annotate CADDSuite/data/fragments/PHE.db @ 1:0dcf542923ab

Uploaded
author g2cmnty@test-web1.g2.bx.psu.edu
date Tue, 28 Jun 2011 10:39:47 -0400
parents 8ce0411aaeb3
children
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1 <node>PHE
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2 <node>Names
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3 <node>Phenylalanine</node>
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4 <node>Phenylalanin</node>
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5 <node>Phe</node>
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6 <node>F</node>
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7 </node>
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8 <node>Atoms
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9 <node>N<value>N 0.1341407 1.351202 -0.07911759</value></node>
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10 <node>3H<value>H 0.803193 2.035005 0.2534044</value></node>
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11 <node>CA<value>C -0.7211604 2.001838 -1.087341</value></node>
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12 <node>HA<value>H -0.07892336 2.270821 -1.926756</value></node>
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13 <node>C<value>C -1.300131 3.307535 -0.5325462</value></node>
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14 <node>O<value>O -0.4477309 4.171679 -0.229457</value></node>
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15 <node>CB<value>C -1.791856 1.027805 -1.599674</value></node>
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16 <node>1HB<value>H -1.28636 0.160502 -2.026756</value></node>
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17 <node>2HB<value>H -2.380364 0.6727667 -0.7525354</value></node>
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18 <node>CG<value>C -2.70873 1.607533 -2.661208</value></node>
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19 <node>CD1<value>C -4.074711 1.815559 -2.387768</value></node>
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20 <node>HD1<value>H -4.496757 1.527902 -1.435336</value></node>
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21 <node>CD2<value>C -2.185439 1.971959 -3.916095</value></node>
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22 <node>HD2<value>H -1.142983 1.801105 -4.144545</value></node>
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23 <node>CE1<value>C -4.90709 2.399215 -3.358655</value></node>
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24 <node>HE1<value>H -5.955226 2.557371 -3.147432</value></node>
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25 <node>CE2<value>C -3.019025 2.554821 -4.88633</value></node>
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26 <node>HE2<value>H -2.61471 2.832835 -5.84938</value></node>
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27 <node>CZ<value>C -4.379117 2.771946 -4.606688</value></node>
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28 <node>HZ<value>H -5.020426 3.217529 -5.354036</value></node>
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29 <node>1H<value>H -0.4341985 1.034029 0.6931909</value></node>
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30 <node>2H<value>H 0.6169096 0.5661594 -0.4922875</value></node>
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31 <node>OXT<value>O -2.460581 3.26509 -0.06804343</value></node>
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32 </node>
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33 <node>Bonds
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34 <node>5<value>3H N s</value></node>
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35 <node>6<value>CA N s</value></node>
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36 <node>10<value>HA CA s</value></node>
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37 <node>11<value>C CA s</value></node>
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38 <node>14<value>O C d</value></node>
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39 <node>15<value>CB CA s</value></node>
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40 <node>19<value>1HB CB s</value></node>
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41 <node>20<value>2HB CB s</value></node>
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42 <node>21<value>CG CB s</value></node>
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43 <node>24<value>CD1 CG a</value></node>
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44 <node>27<value>HD1 CD1 s</value></node>
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45 <node>28<value>CD2 CG a</value></node>
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46 <node>31<value>HD2 CD2 s</value></node>
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47 <node>32<value>CE1 CD1 a</value></node>
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48 <node>35<value>HE1 CE1 s</value></node>
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49 <node>36<value>CE2 CD2 a</value></node>
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50 <node>39<value>HE2 CE2 s</value></node>
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51 <node>40<value>CZ CE1 a</value></node>
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52 <node>41<value>CZ CE2 a</value></node>
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53 <node>43<value>HZ CZ s</value></node>
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54 <node>44<value>1H N s</value></node>
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55 <node>45<value>2H N s</value></node>
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56 <node>46<value>OXT C s</value></node>
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57 </node>
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58 <node>Connections
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59 <node>N-term<value>N C-term s 1.33 0.5</value></node>
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60 <node>C-term<value>C N-term s 1.33 0.5</value></node>
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61 </node>
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62 <node>Properties
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63 <node>AMINO_ACID</node>
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64 </node>
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65 <node>Variants
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66 <node>Default
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67 <node>Delete
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68 <node>OXT</node>
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69 <node>1H</node>
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70 <node>2H</node>
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71 </node>
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72 <node>Rename
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73 <node>3H<value>H</value></node>
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74 </node>
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75 </node>
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76 <node>PHE-M
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77 <node>Properties
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78 <node>C_TERMINAL</node>
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79 <node>N_TERMINAL</node>
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80 </node>
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81 </node>
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82 <node>PHE-C
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83 <node>Delete
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84 <node>1H</node>
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85 <node>2H</node>
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86 </node>
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87 <node>Rename
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88 <node>3H<value>H</value></node>
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89 </node>
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90 <node>Properties
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91 <node>C_TERMINAL</node>
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92 </node>
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93 </node>
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94 <node>PHE-N
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95 <node>Delete
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96 <node>OXT</node>
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97 </node>
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98 <node>Properties
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99 <node>N_TERMINAL</node>
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100 </node>
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101 </node>
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102 </node>
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103 </node>