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annotate CADDSuite-1.5/data/fragments/VAL.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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1 <node>VAL
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2 <node>Names
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3 <node>Valine</node>
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4 <node>Valin</node>
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5 <node>Val</node>
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6 <node>V</node>
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7 </node>
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8 <node>Atoms
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9 <node>N<value>N 0.08111785 1.2013 -0.133711</value></node>
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10 <node>3H<value>H 0.9032491 1.762717 0.06032801</value></node>
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11 <node>CA<value>C -0.698245 1.931722 -1.152099</value></node>
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12 <node>HA<value>H -0.2125321 1.7346 -2.108571</value></node>
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13 <node>C<value>C -0.5967644 3.443358 -0.9052255</value></node>
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14 <node>O<value>O 0.3370198 3.799585 -0.1501447</value></node>
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15 <node>CB<value>C -2.141793 1.389981 -1.219405</value></node>
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16 <node>HB<value>H -2.073082 0.3006792 -1.23859</value></node>
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17 <node>CG1<value>C -2.976131 1.780723 0.008393872</value></node>
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18 <node>1HG1<value>H -3.953726 1.301327 -0.05053521</value></node>
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19 <node>2HG1<value>H -2.483032 1.448739 0.9220271</value></node>
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20 <node>3HG1<value>H -3.118463 2.860577 0.05077193</value></node>
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21 <node>CG2<value>C -2.878923 1.800528 -2.501579</value></node>
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22 <node>1HG2<value>H -3.809818 1.237256 -2.575363</value></node>
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23 <node>2HG2<value>H -3.122159 2.862025 -2.496346</value></node>
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24 <node>3HG2<value>H -2.266089 1.572718 -3.374182</value></node>
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25 <node>OXT<value>O -1.142181 4.189281 -1.746952</value></node>
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26 <node>1H<value>H -0.4588342 1.115157 0.7148547</value></node>
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27 <node>2H<value>H 0.3376986 0.2854735 -0.4735033</value></node>
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28 </node>
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29 <node>Bonds
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30 <node>5<value>3H N s</value></node>
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31 <node>6<value>CA N s</value></node>
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32 <node>10<value>HA CA s</value></node>
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33 <node>11<value>C CA s</value></node>
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34 <node>14<value>O C d</value></node>
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35 <node>15<value>CB CA s</value></node>
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36 <node>19<value>HB CB s</value></node>
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37 <node>20<value>CG1 CB s</value></node>
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38 <node>24<value>1HG1 CG1 s</value></node>
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39 <node>25<value>2HG1 CG1 s</value></node>
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40 <node>26<value>3HG1 CG1 s</value></node>
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41 <node>27<value>CG2 CB s</value></node>
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42 <node>31<value>1HG2 CG2 s</value></node>
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43 <node>32<value>2HG2 CG2 s</value></node>
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44 <node>33<value>3HG2 CG2 s</value></node>
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45 <node>34<value>OXT C s</value></node>
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46 <node>35<value>1H N s</value></node>
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47 <node>36<value>2H N s</value></node>
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48 </node>
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49 <node>Connections
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50 <node>N-term<value>N C-term s 1.33 0.5</value></node>
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51 <node>C-term<value>C N-term s 1.33 0.5</value></node>
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52 </node>
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53 <node>Properties
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54 <node>AMINO_ACID</node>
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55 </node>
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56 <node>Variants
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57 <node>Default
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58 <node>Delete
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59 <node>OXT</node>
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60 <node>1H</node>
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61 <node>2H</node>
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62 </node>
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63 <node>Rename
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64 <node>3H<value>H</value></node>
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65 </node>
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66 </node>
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67 <node>VAL-M
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68 <node>Properties
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69 <node>N_TERMINAL</node>
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70 <node>C_TERMINAL</node>
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71 </node>
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72 </node>
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73 <node>VAL-C
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74 <node>Delete
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75 <node>1H</node>
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76 <node>2H</node>
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77 </node>
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78 <node>Rename
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79 <node>3H<value>H</value></node>
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80 </node>
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81 <node>Properties
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82 <node>C_TERMINAL</node>
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83 </node>
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84 </node>
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85 <node>VAL-N
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86 <node>Delete
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87 <node>OXT</node>
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88 </node>
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89 <node>Properties
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90 <node>N_TERMINAL</node>
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91 </node>
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92 </node>
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93 </node>
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94 </node>