# HG changeset patch # User bgruening # Date 1531852633 14400 # Node ID de3c2c88e7100eff388849fd3fef366007c9603c planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 85015046a6d8a9dc0f4b54611986676aceeeadd7 diff -r 000000000000 -r de3c2c88e710 split_file_to_collection.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/split_file_to_collection.py Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,261 @@ +#!/usr/bin/env python + +import argparse +import os +import re +import random +import math + + +""" +regexes that indicate the *beginning* of a record +new file types can be added by appending to this dict, +updating the parser, and adding a new type option in the Galaxy wrapper +""" +FILETYPES = {'fasta': '^>', + 'fastq': '^@', + 'tabular': '^.*', + 'mgf': '^BEGIN IONS'} + + +def main(): + ps = parser_cli() + args = vars(ps.parse_args()) + + # get args and validate + in_file = args["in"] + if not os.path.isfile(args["in"]): + raise FileNotFoundError('Input file does not exist') + + out_dir = args["out_dir"] + if not os.path.isdir(args["out_dir"]): + raise FileNotFoundError('out_dir is not a directory') + + top = args["top"] + if top < 0: + raise ValueError("Number of header lines cannot be negative") + + ftype = args["ftype"] + + if args["ftype"] == "tabular" and args["by"] == "col": + args["match"] = replace_mapped_chars(args["match"]) + args["sub"] = replace_mapped_chars(args["sub"]) + split_by_column(args, in_file, out_dir, top) + + else: + split_by_record(args, in_file, out_dir, top, ftype) + + +def parser_cli(): + parser = argparse.ArgumentParser(description="split a file into multiple files. " + + "Can split on the column of a tabular file, " + + "with custom and useful names based on column value.") + parser.add_argument('--in', '-i', required=True, help="The input file") + parser.add_argument('--out_dir', '-o', default=os.getcwd(), help="The output directory", required=True) + parser.add_argument('--file_names', '-a', help="If not splitting by column, the base name of the new files") + parser.add_argument('--file_ext', '-e', help="If not splitting by column," + + " the extension of the new files (without a period)") + parser.add_argument('--ftype', '-f', help="The type of the file to split", required = True, + choices=["mgf", "fastq", "fasta", "tabular"]) + parser.add_argument('--by', '-b', help="Split by line or by column (tabular only)", + default = "row", choices = ["col", "row"]) + parser.add_argument('--top', '-t', type=int, default=0, help="Number of header lines to carry over to new files. " + + "(tabular only).") + parser.add_argument('--rand', '-r', help="Divide records randomly into new files", action='store_true') + parser.add_argument('--seed', '-x', help="Provide a seed for the random number generator. " + + "If not provided and args[\"rand\"]==True, then date is used", type=int) + parser.add_argument('--numnew', '-n', type=int, default = 1, + help="Number of output files desired. Not valid for splitting on a column") + parser.add_argument('--batch', action='store_true', + help="Distribute files to collection while maintaining order. Ignored if splitting on column.") + + bycol = parser.add_argument_group('If splitting on a column') + bycol.add_argument('--match', '-m', default = "(.*)", help="The regular expression to match id column entries") + bycol.add_argument('--sub', '-s', default = r'\1', + help="The regular expression to substitute in for the matched pattern.") + bycol.add_argument('--id_column', '-c', default="1", + help="Column that is used to name output files. Indexed starting from 1.", type=int) + return parser + + +def close_files(file_list): + # finally, close all files + for open_file in file_list: + open_file.close() + + +def replace_mapped_chars(pattern): + """ + handles special escaped characters when coming from galaxy + """ + mapped_chars = {'\'': '__sq__', '\\': '__backslash__'} + for key, value in mapped_chars.items(): + pattern = pattern.replace(value, key) + return pattern + + +def split_by_record(args, in_file, out_dir, top, ftype): + # get record separator for given filetype + sep = re.compile(FILETYPES[ftype]) + + numnew = args["numnew"] + + # random division + rand = args["rand"] + seed = args["seed"] + if seed: + random.seed(seed) + else: + random.seed() + + # batched division (maintains order) + batch = args["batch"] + # define n_per_file so we don't get a warning about ref before assignment + n_per_file = math.inf + if batch: + # number of records + with open(in_file) as f: + i = 0 + for line in f: + if re.match(sep, line) is not None: + i+=1 + n_records = i + 1 + if top: + n_records -= top # don't count the top lines + + # approx. number of lines per file + n_per_file = n_records // numnew + + # make new files + # strip extension of old file and add number + custom_new_file_name = args["file_names"] + custom_new_file_ext = "." + args["file_ext"] + if custom_new_file_name is None: + new_file_base = os.path.splitext(os.path.basename(in_file)) + else: + new_file_base = [custom_new_file_name, custom_new_file_ext] + + newfiles = [ + open(out_dir + "/" + new_file_base[0] + "_" + str(count) + new_file_base[1], "w") + for count in range(0, numnew) + ] + + # bunch o' counters + # index to list of new files + new_file_counter = 0 + + # used for top + # number of lines read so far + n_read = 0 + # to contain header specified by top + header = "" + # keep track of the files that have been opened so far + fresh_files = {i for i in range(0, numnew)} + + # keep track in loop of number of records in each file + # only used in batch + records_in_file = 0 + + # open file + with open(in_file, "r") as file: + record = "" + for line in file: + n_read += 1 + if n_read <= top: + header += line + continue + # check if beginning of line is record sep + # if beginning of line is record sep, either start record or finish one + if re.match(sep, line) is not None: + # this only happens first time through + if record == "": + record += line + else: + # if is in fresh_files, write header and drop from freshFiles + if new_file_counter in fresh_files: + newfiles[new_file_counter].write(header) + fresh_files.remove(new_file_counter) + + # write record to file + newfiles[new_file_counter].write(record) + + # if not the first time through, we assign the new record + record = line + + # change destination file + if rand: + new_file_counter = int(math.floor(random.random() * numnew)) + elif batch: + # number of records read per file + records_in_file += 1 + # have we reached the max for each file? + # if so, switch file + if records_in_file >= n_per_file: + new_file_counter = (new_file_counter + 1) % numnew + records_in_file = 0 # reset to 0 + else: + new_file_counter = (new_file_counter + 1) % numnew + # if beginning of line is not record sep, we must be inside a record + # so just append + else: + record += line + # after loop, write final record to file + newfiles[new_file_counter].write(record) + # close new files + close_files(newfiles) + + +def split_by_column(args, in_file, out_dir, top): + + # shift to 0-based indexing + id_col = int(args["id_column"]) - 1 + + try: + match = re.compile(args["match"]) + except re.error: + print("ERROR: Match (-m) supplied is not valid regex.") + raise + + sub = args["sub"] + + # set of file names + new_files = dict() + + # keep track of how many lines have been read + n_read = 0 + header = "" + with open(in_file) as file: + for line in file: + # if still in top, save to header + n_read += 1 + if n_read <= top: + header += line + continue + # split into columns, on tab + fields = re.split(r'\t', line.strip('\n')) + + # get id column value + id_col_val = fields[id_col] + + # use regex to get new file name + out_file_name = re.sub(match, sub, id_col_val) + out_file_path = os.path.join(out_dir, out_file_name) + + # write + if out_file_name not in new_files.keys(): + # open file (new, so not already open) + current_new_file = open(out_file_path, "w") + current_new_file.write(header) + current_new_file.write(line) + # add to dict + new_files[out_file_name] = current_new_file + else: + # file is already open, so just write to it + new_files[out_file_name].write(line) + + # finally, close all files + close_files(new_files.values()) + + +if __name__ == "__main__": + main() diff -r 000000000000 -r de3c2c88e710 split_file_to_collection.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/split_file_to_collection.xml Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,289 @@ + + to dataset collection + + + + + + + + + + + + + + + + + + + + + + python + + '$log' + ]]> + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + split_parms['select_ftype'] == "tabular" + + + + split_parms['select_ftype'] == "mgf" + + + + split_parms['select_ftype'] == "fasta" + + + + split_parms['select_ftype'] == "fastq" + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +@misc{githubsplit, + author = {Easterly, Caleb}, + year = {2018}, + title = {split_file_to_collection: a Galaxy tool}, + publisher = {GitHub}, + journal = {GitHub repository}, + url = {https://github.com/galaxyproteomics/tools-galaxyp/tools/split_file_to_collection}, +} + + diff -r 000000000000 -r de3c2c88e710 test-data/batch_tab_0.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/batch_tab_0.tabular Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,4 @@ +#This is a file +#file data +foo.mgf bar +foo2.mgf bar2 diff -r 000000000000 -r de3c2c88e710 test-data/batch_tab_1.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/batch_tab_1.tabular Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,4 @@ +#This is a file +#file data +foo3.mgf bar3 +foo.mgf bar4 diff -r 000000000000 -r de3c2c88e710 test-data/demo758Dacentroid.mgf --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/demo758Dacentroid.mgf Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,1041 @@ +BEGIN IONS +TITLE=scan=986 profile data +RTINSECONDS=297.916 +PEPMASS=758.571517944336 12066.720502853394 +CHARGE=1+ +37.05708507 1.0 +38.08264425 1.0 +42.1891818 1.0 +46.14368796 1.0 +48.07514101 1.0 +48.40614326 1.0 +49.33508131 2.0 +50.54946907 1.0 +52.6205571 1.0 +56.00151781 1.0 +57.0870461 1.0 +58.30777063 1.0 +60.39263327 1.0 +61.56610754 1.0 +62.39865419 1.0 +63.99422731 1.0 +64.03597531 1.0 +64.5380131 1.0 +65.52825667 1.0 +66.15204831 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+212.7256813 1.0 +219.5218692 30.0 +219.5373314 5.0 +220.9983775 1.0 +222.5369126 1.0 +226.7076635 1.0 +227.787901 1.0 +227.8614084 1.0 +232.3783878 1.0 +232.9408182 5.0 +257.2437034 1.0 +268.4205851 2.0 +274.2709535 1.0 +275.5224984 1.0 +277.083698 1.0 +277.6282618 1.0 +280.5338624 1.0 +289.004242 1.0 +290.5201142 1.0 +291.5526969 1.0 +292.3669962 1.0 +292.837072 1.0 +299.9395434 1.0 +300.6629156 1.0 +301.1215018 1.0 +304.4202865 5.0 +307.2368586 1.0 +313.2659073 120.0 +313.2905351 44.0 +313.3397938 11.0 +313.3828983 2.0 +333.1886927 1.0 +333.7667574 1.0 +346.7339992 1.0 +347.900909 1.0 +348.0112184 1.0 +355.0483988 1.0 +361.0050763 1.0 +368.7460158 1.0 +369.0399867 1.0 +378.7999658 1.0 +379.1656488 1.0 +379.687391 1.0 +385.2385454 1.0 +392.1652496 1.0 +392.5717868 1.0 +394.4279899 1.0 +394.9532122 1.0 +413.5207801 1.0 +413.7896263 1.0 +416.9302525 1.0 +418.5156926 1.0 +423.2685945 1.0 +425.3465631 1.0 +430.9391654 1.0 +434.8836997 1.0 +437.1426706 1.0 +443.5077112 1.0 +445.5098919 1.0 +446.347302 1.0 +447.722651 1.0 +449.4245325 1.0 +449.9630279 1.0 +458.7792544 1.0 +471.6538918 1.0 +485.9404752 2.0 +495.9137427 10.0 +495.9292358 2.0 +504.3464519 47.0 +504.3777005 16.0 +504.3933252 10.0 +522.3549152 1.0 +523.2695983 1.0 +542.7113937 1.0 +544.1223564 1.0 +548.6269323 1.0 +562.2933137 2.0 +567.2782288 1.0 +568.6460936 1.0 +568.9281613 1.0 +573.8756678 2.0 +579.0287286 1.0 +579.8995841 1.0 +584.5411814 1.0 +585.4835048 1.0 +602.7458921 1.0 +610.0097083 1.0 +611.5915635 1.0 +613.1668534 1.0 +622.956299 1.0 +625.6680787 1.0 +631.7473992 1.0 +639.3417041 2.0 +653.9634901 1.0 +657.8655703 1.0 +662.2357148 1.0 +662.9251745 1.0 +667.1593117 1.0 +685.2956588 1.0 +696.7440527 1.0 +696.8634233 1.0 +714.2710857 2.0 +725.7143418 1.0 +727.3927023 1.0 +758.4902225 40.0 +758.5285437 16.0 +758.5668659 284.0 +758.643513 36.0 +758.9022259 26.0 +758.9980566 2.0 +759.3718544 51.0 +759.5635813 144.0 +759.6211041 10.0 +759.6594538 23.0 +760.2060426 16.0 +760.2252247 4.0 +760.6185116 4.0 +769.5667261 1.0 +777.0732402 1.0 +784.3044168 1.0 +791.9606048 1.0 +806.5940053 1.0 +823.9554289 1.0 +833.3881817 1.0 +835.2570465 1.0 +838.2958981 1.0 +839.6964291 1.0 +840.2710856 1.0 +842.3596489 1.0 +864.3796032 1.0 +867.2762797 1.0 +880.7583746 1.0 +881.1610364 1.0 +881.8839936 1.0 +887.1083977 1.0 +902.4561422 1.0 +911.6439447 1.0 +921.2688933 1.0 +921.3533611 1.0 +921.7546358 1.0 +923.5297393 1.0 +930.5729479 1.0 +937.2488424 1.0 +938.2821191 1.0 +938.9215443 1.0 +948.9354938 1.0 +973.383205 1.0 +984.8337738 1.0 +986.6795085 1.0 +989.9164383 1.0 +990.474688 1.0 +996.2854206 1.0 +1025.917093 1.0 +1029.195386 1.0 +1048.524363 1.0 +1050.676863 1.0 +1057.498248 1.0 +1082.290631 1.0 +1084.592055 1.0 +1122.79606 1.0 +1127.054519 1.0 +1133.943388 1.0 +1136.146631 1.0 +1153.81411 1.0 +1177.519128 1.0 +1183.518947 1.0 +1190.650031 1.0 +1191.526413 1.0 +1191.898672 1.0 +END IONS diff -r 000000000000 -r de3c2c88e710 test-data/fasta_batch_0.fasta --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/fasta_batch_0.fasta Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,6 @@ +>seq1 +PROTEIN0 +>seq2 +PROTEIN +>seq3 +ANOTHERPROTEIN diff -r 000000000000 -r de3c2c88e710 test-data/fasta_batch_1.fasta --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/fasta_batch_1.fasta Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,8 @@ +>seq4 +ASFWEFOIN +>seq5 +DUNEDIN +FELLOWSHIP +NAZGUL +>seq6 +NOTAPROTEIN diff -r 000000000000 -r de3c2c88e710 test-data/file1.tab --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/file1.tab Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,53 @@ + Protein(s) Sequence AAs Before AAs After Position Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Localization Confidence Probabilistic PTM score D-score Confidence [%] Validation +290 aact1954_c_51_2237, aact_c_1_381, aact_c_1_625, hhae2076_c_35_2415, hhae2076_c_48_2527, hhae2076_c_50_2535, hinf_c_1_1270, hot851_c_32_1760, hpar1239_c_1_453, hpar_c_26_2006 ILELANHLDTYIPEPER EK; EK; EK; EK; EK; EK; EK; EK; EK; EK AI; AI; AI; AI; AI; AI; AI; AI; AI; AI 188; 189; 189; 189; 189; 136; 189; 189; 189; 162 NH2-ILELANHLDTYIPEPER-COOH NA file1.mgf NA 3531.2049 1012.03259277344 2+ 2+ 2022.04220566365 0 4.16339589573139 100 Doubtful +952 NCBIABZW_c_1_1765, NCBIACFE_c_3_1141, NCBIACIK_c_3_1174, agem_c_25_1303, amin_c_3_1453, aomn_c_21_1471, aot199_c_2_1386, aot810_c_19_1178, aoti_c_21_1564, apar_c_1_190, apre_c_1_353, atet_c_26_1636, avag_c_1_488, bot274_c_2_449, ccurt_c_1_995, cot876_c_9_1574, dinv_c_1_735, dmic_c_17_1155, elen_c_1_956, elim_c_1_1015, eton_c_4_1650, eyur_c_18_1215, falo_c_1_1561, lgas_c_1_227, llac1719_c_1_1649, llac_c_1_1622, mmic_c_17_1645, oot809_c_1_190, opro_c_4_727, ouli_c_1_201, pden2021_c_1_660, pden_c_1_144, plac2505_c_1_224, plac_c_5_667, pot192_c_1_101, pot786_c_27_1616, pot836_c_4_394, saga_c_1_980, sang2334_c_4_518, sang_c_65_1793, saus_c_1_473, scon_c_4_1863, scri_c_1_88, sdow_c_2_674, sexi_c_2_767, sgor_c_1_1119, sinf_c_2_522, sinfantis_c_7_1791, sint2361_c_1_968, sint_c_7_1733, smit1067_c_1_1339, smit1998_c_1_334, smit2_c_3_376, smit_c_1_736, smut_c_1_979, soli_c_1_916, sora2005_c_1_1065, sora_c_2_492, sot056_c_1_137, sot058_c_1_77, sot066_c_4_1684, sot066_c_4_1687, sot070_c_1_557, sot071_c_13_1894, spar_c_11_1951, spara_c_1_496, sper_c_2_396, spne_c_1_1459, spyo1356_c_1_1018, spyo_c_1_953, ssal_c_16_1859, ssan_c_1_1127, ssob_c_76_1349, sves_c_2_1296, swig_c_1_297, tden_c_1_1683, vaty_c_3_446, vot158_c_1_258, vot780_c_1_155, vpardsm_c_1_187 QPFPGPGIAIR WR; YR; WR; WR; YR; WR; YR; YR; WR; YR; WR; WR; YR; WR; HR; WR; NR; NR; HR; WR; NR; HR; WR; WR; WR; WR; WR; YR; YR; WR; WR; WR; DR; DR; WR; WR; DR; WR; WR; WR; WR; WR; WR; WR; HR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; HR; WR; WR; WR; WR II; II; VM; VM; II; IV; II; II; VL; II; VI; VI; II; II; II; VL; II; IV; II; VM; IL; VM; VM; VL; VL; VL; VM; II; II; II; II; II; IM; IM; VI; VL; IM; VM; VM; VM; VM; IM; VM; VM; II; VM; VM; VM; IM; IM; VM; VM; VM; VM; VM; VM; VM; VM; VM; IM; VM; VM; VM; VM; VM; VM; VM; VM; VM; VM; VM; VM; VM; VM; II; IM; VM; VM; VM; VM 392; 397; 387; 387; 402; 395; 397; 395; 394; 394; 386; 386; 403; 387; 395; 385; 387; 387; 400; 388; 386; 385; 386; 393; 389; 389; 387; 395; 395; 394; 395; 388; 380; 380; 390; 388; 380; 396; 395; 395; 397; 395; 395; 393; 395; 394; 396; 396; 395; 395; 396; 396; 396; 396; 393; 395; 396; 396; 394; 396; 34; 397; 396; 396; 397; 397; 396; 396; 396; 396; 396; 396; 393; 396; 395; 402; 387; 387; 320; 387 NH2-QPFPGPGIAIR-COOH NA file1.mgf NA 2999.9615 576.825256347656 2+ 2+ 1151.64512785223 0 -7.94696277832691 100 Doubtful +513 fnuc420_c_5_1120, fnucp_c_1_320, fot370_c_39_1069 IADAPLVEGLIAGVAVNDEK IK; IK; IK AD; AD; AD 94; 94; 94 NH2-IADAPLVEGLIAGVAVNDEK-COOH NA file1.mgf NA 4459.3129 665.36767578125 3+ 3+ 1993.07317143876 0 4.02110347944937 100 Doubtful +914 gadi_c_7_1297, gele_c_8_1129 NWVVIDATDVPLGR ER; ER LS; LS 15; 15 NH2-NWVVIDATDVPLGR-COOH NA file1.mgf NA 3760.3681 777.919799804688 2+ 2+ 1553.82019166173 0 3.12052037560668 100 Doubtful +657 fnuc2539_c_1_1682, fnuc420_c_4_894, fnuc_c_1_2009, fnuc_c_1_427, fnucp_c_10_2292, fnucv_c_1_39, fnucv_c_70_1442 LQAYVTQAINTDKR YK; YK; YK; YK; YK; YK; YK DL; DL; DL; DL; DL; DL; DL 939; 994; 945; 943; 985; 944; 978 NH2-LQAYVTQAINTDKR-COOH NA file1.mgf NA 2188.3115 810.94091796875 2+ 2+ 1619.86311910287 0 2.56733357720634 100 Doubtful +754 NCBIACIK_c_3_1102, vaty_c_3_379, vot158_c_1_332, vpardsm_c_1_111 TIFIVGFDGTADADK GK; GK; GK; GK AV; AV; AV; AV 238; 238; 238; 239 NH2-TIFIVGFDGTADADK-COOH NA file1.mgf NA 3598.3863 785.397705078125 2+ 2+ 1568.7722384098 0 5.48693996741914 100 Doubtful +374 fnuc420_c_18_2182, fnuc_c_1_1018, fnucv_c_5_226 LIELVEKEYLR EK; EK; EK ND; SD; ND 5; 5; 5 NH2-LIELVEKEYLR-COOH NA file1.mgf NA 3050.9102 702.909973144531 2+ 2+ 1403.80241633927 0 2.11764136624824 100 Doubtful +307 fnuc420_c_2_531, fnuc_c_1_1213, fnucp_c_3_1248, fnucv_c_17_557, fot370_c_92_1709, fper2555_c_1_277, fper_c_1_14 THELEKVEER FK; FK; FK; FK; FK; FK; FK VM; VM; VM; VM; VM; VM; VM 32; 32; 32; 32; 32; 32; 32 NH2-THELEKVEER-COOH NA file1.mgf NA 1026.3228 635.325134277344 2+ 2+ 1268.63607929016 0 -0.286206993088009 100 Doubtful +352 vpar1_c_285_506, vpardsm_c_1_230 FVIPSDVNVSR DR; DR EG; EG 56; 445 NH2-FVIPSDVNVSR-COOH NA file1.mgf NA 2829.1965 616.836364746094 2+ 2+ 1231.65608645875 0 1.69421217207148 100 Doubtful +876 fnucp_c_8_2168, fnucv_c_20_656 ENNFEATDEELSQR AK; AK ME; ME 366; 366 NH2-ENNFEATDEELSQR-COOH NA file1.mgf NA 2194.1725 841.370849609375 2+ 2+ 1680.72272201808 0 2.62920843984891 100 Doubtful +766 fnucp_c_1_83, fnucv_c_19_633 VDDEVEGTVTK FK; FK VL; VL 561; 561 NH2-VDDEVEGTVTK-COOH NA file1.mgf NA 1354.1092 596.29052734375 2+ 2+ 1190.56666231766 0 -0.134635513619003 100 Doubtful +860 fnuc420_c_9_1512, fnuc_c_1_1069, fnucp_c_3_1436, fnucv_c_120_1899, fper2555_c_4_949, fper_c_25_1600 LLNKHPDVPIYTAK AK; AR; AK; AK; AK; AK ID; ID; ID; ID; ID; ID 168; 168; 168; 168; 168; 168 NH2-LLNKHPDVPIYTAK-COOH NA file1.mgf NA 2090.0297 804.961120605469 2+ 2+ 1607.90352736287 0 2.58455041570009 100 Doubtful +244 aaph_c_1_1206, aot458_c_10_822, aseg_c_1_69 EAIEDAGLTEEQVSNER MK; MK; MK TG; TG; TG 81; 81; 81 NH2-EAIEDAGLTEEQVSNER-COOH NA file1.mgf NA 2251.8539 945.441711425781 2+ 2+ 1888.86502914732 0 2.03120846724912 100 Doubtful +933 aact1954_c_19_1763, aact_c_1_382, aaph_c_1_1511, aot458_c_28_1509, aseg_c_4_1165, haeg_c_23_1773, hhae2076_c_35_2416, hinf_c_1_1269, hot851_c_18_1647, hpar1239_c_1_454, hpar_c_7_1363 IDAEVPLSEMFGYATDLR VK; VK; VK; VK; VK; VK; VK; VK; VK; VK; VK SQ; SQ; SQ; SQ; SQ; SQ; SQ; SQ; SQ; SQ; SQ 650; 650; 650; 650; 650; 650; 650; 463; 650; 650; 650 NH2-IDAEVPLSEMFGYATDLR-COOH Oxidation of M(10) NA file1.mgf NA 3701.4261 1021.99255371094 2+ 2+ 2041.96665776489 0 1.90643795606016 Oxidation of M (10: Very Confident) Oxidation of M (10: 100.0) Oxidation of M (10: 100.0) 100 Doubtful +299 fgon2550_c_6_525, fgon_c_3_366, fnec_c_16_2958, fnuc420_c_10_1653, fnuc_c_1_417, fnucp_c_6_2058, fnucv_c_1_29, fot370_c_96_1736, fper2555_c_2_491, fper_c_14_1154, pind_c_3_137 VFTIPSNGHFDTTEGNIK GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK QM; QM; QM; QM; QM; QM; QM; QM; QM; QM; QM 171; 171; 171; 171; 171; 171; 122; 171; 171; 171; 171 NH2-VFTIPSNGHFDTTEGNIK-COOH NA file1.mgf NA 2822.1927 988.991027832031 2+ 2+ 1975.96395534295 0 1.79344086545884 100 Doubtful +859 gadi_c_1_171 SQTNTNSPQKR KK GV 34 NH2-SQTNTNSPQKR-COOH NA file1.mgf NA 95.716 630.81591796875 2+ 2+ 1259.62182620835 0 -3.60104111576112 100 Doubtful +779 fnuc2539_c_1_230, fnuc420_c_11_1764, fnucp_c_1_122 TPANEITDDDFDR GK; GK; GK FT; FT; FV 88; 88; 88 NH2-TPANEITDDDFDR-COOH NA file1.mgf NA 2209.9102 754.830993652344 2+ 2+ 1507.64268079223 0 3.14878021799919 100 Doubtful +270 fnuc420_c_16_2108 VANTNADWFNIRGEK VK ED 2302 NH2-VANTNADWFNIRGEK-COOH NA file1.mgf NA 2797.4694 867.932373046875 2+ 2+ 1733.84853166789 0 0.957156270178894 100 Doubtful +819 sang2334_c_18_1564, sang_c_23_1033, saus_c_1_564, scon_c_1_621, scri_c_3_722, sdow_c_1_78, sgor_c_1_1248, sinf_c_3_947, sinfantis_c_1_469, sint2361_c_1_1046, smit1067_c_1_1444, smit1998_c_1_91, smit2_c_7_852, smit_c_1_388, smut_c_1_1123, soli_c_1_537, sora2005_c_1_1337, sora_c_6_1240, sot056_c_1_463, sot058_c_10_1154, sot066_c_4_1589, sot070_c_1_310, sot071_c_1_114, spar_c_4_889, spara_c_1_420, sper_c_3_749, spne_c_1_670, spyo1356_c_1_755, spyo_c_1_719, ssal1367_c_1_957, ssal_c_3_808, ssan_c_1_1202, ssob_c_103_1621, sves_c_2_1226 DHGAGNQIEGR PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK VK; VK; VP; VK; VA; VA; VA; VR; VA; VK; VA; VA; VA; VA; VT; VA; VA; VA; VA; VA; VP; VA; VA; VP; VP; VP; VA; VL; VL; VV; VV; VA; VA; VV 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101 NH2-DHGAGNQIEGR-COOH NA file1.mgf NA 875.716 577.272033691406 2+ 2+ 1152.52719754752 0 2.00677166216744 100 Doubtful +385 saga_c_1_555, sang2334_c_19_1587, sang_c_5_288, saus_c_4_1077, scri_c_15_1768, sdow_c_1_356, sgor_c_1_673, sinfantis_c_2_1328, sint2361_c_1_457, smit1067_c_1_599, smit1998_c_3_1033, smit2_c_18_1509, smit_c_1_1524, smut_c_1_507, soli_c_1_1513, sora2005_c_1_514, sot056_c_1_657, sot058_c_2_287, sot066_c_3_1052, sot070_c_2_978, sot071_c_3_795, spar_c_3_791, spara_c_1_62, sper_c_14_1627, spne_c_1_1658, spyo1356_c_1_1250, spyo_c_1_1170, ssal1367_c_1_1234, ssal_c_6_1278, ssan_c_1_638, ssob_c_127_1818, sves_c_1_659 TPLLEALSEADNVLR KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 186; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178 NH2-TPLLEALSEADNVLR-COOH NA file1.mgf NA 4592.5182 820.954040527344 2+ 2+ 1639.87810046067 0 9.39626616976252 100 Doubtful +786 aaph_c_1_35, aot458_c_14_1059, aseg_c_2_710, hpar1239_c_1_79 ALDHLNNALQAK LR; LR; LR; LR AK; AK; AK; AK 216; 198; 195; 212 NH2-ALDHLNNALQAK-COOH NA file1.mgf NA 1936.2476 654.357849121094 2+ 2+ 1306.69934825306 0 1.37314618708726 100 Doubtful +348 aseg_c_3_783, hhae2076_c_9_1256 TILVSHLQQSGR AK; AK FS; FS 75; 75 NH2-TILVSHLQQSGR-COOH NA file1.mgf NA 1898.9028 669.879821777344 2+ 2+ 1337.74154741821 0 2.64466260150176 100 Doubtful +810 aact1954_c_35_2173, aaph_c_1_2076, aot458_c_3_351, aseg_c_2_459, haeg_c_7_978, hduc_c_1_1670, hhae2076_c_7_1024, hinf_c_1_1481, hpar1239_c_1_701 HIYAQVIAPNGSEVLAAASTVEK PR; PR; PR; PR; PR; PR; PR; PR; PR AI; AI; AI; AI; AI; VI; AI; AI; AI 34; 34; 34; 34; 34; 34; 34; 34; 34 NH2-HIYAQVIAPNGSEVLAAASTVEK-COOH NA file1.mgf NA 3400.7193 790.090881347656 3+ 3+ 2367.24342465134 0 3.1177907954559 100 Doubtful +762 fnuc2539_c_1_48, fnuc420_c_7_1315, fnuc_c_1_652, fnucp_c_5_1819, fnucv_c_142_2049, fnucv_c_278_2420 AILANNADWLR DK; DK; DK; DK; DK; DK NL; NL; NL; NL; NL; NL 117; 117; 117; 117; 117; 24 NH2-AILANNADWLR-COOH NA file1.mgf NA 3156.6812 628.841674804688 2+ 2+ 1255.66731984879 0 1.17424524720211 100 Doubtful +24 sgor_c_1_1974, sot056_c_1_1343 KQAAEAVKDEAER TK; TK AG; AG 74; 74 NH2-KQAAEAVKDEAER-COOH NA file1.mgf NA 968.2836 722.874450683594 2+ 2+ 1443.73177058015 0 1.783060673411 100 Doubtful +536 saus_c_6_1337, scri_c_10_1478, sgor_c_1_350, smit1067_c_1_543, smit2_c_22_1667, smit_c_1_1238, soli_c_1_304, sora2005_c_1_445, sora_c_8_1433, sot056_c_1_1589, sot058_c_3_554, sot066_c_2_804, sot070_c_2_1028, sot071_c_3_744, spara_c_1_1783, sper_c_1_252, spne_c_1_1761, ssan_c_1_1996 TPLESAMIIGADISTDKPLR SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; AT 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557 NH2-TPLESAMIIGADISTDKPLR-COOH NA file1.mgf NA 4031.505 710.050964355469 3+ 3+ 2127.12455538862 0 3.05531929519281 100 Doubtful +424 NCBIACDZ_c_5_1361, cmor_c_1_80, gber_c_76_1496, ghae2070_c_26_1735, gmor_c_3_528, sang2334_c_34_2154, sang_c_1_37, scon_c_2_1225, scri_c_5_988, sgor_c_1_1792, sinfantis_c_10_1888, sint2361_c_1_1596, sint_c_2_599, smit1067_c_1_612, smit1998_c_7_1558, smit2_c_12_1207, smit_c_1_1454, smut_c_1_169, soli_c_1_1984, sora2005_c_1_1432, sora_c_5_1045, sot056_c_1_968, sot058_c_5_796, sot071_c_1_198, sper_c_2_417, spne_c_1_1643, ssan_c_1_257 VVATNSIIADITK LK; LK; LK; LK; LK; LN; LN; LN; LN; LN; LK; LN; LN; LK; LK; LK; LK; LT; LN; LK; LK; LN; LK; LK; LK; LK; LK NI; NI; NI; NI; NI; NI; NI; IS; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI 42; 31; 41; 42; 40; 35; 35; 36; 36; 36; 36; 36; 35; 35; 36; 36; 35; 32; 36; 35; 35; 36; 35; 35; 35; 35; 35 NH2-VVATNSIIADITK-COOH NA file1.mgf NA 3408.9991 672.891418457031 2+ 2+ 1343.76603083055 0 1.67423272021282 100 Doubtful +592 fnuc2539_c_1_102, fnuc420_c_20_2223 IIDFSELDYR AR; AR IK; IK 88; 88 NH2-IIDFSELDYR-COOH NA file1.mgf NA 3380.8067 635.819274902344 2+ 2+ 1269.62411762413 0 -0.0949586302368065 100 Doubtful +248 fnuc_c_1_114, fnucp_c_1_234, fnucv_c_7_273 KALESHDGDIEK CK; CK; CK SI; SI; SI 28; 25; 25 NH2-KALESHDGDIEK-COOH NA file1.mgf NA 912.2253 671.336791992188 2+ 2+ 1340.65720865756 0 1.3572886864026 100 Doubtful +637 NCBIACIK_c_19_1963, NCBIACIK_c_1_427, NCBIACIK_c_1_445, cper_c_29_2074, dinv_c_1_1633, dinv_c_1_911, eyur_c_1_64, lcat_c_5_859, lgas_c_1_1165, line_c_2_650, ljoh_c_1_885, mot131_c_1_73, paci_c_3_464, sart2584_c_1_432, sflu_c_2_436, sinfelix_c_1_194, sot133_c_2_999, sot137_c_1_321, sot138_c_4_356, sot892_c_12_1408, ssat_c_3_1588, vaty_c_17_1364, vaty_c_27_1678, vot158_c_2_758, vot158_c_2_775, vpardsm_c_1_1517 DTDKPFLMPVEDVFTITGR VR; VR; VR; TR; QR; QR; VR; VR; ER; VR; ER; KR; QR; VR; TR; TR; VR; VR; TR; TR; QR; VR; VR; VR; VR; VR GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT 134; 206; 206; 206; 206; 206; 208; 206; 207; 207; 207; 208; 208; 206; 206; 206; 206; 206; 206; 206; 223; 206; 206; 206; 115; 206 NH2-DTDKPFLMPVEDVFTITGR-COOH Oxidation of M(8) NA file1.mgf NA 4317.6731 733.034545898438 3+ 3+ 2196.07727084303 0 2.06332304298544 Oxidation of M (8: Very Confident) Oxidation of M (8: 100.0) Oxidation of M (8: 100.0) 100 Doubtful +12 fnuc2539_c_1_1602, fnuc420_c_9_1485, fnucp_c_3_1461, fper2555_c_11_1505, fper_c_33_1828, tmal_c_2_1958 NLMTAFAGESQAR EK; EK; EK; EK; EK; EQ NK; TK; NK; NK; NK; TK 11; 11; 11; 11; 11; 12 NH2-NLMTAFAGESQAR-COOH Oxidation of M(3) NA file1.mgf NA 2215.6608 706.337158203125 2+ 2+ 1410.65616311174 0 2.54862003194629 Oxidation of M (3: Very Confident) Oxidation of M (3: 100.0) Oxidation of M (3: 100.0) 100 Doubtful +454 fnuc_c_1_1144, fnucp_c_3_1306, fnucv_c_16_524 MEAEEVDEFR QK; QK; QK YE; YE; YE 40; 41; 41 NH2-MEAEEVDEFR-COOH NA file1.mgf NA 2230.7278 627.770690917969 2+ 2+ 1253.52341760669 0 2.71699916966162 100 Doubtful +765 fnuc420_c_2_488, fnucp_c_2_1187, fnucv_c_238_2346 AQIEETTSDYDK IK; IK; IK EK; EK; EK 349; 349; 289 NH2-AQIEETTSDYDK-COOH NA file1.mgf NA 1439.5054 700.314880371094 2+ 2+ 1398.61506906206 0 0.0990600951183549 100 Doubtful +567 lmon1053_c_1_1419, sgor_c_1_424, sinfantis_c_1_295, smit1998_c_2_872, smit2_c_11_1136, sora2005_c_1_1547, sora_c_4_936, sot056_c_1_1647, spar_c_2_568, ssan_c_1_1940 DIDEEVETLDELKEK AK; AK; AK; AK; AK; AK; AK; AK; AK; AK IS; YR; YR; YR; YR; YR; YR; YR; YR; YR 257; 257; 257; 257; 257; 257; 257; 257; 257; 257 NH2-DIDEEVETLDELKEK-COOH NA file1.mgf NA 3212.3134 902.939331054688 2+ 2+ 1803.86256953583 0 0.852571806721249 100 Doubtful +208 NCBIACIK_c_4_1477, vaty_c_2_257, vot158_c_2_485, vot780_c_1_55, vpar1_c_67_133, vpardsm_c_1_1255 TNPLIGSAGVSAVPMAAR GK; GK; GK; GK; GK; GK VS; VS; VS; VS; VS; VS 312; 312; 312; 312; 308; 312 NH2-TNPLIGSAGVSAVPMAAR-COOH Oxidation of M(15) NA file1.mgf NA 2734.3069 864.461669921875 2+ 2+ 1726.90360401586 0 2.99776727123364 Oxidation of M (15: Very Confident) Oxidation of M (15: 100.0) Oxidation of M (15: 100.0) 100 Doubtful +910 vpardsm_c_1_44, vpardsm_c_1_48, vpardsm_c_1_50 SWYIVSHR RR; RR; RR YK; YK; YK 99; 99; 99 NH2-SWYIVSHR-COOH NA file1.mgf NA 2270.9731 524.273254394531 2+ 2+ 1046.52976374682 0 2.09062085676229 100 Doubtful +312 fnucp_c_1_738 RYSNEDVKEEDLNK CR IL 15 NH2-RYSNEDVKEEDLNK-COOH NA file1.mgf NA 1192.9988 869.915466308594 2+ 2+ 1737.81695675609 0 -0.331682995350616 100 Doubtful +186 fper2555_c_7_1237, fper_c_16_1269 YDLVVVGGGPAGLAAAVEAK MK; MK KN; KN 5; 5 NH2-YDLVVVGGGPAGLAAAVEAK-COOH NA file1.mgf NA 3928.6299 929.0126953125 2+ 2+ 1856.00436360295 0 3.48440393559675 100 Doubtful +409 aact1954_c_3_528, aact_c_1_1268, aaph_c_1_426, aot458_c_34_1643, aseg_c_9_1707, hpar1239_c_1_132, hpar_c_3_763 LPQLSVFGSDYDTHDGTGVR GK; GK; GK; GK; GK; GK; GK DY; DY; DY; DY; DY; DY; DY 212; 212; 212; 212; 212; 212; 212 NH2-LPQLSVFGSDYDTHDGTGVR-COOH NA file1.mgf NA 3297.9102 722.015625 3+ 3+ 2163.02326112422 0 0.823840349223283 100 Doubtful +827 ecas_c_2_295, edur2534_c_15_2012, edur_c_2_823, esac_c_10_1720, saga_c_1_809, sang_c_47_1598, saus_c_1_38, scri_c_1_357, sdow_c_1_265, sgor_c_1_758, sinf_c_1_199, sinfantis_c_5_1556, sint2361_c_1_683, smit1067_c_1_907, smit1998_c_1_320, smit2_c_2_366, smit_c_1_512, smut_c_1_658, soli_c_1_1399, sora_c_2_489, sot066_c_1_63, sot070_c_1_554, sot071_c_4_982, spara_c_1_854, sper_c_6_1127, spne_c_1_1500, spyo1356_c_1_495, spyo_c_1_529, ssal1367_c_1_1523, ssal_c_2_644, ssan_c_1_1478, ssob_c_102_1612, sves_c_3_1443 AVVTGVEMFRK QK; QK; QK; QK; QK; QK; QK; QK; QK; QK; QK; SK; QK; QK; SK; QK; QK; QK; QK; QK; QK; QK; KK; QK; QK; QK; KK; KK; QK; QK; QK; QK; QK TM; TL; TL; TM; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL 255; 255; 255; 255; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 275; 275; 258; 258; 258; 258; 258 NH2-AVVTGVEMFRK-COOH NA file1.mgf NA 2419.6397 618.842895507813 2+ 2+ 1235.66962834791 0 1.30060165255557 100 Doubtful +90 vpardsm_c_1_1047 AQVEETSSDFDREK IR LQ 349 NH2-AQVEETSSDFDREK-COOH NA file1.mgf NA 1385.6433 820.874572753906 2+ 2+ 1639.73255842579 0 1.2390144519019 100 Doubtful +638 fnuc_c_1_1052, fnucp_c_3_1450, fnucv_c_60_1324 IEELESYGIKPFGK KK; KK; KK KY; KY; KY 21; 21; 21 NH2-IEELESYGIKPFGK-COOH NA file1.mgf NA 3018.3151 537.287841796875 3+ 3+ 1608.8399240468 0 1.09931474265704 100 Doubtful +392 aact1954_c_15_1548, aact_c_1_651, aaph_c_1_1528, aot458_c_5_484, aseg_c_7_1480, hhae2076_c_6_920, hot851_c_5_726, hpar1239_c_1_371, hpar_c_4_995, pmir1289_c_1_3008 ADGSVDFDDGSKTENTR VR; VR; VR; VR; VR; VR; VR; VR; VR; VL VS; VS; VS; VS; VS; VS; VS; VS; VS; VS 315; 315; 315; 315; 315; 315; 315; 315; 315; 316 NH2-ADGSVDFDDGSKTENTR-COOH NA file1.mgf NA 1415.1195 605.266784667969 3+ 3+ 1812.77621414292 0 1.27242154410467 100 Doubtful +718 ecas2549_c_1_267, ecas_c_5_917, edur2534_c_7_1088, efae1080_c_1_170, esac_c_5_1141, saga_c_1_1292, saur1312_c_1_128, saus_c_1_576, scap_c_12_1821, sepi1324_c_1_1687, sepi_c_22_1474, sgor_c_1_1259, sinf_c_3_919, sinfantis_c_5_1606, smit1067_c_1_858, smit1998_c_1_272, smit2_c_2_304, smit_c_1_1486, soli_c_1_513, sora2005_c_1_1121, sot056_c_1_468, sot058_c_1_21, sot066_c_4_1577, sot070_c_1_503, spar_c_4_902, spara_c_1_407, sper_c_6_1173, spne_c_1_792, spyo1356_c_1_747, spyo_c_1_711, ssal1367_c_1_886, ssal_c_3_714, ssan_c_1_1222, sves_c_2_1133, swar_c_8_1426 IIARPYVGEPGNFT GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT 191; 191; 191; 191; 191; 203; 194; 203; 194; 194; 194; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 194 NH2-IIARPYVGEPGNFT-COOH NA file1.mgf NA 2764.3174 767.406066894531 2+ 2+ 1532.79872794116 0 -0.747378027423135 100 Doubtful +222 sgor_c_1_1259 IGLGNIERPVPLK AK TV 56 NH2-IGLGNIERPVPLK-COOH NA file1.mgf NA 2848.9136 703.430358886719 2+ 2+ 1404.84528421076 0 0.625953652526985 100 Doubtful +683 bot272_c_15_1813, bpyo_c_2_301, cot329_c_19_2762, pbar_c_12_1943, pbiv2380_c_1_591, pbue_c_20_868, pbus_c_5_644, pfus_c_11_1555, phis_c_13_1911, pint2554_c_4_928, pmel_c_34_1529, pmulx_c_7_2247, pnig_c_2_331, pori2510_c_17_2191, pot299_c_7_1653, pot302_c_17_1682, pot306_c_11_1442, poul2684_c_22_1641, pple_c_7_1031, psac_c_53_1787, psal_c_1_105, psco_c_8_761, ptan_c_1_377, pver2688_c_13_1760 IGMTSVFSADGK KK; KK; KK; RK; KK; RK; RK; KK; KK; KK; KK; RK; KK; KK; RK; KK; KK; KK; RK; KK; KK; KK; KK; KK NV; NV; NV; NV; NV; NV; NI; NV; NV; NV; NV; NV; NV; NV; NI; NV; NV; NV; NI; NV; NV; NV; NI; NV 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9 NH2-IGMTSVFSADGK-COOH NA file1.mgf NA 2818.1738 606.800964355469 2+ 2+ 1211.58562394043 0 1.44350414310133 100 Doubtful +317 NCBIABWM_c_9_2966, aact1954_c_13_1423, aaph_c_1_1906, aot458_c_17_1189, aseg_c_10_1785, ecan2604_c_5_3961, ecol_c_1_3601, ehor_c_8_1690, esak_c_1_3710, falo_c_1_849, haeg_c_5_763, hhae2076_c_26_2208, hinf_c_1_1119, hot851_c_11_1293, hpar1239_c_1_572, hpar_c_7_1476, kpne1249_c_1_5306, kpne_c_1_4892, lbuc_c_1_678, lhof2581_c_3_1199, lot215_c_6_769, lot879_c_10_653, lsha_c_13_1992, lwad_c_20_1683, pmir1289_c_1_3059, ypes1054_c_1_4288 QIASLGIYPAVDPLDSTSR SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR QL; QL; QL; QL; QL; QL; QL; QL; QL; IL; QL; QL; QL; QL; QL; QL; QL; QL; IL; IL; IL; IL; IL; IL; QL; QL 325; 322; 322; 322; 322; 325; 325; 325; 325; 329; 322; 322; 322; 322; 322; 322; 325; 325; 327; 327; 327; 327; 327; 327; 325; 325 NH2-QIASLGIYPAVDPLDSTSR-COOH NA file1.mgf NA 3803.7238 1002.02740478516 2+ 2+ 2002.03712028321 0 1.56500629190384 100 Doubtful +842 hpar_c_3_810 EQLTEVEDQEIAK SR LV 37 NH2-EQLTEVEDQEIAK-COOH NA file1.mgf NA 2170.1834 766.379638671875 2+ 2+ 1530.74133220434 0 2.21314158255407 100 Doubtful +128 fnuc2539_c_1_832, fnuc420_c_1_196, fnucp_c_1_703, fnucv_c_31_884, fot370_c_10_424, fper2555_c_4_909, llac1719_c_1_954, llac_c_1_977 SVLPVVLDAGTNR PK; PK; PK; PK; PK; PK; PV; PA ET; ET; EA; ET; ET; ET; KE; KE 179; 179; 179; 179; 13; 179; 177; 177 NH2-SVLPVVLDAGTNR-COOH NA file1.mgf NA 3159.2544 670.881164550781 2+ 2+ 1339.74596409231 0 1.35052090508984 100 Doubtful +620 fper2555_c_7_1237, fper_c_16_1269 YDLVVVGGGPAGLAAAVEAK MK; MK KN; KN 5; 5 NH2-YDLVVVGGGPAGLAAAVEAK-COOH NA file1.mgf NA 3961.0842 929.012634277344 2+ 2+ 1856.00436360295 0 3.41870475946953 100 Doubtful +646 NCBIABIX_c_1_766, NCBIACDZ_c_4_1178, aomn_c_10_1022, aot181_c_3_612, bani2464_c_1_1526, bant_c_1_4466, bbre2426_c_1_136, bbre_c_13_1405, bdim1892_c_23_1434, bdim_c_30_1168, blon2249_c_1_150, blon_c_2_281, bsub2577_c_2_446, fgon2550_c_17_1107, fgon_c_30_1589, fnec_c_10_2402, fnuc420_c_20_2211, fnuc_c_1_711, fnucp_c_1_20, fnucv_c_21_690, fot370_c_38_1059, fper2555_c_2_625, fper_c_2_241, gber_c_3_139, ghae2070_c_5_719, gvag_c_1_257, pden_c_10_1473, sino_c_10_1488, swig_c_2_670 IINEPTAAALAYGLEK LR; ER; LR; LR; LR; ER; LR; LR; LR; LR; LR; LR; LR; KR; KR; KR; KR; KR; KR; KR; KR; KR; KR; ER; ER; LR; LR; LR; LR GK; TD; GK; GK; SK; QD; GK; GK; ND; ND; GK; GK; GK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; TD; TD; GK; GK; GK; GK 144; 142; 144; 144; 144; 142; 144; 144; 168; 168; 144; 144; 144; 144; 144; 144; 144; 144; 144; 144; 144; 144; 144; 142; 142; 144; 144; 144; 144 NH2-IINEPTAAALAYGLEK-COOH NA file1.mgf NA 3443.8712 837.460571289063 2+ 2+ 1672.90358693252 0 1.79275148425641 100 Doubtful +797 fnucp_c_8_2165 KIIDEDENDEGEGYSQK IR NN 88 NH2-KIIDEDENDEGEGYSQK-COOH NA file1.mgf NA 1431.7089 984.935913085938 2+ 2+ 1967.85960941371 0 -1.18595162243177 100 Doubtful diff -r 000000000000 -r de3c2c88e710 test-data/file2.tab --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/file2.tab Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,55 @@ + Protein(s) Sequence AAs Before AAs After Position Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Localization Confidence Probabilistic PTM score D-score Confidence [%] Validation +347 fnucp_c_1_738 YSNEDVKEEDLNK RR IL 16 NH2-YSNEDVKEEDLNK-COOH NA file2.mgf NA 1301.235 791.8662109375 2+ 2+ 1581.71584573249 0 1.27749577022674 100 Doubtful +425 aaph_c_1_2183, hhae2076_c_16_1782, hinf_c_1_1334, hot851_c_11_1302, hpar1239_c_1_755, hpar_c_10_1735 SGATGVFTDFPDTGVEFLK NK; NK; NK; NK; NK; NK KQ; GK; GI; GK; KQ; KQ 339; 343; 343; 343; 340; 340 NH2-SGATGVFTDFPDTGVEFLK-COOH NA file2.mgf NA 4254.5871 994.487915039063 2+ 2+ 1986.95747298018 0 1.91262836858352 100 Doubtful +598 fnucp_c_6_1952, fper2555_c_23_2106, fper_c_9_903 VIAVLVGENLDEVAK KK; KK; KK KC; KC; KC 38; 38; 38 NH2-VIAVLVGENLDEVAK-COOH NA file2.mgf NA 3565.4679 784.951843261719 2+ 2+ 1567.88212321195 0 4.46550271095854 100 Doubtful +229 fnuc420_c_1_102, fnucp_c_2_1111, fnucv_c_162_2140, fot370_c_75_1534, fper2555_c_1_145, fper_c_53_2217 DDVDAMSMEK IK; IK; IK; IK; IK; IK VV; VV; VA; VV; VV; VV 288; 288; 205; 288; 288; 288 NH2-DDVDAMSMEK-COOH NA file2.mgf NA 1743.2385 570.732238769531 2+ 2+ 1139.44747578511 0 2.14533665243431 100 Doubtful +944 fnucp_c_2_1031 TGTTTTTNTER YK GN 37 NH2-TGTTTTTNTER-COOH NA file2.mgf NA 704.243 591.783935546875 2+ 2+ 1181.55240923585 0 0.767953402397693 100 Doubtful +412 haeg_c_2_393, hhae2076_c_9_1257, hinf_c_1_1726, hot851_c_3_439, hpar1239_c_1_197, hpar_c_3_696 NVDGHDAEQIR IR; IR; IR; IR; IR; IR AA; QA; AA; QA; AA; AA 215; 215; 215; 215; 215; 215 NH2-NVDGHDAEQIR-COOH NA file2.mgf NA 1118.4025 627.297668457031 2+ 2+ 1252.5796270432 0 0.922160533025422 100 Doubtful +63 NCBIABQV_c_5_729, ecas_c_7_1300, edur2534_c_1_31, edur_c_5_1611, efae1080_c_1_20, eita_c_2_200, esac_c_6_1331, lcas_c_1_2988, lfer_c_1_451, lgas_c_1_1751, line_c_5_884, ljoh_c_1_1822, lmon1053_c_1_2954, lpen_c_23_2249, lpla2113_c_1_489, lrha_c_1_2760, lsal_c_1_699, sang_c_11_577, saus_c_10_1729, scon_c_1_21, scri_c_2_523, sdow_c_5_1507, sgor_c_1_1678, sinf_c_7_1407, sint2361_c_1_321, sint_c_4_1285, smut_c_1_1723, soli_c_1_1747, sot056_c_1_770, sot066_c_2_929, spar_c_10_1829, spara_c_1_1957, ssan_c_1_1864, ssob_c_112_1703 STFIQGSWNYER WR; WR; WR; WR; WR; WR; WR; WR; MR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ 19; 19; 20; 20; 19; 19; 19; 19; 20; 23; 23; 23; 19; 25; 25; 19; 20; 19; 19; 19; 19; 19; 19; 19; 19; 19; 19; 19; 19; 19; 19; 19; 29; 19 NH2-STFIQGSWNYER-COOH NA file2.mgf NA 3079.8075 744.351318359375 2+ 2+ 1486.68409211174 0 2.68131726920278 100 Doubtful +578 aden2573_c_9_902, ager2575_c_7_1667, agra_c_4_1097, aisr_c_35_2609, ajoh_c_11_799, amas_c_24_1219, anae_c_1_2178, aot171_c_23_540, aot448_c_13_1487 TNTALADLVFSDVPGR RR; RR; RL; RR; RR; RR; RR; RR; RR VA; VA; VA; VA; VA; VA; VA; VA; VA 135; 135; 135; 135; 135; 135; 135; 135; 135 NH2-TNTALADLVFSDVPGR-COOH NA file2.mgf NA 3997.9022 838.437805175781 2+ 2+ 1674.85769936926 0 2.00256678651046 100 Doubtful +928 fnucp_c_6_2015, fnucp_c_6_2016 TGVAYGLIYSR GK; GK KG; KG 872; 968 NH2-TGVAYGLIYSR-COOH NA file2.mgf NA 2831.2973 600.324829101563 2+ 2+ 1198.63462273818 0 0.401892019334039 100 Doubtful +447 fgon2550_c_23_1318, fper2555_c_21_2030, fper_c_3_364 EAAPKEEAEAIKEK IK; IK; IK LT; LT; LT 97; 97; 97 NH2-EAAPKEEAEAIKEK-COOH NA file2.mgf NA 1213.1991 771.903625488281 2+ 2+ 1541.79370213037 0 -0.650396465740847 100 Doubtful +930 aseg_c_1_362 TVGTQIDDETLEER PR VK 44 NH2-TVGTQIDDETLEER-COOH NA file2.mgf NA 2213.534 803.385986328125 2+ 2+ 1604.7529595172 0 2.775887233883 100 Doubtful +719 aseg_c_5_1296 AHAVQSFLTAK RR GV 103 NH2-AHAVQSFLTAK-COOH NA file2.mgf NA 2064.7588 586.825988769531 2+ 2+ 1171.63495709135 0 2.10242842220568 100 Doubtful +245 NCBIABZV_c_1_25, bot272_c_19_2035, bot274_c_10_1528, bpyo_c_15_1595, cgin_c_1_282, cgra1653_c_1_494, coch_c_1_283, cot324_c_11_581, cot326_c_26_1461, cot329_c_6_981, cot329_c_9_1502, cot332_c_9_568, cot335_c_1_60, cot336_c_3_1106, cot338_c_15_1826, cot412_c_24_1761, cot863_c_2_284, fgon2550_c_29_1483, fnec_c_9_2366, fnucp_c_3_1245, fot370_c_20_698, fper2555_c_2_390, fper_c_5_619, lcat_c_1_142, pasa2160_c_1_1112, pasa_c_4_431, pbar_c_6_1235, pbiv2380_c_1_267, pbue_c_61_1709, pbus_c_13_1257, pcat_c_12_1297, pden2563_c_12_1546, pden2676_c_11_1667, pdenta_c_5_740, pdenti_c_1_425, peno_c_5_678, pfus_c_4_658, pfus_c_9_1326, pgin33277_c_1_1781, pgin_c_1_1733, phis2679_c_24_2413, phis_c_6_1070, pint2554_c_5_1067, pint_c_1_551, ploe_c_3_890, pmac2508_c_9_1642, pmac2680_c_33_2466, pmar_c_7_784, pmel1142_c_1_1337, pmel_c_9_684, pmic2509_c_25_1748, pmuls_c_1_72, pmulx_c_1_473, pnig_c_16_1564, pora_c_1_276, pori2510_c_10_1630, pori2683_c_11_1562, pori_c_19_2207, pot278_c_2_110, pot279_c_1_353, pot299_c_2_679, pot306_c_4_628, pot317_c_22_1736, pot472_c_107_2706, pot473_c_3_435, poul2684_c_3_432, poul_c_23_1995, ppal_c_1_25, pple_c_29_2172, pple_c_5_829, psac2685_c_15_1832, psac_c_6_357, psal_c_121_2357, psco_c_10_907, psha_c_30_2342, puen2674_c_1_36, puen_c_6_574, pver2511_c_15_2093, pver2511_c_2_723, pver_c_7_1079, tot286_c_2_239 FVIGGPHGDTGLTGR GI; GK; GK; GK; GV; GV; GI; GI; GI; GK; GI; GI; GI; GI; GV; GI; GV; GR; GR; GR; GR; GR; GR; GR; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI 241; 255; 240; 255; 232; 241; 241; 241; 241; 252; 241; 241; 241; 241; 241; 241; 241; 227; 227; 227; 227; 227; 227; 229; 255; 255; 234; 255; 249; 243; 255; 255; 44; 245; 255; 243; 255; 243; 253; 253; 255; 255; 255; 255; 244; 243; 234; 244; 255; 255; 255; 255; 254; 255; 270; 243; 234; 243; 255; 255; 243; 255; 264; 244; 255; 243; 243; 255; 243; 243; 244; 244; 243; 255; 100; 255; 255; 255; 243; 255; 253 NH2-FVIGGPHGDTGLTGR-COOH NA file2.mgf NA 2342.83 495.261779785156 3+ 3+ 1482.75792575834 0 3.75842830853782 100 Doubtful +462 paer_c_1_5085, pmel1142_c_1_86, pmel_c_10_726, pot473_c_37_1786 LIDGTVFDSSYQR GT; GT; GT; GR GQ; NQ; NQ; GE 131; 126; 126; 119 NH2-LIDGTVFDSSYQR-COOH NA file2.mgf NA 2803.8028 750.871520996094 2+ 2+ 1499.72562257055 0 1.90877760366336 100 Doubtful +597 vpardsm_c_1_49 GDPDIEGNEITR EK IK 1216 NH2-GDPDIEGNEITR-COOH NA file2.mgf NA 1774.3185 658.311706542969 2+ 2+ 1314.6051730847 0 2.80040435436331 100 Doubtful +78 pbue_c_97_2109, pbus_c_2_224, psal_c_35_1279 EQVEEEATASGIVDR VR; VR; VR LK; IK; IK 126; 126; 126 NH2-EQVEEEATASGIVDR-COOH NA file2.mgf NA 2113.5817 816.890869140625 2+ 2+ 1631.76385855407 0 2.03625750721395 100 Doubtful +903 fot370_c_93_1719, fper_c_70_2400 IVANGFGSSNPIASNATPEGR NR; NR QA; QA 178; 178 NH2-IVANGFGSSNPIASNATPEGR-COOH NA file2.mgf NA 2565.9552 1030.01611328125 2+ 2+ 2058.01303079369 0 2.25377330958951 100 Doubtful +364 NCBIABWM_c_10_3254, NCBIJUET_c_8_1281, aact1954_c_15_1548, aact_c_1_651, aaph_c_1_1528, adef_c_1_311, aot458_c_5_484, aseg_c_7_1480, bfor_c_1_861, bot274_c_3_687, bpyo_c_49_2920, cot329_c_2_393, cper_c_21_1721, ecan2604_c_4_3637, ecol1511_c_1_4378, ecol_c_1_3257, ehor_c_27_3499, esak_c_1_4028, haeg_c_7_994, hduc_c_1_1128, hhae2076_c_6_920, hinf_c_1_1495, hot851_c_5_726, hpar1239_c_1_371, hpar_c_4_995, kpne1249_c_1_339, kpne_c_1_4529, lot082_c_4_347, lot107_c_10_1410, pasa2160_c_1_931, pasa_c_38_1634, pbar_c_6_1292, pbiv2380_c_1_295, pbue_c_61_1702, pbus_c_28_1912, pden2676_c_1_14, pdenta_c_5_693, pdenti_c_1_469, pend_c_1_110, peno_c_9_1029, pfus_c_46_2862, pgin33277_c_1_422, pgin_c_1_1534, phis_c_3_578, pint2554_c_6_1257, pint_c_1_226, ploe_c_4_1006, pmac2508_c_9_1592, pmar_c_6_668, pmel1142_c_1_1376, pmel_c_13_872, pmic2509_c_34_1910, pmic2682_c_52_2001, pmir1289_c_1_3008, pmuls_c_12_1641, pmulx_c_3_1449, pnig_c_22_1787, pora_c_1_359, pori2510_c_7_1224, pot299_c_2_789, pot302_c_9_1214, pot306_c_7_1101, pot317_c_106_3217, pot473_c_37_1789, poul2684_c_2_250, poul_c_1_242, ppal_c_32_1509, pple_c_3_493, psac2685_c_1_101, psac_c_45_1617, psal_c_48_1513, psco_c_30_1883, psha_c_63_3066, ptan_c_3_841, puen2674_c_35_1444, puen_c_42_1738, pver2511_c_6_1400, pver_c_2_547, sflu_c_1_31, sinfelix_c_1_1, snox_c_1_27, sot133_c_1_661, sot138_c_25_1636, sot149_c_2_203, sot892_c_2_446, sspu_c_29_2173, tot286_c_31_1669, ypes1054_c_1_3432 AYLVNTGWNGTGK AQ; AK; AE; AE; AE; AK; AE; AE; AR; AK; AK; AK; SR; AQ; AQ; AQ; AQ; AQ; AE; SQ; AE; AE; AE; AE; AE; AQ; AQ; SK; SK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AT; AT; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AQ; AK; AK; AK; AK; AK; AK; AK; AK; AK; SK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; SR; SR; SR; SK; SR; SC; SR; AK; AK; AQ RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI 435; 426; 434; 434; 434; 430; 434; 434; 426; 431; 431; 430; 435; 435; 436; 436; 435; 435; 434; 432; 434; 434; 434; 434; 434; 436; 436; 430; 430; 433; 433; 433; 436; 433; 433; 8; 433; 433; 431; 172; 433; 431; 431; 433; 433; 433; 433; 433; 433; 433; 433; 434; 434; 435; 433; 434; 433; 433; 433; 433; 430; 433; 433; 429; 433; 433; 433; 433; 433; 433; 433; 433; 433; 449; 207; 433; 433; 433; 435; 435; 452; 435; 435; 435; 435; 430; 430; 435 NH2-AYLVNTGWNGTGK-COOH NA file2.mgf NA 2561.504 690.8505859375 2+ 2+ 1379.68336383575 0 2.35587358575703 100 Doubtful +811 fnuc2539_c_1_2044, fnuc420_c_10_1633, fnuc_c_1_444, fnucp_c_8_2220, fnucv_c_45_1115, fot370_c_98_1752, fper2555_c_8_1364, fper_c_23_1550 VIPVYGGQSIDIQR MK; MK; MK; MK; MK; MK; MK; MK KL; KL; KL; KL; KL; KL; KL; KL 107; 107; 107; 107; 107; 108; 108; 107 NH2-VIPVYGGQSIDIQR-COOH NA file2.mgf NA 2854.4093 772.926391601563 2+ 2+ 1543.83584172587 0 1.5451324655657 100 Doubtful +240 fnuc420_c_4_826, fnucp_c_7_2130, fnucv_c_98_1718, fper2555_c_30_2307, fper_c_9_867 IVASIEEAIKK PK; PK; PK; KK; PK SG; SG; SG; SG; SG 52; 52; 52; 52; 52 NH2-IVASIEEAIKK-COOH NA file2.mgf NA 2441.5979 400.91162109375 3+ 3+ 1199.71253870571 0 0.411707785844022 100 Doubtful +737 fper2555_c_1_6, fper_c_6_711 DGSVTAGNASGLNDGASFLLLASEEAVKK KK; KK YN; YN 239; 239 NH2-DGSVTAGNASGLNDGASFLLLASEEAVKK-COOH NA file2.mgf NA 4307.4798 941.149230957031 3+ 3+ 2820.41413135639 0 4.15526133051552 100 Doubtful +757 fnuc_c_1_919, fnucp_c_4_1550 ALLLADESLKEALR AR; AR EA; EA 89; 89 NH2-ALLLADESLKEALR-COOH NA file2.mgf NA 3395.8481 771.45068359375 2+ 2+ 1540.88245756512 0 2.82370678394833 100 Doubtful +464 saga_c_1_1621, sang_c_32_1290, scon_c_1_340, scri_c_8_1301, sdow_c_4_1408, sgor_c_1_1453, sinf_c_1_303, sint2361_c_1_546, sint_c_6_1659, smit1998_c_1_38, smit_c_1_828, smut_c_1_1491, soli_c_1_1222, spne_c_1_609, spyo1356_c_1_374, ssal_c_4_1020, ssan_c_1_1577, ssob_c_9_322 TADQAGMIIPVVISVYEDK AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46 NH2-TADQAGMIIPVVISVYEDK-COOH Oxidation of M(7) NA file2.mgf NA 4211.5448 1033.03344726562 2+ 2+ 2064.04490808559 0 3.59791776373405 Oxidation of M (7: Very Confident) Oxidation of M (7: 100.0) Oxidation of M (7: 100.0) 100 Doubtful +629 NCBIACIK_c_1_427, NCBIACIK_c_1_445, vpardsm_c_1_1517 IDELMDAVDSYIPTPVR AK; AK; AK DT; DT; DT 189; 189; 189 NH2-IDELMDAVDSYIPTPVR-COOH Oxidation of M(5) NA file2.mgf NA 3812.9899 975.481750488281 2+ 2+ 1948.94519404432 0 1.92418045705699 Oxidation of M (5: Very Confident) Oxidation of M (5: 100.0) Oxidation of M (5: 100.0) 100 Doubtful +418 scri_c_9_1377 NEIASENYNEETNK VR YT 68 NH2-NEIASENYNEETNK-COOH NA file2.mgf NA 1383.8851 827.864074707031 2+ 2+ 1653.71182298121 0 1.07113062478757 100 Doubtful +573 hpar1239_c_1_549, hpar_c_7_1453 NVVESSLSIGVLK IK; IK TL; TL 339; 339 NH2-NVVESSLSIGVLK-COOH NA file2.mgf NA 3333.3108 672.892028808594 2+ 2+ 1343.76603083055 0 2.58129226664732 100 Doubtful +174 fnuc_c_1_1804 EGILGGISTGATFK FK AA 259 NH2-EGILGGISTGATFK-COOH NA file2.mgf NA 3282.0426 675.867980957031 2+ 2+ 1349.71908063813 0 1.72248603561011 100 Doubtful +316 cot329_c_84_5660 FGQAVLSGQSLR MK LS 99 NH2-FGQAVLSGQSLR-COOH NA file2.mgf NA 2389.0071 631.848022460938 2+ 2+ 1261.67788453249 0 2.85469442926539 100 Doubtful +453 fnucp_c_1_711 NSEDVKDIPEESATR VK TV 63 NH2-NSEDVKDIPEESATR-COOH NA file2.mgf NA 1597.7123 845.401916503906 2+ 2+ 1688.78532227464 0 2.34078533208531 100 Doubtful +144 fnucp_c_6_2018 ENPNDEDIISR EK VI 416 NH2-ENPNDEDIISR-COOH NA file2.mgf NA 1723.5139 651.303588867188 2+ 2+ 1300.58952302056 0 2.38121486711582 100 Doubtful +465 NCBIABWK_c_5_1401, bext1730_c_1_273, cper_c_29_2074, elim_c_1_3700, esab_c_8_796, jign_c_9_1376, lot082_c_52_2374, lot107_c_6_946, mhom2524_c_5_843, mot131_c_1_73, msal_c_2_807, sart2584_c_1_432, sflu_c_2_436, sinfelix_c_1_194, slon_c_2_649, smoo1683_c_20_1841, smoo2585_c_86_2033, snox_c_1_225, sot133_c_2_999, sot137_c_1_321, sot138_c_4_356, sot892_c_12_1408, sspu_c_4_803 TVVTGIEMFR RQ; RK; RS; KK; KS; KK; KS; KS; KK; RQ; IK; RS; RS; RS; RK; RK; RK; RS; RS; RS; RS; RS; KS KM; KM; KL; KL; KL; KL; KL; KL; KN; KM; KN; KL; KL; KL; KL; KT; KT; KL; KL; KL; KL; KL; KM 257; 257; 255; 256; 259; 259; 259; 259; 257; 257; 257; 255; 255; 255; 259; 257; 257; 255; 255; 255; 255; 255; 255 NH2-TVVTGIEMFR-COOH Oxidation of M(8) NA file2.mgf NA 2714.3645 584.805603027344 2+ 2+ 1167.59579470131 0 0.733936524457628 Oxidation of M (8: Very Confident) Oxidation of M (8: 100.0) Oxidation of M (8: 100.0) 100 Doubtful +755 sang2334_c_5_616, sang_c_10_533, scon_c_2_1134, sgor_c_1_424, sint2361_c_1_1486, sint_c_2_695 GVLTFTISQEQIKPELDR NR; NR; NR; NR; NR; NR VF; VF; VF; VF; VF; VF 13; 13; 13; 13; 13; 13 NH2-GVLTFTISQEQIKPELDR-COOH NA file2.mgf NA 3463.3476 692.045227050781 3+ 3+ 2073.11061957664 0 1.55682517663162 100 Doubtful +279 sang2334_c_2_178, sang_c_15_775, scon_c_5_2190, sgor_c_1_1010, sot056_c_1_241 NELGWKPEFTNFEAGLK LR; LR; LR; LR; LR ET; ET; ET; ET; ET 300; 300; 292; 300; 300 NH2-NELGWKPEFTNFEAGLK-COOH NA file2.mgf NA 3665.1721 660.66845703125 3+ 3+ 1978.9788771311 0 2.3534614280446 100 Doubtful +2 fnuc2539_c_1_1602, fnuc420_c_9_1485, fnucp_c_3_1461, fper2555_c_11_1505, fper_c_33_1828, tmal_c_2_1958 NLMTAFAGESQAR EK; EK; EK; EK; EK; EQ NK; TK; NK; NK; NK; TK 11; 11; 11; 11; 11; 12 NH2-NLMTAFAGESQAR-COOH NA file2.mgf NA 3016.8566 698.337524414063 2+ 2+ 1394.66124849218 0 -0.538849228944504 100 Doubtful +284 fgon2550_c_1_23, fgon_c_1_103, fnec_c_2_965, fnuc2539_c_1_503, fnuc420_c_5_1002, fnuc_c_1_793, fnucp_c_4_1701, fnucv_c_55_1244, fot370_c_1_17, fper_c_13_1124, pind_c_27_733, pot386_c_6_425 KPYAAVYEIIR NR; NR; NR; NR; NR; NR; NR; NR; NR; NR; NR; NR QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG 31; 31; 31; 31; 31; 31; 31; 27; 31; 31; 31; 31 NH2-KPYAAVYEIIR-COOH NA file2.mgf NA 2888.6606 661.878234863281 2+ 2+ 1321.73942215989 0 1.88451411263303 100 Doubtful +28 NCBIACDZ_c_6_1452, bcla_c_1_161, bsub_c_1_2431, cmor_c_5_1037, ecas_c_5_928, edur2534_c_7_1096, edur_c_7_1950, efae1080_c_1_183, esac_c_5_1151, gadi_c_1_169, gber_c_10_455, gele_c_3_415, ghae2070_c_15_1405, gmor_c_7_1056, gsan_c_22_1289, lcas_c_1_2636, lfus_c_8_2154, llac_c_1_2459, lmon1053_c_1_213, lrha_c_1_2433, saga_c_1_1855, sang_c_8_445, saur1312_c_1_582, saus_c_6_1276, scon_c_3_1576, scri_c_2_400, sdow_c_8_1945, sepi1324_c_1_181, sgor_c_1_208, sinf_c_4_1005, sinfantis_c_2_1210, sint2361_c_1_172, smit1067_c_1_252, smit1998_c_2_813, smit2_c_9_1002, smit_c_1_172, smut_c_1_332, soli_c_1_1887, sora2005_c_1_1605, sora_c_14_1725, sot056_c_1_1472, sot058_c_9_1106, sot066_c_1_468, sot070_c_1_60, sot071_c_1_348, spara_c_1_1259, sper_c_1_231, spne_c_1_310, spyo1356_c_1_232, spyo_c_1_234, ssal_c_1_372, ssan_c_1_2054, ssob_c_118_1753, sves_c_1_22, swar_c_18_2081 GFEFENAIVGGVVPR GA; GA; GA; GA; GK; GA; GA; GK; GK; GA; GA; GA; GA; GA; GA; GK; GK; GA; GK; GK; GK; GK; GA; GK; GK; GK; GK; GG; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GG EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EF; EY; EY; EF; EF; EY; EF; EF; EF; EF; EY; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EY 520; 520; 520; 521; 520; 520; 520; 520; 520; 521; 520; 521; 520; 520; 520; 523; 520; 535; 519; 523; 520; 520; 521; 520; 520; 520; 520; 521; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 521 NH2-GFEFENAIVGGVVPR-COOH NA file2.mgf NA 3898.3699 795.918884277344 2+ 2+ 1589.82019166173 0 1.89966913581884 100 Doubtful +344 fnuc_c_1_918, fnucp_c_4_1551, fnucv_c_265_2395, fper2555_c_32_2333, fper_c_54_2235 VYYNHSGFPGGIR DK; DK; DK; DK; DK AR; AR; AR; AR; AR 75; 75; 41; 75; 75 NH2-VYYNHSGFPGGIR-COOH NA file2.mgf NA 2253.6662 733.864013671875 2+ 2+ 1465.71024728993 0 2.19872294540282 100 Doubtful +201 aact1954_c_36_2182, aaph_c_1_1605, aot458_c_17_1181, aseg_c_2_422, haeg_c_5_823, hhae2076_c_6_911, hinf_c_1_1184, hot851_c_5_735, hpar1239_c_1_1020 QQIEESTSDYDKEK IR; IR; IR; IR; IR; IR; IR; IR; IR LQ; LQ; LQ; LQ; LQ; LQ; LQ; LQ; LQ 351; 351; 351; 351; 351; 351; 351; 351; 351 NH2-QQIEESTSDYDKEK-COOH NA file2.mgf NA 1682.8539 850.385498046875 2+ 2+ 1698.75843882046 0 -1.17338430483677 100 Doubtful +537 fnuc_c_1_1269, fnucp_c_2_1172 FKEFNSVLTK ER; ER QM; QM 33; 33 NH2-FKEFNSVLTK-COOH NA file2.mgf NA 2370.2608 606.835266113281 2+ 2+ 1211.65502382959 0 0.787251625815019 100 Doubtful +337 NCBIABWM_c_21_4255, aact1954_c_35_2174, aaph_c_1_2075, aseg_c_2_458, ecol_c_1_3159, ehor_c_46_4258, elen_c_1_2185, esak_c_1_18, hduc_c_1_1671, hpar1239_c_1_700, hpar_c_4_936, kora_c_2_1112, kpne1249_c_1_409, kpne_c_1_4461, pmir1289_c_1_3265, ypes1054_c_1_3349 KLQLVGVGYR TK; TR; TR; TR; TK; TK; SK; TK; TK; TK; TK; EK; TK; TK; TK; TK AA; AQ; AQ; AQ; AA; AA; AA; AA; AQ; AQ; AQ; AQ; AA; AA; AS; AA 86; 86; 86; 86; 86; 86; 86; 86; 86; 86; 86; 98; 86; 86; 86; 86 NH2-KLQLVGVGYR-COOH NA file2.mgf NA 2387.6002 566.846740722656 2+ 2+ 1131.67642798051 0 2.20565499752494 100 Doubtful +108 fgon2550_c_17_1135, fnec_c_10_2443, fnuc420_c_3_743, fnuc_c_1_125, fnucp_c_1_218, fot370_c_28_874, fper2555_c_17_1857, fper_c_17_1307 IIVNMGVGEATQNSK EK; EK; EK; EK; EK; EK; EK; EK LM; LM; LI; LI; LM; LI; LI; LM 38; 38; 38; 38; 38; 38; 38; 38 NH2-IIVNMGVGEATQNSK-COOH Oxidation of M(5) NA file2.mgf NA 1736.8934 788.906433105469 2+ 2+ 1575.79265658455 0 3.58516093070578 Oxidation of M (5: Very Confident) Oxidation of M (5: 100.0) Oxidation of M (5: 100.0) 100 Doubtful +866 vpardsm_c_1_54 VSDNQNNTTQTTAK VK GV 3006 NH2-VSDNQNNTTQTTAK-COOH NA file2.mgf NA 825.5121 761.359741210938 2+ 2+ 1520.70667803112 0 -1.14830136555834 100 Doubtful +829 gsan_c_16_1098 IVEAIELDKPLIDKDITVGGR KR VH 230 NH2-IVEAIELDKPLIDKDITVGGR-COOH NA file2.mgf NA 3411.733 765.440002441406 3+ 3+ 2293.2893122146 0 3.86084839328096 100 Doubtful +921 fnucp_c_6_2058 EYLLNVPVPR MK SF 3 NH2-EYLLNVPVPR-COOH NA file2.mgf NA 3352.6729 600.345703125 2+ 2+ 1198.6710082469 0 4.86811007372071 100 Doubtful +354 aact1954_c_22_1863, aact_c_1_2025, aaph_c_1_111, hpar1239_c_1_597, hpar_c_9_1606 EATQEEYIEHR LK; LK; LK; LK; LK VK; VK; VK; VK; VK 309; 129; 309; 309; 309 NH2-EATQEEYIEHR-COOH NA file2.mgf NA 1367.6752 702.823852539063 2+ 2+ 1403.63172218571 0 1.01729632612114 100 Doubtful +216 NCBIACEA_c_25_1646 ITAEEGGSSGPEK HK AE 64 NH2-ITAEEGGSSGPEK-COOH NA file2.mgf NA 953.7822 631.299438476563 2+ 2+ 1260.58337501096 0 0.751631632293137 100 Doubtful +813 fnuc420_c_3_732, fnuc_c_1_137, fnucp_c_1_207, fnucv_c_123_1931, fot370_c_28_863, fper_c_17_1318 MVGGGVTFGPHPR PH; PH; PH; ; PH; PH SY; SY; SY; SY; SY; SY 83; 83; 83; 1; 83; 83 NH2-MVGGGVTFGPHPR-COOH NA file2.mgf NA 2086.4944 656.335876464844 2+ 2+ 1310.6553752661 0 1.39009047484093 100 Doubtful +209 fnucp_c_1_83, fnucv_c_19_633 VDDEVEGTVTK FK; FK VL; VL 561; 561 NH2-VDDEVEGTVTK-COOH NA file2.mgf NA 1385.3612 596.292053222656 2+ 2+ 1190.56666231766 0 2.42431625672414 100 Doubtful +329 fot370_c_3_181, fper2555_c_16_1790, fper_c_24_1587 YTIDIFELGVDK GK; GK; GK KL; KL; KL 102; 102; 102 NH2-YTIDIFELGVDK-COOH NA file2.mgf NA 4197.1977 706.871459960938 2+ 2+ 1411.72349731223 0 3.44453912132075 100 Doubtful +625 vaty_c_5_598, vpardsm_c_1_987 MNIINVLEQEQLR TD; TD 1; 1 NH2-MNIINVLEQEQLR-COOH Oxidation of M(1) NA file2.mgf NA 3727.3337 808.429992675781 2+ 2+ 1614.83994113014 0 3.39627827848994 Oxidation of M (1: Very Confident) Oxidation of M (1: 100.0) Oxidation of M (1: 100.0) 100 Doubtful +407 fper2555_c_6_1098, fper_c_56_2262 ALEGLEFLGVDLDKEVNSVR EK; EK KK; KK 343; 343 NH2-ALEGLEFLGVDLDKEVNSVR-COOH NA file2.mgf NA 4566.4018 735.060241699219 3+ 3+ 2202.15321266461 0 2.57713446857005 100 Doubtful +81 fnuc_c_1_198 ALSYVIPTEEEFPYTIR ER VV 419 NH2-ALSYVIPTEEEFPYTIR-COOH NA file2.mgf NA 3994.7548 1014.52319335938 2+ 2+ 2027.02515861718 0 3.28981631425537 100 Doubtful +19 fnec_c_8_2194, fnuc2539_c_1_215, fnuc420_c_19_2187, fnuc_c_1_400, fnucp_c_6_2038, fnucv_c_1_14, fot370_c_18_654, fper2555_c_9_1379, fper_c_7_740 AVSQPVEGTILTVIR YQ; YK; YK; YK; YK; YK; YM; YM; YM KV; KV; KV; KV; RV; KV; KV; KV; KV 127; 127; 127; 127; 127; 127; 127; 127; 127 NH2-AVSQPVEGTILTVIR-COOH NA file2.mgf NA 3691.0492 528.310852050781 3+ 3+ 1581.90900666613 0 1.08527497709561 100 Doubtful +294 aact1954_c_15_1548, aact_c_1_651, aaph_c_1_1528, aot458_c_5_484, aseg_c_7_1480, haeg_c_7_994, hduc_c_1_1128, hhae2076_c_6_920, hinf_c_1_1495, hot851_c_5_726, hpar_c_4_995 GIIDAILDGSIEK TR; TR; TR; TR; TR; TR; TR; TR; TR; TR; TR AQ; AQ; AE; AE; AE; AE; AT; AE; AE; AE; TE 455; 455; 455; 455; 455; 455; 453; 455; 455; 455; 455 NH2-GIIDAILDGSIEK-COOH NA file2.mgf NA 4355.5846 672.376525878906 2+ 2+ 1342.7343963491 0 3.05073678608087 100 Doubtful diff -r 000000000000 -r de3c2c88e710 test-data/file3.tab --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/file3.tab Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,47 @@ + Protein(s) Sequence AAs Before AAs After Position Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Localization Confidence Probabilistic PTM score D-score Confidence [%] Validation +343 ecas2549_c_6_1415, ecas_c_11_1734, edur2534_c_2_383, esac_c_2_453, laci_c_1_769, lcol_c_4_902, lcri_c_1_776, lfer_c_1_502, lreu_c_1_501, lvag_c_3_229, sang2334_c_2_202, sang_c_15_751, scon_c_1_470, scri_c_3_789, soli_c_1_620 IMEVPVGDALIGR GK; GK; GK; GK; GR; GR; GR; GR; GR; GR; GK; GK; GK; GK; GK VV; VV; VV; VV; VV; VV; VV; VV; VV; VV; VV; VV; VV; VV; VV 94; 94; 94; 94; 94; 94; 94; 94; 94; 94; 94; 94; 94; 94; 94 NH2-IMEVPVGDALIGR-COOH Oxidation of M(2) NA file3.mgf NA 3001.9728 693.379821777344 2+ 2+ 1384.73843618372 0 4.79857436469376 Oxidation of M (2: Very Confident) Oxidation of M (2: 100.0) Oxidation of M (2: 100.0) 100 Doubtful +141 fgon2550_c_2_197, fgon_c_34_1639, fnuc420_c_4_937, fnuc_c_1_853, fnucp_c_4_1631, fnucv_c_95_1697, fot370_c_16_619, fper2555_c_5_1030, fper_c_27_1676, lbuc_c_1_1988, lgoo2629_c_1_1400, lgoo_c_5_436, lhof2581_c_7_2044, lhof_c_4_1315, lot215_c_22_1682, lot225_c_156_2290, lot879_c_16_913, lsha_c_7_1665, lwad_c_28_1936 QTGHHLNVNVFGR FK; FK; FK; FK; FK; FK; FK; FK; FK; FN; FN; FN; FN; FN; FN; FN; FN; FN; FN EL; EL; EL; EL; EL; EL; EL; EL; EL; DL; EL; EL; EL; EL; EL; EL; EL; DL; DL 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684 pyro-QTGHHLNVNVFGR-COOH Pyrolidone from Q(1) NA file3.mgf NA 2491.2416 731.369995117188 2+ 2+ 1460.7272943364 0 -1.26955802335559 Pyrolidone from Q (0: 100.0) Pyrolidone from Q (1: 100.0) 100 Doubtful +23 fnucp_c_3_1241 KLGYEVIEQAIPR AK EL 229 NH2-KLGYEVIEQAIPR-COOH NA file3.mgf NA 3194.4363 758.430541992188 2+ 2+ 1514.84567813358 0 0.562291207815744 100 Doubtful +130 saus_c_1_540, scon_c_4_1907, sint2361_c_1_928, sot066_c_4_1620, spar_c_4_868, spara_c_1_439, ssan_c_1_1186 ELTNDRDADINDLVKPGETLELLVLR LR; LR; LR; LR; LR; LR; LR QV; QV; QV; QV; QV; QV; QV 49; 49; 49; 49; 49; 49; 49 NH2-ELTNDRDADINDLVKPGETLELLVLR-COOH NA file3.mgf NA 4556.4017 984.531372070313 3+ 3+ 2950.56112994325 0 3.77740100971689 100 Doubtful +151 fnuc420_c_1_102, fnucp_c_2_1111, fnucv_c_162_2140, fot370_c_75_1534, fper2555_c_1_145, fper_c_53_2217 DDVDAMSMEK IK; IK; IK; IK; IK; IK VV; VV; VA; VV; VV; VV 288; 288; 205; 288; 288; 288 NH2-DDVDAMSMEK-COOH Oxidation of M(6) NA file3.mgf NA 1209.0085 578.727783203125 2+ 2+ 1155.44239040467 0 -1.18961837185172 Oxidation of M (6: Very Confident) Oxidation of M (6: 99.99874037807513, 8: 0.0012596219248667585) Oxidation of M (6: 100.0) 100 Doubtful +577 scri_c_6_1134, sinfantis_c_1_544, smit1067_c_1_672, smit1998_c_1_68, soli_c_1_1648, sot058_c_3_508, spne_c_1_585, ssan_c_1_1934 DYEANEAEYDKKK AR; AR; AR; AR; AR; AR; AR; AR LF; LF; LF; LF; LF; LF; LF; LF 249; 249; 249; 249; 249; 249; 249; 249 NH2-DYEANEAEYDKKK-COOH NA file3.mgf NA 1057.8665 801.868408203125 2+ 2+ 1601.72093111293 0 0.830785193974707 100 Doubtful +588 aact1954_c_4_634, aact_c_1_1934, aot458_c_32_1600, aseg_c_5_1297, hhae2076_c_14_1658, ypes1054_c_1_619 VLQLVSTDGR GK; GK; GK; GK; GK; GS FK; FK; FK; FK; FK; FK 394; 394; 394; 394; 395; 400 NH2-VLQLVSTDGR-COOH NA file3.mgf NA 2260.0972 544.31005859375 2+ 2+ 1086.6033226099 0 2.05916513586104 100 Doubtful +261 haeg_c_7_962, hduc_c_1_1686, hhae2076_c_7_1005, hot851_c_5_690, hpar1239_c_1_686 DVQGIDPVSLIAFDK VR; VR; VR; VR; VR VI; VV; VI; VI; VI 170; 170; 170; 170; 170 NH2-DVQGIDPVSLIAFDK-COOH NA file3.mgf NA 4209.8774 808.932495117188 2+ 2+ 1615.84573770323 0 2.90482283834541 100 Doubtful +177 fper2555_c_1_321 FAFESFTTVER HK V 186 NH2-FAFESFTTVER-COOH NA file3.mgf NA 3402.1876 667.325622558594 2+ 2+ 1332.635016661 0 1.25540261767359 100 Doubtful +36 saga_c_1_2168, sang2334_c_24_1785, sang_c_56_1716, saus_c_8_1486, scon_c_6_2401, scri_c_14_1732, sgor_c_1_8, sinf_c_8_1588, sinfantis_c_2_937, sint2361_c_1_1903, smit1067_c_1_2098, smit1998_c_8_1592, smit2_c_4_573, smit_c_1_5, smut_c_1_1975, soli_c_1_2175, sora2005_c_1_1892, sora_c_10_1513, sot056_c_1_1237, sot058_c_7_934, sot066_c_5_1867, sot070_c_3_1351, sot071_c_9_1715, spar_c_5_1090, spara_c_1_1459, sper_c_1_25, spne_c_1_2217, ssal1367_c_1_2051, ssal_c_17_1882, ssan_c_1_2311, sves_c_7_1881 LLVAGAVGVTSDTFER GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE 223; 223; 223; 225; 223; 223; 223; 223; 223; 223; 223; 223; 223; 223; 223; 223; 223; 205; 205; 223; 223; 223; 223; 220; 223; 223; 223; 223; 223; 223; 223 NH2-LLVAGAVGVTSDTFER-COOH NA file3.mgf NA 3235.8508 817.943481445313 2+ 2+ 1633.86753577697 0 2.97954239164019 100 Doubtful +120 sang2334_c_12_1225, sang_c_12_660, sinf_c_14_1941, sinfantis_c_3_1448, smit1998_c_8_1605, ssan_c_1_2145 QAADAVKEEAER KK; KK; KK; KK; KK; KK AG; AG; AG; SG; SG; SG 75; 75; 48; 75; 75; 75 pyro-QAADAVKEEAER-COOH Pyrolidone from Q(1) NA file3.mgf NA 1575.0435 650.312622070313 2+ 2+ 1298.61025846514 0 0.332718442274367 Pyrolidone from Q (0: 100.0) Pyrolidone from Q (1: 100.0) 100 Doubtful +157 aact1954_c_36_2182, aaph_c_1_1605, aot458_c_17_1181, aseg_c_2_422, haeg_c_5_823, hhae2076_c_6_911, hinf_c_1_1184, hot851_c_5_735, hpar1239_c_1_1020, kpne1249_c_1_4934, kpne_c_1_359, paer_c_1_4896, ppse_c_16_3342 ANDAAGDGTTTATVLAQAIVNEGLK SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK AV; AV; AV; AV; AV; AV; AV; AV; AV; AV; AV; AV; AV 81; 81; 81; 81; 81; 81; 81; 81; 81; 81; 81; 81; 66 NH2-ANDAAGDGTTTATVLAQAIVNEGLK-COOH NA file3.mgf NA 4279.2981 1201.11657714844 2+ 2+ 2400.21324672187 0 2.22903147765402 100 Doubtful +684 vpardsm_c_1_1264 VVPLALAER AK ME 47 NH2-VVPLALAER-COOH NA file3.mgf NA 2645.5909 484.301116943359 2+ 2+ 966.58621599378 0 1.51244905092939 100 Doubtful +203 aot458_c_12_937, aseg_c_4_1082, bdim1892_c_42_2035, bdim_c_53_1662, haeg_c_5_813, hduc_c_1_574, hinf_c_1_1172, hot851_c_12_1351, hpar1239_c_1_796, hpar_c_10_1687 EATPEELAER GR; GR; GR; GR; GR; GR; GR; GR; GR; GR MG; MG; LA; LA; MG; MG; MG; MG; MG; MG 483; 485; 504; 504; 493; 478; 493; 491; 493; 493 NH2-EATPEELAER-COOH NA file3.mgf NA 1715.7186 572.778015136719 2+ 2+ 1143.54078192299 0 0.607056509850591 100 Doubtful +540 pot786_c_24_1450 LLDSAQAGDNIGALLR RK GI 267 NH2-LLDSAQAGDNIGALLR-COOH NA file3.mgf NA 3629.3064 814.441040039063 2+ 2+ 1625.87368378657 1 -5.8428334660384 100 Doubtful +510 pot473_c_32_1700 AQEAAAALKPGEVLLLENLR AK FY 95 NH2-AQEAAAALKPGEVLLLENLR-COOH NA file3.mgf NA 3949.825 702.737548828125 3+ 3+ 2105.18445322324 0 3.01861385736491 100 Doubtful +142 hhae2076_c_1_167, hot851_c_1_110, hpar1239_c_1_1714, hpar_c_1_337 YAEDNYDDASKPEAK CR; CR; CR; CR RA; RA; RA; RA 285; 285; 285; 285 NH2-YAEDNYDDASKPEAK-COOH NA file3.mgf NA 1175.1516 858.372802734375 2+ 2+ 1714.73222407262 0 -0.682417180184919 100 Doubtful +101 gadi_c_12_1561 AAAADEAVADEALR AK KA 280 NH2-AAAADEAVADEALR-COOH NA file3.mgf NA 2138.0687 686.839782714844 2+ 2+ 1371.66302231399 0 1.44879854572509 100 Doubtful +795 scri_c_10_1477, sgor_c_1_352, soli_c_1_305, sot056_c_1_1590, ssan_c_1_1994 EVSLLELTVAGTK QK; QK; QK; QK; QK DA; DA; EA; DA; DA 169; 169; 169; 169; 169 NH2-EVSLLELTVAGTK-COOH NA file3.mgf NA 3763.7774 680.391784667969 2+ 2+ 1358.76569647738 0 2.43972157497935 100 Doubtful +140 NCBIACIK_c_2_807, vaty_c_38_1853, vot158_c_8_1707, vpardsm_c_1_895 AKFEELTADLVQATIEPTR TR; TR; TR; TR KA; KA; KA; KA 274; 274; 274; 274 NH2-AKFEELTADLVQATIEPTR-COOH NA file3.mgf NA 4073.9694 711.381530761719 3+ 3+ 2131.1160988799 0 3.12257456846102 100 Doubtful +456 vot158_c_2_758, vot158_c_2_775, vpardsm_c_1_1517 VLDSAVAGDNVGALLR RK; RK; RK GV; GV; GV 266; 175; 266 NH2-VLDSAVAGDNVGALLR-COOH NA file3.mgf NA 3352.4316 785.4345703125 2+ 2+ 1568.852220066 0 1.50720953334644 100 Doubtful +138 saga_c_1_1676, sang_c_5_315, saus_c_13_1914, scon_c_1_272, scri_c_8_1350, sdow_c_1_454, sgor_c_1_1628, sinf_c_1_343, sinfantis_c_1_490, smit1067_c_1_1415, smit1998_c_1_117, smit2_c_19_1555, smut_c_1_1535, soli_c_1_1166, sora2005_c_1_1310, sot056_c_1_718, sot066_c_1_167, sot070_c_1_336, sot071_c_1_88, spar_c_1_266, spara_c_1_960, sper_c_9_1403, spne_c_1_715, spyo1356_c_1_323, ssal_c_9_1511, ssan_c_1_1677, ssob_c_18_515, sves_c_10_2036 MIPVVIEQTSR GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1 ace-MIPVVIEQTSR-COOH Acetylation of protein N-term(1) NA file3.mgf NA 4069.0245 657.858947753906 2+ 2+ 1313.70132239901 0 1.53541901813612 Acetylation of protein N-term (0: 100.0) Acetylation of protein N-term (1: 100.0) 100 Doubtful +394 NCBIJUET_c_8_1281, bfor_c_1_861, haeg_c_7_994, hhae2076_c_6_920, hinf_c_1_1495, hot851_c_5_726, hpar1239_c_1_371, hpar_c_4_995 DGDVAIFFGLSGTGK GK; GK; GE; GK; GK; GK; GK; GK TT; TT; TT; TT; TT; TT; TT; TT 231; 231; 238; 238; 238; 238; 238; 238 NH2-DGDVAIFFGLSGTGK-COOH NA file3.mgf NA 3302.2051 742.873779296875 2+ 2+ 1482.73545897826 1 -3.91187465093513 100 Doubtful +188 fnucp_c_10_2306, fnucv_c_111_1834 RDGGAVAYLGNYFPLEDSR SK; SK VV; VV 28; 28 NH2-RDGGAVAYLGNYFPLEDSR-COOH NA file3.mgf NA 3768.2008 700.677551269531 3+ 3+ 2099.00721713726 0 1.71608993822644 100 Doubtful +614 haeg_c_4_737, hhae2076_c_3_512, hinf_c_1_91, hpar1239_c_1_1803, hpar_c_5_1180 EVDIIITTAAIPGKPAPR AK; AK; AK; AK; AK LI; LI; LI; LI; LI 248; 248; 248; 248; 248 NH2-EVDIIITTAAIPGKPAPR-COOH NA file3.mgf NA 3158.114 621.361206054688 3+ 3+ 1861.06729821268 0 -2.95557168950282 100 Doubtful +320 atet_c_7_656, lbuc_c_1_78, lbuc_c_1_82, lbuc_c_1_83, lhof2581_c_11_2365, lhof2581_c_11_2366, lhof2581_c_11_2370, lhof_c_7_1955, lot225_c_134_2193, lot225_c_134_2194, lot225_c_171_2331, lot879_c_5_337, sint2361_c_1_709, sint2361_c_1_727, sint2361_c_1_728 EHVGGGLVTVLVR GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK GD; GD; GD; GD; GD; GD; GD; GD; GD; GD; GD; GD; GD; GD; GD 80; 37; 37; 37; 37; 37; 37; 37; 37; 37; 37; 32; 36; 36; 37 NH2-EHVGGGLVTVLVR-COOH NA file3.mgf NA 2981.5427 668.391296386719 2+ 2+ 1334.76703389006 0 0.752516165301463 100 Doubtful +583 NCBIACIK_c_1_388, vaty_c_31_1738, vot158_c_3_812, vpardsm_c_1_1572 GEWSPGIVTGKPIEVGGSLGR LK; LK; LK; LK NE; NE; NE; NE 165; 165; 165; 165 NH2-GEWSPGIVTGKPIEVGGSLGR-COOH NA file3.mgf NA 3210.9356 699.378051757813 3+ 3+ 2095.10620290254 0 2.91830163305346 100 Doubtful +858 NCBIACIK_c_2_831, vaty_c_20_1487, vot158_c_8_1682, vpardsm_c_1_870 RQDDFVAEVMASVGK EK; EK; EK; EK 212; 212; 212; 212 NH2-RQDDFVAEVMASVGK-COOH Oxidation of M(10) NA file3.mgf NA 3040.5974 556.606872558594 3+ 3+ 1666.79847024098 0 0.190460234281444 Oxidation of M (10: Very Confident) Oxidation of M (10: 100.0) Oxidation of M (10: 100.0) 100 Doubtful +953 vpardsm_c_1_54 EASALSTQDGDKK GR NV 414 NH2-EASALSTQDGDKK-COOH NA file3.mgf NA 890.2118 675.330993652344 2+ 2+ 1348.64703789668 0 0.293540873724583 100 Doubtful +522 fnuc420_c_24_2276, fnuc_c_1_488, fnucp_c_8_2165, fot370_c_43_1131, fper2555_c_8_1354, fper_c_23_1540 TVEATPDVVEEDGIK LK; LK; LK; LK; LK; LK II; II; II; II; II; II 149; 149; 149; 134; 135; 134 NH2-TVEATPDVVEEDGIK-COOH NA file3.mgf NA 2379.6365 801.400390625 2+ 2+ 1600.78319701632 0 1.89125549717607 100 Doubtful +282 fnucp_c_8_2238, fnucv_c_1_44 SLTMVEDDDTEQK QK; QK IF; IF 587; 599 NH2-SLTMVEDDDTEQK-COOH NA file3.mgf NA 1856.5056 755.834167480469 2+ 2+ 1509.65046859461 0 2.19190935587389 100 Doubtful +831 sang_c_32_1276, scon_c_1_323, sgor_c_1_1466, sinfantis_c_1_881, sint2361_c_1_534, sint_c_6_1672, smut_c_1_1498, spyo1356_c_1_361, spyo_c_1_386, ssan_c_1_1596 TNYAIILAAGK M; M; M; M; M; M; M; M; M; M GT; GT; GT; GT; GT; GT; GT; GT; GT; GT 2; 2; 2; 2; 2; 2; 2; 2; 2; 2 NH2-TNYAIILAAGK-COOH NA file3.mgf NA 2954.2782 567.830932617188 2+ 2+ 1133.64445914589 0 2.51233409949045 100 Doubtful +8 aact1954_c_20_1784, aact_c_1_1424, aaph_c_1_728, aot458_c_23_1392, aseg_c_3_802, hpar1239_c_1_1642, hpar_c_1_259 LSQPDGSEDAR SR; SR; SR; SR; SR; SR; SR LN; LN; LN; LN; LN; LN; LN 690; 690; 691; 691; 691; 699; 699 NH2-LSQPDGSEDAR-COOH NA file3.mgf NA 980.0047 587.768981933594 2+ 2+ 1173.52619448801 0 -2.36789277819698 100 Doubtful +639 aaph_c_1_1528, aot458_c_5_484, aseg_c_7_1480, haeg_c_7_994, hhae2076_c_6_920, hinf_c_1_1495, hot851_c_5_726, hpar1239_c_1_371, hpar_c_4_995 GTLTTTGAVAVDTGIFTGR EK; EK; EK; EK; EK; EK; EK; EK; EK SP; SP; SP; SP; SP; SP; SP; SP; SP 46; 46; 46; 46; 46; 46; 46; 46; 46 NH2-GTLTTTGAVAVDTGIFTGR-COOH NA file3.mgf NA 3430.2876 919.489196777344 2+ 2+ 1836.95814168652 0 3.09897724984607 100 Doubtful +664 fnuc420_c_5_1089, fnuc_c_1_302, fnucp_c_11_2322, fnucv_c_27_812, fper2555_c_3_770, fper_c_41_2030 IQVILLEDVAGQGR AK; AK; AK; TK; AK; AK KG; KG; KG; KG; KG; KG 4; 4; 4; 5; 4; 4 NH2-IQVILLEDVAGQGR-COOH NA file3.mgf NA 3727.6737 755.935424804688 2+ 2+ 1509.85149179001 0 3.17811604959764 100 Doubtful +604 NCBIABWM_c_3_1152, NCBIACDX_c_1_100, NCBIACEA_c_9_874, NCBIACEN_c_6_596, NCBIACEO_c_8_1522, NCBIACEQ_c_10_844, aact1954_c_10_1234, aact_c_1_1626, aaph_c_1_2211, abau_c_1_3176, abro_c_2_2365, aot458_c_12_937, aseg_c_4_1082, atum_c_1_2160, axyl_c_1_2162, bcep_c_2_4909, bdim1892_c_42_2035, bdim_c_53_1662, belk2487_c_2_3832, bper_c_1_2232, bsch_c_2_756, chom_c_39_1760, cpne_c_1_777, ctes_c_1_3937, cval_c_93_2363, daci_c_1_5169, ecan2604_c_1_1697, ecol1511_c_1_4077, ecol_c_1_2927, ehor_c_2_746, esak_c_1_320, fgon2550_c_41_1690, fgon_c_23_1425, fnec_c_21_3234, fnuc2539_c_1_733, fnuc420_c_1_293, fnuc_c_1_1903, fnucp_c_1_801, fnucv_c_81_1552, fot370_c_29_904, fper2555_c_10_1459, fper_c_48_2144, haeg_c_5_813, hduc_c_1_574, hhae2076_c_19_1931, hinf_c_1_1172, hot851_c_12_1351, hpar1239_c_1_796, hpar_c_10_1687, kden_c_1_256, kkin_c_4_556, kora_c_2_1726, kpne1249_c_1_629, kpne_c_1_4233, lbuc_c_1_1961, lgoo_c_22_1218, lhof2581_c_4_1615, lmir_c_5_1627, lot215_c_2_316, lot225_c_8_389, lot879_c_24_1204, lsha_c_4_1259, lwad_c_21_1707, mcat_c_1_660, mlot_c_1_2008, nbac_c_30_2079, nelo_c_1_164, ngon1109_c_1_720, ngon_c_11_839, nlac2159_c_1_799, nmen1276_c_1_1647, nmen_c_30_1414, not014_c_8_1184, not020_c_43_1195, npol_c_17_1108, nsic_c_7_1134, nwea_c_20_1808, oant1457_c_1_1801, paer_c_1_582, pflu1300_c_1_5789, pflu_c_1_5196, pmir1289_c_1_2365, ppse_c_29_4499, pstu_c_1_731, rcap_c_1_3043, rpic_c_1_2047, smal1329_c_1_3977, smal_c_1_3591, smue_c_8_902, tm7a_c_243_1434, vpara_c_1_1763, ypes1054_c_1_3248, ypes_c_1_1187 IPVHMIETINK IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR LN; MN; MN; MN; MN; MN; LN; LN; LN; IN; IV; LN; LN; IV; MN; MN; IV; IV; IV; MN; IV; LN; VL; MN; LN; MN; LN; LN; LN; LN; LN; IK; IK; IK; IK; IK; IK; IK; IK; IK; IK; IK; LN; LN; LN; LN; LN; LN; LN; MN; MN; MN; LN; LN; IK; IK; IK; MN; IK; IK; IK; IK; IK; IN; IV; MN; MN; MN; MN; MN; MN; MN; MN; MN; MN; MN; MN; IV; LN; LN; LN; LN; LN; LN; LV; MN; LN; LN; MN; IK; MN; LN; LN 453; 483; 482; 484; 484; 476; 455; 455; 462; 466; 554; 458; 460; 523; 588; 521; 479; 479; 549; 571; 506; 456; 392; 647; 397; 586; 453; 452; 452; 453; 453; 275; 191; 202; 255; 255; 257; 257; 257; 305; 339; 341; 468; 453; 457; 468; 466; 468; 468; 486; 489; 489; 452; 452; 232; 233; 232; 623; 233; 232; 232; 232; 232; 464; 513; 484; 331; 476; 476; 476; 476; 476; 482; 483; 286; 483; 484; 510; 443; 454; 454; 457; 456; 456; 513; 659; 455; 456; 487; 108; 574; 451; 40 NH2-IPVHMIETINK-COOH NA file3.mgf NA 2402.3243 647.865234375 2+ 2+ 1293.71149315989 0 3.4132650947819 100 Doubtful +87 fper2555_c_5_967 FNPNGSSLAIEGIISPDGK FR IF 1188 NH2-FNPNGSSLAIEGIISPDGK-COOH NA file3.mgf NA 3599.3863 958.495544433594 2+ 2+ 1914.96870637022 0 4.08431492849425 100 Doubtful +517 fnuc2539_c_1_229, fnuc420_c_11_1765, fnuc_c_1_386, fnucp_c_6_2005, fnucv_c_1_2 EIVEEAERDAVSK AK; AK; AK; AK; AK SR; SK; AK; AK; AK 50; 50; 50; 50; 50 NH2-EIVEEAERDAVSK-COOH NA file3.mgf NA 1955.8968 737.873962402344 2+ 2+ 1473.73110187381 0 1.5382035826325 100 Doubtful +806 fnuc420_c_4_937, fnucp_c_4_1631, fnucv_c_95_1697, fot370_c_16_619, fper2555_c_5_1030 NLETIVGLQTDAPLKR DK; DK; DK; DK; DK AI; AI; AI; AI; AI 84; 84; 84; 84; 84 NH2-NLETIVGLQTDAPLKR-COOH NA file3.mgf NA 3173.0192 590.004333496094 3+ 3+ 1766.98904789198 0 1.19953831523369 100 Doubtful +613 sang2334_c_13_1287, sang_c_5_322, scon_c_1_282, sint2361_c_1_491, sint_c_4_1117, smit1998_c_1_124, smit2_c_19_1543, sora2005_c_1_1299, sot066_c_1_160, sot070_c_1_347, sot071_c_1_78, ssan_c_1_1670 LPVIENDQLVGLVTEGTIAEASPSK HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR AT; AT; AT; AT; AT; AT; AT; AT; AT; AT; AT; AT 35; 35; 35; 35; 35; 35; 35; 35; 35; 35; 35; 35 NH2-LPVIENDQLVGLVTEGTIAEASPSK-COOH NA file3.mgf NA 4310.7943 860.799438476563 3+ 3+ 2579.3694130101 0 2.7389417357175 100 Doubtful +804 fnucp_c_6_1953 VVNAFDTYALEMAAR EK LK 34 NH2-VVNAFDTYALEMAAR-COOH NA file3.mgf NA 3774.8491 835.921020507813 2+ 2+ 1669.81339202913 0 8.43152126629325 100 Doubtful +552 fnuc420_c_6_1175, fnuc_c_1_946, fnucp_c_1_857, fnucv_c_62_1350, fper2555_c_2_413, fper_c_35_1882 NIASLGIYPAVDPLDSTSK SR; SR; SR; SR; SR; SR AL; AL; AL; AL; AL; AL 325; 325; 325; 325; 325; 325 NH2-NIASLGIYPAVDPLDSTSK-COOH NA file3.mgf NA 3837.4534 981.017822265625 2+ 2+ 1960.01532220947 0 2.94052003411273 100 Doubtful +750 aact1954_c_51_2237, aact_c_1_381, aact_c_1_625, hhae2076_c_35_2415, hhae2076_c_48_2527, hhae2076_c_50_2535, hinf_c_1_1270, hot851_c_32_1760, hpar1239_c_1_453, hpar_c_26_2006 ILELANHLDTYIPEPER EK; EK; EK; EK; EK; EK; EK; EK; EK; EK AI; AI; AI; AI; AI; AI; AI; AI; AI; AI 188; 189; 189; 189; 189; 136; 189; 189; 189; 162 NH2-ILELANHLDTYIPEPER-COOH NA file3.mgf NA 3525.6141 675.024719238281 3+ 3+ 2022.04220566365 0 4.99868181030832 100 Doubtful +191 fot370_c_65_1427, fper2555_c_39_2409 IDSEEDEIADIR KK; KK SI; SI 313; 31 NH2-IDSEEDEIADIR-COOH NA file3.mgf NA 2416.1655 702.829406738281 2+ 2+ 1403.64161816307 0 1.87981949071119 100 Doubtful +171 scri_c_1_378, sgor_c_1_1334, sinfantis_c_7_1757, smit1067_c_1_989, smit1998_c_1_311, smit2_c_2_348, soli_c_1_1420, sora2005_c_1_1081, sot066_c_3_1332, spar_c_4_1052, sper_c_2_367, spne_c_1_921 YRPNADILAITFDELTER SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK GL; GL; GL; GL; GL; GL; GL; GL; GL; GL; GL; GL 419; 419; 419; 419; 419; 419; 419; 419; 419; 419; 419; 419 NH2-YRPNADILAITFDELTER-COOH NA file3.mgf NA 4639.1163 713.037719726563 3+ 3+ 2136.08513310479 0 2.89685114918266 100 Doubtful +93 scri_c_1_378, sgor_c_1_1334, sinfantis_c_7_1757, smit1067_c_1_989, smit1998_c_1_311, smit2_c_2_348, soli_c_1_1420, sora2005_c_1_1081, sot066_c_3_1332, spar_c_4_1052, sper_c_2_367, spne_c_1_921 YRPNADILAITFDELTER SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK GL; GL; GL; GL; GL; GL; GL; GL; GL; GL; GL; GL 419; 419; 419; 419; 419; 419; 419; 419; 419; 419; 419; 419 NH2-YRPNADILAITFDELTER-COOH NA file3.mgf NA 4671.2378 713.037353515625 3+ 3+ 2136.08513310479 0 2.38325700306405 100 Doubtful diff -r 000000000000 -r de3c2c88e710 test-data/file4.tab --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/file4.tab Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,49 @@ + Protein(s) Sequence AAs Before AAs After Position Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Localization Confidence Probabilistic PTM score D-score Confidence [%] Validation +121 gadi_c_1_154, gele_c_1_97 IVINMGVGDATSNAK EK; EK NL; NL 34; 34 NH2-IVINMGVGDATSNAK-COOH NA file4.mgf NA 2594.8197 745.389038085938 2+ 2+ 1488.76062818028 0 1.94198160017953 100 Doubtful +851 fnucp_c_6_2022 DFLSSLPTGR QK AI 919 NH2-DFLSSLPTGR-COOH NA file4.mgf NA 3174.7574 546.788940429688 2+ 2+ 1091.56112344475 0 2.01584677607999 100 Doubtful +697 NCBIACIK_c_2_609, agem_c_39_1680, cmor_c_3_774, dinv_c_1_598, dmic_c_7_729, ecas2549_c_8_1846, ecas_c_6_1136, edur2534_c_23_2497, edur_c_4_1338, efae1080_c_1_2532, eita_c_18_1332, esac_c_28_2751, eyur_c_4_382, fgon2550_c_11_894, fgon_c_5_579, fnec_c_11_2541, fnuc420_c_2_488, fnuc_c_1_1255, fnucp_c_2_1187, fot370_c_124_1922, fper2555_c_5_1014, fper_c_51_2186, gadi_c_1_52, gele_c_4_669, mmic_c_12_1496, mtim_c_11_1209, pot786_c_90_3255, saga_c_1_2078, sang2334_c_23_1773, sang_c_1_19, saus_c_5_1179, scon_c_2_1256, scri_c_5_1026, sdow_c_5_1582, sgor_c_1_1874, sinf_c_5_1205, sinfantis_c_1_214, sint2361_c_1_1626, sint_c_2_530, smit1067_c_1_480, smit1998_c_9_1635, smit2_c_33_1903, smit_c_1_1003, smit_c_1_1004, smut_c_1_1789, soli_c_1_1960, sora2005_c_1_367, sora_c_13_1710, sot056_c_1_1033, sot058_c_8_1067, sot066_c_2_706, sot070_c_2_1111, sot071_c_10_1808, spar_c_2_419, spara_c_1_1682, sper_c_3_557, spne_c_1_1899, spyo1356_c_1_1802, spyo_c_1_1707, ssal1367_c_1_185, ssal_c_7_1357, ssan_c_1_221, ssob_c_31_757, sspu_c_31_2220, sves_c_5_1706, vaty_c_40_1877, vot158_c_7_1619, vot780_c_10_985, vpardsm_c_1_1047 LRIEDALNATR KK; KK; RK; KR; KR; LK; LK; LK; LK; LK; LK; LK; KK; RK; RK; RK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; RK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; KK; MK; KK; KK; KK; KK AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 263; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 70; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392 NH2-LRIEDALNATR-COOH NA file4.mgf NA 2563.4706 636.358520507813 2+ 2+ 1270.69934825306 0 2.46703437346327 100 Doubtful +176 fnuc2539_c_1_1681, fnuc420_c_4_895, fnuc_c_1_2008, fnucp_c_10_2293, fnucv_c_70_1443, fot370_c_132_1968, fper2555_c_22_2079, fper_c_36_1909 TTEEHEALR FK; FK; FK; FK; FK; FK; FK; FK MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ 5; 5; 5; 5; 5; 5; 5; 5 NH2-TTEEHEALR-COOH NA file4.mgf NA 891.2402 543.264770507813 2+ 2+ 1084.51490152832 0 0.0796606858260743 100 Doubtful +509 fnuc_c_1_996, fnucp_c_7_2080, fper2555_c_9_1371, fper_c_7_732 LHDIVLVAEGVGNVLDIEEK GK; GK; GK; GK LK; LR; LR; LR 216; 216; 216; 232 NH2-LHDIVLVAEGVGNVLDIEEK-COOH NA file4.mgf NA 4283.4975 721.396789550781 3+ 3+ 2161.16304907232 0 2.53683483367292 100 Doubtful +932 edur2534_c_19_2239, edur_c_6_1841, efae1080_c_1_3101, eita_c_17_1244, llac_c_1_2453, lpen_c_13_1722, lpla2113_c_1_875, lsal_c_1_1464, saga_c_1_220, sang_c_1_80, saus_c_6_1355, scon_c_2_1185, sdow_c_13_2197, sinf_c_13_1877, sint2361_c_1_1535, smit1998_c_4_1191, sora_c_4_873, sot056_c_1_1603, sot058_c_14_1337, spyo1356_c_1_1696, ssal_c_11_1697, ssob_c_221_2192 WYVVDATDVPLGR RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS 43; 16; 16; 16; 17; 11; 16; 16; 17; 17; 17; 17; 17; 17; 17; 17; 17; 17; 17; 17; 17; 17 NH2-WYVVDATDVPLGR-COOH NA file4.mgf NA 3492.0162 745.887084960938 2+ 2+ 1489.75652877601 0 2.07016497323277 100 Doubtful +492 fnucp_c_4_1704, fnucv_c_55_1247 VVVKEDNQEEVER AK; AK LA; LA 69; 47 NH2-VVVKEDNQEEVER-COOH NA file4.mgf NA 1184.3033 786.896850585938 2+ 2+ 1571.77911469539 0 0.0213133792340522 100 Doubtful +125 NCBIABWG_c_1_641, NCBIACDZ_c_1_435, NCBIACIK_c_2_832, adef_c_11_2804, agem_c_9_572, ahae_c_1_592, aot183_c_33_1378, aot848_c_4_1394, bant_c_1_3906, bcla_c_1_2407, bsub_c_1_4087, cmor_c_2_484, cot876_c_13_2070, cper_c_37_2377, dinv_c_1_425, dmic_c_1_13, ecas_c_2_366, edur2534_c_12_1712, edur_c_1_138, einf1695_c_5_850, eita_c_1_40, elim_c_1_2280, esab_c_36_2145, esac_c_1_3, eyur_c_11_898, falo_c_1_303, gadi_c_8_1361, gber_c_12_559, gele_c_2_284, ghae2070_c_1_218, gmor_c_1_78, gsan_c_6_511, jign_c_8_1290, laci_c_1_1252, lbre_c_1_1319, lbuc2428_c_1_1026, lbuch_c_19_1852, lcas_c_1_1767, lcol_c_3_582, lcri_c_1_1302, lfer_c_1_846, lfus_c_15_3117, lgas_c_1_796, line_c_4_865, ljoh_c_1_1340, lkis_c_7_438, llac1719_c_1_2450, llac_c_1_2338, lmon1053_c_1_1819, lori_c_4_326, lot082_c_59_2511, lot107_c_9_1331, lpar_c_51_2446, lpen_c_12_1604, lpla2113_c_1_1663, lreu_c_1_731, lrha_c_1_1590, lsal_c_1_551, lvag_c_5_384, mmic_c_1_372, mot131_c_3_572, mtim_c_1_96, oot078_c_1_323, oot108_c_1_1582, osin_c_17_596, pala_c_7_1373, pana_c_5_568, pot786_c_1_12, psto_c_30_1644, saga_c_1_1917, sang2334_c_12_1225, sang_c_12_660, sart2584_c_8_1349, saur1312_c_1_1324, saur_c_15_967, saus_c_11_1774, scap_c_3_569, scon_c_3_1668, scri_c_5_980, sdow_c_7_1808, sepi1324_c_1_788, sflu_c_3_498, sgor_c_1_1974, sinf_c_8_1499, sinfantis_c_3_1448, sinfelix_c_7_1558, sint2361_c_1_113, sint_c_3_913, slon_c_4_1515, smit1998_c_8_1605, smit_c_1_1252, smut_c_1_1864, snox_c_7_1012, soli_c_1_1992, sot056_c_1_1343, sot058_c_7_947, sot070_c_3_1364, sot071_c_9_1702, sot133_c_1_4, sot138_c_47_2120, sot149_c_35_2297, sot892_c_8_1213, spar_c_5_1194, spara_c_1_1360, sper_c_1_39, spne_c_1_2204, spyo1356_c_1_1820, ssal1367_c_1_75, ssal_c_11_1677, ssan_c_1_2145, ssat_c_2_1140, sspu_c_2_369, swar_c_1_29, vaty_c_20_1486, vot158_c_8_1681, vot780_c_19_1269, vpardsm_c_1_869 QLLEAGVHFGHQTR MK; MK; MK; MK; MK; MR; MR; MR; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MR; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; LK; MK RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 9; 8; 8; 8; 8; 8; 8; 8; 9; 8; 8; 8; 8; 8; 9; 3; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 3; 8; 8; 3; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 3; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 3; 8; 8; 8; 8; 8 pyro-QLLEAGVHFGHQTR-COOH Pyrolidone from Q(1) NA file4.mgf NA 2894.0462 788.406921386719 2+ 2+ 1574.79537389622 0 2.48345950063646 Pyrolidone from Q (0: 100.0) Pyrolidone from Q (1: 100.0) 100 Doubtful +408 scri_c_9_1413, sgor_c_1_150, soli_c_1_89, sot056_c_1_1425, ssan_c_1_95 DIPFPVDIVDVYR LK; LK; LK; LK; LK RS; RS; RS; RS; RS 73; 73; 73; 73; 73 NH2-DIPFPVDIVDVYR-COOH NA file4.mgf NA 4635.2477 774.410339355469 2+ 2+ 1546.80314461526 0 1.92479854688335 100 Doubtful +189 sang2334_c_19_1605, sang_c_5_305, saus_c_13_1905, scon_c_1_261, scri_c_8_1304, sint2361_c_1_472, sint_c_4_1134, smit1067_c_1_1521, smit1998_c_3_956, smit2_c_1_125, smit_c_1_1653, soli_c_1_1219, sora2005_c_1_592, sora_c_11_1597, sot056_c_1_738, sot058_c_2_356, sot066_c_1_176, sot070_c_2_907, sot071_c_3_910, spara_c_1_969, sper_c_9_1418, spne_c_1_1546, ssan_c_1_1693 VANFETASPLYMR HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE 102; 102; 102; 102; 102; 102; 102; 102; 102; 102; 52; 138; 102; 102; 102; 102; 102; 102; 102; 102; 102; 102; 102 NH2-VANFETASPLYMR-COOH NA file4.mgf NA 3083.7986 749.870422363281 2+ 2+ 1497.72859977601 0 -1.53891889284144 100 Doubtful +489 fnucp_c_10_2306, fnucv_c_111_1834 DGGAVAYLGNYFPLEDSR KR; KR VV; VV 29; 29 NH2-DGGAVAYLGNYFPLEDSR-COOH NA file4.mgf NA 4096.192 648.64404296875 3+ 3+ 1942.90610611366 0 2.15495757947695 100 Doubtful +630 fgon2550_c_17_1135, fnec_c_10_2443, fnuc420_c_3_743, fnuc_c_1_125, fnucp_c_1_218, fot370_c_28_874, fper2555_c_17_1857, fper_c_17_1307 IIVNMGVGEATQNSK EK; EK; EK; EK; EK; EK; EK; EK LM; LM; LI; LI; LM; LI; LI; LM 38; 38; 38; 38; 38; 38; 38; 38 NH2-IIVNMGVGEATQNSK-COOH Oxidation of M(5) NA file4.mgf NA 1798.1159 788.905822753906 2+ 2+ 1575.79265658455 0 2.81149028289434 Oxidation of M (5: Very Confident) Oxidation of M (5: 100.0) Oxidation of M (5: 100.0) 100 Doubtful +109 NCBIACIK_c_2_691, vaty_c_5_617, vot158_c_7_1580, vpardsm_c_1_1009 SILQYLEVSDGR LR; LR; LR; LR ME; ME; ME; ME 180; 180; 180; 180 NH2-SILQYLEVSDGR-COOH NA file4.mgf NA 3762.2649 690.363647460938 2+ 2+ 1378.70924423042 0 2.53327844337476 100 Doubtful +529 fgon2550_c_1_23, fgon_c_1_103, fnec_c_2_965, fnuc2539_c_1_503, fnuc420_c_5_1002, fnuc_c_1_793, fnucp_c_4_1701, fnucv_c_55_1244, fot370_c_1_17, fper_c_13_1124, pind_c_27_733, pot386_c_6_425 KPYAAVYEIIR NR; NR; NR; NR; NR; NR; NR; NR; NR; NR; NR; NR QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG 31; 31; 31; 31; 31; 31; 31; 27; 31; 31; 31; 31 NH2-KPYAAVYEIIR-COOH NA file4.mgf NA 2855.8436 661.877746582031 2+ 2+ 1321.73942215989 0 1.14679205976364 100 Doubtful +466 fnuc2539_c_1_1319, fnuc420_c_2_394, fnuc_c_1_1704, fnucp_c_1_593, fnucv_c_83_1572 LSQLEGVQAHSTHILGR SK; SK; SK; SK; SK ND; ND; ND; ND; ND 462; 462; 462; 459; 459 NH2-LSQLEGVQAHSTHILGR-COOH NA file4.mgf NA 2312.2582 616.003845214844 3+ 3+ 1844.98569384704 0 2.17120168890802 100 Doubtful +793 fnuc_c_1_889, fnucp_c_4_1593, fot370_c_35_994, fper2555_c_6_1106, fper_c_59_2295 SAPSIIDYLFEDERK YK; YK; YK; YK; YK HY; HY; HY; HY; HY 220; 220; 220; 220; 220 NH2-SAPSIIDYLFEDERK-COOH NA file4.mgf NA 4237.6428 891.951110839844 2+ 2+ 1781.88357976393 0 2.29216122742943 100 Doubtful +268 fot370_c_112_1848, fper2555_c_26_2209, fper_c_22_1513 DLGNVVIGQIVEFDKHPNSDR GK; GK; GK LT; LT; LT 52; 41; 41 NH2-DLGNVVIGQIVEFDKHPNSDR-COOH NA file4.mgf NA 3963.2103 784.737976074219 3+ 3+ 2351.18697240438 0 2.17755444482463 100 Doubtful +6 fnuc420_c_2_488, fnuc_c_1_1255, fnucp_c_2_1187, fot370_c_124_1922 KKLEIGVNTLADAVK AR; AR; AR; AR IT; VT; VT; VT 13; 13; 13; 13 NH2-KKLEIGVNTLADAVK-COOH NA file4.mgf NA 2791.998 799.977233886719 2+ 2+ 1597.94030679441 0 -0.244978534361064 100 Doubtful +150 aot458_c_3_299, aseg_c_11_1856 VTVAADADEESVK GK; GK AI; AI 814; 814 NH2-VTVAADADEESVK-COOH NA file4.mgf NA 1544.5187 667.329895019531 2+ 2+ 1332.64088988708 0 3.25718400268512 100 Doubtful +527 fnuc420_c_18_2182, fnuc_c_1_1018, fnucv_c_5_226 LIELVEKEYLR EK; EK; EK ND; SD; ND 5; 5; 5 NH2-LIELVEKEYLR-COOH NA file4.mgf NA 3082.3715 702.907775878906 2+ 2+ 1403.80241633927 0 -1.00832122066868 100 Doubtful +135 aact1954_c_23_1873, aact_c_1_2035, aaph_c_1_101, aot458_c_38_1706, aseg_c_4_1058, ecol1511_c_1_987, ecol_c_1_793, haeg_c_10_1264, hduc_c_1_833, hhae2076_c_25_2180, hinf_c_1_690, hot851_c_7_956, hpar1239_c_1_304, hpar_c_4_1077, kpne_c_1_1689 THNQGVFDVYTPDILR RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK CR; CR; CR; CR; CR; CR; CR; CR; CR; CR; CR; CR; CR; CR; CR 144; 144; 144; 144; 144; 144; 144; 144; 144; 144; 119; 144; 144; 144; 144 NH2-THNQGVFDVYTPDILR-COOH NA file4.mgf NA 3594.7529 937.977111816406 2+ 2+ 1873.93226129185 0 3.94968944842113 100 Doubtful +440 sang2334_c_4_496, sang_c_61_1763, saus_c_1_468, scon_c_4_1846, scri_c_4_833, sgor_c_1_1152, sinfantis_c_1_755, sint2361_c_1_964, sint_c_7_1737, smit1998_c_1_423, smit2_c_5_634, soli_c_1_678, sora2005_c_1_985, sora_c_2_571, sot058_c_1_242, sot066_c_4_1679, sot070_c_1_630, sot071_c_2_615, spar_c_11_1956, spara_c_1_492, spne_c_1_1164, ssan_c_1_1121 NSIPYETLSPFK NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347 NH2-NSIPYETLSPFK-COOH NA file4.mgf NA 3347.367 698.361511230469 2+ 2+ 1394.70818160126 0 0.206144029979415 100 Doubtful +165 fnuc2539_c_1_1602, fnuc420_c_9_1485, fnucp_c_3_1461, fper2555_c_11_1505, fper_c_33_1828, tmal_c_2_1958 NLMTAFAGESQAR EK; EK; EK; EK; EK; EQ NK; TK; NK; NK; NK; TK 11; 11; 11; 11; 11; 12 NH2-NLMTAFAGESQAR-COOH Oxidation of M(3) NA file4.mgf NA 2186.1461 706.336181640625 2+ 2+ 1410.65616311174 0 1.16604376854955 Oxidation of M (3: Very Confident) Oxidation of M (3: 100.0) Oxidation of M (3: 100.0) 100 Doubtful +357 aact1954_c_35_2166, aact_c_1_850, aaph_c_1_2083, aot458_c_3_344, aseg_c_2_466, haeg_c_7_985, hduc_c_1_1662, hhae2076_c_7_1032, hpar1239_c_1_709 GNTGENLLVLLEGR LK; LK; LK; LK; LK; LK; LK; LK; LK LD; LD; LD; LD; LD; LD; LD; LD; LD 84; 84; 84; 84; 84; 84; 86; 84; 84 NH2-GNTGENLLVLLEGR-COOH NA file4.mgf NA 4248.9751 742.909851074219 2+ 2+ 1483.79945621715 0 3.83156816971107 100 Doubtful +420 fnucp_c_2_1031 SIGTVQDIIVAAR IR GE 165 NH2-SIGTVQDIIVAAR-COOH NA file4.mgf NA 3314.9967 671.888244628906 2+ 2+ 1341.76161415645 0 0.239748066242236 100 Doubtful +41 NCBIACEA_c_4_540 GIGPIGLTAGEIADAVR AR EL 265 NH2-GIGPIGLTAGEIADAVR-COOH NA file4.mgf NA 4028.3006 805.456237792969 2+ 2+ 1608.88352019428 0 8.94063893527913 100 Doubtful +763 saga_c_1_809, sang_c_47_1598, saus_c_1_38, scri_c_1_357, sdow_c_1_265, sgor_c_1_758, sinf_c_1_199, sinfantis_c_5_1556, sint2361_c_1_683, smit1067_c_1_907, smit1998_c_1_320, smit2_c_2_366, smit_c_1_512, smut_c_1_658, soli_c_1_1399, sora_c_2_489, sot066_c_1_63, sot070_c_1_554, sot071_c_4_982, spara_c_1_854, sper_c_6_1127, spne_c_1_1500, spyo1356_c_1_495, spyo_c_1_529, ssal1367_c_1_1523, ssal_c_2_644, ssan_c_1_1478, ssob_c_102_1612, sves_c_3_1443 TTLTAAITTVLAR GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 43; 43; 26; 26; 26; 26; 26 NH2-TTLTAAITTVLAR-COOH NA file4.mgf NA 4109.6743 666.399475097656 2+ 2+ 1330.78201524786 0 1.78722986275236 100 Doubtful +650 fnec_c_6_1851, fnucp_c_4_1757, fnucv_c_129_1972, fot370_c_13_524, fper2555_c_1_20, fper_c_6_699 NVLVIGAETLSR YK; YK; YR; YK; YK; YK IM; II; II; II; II; II 134; 134; 134; 134; 134; 134 NH2-NVLVIGAETLSR-COOH NA file4.mgf NA 3188.9512 636.370544433594 2+ 2+ 1270.72450037174 0 1.5993552002808 100 Doubtful +481 NCBIACIK_c_8_1942, vot780_c_3_450, vpardsm_c_1_621 IFTGNANPALAK LK; LK; LK EI; EI; EI 11; 11; 11 NH2-IFTGNANPALAK-COOH NA file4.mgf NA 2032.5216 608.839782714844 2+ 2+ 1215.66117183919 0 3.15408839576284 100 Doubtful +70 aact1954_c_19_1762, hduc_c_1_547 EALEAFEAALENVRPTVEVK GK; GK SR; SR 57; 57 NH2-EALEAFEAALENVRPTVEVK-COOH NA file4.mgf NA 4296.0422 739.059997558594 3+ 3+ 2214.15321266461 0 2.23284614034141 100 Doubtful +887 vot158_c_1_170, vpardsm_c_1_283 EVPDTEEPYR LR; LR YI; YI 385; 385 NH2-EVPDTEEPYR-COOH NA file4.mgf NA 1576.046 617.78369140625 2+ 2+ 1233.55134660669 0 1.20048002795768 100 Doubtful +526 jign_c_12_1676, oot108_c_1_1093, osin_c_80_1695 GNPDHIESSNATR PK; PK; PK YG; YG; YG 241; 242; 242 NH2-GNPDHIESSNATR-COOH NA file4.mgf NA 912.7879 699.325012207031 2+ 2+ 1396.63311916804 0 1.6818477193753 100 Doubtful +341 fnuc_c_1_1363, fnucp_c_2_1051, fnucv_c_61_1341, fot370_c_26_830, fper2555_c_4_870, fper_c_63_2335 KFGGADTLATSNTIAAAIR DR; DR; DR; DR; DR; DR KI; KI; KI; KI; KI; KI 88; 88; 88; 88; 88; 88 NH2-KFGGADTLATSNTIAAAIR-COOH NA file4.mgf NA 3043.8626 626.674743652344 3+ 3+ 1877.00067520484 0 0.918261218329007 100 Doubtful +428 fnuc2539_c_1_336, fnuc420_c_14_1994, fnuc_c_1_365, fnucp_c_1_275, fnucv_c_73_1464 GFVYELDFDYIR GR; GR; GR; GR; GR SL; SL; SL; SL; SL 60; 60; 60; 60; 60 NH2-GFVYELDFDYIR-COOH NA file4.mgf NA 4202.93 768.874206542969 2+ 2+ 1535.72964532183 0 2.74091782530716 100 Doubtful +326 fnuc_c_1_918, fnucp_c_4_1551, fnucv_c_265_2395, fper2555_c_32_2333, fper_c_54_2235 VYYNHSGFPGGIR DK; DK; DK; DK; DK AR; AR; AR; AR; AR 75; 75; 41; 75; 75 NH2-VYYNHSGFPGGIR-COOH NA file4.mgf NA 2284.7584 733.863952636719 2+ 2+ 1465.71024728993 0 2.11555319040062 100 Doubtful +306 NCBIACDX_c_26_2230, NCBIACEA_c_3_422, NCBIACEN_c_47_2032, NCBIACEO_c_11_1863, NCBIACEQ_c_16_1207, axyl_c_1_1161, bcep_c_1_2779, bper_c_1_2556, cpne_c_1_518, hpyl2409_c_1_112, hpyl_c_1_112, kora_c_1_14, lmir_c_2_915, nbac_c_15_1428, nelo_c_8_1077, ngon_c_16_1057, nlac2159_c_1_1810, nmen1276_c_1_585, nmen_c_20_1156, not014_c_17_1990, not020_c_14_563, npol_c_1_25, nsic_c_12_1563, nwea_c_13_1487, paer_c_1_5281, pasa2160_c_1_936, pflu1300_c_1_842, pflu_c_1_757, poti_c_1_72, ppse_c_17_3503, pstu_c_1_3341, rpic_c_1_2490, smal1329_c_1_1917, smal_c_1_1608, smue_c_1_66 VTEAVITVPAYFNDSQR EK; EK; EK; EK; EK; EE; EP; EE; ET; ES; ES; EK; EE; EK; EK; EK; EK; EK; EK; EK; EK; EK; EK; EK; EP; TE; EA; EA; EP; EP; EP; EE; EK; EK; EK QA; QA; QA; QA; QA; QA; QA; QA; AS; KA; KA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA 135; 135; 135; 135; 135; 135; 135; 135; 138; 150; 134; 135; 135; 135; 135; 135; 135; 135; 120; 135; 135; 135; 135; 135; 135; 133; 135; 135; 135; 135; 135; 135; 136; 136; 135 NH2-VTEAVITVPAYFNDSQR-COOH NA file4.mgf NA 3437.3301 637.32568359375 3+ 3+ 1908.95814168652 0 -1.5273725409332 100 Doubtful +681 saga_c_1_636, saus_c_1_62, sdow_c_3_1182, smit1998_c_1_480, smut_c_1_1148, sot056_c_1_1905, ssan_c_1_862, ssob_c_50_1036 VQLVGDDFFVTNTDYLAR GR; KK; DR; KK; DR; KK; KK; NR GI; GI; GI; GI; GI; GI; GI; GI 314; 313; 312; 313; 311; 313; 313; 312 NH2-VQLVGDDFFVTNTDYLAR-COOH NA file4.mgf NA 4123.9856 1037.02185058594 2+ 2+ 2072.02147021907 0 3.70197002148196 100 Doubtful +94 sang_c_6_349, saus_c_9_1578, scri_c_2_506, sgor_c_1_1720, sinfantis_c_1_264, sint2361_c_1_376, smit1067_c_1_1843, smit1998_c_2_819, sora2005_c_1_1599, sora_c_14_1731, sot056_c_1_908, sot066_c_2_893, spara_c_1_1918, sper_c_3_603, spne_c_1_456 EMSIIALAQGR AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR AK; AK; AK; AQ; AK; AK; AK; AK; AK; AK; AQ; AK; AK; AK; AK 34; 34; 34; 34; 34; 34; 34; 34; 34; 34; 34; 34; 34; 34; 34 NH2-EMSIIALAQGR-COOH Oxidation of M(2) NA file4.mgf NA 2811.6571 602.822998046875 2+ 2+ 1203.62815745875 0 2.72526955738593 Oxidation of M (2: Very Confident) Oxidation of M (2: 100.0) Oxidation of M (2: 100.0) 100 Doubtful +582 fnuc_c_1_198 ALSYVIPTEEEFPYTIR ER VV 419 NH2-ALSYVIPTEEEFPYTIR-COOH NA file4.mgf NA 3962.5189 1014.52264404297 2+ 2+ 2027.02515861718 0 2.74836175040873 100 Doubtful +559 eita_c_1_113, esac_c_2_424, saga_c_1_636, sgor_c_1_1423, soli_c_1_590, sot056_c_1_1905, ssan_c_1_862 AVDNVNNVIAEAIIGYDVR TK; TK; QK; QK; QK; QK; QK DQ; DQ; DQ; DQ; DQ; DQ; DQ 67; 67; 67; 67; 67; 67; 67 NH2-AVDNVNNVIAEAIIGYDVR-COOH NA file4.mgf NA 4453.2529 1023.04174804688 2+ 2+ 2044.05891835695 0 4.89953235613173 100 Doubtful +554 hpar1239_c_1_1008 LSAELQGFYPLDR YK DH 603 NH2-LSAELQGFYPLDR-COOH NA file4.mgf NA 3556.186 754.892456054688 2+ 2+ 1507.76709345971 0 2.16303864164589 100 Doubtful +621 fnucp_c_6_1967, fper2555_c_15_1766, fper_c_52_2206 QLAIDVNIPQTLR VR; VR; VR EL; EL; EL 328; 328; 328 NH2-QLAIDVNIPQTLR-COOH NA file4.mgf NA 3569.2449 740.931091308594 2+ 2+ 1479.84092710631 0 4.5230977944508 100 Doubtful +923 fot370_c_97_1746, fper2555_c_3_703, fper_c_2_320 DLGLLTANEPFKR LR; LR; LR LL; LL; LL 552; 552; 552 NH2-DLGLLTANEPFKR-COOH NA file4.mgf NA 3195.3317 491.940399169922 3+ 3+ 1472.79872794116 0 0.433771007261775 100 Doubtful +139 aact1954_c_15_1548, aact_c_1_651, aaph_c_1_1528, aot458_c_5_484, aseg_c_7_1480, hhae2076_c_6_920, hot851_c_5_726, hpar1239_c_1_371, hpar_c_4_995, pmir1289_c_1_3008 ADGSVDFDDGSKTENTR VR; VR; VR; VR; VR; VR; VR; VR; VR; VL VS; VS; VS; VS; VS; VS; VS; VS; VS; VS 315; 315; 315; 315; 315; 315; 315; 315; 315; 316 NH2-ADGSVDFDDGSKTENTR-COOH NA file4.mgf NA 1412.5964 907.396301269531 2+ 2+ 1812.77621414292 0 1.01139070724747 100 Doubtful +926 NCBIACIK_c_2_609, agem_c_39_1680, cmor_c_3_774, dinv_c_1_598, dmic_c_7_729, ecas2549_c_8_1846, ecas_c_6_1136, edur2534_c_23_2497, edur_c_4_1338, efae1080_c_1_2532, eita_c_18_1332, esac_c_28_2751, eyur_c_4_382, fgon2550_c_11_894, fgon_c_5_579, fnec_c_11_2541, fnuc420_c_2_488, fnuc_c_1_1255, fnucp_c_2_1187, fot370_c_124_1922, fper2555_c_5_1014, fper_c_51_2186, gadi_c_1_52, gele_c_4_669, mmic_c_12_1496, mtim_c_11_1209, pot786_c_90_3255, saga_c_1_2078, sang2334_c_23_1773, sang_c_1_19, saus_c_5_1179, scon_c_2_1256, scri_c_5_1026, sdow_c_5_1582, sgor_c_1_1874, sinf_c_5_1205, sinfantis_c_1_214, sint2361_c_1_1626, sint_c_2_530, smit1067_c_1_480, smit1998_c_9_1635, smit2_c_33_1903, smit_c_1_1003, smit_c_1_1004, smut_c_1_1789, soli_c_1_1960, sora2005_c_1_367, sora_c_13_1710, sot056_c_1_1033, sot058_c_8_1067, sot066_c_2_706, sot070_c_2_1111, sot071_c_10_1808, spar_c_2_419, spara_c_1_1682, sper_c_3_557, spne_c_1_1899, spyo1356_c_1_1802, spyo_c_1_1707, ssal1367_c_1_185, ssal_c_7_1357, ssan_c_1_221, ssob_c_31_757, sspu_c_31_2220, sves_c_5_1706, vaty_c_40_1877, vot158_c_7_1619, vot780_c_10_985, vpardsm_c_1_1047 LRIEDALNATR KK; KK; RK; KR; KR; LK; LK; LK; LK; LK; LK; LK; KK; RK; RK; RK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; RK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; KK; MK; KK; KK; KK; KK AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 263; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 70; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392 NH2-LRIEDALNATR-COOH NA file4.mgf NA 2532.9446 636.359741210938 2+ 2+ 1270.69934825306 0 4.38530229504692 100 Doubtful +225 fnucp_c_3_1414 GPYVLISSQTYPNIEDIEKDPIITR EK NT 164 NH2-GPYVLISSQTYPNIEDIEKDPIITR-COOH NA file4.mgf NA 4009.7696 954.502807617188 3+ 3+ 2860.48583974467 0 0.263210909356316 100 Doubtful +213 sang2334_c_29_2011, sang_c_8_469, saus_c_5_1217, scon_c_2_1318, scri_c_13_1684, sgor_c_1_1915, sinfantis_c_6_1677, sint2361_c_1_1680, sint_c_2_463, sot056_c_1_1072, sot058_c_9_1077, sot066_c_2_665, spar_c_2_381, spara_c_1_1645, ssan_c_1_174 GEVTAIEEDASTR VK; VK; VK; VK; VK; VK; VK; VK; VK; VK; VK; VK; VK; VK; VK TK; TK; TK; TK; TK; TK; TK; TK; TK; TK; TK; TK; TK; TK; TK 977; 977; 977; 977; 968; 977; 977; 977; 977; 977; 977; 977; 977; 977; 968 NH2-GEVTAIEEDASTR-COOH NA file4.mgf NA 2035.4643 689.3291015625 2+ 2+ 1376.64195251624 0 1.23139819734881 100 Doubtful +61 aaph_c_1_298, aot458_c_6_608, hhae2076_c_3_426, hot851_c_9_1191, hpar1239_c_1_1408 DAVNNTPFVLLTSNDK VK; VK; VK; VK; VK SH; SH; SH; TH; SH 105; 105; 105; 105; 106 NH2-DAVNNTPFVLLTSNDK-COOH NA file4.mgf NA 3686.4352 874.44873046875 2+ 2+ 1746.87882873666 0 2.33248479208811 100 Doubtful diff -r 000000000000 -r de3c2c88e710 test-data/foo.tab --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/foo.tab Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,4 @@ +#This is a file +#file data +foo.mgf bar +foo.mgf bar4 diff -r 000000000000 -r de3c2c88e710 test-data/foo2.tab --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/foo2.tab Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,3 @@ +#This is a file +#file data +foo2.mgf bar2 diff -r 000000000000 -r de3c2c88e710 test-data/foo3.tab --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/foo3.tab Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,3 @@ +#This is a file +#file data +foo3.mgf bar3 diff -r 000000000000 -r de3c2c88e710 test-data/psm.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/psm.tabular Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,201 @@ + Protein(s) Sequence AAs Before AAs After Position Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Localization Confidence Probabilistic PTM score D-score Confidence [%] Validation +347 fnucp_c_1_738 YSNEDVKEEDLNK RR IL 16 NH2-YSNEDVKEEDLNK-COOH NA file2.mgf NA 1301.235 791.8662109375 2+ 2+ 1581.71584573249 0 1.27749577022674 100 Doubtful +425 aaph_c_1_2183, hhae2076_c_16_1782, hinf_c_1_1334, hot851_c_11_1302, hpar1239_c_1_755, hpar_c_10_1735 SGATGVFTDFPDTGVEFLK NK; NK; NK; NK; NK; NK KQ; GK; GI; GK; KQ; KQ 339; 343; 343; 343; 340; 340 NH2-SGATGVFTDFPDTGVEFLK-COOH NA file2.mgf NA 4254.5871 994.487915039063 2+ 2+ 1986.95747298018 0 1.91262836858352 100 Doubtful +121 gadi_c_1_154, gele_c_1_97 IVINMGVGDATSNAK EK; EK NL; NL 34; 34 NH2-IVINMGVGDATSNAK-COOH NA file4.mgf NA 2594.8197 745.389038085938 2+ 2+ 1488.76062818028 0 1.94198160017953 100 Doubtful +598 fnucp_c_6_1952, fper2555_c_23_2106, fper_c_9_903 VIAVLVGENLDEVAK KK; KK; KK KC; KC; KC 38; 38; 38 NH2-VIAVLVGENLDEVAK-COOH NA file2.mgf NA 3565.4679 784.951843261719 2+ 2+ 1567.88212321195 0 4.46550271095854 100 Doubtful +290 aact1954_c_51_2237, aact_c_1_381, aact_c_1_625, hhae2076_c_35_2415, hhae2076_c_48_2527, hhae2076_c_50_2535, hinf_c_1_1270, hot851_c_32_1760, hpar1239_c_1_453, hpar_c_26_2006 ILELANHLDTYIPEPER EK; EK; EK; EK; EK; EK; EK; EK; EK; EK AI; AI; AI; AI; AI; AI; AI; AI; AI; AI 188; 189; 189; 189; 189; 136; 189; 189; 189; 162 NH2-ILELANHLDTYIPEPER-COOH NA file1.mgf NA 3531.2049 1012.03259277344 2+ 2+ 2022.04220566365 0 4.16339589573139 100 Doubtful +229 fnuc420_c_1_102, fnucp_c_2_1111, fnucv_c_162_2140, fot370_c_75_1534, fper2555_c_1_145, fper_c_53_2217 DDVDAMSMEK IK; IK; IK; IK; IK; IK VV; VV; VA; VV; VV; VV 288; 288; 205; 288; 288; 288 NH2-DDVDAMSMEK-COOH NA file2.mgf NA 1743.2385 570.732238769531 2+ 2+ 1139.44747578511 0 2.14533665243431 100 Doubtful +343 ecas2549_c_6_1415, ecas_c_11_1734, edur2534_c_2_383, esac_c_2_453, laci_c_1_769, lcol_c_4_902, lcri_c_1_776, lfer_c_1_502, lreu_c_1_501, lvag_c_3_229, sang2334_c_2_202, sang_c_15_751, scon_c_1_470, scri_c_3_789, soli_c_1_620 IMEVPVGDALIGR GK; GK; GK; GK; GR; GR; GR; GR; GR; GR; GK; GK; GK; GK; GK VV; VV; VV; VV; VV; VV; VV; VV; VV; VV; VV; VV; VV; VV; VV 94; 94; 94; 94; 94; 94; 94; 94; 94; 94; 94; 94; 94; 94; 94 NH2-IMEVPVGDALIGR-COOH Oxidation of M(2) NA file3.mgf NA 3001.9728 693.379821777344 2+ 2+ 1384.73843618372 0 4.79857436469376 Oxidation of M (2: Very Confident) Oxidation of M (2: 100.0) Oxidation of M (2: 100.0) 100 Doubtful +851 fnucp_c_6_2022 DFLSSLPTGR QK AI 919 NH2-DFLSSLPTGR-COOH NA file4.mgf NA 3174.7574 546.788940429688 2+ 2+ 1091.56112344475 0 2.01584677607999 100 Doubtful +944 fnucp_c_2_1031 TGTTTTTNTER YK GN 37 NH2-TGTTTTTNTER-COOH NA file2.mgf NA 704.243 591.783935546875 2+ 2+ 1181.55240923585 0 0.767953402397693 100 Doubtful +697 NCBIACIK_c_2_609, agem_c_39_1680, cmor_c_3_774, dinv_c_1_598, dmic_c_7_729, ecas2549_c_8_1846, ecas_c_6_1136, edur2534_c_23_2497, edur_c_4_1338, efae1080_c_1_2532, eita_c_18_1332, esac_c_28_2751, eyur_c_4_382, fgon2550_c_11_894, fgon_c_5_579, fnec_c_11_2541, fnuc420_c_2_488, fnuc_c_1_1255, fnucp_c_2_1187, fot370_c_124_1922, fper2555_c_5_1014, fper_c_51_2186, gadi_c_1_52, gele_c_4_669, mmic_c_12_1496, mtim_c_11_1209, pot786_c_90_3255, saga_c_1_2078, sang2334_c_23_1773, sang_c_1_19, saus_c_5_1179, scon_c_2_1256, scri_c_5_1026, sdow_c_5_1582, sgor_c_1_1874, sinf_c_5_1205, sinfantis_c_1_214, sint2361_c_1_1626, sint_c_2_530, smit1067_c_1_480, smit1998_c_9_1635, smit2_c_33_1903, smit_c_1_1003, smit_c_1_1004, smut_c_1_1789, soli_c_1_1960, sora2005_c_1_367, sora_c_13_1710, sot056_c_1_1033, sot058_c_8_1067, sot066_c_2_706, sot070_c_2_1111, sot071_c_10_1808, spar_c_2_419, spara_c_1_1682, sper_c_3_557, spne_c_1_1899, spyo1356_c_1_1802, spyo_c_1_1707, ssal1367_c_1_185, ssal_c_7_1357, ssan_c_1_221, ssob_c_31_757, sspu_c_31_2220, sves_c_5_1706, vaty_c_40_1877, vot158_c_7_1619, vot780_c_10_985, vpardsm_c_1_1047 LRIEDALNATR KK; KK; RK; KR; KR; LK; LK; LK; LK; LK; LK; LK; KK; RK; RK; RK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; RK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; KK; MK; KK; KK; KK; KK AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 263; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 70; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392 NH2-LRIEDALNATR-COOH NA file4.mgf NA 2563.4706 636.358520507813 2+ 2+ 1270.69934825306 0 2.46703437346327 100 Doubtful +952 NCBIABZW_c_1_1765, NCBIACFE_c_3_1141, NCBIACIK_c_3_1174, agem_c_25_1303, amin_c_3_1453, aomn_c_21_1471, aot199_c_2_1386, aot810_c_19_1178, aoti_c_21_1564, apar_c_1_190, apre_c_1_353, atet_c_26_1636, avag_c_1_488, bot274_c_2_449, ccurt_c_1_995, cot876_c_9_1574, dinv_c_1_735, dmic_c_17_1155, elen_c_1_956, elim_c_1_1015, eton_c_4_1650, eyur_c_18_1215, falo_c_1_1561, lgas_c_1_227, llac1719_c_1_1649, llac_c_1_1622, mmic_c_17_1645, oot809_c_1_190, opro_c_4_727, ouli_c_1_201, pden2021_c_1_660, pden_c_1_144, plac2505_c_1_224, plac_c_5_667, pot192_c_1_101, pot786_c_27_1616, pot836_c_4_394, saga_c_1_980, sang2334_c_4_518, sang_c_65_1793, saus_c_1_473, scon_c_4_1863, scri_c_1_88, sdow_c_2_674, sexi_c_2_767, sgor_c_1_1119, sinf_c_2_522, sinfantis_c_7_1791, sint2361_c_1_968, sint_c_7_1733, smit1067_c_1_1339, smit1998_c_1_334, smit2_c_3_376, smit_c_1_736, smut_c_1_979, soli_c_1_916, sora2005_c_1_1065, sora_c_2_492, sot056_c_1_137, sot058_c_1_77, sot066_c_4_1684, sot066_c_4_1687, sot070_c_1_557, sot071_c_13_1894, spar_c_11_1951, spara_c_1_496, sper_c_2_396, spne_c_1_1459, spyo1356_c_1_1018, spyo_c_1_953, ssal_c_16_1859, ssan_c_1_1127, ssob_c_76_1349, sves_c_2_1296, swig_c_1_297, tden_c_1_1683, vaty_c_3_446, vot158_c_1_258, vot780_c_1_155, vpardsm_c_1_187 QPFPGPGIAIR WR; YR; WR; WR; YR; WR; YR; YR; WR; YR; WR; WR; YR; WR; HR; WR; NR; NR; HR; WR; NR; HR; WR; WR; WR; WR; WR; YR; YR; WR; WR; WR; DR; DR; WR; WR; DR; WR; WR; WR; WR; WR; WR; WR; HR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; HR; WR; WR; WR; WR II; II; VM; VM; II; IV; II; II; VL; II; VI; VI; II; II; II; VL; II; IV; II; VM; IL; VM; VM; VL; VL; VL; VM; II; II; II; II; II; IM; IM; VI; VL; IM; VM; VM; VM; VM; IM; VM; VM; II; VM; VM; VM; IM; IM; VM; VM; VM; VM; VM; VM; VM; VM; VM; IM; VM; VM; VM; VM; VM; VM; VM; VM; VM; VM; VM; VM; VM; VM; II; IM; VM; VM; VM; VM 392; 397; 387; 387; 402; 395; 397; 395; 394; 394; 386; 386; 403; 387; 395; 385; 387; 387; 400; 388; 386; 385; 386; 393; 389; 389; 387; 395; 395; 394; 395; 388; 380; 380; 390; 388; 380; 396; 395; 395; 397; 395; 395; 393; 395; 394; 396; 396; 395; 395; 396; 396; 396; 396; 393; 395; 396; 396; 394; 396; 34; 397; 396; 396; 397; 397; 396; 396; 396; 396; 396; 396; 393; 396; 395; 402; 387; 387; 320; 387 NH2-QPFPGPGIAIR-COOH NA file1.mgf NA 2999.9615 576.825256347656 2+ 2+ 1151.64512785223 0 -7.94696277832691 100 Doubtful +513 fnuc420_c_5_1120, fnucp_c_1_320, fot370_c_39_1069 IADAPLVEGLIAGVAVNDEK IK; IK; IK AD; AD; AD 94; 94; 94 NH2-IADAPLVEGLIAGVAVNDEK-COOH NA file1.mgf NA 4459.3129 665.36767578125 3+ 3+ 1993.07317143876 0 4.02110347944937 100 Doubtful +412 haeg_c_2_393, hhae2076_c_9_1257, hinf_c_1_1726, hot851_c_3_439, hpar1239_c_1_197, hpar_c_3_696 NVDGHDAEQIR IR; IR; IR; IR; IR; IR AA; QA; AA; QA; AA; AA 215; 215; 215; 215; 215; 215 NH2-NVDGHDAEQIR-COOH NA file2.mgf NA 1118.4025 627.297668457031 2+ 2+ 1252.5796270432 0 0.922160533025422 100 Doubtful +914 gadi_c_7_1297, gele_c_8_1129 NWVVIDATDVPLGR ER; ER LS; LS 15; 15 NH2-NWVVIDATDVPLGR-COOH NA file1.mgf NA 3760.3681 777.919799804688 2+ 2+ 1553.82019166173 0 3.12052037560668 100 Doubtful +141 fgon2550_c_2_197, fgon_c_34_1639, fnuc420_c_4_937, fnuc_c_1_853, fnucp_c_4_1631, fnucv_c_95_1697, fot370_c_16_619, fper2555_c_5_1030, fper_c_27_1676, lbuc_c_1_1988, lgoo2629_c_1_1400, lgoo_c_5_436, lhof2581_c_7_2044, lhof_c_4_1315, lot215_c_22_1682, lot225_c_156_2290, lot879_c_16_913, lsha_c_7_1665, lwad_c_28_1936 QTGHHLNVNVFGR FK; FK; FK; FK; FK; FK; FK; FK; FK; FN; FN; FN; FN; FN; FN; FN; FN; FN; FN EL; EL; EL; EL; EL; EL; EL; EL; EL; DL; EL; EL; EL; EL; EL; EL; EL; DL; DL 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684; 684 pyro-QTGHHLNVNVFGR-COOH Pyrolidone from Q(1) NA file3.mgf NA 2491.2416 731.369995117188 2+ 2+ 1460.7272943364 0 -1.26955802335559 Pyrolidone from Q (0: 100.0) Pyrolidone from Q (1: 100.0) 100 Doubtful +63 NCBIABQV_c_5_729, ecas_c_7_1300, edur2534_c_1_31, edur_c_5_1611, efae1080_c_1_20, eita_c_2_200, esac_c_6_1331, lcas_c_1_2988, lfer_c_1_451, lgas_c_1_1751, line_c_5_884, ljoh_c_1_1822, lmon1053_c_1_2954, lpen_c_23_2249, lpla2113_c_1_489, lrha_c_1_2760, lsal_c_1_699, sang_c_11_577, saus_c_10_1729, scon_c_1_21, scri_c_2_523, sdow_c_5_1507, sgor_c_1_1678, sinf_c_7_1407, sint2361_c_1_321, sint_c_4_1285, smut_c_1_1723, soli_c_1_1747, sot056_c_1_770, sot066_c_2_929, spar_c_10_1829, spara_c_1_1957, ssan_c_1_1864, ssob_c_112_1703 STFIQGSWNYER WR; WR; WR; WR; WR; WR; WR; WR; MR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR; WR MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ 19; 19; 20; 20; 19; 19; 19; 19; 20; 23; 23; 23; 19; 25; 25; 19; 20; 19; 19; 19; 19; 19; 19; 19; 19; 19; 19; 19; 19; 19; 19; 19; 29; 19 NH2-STFIQGSWNYER-COOH NA file2.mgf NA 3079.8075 744.351318359375 2+ 2+ 1486.68409211174 0 2.68131726920278 100 Doubtful +23 fnucp_c_3_1241 KLGYEVIEQAIPR AK EL 229 NH2-KLGYEVIEQAIPR-COOH NA file3.mgf NA 3194.4363 758.430541992188 2+ 2+ 1514.84567813358 0 0.562291207815744 100 Doubtful +578 aden2573_c_9_902, ager2575_c_7_1667, agra_c_4_1097, aisr_c_35_2609, ajoh_c_11_799, amas_c_24_1219, anae_c_1_2178, aot171_c_23_540, aot448_c_13_1487 TNTALADLVFSDVPGR RR; RR; RL; RR; RR; RR; RR; RR; RR VA; VA; VA; VA; VA; VA; VA; VA; VA 135; 135; 135; 135; 135; 135; 135; 135; 135 NH2-TNTALADLVFSDVPGR-COOH NA file2.mgf NA 3997.9022 838.437805175781 2+ 2+ 1674.85769936926 0 2.00256678651046 100 Doubtful +657 fnuc2539_c_1_1682, fnuc420_c_4_894, fnuc_c_1_2009, fnuc_c_1_427, fnucp_c_10_2292, fnucv_c_1_39, fnucv_c_70_1442 LQAYVTQAINTDKR YK; YK; YK; YK; YK; YK; YK DL; DL; DL; DL; DL; DL; DL 939; 994; 945; 943; 985; 944; 978 NH2-LQAYVTQAINTDKR-COOH NA file1.mgf NA 2188.3115 810.94091796875 2+ 2+ 1619.86311910287 0 2.56733357720634 100 Doubtful +754 NCBIACIK_c_3_1102, vaty_c_3_379, vot158_c_1_332, vpardsm_c_1_111 TIFIVGFDGTADADK GK; GK; GK; GK AV; AV; AV; AV 238; 238; 238; 239 NH2-TIFIVGFDGTADADK-COOH NA file1.mgf NA 3598.3863 785.397705078125 2+ 2+ 1568.7722384098 0 5.48693996741914 100 Doubtful +130 saus_c_1_540, scon_c_4_1907, sint2361_c_1_928, sot066_c_4_1620, spar_c_4_868, spara_c_1_439, ssan_c_1_1186 ELTNDRDADINDLVKPGETLELLVLR LR; LR; LR; LR; LR; LR; LR QV; QV; QV; QV; QV; QV; QV 49; 49; 49; 49; 49; 49; 49 NH2-ELTNDRDADINDLVKPGETLELLVLR-COOH NA file3.mgf NA 4556.4017 984.531372070313 3+ 3+ 2950.56112994325 0 3.77740100971689 100 Doubtful +151 fnuc420_c_1_102, fnucp_c_2_1111, fnucv_c_162_2140, fot370_c_75_1534, fper2555_c_1_145, fper_c_53_2217 DDVDAMSMEK IK; IK; IK; IK; IK; IK VV; VV; VA; VV; VV; VV 288; 288; 205; 288; 288; 288 NH2-DDVDAMSMEK-COOH Oxidation of M(6) NA file3.mgf NA 1209.0085 578.727783203125 2+ 2+ 1155.44239040467 0 -1.18961837185172 Oxidation of M (6: Very Confident) Oxidation of M (6: 99.99874037807513, 8: 0.0012596219248667585) Oxidation of M (6: 100.0) 100 Doubtful +928 fnucp_c_6_2015, fnucp_c_6_2016 TGVAYGLIYSR GK; GK KG; KG 872; 968 NH2-TGVAYGLIYSR-COOH NA file2.mgf NA 2831.2973 600.324829101563 2+ 2+ 1198.63462273818 0 0.401892019334039 100 Doubtful +374 fnuc420_c_18_2182, fnuc_c_1_1018, fnucv_c_5_226 LIELVEKEYLR EK; EK; EK ND; SD; ND 5; 5; 5 NH2-LIELVEKEYLR-COOH NA file1.mgf NA 3050.9102 702.909973144531 2+ 2+ 1403.80241633927 0 2.11764136624824 100 Doubtful +176 fnuc2539_c_1_1681, fnuc420_c_4_895, fnuc_c_1_2008, fnucp_c_10_2293, fnucv_c_70_1443, fot370_c_132_1968, fper2555_c_22_2079, fper_c_36_1909 TTEEHEALR FK; FK; FK; FK; FK; FK; FK; FK MQ; MQ; MQ; MQ; MQ; MQ; MQ; MQ 5; 5; 5; 5; 5; 5; 5; 5 NH2-TTEEHEALR-COOH NA file4.mgf NA 891.2402 543.264770507813 2+ 2+ 1084.51490152832 0 0.0796606858260743 100 Doubtful +447 fgon2550_c_23_1318, fper2555_c_21_2030, fper_c_3_364 EAAPKEEAEAIKEK IK; IK; IK LT; LT; LT 97; 97; 97 NH2-EAAPKEEAEAIKEK-COOH NA file2.mgf NA 1213.1991 771.903625488281 2+ 2+ 1541.79370213037 0 -0.650396465740847 100 Doubtful +509 fnuc_c_1_996, fnucp_c_7_2080, fper2555_c_9_1371, fper_c_7_732 LHDIVLVAEGVGNVLDIEEK GK; GK; GK; GK LK; LR; LR; LR 216; 216; 216; 232 NH2-LHDIVLVAEGVGNVLDIEEK-COOH NA file4.mgf NA 4283.4975 721.396789550781 3+ 3+ 2161.16304907232 0 2.53683483367292 100 Doubtful +307 fnuc420_c_2_531, fnuc_c_1_1213, fnucp_c_3_1248, fnucv_c_17_557, fot370_c_92_1709, fper2555_c_1_277, fper_c_1_14 THELEKVEER FK; FK; FK; FK; FK; FK; FK VM; VM; VM; VM; VM; VM; VM 32; 32; 32; 32; 32; 32; 32 NH2-THELEKVEER-COOH NA file1.mgf NA 1026.3228 635.325134277344 2+ 2+ 1268.63607929016 0 -0.286206993088009 100 Doubtful +932 edur2534_c_19_2239, edur_c_6_1841, efae1080_c_1_3101, eita_c_17_1244, llac_c_1_2453, lpen_c_13_1722, lpla2113_c_1_875, lsal_c_1_1464, saga_c_1_220, sang_c_1_80, saus_c_6_1355, scon_c_2_1185, sdow_c_13_2197, sinf_c_13_1877, sint2361_c_1_1535, smit1998_c_4_1191, sora_c_4_873, sot056_c_1_1603, sot058_c_14_1337, spyo1356_c_1_1696, ssal_c_11_1697, ssob_c_221_2192 WYVVDATDVPLGR RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS; LS 43; 16; 16; 16; 17; 11; 16; 16; 17; 17; 17; 17; 17; 17; 17; 17; 17; 17; 17; 17; 17; 17 NH2-WYVVDATDVPLGR-COOH NA file4.mgf NA 3492.0162 745.887084960938 2+ 2+ 1489.75652877601 0 2.07016497323277 100 Doubtful +492 fnucp_c_4_1704, fnucv_c_55_1247 VVVKEDNQEEVER AK; AK LA; LA 69; 47 NH2-VVVKEDNQEEVER-COOH NA file4.mgf NA 1184.3033 786.896850585938 2+ 2+ 1571.77911469539 0 0.0213133792340522 100 Doubtful +125 NCBIABWG_c_1_641, NCBIACDZ_c_1_435, NCBIACIK_c_2_832, adef_c_11_2804, agem_c_9_572, ahae_c_1_592, aot183_c_33_1378, aot848_c_4_1394, bant_c_1_3906, bcla_c_1_2407, bsub_c_1_4087, cmor_c_2_484, cot876_c_13_2070, cper_c_37_2377, dinv_c_1_425, dmic_c_1_13, ecas_c_2_366, edur2534_c_12_1712, edur_c_1_138, einf1695_c_5_850, eita_c_1_40, elim_c_1_2280, esab_c_36_2145, esac_c_1_3, eyur_c_11_898, falo_c_1_303, gadi_c_8_1361, gber_c_12_559, gele_c_2_284, ghae2070_c_1_218, gmor_c_1_78, gsan_c_6_511, jign_c_8_1290, laci_c_1_1252, lbre_c_1_1319, lbuc2428_c_1_1026, lbuch_c_19_1852, lcas_c_1_1767, lcol_c_3_582, lcri_c_1_1302, lfer_c_1_846, lfus_c_15_3117, lgas_c_1_796, line_c_4_865, ljoh_c_1_1340, lkis_c_7_438, llac1719_c_1_2450, llac_c_1_2338, lmon1053_c_1_1819, lori_c_4_326, lot082_c_59_2511, lot107_c_9_1331, lpar_c_51_2446, lpen_c_12_1604, lpla2113_c_1_1663, lreu_c_1_731, lrha_c_1_1590, lsal_c_1_551, lvag_c_5_384, mmic_c_1_372, mot131_c_3_572, mtim_c_1_96, oot078_c_1_323, oot108_c_1_1582, osin_c_17_596, pala_c_7_1373, pana_c_5_568, pot786_c_1_12, psto_c_30_1644, saga_c_1_1917, sang2334_c_12_1225, sang_c_12_660, sart2584_c_8_1349, saur1312_c_1_1324, saur_c_15_967, saus_c_11_1774, scap_c_3_569, scon_c_3_1668, scri_c_5_980, sdow_c_7_1808, sepi1324_c_1_788, sflu_c_3_498, sgor_c_1_1974, sinf_c_8_1499, sinfantis_c_3_1448, sinfelix_c_7_1558, sint2361_c_1_113, sint_c_3_913, slon_c_4_1515, smit1998_c_8_1605, smit_c_1_1252, smut_c_1_1864, snox_c_7_1012, soli_c_1_1992, sot056_c_1_1343, sot058_c_7_947, sot070_c_3_1364, sot071_c_9_1702, sot133_c_1_4, sot138_c_47_2120, sot149_c_35_2297, sot892_c_8_1213, spar_c_5_1194, spara_c_1_1360, sper_c_1_39, spne_c_1_2204, spyo1356_c_1_1820, ssal1367_c_1_75, ssal_c_11_1677, ssan_c_1_2145, ssat_c_2_1140, sspu_c_2_369, swar_c_1_29, vaty_c_20_1486, vot158_c_8_1681, vot780_c_19_1269, vpardsm_c_1_869 QLLEAGVHFGHQTR MK; MK; MK; MK; MK; MR; MR; MR; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MR; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; LK; MK RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW; RW 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 9; 8; 8; 8; 8; 8; 8; 8; 9; 8; 8; 8; 8; 8; 9; 3; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 3; 8; 8; 3; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 3; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 8; 3; 8; 8; 8; 8; 8 pyro-QLLEAGVHFGHQTR-COOH Pyrolidone from Q(1) NA file4.mgf NA 2894.0462 788.406921386719 2+ 2+ 1574.79537389622 0 2.48345950063646 Pyrolidone from Q (0: 100.0) Pyrolidone from Q (1: 100.0) 100 Doubtful +408 scri_c_9_1413, sgor_c_1_150, soli_c_1_89, sot056_c_1_1425, ssan_c_1_95 DIPFPVDIVDVYR LK; LK; LK; LK; LK RS; RS; RS; RS; RS 73; 73; 73; 73; 73 NH2-DIPFPVDIVDVYR-COOH NA file4.mgf NA 4635.2477 774.410339355469 2+ 2+ 1546.80314461526 0 1.92479854688335 100 Doubtful +577 scri_c_6_1134, sinfantis_c_1_544, smit1067_c_1_672, smit1998_c_1_68, soli_c_1_1648, sot058_c_3_508, spne_c_1_585, ssan_c_1_1934 DYEANEAEYDKKK AR; AR; AR; AR; AR; AR; AR; AR LF; LF; LF; LF; LF; LF; LF; LF 249; 249; 249; 249; 249; 249; 249; 249 NH2-DYEANEAEYDKKK-COOH NA file3.mgf NA 1057.8665 801.868408203125 2+ 2+ 1601.72093111293 0 0.830785193974707 100 Doubtful +189 sang2334_c_19_1605, sang_c_5_305, saus_c_13_1905, scon_c_1_261, scri_c_8_1304, sint2361_c_1_472, sint_c_4_1134, smit1067_c_1_1521, smit1998_c_3_956, smit2_c_1_125, smit_c_1_1653, soli_c_1_1219, sora2005_c_1_592, sora_c_11_1597, sot056_c_1_738, sot058_c_2_356, sot066_c_1_176, sot070_c_2_907, sot071_c_3_910, spara_c_1_969, sper_c_9_1418, spne_c_1_1546, ssan_c_1_1693 VANFETASPLYMR HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE; LE 102; 102; 102; 102; 102; 102; 102; 102; 102; 102; 52; 138; 102; 102; 102; 102; 102; 102; 102; 102; 102; 102; 102 NH2-VANFETASPLYMR-COOH NA file4.mgf NA 3083.7986 749.870422363281 2+ 2+ 1497.72859977601 0 -1.53891889284144 100 Doubtful +930 aseg_c_1_362 TVGTQIDDETLEER PR VK 44 NH2-TVGTQIDDETLEER-COOH NA file2.mgf NA 2213.534 803.385986328125 2+ 2+ 1604.7529595172 0 2.775887233883 100 Doubtful +719 aseg_c_5_1296 AHAVQSFLTAK RR GV 103 NH2-AHAVQSFLTAK-COOH NA file2.mgf NA 2064.7588 586.825988769531 2+ 2+ 1171.63495709135 0 2.10242842220568 100 Doubtful +588 aact1954_c_4_634, aact_c_1_1934, aot458_c_32_1600, aseg_c_5_1297, hhae2076_c_14_1658, ypes1054_c_1_619 VLQLVSTDGR GK; GK; GK; GK; GK; GS FK; FK; FK; FK; FK; FK 394; 394; 394; 394; 395; 400 NH2-VLQLVSTDGR-COOH NA file3.mgf NA 2260.0972 544.31005859375 2+ 2+ 1086.6033226099 0 2.05916513586104 100 Doubtful +261 haeg_c_7_962, hduc_c_1_1686, hhae2076_c_7_1005, hot851_c_5_690, hpar1239_c_1_686 DVQGIDPVSLIAFDK VR; VR; VR; VR; VR VI; VV; VI; VI; VI 170; 170; 170; 170; 170 NH2-DVQGIDPVSLIAFDK-COOH NA file3.mgf NA 4209.8774 808.932495117188 2+ 2+ 1615.84573770323 0 2.90482283834541 100 Doubtful +177 fper2555_c_1_321 FAFESFTTVER HK V 186 NH2-FAFESFTTVER-COOH NA file3.mgf NA 3402.1876 667.325622558594 2+ 2+ 1332.635016661 0 1.25540261767359 100 Doubtful +245 NCBIABZV_c_1_25, bot272_c_19_2035, bot274_c_10_1528, bpyo_c_15_1595, cgin_c_1_282, cgra1653_c_1_494, coch_c_1_283, cot324_c_11_581, cot326_c_26_1461, cot329_c_6_981, cot329_c_9_1502, cot332_c_9_568, cot335_c_1_60, cot336_c_3_1106, cot338_c_15_1826, cot412_c_24_1761, cot863_c_2_284, fgon2550_c_29_1483, fnec_c_9_2366, fnucp_c_3_1245, fot370_c_20_698, fper2555_c_2_390, fper_c_5_619, lcat_c_1_142, pasa2160_c_1_1112, pasa_c_4_431, pbar_c_6_1235, pbiv2380_c_1_267, pbue_c_61_1709, pbus_c_13_1257, pcat_c_12_1297, pden2563_c_12_1546, pden2676_c_11_1667, pdenta_c_5_740, pdenti_c_1_425, peno_c_5_678, pfus_c_4_658, pfus_c_9_1326, pgin33277_c_1_1781, pgin_c_1_1733, phis2679_c_24_2413, phis_c_6_1070, pint2554_c_5_1067, pint_c_1_551, ploe_c_3_890, pmac2508_c_9_1642, pmac2680_c_33_2466, pmar_c_7_784, pmel1142_c_1_1337, pmel_c_9_684, pmic2509_c_25_1748, pmuls_c_1_72, pmulx_c_1_473, pnig_c_16_1564, pora_c_1_276, pori2510_c_10_1630, pori2683_c_11_1562, pori_c_19_2207, pot278_c_2_110, pot279_c_1_353, pot299_c_2_679, pot306_c_4_628, pot317_c_22_1736, pot472_c_107_2706, pot473_c_3_435, poul2684_c_3_432, poul_c_23_1995, ppal_c_1_25, pple_c_29_2172, pple_c_5_829, psac2685_c_15_1832, psac_c_6_357, psal_c_121_2357, psco_c_10_907, psha_c_30_2342, puen2674_c_1_36, puen_c_6_574, pver2511_c_15_2093, pver2511_c_2_723, pver_c_7_1079, tot286_c_2_239 FVIGGPHGDTGLTGR GI; GK; GK; GK; GV; GV; GI; GI; GI; GK; GI; GI; GI; GI; GV; GI; GV; GR; GR; GR; GR; GR; GR; GR; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI; KI 241; 255; 240; 255; 232; 241; 241; 241; 241; 252; 241; 241; 241; 241; 241; 241; 241; 227; 227; 227; 227; 227; 227; 229; 255; 255; 234; 255; 249; 243; 255; 255; 44; 245; 255; 243; 255; 243; 253; 253; 255; 255; 255; 255; 244; 243; 234; 244; 255; 255; 255; 255; 254; 255; 270; 243; 234; 243; 255; 255; 243; 255; 264; 244; 255; 243; 243; 255; 243; 243; 244; 244; 243; 255; 100; 255; 255; 255; 243; 255; 253 NH2-FVIGGPHGDTGLTGR-COOH NA file2.mgf NA 2342.83 495.261779785156 3+ 3+ 1482.75792575834 0 3.75842830853782 100 Doubtful +489 fnucp_c_10_2306, fnucv_c_111_1834 DGGAVAYLGNYFPLEDSR KR; KR VV; VV 29; 29 NH2-DGGAVAYLGNYFPLEDSR-COOH NA file4.mgf NA 4096.192 648.64404296875 3+ 3+ 1942.90610611366 0 2.15495757947695 100 Doubtful +630 fgon2550_c_17_1135, fnec_c_10_2443, fnuc420_c_3_743, fnuc_c_1_125, fnucp_c_1_218, fot370_c_28_874, fper2555_c_17_1857, fper_c_17_1307 IIVNMGVGEATQNSK EK; EK; EK; EK; EK; EK; EK; EK LM; LM; LI; LI; LM; LI; LI; LM 38; 38; 38; 38; 38; 38; 38; 38 NH2-IIVNMGVGEATQNSK-COOH Oxidation of M(5) NA file4.mgf NA 1798.1159 788.905822753906 2+ 2+ 1575.79265658455 0 2.81149028289434 Oxidation of M (5: Very Confident) Oxidation of M (5: 100.0) Oxidation of M (5: 100.0) 100 Doubtful +352 vpar1_c_285_506, vpardsm_c_1_230 FVIPSDVNVSR DR; DR EG; EG 56; 445 NH2-FVIPSDVNVSR-COOH NA file1.mgf NA 2829.1965 616.836364746094 2+ 2+ 1231.65608645875 0 1.69421217207148 100 Doubtful +876 fnucp_c_8_2168, fnucv_c_20_656 ENNFEATDEELSQR AK; AK ME; ME 366; 366 NH2-ENNFEATDEELSQR-COOH NA file1.mgf NA 2194.1725 841.370849609375 2+ 2+ 1680.72272201808 0 2.62920843984891 100 Doubtful +109 NCBIACIK_c_2_691, vaty_c_5_617, vot158_c_7_1580, vpardsm_c_1_1009 SILQYLEVSDGR LR; LR; LR; LR ME; ME; ME; ME 180; 180; 180; 180 NH2-SILQYLEVSDGR-COOH NA file4.mgf NA 3762.2649 690.363647460938 2+ 2+ 1378.70924423042 0 2.53327844337476 100 Doubtful +36 saga_c_1_2168, sang2334_c_24_1785, sang_c_56_1716, saus_c_8_1486, scon_c_6_2401, scri_c_14_1732, sgor_c_1_8, sinf_c_8_1588, sinfantis_c_2_937, sint2361_c_1_1903, smit1067_c_1_2098, smit1998_c_8_1592, smit2_c_4_573, smit_c_1_5, smut_c_1_1975, soli_c_1_2175, sora2005_c_1_1892, sora_c_10_1513, sot056_c_1_1237, sot058_c_7_934, sot066_c_5_1867, sot070_c_3_1351, sot071_c_9_1715, spar_c_5_1090, spara_c_1_1459, sper_c_1_25, spne_c_1_2217, ssal1367_c_1_2051, ssal_c_17_1882, ssan_c_1_2311, sves_c_7_1881 LLVAGAVGVTSDTFER GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE; AE 223; 223; 223; 225; 223; 223; 223; 223; 223; 223; 223; 223; 223; 223; 223; 223; 223; 205; 205; 223; 223; 223; 223; 220; 223; 223; 223; 223; 223; 223; 223 NH2-LLVAGAVGVTSDTFER-COOH NA file3.mgf NA 3235.8508 817.943481445313 2+ 2+ 1633.86753577697 0 2.97954239164019 100 Doubtful +462 paer_c_1_5085, pmel1142_c_1_86, pmel_c_10_726, pot473_c_37_1786 LIDGTVFDSSYQR GT; GT; GT; GR GQ; NQ; NQ; GE 131; 126; 126; 119 NH2-LIDGTVFDSSYQR-COOH NA file2.mgf NA 2803.8028 750.871520996094 2+ 2+ 1499.72562257055 0 1.90877760366336 100 Doubtful +529 fgon2550_c_1_23, fgon_c_1_103, fnec_c_2_965, fnuc2539_c_1_503, fnuc420_c_5_1002, fnuc_c_1_793, fnucp_c_4_1701, fnucv_c_55_1244, fot370_c_1_17, fper_c_13_1124, pind_c_27_733, pot386_c_6_425 KPYAAVYEIIR NR; NR; NR; NR; NR; NR; NR; NR; NR; NR; NR; NR QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG 31; 31; 31; 31; 31; 31; 31; 27; 31; 31; 31; 31 NH2-KPYAAVYEIIR-COOH NA file4.mgf NA 2855.8436 661.877746582031 2+ 2+ 1321.73942215989 0 1.14679205976364 100 Doubtful +766 fnucp_c_1_83, fnucv_c_19_633 VDDEVEGTVTK FK; FK VL; VL 561; 561 NH2-VDDEVEGTVTK-COOH NA file1.mgf NA 1354.1092 596.29052734375 2+ 2+ 1190.56666231766 0 -0.134635513619003 100 Doubtful +597 vpardsm_c_1_49 GDPDIEGNEITR EK IK 1216 NH2-GDPDIEGNEITR-COOH NA file2.mgf NA 1774.3185 658.311706542969 2+ 2+ 1314.6051730847 0 2.80040435436331 100 Doubtful +860 fnuc420_c_9_1512, fnuc_c_1_1069, fnucp_c_3_1436, fnucv_c_120_1899, fper2555_c_4_949, fper_c_25_1600 LLNKHPDVPIYTAK AK; AR; AK; AK; AK; AK ID; ID; ID; ID; ID; ID 168; 168; 168; 168; 168; 168 NH2-LLNKHPDVPIYTAK-COOH NA file1.mgf NA 2090.0297 804.961120605469 2+ 2+ 1607.90352736287 0 2.58455041570009 100 Doubtful +466 fnuc2539_c_1_1319, fnuc420_c_2_394, fnuc_c_1_1704, fnucp_c_1_593, fnucv_c_83_1572 LSQLEGVQAHSTHILGR SK; SK; SK; SK; SK ND; ND; ND; ND; ND 462; 462; 462; 459; 459 NH2-LSQLEGVQAHSTHILGR-COOH NA file4.mgf NA 2312.2582 616.003845214844 3+ 3+ 1844.98569384704 0 2.17120168890802 100 Doubtful +78 pbue_c_97_2109, pbus_c_2_224, psal_c_35_1279 EQVEEEATASGIVDR VR; VR; VR LK; IK; IK 126; 126; 126 NH2-EQVEEEATASGIVDR-COOH NA file2.mgf NA 2113.5817 816.890869140625 2+ 2+ 1631.76385855407 0 2.03625750721395 100 Doubtful +903 fot370_c_93_1719, fper_c_70_2400 IVANGFGSSNPIASNATPEGR NR; NR QA; QA 178; 178 NH2-IVANGFGSSNPIASNATPEGR-COOH NA file2.mgf NA 2565.9552 1030.01611328125 2+ 2+ 2058.01303079369 0 2.25377330958951 100 Doubtful +364 NCBIABWM_c_10_3254, NCBIJUET_c_8_1281, aact1954_c_15_1548, aact_c_1_651, aaph_c_1_1528, adef_c_1_311, aot458_c_5_484, aseg_c_7_1480, bfor_c_1_861, bot274_c_3_687, bpyo_c_49_2920, cot329_c_2_393, cper_c_21_1721, ecan2604_c_4_3637, ecol1511_c_1_4378, ecol_c_1_3257, ehor_c_27_3499, esak_c_1_4028, haeg_c_7_994, hduc_c_1_1128, hhae2076_c_6_920, hinf_c_1_1495, hot851_c_5_726, hpar1239_c_1_371, hpar_c_4_995, kpne1249_c_1_339, kpne_c_1_4529, lot082_c_4_347, lot107_c_10_1410, pasa2160_c_1_931, pasa_c_38_1634, pbar_c_6_1292, pbiv2380_c_1_295, pbue_c_61_1702, pbus_c_28_1912, pden2676_c_1_14, pdenta_c_5_693, pdenti_c_1_469, pend_c_1_110, peno_c_9_1029, pfus_c_46_2862, pgin33277_c_1_422, pgin_c_1_1534, phis_c_3_578, pint2554_c_6_1257, pint_c_1_226, ploe_c_4_1006, pmac2508_c_9_1592, pmar_c_6_668, pmel1142_c_1_1376, pmel_c_13_872, pmic2509_c_34_1910, pmic2682_c_52_2001, pmir1289_c_1_3008, pmuls_c_12_1641, pmulx_c_3_1449, pnig_c_22_1787, pora_c_1_359, pori2510_c_7_1224, pot299_c_2_789, pot302_c_9_1214, pot306_c_7_1101, pot317_c_106_3217, pot473_c_37_1789, poul2684_c_2_250, poul_c_1_242, ppal_c_32_1509, pple_c_3_493, psac2685_c_1_101, psac_c_45_1617, psal_c_48_1513, psco_c_30_1883, psha_c_63_3066, ptan_c_3_841, puen2674_c_35_1444, puen_c_42_1738, pver2511_c_6_1400, pver_c_2_547, sflu_c_1_31, sinfelix_c_1_1, snox_c_1_27, sot133_c_1_661, sot138_c_25_1636, sot149_c_2_203, sot892_c_2_446, sspu_c_29_2173, tot286_c_31_1669, ypes1054_c_1_3432 AYLVNTGWNGTGK AQ; AK; AE; AE; AE; AK; AE; AE; AR; AK; AK; AK; SR; AQ; AQ; AQ; AQ; AQ; AE; SQ; AE; AE; AE; AE; AE; AQ; AQ; SK; SK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AT; AT; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AQ; AK; AK; AK; AK; AK; AK; AK; AK; AK; SK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; AK; SR; SR; SR; SK; SR; SC; SR; AK; AK; AQ RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI; RI 435; 426; 434; 434; 434; 430; 434; 434; 426; 431; 431; 430; 435; 435; 436; 436; 435; 435; 434; 432; 434; 434; 434; 434; 434; 436; 436; 430; 430; 433; 433; 433; 436; 433; 433; 8; 433; 433; 431; 172; 433; 431; 431; 433; 433; 433; 433; 433; 433; 433; 433; 434; 434; 435; 433; 434; 433; 433; 433; 433; 430; 433; 433; 429; 433; 433; 433; 433; 433; 433; 433; 433; 433; 449; 207; 433; 433; 433; 435; 435; 452; 435; 435; 435; 435; 430; 430; 435 NH2-AYLVNTGWNGTGK-COOH NA file2.mgf NA 2561.504 690.8505859375 2+ 2+ 1379.68336383575 0 2.35587358575703 100 Doubtful +811 fnuc2539_c_1_2044, fnuc420_c_10_1633, fnuc_c_1_444, fnucp_c_8_2220, fnucv_c_45_1115, fot370_c_98_1752, fper2555_c_8_1364, fper_c_23_1550 VIPVYGGQSIDIQR MK; MK; MK; MK; MK; MK; MK; MK KL; KL; KL; KL; KL; KL; KL; KL 107; 107; 107; 107; 107; 108; 108; 107 NH2-VIPVYGGQSIDIQR-COOH NA file2.mgf NA 2854.4093 772.926391601563 2+ 2+ 1543.83584172587 0 1.5451324655657 100 Doubtful +793 fnuc_c_1_889, fnucp_c_4_1593, fot370_c_35_994, fper2555_c_6_1106, fper_c_59_2295 SAPSIIDYLFEDERK YK; YK; YK; YK; YK HY; HY; HY; HY; HY 220; 220; 220; 220; 220 NH2-SAPSIIDYLFEDERK-COOH NA file4.mgf NA 4237.6428 891.951110839844 2+ 2+ 1781.88357976393 0 2.29216122742943 100 Doubtful +268 fot370_c_112_1848, fper2555_c_26_2209, fper_c_22_1513 DLGNVVIGQIVEFDKHPNSDR GK; GK; GK LT; LT; LT 52; 41; 41 NH2-DLGNVVIGQIVEFDKHPNSDR-COOH NA file4.mgf NA 3963.2103 784.737976074219 3+ 3+ 2351.18697240438 0 2.17755444482463 100 Doubtful +120 sang2334_c_12_1225, sang_c_12_660, sinf_c_14_1941, sinfantis_c_3_1448, smit1998_c_8_1605, ssan_c_1_2145 QAADAVKEEAER KK; KK; KK; KK; KK; KK AG; AG; AG; SG; SG; SG 75; 75; 48; 75; 75; 75 pyro-QAADAVKEEAER-COOH Pyrolidone from Q(1) NA file3.mgf NA 1575.0435 650.312622070313 2+ 2+ 1298.61025846514 0 0.332718442274367 Pyrolidone from Q (0: 100.0) Pyrolidone from Q (1: 100.0) 100 Doubtful +240 fnuc420_c_4_826, fnucp_c_7_2130, fnucv_c_98_1718, fper2555_c_30_2307, fper_c_9_867 IVASIEEAIKK PK; PK; PK; KK; PK SG; SG; SG; SG; SG 52; 52; 52; 52; 52 NH2-IVASIEEAIKK-COOH NA file2.mgf NA 2441.5979 400.91162109375 3+ 3+ 1199.71253870571 0 0.411707785844022 100 Doubtful +6 fnuc420_c_2_488, fnuc_c_1_1255, fnucp_c_2_1187, fot370_c_124_1922 KKLEIGVNTLADAVK AR; AR; AR; AR IT; VT; VT; VT 13; 13; 13; 13 NH2-KKLEIGVNTLADAVK-COOH NA file4.mgf NA 2791.998 799.977233886719 2+ 2+ 1597.94030679441 0 -0.244978534361064 100 Doubtful +737 fper2555_c_1_6, fper_c_6_711 DGSVTAGNASGLNDGASFLLLASEEAVKK KK; KK YN; YN 239; 239 NH2-DGSVTAGNASGLNDGASFLLLASEEAVKK-COOH NA file2.mgf NA 4307.4798 941.149230957031 3+ 3+ 2820.41413135639 0 4.15526133051552 100 Doubtful +157 aact1954_c_36_2182, aaph_c_1_1605, aot458_c_17_1181, aseg_c_2_422, haeg_c_5_823, hhae2076_c_6_911, hinf_c_1_1184, hot851_c_5_735, hpar1239_c_1_1020, kpne1249_c_1_4934, kpne_c_1_359, paer_c_1_4896, ppse_c_16_3342 ANDAAGDGTTTATVLAQAIVNEGLK SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK AV; AV; AV; AV; AV; AV; AV; AV; AV; AV; AV; AV; AV 81; 81; 81; 81; 81; 81; 81; 81; 81; 81; 81; 81; 66 NH2-ANDAAGDGTTTATVLAQAIVNEGLK-COOH NA file3.mgf NA 4279.2981 1201.11657714844 2+ 2+ 2400.21324672187 0 2.22903147765402 100 Doubtful +757 fnuc_c_1_919, fnucp_c_4_1550 ALLLADESLKEALR AR; AR EA; EA 89; 89 NH2-ALLLADESLKEALR-COOH NA file2.mgf NA 3395.8481 771.45068359375 2+ 2+ 1540.88245756512 0 2.82370678394833 100 Doubtful +150 aot458_c_3_299, aseg_c_11_1856 VTVAADADEESVK GK; GK AI; AI 814; 814 NH2-VTVAADADEESVK-COOH NA file4.mgf NA 1544.5187 667.329895019531 2+ 2+ 1332.64088988708 0 3.25718400268512 100 Doubtful +684 vpardsm_c_1_1264 VVPLALAER AK ME 47 NH2-VVPLALAER-COOH NA file3.mgf NA 2645.5909 484.301116943359 2+ 2+ 966.58621599378 0 1.51244905092939 100 Doubtful +464 saga_c_1_1621, sang_c_32_1290, scon_c_1_340, scri_c_8_1301, sdow_c_4_1408, sgor_c_1_1453, sinf_c_1_303, sint2361_c_1_546, sint_c_6_1659, smit1998_c_1_38, smit_c_1_828, smut_c_1_1491, soli_c_1_1222, spne_c_1_609, spyo1356_c_1_374, ssal_c_4_1020, ssan_c_1_1577, ssob_c_9_322 TADQAGMIIPVVISVYEDK AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF; SF 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46; 46 NH2-TADQAGMIIPVVISVYEDK-COOH Oxidation of M(7) NA file2.mgf NA 4211.5448 1033.03344726562 2+ 2+ 2064.04490808559 0 3.59791776373405 Oxidation of M (7: Very Confident) Oxidation of M (7: 100.0) Oxidation of M (7: 100.0) 100 Doubtful +244 aaph_c_1_1206, aot458_c_10_822, aseg_c_1_69 EAIEDAGLTEEQVSNER MK; MK; MK TG; TG; TG 81; 81; 81 NH2-EAIEDAGLTEEQVSNER-COOH NA file1.mgf NA 2251.8539 945.441711425781 2+ 2+ 1888.86502914732 0 2.03120846724912 100 Doubtful +933 aact1954_c_19_1763, aact_c_1_382, aaph_c_1_1511, aot458_c_28_1509, aseg_c_4_1165, haeg_c_23_1773, hhae2076_c_35_2416, hinf_c_1_1269, hot851_c_18_1647, hpar1239_c_1_454, hpar_c_7_1363 IDAEVPLSEMFGYATDLR VK; VK; VK; VK; VK; VK; VK; VK; VK; VK; VK SQ; SQ; SQ; SQ; SQ; SQ; SQ; SQ; SQ; SQ; SQ 650; 650; 650; 650; 650; 650; 650; 463; 650; 650; 650 NH2-IDAEVPLSEMFGYATDLR-COOH Oxidation of M(10) NA file1.mgf NA 3701.4261 1021.99255371094 2+ 2+ 2041.96665776489 0 1.90643795606016 Oxidation of M (10: Very Confident) Oxidation of M (10: 100.0) Oxidation of M (10: 100.0) 100 Doubtful +629 NCBIACIK_c_1_427, NCBIACIK_c_1_445, vpardsm_c_1_1517 IDELMDAVDSYIPTPVR AK; AK; AK DT; DT; DT 189; 189; 189 NH2-IDELMDAVDSYIPTPVR-COOH Oxidation of M(5) NA file2.mgf NA 3812.9899 975.481750488281 2+ 2+ 1948.94519404432 0 1.92418045705699 Oxidation of M (5: Very Confident) Oxidation of M (5: 100.0) Oxidation of M (5: 100.0) 100 Doubtful +527 fnuc420_c_18_2182, fnuc_c_1_1018, fnucv_c_5_226 LIELVEKEYLR EK; EK; EK ND; SD; ND 5; 5; 5 NH2-LIELVEKEYLR-COOH NA file4.mgf NA 3082.3715 702.907775878906 2+ 2+ 1403.80241633927 0 -1.00832122066868 100 Doubtful +418 scri_c_9_1377 NEIASENYNEETNK VR YT 68 NH2-NEIASENYNEETNK-COOH NA file2.mgf NA 1383.8851 827.864074707031 2+ 2+ 1653.71182298121 0 1.07113062478757 100 Doubtful +299 fgon2550_c_6_525, fgon_c_3_366, fnec_c_16_2958, fnuc420_c_10_1653, fnuc_c_1_417, fnucp_c_6_2058, fnucv_c_1_29, fot370_c_96_1736, fper2555_c_2_491, fper_c_14_1154, pind_c_3_137 VFTIPSNGHFDTTEGNIK GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK QM; QM; QM; QM; QM; QM; QM; QM; QM; QM; QM 171; 171; 171; 171; 171; 171; 122; 171; 171; 171; 171 NH2-VFTIPSNGHFDTTEGNIK-COOH NA file1.mgf NA 2822.1927 988.991027832031 2+ 2+ 1975.96395534295 0 1.79344086545884 100 Doubtful +859 gadi_c_1_171 SQTNTNSPQKR KK GV 34 NH2-SQTNTNSPQKR-COOH NA file1.mgf NA 95.716 630.81591796875 2+ 2+ 1259.62182620835 0 -3.60104111576112 100 Doubtful +573 hpar1239_c_1_549, hpar_c_7_1453 NVVESSLSIGVLK IK; IK TL; TL 339; 339 NH2-NVVESSLSIGVLK-COOH NA file2.mgf NA 3333.3108 672.892028808594 2+ 2+ 1343.76603083055 0 2.58129226664732 100 Doubtful +174 fnuc_c_1_1804 EGILGGISTGATFK FK AA 259 NH2-EGILGGISTGATFK-COOH NA file2.mgf NA 3282.0426 675.867980957031 2+ 2+ 1349.71908063813 0 1.72248603561011 100 Doubtful +316 cot329_c_84_5660 FGQAVLSGQSLR MK LS 99 NH2-FGQAVLSGQSLR-COOH NA file2.mgf NA 2389.0071 631.848022460938 2+ 2+ 1261.67788453249 0 2.85469442926539 100 Doubtful +453 fnucp_c_1_711 NSEDVKDIPEESATR VK TV 63 NH2-NSEDVKDIPEESATR-COOH NA file2.mgf NA 1597.7123 845.401916503906 2+ 2+ 1688.78532227464 0 2.34078533208531 100 Doubtful +779 fnuc2539_c_1_230, fnuc420_c_11_1764, fnucp_c_1_122 TPANEITDDDFDR GK; GK; GK FT; FT; FV 88; 88; 88 NH2-TPANEITDDDFDR-COOH NA file1.mgf NA 2209.9102 754.830993652344 2+ 2+ 1507.64268079223 0 3.14878021799919 100 Doubtful +135 aact1954_c_23_1873, aact_c_1_2035, aaph_c_1_101, aot458_c_38_1706, aseg_c_4_1058, ecol1511_c_1_987, ecol_c_1_793, haeg_c_10_1264, hduc_c_1_833, hhae2076_c_25_2180, hinf_c_1_690, hot851_c_7_956, hpar1239_c_1_304, hpar_c_4_1077, kpne_c_1_1689 THNQGVFDVYTPDILR RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK; RK CR; CR; CR; CR; CR; CR; CR; CR; CR; CR; CR; CR; CR; CR; CR 144; 144; 144; 144; 144; 144; 144; 144; 144; 144; 119; 144; 144; 144; 144 NH2-THNQGVFDVYTPDILR-COOH NA file4.mgf NA 3594.7529 937.977111816406 2+ 2+ 1873.93226129185 0 3.94968944842113 100 Doubtful +203 aot458_c_12_937, aseg_c_4_1082, bdim1892_c_42_2035, bdim_c_53_1662, haeg_c_5_813, hduc_c_1_574, hinf_c_1_1172, hot851_c_12_1351, hpar1239_c_1_796, hpar_c_10_1687 EATPEELAER GR; GR; GR; GR; GR; GR; GR; GR; GR; GR MG; MG; LA; LA; MG; MG; MG; MG; MG; MG 483; 485; 504; 504; 493; 478; 493; 491; 493; 493 NH2-EATPEELAER-COOH NA file3.mgf NA 1715.7186 572.778015136719 2+ 2+ 1143.54078192299 0 0.607056509850591 100 Doubtful +144 fnucp_c_6_2018 ENPNDEDIISR EK VI 416 NH2-ENPNDEDIISR-COOH NA file2.mgf NA 1723.5139 651.303588867188 2+ 2+ 1300.58952302056 0 2.38121486711582 100 Doubtful +540 pot786_c_24_1450 LLDSAQAGDNIGALLR RK GI 267 NH2-LLDSAQAGDNIGALLR-COOH NA file3.mgf NA 3629.3064 814.441040039063 2+ 2+ 1625.87368378657 1 -5.8428334660384 100 Doubtful +440 sang2334_c_4_496, sang_c_61_1763, saus_c_1_468, scon_c_4_1846, scri_c_4_833, sgor_c_1_1152, sinfantis_c_1_755, sint2361_c_1_964, sint_c_7_1737, smit1998_c_1_423, smit2_c_5_634, soli_c_1_678, sora2005_c_1_985, sora_c_2_571, sot058_c_1_242, sot066_c_4_1679, sot070_c_1_630, sot071_c_2_615, spar_c_11_1956, spara_c_1_492, spne_c_1_1164, ssan_c_1_1121 NSIPYETLSPFK NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK; NK TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS; TS 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347; 347 NH2-NSIPYETLSPFK-COOH NA file4.mgf NA 3347.367 698.361511230469 2+ 2+ 1394.70818160126 0 0.206144029979415 100 Doubtful +165 fnuc2539_c_1_1602, fnuc420_c_9_1485, fnucp_c_3_1461, fper2555_c_11_1505, fper_c_33_1828, tmal_c_2_1958 NLMTAFAGESQAR EK; EK; EK; EK; EK; EQ NK; TK; NK; NK; NK; TK 11; 11; 11; 11; 11; 12 NH2-NLMTAFAGESQAR-COOH Oxidation of M(3) NA file4.mgf NA 2186.1461 706.336181640625 2+ 2+ 1410.65616311174 0 1.16604376854955 Oxidation of M (3: Very Confident) Oxidation of M (3: 100.0) Oxidation of M (3: 100.0) 100 Doubtful +357 aact1954_c_35_2166, aact_c_1_850, aaph_c_1_2083, aot458_c_3_344, aseg_c_2_466, haeg_c_7_985, hduc_c_1_1662, hhae2076_c_7_1032, hpar1239_c_1_709 GNTGENLLVLLEGR LK; LK; LK; LK; LK; LK; LK; LK; LK LD; LD; LD; LD; LD; LD; LD; LD; LD 84; 84; 84; 84; 84; 84; 86; 84; 84 NH2-GNTGENLLVLLEGR-COOH NA file4.mgf NA 4248.9751 742.909851074219 2+ 2+ 1483.79945621715 0 3.83156816971107 100 Doubtful +510 pot473_c_32_1700 AQEAAAALKPGEVLLLENLR AK FY 95 NH2-AQEAAAALKPGEVLLLENLR-COOH NA file3.mgf NA 3949.825 702.737548828125 3+ 3+ 2105.18445322324 0 3.01861385736491 100 Doubtful +270 fnuc420_c_16_2108 VANTNADWFNIRGEK VK ED 2302 NH2-VANTNADWFNIRGEK-COOH NA file1.mgf NA 2797.4694 867.932373046875 2+ 2+ 1733.84853166789 0 0.957156270178894 100 Doubtful +420 fnucp_c_2_1031 SIGTVQDIIVAAR IR GE 165 NH2-SIGTVQDIIVAAR-COOH NA file4.mgf NA 3314.9967 671.888244628906 2+ 2+ 1341.76161415645 0 0.239748066242236 100 Doubtful +819 sang2334_c_18_1564, sang_c_23_1033, saus_c_1_564, scon_c_1_621, scri_c_3_722, sdow_c_1_78, sgor_c_1_1248, sinf_c_3_947, sinfantis_c_1_469, sint2361_c_1_1046, smit1067_c_1_1444, smit1998_c_1_91, smit2_c_7_852, smit_c_1_388, smut_c_1_1123, soli_c_1_537, sora2005_c_1_1337, sora_c_6_1240, sot056_c_1_463, sot058_c_10_1154, sot066_c_4_1589, sot070_c_1_310, sot071_c_1_114, spar_c_4_889, spara_c_1_420, sper_c_3_749, spne_c_1_670, spyo1356_c_1_755, spyo_c_1_719, ssal1367_c_1_957, ssal_c_3_808, ssan_c_1_1202, ssob_c_103_1621, sves_c_2_1226 DHGAGNQIEGR PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK; PK VK; VK; VP; VK; VA; VA; VA; VR; VA; VK; VA; VA; VA; VA; VT; VA; VA; VA; VA; VA; VP; VA; VA; VP; VP; VP; VA; VL; VL; VV; VV; VA; VA; VV 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101; 101 NH2-DHGAGNQIEGR-COOH NA file1.mgf NA 875.716 577.272033691406 2+ 2+ 1152.52719754752 0 2.00677166216744 100 Doubtful +41 NCBIACEA_c_4_540 GIGPIGLTAGEIADAVR AR EL 265 NH2-GIGPIGLTAGEIADAVR-COOH NA file4.mgf NA 4028.3006 805.456237792969 2+ 2+ 1608.88352019428 0 8.94063893527913 100 Doubtful +465 NCBIABWK_c_5_1401, bext1730_c_1_273, cper_c_29_2074, elim_c_1_3700, esab_c_8_796, jign_c_9_1376, lot082_c_52_2374, lot107_c_6_946, mhom2524_c_5_843, mot131_c_1_73, msal_c_2_807, sart2584_c_1_432, sflu_c_2_436, sinfelix_c_1_194, slon_c_2_649, smoo1683_c_20_1841, smoo2585_c_86_2033, snox_c_1_225, sot133_c_2_999, sot137_c_1_321, sot138_c_4_356, sot892_c_12_1408, sspu_c_4_803 TVVTGIEMFR RQ; RK; RS; KK; KS; KK; KS; KS; KK; RQ; IK; RS; RS; RS; RK; RK; RK; RS; RS; RS; RS; RS; KS KM; KM; KL; KL; KL; KL; KL; KL; KN; KM; KN; KL; KL; KL; KL; KT; KT; KL; KL; KL; KL; KL; KM 257; 257; 255; 256; 259; 259; 259; 259; 257; 257; 257; 255; 255; 255; 259; 257; 257; 255; 255; 255; 255; 255; 255 NH2-TVVTGIEMFR-COOH Oxidation of M(8) NA file2.mgf NA 2714.3645 584.805603027344 2+ 2+ 1167.59579470131 0 0.733936524457628 Oxidation of M (8: Very Confident) Oxidation of M (8: 100.0) Oxidation of M (8: 100.0) 100 Doubtful +385 saga_c_1_555, sang2334_c_19_1587, sang_c_5_288, saus_c_4_1077, scri_c_15_1768, sdow_c_1_356, sgor_c_1_673, sinfantis_c_2_1328, sint2361_c_1_457, smit1067_c_1_599, smit1998_c_3_1033, smit2_c_18_1509, smit_c_1_1524, smut_c_1_507, soli_c_1_1513, sora2005_c_1_514, sot056_c_1_657, sot058_c_2_287, sot066_c_3_1052, sot070_c_2_978, sot071_c_3_795, spar_c_3_791, spara_c_1_62, sper_c_14_1627, spne_c_1_1658, spyo1356_c_1_1250, spyo_c_1_1170, ssal1367_c_1_1234, ssal_c_6_1278, ssan_c_1_638, ssob_c_127_1818, sves_c_1_659 TPLLEALSEADNVLR KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 186; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178; 178 NH2-TPLLEALSEADNVLR-COOH NA file1.mgf NA 4592.5182 820.954040527344 2+ 2+ 1639.87810046067 0 9.39626616976252 100 Doubtful +786 aaph_c_1_35, aot458_c_14_1059, aseg_c_2_710, hpar1239_c_1_79 ALDHLNNALQAK LR; LR; LR; LR AK; AK; AK; AK 216; 198; 195; 212 NH2-ALDHLNNALQAK-COOH NA file1.mgf NA 1936.2476 654.357849121094 2+ 2+ 1306.69934825306 0 1.37314618708726 100 Doubtful +763 saga_c_1_809, sang_c_47_1598, saus_c_1_38, scri_c_1_357, sdow_c_1_265, sgor_c_1_758, sinf_c_1_199, sinfantis_c_5_1556, sint2361_c_1_683, smit1067_c_1_907, smit1998_c_1_320, smit2_c_2_366, smit_c_1_512, smut_c_1_658, soli_c_1_1399, sora_c_2_489, sot066_c_1_63, sot070_c_1_554, sot071_c_4_982, spara_c_1_854, sper_c_6_1127, spne_c_1_1500, spyo1356_c_1_495, spyo_c_1_529, ssal1367_c_1_1523, ssal_c_2_644, ssan_c_1_1478, ssob_c_102_1612, sves_c_3_1443 TTLTAAITTVLAR GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL; RL 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 26; 43; 43; 26; 26; 26; 26; 26 NH2-TTLTAAITTVLAR-COOH NA file4.mgf NA 4109.6743 666.399475097656 2+ 2+ 1330.78201524786 0 1.78722986275236 100 Doubtful +142 hhae2076_c_1_167, hot851_c_1_110, hpar1239_c_1_1714, hpar_c_1_337 YAEDNYDDASKPEAK CR; CR; CR; CR RA; RA; RA; RA 285; 285; 285; 285 NH2-YAEDNYDDASKPEAK-COOH NA file3.mgf NA 1175.1516 858.372802734375 2+ 2+ 1714.73222407262 0 -0.682417180184919 100 Doubtful +650 fnec_c_6_1851, fnucp_c_4_1757, fnucv_c_129_1972, fot370_c_13_524, fper2555_c_1_20, fper_c_6_699 NVLVIGAETLSR YK; YK; YR; YK; YK; YK IM; II; II; II; II; II 134; 134; 134; 134; 134; 134 NH2-NVLVIGAETLSR-COOH NA file4.mgf NA 3188.9512 636.370544433594 2+ 2+ 1270.72450037174 0 1.5993552002808 100 Doubtful +348 aseg_c_3_783, hhae2076_c_9_1256 TILVSHLQQSGR AK; AK FS; FS 75; 75 NH2-TILVSHLQQSGR-COOH NA file1.mgf NA 1898.9028 669.879821777344 2+ 2+ 1337.74154741821 0 2.64466260150176 100 Doubtful +481 NCBIACIK_c_8_1942, vot780_c_3_450, vpardsm_c_1_621 IFTGNANPALAK LK; LK; LK EI; EI; EI 11; 11; 11 NH2-IFTGNANPALAK-COOH NA file4.mgf NA 2032.5216 608.839782714844 2+ 2+ 1215.66117183919 0 3.15408839576284 100 Doubtful +70 aact1954_c_19_1762, hduc_c_1_547 EALEAFEAALENVRPTVEVK GK; GK SR; SR 57; 57 NH2-EALEAFEAALENVRPTVEVK-COOH NA file4.mgf NA 4296.0422 739.059997558594 3+ 3+ 2214.15321266461 0 2.23284614034141 100 Doubtful +101 gadi_c_12_1561 AAAADEAVADEALR AK KA 280 NH2-AAAADEAVADEALR-COOH NA file3.mgf NA 2138.0687 686.839782714844 2+ 2+ 1371.66302231399 0 1.44879854572509 100 Doubtful +795 scri_c_10_1477, sgor_c_1_352, soli_c_1_305, sot056_c_1_1590, ssan_c_1_1994 EVSLLELTVAGTK QK; QK; QK; QK; QK DA; DA; EA; DA; DA 169; 169; 169; 169; 169 NH2-EVSLLELTVAGTK-COOH NA file3.mgf NA 3763.7774 680.391784667969 2+ 2+ 1358.76569647738 0 2.43972157497935 100 Doubtful +755 sang2334_c_5_616, sang_c_10_533, scon_c_2_1134, sgor_c_1_424, sint2361_c_1_1486, sint_c_2_695 GVLTFTISQEQIKPELDR NR; NR; NR; NR; NR; NR VF; VF; VF; VF; VF; VF 13; 13; 13; 13; 13; 13 NH2-GVLTFTISQEQIKPELDR-COOH NA file2.mgf NA 3463.3476 692.045227050781 3+ 3+ 2073.11061957664 0 1.55682517663162 100 Doubtful +140 NCBIACIK_c_2_807, vaty_c_38_1853, vot158_c_8_1707, vpardsm_c_1_895 AKFEELTADLVQATIEPTR TR; TR; TR; TR KA; KA; KA; KA 274; 274; 274; 274 NH2-AKFEELTADLVQATIEPTR-COOH NA file3.mgf NA 4073.9694 711.381530761719 3+ 3+ 2131.1160988799 0 3.12257456846102 100 Doubtful +456 vot158_c_2_758, vot158_c_2_775, vpardsm_c_1_1517 VLDSAVAGDNVGALLR RK; RK; RK GV; GV; GV 266; 175; 266 NH2-VLDSAVAGDNVGALLR-COOH NA file3.mgf NA 3352.4316 785.4345703125 2+ 2+ 1568.852220066 0 1.50720953334644 100 Doubtful +887 vot158_c_1_170, vpardsm_c_1_283 EVPDTEEPYR LR; LR YI; YI 385; 385 NH2-EVPDTEEPYR-COOH NA file4.mgf NA 1576.046 617.78369140625 2+ 2+ 1233.55134660669 0 1.20048002795768 100 Doubtful +279 sang2334_c_2_178, sang_c_15_775, scon_c_5_2190, sgor_c_1_1010, sot056_c_1_241 NELGWKPEFTNFEAGLK LR; LR; LR; LR; LR ET; ET; ET; ET; ET 300; 300; 292; 300; 300 NH2-NELGWKPEFTNFEAGLK-COOH NA file2.mgf NA 3665.1721 660.66845703125 3+ 3+ 1978.9788771311 0 2.3534614280446 100 Doubtful +138 saga_c_1_1676, sang_c_5_315, saus_c_13_1914, scon_c_1_272, scri_c_8_1350, sdow_c_1_454, sgor_c_1_1628, sinf_c_1_343, sinfantis_c_1_490, smit1067_c_1_1415, smit1998_c_1_117, smit2_c_19_1555, smut_c_1_1535, soli_c_1_1166, sora2005_c_1_1310, sot056_c_1_718, sot066_c_1_167, sot070_c_1_336, sot071_c_1_88, spar_c_1_266, spara_c_1_960, sper_c_9_1403, spne_c_1_715, spyo1356_c_1_323, ssal_c_9_1511, ssan_c_1_1677, ssob_c_18_515, sves_c_10_2036 MIPVVIEQTSR GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE; GE 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1; 1 ace-MIPVVIEQTSR-COOH Acetylation of protein N-term(1) NA file3.mgf NA 4069.0245 657.858947753906 2+ 2+ 1313.70132239901 0 1.53541901813612 Acetylation of protein N-term (0: 100.0) Acetylation of protein N-term (1: 100.0) 100 Doubtful +810 aact1954_c_35_2173, aaph_c_1_2076, aot458_c_3_351, aseg_c_2_459, haeg_c_7_978, hduc_c_1_1670, hhae2076_c_7_1024, hinf_c_1_1481, hpar1239_c_1_701 HIYAQVIAPNGSEVLAAASTVEK PR; PR; PR; PR; PR; PR; PR; PR; PR AI; AI; AI; AI; AI; VI; AI; AI; AI 34; 34; 34; 34; 34; 34; 34; 34; 34 NH2-HIYAQVIAPNGSEVLAAASTVEK-COOH NA file1.mgf NA 3400.7193 790.090881347656 3+ 3+ 2367.24342465134 0 3.1177907954559 100 Doubtful +394 NCBIJUET_c_8_1281, bfor_c_1_861, haeg_c_7_994, hhae2076_c_6_920, hinf_c_1_1495, hot851_c_5_726, hpar1239_c_1_371, hpar_c_4_995 DGDVAIFFGLSGTGK GK; GK; GE; GK; GK; GK; GK; GK TT; TT; TT; TT; TT; TT; TT; TT 231; 231; 238; 238; 238; 238; 238; 238 NH2-DGDVAIFFGLSGTGK-COOH NA file3.mgf NA 3302.2051 742.873779296875 2+ 2+ 1482.73545897826 1 -3.91187465093513 100 Doubtful +188 fnucp_c_10_2306, fnucv_c_111_1834 RDGGAVAYLGNYFPLEDSR SK; SK VV; VV 28; 28 NH2-RDGGAVAYLGNYFPLEDSR-COOH NA file3.mgf NA 3768.2008 700.677551269531 3+ 3+ 2099.00721713726 0 1.71608993822644 100 Doubtful +2 fnuc2539_c_1_1602, fnuc420_c_9_1485, fnucp_c_3_1461, fper2555_c_11_1505, fper_c_33_1828, tmal_c_2_1958 NLMTAFAGESQAR EK; EK; EK; EK; EK; EQ NK; TK; NK; NK; NK; TK 11; 11; 11; 11; 11; 12 NH2-NLMTAFAGESQAR-COOH NA file2.mgf NA 3016.8566 698.337524414063 2+ 2+ 1394.66124849218 0 -0.538849228944504 100 Doubtful +526 jign_c_12_1676, oot108_c_1_1093, osin_c_80_1695 GNPDHIESSNATR PK; PK; PK YG; YG; YG 241; 242; 242 NH2-GNPDHIESSNATR-COOH NA file4.mgf NA 912.7879 699.325012207031 2+ 2+ 1396.63311916804 0 1.6818477193753 100 Doubtful +341 fnuc_c_1_1363, fnucp_c_2_1051, fnucv_c_61_1341, fot370_c_26_830, fper2555_c_4_870, fper_c_63_2335 KFGGADTLATSNTIAAAIR DR; DR; DR; DR; DR; DR KI; KI; KI; KI; KI; KI 88; 88; 88; 88; 88; 88 NH2-KFGGADTLATSNTIAAAIR-COOH NA file4.mgf NA 3043.8626 626.674743652344 3+ 3+ 1877.00067520484 0 0.918261218329007 100 Doubtful +762 fnuc2539_c_1_48, fnuc420_c_7_1315, fnuc_c_1_652, fnucp_c_5_1819, fnucv_c_142_2049, fnucv_c_278_2420 AILANNADWLR DK; DK; DK; DK; DK; DK NL; NL; NL; NL; NL; NL 117; 117; 117; 117; 117; 24 NH2-AILANNADWLR-COOH NA file1.mgf NA 3156.6812 628.841674804688 2+ 2+ 1255.66731984879 0 1.17424524720211 100 Doubtful +428 fnuc2539_c_1_336, fnuc420_c_14_1994, fnuc_c_1_365, fnucp_c_1_275, fnucv_c_73_1464 GFVYELDFDYIR GR; GR; GR; GR; GR SL; SL; SL; SL; SL 60; 60; 60; 60; 60 NH2-GFVYELDFDYIR-COOH NA file4.mgf NA 4202.93 768.874206542969 2+ 2+ 1535.72964532183 0 2.74091782530716 100 Doubtful +614 haeg_c_4_737, hhae2076_c_3_512, hinf_c_1_91, hpar1239_c_1_1803, hpar_c_5_1180 EVDIIITTAAIPGKPAPR AK; AK; AK; AK; AK LI; LI; LI; LI; LI 248; 248; 248; 248; 248 NH2-EVDIIITTAAIPGKPAPR-COOH NA file3.mgf NA 3158.114 621.361206054688 3+ 3+ 1861.06729821268 0 -2.95557168950282 100 Doubtful +24 sgor_c_1_1974, sot056_c_1_1343 KQAAEAVKDEAER TK; TK AG; AG 74; 74 NH2-KQAAEAVKDEAER-COOH NA file1.mgf NA 968.2836 722.874450683594 2+ 2+ 1443.73177058015 0 1.783060673411 100 Doubtful +320 atet_c_7_656, lbuc_c_1_78, lbuc_c_1_82, lbuc_c_1_83, lhof2581_c_11_2365, lhof2581_c_11_2366, lhof2581_c_11_2370, lhof_c_7_1955, lot225_c_134_2193, lot225_c_134_2194, lot225_c_171_2331, lot879_c_5_337, sint2361_c_1_709, sint2361_c_1_727, sint2361_c_1_728 EHVGGGLVTVLVR GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK GD; GD; GD; GD; GD; GD; GD; GD; GD; GD; GD; GD; GD; GD; GD 80; 37; 37; 37; 37; 37; 37; 37; 37; 37; 37; 32; 36; 36; 37 NH2-EHVGGGLVTVLVR-COOH NA file3.mgf NA 2981.5427 668.391296386719 2+ 2+ 1334.76703389006 0 0.752516165301463 100 Doubtful +326 fnuc_c_1_918, fnucp_c_4_1551, fnucv_c_265_2395, fper2555_c_32_2333, fper_c_54_2235 VYYNHSGFPGGIR DK; DK; DK; DK; DK AR; AR; AR; AR; AR 75; 75; 41; 75; 75 NH2-VYYNHSGFPGGIR-COOH NA file4.mgf NA 2284.7584 733.863952636719 2+ 2+ 1465.71024728993 0 2.11555319040062 100 Doubtful +284 fgon2550_c_1_23, fgon_c_1_103, fnec_c_2_965, fnuc2539_c_1_503, fnuc420_c_5_1002, fnuc_c_1_793, fnucp_c_4_1701, fnucv_c_55_1244, fot370_c_1_17, fper_c_13_1124, pind_c_27_733, pot386_c_6_425 KPYAAVYEIIR NR; NR; NR; NR; NR; NR; NR; NR; NR; NR; NR; NR QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG; QG 31; 31; 31; 31; 31; 31; 31; 27; 31; 31; 31; 31 NH2-KPYAAVYEIIR-COOH NA file2.mgf NA 2888.6606 661.878234863281 2+ 2+ 1321.73942215989 0 1.88451411263303 100 Doubtful +306 NCBIACDX_c_26_2230, NCBIACEA_c_3_422, NCBIACEN_c_47_2032, NCBIACEO_c_11_1863, NCBIACEQ_c_16_1207, axyl_c_1_1161, bcep_c_1_2779, bper_c_1_2556, cpne_c_1_518, hpyl2409_c_1_112, hpyl_c_1_112, kora_c_1_14, lmir_c_2_915, nbac_c_15_1428, nelo_c_8_1077, ngon_c_16_1057, nlac2159_c_1_1810, nmen1276_c_1_585, nmen_c_20_1156, not014_c_17_1990, not020_c_14_563, npol_c_1_25, nsic_c_12_1563, nwea_c_13_1487, paer_c_1_5281, pasa2160_c_1_936, pflu1300_c_1_842, pflu_c_1_757, poti_c_1_72, ppse_c_17_3503, pstu_c_1_3341, rpic_c_1_2490, smal1329_c_1_1917, smal_c_1_1608, smue_c_1_66 VTEAVITVPAYFNDSQR EK; EK; EK; EK; EK; EE; EP; EE; ET; ES; ES; EK; EE; EK; EK; EK; EK; EK; EK; EK; EK; EK; EK; EK; EP; TE; EA; EA; EP; EP; EP; EE; EK; EK; EK QA; QA; QA; QA; QA; QA; QA; QA; AS; KA; KA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA; QA 135; 135; 135; 135; 135; 135; 135; 135; 138; 150; 134; 135; 135; 135; 135; 135; 135; 135; 120; 135; 135; 135; 135; 135; 135; 133; 135; 135; 135; 135; 135; 135; 136; 136; 135 NH2-VTEAVITVPAYFNDSQR-COOH NA file4.mgf NA 3437.3301 637.32568359375 3+ 3+ 1908.95814168652 0 -1.5273725409332 100 Doubtful +536 saus_c_6_1337, scri_c_10_1478, sgor_c_1_350, smit1067_c_1_543, smit2_c_22_1667, smit_c_1_1238, soli_c_1_304, sora2005_c_1_445, sora_c_8_1433, sot056_c_1_1589, sot058_c_3_554, sot066_c_2_804, sot070_c_2_1028, sot071_c_3_744, spara_c_1_1783, sper_c_1_252, spne_c_1_1761, ssan_c_1_1996 TPLESAMIIGADISTDKPLR SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; DT; AT 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557; 557 NH2-TPLESAMIIGADISTDKPLR-COOH NA file1.mgf NA 4031.505 710.050964355469 3+ 3+ 2127.12455538862 0 3.05531929519281 100 Doubtful +28 NCBIACDZ_c_6_1452, bcla_c_1_161, bsub_c_1_2431, cmor_c_5_1037, ecas_c_5_928, edur2534_c_7_1096, edur_c_7_1950, efae1080_c_1_183, esac_c_5_1151, gadi_c_1_169, gber_c_10_455, gele_c_3_415, ghae2070_c_15_1405, gmor_c_7_1056, gsan_c_22_1289, lcas_c_1_2636, lfus_c_8_2154, llac_c_1_2459, lmon1053_c_1_213, lrha_c_1_2433, saga_c_1_1855, sang_c_8_445, saur1312_c_1_582, saus_c_6_1276, scon_c_3_1576, scri_c_2_400, sdow_c_8_1945, sepi1324_c_1_181, sgor_c_1_208, sinf_c_4_1005, sinfantis_c_2_1210, sint2361_c_1_172, smit1067_c_1_252, smit1998_c_2_813, smit2_c_9_1002, smit_c_1_172, smut_c_1_332, soli_c_1_1887, sora2005_c_1_1605, sora_c_14_1725, sot056_c_1_1472, sot058_c_9_1106, sot066_c_1_468, sot070_c_1_60, sot071_c_1_348, spara_c_1_1259, sper_c_1_231, spne_c_1_310, spyo1356_c_1_232, spyo_c_1_234, ssal_c_1_372, ssan_c_1_2054, ssob_c_118_1753, sves_c_1_22, swar_c_18_2081 GFEFENAIVGGVVPR GA; GA; GA; GA; GK; GA; GA; GK; GK; GA; GA; GA; GA; GA; GA; GK; GK; GA; GK; GK; GK; GK; GA; GK; GK; GK; GK; GG; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GK; GG EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EY; EF; EY; EY; EF; EF; EY; EF; EF; EF; EF; EY; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EF; EY 520; 520; 520; 521; 520; 520; 520; 520; 520; 521; 520; 521; 520; 520; 520; 523; 520; 535; 519; 523; 520; 520; 521; 520; 520; 520; 520; 521; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 520; 521 NH2-GFEFENAIVGGVVPR-COOH NA file2.mgf NA 3898.3699 795.918884277344 2+ 2+ 1589.82019166173 0 1.89966913581884 100 Doubtful +583 NCBIACIK_c_1_388, vaty_c_31_1738, vot158_c_3_812, vpardsm_c_1_1572 GEWSPGIVTGKPIEVGGSLGR LK; LK; LK; LK NE; NE; NE; NE 165; 165; 165; 165 NH2-GEWSPGIVTGKPIEVGGSLGR-COOH NA file3.mgf NA 3210.9356 699.378051757813 3+ 3+ 2095.10620290254 0 2.91830163305346 100 Doubtful +681 saga_c_1_636, saus_c_1_62, sdow_c_3_1182, smit1998_c_1_480, smut_c_1_1148, sot056_c_1_1905, ssan_c_1_862, ssob_c_50_1036 VQLVGDDFFVTNTDYLAR GR; KK; DR; KK; DR; KK; KK; NR GI; GI; GI; GI; GI; GI; GI; GI 314; 313; 312; 313; 311; 313; 313; 312 NH2-VQLVGDDFFVTNTDYLAR-COOH NA file4.mgf NA 4123.9856 1037.02185058594 2+ 2+ 2072.02147021907 0 3.70197002148196 100 Doubtful +424 NCBIACDZ_c_5_1361, cmor_c_1_80, gber_c_76_1496, ghae2070_c_26_1735, gmor_c_3_528, sang2334_c_34_2154, sang_c_1_37, scon_c_2_1225, scri_c_5_988, sgor_c_1_1792, sinfantis_c_10_1888, sint2361_c_1_1596, sint_c_2_599, smit1067_c_1_612, smit1998_c_7_1558, smit2_c_12_1207, smit_c_1_1454, smut_c_1_169, soli_c_1_1984, sora2005_c_1_1432, sora_c_5_1045, sot056_c_1_968, sot058_c_5_796, sot071_c_1_198, sper_c_2_417, spne_c_1_1643, ssan_c_1_257 VVATNSIIADITK LK; LK; LK; LK; LK; LN; LN; LN; LN; LN; LK; LN; LN; LK; LK; LK; LK; LT; LN; LK; LK; LN; LK; LK; LK; LK; LK NI; NI; NI; NI; NI; NI; NI; IS; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI; NI 42; 31; 41; 42; 40; 35; 35; 36; 36; 36; 36; 36; 35; 35; 36; 36; 35; 32; 36; 35; 35; 36; 35; 35; 35; 35; 35 NH2-VVATNSIIADITK-COOH NA file1.mgf NA 3408.9991 672.891418457031 2+ 2+ 1343.76603083055 0 1.67423272021282 100 Doubtful +94 sang_c_6_349, saus_c_9_1578, scri_c_2_506, sgor_c_1_1720, sinfantis_c_1_264, sint2361_c_1_376, smit1067_c_1_1843, smit1998_c_2_819, sora2005_c_1_1599, sora_c_14_1731, sot056_c_1_908, sot066_c_2_893, spara_c_1_1918, sper_c_3_603, spne_c_1_456 EMSIIALAQGR AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR; AR AK; AK; AK; AQ; AK; AK; AK; AK; AK; AK; AQ; AK; AK; AK; AK 34; 34; 34; 34; 34; 34; 34; 34; 34; 34; 34; 34; 34; 34; 34 NH2-EMSIIALAQGR-COOH Oxidation of M(2) NA file4.mgf NA 2811.6571 602.822998046875 2+ 2+ 1203.62815745875 0 2.72526955738593 Oxidation of M (2: Very Confident) Oxidation of M (2: 100.0) Oxidation of M (2: 100.0) 100 Doubtful +858 NCBIACIK_c_2_831, vaty_c_20_1487, vot158_c_8_1682, vpardsm_c_1_870 RQDDFVAEVMASVGK EK; EK; EK; EK 212; 212; 212; 212 NH2-RQDDFVAEVMASVGK-COOH Oxidation of M(10) NA file3.mgf NA 3040.5974 556.606872558594 3+ 3+ 1666.79847024098 0 0.190460234281444 Oxidation of M (10: Very Confident) Oxidation of M (10: 100.0) Oxidation of M (10: 100.0) 100 Doubtful +344 fnuc_c_1_918, fnucp_c_4_1551, fnucv_c_265_2395, fper2555_c_32_2333, fper_c_54_2235 VYYNHSGFPGGIR DK; DK; DK; DK; DK AR; AR; AR; AR; AR 75; 75; 41; 75; 75 NH2-VYYNHSGFPGGIR-COOH NA file2.mgf NA 2253.6662 733.864013671875 2+ 2+ 1465.71024728993 0 2.19872294540282 100 Doubtful +953 vpardsm_c_1_54 EASALSTQDGDKK GR NV 414 NH2-EASALSTQDGDKK-COOH NA file3.mgf NA 890.2118 675.330993652344 2+ 2+ 1348.64703789668 0 0.293540873724583 100 Doubtful +592 fnuc2539_c_1_102, fnuc420_c_20_2223 IIDFSELDYR AR; AR IK; IK 88; 88 NH2-IIDFSELDYR-COOH NA file1.mgf NA 3380.8067 635.819274902344 2+ 2+ 1269.62411762413 0 -0.0949586302368065 100 Doubtful +201 aact1954_c_36_2182, aaph_c_1_1605, aot458_c_17_1181, aseg_c_2_422, haeg_c_5_823, hhae2076_c_6_911, hinf_c_1_1184, hot851_c_5_735, hpar1239_c_1_1020 QQIEESTSDYDKEK IR; IR; IR; IR; IR; IR; IR; IR; IR LQ; LQ; LQ; LQ; LQ; LQ; LQ; LQ; LQ 351; 351; 351; 351; 351; 351; 351; 351; 351 NH2-QQIEESTSDYDKEK-COOH NA file2.mgf NA 1682.8539 850.385498046875 2+ 2+ 1698.75843882046 0 -1.17338430483677 100 Doubtful +248 fnuc_c_1_114, fnucp_c_1_234, fnucv_c_7_273 KALESHDGDIEK CK; CK; CK SI; SI; SI 28; 25; 25 NH2-KALESHDGDIEK-COOH NA file1.mgf NA 912.2253 671.336791992188 2+ 2+ 1340.65720865756 0 1.3572886864026 100 Doubtful +582 fnuc_c_1_198 ALSYVIPTEEEFPYTIR ER VV 419 NH2-ALSYVIPTEEEFPYTIR-COOH NA file4.mgf NA 3962.5189 1014.52264404297 2+ 2+ 2027.02515861718 0 2.74836175040873 100 Doubtful +637 NCBIACIK_c_19_1963, NCBIACIK_c_1_427, NCBIACIK_c_1_445, cper_c_29_2074, dinv_c_1_1633, dinv_c_1_911, eyur_c_1_64, lcat_c_5_859, lgas_c_1_1165, line_c_2_650, ljoh_c_1_885, mot131_c_1_73, paci_c_3_464, sart2584_c_1_432, sflu_c_2_436, sinfelix_c_1_194, sot133_c_2_999, sot137_c_1_321, sot138_c_4_356, sot892_c_12_1408, ssat_c_3_1588, vaty_c_17_1364, vaty_c_27_1678, vot158_c_2_758, vot158_c_2_775, vpardsm_c_1_1517 DTDKPFLMPVEDVFTITGR VR; VR; VR; TR; QR; QR; VR; VR; ER; VR; ER; KR; QR; VR; TR; TR; VR; VR; TR; TR; QR; VR; VR; VR; VR; VR GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT; GT 134; 206; 206; 206; 206; 206; 208; 206; 207; 207; 207; 208; 208; 206; 206; 206; 206; 206; 206; 206; 223; 206; 206; 206; 115; 206 NH2-DTDKPFLMPVEDVFTITGR-COOH Oxidation of M(8) NA file1.mgf NA 4317.6731 733.034545898438 3+ 3+ 2196.07727084303 0 2.06332304298544 Oxidation of M (8: Very Confident) Oxidation of M (8: 100.0) Oxidation of M (8: 100.0) 100 Doubtful +12 fnuc2539_c_1_1602, fnuc420_c_9_1485, fnucp_c_3_1461, fper2555_c_11_1505, fper_c_33_1828, tmal_c_2_1958 NLMTAFAGESQAR EK; EK; EK; EK; EK; EQ NK; TK; NK; NK; NK; TK 11; 11; 11; 11; 11; 12 NH2-NLMTAFAGESQAR-COOH Oxidation of M(3) NA file1.mgf NA 2215.6608 706.337158203125 2+ 2+ 1410.65616311174 0 2.54862003194629 Oxidation of M (3: Very Confident) Oxidation of M (3: 100.0) Oxidation of M (3: 100.0) 100 Doubtful +454 fnuc_c_1_1144, fnucp_c_3_1306, fnucv_c_16_524 MEAEEVDEFR QK; QK; QK YE; YE; YE 40; 41; 41 NH2-MEAEEVDEFR-COOH NA file1.mgf NA 2230.7278 627.770690917969 2+ 2+ 1253.52341760669 0 2.71699916966162 100 Doubtful +537 fnuc_c_1_1269, fnucp_c_2_1172 FKEFNSVLTK ER; ER QM; QM 33; 33 NH2-FKEFNSVLTK-COOH NA file2.mgf NA 2370.2608 606.835266113281 2+ 2+ 1211.65502382959 0 0.787251625815019 100 Doubtful +765 fnuc420_c_2_488, fnucp_c_2_1187, fnucv_c_238_2346 AQIEETTSDYDK IK; IK; IK EK; EK; EK 349; 349; 289 NH2-AQIEETTSDYDK-COOH NA file1.mgf NA 1439.5054 700.314880371094 2+ 2+ 1398.61506906206 0 0.0990600951183549 100 Doubtful +567 lmon1053_c_1_1419, sgor_c_1_424, sinfantis_c_1_295, smit1998_c_2_872, smit2_c_11_1136, sora2005_c_1_1547, sora_c_4_936, sot056_c_1_1647, spar_c_2_568, ssan_c_1_1940 DIDEEVETLDELKEK AK; AK; AK; AK; AK; AK; AK; AK; AK; AK IS; YR; YR; YR; YR; YR; YR; YR; YR; YR 257; 257; 257; 257; 257; 257; 257; 257; 257; 257 NH2-DIDEEVETLDELKEK-COOH NA file1.mgf NA 3212.3134 902.939331054688 2+ 2+ 1803.86256953583 0 0.852571806721249 100 Doubtful +208 NCBIACIK_c_4_1477, vaty_c_2_257, vot158_c_2_485, vot780_c_1_55, vpar1_c_67_133, vpardsm_c_1_1255 TNPLIGSAGVSAVPMAAR GK; GK; GK; GK; GK; GK VS; VS; VS; VS; VS; VS 312; 312; 312; 312; 308; 312 NH2-TNPLIGSAGVSAVPMAAR-COOH Oxidation of M(15) NA file1.mgf NA 2734.3069 864.461669921875 2+ 2+ 1726.90360401586 0 2.99776727123364 Oxidation of M (15: Very Confident) Oxidation of M (15: 100.0) Oxidation of M (15: 100.0) 100 Doubtful +337 NCBIABWM_c_21_4255, aact1954_c_35_2174, aaph_c_1_2075, aseg_c_2_458, ecol_c_1_3159, ehor_c_46_4258, elen_c_1_2185, esak_c_1_18, hduc_c_1_1671, hpar1239_c_1_700, hpar_c_4_936, kora_c_2_1112, kpne1249_c_1_409, kpne_c_1_4461, pmir1289_c_1_3265, ypes1054_c_1_3349 KLQLVGVGYR TK; TR; TR; TR; TK; TK; SK; TK; TK; TK; TK; EK; TK; TK; TK; TK AA; AQ; AQ; AQ; AA; AA; AA; AA; AQ; AQ; AQ; AQ; AA; AA; AS; AA 86; 86; 86; 86; 86; 86; 86; 86; 86; 86; 86; 98; 86; 86; 86; 86 NH2-KLQLVGVGYR-COOH NA file2.mgf NA 2387.6002 566.846740722656 2+ 2+ 1131.67642798051 0 2.20565499752494 100 Doubtful +910 vpardsm_c_1_44, vpardsm_c_1_48, vpardsm_c_1_50 SWYIVSHR RR; RR; RR YK; YK; YK 99; 99; 99 NH2-SWYIVSHR-COOH NA file1.mgf NA 2270.9731 524.273254394531 2+ 2+ 1046.52976374682 0 2.09062085676229 100 Doubtful +108 fgon2550_c_17_1135, fnec_c_10_2443, fnuc420_c_3_743, fnuc_c_1_125, fnucp_c_1_218, fot370_c_28_874, fper2555_c_17_1857, fper_c_17_1307 IIVNMGVGEATQNSK EK; EK; EK; EK; EK; EK; EK; EK LM; LM; LI; LI; LM; LI; LI; LM 38; 38; 38; 38; 38; 38; 38; 38 NH2-IIVNMGVGEATQNSK-COOH Oxidation of M(5) NA file2.mgf NA 1736.8934 788.906433105469 2+ 2+ 1575.79265658455 0 3.58516093070578 Oxidation of M (5: Very Confident) Oxidation of M (5: 100.0) Oxidation of M (5: 100.0) 100 Doubtful +522 fnuc420_c_24_2276, fnuc_c_1_488, fnucp_c_8_2165, fot370_c_43_1131, fper2555_c_8_1354, fper_c_23_1540 TVEATPDVVEEDGIK LK; LK; LK; LK; LK; LK II; II; II; II; II; II 149; 149; 149; 134; 135; 134 NH2-TVEATPDVVEEDGIK-COOH NA file3.mgf NA 2379.6365 801.400390625 2+ 2+ 1600.78319701632 0 1.89125549717607 100 Doubtful +282 fnucp_c_8_2238, fnucv_c_1_44 SLTMVEDDDTEQK QK; QK IF; IF 587; 599 NH2-SLTMVEDDDTEQK-COOH NA file3.mgf NA 1856.5056 755.834167480469 2+ 2+ 1509.65046859461 0 2.19190935587389 100 Doubtful +831 sang_c_32_1276, scon_c_1_323, sgor_c_1_1466, sinfantis_c_1_881, sint2361_c_1_534, sint_c_6_1672, smut_c_1_1498, spyo1356_c_1_361, spyo_c_1_386, ssan_c_1_1596 TNYAIILAAGK M; M; M; M; M; M; M; M; M; M GT; GT; GT; GT; GT; GT; GT; GT; GT; GT 2; 2; 2; 2; 2; 2; 2; 2; 2; 2 NH2-TNYAIILAAGK-COOH NA file3.mgf NA 2954.2782 567.830932617188 2+ 2+ 1133.64445914589 0 2.51233409949045 100 Doubtful +866 vpardsm_c_1_54 VSDNQNNTTQTTAK VK GV 3006 NH2-VSDNQNNTTQTTAK-COOH NA file2.mgf NA 825.5121 761.359741210938 2+ 2+ 1520.70667803112 0 -1.14830136555834 100 Doubtful +312 fnucp_c_1_738 RYSNEDVKEEDLNK CR IL 15 NH2-RYSNEDVKEEDLNK-COOH NA file1.mgf NA 1192.9988 869.915466308594 2+ 2+ 1737.81695675609 0 -0.331682995350616 100 Doubtful +186 fper2555_c_7_1237, fper_c_16_1269 YDLVVVGGGPAGLAAAVEAK MK; MK KN; KN 5; 5 NH2-YDLVVVGGGPAGLAAAVEAK-COOH NA file1.mgf NA 3928.6299 929.0126953125 2+ 2+ 1856.00436360295 0 3.48440393559675 100 Doubtful +559 eita_c_1_113, esac_c_2_424, saga_c_1_636, sgor_c_1_1423, soli_c_1_590, sot056_c_1_1905, ssan_c_1_862 AVDNVNNVIAEAIIGYDVR TK; TK; QK; QK; QK; QK; QK DQ; DQ; DQ; DQ; DQ; DQ; DQ 67; 67; 67; 67; 67; 67; 67 NH2-AVDNVNNVIAEAIIGYDVR-COOH NA file4.mgf NA 4453.2529 1023.04174804688 2+ 2+ 2044.05891835695 0 4.89953235613173 100 Doubtful +8 aact1954_c_20_1784, aact_c_1_1424, aaph_c_1_728, aot458_c_23_1392, aseg_c_3_802, hpar1239_c_1_1642, hpar_c_1_259 LSQPDGSEDAR SR; SR; SR; SR; SR; SR; SR LN; LN; LN; LN; LN; LN; LN 690; 690; 691; 691; 691; 699; 699 NH2-LSQPDGSEDAR-COOH NA file3.mgf NA 980.0047 587.768981933594 2+ 2+ 1173.52619448801 0 -2.36789277819698 100 Doubtful +554 hpar1239_c_1_1008 LSAELQGFYPLDR YK DH 603 NH2-LSAELQGFYPLDR-COOH NA file4.mgf NA 3556.186 754.892456054688 2+ 2+ 1507.76709345971 0 2.16303864164589 100 Doubtful +639 aaph_c_1_1528, aot458_c_5_484, aseg_c_7_1480, haeg_c_7_994, hhae2076_c_6_920, hinf_c_1_1495, hot851_c_5_726, hpar1239_c_1_371, hpar_c_4_995 GTLTTTGAVAVDTGIFTGR EK; EK; EK; EK; EK; EK; EK; EK; EK SP; SP; SP; SP; SP; SP; SP; SP; SP 46; 46; 46; 46; 46; 46; 46; 46; 46 NH2-GTLTTTGAVAVDTGIFTGR-COOH NA file3.mgf NA 3430.2876 919.489196777344 2+ 2+ 1836.95814168652 0 3.09897724984607 100 Doubtful +409 aact1954_c_3_528, aact_c_1_1268, aaph_c_1_426, aot458_c_34_1643, aseg_c_9_1707, hpar1239_c_1_132, hpar_c_3_763 LPQLSVFGSDYDTHDGTGVR GK; GK; GK; GK; GK; GK; GK DY; DY; DY; DY; DY; DY; DY 212; 212; 212; 212; 212; 212; 212 NH2-LPQLSVFGSDYDTHDGTGVR-COOH NA file1.mgf NA 3297.9102 722.015625 3+ 3+ 2163.02326112422 0 0.823840349223283 100 Doubtful +827 ecas_c_2_295, edur2534_c_15_2012, edur_c_2_823, esac_c_10_1720, saga_c_1_809, sang_c_47_1598, saus_c_1_38, scri_c_1_357, sdow_c_1_265, sgor_c_1_758, sinf_c_1_199, sinfantis_c_5_1556, sint2361_c_1_683, smit1067_c_1_907, smit1998_c_1_320, smit2_c_2_366, smit_c_1_512, smut_c_1_658, soli_c_1_1399, sora_c_2_489, sot066_c_1_63, sot070_c_1_554, sot071_c_4_982, spara_c_1_854, sper_c_6_1127, spne_c_1_1500, spyo1356_c_1_495, spyo_c_1_529, ssal1367_c_1_1523, ssal_c_2_644, ssan_c_1_1478, ssob_c_102_1612, sves_c_3_1443 AVVTGVEMFRK QK; QK; QK; QK; QK; QK; QK; QK; QK; QK; QK; SK; QK; QK; SK; QK; QK; QK; QK; QK; QK; QK; KK; QK; QK; QK; KK; KK; QK; QK; QK; QK; QK TM; TL; TL; TM; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL; QL 255; 255; 255; 255; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 258; 275; 275; 258; 258; 258; 258; 258 NH2-AVVTGVEMFRK-COOH NA file1.mgf NA 2419.6397 618.842895507813 2+ 2+ 1235.66962834791 0 1.30060165255557 100 Doubtful +829 gsan_c_16_1098 IVEAIELDKPLIDKDITVGGR KR VH 230 NH2-IVEAIELDKPLIDKDITVGGR-COOH NA file2.mgf NA 3411.733 765.440002441406 3+ 3+ 2293.2893122146 0 3.86084839328096 100 Doubtful +921 fnucp_c_6_2058 EYLLNVPVPR MK SF 3 NH2-EYLLNVPVPR-COOH NA file2.mgf NA 3352.6729 600.345703125 2+ 2+ 1198.6710082469 0 4.86811007372071 100 Doubtful +621 fnucp_c_6_1967, fper2555_c_15_1766, fper_c_52_2206 QLAIDVNIPQTLR VR; VR; VR EL; EL; EL 328; 328; 328 NH2-QLAIDVNIPQTLR-COOH NA file4.mgf NA 3569.2449 740.931091308594 2+ 2+ 1479.84092710631 0 4.5230977944508 100 Doubtful +90 vpardsm_c_1_1047 AQVEETSSDFDREK IR LQ 349 NH2-AQVEETSSDFDREK-COOH NA file1.mgf NA 1385.6433 820.874572753906 2+ 2+ 1639.73255842579 0 1.2390144519019 100 Doubtful +638 fnuc_c_1_1052, fnucp_c_3_1450, fnucv_c_60_1324 IEELESYGIKPFGK KK; KK; KK KY; KY; KY 21; 21; 21 NH2-IEELESYGIKPFGK-COOH NA file1.mgf NA 3018.3151 537.287841796875 3+ 3+ 1608.8399240468 0 1.09931474265704 100 Doubtful +392 aact1954_c_15_1548, aact_c_1_651, aaph_c_1_1528, aot458_c_5_484, aseg_c_7_1480, hhae2076_c_6_920, hot851_c_5_726, hpar1239_c_1_371, hpar_c_4_995, pmir1289_c_1_3008 ADGSVDFDDGSKTENTR VR; VR; VR; VR; VR; VR; VR; VR; VR; VL VS; VS; VS; VS; VS; VS; VS; VS; VS; VS 315; 315; 315; 315; 315; 315; 315; 315; 315; 316 NH2-ADGSVDFDDGSKTENTR-COOH NA file1.mgf NA 1415.1195 605.266784667969 3+ 3+ 1812.77621414292 0 1.27242154410467 100 Doubtful +664 fnuc420_c_5_1089, fnuc_c_1_302, fnucp_c_11_2322, fnucv_c_27_812, fper2555_c_3_770, fper_c_41_2030 IQVILLEDVAGQGR AK; AK; AK; TK; AK; AK KG; KG; KG; KG; KG; KG 4; 4; 4; 5; 4; 4 NH2-IQVILLEDVAGQGR-COOH NA file3.mgf NA 3727.6737 755.935424804688 2+ 2+ 1509.85149179001 0 3.17811604959764 100 Doubtful +604 NCBIABWM_c_3_1152, NCBIACDX_c_1_100, NCBIACEA_c_9_874, NCBIACEN_c_6_596, NCBIACEO_c_8_1522, NCBIACEQ_c_10_844, aact1954_c_10_1234, aact_c_1_1626, aaph_c_1_2211, abau_c_1_3176, abro_c_2_2365, aot458_c_12_937, aseg_c_4_1082, atum_c_1_2160, axyl_c_1_2162, bcep_c_2_4909, bdim1892_c_42_2035, bdim_c_53_1662, belk2487_c_2_3832, bper_c_1_2232, bsch_c_2_756, chom_c_39_1760, cpne_c_1_777, ctes_c_1_3937, cval_c_93_2363, daci_c_1_5169, ecan2604_c_1_1697, ecol1511_c_1_4077, ecol_c_1_2927, ehor_c_2_746, esak_c_1_320, fgon2550_c_41_1690, fgon_c_23_1425, fnec_c_21_3234, fnuc2539_c_1_733, fnuc420_c_1_293, fnuc_c_1_1903, fnucp_c_1_801, fnucv_c_81_1552, fot370_c_29_904, fper2555_c_10_1459, fper_c_48_2144, haeg_c_5_813, hduc_c_1_574, hhae2076_c_19_1931, hinf_c_1_1172, hot851_c_12_1351, hpar1239_c_1_796, hpar_c_10_1687, kden_c_1_256, kkin_c_4_556, kora_c_2_1726, kpne1249_c_1_629, kpne_c_1_4233, lbuc_c_1_1961, lgoo_c_22_1218, lhof2581_c_4_1615, lmir_c_5_1627, lot215_c_2_316, lot225_c_8_389, lot879_c_24_1204, lsha_c_4_1259, lwad_c_21_1707, mcat_c_1_660, mlot_c_1_2008, nbac_c_30_2079, nelo_c_1_164, ngon1109_c_1_720, ngon_c_11_839, nlac2159_c_1_799, nmen1276_c_1_1647, nmen_c_30_1414, not014_c_8_1184, not020_c_43_1195, npol_c_17_1108, nsic_c_7_1134, nwea_c_20_1808, oant1457_c_1_1801, paer_c_1_582, pflu1300_c_1_5789, pflu_c_1_5196, pmir1289_c_1_2365, ppse_c_29_4499, pstu_c_1_731, rcap_c_1_3043, rpic_c_1_2047, smal1329_c_1_3977, smal_c_1_3591, smue_c_8_902, tm7a_c_243_1434, vpara_c_1_1763, ypes1054_c_1_3248, ypes_c_1_1187 IPVHMIETINK IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR; IR LN; MN; MN; MN; MN; MN; LN; LN; LN; IN; IV; LN; LN; IV; MN; MN; IV; IV; IV; MN; IV; LN; VL; MN; LN; MN; LN; LN; LN; LN; LN; IK; IK; IK; IK; IK; IK; IK; IK; IK; IK; IK; LN; LN; LN; LN; LN; LN; LN; MN; MN; MN; LN; LN; IK; IK; IK; MN; IK; IK; IK; IK; IK; IN; IV; MN; MN; MN; MN; MN; MN; MN; MN; MN; MN; MN; MN; IV; LN; LN; LN; LN; LN; LN; LV; MN; LN; LN; MN; IK; MN; LN; LN 453; 483; 482; 484; 484; 476; 455; 455; 462; 466; 554; 458; 460; 523; 588; 521; 479; 479; 549; 571; 506; 456; 392; 647; 397; 586; 453; 452; 452; 453; 453; 275; 191; 202; 255; 255; 257; 257; 257; 305; 339; 341; 468; 453; 457; 468; 466; 468; 468; 486; 489; 489; 452; 452; 232; 233; 232; 623; 233; 232; 232; 232; 232; 464; 513; 484; 331; 476; 476; 476; 476; 476; 482; 483; 286; 483; 484; 510; 443; 454; 454; 457; 456; 456; 513; 659; 455; 456; 487; 108; 574; 451; 40 NH2-IPVHMIETINK-COOH NA file3.mgf NA 2402.3243 647.865234375 2+ 2+ 1293.71149315989 0 3.4132650947819 100 Doubtful +718 ecas2549_c_1_267, ecas_c_5_917, edur2534_c_7_1088, efae1080_c_1_170, esac_c_5_1141, saga_c_1_1292, saur1312_c_1_128, saus_c_1_576, scap_c_12_1821, sepi1324_c_1_1687, sepi_c_22_1474, sgor_c_1_1259, sinf_c_3_919, sinfantis_c_5_1606, smit1067_c_1_858, smit1998_c_1_272, smit2_c_2_304, smit_c_1_1486, soli_c_1_513, sora2005_c_1_1121, sot056_c_1_468, sot058_c_1_21, sot066_c_4_1577, sot070_c_1_503, spar_c_4_902, spara_c_1_407, sper_c_6_1173, spne_c_1_792, spyo1356_c_1_747, spyo_c_1_711, ssal1367_c_1_886, ssal_c_3_714, ssan_c_1_1222, sves_c_2_1133, swar_c_8_1426 IIARPYVGEPGNFT GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR; GR RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT; RT 191; 191; 191; 191; 191; 203; 194; 203; 194; 194; 194; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 203; 194 NH2-IIARPYVGEPGNFT-COOH NA file1.mgf NA 2764.3174 767.406066894531 2+ 2+ 1532.79872794116 0 -0.747378027423135 100 Doubtful +222 sgor_c_1_1259 IGLGNIERPVPLK AK TV 56 NH2-IGLGNIERPVPLK-COOH NA file1.mgf NA 2848.9136 703.430358886719 2+ 2+ 1404.84528421076 0 0.625953652526985 100 Doubtful +354 aact1954_c_22_1863, aact_c_1_2025, aaph_c_1_111, hpar1239_c_1_597, hpar_c_9_1606 EATQEEYIEHR LK; LK; LK; LK; LK VK; VK; VK; VK; VK 309; 129; 309; 309; 309 NH2-EATQEEYIEHR-COOH NA file2.mgf NA 1367.6752 702.823852539063 2+ 2+ 1403.63172218571 0 1.01729632612114 100 Doubtful +216 NCBIACEA_c_25_1646 ITAEEGGSSGPEK HK AE 64 NH2-ITAEEGGSSGPEK-COOH NA file2.mgf NA 953.7822 631.299438476563 2+ 2+ 1260.58337501096 0 0.751631632293137 100 Doubtful +923 fot370_c_97_1746, fper2555_c_3_703, fper_c_2_320 DLGLLTANEPFKR LR; LR; LR LL; LL; LL 552; 552; 552 NH2-DLGLLTANEPFKR-COOH NA file4.mgf NA 3195.3317 491.940399169922 3+ 3+ 1472.79872794116 0 0.433771007261775 100 Doubtful +683 bot272_c_15_1813, bpyo_c_2_301, cot329_c_19_2762, pbar_c_12_1943, pbiv2380_c_1_591, pbue_c_20_868, pbus_c_5_644, pfus_c_11_1555, phis_c_13_1911, pint2554_c_4_928, pmel_c_34_1529, pmulx_c_7_2247, pnig_c_2_331, pori2510_c_17_2191, pot299_c_7_1653, pot302_c_17_1682, pot306_c_11_1442, poul2684_c_22_1641, pple_c_7_1031, psac_c_53_1787, psal_c_1_105, psco_c_8_761, ptan_c_1_377, pver2688_c_13_1760 IGMTSVFSADGK KK; KK; KK; RK; KK; RK; RK; KK; KK; KK; KK; RK; KK; KK; RK; KK; KK; KK; RK; KK; KK; KK; KK; KK NV; NV; NV; NV; NV; NV; NI; NV; NV; NV; NV; NV; NV; NV; NI; NV; NV; NV; NI; NV; NV; NV; NI; NV 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9; 9 NH2-IGMTSVFSADGK-COOH NA file1.mgf NA 2818.1738 606.800964355469 2+ 2+ 1211.58562394043 0 1.44350414310133 100 Doubtful +87 fper2555_c_5_967 FNPNGSSLAIEGIISPDGK FR IF 1188 NH2-FNPNGSSLAIEGIISPDGK-COOH NA file3.mgf NA 3599.3863 958.495544433594 2+ 2+ 1914.96870637022 0 4.08431492849425 100 Doubtful +317 NCBIABWM_c_9_2966, aact1954_c_13_1423, aaph_c_1_1906, aot458_c_17_1189, aseg_c_10_1785, ecan2604_c_5_3961, ecol_c_1_3601, ehor_c_8_1690, esak_c_1_3710, falo_c_1_849, haeg_c_5_763, hhae2076_c_26_2208, hinf_c_1_1119, hot851_c_11_1293, hpar1239_c_1_572, hpar_c_7_1476, kpne1249_c_1_5306, kpne_c_1_4892, lbuc_c_1_678, lhof2581_c_3_1199, lot215_c_6_769, lot879_c_10_653, lsha_c_13_1992, lwad_c_20_1683, pmir1289_c_1_3059, ypes1054_c_1_4288 QIASLGIYPAVDPLDSTSR SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR; SR QL; QL; QL; QL; QL; QL; QL; QL; QL; IL; QL; QL; QL; QL; QL; QL; QL; QL; IL; IL; IL; IL; IL; IL; QL; QL 325; 322; 322; 322; 322; 325; 325; 325; 325; 329; 322; 322; 322; 322; 322; 322; 325; 325; 327; 327; 327; 327; 327; 327; 325; 325 NH2-QIASLGIYPAVDPLDSTSR-COOH NA file1.mgf NA 3803.7238 1002.02740478516 2+ 2+ 2002.03712028321 0 1.56500629190384 100 Doubtful +842 hpar_c_3_810 EQLTEVEDQEIAK SR LV 37 NH2-EQLTEVEDQEIAK-COOH NA file1.mgf NA 2170.1834 766.379638671875 2+ 2+ 1530.74133220434 0 2.21314158255407 100 Doubtful +813 fnuc420_c_3_732, fnuc_c_1_137, fnucp_c_1_207, fnucv_c_123_1931, fot370_c_28_863, fper_c_17_1318 MVGGGVTFGPHPR PH; PH; PH; ; PH; PH SY; SY; SY; SY; SY; SY 83; 83; 83; 1; 83; 83 NH2-MVGGGVTFGPHPR-COOH NA file2.mgf NA 2086.4944 656.335876464844 2+ 2+ 1310.6553752661 0 1.39009047484093 100 Doubtful +139 aact1954_c_15_1548, aact_c_1_651, aaph_c_1_1528, aot458_c_5_484, aseg_c_7_1480, hhae2076_c_6_920, hot851_c_5_726, hpar1239_c_1_371, hpar_c_4_995, pmir1289_c_1_3008 ADGSVDFDDGSKTENTR VR; VR; VR; VR; VR; VR; VR; VR; VR; VL VS; VS; VS; VS; VS; VS; VS; VS; VS; VS 315; 315; 315; 315; 315; 315; 315; 315; 315; 316 NH2-ADGSVDFDDGSKTENTR-COOH NA file4.mgf NA 1412.5964 907.396301269531 2+ 2+ 1812.77621414292 0 1.01139070724747 100 Doubtful +209 fnucp_c_1_83, fnucv_c_19_633 VDDEVEGTVTK FK; FK VL; VL 561; 561 NH2-VDDEVEGTVTK-COOH NA file2.mgf NA 1385.3612 596.292053222656 2+ 2+ 1190.56666231766 0 2.42431625672414 100 Doubtful +517 fnuc2539_c_1_229, fnuc420_c_11_1765, fnuc_c_1_386, fnucp_c_6_2005, fnucv_c_1_2 EIVEEAERDAVSK AK; AK; AK; AK; AK SR; SK; AK; AK; AK 50; 50; 50; 50; 50 NH2-EIVEEAERDAVSK-COOH NA file3.mgf NA 1955.8968 737.873962402344 2+ 2+ 1473.73110187381 0 1.5382035826325 100 Doubtful +806 fnuc420_c_4_937, fnucp_c_4_1631, fnucv_c_95_1697, fot370_c_16_619, fper2555_c_5_1030 NLETIVGLQTDAPLKR DK; DK; DK; DK; DK AI; AI; AI; AI; AI 84; 84; 84; 84; 84 NH2-NLETIVGLQTDAPLKR-COOH NA file3.mgf NA 3173.0192 590.004333496094 3+ 3+ 1766.98904789198 0 1.19953831523369 100 Doubtful +329 fot370_c_3_181, fper2555_c_16_1790, fper_c_24_1587 YTIDIFELGVDK GK; GK; GK KL; KL; KL 102; 102; 102 NH2-YTIDIFELGVDK-COOH NA file2.mgf NA 4197.1977 706.871459960938 2+ 2+ 1411.72349731223 0 3.44453912132075 100 Doubtful +926 NCBIACIK_c_2_609, agem_c_39_1680, cmor_c_3_774, dinv_c_1_598, dmic_c_7_729, ecas2549_c_8_1846, ecas_c_6_1136, edur2534_c_23_2497, edur_c_4_1338, efae1080_c_1_2532, eita_c_18_1332, esac_c_28_2751, eyur_c_4_382, fgon2550_c_11_894, fgon_c_5_579, fnec_c_11_2541, fnuc420_c_2_488, fnuc_c_1_1255, fnucp_c_2_1187, fot370_c_124_1922, fper2555_c_5_1014, fper_c_51_2186, gadi_c_1_52, gele_c_4_669, mmic_c_12_1496, mtim_c_11_1209, pot786_c_90_3255, saga_c_1_2078, sang2334_c_23_1773, sang_c_1_19, saus_c_5_1179, scon_c_2_1256, scri_c_5_1026, sdow_c_5_1582, sgor_c_1_1874, sinf_c_5_1205, sinfantis_c_1_214, sint2361_c_1_1626, sint_c_2_530, smit1067_c_1_480, smit1998_c_9_1635, smit2_c_33_1903, smit_c_1_1003, smit_c_1_1004, smut_c_1_1789, soli_c_1_1960, sora2005_c_1_367, sora_c_13_1710, sot056_c_1_1033, sot058_c_8_1067, sot066_c_2_706, sot070_c_2_1111, sot071_c_10_1808, spar_c_2_419, spara_c_1_1682, sper_c_3_557, spne_c_1_1899, spyo1356_c_1_1802, spyo_c_1_1707, ssal1367_c_1_185, ssal_c_7_1357, ssan_c_1_221, ssob_c_31_757, sspu_c_31_2220, sves_c_5_1706, vaty_c_40_1877, vot158_c_7_1619, vot780_c_10_985, vpardsm_c_1_1047 LRIEDALNATR KK; KK; RK; KR; KR; LK; LK; LK; LK; LK; LK; LK; KK; RK; RK; RK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; RK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; MK; KK; MK; KK; KK; KK; KK AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA; AA 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 263; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 70; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392; 392 NH2-LRIEDALNATR-COOH NA file4.mgf NA 2532.9446 636.359741210938 2+ 2+ 1270.69934825306 0 4.38530229504692 100 Doubtful +225 fnucp_c_3_1414 GPYVLISSQTYPNIEDIEKDPIITR EK NT 164 NH2-GPYVLISSQTYPNIEDIEKDPIITR-COOH NA file4.mgf NA 4009.7696 954.502807617188 3+ 3+ 2860.48583974467 0 0.263210909356316 100 Doubtful +625 vaty_c_5_598, vpardsm_c_1_987 MNIINVLEQEQLR TD; TD 1; 1 NH2-MNIINVLEQEQLR-COOH Oxidation of M(1) NA file2.mgf NA 3727.3337 808.429992675781 2+ 2+ 1614.83994113014 0 3.39627827848994 Oxidation of M (1: Very Confident) Oxidation of M (1: 100.0) Oxidation of M (1: 100.0) 100 Doubtful +128 fnuc2539_c_1_832, fnuc420_c_1_196, fnucp_c_1_703, fnucv_c_31_884, fot370_c_10_424, fper2555_c_4_909, llac1719_c_1_954, llac_c_1_977 SVLPVVLDAGTNR PK; PK; PK; PK; PK; PK; PV; PA ET; ET; EA; ET; ET; ET; KE; KE 179; 179; 179; 179; 13; 179; 177; 177 NH2-SVLPVVLDAGTNR-COOH NA file1.mgf NA 3159.2544 670.881164550781 2+ 2+ 1339.74596409231 0 1.35052090508984 100 Doubtful +613 sang2334_c_13_1287, sang_c_5_322, scon_c_1_282, sint2361_c_1_491, sint_c_4_1117, smit1998_c_1_124, smit2_c_19_1543, sora2005_c_1_1299, sot066_c_1_160, sot070_c_1_347, sot071_c_1_78, ssan_c_1_1670 LPVIENDQLVGLVTEGTIAEASPSK HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR; HR AT; AT; AT; AT; AT; AT; AT; AT; AT; AT; AT; AT 35; 35; 35; 35; 35; 35; 35; 35; 35; 35; 35; 35 NH2-LPVIENDQLVGLVTEGTIAEASPSK-COOH NA file3.mgf NA 4310.7943 860.799438476563 3+ 3+ 2579.3694130101 0 2.7389417357175 100 Doubtful +407 fper2555_c_6_1098, fper_c_56_2262 ALEGLEFLGVDLDKEVNSVR EK; EK KK; KK 343; 343 NH2-ALEGLEFLGVDLDKEVNSVR-COOH NA file2.mgf NA 4566.4018 735.060241699219 3+ 3+ 2202.15321266461 0 2.57713446857005 100 Doubtful +804 fnucp_c_6_1953 VVNAFDTYALEMAAR EK LK 34 NH2-VVNAFDTYALEMAAR-COOH NA file3.mgf NA 3774.8491 835.921020507813 2+ 2+ 1669.81339202913 0 8.43152126629325 100 Doubtful +213 sang2334_c_29_2011, sang_c_8_469, saus_c_5_1217, scon_c_2_1318, scri_c_13_1684, sgor_c_1_1915, sinfantis_c_6_1677, sint2361_c_1_1680, sint_c_2_463, sot056_c_1_1072, sot058_c_9_1077, sot066_c_2_665, spar_c_2_381, spara_c_1_1645, ssan_c_1_174 GEVTAIEEDASTR VK; VK; VK; VK; VK; VK; VK; VK; VK; VK; VK; VK; VK; VK; VK TK; TK; TK; TK; TK; TK; TK; TK; TK; TK; TK; TK; TK; TK; TK 977; 977; 977; 977; 968; 977; 977; 977; 977; 977; 977; 977; 977; 977; 968 NH2-GEVTAIEEDASTR-COOH NA file4.mgf NA 2035.4643 689.3291015625 2+ 2+ 1376.64195251624 0 1.23139819734881 100 Doubtful +620 fper2555_c_7_1237, fper_c_16_1269 YDLVVVGGGPAGLAAAVEAK MK; MK KN; KN 5; 5 NH2-YDLVVVGGGPAGLAAAVEAK-COOH NA file1.mgf NA 3961.0842 929.012634277344 2+ 2+ 1856.00436360295 0 3.41870475946953 100 Doubtful +81 fnuc_c_1_198 ALSYVIPTEEEFPYTIR ER VV 419 NH2-ALSYVIPTEEEFPYTIR-COOH NA file2.mgf NA 3994.7548 1014.52319335938 2+ 2+ 2027.02515861718 0 3.28981631425537 100 Doubtful +646 NCBIABIX_c_1_766, NCBIACDZ_c_4_1178, aomn_c_10_1022, aot181_c_3_612, bani2464_c_1_1526, bant_c_1_4466, bbre2426_c_1_136, bbre_c_13_1405, bdim1892_c_23_1434, bdim_c_30_1168, blon2249_c_1_150, blon_c_2_281, bsub2577_c_2_446, fgon2550_c_17_1107, fgon_c_30_1589, fnec_c_10_2402, fnuc420_c_20_2211, fnuc_c_1_711, fnucp_c_1_20, fnucv_c_21_690, fot370_c_38_1059, fper2555_c_2_625, fper_c_2_241, gber_c_3_139, ghae2070_c_5_719, gvag_c_1_257, pden_c_10_1473, sino_c_10_1488, swig_c_2_670 IINEPTAAALAYGLEK LR; ER; LR; LR; LR; ER; LR; LR; LR; LR; LR; LR; LR; KR; KR; KR; KR; KR; KR; KR; KR; KR; KR; ER; ER; LR; LR; LR; LR GK; TD; GK; GK; SK; QD; GK; GK; ND; ND; GK; GK; GK; KK; KK; KK; KK; KK; KK; KK; KK; KK; KK; TD; TD; GK; GK; GK; GK 144; 142; 144; 144; 144; 142; 144; 144; 168; 168; 144; 144; 144; 144; 144; 144; 144; 144; 144; 144; 144; 144; 144; 142; 142; 144; 144; 144; 144 NH2-IINEPTAAALAYGLEK-COOH NA file1.mgf NA 3443.8712 837.460571289063 2+ 2+ 1672.90358693252 0 1.79275148425641 100 Doubtful +61 aaph_c_1_298, aot458_c_6_608, hhae2076_c_3_426, hot851_c_9_1191, hpar1239_c_1_1408 DAVNNTPFVLLTSNDK VK; VK; VK; VK; VK SH; SH; SH; TH; SH 105; 105; 105; 105; 106 NH2-DAVNNTPFVLLTSNDK-COOH NA file4.mgf NA 3686.4352 874.44873046875 2+ 2+ 1746.87882873666 0 2.33248479208811 100 Doubtful +552 fnuc420_c_6_1175, fnuc_c_1_946, fnucp_c_1_857, fnucv_c_62_1350, fper2555_c_2_413, fper_c_35_1882 NIASLGIYPAVDPLDSTSK SR; SR; SR; SR; SR; SR AL; AL; AL; AL; AL; AL 325; 325; 325; 325; 325; 325 NH2-NIASLGIYPAVDPLDSTSK-COOH NA file3.mgf NA 3837.4534 981.017822265625 2+ 2+ 1960.01532220947 0 2.94052003411273 100 Doubtful +797 fnucp_c_8_2165 KIIDEDENDEGEGYSQK IR NN 88 NH2-KIIDEDENDEGEGYSQK-COOH NA file1.mgf NA 1431.7089 984.935913085938 2+ 2+ 1967.85960941371 0 -1.18595162243177 100 Doubtful +750 aact1954_c_51_2237, aact_c_1_381, aact_c_1_625, hhae2076_c_35_2415, hhae2076_c_48_2527, hhae2076_c_50_2535, hinf_c_1_1270, hot851_c_32_1760, hpar1239_c_1_453, hpar_c_26_2006 ILELANHLDTYIPEPER EK; EK; EK; EK; EK; EK; EK; EK; EK; EK AI; AI; AI; AI; AI; AI; AI; AI; AI; AI 188; 189; 189; 189; 189; 136; 189; 189; 189; 162 NH2-ILELANHLDTYIPEPER-COOH NA file3.mgf NA 3525.6141 675.024719238281 3+ 3+ 2022.04220566365 0 4.99868181030832 100 Doubtful +191 fot370_c_65_1427, fper2555_c_39_2409 IDSEEDEIADIR KK; KK SI; SI 313; 31 NH2-IDSEEDEIADIR-COOH NA file3.mgf NA 2416.1655 702.829406738281 2+ 2+ 1403.64161816307 0 1.87981949071119 100 Doubtful +19 fnec_c_8_2194, fnuc2539_c_1_215, fnuc420_c_19_2187, fnuc_c_1_400, fnucp_c_6_2038, fnucv_c_1_14, fot370_c_18_654, fper2555_c_9_1379, fper_c_7_740 AVSQPVEGTILTVIR YQ; YK; YK; YK; YK; YK; YM; YM; YM KV; KV; KV; KV; RV; KV; KV; KV; KV 127; 127; 127; 127; 127; 127; 127; 127; 127 NH2-AVSQPVEGTILTVIR-COOH NA file2.mgf NA 3691.0492 528.310852050781 3+ 3+ 1581.90900666613 0 1.08527497709561 100 Doubtful +171 scri_c_1_378, sgor_c_1_1334, sinfantis_c_7_1757, smit1067_c_1_989, smit1998_c_1_311, smit2_c_2_348, soli_c_1_1420, sora2005_c_1_1081, sot066_c_3_1332, spar_c_4_1052, sper_c_2_367, spne_c_1_921 YRPNADILAITFDELTER SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK GL; GL; GL; GL; GL; GL; GL; GL; GL; GL; GL; GL 419; 419; 419; 419; 419; 419; 419; 419; 419; 419; 419; 419 NH2-YRPNADILAITFDELTER-COOH NA file3.mgf NA 4639.1163 713.037719726563 3+ 3+ 2136.08513310479 0 2.89685114918266 100 Doubtful +93 scri_c_1_378, sgor_c_1_1334, sinfantis_c_7_1757, smit1067_c_1_989, smit1998_c_1_311, smit2_c_2_348, soli_c_1_1420, sora2005_c_1_1081, sot066_c_3_1332, spar_c_4_1052, sper_c_2_367, spne_c_1_921 YRPNADILAITFDELTER SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK; SK GL; GL; GL; GL; GL; GL; GL; GL; GL; GL; GL; GL 419; 419; 419; 419; 419; 419; 419; 419; 419; 419; 419; 419 NH2-YRPNADILAITFDELTER-COOH NA file3.mgf NA 4671.2378 713.037353515625 3+ 3+ 2136.08513310479 0 2.38325700306405 100 Doubtful +294 aact1954_c_15_1548, aact_c_1_651, aaph_c_1_1528, aot458_c_5_484, aseg_c_7_1480, haeg_c_7_994, hduc_c_1_1128, hhae2076_c_6_920, hinf_c_1_1495, hot851_c_5_726, hpar_c_4_995 GIIDAILDGSIEK TR; TR; TR; TR; TR; TR; TR; TR; TR; TR; TR AQ; AQ; AE; AE; AE; AE; AT; AE; AE; AE; TE 455; 455; 455; 455; 455; 455; 453; 455; 455; 455; 455 NH2-GIIDAILDGSIEK-COOH NA file2.mgf NA 4355.5846 672.376525878906 2+ 2+ 1342.7343963491 0 3.05073678608087 100 Doubtful diff -r 000000000000 -r de3c2c88e710 test-data/rand_0.fasta --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rand_0.fasta Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,10 @@ +>seq1 +PROTEIN0 +>seq4 +ASFWEFOIN +>seq5 +DUNEDIN +FELLOWSHIP +NAZGUL +>seq6 +NOTAPROTEIN diff -r 000000000000 -r de3c2c88e710 test-data/rand_1.fasta --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rand_1.fasta Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,4 @@ +>seq2 +PROTEIN +>seq3 +ANOTHERPROTEIN diff -r 000000000000 -r de3c2c88e710 test-data/test.fasta --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test.fasta Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,14 @@ +>seq1 +PROTEIN0 +>seq2 +PROTEIN +>seq3 +ANOTHERPROTEIN +>seq4 +ASFWEFOIN +>seq5 +DUNEDIN +FELLOWSHIP +NAZGUL +>seq6 +NOTAPROTEIN diff -r 000000000000 -r de3c2c88e710 test-data/test.fastq --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test.fastq Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,16 @@ +@SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +GGGTGATGGCCGCTGCCGATGGCGTCAAATCCCACC1 ++SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +IIIIIIIIIIIIIIIIIIIIIIIIIIIIII9IG9IC1 +@SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +GGGTGATGGCCGCTGCCGATGGCGTCAAATCCCACC2 ++SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +IIIIIIIIIIIIIIIIIIIIIIIIIIIIII9IG9IC2 +@SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +GGGTGATGGCCGCTGCCGATGGCGTCAAATCCCACC3 ++SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +IIIIIIIIIIIIIIIIIIIIIIIIIIIIII9IG9IC3 +@SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +GGGTGATGGCCGCTGCCGATGGCGTCAAATCCCACC4 ++SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +IIIIIIIIIIIIIIIIIIIIIIIIIIIIII9IG9IC4 diff -r 000000000000 -r de3c2c88e710 test-data/test.mgf --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test.mgf Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,14 @@ +BEGIN IONS +1011.11 1.0 +1012.11 1.0 +END IONS +BEGIN IONS +5 1.0 +10 0 +END IONS +BEGIN IONS +15 1.0 +108 1.0 +101111 1.0 +8088 1.0 +END IONS diff -r 000000000000 -r de3c2c88e710 test-data/test.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test.tabular Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,6 @@ +#This is a file +#file data +foo.mgf bar +foo2.mgf bar2 +foo3.mgf bar3 +foo.mgf bar4 diff -r 000000000000 -r de3c2c88e710 test-data/test_0.fasta --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test_0.fasta Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,8 @@ +>seq1 +PROTEIN0 +>seq3 +ANOTHERPROTEIN +>seq5 +DUNEDIN +FELLOWSHIP +NAZGUL diff -r 000000000000 -r de3c2c88e710 test-data/test_0.fastq --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test_0.fastq Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,8 @@ +@SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +GGGTGATGGCCGCTGCCGATGGCGTCAAATCCCACC1 ++SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +IIIIIIIIIIIIIIIIIIIIIIIIIIIIII9IG9IC1 +@SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +GGGTGATGGCCGCTGCCGATGGCGTCAAATCCCACC3 ++SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +IIIIIIIIIIIIIIIIIIIIIIIIIIIIII9IG9IC3 diff -r 000000000000 -r de3c2c88e710 test-data/test_0.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test_0.tabular Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,4 @@ +#This is a file +#file data +foo.mgf bar +foo3.mgf bar3 diff -r 000000000000 -r de3c2c88e710 test-data/test_1.fasta --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test_1.fasta Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,6 @@ +>seq2 +PROTEIN +>seq4 +ASFWEFOIN +>seq6 +NOTAPROTEIN diff -r 000000000000 -r de3c2c88e710 test-data/test_1.fastq --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test_1.fastq Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,8 @@ +@SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +GGGTGATGGCCGCTGCCGATGGCGTCAAATCCCACC2 ++SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +IIIIIIIIIIIIIIIIIIIIIIIIIIIIII9IG9IC2 +@SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +GGGTGATGGCCGCTGCCGATGGCGTCAAATCCCACC4 ++SRR001666.1 071112_SLXA-EAS1_s_7:5:1:817:345 length=36 +IIIIIIIIIIIIIIIIIIIIIIIIIIIIII9IG9IC4 diff -r 000000000000 -r de3c2c88e710 test-data/test_1.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/test_1.tabular Tue Jul 17 14:37:13 2018 -0400 @@ -0,0 +1,4 @@ +#This is a file +#file data +foo2.mgf bar2 +foo.mgf bar4