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comparison CADDSuite/data/fragments/MET.db @ 0:bac3c274238f

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Migrated tool version 0.93 from old tool shed archive to new tool shed repository
author marcel
date Tue, 07 Jun 2011 16:43:30 -0400
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-1:000000000000 0:bac3c274238f
1 <node>MET
2 <node>Names
3 <node>Methionine</node>
4 <node>Methionin</node>
5 <node>Met</node>
6 <node>M</node>
7 </node>
8 <node>Atoms
9 <node>N<value>N 0.0654056 1.215812 -0.06949145</value></node>
10 <node>3H<value>H 0.9974914 1.608735 -0.04203663</value></node>
11 <node>CA<value>C -0.6988745 1.893029 -1.131979</value></node>
12 <node>HA<value>H -0.1911148 1.68141 -2.074138</value></node>
13 <node>C<value>C -0.6694928 3.410054 -0.9194202</value></node>
14 <node>O<value>O 0.4107355 3.973423 -1.201833</value></node>
15 <node>CB<value>C -2.121216 1.317703 -1.225039</value></node>
16 <node>1HB<value>H -2.050125 0.2325057 -1.312704</value></node>
17 <node>2HB<value>H -2.682049 1.549083 -0.318349</value></node>
18 <node>CG<value>C -2.887041 1.8377 -2.448318</value></node>
19 <node>1HG<value>H -2.99595 2.919347 -2.383954</value></node>
20 <node>2HG<value>H -2.322049 1.593525 -3.347709</value></node>
21 <node>SD<value>S -4.546617 1.137771 -2.634913</value></node>
22 <node>CE<value>C -5.081393 1.965263 -4.148402</value></node>
23 <node>1HE<value>H -6.08969 1.634787 -4.393987</value></node>
24 <node>2HE<value>H -5.078839 3.043304 -3.993342</value></node>
25 <node>3HE<value>H -4.404794 1.706412 -4.961773</value></node>
26 <node>OXT<value>O -1.565656 3.902471 -0.1992161</value></node>
27 <node>1H<value>H -0.3889995 1.363342 0.8203897</value></node>
28 <node>2H<value>H 0.1172404 0.226119 -0.264187</value></node>
29 </node>
30 <node>Bonds
31 <node>5<value>3H N s</value></node>
32 <node>6<value>CA N s</value></node>
33 <node>10<value>HA CA s</value></node>
34 <node>11<value>C CA s</value></node>
35 <node>14<value>O C d</value></node>
36 <node>15<value>CB CA s</value></node>
37 <node>19<value>1HB CB s</value></node>
38 <node>20<value>2HB CB s</value></node>
39 <node>21<value>CG CB s</value></node>
40 <node>25<value>1HG CG s</value></node>
41 <node>26<value>2HG CG s</value></node>
42 <node>27<value>SD CG s</value></node>
43 <node>33<value>CE SD s</value></node>
44 <node>37<value>1HE CE s</value></node>
45 <node>38<value>2HE CE s</value></node>
46 <node>39<value>3HE CE s</value></node>
47 <node>40<value>OXT C s</value></node>
48 <node>41<value>1H N s</value></node>
49 <node>42<value>2H N s</value></node>
50 </node>
51 <node>Connections
52 <node>N-term<value>N C-term s 1.33 0.5</value></node>
53 <node>C-term<value>C N-term s 1.33 0.5</value></node>
54 </node>
55 <node>Properties
56 <node>AMINO_ACID</node>
57 </node>
58 <node>Variants
59 <node>Default
60 <node>Delete
61 <node>OXT</node>
62 <node>1H</node>
63 <node>2H</node>
64 </node>
65 <node>Rename
66 <node>3H<value>H</value></node>
67 </node>
68 </node>
69 <node>MET-M
70 <node>Properties
71 <node>N_TERMINAL</node>
72 <node>C_TERMINAL</node>
73 </node>
74 </node>
75 <node>MET-C
76 <node>Delete
77 <node>1H</node>
78 <node>2H</node>
79 </node>
80 <node>Rename
81 <node>3H<value>H</value></node>
82 </node>
83 <node>Properties
84 <node>C_TERMINAL</node>
85 </node>
86 </node>
87 <node>MET-N
88 <node>Delete
89 <node>OXT</node>
90 </node>
91 <node>Properties
92 <node>N_TERMINAL</node>
93 </node>
94 </node>
95 </node>
96 </node>