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comparison CADDSuite-1.1/data/fragments/ASN.db @ 6:decca54699e3

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Uploaded Version 1.1
author marcel
date Thu, 12 Jan 2012 11:07:03 -0500
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5:e30a41af9d2b 6:decca54699e3
1 <node>ASN
2 <node>Names
3 <node>Asparagine</node>
4 <node>Asparagin</node>
5 <node>Asn</node>
6 <node>N</node>
7 </node>
8 <node>Atoms
9 <node>N<value>N -0.01239826 1.297873 -0.0455736</value></node>
10 <node>3H<value>H 0.8807231 1.768826 0.03701005</value></node>
11 <node>CA<value>C -0.7474616 1.91653 -1.164926</value></node>
12 <node>HA<value>H -0.1937652 1.691628 -2.077897</value></node>
13 <node>C<value>C -0.757567 3.441771 -1.010304</value></node>
14 <node>O<value>O 0.3769885 3.962902 -0.9276295</value></node>
15 <node>CB<value>C -2.149851 1.302218 -1.30196</value></node>
16 <node>1HB<value>H -2.042859 0.2235991 -1.423685</value></node>
17 <node>2HB<value>H -2.723301 1.490943 -0.3934487</value></node>
18 <node>CG<value>C -2.91901 1.84635 -2.50453</value></node>
19 <node>OD1<value>O -2.442698 2.721974 -3.218464</value></node>
20 <node>ND2<value>N -4.125435 1.339006 -2.736042</value></node>
21 <node>1HD2<value>H -4.50376 0.6180301 -2.140929</value></node>
22 <node>2HD2<value>H -4.647904 1.686222 -3.525954</value></node>
23 <node>1H<value>H -0.5352049 1.417775 0.8102037</value></node>
24 <node>2H<value>H 0.1272759 0.3139404 -0.2256562</value></node>
25 <node>OXT<value>O -1.806735 3.963976 -0.572751</value></node>
26 </node>
27 <node>Bonds
28 <node>5<value>3H N s</value></node>
29 <node>6<value>CA N s</value></node>
30 <node>10<value>HA CA s</value></node>
31 <node>11<value>C CA s</value></node>
32 <node>14<value>O C d</value></node>
33 <node>15<value>CB CA s</value></node>
34 <node>19<value>1HB CB s</value></node>
35 <node>20<value>2HB CB s</value></node>
36 <node>21<value>CG CB s</value></node>
37 <node>24<value>OD1 CG d</value></node>
38 <node>25<value>ND2 CG s</value></node>
39 <node>28<value>1HD2 ND2 s</value></node>
40 <node>29<value>2HD2 ND2 s</value></node>
41 <node>30<value>1H N s</value></node>
42 <node>31<value>2H N s</value></node>
43 <node>32<value>OXT C s</value></node>
44 </node>
45 <node>Connections
46 <node>N-term<value>N C-term s 1.33 0.5</value></node>
47 <node>C-term<value>C N-term s 1.33 0.5</value></node>
48 </node>
49 <node>Properties
50 <node>AMINO_ACID</node>
51 </node>
52 <node>Variants
53 <node>Default
54 <node>Delete
55 <node>OXT</node>
56 <node>1H</node>
57 <node>2H</node>
58 </node>
59 <node>Rename
60 <node>3H<value>H</value></node>
61 </node>
62 </node>
63 <node>ASN-M
64 <node>Properties
65 <node>C_TERMINAL</node>
66 <node>N_TERMINAL</node>
67 </node>
68 </node>
69 <node>ASN-C
70 <node>Delete
71 <node>1H</node>
72 <node>2H</node>
73 </node>
74 <node>Rename
75 <node>3H<value>H</value></node>
76 </node>
77 <node>Properties
78 <node>C_TERMINAL</node>
79 </node>
80 </node>
81 <node>ASN-N
82 <node>Delete
83 <node>OXT</node>
84 </node>
85 <node>Properties
86 <node>N_TERMINAL</node>
87 </node>
88 </node>
89 </node>
90 </node>