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comparison CADDSuite-1.5/data/fragments/ASP.db @ 15:ac342506cd4e draft

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CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:08:49 -0400
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14:55c32b55c2c2 15:ac342506cd4e
1 <node>ASP
2 <node>Names
3 <node>Aspartate</node>
4 <node>Aspartat</node>
5 <node>Asp</node>
6 <node>D</node>
7 </node>
8 <node>Atoms
9 <node>N<value>N 0.1006113 1.231053 -0.1065504</value></node>
10 <node>3H<value>H 0.7826706 1.919109 0.1901606</value></node>
11 <node>CA<value>C -0.6776782 1.854581 -1.196471</value></node>
12 <node>HA<value>H -0.140641 1.67647 -2.129506</value></node>
13 <node>C<value>C -0.7684437 3.377808 -1.00658</value></node>
14 <node>O<value>O -0.1755398 3.814352 0.008837678</value></node>
15 <node>CB<value>C -2.059715 1.201639 -1.304611</value></node>
16 <node>1HB<value>H -1.947421 0.1437317 -1.541582</value></node>
17 <node>2HB<value>H -2.583309 1.296861 -0.3531539</value></node>
18 <node>CG<value>C -2.895658 1.868856 -2.384729</value></node>
19 <node>OD1<value>O -2.861295 1.365629 -3.526181</value></node>
20 <node>OD2<value>O -3.508188 2.905267 -2.052321</value></node>
21 <node>OXT<value>O -0.9198192 4.048685 -2.051676</value></node>
22 <node>1H<value>H -0.5109496 1.02733 0.6709606</value></node>
23 <node>2H<value>H 0.5472904 0.3836241 -0.4264945</value></node>
24 </node>
25 <node>Bonds
26 <node>5<value>3H N s</value></node>
27 <node>6<value>CA N s</value></node>
28 <node>10<value>HA CA s</value></node>
29 <node>11<value>C CA s</value></node>
30 <node>14<value>O C d</value></node>
31 <node>15<value>CB CA s</value></node>
32 <node>19<value>1HB CB s</value></node>
33 <node>20<value>2HB CB s</value></node>
34 <node>21<value>CG CB s</value></node>
35 <node>24<value>OD1 CG a</value></node>
36 <node>25<value>OD2 CG a</value></node>
37 <node>26<value>OXT C s</value></node>
38 <node>27<value>1H N s</value></node>
39 <node>28<value>2H N s</value></node>
40 </node>
41 <node>Connections
42 <node>N-term<value>N C-term s 1.33 0.5</value></node>
43 <node>C-term<value>C N-term s 1.33 0.5</value></node>
44 </node>
45 <node>Properties
46 <node>AMINO_ACID</node>
47 </node>
48 <node>Variants
49 <node>Default
50 <node>Delete
51 <node>OXT</node>
52 <node>1H</node>
53 <node>2H</node>
54 </node>
55 <node>Rename
56 <node>3H<value>H</value></node>
57 </node>
58 </node>
59 <node>ASP-M
60 <node>Properties
61 <node>N_TERMINAL</node>
62 <node>C_TERMINAL</node>
63 </node>
64 </node>
65 <node>ASP-N
66 <node>Delete
67 <node>OXT</node>
68 </node>
69 <node>Properties
70 <node>N_TERMINAL</node>
71 </node>
72 </node>
73 <node>ASP-C
74 <node>Delete
75 <node>1H</node>
76 <node>2H</node>
77 </node>
78 <node>Rename
79 <node>3H<value>H</value></node>
80 </node>
81 <node>Properties
82 <node>C_TERMINAL</node>
83 </node>
84 </node>
85 </node>
86 </node>