Mercurial > repos > marcel > caddsuite_mac10_6

annotate CADDSuite-1.1/data/fragments/LEU.db @ 6:decca54699e3

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Uploaded Version 1.1
author marcel
date Thu, 12 Jan 2012 11:07:03 -0500
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6
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1 <node>LEU
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2 <node>Names
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3 <node>Leucine</node>
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4 <node>Leucin</node>
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5 <node>Leu</node>
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6 <node>L</node>
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7 </node>
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8 <node>Atoms
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9 <node>N<value>N -0.003476313 1.235853 0.02699674</value></node>
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10 <node>3H<value>H 0.7720473 1.82942 0.3005252</value></node>
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11 <node>CA<value>C -0.6514053 1.883178 -1.129898</value></node>
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12 <node>HA<value>H -0.07017973 1.598957 -2.006831</value></node>
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13 <node>C<value>C -0.5708863 3.410168 -0.9936234</value></node>
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14 <node>O<value>O 0.1419036 3.827524 -0.05211589</value></node>
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15 <node>CB<value>C -2.091007 1.359104 -1.274005</value></node>
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16 <node>1HB<value>H -2.046227 0.2694775 -1.310338</value></node>
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17 <node>2HB<value>H -2.646399 1.642544 -0.3785246</value></node>
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18 <node>CG<value>C -2.872831 1.847369 -2.507179</value></node>
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19 <node>HG<value>H -3.019899 2.926006 -2.455012</value></node>
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20 <node>CD1<value>C -2.162796 1.498542 -3.821336</value></node>
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21 <node>1HD1<value>H -2.800384 1.766798 -4.664294</value></node>
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22 <node>2HD1<value>H -1.228827 2.051352 -3.913459</value></node>
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23 <node>3HD1<value>H -1.954294 0.4288859 -3.861405</value></node>
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24 <node>CD2<value>C -4.261661 1.198464 -2.502073</value></node>
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25 <node>1HD2<value>H -4.845348 1.564912 -3.347144</value></node>
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26 <node>2HD2<value>H -4.171115 0.1141629 -2.575422</value></node>
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27 <node>3HD2<value>H -4.785489 1.451318 -1.579679</value></node>
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28 <node>OXT<value>O -0.8228753 4.072413 -2.02374</value></node>
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29 <node>1H<value>H -0.6580312 1.186075 0.7945588</value></node>
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30 <node>2H<value>H 0.3136166 0.3082535 -0.2161924</value></node>
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31 </node>
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32 <node>Bonds
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33 <node>5<value>3H N s</value></node>
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34 <node>6<value>CA N s</value></node>
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35 <node>10<value>HA CA s</value></node>
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36 <node>11<value>C CA s</value></node>
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37 <node>14<value>O C d</value></node>
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38 <node>15<value>CB CA s</value></node>
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39 <node>19<value>1HB CB s</value></node>
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40 <node>20<value>2HB CB s</value></node>
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41 <node>21<value>CG CB s</value></node>
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42 <node>25<value>HG CG s</value></node>
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43 <node>26<value>CD1 CG s</value></node>
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44 <node>30<value>1HD1 CD1 s</value></node>
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45 <node>31<value>2HD1 CD1 s</value></node>
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46 <node>32<value>3HD1 CD1 s</value></node>
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47 <node>33<value>CD2 CG s</value></node>
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48 <node>37<value>1HD2 CD2 s</value></node>
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49 <node>38<value>2HD2 CD2 s</value></node>
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50 <node>39<value>3HD2 CD2 s</value></node>
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51 <node>40<value>OXT C s</value></node>
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52 <node>41<value>1H N s</value></node>
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53 <node>42<value>2H N s</value></node>
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54 </node>
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55 <node>Connections
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56 <node>N-term<value>N C-term s 1.33 0.5</value></node>
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57 <node>C-term<value>C N-term s 1.33 0.5</value></node>
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58 </node>
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59 <node>Properties
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60 <node>AMINO_ACID</node>
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61 </node>
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62 <node>Variants
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63 <node>Default
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64 <node>Delete
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65 <node>OXT</node>
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66 <node>1H</node>
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67 <node>2H</node>
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68 </node>
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69 <node>Rename
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70 <node>3H<value>H</value></node>
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71 </node>
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72 </node>
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73 <node>LEU-M
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74 <node>Properties
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75 <node>C_TERMINAL</node>
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76 <node>N_TERMINAL</node>
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77 </node>
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78 </node>
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79 <node>LEU-C
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80 <node>Delete
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81 <node>1H</node>
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82 <node>2H</node>
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83 </node>
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84 <node>Rename
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85 <node>3H<value>H</value></node>
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86 </node>
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87 <node>Properties
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88 <node>C_TERMINAL</node>
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89 </node>
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90 </node>
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91 <node>LEU-N
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92 <node>Delete
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93 <node>OXT</node>
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94 </node>
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95 <node>Properties
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96 <node>N_TERMINAL</node>
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97 </node>
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98 </node>
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99 </node>
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100 </node>