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annotate CADDSuite-1.5/data/fragments/ASN.db @ 7:bfab27640f5e draft

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CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:13:59 -0400
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1 <node>ASN
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2 <node>Names
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3 <node>Asparagine</node>
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4 <node>Asparagin</node>
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5 <node>Asn</node>
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6 <node>N</node>
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7 </node>
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8 <node>Atoms
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9 <node>N<value>N -0.01239826 1.297873 -0.0455736</value></node>
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10 <node>3H<value>H 0.8807231 1.768826 0.03701005</value></node>
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11 <node>CA<value>C -0.7474616 1.91653 -1.164926</value></node>
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12 <node>HA<value>H -0.1937652 1.691628 -2.077897</value></node>
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13 <node>C<value>C -0.757567 3.441771 -1.010304</value></node>
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14 <node>O<value>O 0.3769885 3.962902 -0.9276295</value></node>
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15 <node>CB<value>C -2.149851 1.302218 -1.30196</value></node>
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16 <node>1HB<value>H -2.042859 0.2235991 -1.423685</value></node>
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17 <node>2HB<value>H -2.723301 1.490943 -0.3934487</value></node>
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18 <node>CG<value>C -2.91901 1.84635 -2.50453</value></node>
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19 <node>OD1<value>O -2.442698 2.721974 -3.218464</value></node>
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20 <node>ND2<value>N -4.125435 1.339006 -2.736042</value></node>
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21 <node>1HD2<value>H -4.50376 0.6180301 -2.140929</value></node>
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22 <node>2HD2<value>H -4.647904 1.686222 -3.525954</value></node>
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23 <node>1H<value>H -0.5352049 1.417775 0.8102037</value></node>
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24 <node>2H<value>H 0.1272759 0.3139404 -0.2256562</value></node>
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25 <node>OXT<value>O -1.806735 3.963976 -0.572751</value></node>
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26 </node>
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27 <node>Bonds
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28 <node>5<value>3H N s</value></node>
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29 <node>6<value>CA N s</value></node>
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30 <node>10<value>HA CA s</value></node>
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31 <node>11<value>C CA s</value></node>
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32 <node>14<value>O C d</value></node>
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33 <node>15<value>CB CA s</value></node>
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34 <node>19<value>1HB CB s</value></node>
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35 <node>20<value>2HB CB s</value></node>
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36 <node>21<value>CG CB s</value></node>
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37 <node>24<value>OD1 CG d</value></node>
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38 <node>25<value>ND2 CG s</value></node>
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39 <node>28<value>1HD2 ND2 s</value></node>
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40 <node>29<value>2HD2 ND2 s</value></node>
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41 <node>30<value>1H N s</value></node>
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42 <node>31<value>2H N s</value></node>
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43 <node>32<value>OXT C s</value></node>
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44 </node>
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45 <node>Connections
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46 <node>N-term<value>N C-term s 1.33 0.5</value></node>
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47 <node>C-term<value>C N-term s 1.33 0.5</value></node>
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48 </node>
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49 <node>Properties
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50 <node>AMINO_ACID</node>
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51 </node>
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52 <node>Variants
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53 <node>Default
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54 <node>Delete
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55 <node>OXT</node>
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56 <node>1H</node>
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57 <node>2H</node>
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58 </node>
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59 <node>Rename
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60 <node>3H<value>H</value></node>
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61 </node>
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62 </node>
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63 <node>ASN-M
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64 <node>Properties
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65 <node>C_TERMINAL</node>
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66 <node>N_TERMINAL</node>
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67 </node>
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68 </node>
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69 <node>ASN-C
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70 <node>Delete
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71 <node>1H</node>
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72 <node>2H</node>
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73 </node>
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74 <node>Rename
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75 <node>3H<value>H</value></node>
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76 </node>
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77 <node>Properties
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78 <node>C_TERMINAL</node>
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79 </node>
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80 </node>
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81 <node>ASN-N
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82 <node>Delete
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83 <node>OXT</node>
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84 </node>
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85 <node>Properties
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86 <node>N_TERMINAL</node>
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87 </node>
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88 </node>
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89 </node>
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90 </node>