Mercurial > repos > marcel > caddsuite_mac10_6
comparison CADDSuite-1.0.1/data/fragments/ASN.db @ 5:e30a41af9d2b
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author | marcel |
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date | Tue, 15 Nov 2011 10:53:16 -0500 |
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4:af446ca2d5c6 | 5:e30a41af9d2b |
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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> |