annotate CADDSuite-1.0.1/data/fragments/MET.db @ 5:e30a41af9d2b

Uploaded
author marcel
date Tue, 15 Nov 2011 10:53:16 -0500
parents
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
5
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
1 <node>MET
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
2 <node>Names
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
3 <node>Methionine</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
4 <node>Methionin</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
5 <node>Met</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
6 <node>M</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
7 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
8 <node>Atoms
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
9 <node>N<value>N 0.0654056 1.215812 -0.06949145</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
10 <node>3H<value>H 0.9974914 1.608735 -0.04203663</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
11 <node>CA<value>C -0.6988745 1.893029 -1.131979</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
12 <node>HA<value>H -0.1911148 1.68141 -2.074138</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
13 <node>C<value>C -0.6694928 3.410054 -0.9194202</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
14 <node>O<value>O 0.4107355 3.973423 -1.201833</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
15 <node>CB<value>C -2.121216 1.317703 -1.225039</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
16 <node>1HB<value>H -2.050125 0.2325057 -1.312704</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
17 <node>2HB<value>H -2.682049 1.549083 -0.318349</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
18 <node>CG<value>C -2.887041 1.8377 -2.448318</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
19 <node>1HG<value>H -2.99595 2.919347 -2.383954</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
20 <node>2HG<value>H -2.322049 1.593525 -3.347709</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
21 <node>SD<value>S -4.546617 1.137771 -2.634913</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
22 <node>CE<value>C -5.081393 1.965263 -4.148402</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
23 <node>1HE<value>H -6.08969 1.634787 -4.393987</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
24 <node>2HE<value>H -5.078839 3.043304 -3.993342</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
25 <node>3HE<value>H -4.404794 1.706412 -4.961773</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
26 <node>OXT<value>O -1.565656 3.902471 -0.1992161</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
27 <node>1H<value>H -0.3889995 1.363342 0.8203897</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
28 <node>2H<value>H 0.1172404 0.226119 -0.264187</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
29 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
30 <node>Bonds
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
31 <node>5<value>3H N s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
32 <node>6<value>CA N s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
33 <node>10<value>HA CA s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
34 <node>11<value>C CA s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
35 <node>14<value>O C d</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
36 <node>15<value>CB CA s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
37 <node>19<value>1HB CB s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
38 <node>20<value>2HB CB s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
39 <node>21<value>CG CB s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
40 <node>25<value>1HG CG s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
41 <node>26<value>2HG CG s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
42 <node>27<value>SD CG s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
43 <node>33<value>CE SD s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
44 <node>37<value>1HE CE s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
45 <node>38<value>2HE CE s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
46 <node>39<value>3HE CE s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
47 <node>40<value>OXT C s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
48 <node>41<value>1H N s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
49 <node>42<value>2H N s</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
50 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
51 <node>Connections
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
52 <node>N-term<value>N C-term s 1.33 0.5</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
53 <node>C-term<value>C N-term s 1.33 0.5</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
54 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
55 <node>Properties
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
56 <node>AMINO_ACID</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
57 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
58 <node>Variants
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
59 <node>Default
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
60 <node>Delete
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
61 <node>OXT</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
62 <node>1H</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
63 <node>2H</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
64 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
65 <node>Rename
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
66 <node>3H<value>H</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
67 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
68 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
69 <node>MET-M
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
70 <node>Properties
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
71 <node>N_TERMINAL</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
72 <node>C_TERMINAL</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
73 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
74 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
75 <node>MET-C
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
76 <node>Delete
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
77 <node>1H</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
78 <node>2H</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
79 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
80 <node>Rename
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
81 <node>3H<value>H</value></node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
82 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
83 <node>Properties
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
84 <node>C_TERMINAL</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
85 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
86 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
87 <node>MET-N
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
88 <node>Delete
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
89 <node>OXT</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
90 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
91 <node>Properties
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
92 <node>N_TERMINAL</node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
93 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
94 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
95 </node>
e30a41af9d2b Uploaded
marcel
parents:
diff changeset
96 </node>