NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
15194 |
1xpn   |
6343 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
remarks Ni-Ni+1 assign (resid 26 and name HN )(resid 27 and name HN ) 1.8 0.0 2.2 assign (resid 35 and name HN )(resid 36 and name HN ) 1.8 0.0 1.7 assign (resid 36 and name HN )(resid 37 and name HN ) 1.8 0.0 1.7 assign (resid 37 and name HN )(resid 38 and name HN ) 1.8 0.0 1.7 assign (resid 38 and name HN )(resid 39 and name HN ) 1.8 0.0 3.2 assign (resid 40 and name HN )(resid 41 and name HN ) 1.8 0.0 1.7 assign (resid 43 and name HN )(resid 44 and name HN ) 1.8 0.0 2.2 assign (resid 44 and name HN )(resid 45 and name HN ) 1.8 0.0 3.2 assign (resid 45 and name HN )(resid 46 and name HN ) 1.8 0.0 3.2 assign (resid 48 and name HN )(resid 49 and name HN ) 1.8 0.0 3.2 assign (resid 49 and name HN )(resid 50 and name HN ) 1.8 0.0 3.2 assign (resid 53 and name HN )(resid 54 and name HN ) 1.8 0.0 3.2 assign (resid 55 and name HN )(resid 56 and name HN ) 1.8 0.0 3.2 assign (resid 57 and name HN )(resid 58 and name HN ) 1.8 0.0 1.7 assign (resid 58 and name HN )(resid 59 and name HN ) 1.8 0.0 3.2 assign (resid 59 and name HN )(resid 60 and name HN ) 1.8 0.0 3.2 assign (resid 60 and name HN )(resid 61 and name HN ) 1.8 0.0 3.2 assign (resid 61 and name HN )(resid 62 and name HN ) 1.8 0.0 1.7 assign (resid 62 and name HN )(resid 63 and name HN ) 1.8 0.0 3.2 assign (resid 63 and name HN )(resid 64 and name HN ) 1.8 0.0 3.2 assign (resid 64 and name HN )(resid 65 and name HN ) 1.8 0.0 3.2 assign (resid 66 and name HN )(resid 67 and name HN ) 1.8 0.0 3.2 assign (resid 68 and name HN )(resid 69 and name HN ) 1.8 0.0 3.2 assign (resid 75 and name HN )(resid 76 and name HN ) 1.8 0.0 3.2 assign (resid 76 and name HN )(resid 77 and name HN ) 1.8 0.0 1.7 assign (resid 77 and name HN )(resid 78 and name HN ) 1.8 0.0 1.7 assign (resid 78 and name HN )(resid 79 and name HN ) 1.8 0.0 1.7 assign (resid 79 and name HN )(resid 80 and name HN ) 1.8 0.0 1.7 assign (resid 80 and name HN )(resid 81 and name HN ) 1.8 0.0 1.7 assign (resid 81 and name HN )(resid 82 and name HN ) 1.8 0.0 1.7 assign (resid 82 and name HN )(resid 83 and name HN ) 1.8 0.0 1.7 assign (resid 83 and name HN )(resid 84 and name HN ) 1.8 0.0 1.7 assign (resid 85 and name HN )(resid 86 and name HN ) 1.8 0.0 3.2 assign (resid 88 and name HN )(resid 89 and name HN ) 1.8 0.0 3.2 assign (resid 89 and name HN )(resid 90 and name HN ) 1.8 0.0 3.2 assign (resid 90 and name HN )(resid 91 and name HN ) 1.8 0.0 1.0 assign (resid 91 and name HN )(resid 92 and name HN ) 1.8 0.0 3.2 assign (resid 94 and name HN )(resid 95 and name HN ) 1.8 0.0 1.0 assign (resid 95 and name HN )(resid 96 and name HN ) 1.8 0.0 3.2 assign (resid 103 and name HN )(resid 104 and name HN ) 1.8 0.0 1.7 assign (resid 104 and name HN )(resid 105 and name HN ) 1.8 0.0 1.7 assign (resid 105 and name HN )(resid 106 and name HN ) 1.8 0.0 1.7 assign (resid 106 and name HN )(resid 107 and name HN ) 1.8 0.0 1.7 assign (resid 107 and name HN )(resid 108 and name HN ) 1.8 0.0 1.7 assign (resid 109 and name HN )(resid 110 and name HN ) 1.8 0.0 3.2 assign (resid 110 and name HN )(resid 111 and name HN ) 1.8 0.0 3.2 assign (resid 112 and name HN )(resid 113 and name HN ) 1.8 0.0 3.2 assign (resid 113 and name HN )(resid 114 and name HN ) 1.8 0.0 3.2 assign (resid 115 and name HN )(resid 116 and name HN ) 1.8 0.0 3.2 assign (resid 116 and name HN )(resid 117 and name HN ) 1.8 0.0 1.2 assign (resid 117 and name HN )(resid 118 and name HN ) 1.8 0.0 1.7 assign (resid 123 and name HN )(resid 124 and name HN ) 1.8 0.0 2.2 assign (resid 126 and name HN )(resid 127 and name HN ) 1.8 0.0 3.2 assign (resid 129 and name HN )(resid 130 and name HN ) 1.8 0.0 3.2 assign (resid 132 and name HN )(resid 133 and name HN ) 1.8 0.0 3.2 assign (resid 137 and name HN )(resid 138 and name HN ) 1.8 0.0 3.2 assign (resid 138 and name HN )(resid 139 and name HN ) 1.8 0.0 3.2 assign (resid 140 and name HN )(resid 141 and name HN ) 1.8 0.0 3.2 assign (resid 142 and name HN )(resid 143 and name HN ) 1.8 0.0 3.2 assign (resid 143 and name HN )(resid 144 and name HN ) 1.8 0.0 1.7 assign (resid 144 and name HN )(resid 145 and name HN ) 1.8 0.0 3.2 assign (resid 145 and name HN )(resid 146 and name HN ) 1.8 0.0 3.2 assign (resid 146 and name HN )(resid 147 and name HN ) 1.8 0.0 3.2 assign (resid 147 and name HN )(resid 148 and name HN ) 1.8 0.0 3.2 assign (resid 149 and name HN )(resid 150 and name HN ) 1.8 0.0 3.2 assign (resid 154 and name HN )(resid 155 and name HN ) 1.8 0.0 3.2 assign (resid 156 and name HN )(resid 157 and name HN ) 1.8 0.0 3.2 assign (resid 159 and name HN )(resid 160 and name HN ) 1.8 0.0 3.2 assign (resid 160 and name HN )(resid 161 and name HN ) 1.8 0.0 3.2 assign (resid 161 and name HN )(resid 162 and name HN ) 1.8 0.0 1.7 assign (resid 164 and name HN )(resid 165 and name HN ) 1.8 0.0 3.2 assign (resid 165 and name HN )(resid 166 and name HN ) 1.8 0.0 3.2 remarks Ni-Ni+2 assign (resid 141 and name HN )(resid 143 and name HN ) 1.8 0.0 3.2 remarks aiNi+1 assign (resid 26 and name HA )(resid 27 and name HN ) 1.8 0.0 1.7 assign (resid 28 and name HA )(resid 29 and name HN ) 1.8 0.0 1.7 assign (resid 29 and name HA )(resid 30 and name HN ) 1.8 0.0 1.7 assign (resid 38 and name HA )(resid 39 and name HN ) 1.8 0.0 1.7 assign (resid 40 and name HA )(resid 41 and name HN ) 1.8 0.0 1.7 assign (resid 41 and name HA )(resid 42 and name HN ) 1.8 0.0 1.0 assign (resid 42 and name HA1 )(resid 43 and name HN ) 1.8 0.0 1.7 assign (resid 42 and name HA2 )(resid 43 and name HN ) 1.8 0.0 1.7 assign (resid 45 and name HA )(resid 46 and name HN ) 1.8 0.0 1.7 assign (resid 46 and name HA )(resid 47 and name HN ) 1.8 0.0 1.7 assign (resid 47 and name HA )(resid 48 and name HN ) 1.8 0.0 1.7 assign (resid 48 and name HA1 )(resid 49 and name HN ) 1.8 0.0 1.7 assign (resid 48 and name HA2 )(resid 49 and name HN ) 1.8 0.0 1.7 assign (resid 49 and name HA )(resid 50 and name HN ) 1.8 0.0 1.7 assign (resid 50 and name HA )(resid 51 and name HN ) 1.8 0.0 1.7 assign (resid 51 and name HA )(resid 52 and name HN ) 1.8 0.0 1.7 assign (resid 52 and name HA )(resid 53 and name HN ) 1.8 0.0 1.7 assign (resid 53 and name HA )(resid 54 and name HN ) 1.8 0.0 1.7 assign (resid 54 and name HA )(resid 55 and name HN ) 1.8 0.0 1.7 assign (resid 59 and name HA )(resid 60 and name HN ) 1.8 0.0 1.7 assign (resid 60 and name HA )(resid 61 and name HN ) 1.8 0.0 1.0 assign (resid 63 and name HA )(resid 64 and name HN ) 1.8 0.0 1.7 assign (resid 64 and name HA )(resid 65 and name HN ) 1.8 0.0 1.7 assign (resid 65 and name HA )(resid 66 and name HN ) 1.8 0.0 1.0 assign (resid 66 and name HA )(resid 67 and name HN ) 1.8 0.0 1.0 assign (resid 67 and name HA )(resid 68 and name HN ) 1.8 0.0 1.7 assign (resid 69 and name HA )(resid 70 and name HN ) 1.8 0.0 1.7 assign (resid 71 and name HA )(resid 72 and name HN ) 1.8 0.0 1.0 assign (resid 72 and name HA )(resid 73 and name HN ) 1.8 0.0 2.2 assign (resid 85 and name HA )(resid 86 and name HN ) 1.8 0.0 1.7 assign (resid 86 and name HA )(resid 87 and name HN ) 1.8 0.0 1.7 assign (resid 87 and name HA )(resid 88 and name HN ) 1.8 0.0 1.7 assign (resid 91 and name HA )(resid 92 and name HN ) 1.8 0.0 1.0 assign (resid 95 and name HA )(resid 96 and name HN ) 1.8 0.0 1.0 assign (resid 98 and name HA )(resid 99 and name HN ) 1.8 0.0 1.0 assign (resid 99 and name HA )(resid 100 and name HN ) 1.8 0.0 1.0 assign (resid 100 and name HA )(resid 101 and name HN ) 1.8 0.0 1.7 assign (resid 108 and name HA )(resid 109 and name HN ) 1.8 0.0 1.7 assign (resid 109 and name HA )(resid 110 and name HN ) 1.8 0.0 1.0 assign (resid 110 and name HA )(resid 111 and name HN ) 1.8 0.0 1.0 assign (resid 112 and name HA )(resid 113 and name HN ) 1.8 0.0 1.0 assign (resid 118 and name HA )(resid 119 and name HN ) 1.8 0.0 1.7 assign (resid 119 and name HA )(resid 120 and name HN ) 1.8 0.0 1.7 assign (resid 120 and name HA )(resid 121 and name HN ) 1.8 0.0 1.7 assign (resid 121 and name HA )(resid 122 and name HN ) 1.8 0.0 1.0 assign (resid 122 and name HA )(resid 123 and name HN ) 1.8 0.0 1.7 assign (resid 125 and name HA )(resid 126 and name HN ) 1.8 0.0 1.7 assign (resid 126 and name HA )(resid 127 and name HN ) 1.8 0.0 1.7 assign (resid 127 and name HA# )(resid 128 and name HN ) 1.8 0.0 2.3 assign (resid 128 and name HA )(resid 129 and name HN ) 1.8 0.0 1.7 assign (resid 129 and name HA )(resid 130 and name HN ) 1.8 0.0 1.7 assign (resid 130 and name HA )(resid 131 and name HN ) 1.8 0.0 1.7 assign (resid 131 and name HA )(resid 132 and name HN ) 1.8 0.0 1.7 assign (resid 132 and name HA )(resid 133 and name HN ) 1.8 0.0 1.7 assign (resid 133 and name HA )(resid 134 and name HN ) 1.8 0.0 1.0 assign (resid 134 and name HA )(resid 135 and name HN ) 1.8 0.0 1.7 assign (resid 135 and name HA )(resid 136 and name HN ) 1.8 0.0 1.7 assign (resid 136 and name HA )(resid 137 and name HN ) 1.8 0.0 1.7 assign (resid 137 and name HA )(resid 138 and name HN ) 1.8 0.0 1.7 assign (resid 138 and name HA )(resid 139 and name HN ) 1.8 0.0 1.0 assign (resid 140 and name HA )(resid 141 and name HN ) 1.8 0.0 1.0 assign (resid 141 and name HA )(resid 142 and name HN ) 1.8 0.0 1.7 assign (resid 142 and name HA )(resid 143 and name HN ) 1.8 0.0 1.7 assign (resid 144 and name HA )(resid 145 and name HN ) 1.8 0.0 1.0 assign (resid 145 and name HA )(resid 146 and name HN ) 1.8 0.0 1.0 assign (resid 146 and name HA )(resid 147 and name HN ) 1.8 0.0 1.7 assign (resid 147 and name HA )(resid 148 and name HN ) 1.8 0.0 1.7 assign (resid 148 and name HA )(resid 149 and name HN ) 1.8 0.0 1.7 assign (resid 149 and name HA1 )(resid 150 and name HN ) 1.8 0.0 1.7 assign (resid 149 and name HA2 )(resid 150 and name HN ) 1.8 0.0 1.7 assign (resid 150 and name HA1 )(resid 151 and name HN ) 1.8 0.0 1.7 assign (resid 150 and name HA2 )(resid 151 and name HN ) 1.8 0.0 1.7 assign (resid 151 and name HA )(resid 152 and name HN ) 1.8 0.0 1.7 assign (resid 152 and name HA )(resid 153 and name HN ) 1.8 0.0 1.7 assign (resid 153 and name HA )(resid 154 and name HN ) 1.8 0.0 1.7 assign (resid 154 and name HA )(resid 155 and name HN ) 1.8 0.0 1.0 assign (resid 155 and name HA )(resid 156 and name HN ) 1.8 0.0 1.7 assign (resid 156 and name HA )(resid 157 and name HN ) 1.8 0.0 1.0 assign (resid 157 and name HA )(resid 158 and name HN ) 1.8 0.0 1.7 assign (resid 158 and name HA )(resid 159 and name HN ) 1.8 0.0 1.7 assign (resid 159 and name HA )(resid 160 and name HN ) 1.8 0.0 1.7 assign (resid 160 and name HA# )(resid 161 and name HN ) 1.8 0.0 2.3 assign (resid 163 and name HA )(resid 164 and name HN ) 1.8 0.0 1.7 assign (resid 164 and name HA )(resid 165 and name HN ) 1.8 0.0 1.0 assign (resid 165 and name HA )(resid 166 and name HN ) 1.8 0.0 1.0 assign (resid 166 and name HA )(resid 167 and name HN ) 1.8 0.0 1.0 assign (resid 167 and name HA )(resid 168 and name HN ) 1.8 0.0 1.7 assign (resid 168 and name HA )(resid 169 and name HN ) 1.8 0.0 1.7 assign (resid 169 and name HA )(resid 170 and name HN ) 1.8 0.0 1.7 remarks aiNi+2 assign (resid 36 and name HA )(resid 38 and name HN ) 1.8 0.0 3.2 assign (resid 55 and name HA )(resid 57 and name HN ) 1.8 0.0 3.2 assign (resid 63 and name HA )(resid 65 and name HN ) 1.8 0.0 3.2 assign (resid 87 and name HA )(resid 89 and name HN ) 1.8 0.0 3.2 assign (resid 89 and name HA )(resid 91 and name HN ) 1.8 0.0 3.2 assign (resid 93 and name HA )(resid 95 and name HN ) 1.8 0.0 3.2 assign (resid 122 and name HA )(resid 124 and name HN ) 1.8 0.0 3.2 assign (resid 160 and name HA1 )(resid 162 and name HN ) 1.8 0.0 3.2 assign (resid 160 and name HA2 )(resid 162 and name HN ) 1.8 0.0 3.2 remarks aiNi+3 assign (resid 32 and name HA )(resid 35 and name HN ) 1.8 0.0 3.2 assign (resid 34 and name HA )(resid 37 and name HN ) 1.8 0.0 3.2 assign (resid 76 and name HA )(resid 79 and name HN ) 1.8 0.0 3.2 assign (resid 78 and name HA )(resid 81 and name HN ) 1.8 0.0 3.2 assign (resid 79 and name HA )(resid 82 and name HN ) 1.8 0.0 3.2 assign (resid 80 and name HA )(resid 83 and name HN ) 1.8 0.0 3.2 assign (resid 88 and name HA )(resid 91 and name HN ) 1.8 0.0 3.2 assign (resid 102 and name HA )(resid 105 and name HN ) 1.8 0.0 3.2 assign (resid 103 and name HA )(resid 106 and name HN ) 1.8 0.0 3.2 assign (resid 105 and name HA )(resid 108 and name HN ) 1.8 0.0 3.2 remarks aiNi+4 assign (resid 79 and name HA )(resid 83 and name HN ) 1.8 0.0 3.2 assign (resid 80 and name HA )(resid 84 and name HN ) 1.8 0.0 2.2 remarks biNi+1 assign (resid 26 and name HB1 )(resid 27 and name HN ) 1.8 0.0 3.2 assign (resid 26 and name HB2 )(resid 27 and name HN ) 1.8 0.0 3.2 assign (resid 28 and name HB# )(resid 29 and name HN ) 1.8 0.0 3.2 assign (resid 29 and name HB1 )(resid 30 and name HN ) 1.8 0.0 3.2 assign (resid 29 and name HB2 )(resid 30 and name HN ) 1.8 0.0 3.2 assign (resid 34 and name HB# )(resid 35 and name HN ) 1.8 0.0 3.2 assign (resid 35 and name HB# )(resid 36 and name HN ) 1.8 0.0 3.2 assign (resid 36 and name HB# )(resid 37 and name HN ) 1.8 0.0 3.2 assign (resid 37 and name HB# )(resid 38 and name HN ) 1.8 0.0 3.2 assign (resid 38 and name HB )(resid 39 and name HN ) 1.8 0.0 3.2 assign (resid 39 and name HB1 )(resid 40 and name HN ) 1.8 0.0 3.2 assign (resid 39 and name HB2 )(resid 40 and name HN ) 1.8 0.0 3.2 assign (resid 40 and name HB1 )(resid 41 and name HN ) 1.8 0.0 3.2 assign (resid 40 and name HB2 )(resid 41 and name HN ) 1.8 0.0 3.2 assign (resid 41 and name HB )(resid 42 and name HN ) 1.8 0.0 3.2 assign (resid 45 and name HB )(resid 46 and name HN ) 1.8 0.0 3.2 assign (resid 46 and name HB )(resid 47 and name HN ) 1.8 0.0 3.2 assign (resid 47 and name HB1 )(resid 48 and name HN ) 1.8 0.0 3.2 assign (resid 47 and name HB2 )(resid 48 and name HN ) 1.8 0.0 3.2 assign (resid 50 and name HB# )(resid 51 and name HN ) 1.8 0.0 3.2 assign (resid 51 and name HB1 )(resid 52 and name HN ) 1.8 0.0 3.2 assign (resid 51 and name HB2 )(resid 52 and name HN ) 1.8 0.0 3.2 assign (resid 52 and name HB1 )(resid 53 and name HN ) 1.8 0.0 3.2 assign (resid 52 and name HB2 )(resid 53 and name HN ) 1.8 0.0 3.2 assign (resid 53 and name HB )(resid 54 and name HN ) 1.8 0.0 3.2 assign (resid 54 and name HB1 )(resid 55 and name HN ) 1.8 0.0 3.2 assign (resid 54 and name HB2 )(resid 55 and name HN ) 1.8 0.0 3.2 assign (resid 55 and name HB# )(resid 56 and name HN ) 1.8 0.0 3.2 assign (resid 58 and name HB# )(resid 59 and name HN ) 1.8 0.0 3.2 assign (resid 59 and name HB )(resid 60 and name HN ) 1.8 0.0 3.2 assign (resid 61 and name HB# )(resid 62 and name HN ) 1.8 0.0 2.7 assign (resid 63 and name HB )(resid 64 and name HN ) 1.8 0.0 3.2 assign (resid 65 and name HB )(resid 66 and name HN ) 1.8 0.0 3.2 assign (resid 66 and name HB1 )(resid 67 and name HN ) 1.8 0.0 3.2 assign (resid 66 and name HB2 )(resid 67 and name HN ) 1.8 0.0 3.2 assign (resid 67 and name HB )(resid 68 and name HN ) 1.8 0.0 3.2 assign (resid 68 and name HB# )(resid 69 and name HN ) 1.8 0.0 3.2 assign (resid 71 and name HB1 )(resid 72 and name HN ) 1.8 0.0 3.2 assign (resid 71 and name HB2 )(resid 72 and name HN ) 1.8 0.0 3.2 assign (resid 72 and name HB# )(resid 73 and name HN ) 1.8 0.0 2.2 assign (resid 76 and name HB# )(resid 77 and name HN ) 1.8 0.0 3.2 assign (resid 77 and name HB1 )(resid 78 and name HN ) 1.8 0.0 3.2 assign (resid 77 and name HB2 )(resid 78 and name HN ) 1.8 0.0 3.2 assign (resid 78 and name HB# )(resid 79 and name HN ) 1.8 0.0 3.2 assign (resid 79 and name HB1 )(resid 80 and name HN ) 1.8 0.0 3.2 assign (resid 79 and name HB2 )(resid 80 and name HN ) 1.8 0.0 3.2 assign (resid 81 and name HB# )(resid 82 and name HN ) 1.8 0.0 3.2 assign (resid 82 and name HB1 )(resid 83 and name HN ) 1.8 0.0 3.2 assign (resid 82 and name HB2 )(resid 83 and name HN ) 1.8 0.0 3.2 assign (resid 86 and name HB1 )(resid 87 and name HN ) 1.8 0.0 3.2 assign (resid 86 and name HB2 )(resid 87 and name HN ) 1.8 0.0 3.2 assign (resid 87 and name HB1 )(resid 88 and name HN ) 1.8 0.0 3.2 assign (resid 87 and name HB2 )(resid 88 and name HN ) 1.8 0.0 3.2 assign (resid 88 and name HB# )(resid 89 and name HN ) 1.8 0.0 3.2 assign (resid 89 and name HB# )(resid 90 and name HN ) 1.8 0.0 3.2 assign (resid 90 and name HB# )(resid 91 and name HN ) 1.8 0.0 3.2 assign (resid 91 and name HB# )(resid 92 and name HN ) 1.8 0.0 3.2 assign (resid 93 and name HB1 )(resid 94 and name HN ) 1.8 0.0 3.2 assign (resid 93 and name HB2 )(resid 94 and name HN ) 1.8 0.0 3.2 assign (resid 94 and name HB1 )(resid 95 and name HN ) 1.8 0.0 3.2 assign (resid 94 and name HB2 )(resid 95 and name HN ) 1.8 0.0 3.2 assign (resid 98 and name HB# )(resid 99 and name HN ) 1.8 0.0 3.2 assign (resid 99 and name HB )(resid 100 and name HN ) 1.8 0.0 3.2 assign (resid 100 and name HB1 )(resid 101 and name HN ) 1.8 0.0 3.2 assign (resid 100 and name HB2 )(resid 101 and name HN ) 1.8 0.0 3.2 assign (resid 102 and name HB# )(resid 103 and name HN ) 1.8 0.0 3.2 assign (resid 103 and name HB# )(resid 104 and name HN ) 1.8 0.0 3.2 assign (resid 104 and name HB# )(resid 105 and name HN ) 1.8 0.0 3.2 assign (resid 105 and name HB# )(resid 106 and name HN ) 1.8 0.0 3.2 assign (resid 106 and name HB )(resid 107 and name HN ) 1.8 0.0 3.2 assign (resid 107 and name HB1 )(resid 108 and name HN ) 1.8 0.0 3.2 assign (resid 107 and name HB2 )(resid 108 and name HN ) 1.8 0.0 3.2 assign (resid 108 and name HB )(resid 109 and name HN ) 1.8 0.0 3.2 assign (resid 109 and name HB# )(resid 110 and name HN ) 1.8 0.0 3.2 assign (resid 110 and name HB# )(resid 111 and name HN ) 1.8 0.0 2.7 assign (resid 111 and name HB# )(resid 112 and name HN ) 1.8 0.0 3.2 assign (resid 113 and name HB )(resid 114 and name HN ) 1.8 0.0 3.2 assign (resid 114 and name HB1 )(resid 115 and name HN ) 1.8 0.0 1.7 assign (resid 114 and name HB2 )(resid 115 and name HN ) 1.8 0.0 1.7 assign (resid 115 and name HB# )(resid 116 and name HN ) 1.8 0.0 3.2 assign (resid 118 and name HB1 )(resid 119 and name HN ) 1.8 0.0 3.2 assign (resid 118 and name HB2 )(resid 119 and name HN ) 1.8 0.0 3.2 assign (resid 119 and name HB1 )(resid 120 and name HN ) 1.8 0.0 3.2 assign (resid 119 and name HB2 )(resid 120 and name HN ) 1.8 0.0 3.2 assign (resid 120 and name HB1 )(resid 121 and name HN ) 1.8 0.0 3.2 assign (resid 120 and name HB2 )(resid 121 and name HN ) 1.8 0.0 3.2 assign (resid 121 and name HB1 )(resid 122 and name HN ) 1.8 0.0 3.2 assign (resid 121 and name HB2 )(resid 122 and name HN ) 1.8 0.0 3.2 assign (resid 122 and name HB1 )(resid 123 and name HN ) 1.8 0.0 3.2 assign (resid 122 and name HB2 )(resid 123 and name HN ) 1.8 0.0 3.2 assign (resid 123 and name HB# )(resid 124 and name HN ) 1.8 0.0 3.2 assign (resid 126 and name HB1 )(resid 127 and name HN ) 1.8 0.0 3.2 assign (resid 126 and name HB2 )(resid 127 and name HN ) 1.8 0.0 3.2 assign (resid 128 and name HB )(resid 129 and name HN ) 1.8 0.0 3.2 assign (resid 129 and name HB1 )(resid 130 and name HN ) 1.8 0.0 3.2 assign (resid 129 and name HB2 )(resid 130 and name HN ) 1.8 0.0 3.2 assign (resid 130 and name HB# )(resid 131 and name HN ) 1.8 0.0 3.2 assign (resid 131 and name HB )(resid 132 and name HN ) 1.8 0.0 3.2 assign (resid 132 and name HB# )(resid 133 and name HN ) 1.8 0.0 3.2 assign (resid 133 and name HB1 )(resid 134 and name HN ) 1.8 0.0 3.2 assign (resid 133 and name HB2 )(resid 134 and name HN ) 1.8 0.0 3.2 assign (resid 134 and name HB# )(resid 135 and name HN ) 1.8 0.0 3.2 assign (resid 136 and name HB )(resid 137 and name HN ) 1.8 0.0 2.2 assign (resid 137 and name HB1 )(resid 138 and name HN ) 1.8 0.0 3.2 assign (resid 137 and name HB2 )(resid 138 and name HN ) 1.8 0.0 3.2 assign (resid 138 and name HB# )(resid 139 and name HN ) 1.8 0.0 3.2 assign (resid 139 and name HB# )(resid 140 and name HN ) 1.8 0.0 3.2 assign (resid 140 and name HB# )(resid 141 and name HN ) 1.8 0.0 3.2 assign (resid 141 and name HB# )(resid 142 and name HN ) 1.8 0.0 3.2 assign (resid 142 and name HB1 )(resid 143 and name HN ) 1.8 0.0 3.2 assign (resid 142 and name HB2 )(resid 143 and name HN ) 1.8 0.0 3.2 assign (resid 144 and name HB# )(resid 145 and name HN ) 1.8 0.0 3.2 assign (resid 145 and name HB )(resid 146 and name HN ) 1.8 0.0 3.2 assign (resid 146 and name HB )(resid 147 and name HN ) 1.8 0.0 3.2 assign (resid 147 and name HB )(resid 148 and name HN ) 1.8 0.0 3.2 assign (resid 148 and name HB1 )(resid 149 and name HN ) 1.8 0.0 3.2 assign (resid 148 and name HB2 )(resid 149 and name HN ) 1.8 0.0 3.2 assign (resid 151 and name HB )(resid 152 and name HN ) 1.8 0.0 3.2 assign (resid 152 and name HB )(resid 153 and name HN ) 1.8 0.0 3.2 assign (resid 154 and name HB# )(resid 155 and name HN ) 1.8 0.0 3.2 assign (resid 155 and name HB1 )(resid 156 and name HN ) 1.8 0.0 3.2 assign (resid 155 and name HB2 )(resid 156 and name HN ) 1.8 0.0 3.2 assign (resid 156 and name HB )(resid 157 and name HN ) 1.8 0.0 3.2 assign (resid 159 and name HB# )(resid 160 and name HN ) 1.8 0.0 3.2 assign (resid 161 and name HB# )(resid 162 and name HN ) 1.8 0.0 3.2 assign (resid 163 and name HB1 )(resid 164 and name HN ) 1.8 0.0 3.2 assign (resid 163 and name HB2 )(resid 164 and name HN ) 1.8 0.0 3.2 assign (resid 164 and name HB# )(resid 165 and name HN ) 1.8 0.0 3.2 assign (resid 165 and name HB# )(resid 166 and name HN ) 1.8 0.0 3.2 assign (resid 166 and name HB )(resid 167 and name HN ) 1.8 0.0 3.2 assign (resid 167 and name HB1 )(resid 168 and name HN ) 1.8 0.0 3.2 assign (resid 167 and name HB2 )(resid 168 and name HN ) 1.8 0.0 3.2 assign (resid 168 and name HB# )(resid 169 and name HN ) 1.8 0.0 3.2 assign (resid 169 and name HB )(resid 170 and name HN ) 1.8 0.0 3.2 remarks (gde)i-Ni+1 assign (resid 34 and name HG# )(resid 35 and name HN ) 1.8 0.0 3.2 assign (resid 38 and name HG2# )(resid 39 and name HN ) 1.8 0.0 3.2 assign (resid 39 and name HG1 )(resid 40 and name HN ) 1.8 0.0 3.2 assign (resid 39 and name HG2 )(resid 40 and name HN ) 1.8 0.0 3.2 assign (resid 40 and name HG# )(resid 41 and name HN ) 1.8 0.0 3.2 assign (resid 41 and name HG# )(resid 42 and name HN ) 1.8 0.0 3.2 assign (resid 45 and name HG# )(resid 46 and name HN ) 1.8 0.0 3.2 assign (resid 46 and name HG1# )(resid 47 and name HN ) 1.8 0.0 3.2 assign (resid 46 and name HG2# )(resid 47 and name HN ) 1.8 0.0 3.2 assign (resid 47 and name HD2# )(resid 48 and name HN ) 1.8 0.0 3.2 assign (resid 50 and name HD1# )(resid 51 and name HN ) 1.8 0.0 3.2 assign (resid 50 and name HG )(resid 51 and name HN ) 1.8 0.0 3.2 assign (resid 51 and name HD# )(resid 52 and name HN ) 1.8 0.0 3.2 assign (resid 52 and name HD2# )(resid 53 and name HN ) 1.8 0.0 3.2 assign (resid 53 and name HG2# )(resid 54 and name HN ) 1.8 0.0 3.2 assign (resid 59 and name HG2# )(resid 60 and name HN ) 1.8 0.0 3.2 assign (resid 60 and name HG# )(resid 61 and name HN ) 1.8 0.0 3.2 assign (resid 63 and name HG2# )(resid 64 and name HN ) 1.8 0.0 3.2 assign (resid 65 and name HG2# )(resid 66 and name HN ) 1.8 0.0 3.2 assign (resid 66 and name HG# )(resid 67 and name HN ) 1.8 0.0 3.2 assign (resid 67 and name HG1# )(resid 68 and name HN ) 1.8 0.0 3.2 assign (resid 67 and name HG2# )(resid 68 and name HN ) 1.8 0.0 3.2 assign (resid 69 and name HD1# )(resid 70 and name HN ) 1.8 0.0 3.2 assign (resid 69 and name HG )(resid 70 and name HN ) 1.8 0.0 3.2 assign (resid 82 and name HG# )(resid 83 and name HN ) 1.8 0.0 3.2 assign (resid 86 and name HD1# )(resid 87 and name HN ) 1.8 0.0 3.2 assign (resid 86 and name HG )(resid 87 and name HN ) 1.8 0.0 3.2 assign (resid 93 and name HD# )(resid 94 and name HN ) 1.8 0.0 3.2 assign (resid 95 and name HG1# )(resid 96 and name HN ) 1.8 0.0 3.2 assign (resid 95 and name HG2# )(resid 96 and name HN ) 1.8 0.0 3.2 assign (resid 99 and name HG# )(resid 100 and name HN ) 1.8 0.0 3.2 assign (resid 100 and name HD2# )(resid 101 and name HN ) 1.8 0.0 3.2 assign (resid 102 and name HD1 )(resid 103 and name HN ) 1.8 0.0 3.2 assign (resid 102 and name HD2 )(resid 103 and name HN ) 1.8 0.0 3.2 assign (resid 102 and name HG# )(resid 103 and name HN ) 1.8 0.0 3.2 assign (resid 104 and name HG# )(resid 105 and name HN ) 1.8 0.0 3.2 assign (resid 106 and name HG2# )(resid 107 and name HN ) 1.8 0.0 3.2 assign (resid 108 and name HG1# )(resid 109 and name HN ) 1.8 0.0 3.2 assign (resid 109 and name HG# )(resid 110 and name HN ) 1.8 0.0 3.2 assign (resid 110 and name HG# )(resid 111 and name HN ) 1.8 0.0 3.2 assign (resid 112 and name HG2# )(resid 113 and name HN ) 1.8 0.0 3.2 assign (resid 113 and name HG1 )(resid 114 and name HN ) 1.8 0.0 3.2 assign (resid 113 and name HG2# )(resid 114 and name HN ) 1.8 0.0 3.2 assign (resid 115 and name HG# )(resid 116 and name HN ) 1.8 0.0 3.2 assign (resid 118 and name HD1 )(resid 119 and name HN ) 1.8 0.0 3.2 assign (resid 118 and name HD2 )(resid 119 and name HN ) 1.8 0.0 3.2 assign (resid 125 and name HG# )(resid 126 and name HN ) 1.8 0.0 3.2 assign (resid 128 and name HG2# )(resid 129 and name HN ) 1.8 0.0 3.2 assign (resid 131 and name HG2# )(resid 132 and name HN ) 1.8 0.0 3.2 assign (resid 134 and name HG# )(resid 135 and name HN ) 1.8 0.0 3.2 assign (resid 135 and name HD1# )(resid 136 and name HN ) 1.8 0.0 3.2 assign (resid 135 and name HG )(resid 136 and name HN ) 1.8 0.0 3.2 assign (resid 136 and name HG2# )(resid 137 and name HN ) 1.8 0.0 3.2 assign (resid 137 and name HD1 )(resid 138 and name HN ) 1.8 0.0 3.2 assign (resid 140 and name HG# )(resid 141 and name HN ) 1.8 0.0 3.2 assign (resid 144 and name HG# )(resid 145 and name HN ) 1.8 0.0 3.2 assign (resid 145 and name HG2# )(resid 146 and name HN ) 1.8 0.0 3.2 assign (resid 146 and name HG11 )(resid 147 and name HN ) 1.8 0.0 3.2 assign (resid 146 and name HG12 )(resid 147 and name HN ) 1.8 0.0 3.2 assign (resid 146 and name HG2# )(resid 147 and name HN ) 1.8 0.0 3.2 assign (resid 147 and name HG2# )(resid 148 and name HN ) 1.8 0.0 3.2 assign (resid 148 and name HG# )(resid 149 and name HN ) 1.8 0.0 3.2 assign (resid 151 and name HG2# )(resid 152 and name HN ) 1.8 0.0 3.2 assign (resid 152 and name HG2# )(resid 153 and name HN ) 1.8 0.0 3.2 assign (resid 153 and name HG2# )(resid 154 and name HN ) 1.8 0.0 3.2 assign (resid 154 and name HG# )(resid 155 and name HN ) 1.8 0.0 3.2 assign (resid 155 and name HD1# )(resid 156 and name HN ) 1.8 0.0 3.2 assign (resid 155 and name HG )(resid 156 and name HN ) 1.8 0.0 3.2 assign (resid 156 and name HG# )(resid 157 and name HN ) 1.8 0.0 3.2 assign (resid 157 and name HG2# )(resid 158 and name HN ) 1.8 0.0 3.2 assign (resid 158 and name HG1# )(resid 159 and name HN ) 1.8 0.0 3.2 assign (resid 158 and name HG2# )(resid 159 and name HN ) 1.8 0.0 3.2 assign (resid 164 and name HG# )(resid 165 and name HN ) 1.8 0.0 3.2 assign (resid 165 and name HD# )(resid 166 and name HN ) 1.8 0.0 3.2 assign (resid 165 and name HG# )(resid 166 and name HN ) 1.8 0.0 3.2 assign (resid 166 and name HG1# )(resid 167 and name HN ) 1.8 0.0 3.2 assign (resid 167 and name HD2# )(resid 168 and name HN ) 1.8 0.0 3.2 assign (resid 168 and name HD1# )(resid 169 and name HN ) 1.8 0.0 3.2 assign (resid 169 and name HG2# )(resid 170 and name HN ) 1.8 0.0 3.2 remarks (bgde)iNi-1 assign (resid 27 and name HN )(resid 28 and name HD# ) 1.8 0.0 3.2 assign (resid 30 and name HN )(resid 31 and name HD# ) 1.8 0.0 3.2 assign (resid 35 and name HN )(resid 36 and name HB# ) 1.8 0.0 3.2 assign (resid 40 and name HN )(resid 41 and name HG# ) 1.8 0.0 3.2 assign (resid 57 and name HN )(resid 58 and name HB# ) 1.8 0.0 3.2 assign (resid 88 and name HN )(resid 89 and name HB# ) 1.8 0.0 3.2 assign (resid 90 and name HN )(resid 91 and name HB# ) 1.8 0.0 3.2 assign (resid 92 and name HN )(resid 93 and name HD# ) 1.8 0.0 3.2 assign (resid 94 and name HN )(resid 95 and name HG2# ) 1.8 0.0 3.2 assign (resid 104 and name HN )(resid 105 and name HB# ) 1.8 0.0 3.2 assign (resid 124 and name HN )(resid 125 and name HD# ) 1.8 0.0 3.2 assign (resid 135 and name HN )(resid 136 and name HG2# ) 1.8 0.0 3.2 assign (resid 161 and name HN )(resid 162 and name HB# ) 1.8 0.0 3.2 assign (resid 161 and name HN )(resid 162 and name HG# ) 1.8 0.0 3.2 remarks biNi+2 assign (resid 54 and name HB# )(resid 56 and name HN ) 1.8 0.0 3.2 assign (resid 87 and name HB1 )(resid 89 and name HN ) 1.8 0.0 3.2 assign (resid 87 and name HB2 )(resid 89 and name HN ) 1.8 0.0 3.2 assign (resid 89 and name HB# )(resid 91 and name HN ) 1.8 0.0 3.2 remarks (gde)i-Ni+2 assign (resid 59 and name HG2# )(resid 61 and name HN ) 1.8 0.0 3.2 assign (resid 65 and name HG2# )(resid 67 and name HN ) 1.8 0.0 3.2 assign (resid 155 and name HD1# )(resid 157 and name HN ) 1.8 0.0 3.2 assign (resid 158 and name HG2# )(resid 160 and name HN ) 1.8 0.0 3.2 assign (resid 166 and name HG1# )(resid 168 and name HN ) 1.8 0.0 3.2 remarks biNi+3 assign (resid 54 and name HB# )(resid 57 and name HN ) 1.8 0.0 3.2 assign (resid 87 and name HB1 )(resid 90 and name HN ) 1.8 0.0 3.2 assign (resid 87 and name HB2 )(resid 90 and name HN ) 1.8 0.0 3.2 assign (resid 92 and name HB# )(resid 95 and name HN ) 1.8 0.0 3.2 remarks (gde)i-Ni+3 assign (resid 86 and name HD2# )(resid 89 and name HN ) 1.8 0.0 3.2 remarks biNi+4 assign (resid 53 and name HB )(resid 57 and name HN ) 1.8 0.0 3.2 assign (resid 54 and name HB# )(resid 58 and name HN ) 1.8 0.0 3.2 remarks (gde)i-Ni+4 assign (resid 86 and name HD1# )(resid 90 and name HN ) 1.8 0.0 3.2 remarks ai-bi+3 assign (resid 34 and name HA )(resid 37 and name HB# ) 1.8 0.0 3.2 assign (resid 76 and name HA )(resid 79 and name HB# ) 1.8 0.0 3.2 assign (resid 78 and name HA )(resid 81 and name HB# ) 1.8 0.0 3.2 assign (resid 79 and name HA )(resid 82 and name HB1 ) 1.8 0.0 3.2 assign (resid 79 and name HA )(resid 82 and name HB2 ) 1.8 0.0 3.2 assign (resid 88 and name HA )(resid 91 and name HB1 ) 1.8 0.0 3.2 assign (resid 88 and name HA )(resid 91 and name HB2 ) 1.8 0.0 3.2 assign (resid 102 and name HA )(resid 105 and name HB# ) 1.8 0.0 3.2 assign (resid 105 and name HA )(resid 108 and name HB ) 1.8 0.0 3.2 remarks ai-(gde)i+3 assign (resid 32 and name HA )(resid 35 and name HD# ) 1.8 0.0 3.2 assign (resid 32 and name HA )(resid 35 and name HE# ) 1.8 0.0 3.2 assign (resid 35 and name HA )(resid 38 and name HG2# ) 1.8 0.0 3.2 assign (resid 83 and name HA )(resid 86 and name HD1# ) 1.8 0.0 3.2 assign (resid 83 and name HA )(resid 86 and name HD2# ) 1.8 0.0 3.2 assign (resid 88 and name HA )(resid 91 and name HD# ) 1.8 0.0 3.2 assign (resid 104 and name HA )(resid 107 and name HD# ) 1.8 0.0 3.2 assign (resid 105 and name HA )(resid 108 and name HG2# ) 1.8 0.0 3.2 assign (resid 121 and name HA )(resid 124 and name HD1# ) 1.8 0.0 3.2 remarks med and long range Ni-Ni+n (n>2) assign (resid 46 and name HN )(resid 121 and name HN ) 1.8 0.0 3.2 assign (resid 47 and name HN )(resid 164 and name HN ) 1.8 0.0 3.2 assign (resid 48 and name HN )(resid 119 and name HN ) 1.8 0.0 1.7 assign (resid 49 and name HN )(resid 168 and name HN ) 1.8 0.0 3.2 assign (resid 52 and name HN )(resid 60 and name HN ) 1.8 0.0 3.2 assign (resid 54 and name HN )(resid 58 and name HN ) 1.8 0.0 3.2 assign (resid 65 and name HN )(resid 113 and name HN ) 1.8 0.0 1.7 assign (resid 67 and name HN )(resid 111 and name HN ) 1.8 0.0 3.2 assign (resid 68 and name HN )(resid 132 and name HN ) 1.8 0.0 1.7 assign (resid 69 and name HN )(resid 109 and name HN ) 1.8 0.0 3.2 assign (resid 70 and name HN )(resid 130 and name HN ) 1.8 0.0 3.2 assign (resid 72 and name HN )(resid 130 and name HN ) 1.8 0.0 3.2 assign (resid 86 and name HN )(resid 151 and name HN ) 1.8 0.0 3.2 assign (resid 88 and name HN )(resid 151 and name HN ) 1.8 0.0 3.2 assign (resid 114 and name HN )(resid 117 and name HN ) 1.8 0.0 3.2 assign (resid 114 and name HN )(resid 118 and name HN ) 1.8 0.0 3.2 assign (resid 127 and name HN )(resid 158 and name HN ) 1.8 0.0 2.2 assign (resid 129 and name HN )(resid 156 and name HN ) 1.8 0.0 1.7 assign (resid 131 and name HN )(resid 154 and name HN ) 1.8 0.0 1.7 assign (resid 133 and name HN )(resid 152 and name HN ) 1.8 0.0 3.2 assign (resid 135 and name HN )(resid 150 and name HN ) 1.8 0.0 3.2 assign (resid 137 and name HN )(resid 148 and name HN ) 1.8 0.0 3.2 assign (resid 139 and name HN )(resid 146 and name HN ) 1.8 0.0 3.2 assign (resid 139 and name HN )(resid 148 and name HN ) 1.8 0.0 3.2 assign (resid 141 and name HN )(resid 144 and name HN ) 1.8 0.0 1.7 remarks long range a-N, aiNi+n (n>4) assign (resid 42 and name HA# )(resid 126 and name HN ) 1.8 0.0 3.2 assign (resid 42 and name HA1 )(resid 124 and name HN ) 1.8 0.0 3.2 assign (resid 42 and name HA2 )(resid 124 and name HN ) 1.8 0.0 3.2 assign (resid 43 and name HA# )(resid 123 and name HN ) 1.8 0.0 3.2 assign (resid 43 and name HA1 )(resid 124 and name HN ) 1.8 0.0 3.2 assign (resid 43 and name HA2 )(resid 124 and name HN ) 1.8 0.0 3.2 assign (resid 44 and name HA# )(resid 124 and name HN ) 1.8 0.0 3.2 assign (resid 45 and name HA )(resid 123 and name HN ) 1.8 0.0 3.2 assign (resid 46 and name HA )(resid 164 and name HN ) 1.8 0.0 3.2 assign (resid 47 and name HA )(resid 121 and name HN ) 1.8 0.0 3.2 assign (resid 48 and name HA1 )(resid 166 and name HN ) 1.8 0.0 3.2 assign (resid 48 and name HA2 )(resid 166 and name HN ) 1.8 0.0 3.2 assign (resid 49 and name HA )(resid 119 and name HN ) 1.8 0.0 3.2 assign (resid 50 and name HA )(resid 168 and name HN ) 1.8 0.0 3.2 assign (resid 52 and name HA )(resid 170 and name HN ) 1.8 0.0 3.2 assign (resid 53 and name HA )(resid 60 and name HN ) 1.8 0.0 3.2 assign (resid 64 and name HA )(resid 113 and name HN ) 1.8 0.0 3.2 assign (resid 68 and name HA )(resid 111 and name HN ) 1.8 0.0 3.2 assign (resid 69 and name HA )(resid 132 and name HN ) 1.8 0.0 3.2 assign (resid 71 and name HA )(resid 130 and name HN ) 1.8 0.0 3.2 assign (resid 85 and name HA )(resid 152 and name HN ) 1.8 0.0 3.2 assign (resid 85 and name HA )(resid 153 and name HN ) 1.8 0.0 3.2 assign (resid 87 and name HA )(resid 151 and name HN ) 1.8 0.0 3.2 assign (resid 128 and name HA )(resid 158 and name HN ) 1.8 0.0 3.2 assign (resid 130 and name HA )(resid 156 and name HN ) 1.8 0.0 3.2 assign (resid 132 and name HA )(resid 154 and name HN ) 1.8 0.0 3.2 assign (resid 134 and name HA )(resid 152 and name HN ) 1.8 0.0 3.2 assign (resid 136 and name HA )(resid 150 and name HN ) 1.8 0.0 3.2 assign (resid 138 and name HA )(resid 148 and name HN ) 1.8 0.0 3.2 assign (resid 140 and name HA )(resid 146 and name HN ) 1.8 0.0 3.2 remarks med and long range a-N, aiNi-n (n>1) assign (resid 45 and name HN )(resid 161 and name HA ) 1.8 0.0 3.2 assign (resid 45 and name HN )(resid 163 and name HA ) 1.8 0.0 3.2 assign (resid 46 and name HN )(resid 122 and name HA ) 1.8 0.0 3.2 assign (resid 47 and name HN )(resid 165 and name HA ) 1.8 0.0 3.2 assign (resid 48 and name HN )(resid 120 and name HA ) 1.8 0.0 3.2 assign (resid 49 and name HN )(resid 167 and name HA ) 1.8 0.0 1.0 assign (resid 50 and name HN )(resid 118 and name HA ) 1.8 0.0 3.2 assign (resid 51 and name HN )(resid 169 and name HA ) 1.8 0.0 3.2 assign (resid 52 and name HN )(resid 61 and name HA ) 1.8 0.0 3.2 assign (resid 54 and name HN )(resid 59 and name HA ) 1.8 0.0 3.2 assign (resid 64 and name HN )(resid 115 and name HA ) 1.8 0.0 3.2 assign (resid 65 and name HN )(resid 112 and name HA ) 1.8 0.0 3.2 assign (resid 67 and name HN )(resid 112 and name HA ) 1.8 0.0 3.2 assign (resid 69 and name HN )(resid 110 and name HA ) 1.8 0.0 3.2 assign (resid 70 and name HN )(resid 131 and name HA ) 1.8 0.0 3.2 assign (resid 72 and name HN )(resid 129 and name HA ) 1.8 0.0 1.7 assign (resid 88 and name HN )(resid 150 and name HA1 ) 1.8 0.0 3.2 assign (resid 88 and name HN )(resid 150 and name HA2 ) 1.8 0.0 3.2 assign (resid 114 and name HN )(resid 117 and name HA# ) 1.8 0.0 3.2 assign (resid 133 and name HN )(resid 153 and name HA ) 1.8 0.0 3.2 assign (resid 135 and name HN )(resid 151 and name HA ) 1.8 0.0 3.2 assign (resid 137 and name HN )(resid 149 and name HA1 ) 1.8 0.0 3.2 assign (resid 137 and name HN )(resid 149 and name HA2 ) 1.8 0.0 3.2 assign (resid 139 and name HN )(resid 147 and name HA ) 1.8 0.0 3.2 assign (resid 141 and name HN )(resid 145 and name HA ) 1.8 0.0 1.7 remarks med and long range a-a assign (resid 42 and name HA# )(resid 125 and name HA ) 1.8 0.0 2.7 assign (resid 43 and name HA1 )(resid 123 and name HA ) 1.8 0.0 3.2 assign (resid 43 and name HA2 )(resid 123 and name HA ) 1.8 0.0 3.2 assign (resid 45 and name HA )(resid 122 and name HA ) 1.8 0.0 1.7 assign (resid 47 and name HA )(resid 120 and name HA ) 1.8 0.0 1.7 assign (resid 49 and name HA )(resid 118 and name HA ) 1.8 0.0 1.7 assign (resid 51 and name HA )(resid 61 and name HA ) 1.8 0.0 1.7 assign (resid 53 and name HA )(resid 59 and name HA ) 1.8 0.0 1.7 assign (resid 67 and name HA )(resid 133 and name HA ) 1.8 0.0 3.2 assign (resid 68 and name HA )(resid 110 and name HA ) 1.8 0.0 3.2 assign (resid 69 and name HA )(resid 131 and name HA ) 1.8 0.0 3.2 assign (resid 70 and name HA )(resid 108 and name HA ) 1.8 0.0 3.2 assign (resid 71 and name HA )(resid 129 and name HA ) 1.8 0.0 3.2 assign (resid 85 and name HA )(resid 152 and name HA ) 1.8 0.0 3.2 assign (resid 87 and name HA )(resid 150 and name HA# ) 1.8 0.0 3.2 assign (resid 128 and name HA )(resid 157 and name HA ) 1.8 0.0 1.7 assign (resid 130 and name HA )(resid 155 and name HA ) 1.8 0.0 3.2 assign (resid 132 and name HA )(resid 153 and name HA ) 1.8 0.0 3.2 assign (resid 134 and name HA )(resid 151 and name HA ) 1.8 0.0 1.7 assign (resid 136 and name HA )(resid 149 and name HA1 ) 1.8 0.0 3.2 assign (resid 136 and name HA )(resid 149 and name HA2 ) 1.8 0.0 3.2 assign (resid 138 and name HA )(resid 147 and name HA ) 1.8 0.0 1.7 assign (resid 140 and name HA )(resid 145 and name HA ) 1.8 0.0 2.2 remarks long side chain to NH, (bgdez)iNi+n, n>4 assign (resid 27 and name HD2# )(resid 79 and name HN ) 1.8 0.0 3.2 assign (resid 45 and name HB )(resid 164 and name HN ) 1.8 0.0 3.2 assign (resid 45 and name HG# )(resid 123 and name HN ) 1.8 0.0 3.2 assign (resid 45 and name HG# )(resid 164 and name HN ) 1.8 0.0 3.2 assign (resid 46 and name HB )(resid 121 and name HN ) 1.8 0.0 3.2 assign (resid 46 and name HG2# )(resid 121 and name HN ) 1.8 0.0 3.2 assign (resid 50 and name HD1# )(resid 168 and name HN ) 1.8 0.0 3.2 assign (resid 50 and name HD2# )(resid 62 and name HN ) 1.8 0.0 3.2 assign (resid 52 and name HD1# )(resid 135 and name HN ) 1.8 0.0 3.2 assign (resid 52 and name HD1# )(resid 150 and name HN ) 1.8 0.0 3.2 assign (resid 52 and name HD2# )(resid 170 and name HN ) 1.8 0.0 3.2 assign (resid 53 and name HG2# )(resid 59 and name HN ) 1.8 0.0 3.2 assign (resid 53 and name HG2# )(resid 60 and name HN ) 1.8 0.0 3.2 assign (resid 63 and name HG2# )(resid 117 and name HN ) 1.8 0.0 3.2 assign (resid 65 and name HG2# )(resid 134 and name HN ) 1.8 0.0 3.2 assign (resid 67 and name HB )(resid 111 and name HN ) 1.8 0.0 3.2 assign (resid 67 and name HG1# )(resid 111 and name HN ) 1.8 0.0 3.2 assign (resid 67 and name HG1# )(resid 132 and name HN ) 1.8 0.0 3.2 assign (resid 68 and name HB# )(resid 132 and name HN ) 1.8 0.0 3.2 assign (resid 69 and name HD1# )(resid 130 and name HN ) 1.8 0.0 3.2 assign (resid 70 and name HB# )(resid 130 and name HN ) 1.8 0.0 3.2 assign (resid 72 and name HB# )(resid 130 and name HN ) 1.8 0.0 3.2 assign (resid 85 and name HD# )(resid 153 and name HN ) 1.8 0.0 3.2 assign (resid 86 and name HD1# )(resid 91 and name HN ) 1.8 0.0 3.2 assign (resid 86 and name HD1# )(resid 92 and name HN ) 1.8 0.0 3.2 assign (resid 86 and name HD2# )(resid 92 and name HN ) 1.8 0.0 3.2 assign (resid 111 and name HB# )(resid 120 and name HN ) 1.8 0.0 3.2 assign (resid 113 and name HG2# )(resid 118 and name HN ) 1.8 0.0 3.2 assign (resid 129 and name HE# )(resid 158 and name HN ) 1.8 0.0 3.2 assign (resid 131 and name HG2# )(resid 154 and name HN ) 1.8 0.0 3.2 assign (resid 136 and name HG2# )(resid 150 and name HN ) 1.8 0.0 3.2 assign (resid 138 and name HB# )(resid 148 and name HN ) 1.8 0.0 3.2 assign (resid 139 and name HB# )(resid 146 and name HN ) 1.8 0.0 3.2 assign (resid 152 and name HG2# )(resid 169 and name HN ) 1.8 0.0 3.2 assign (resid 152 and name HG2# )(resid 170 and name HN ) 1.8 0.0 3.2 assign (resid 154 and name HD# )(resid 169 and name HN ) 1.8 0.0 3.2 assign (resid 154 and name HE1 )(resid 169 and name HN ) 1.8 0.0 3.2 assign (resid 154 and name HE2 )(resid 169 and name HN ) 1.8 0.0 3.2 assign (resid 154 and name HG# )(resid 169 and name HN ) 1.8 0.0 3.2 remarks med, long side chain to NH, (bgdez)iNi-n, n>1 assign (resid 42 and name HN )(resid 123 and name HB# ) 1.8 0.0 3.2 assign (resid 44 and name HN )(resid 124 and name HB ) 1.8 0.0 3.2 assign (resid 44 and name HN )(resid 124 and name HG2# ) 1.8 0.0 3.2 assign (resid 46 and name HN )(resid 121 and name HB# ) 1.8 0.0 3.2 assign (resid 46 and name HN )(resid 124 and name HD1# ) 1.8 0.0 3.2 assign (resid 49 and name HN )(resid 167 and name HD2# ) 1.8 0.0 3.2 assign (resid 51 and name HN )(resid 169 and name HB ) 1.8 0.0 3.2 assign (resid 52 and name HN )(resid 135 and name HD2# ) 1.8 0.0 3.2 assign (resid 52 and name HN )(resid 59 and name HG2# ) 1.8 0.0 3.2 assign (resid 53 and name HN )(resid 137 and name HH2 ) 1.8 0.0 3.2 assign (resid 54 and name HN )(resid 58 and name HB# ) 1.8 0.0 3.2 assign (resid 63 and name HN )(resid 135 and name HD1# ) 1.8 0.0 3.2 assign (resid 63 and name HN )(resid 135 and name HD2# ) 1.8 0.0 3.2 assign (resid 63 and name HN )(resid 65 and name HG2# ) 1.8 0.0 3.2 assign (resid 64 and name HN )(resid 112 and name HG2# ) 1.8 0.0 3.2 assign (resid 64 and name HN )(resid 113 and name HG1 ) 1.8 0.0 3.2 assign (resid 65 and name HN )(resid 112 and name HG2# ) 1.8 0.0 3.2 assign (resid 65 and name HN )(resid 113 and name HB ) 1.8 0.0 3.2 assign (resid 65 and name HN )(resid 113 and name HG1 ) 1.8 0.0 3.2 assign (resid 65 and name HN )(resid 113 and name HG2# ) 1.8 0.0 3.2 assign (resid 67 and name HN )(resid 111 and name HB# ) 1.8 0.0 3.2 assign (resid 69 and name HN )(resid 108 and name HG1# ) 1.8 0.0 3.2 assign (resid 70 and name HN )(resid 129 and name HD# ) 1.8 0.0 3.2 assign (resid 72 and name HN )(resid 129 and name HD# ) 1.8 0.0 3.2 assign (resid 73 and name HN )(resid 130 and name HD# ) 1.8 0.0 3.2 assign (resid 73 and name HN )(resid 130 and name HE# ) 1.8 0.0 3.2 assign (resid 73 and name HN )(resid 76 and name HB# ) 1.8 0.0 3.2 assign (resid 73 and name HN )(resid 76 and name HG# ) 1.8 0.0 3.2 assign (resid 104 and name HN )(resid 108 and name HG# ) 1.8 0.0 3.2 assign (resid 122 and name HN )(resid 124 and name HD1# ) 1.8 0.0 3.2 assign (resid 127 and name HN )(resid 158 and name HB ) 1.8 0.0 1.7 assign (resid 127 and name HN )(resid 158 and name HG1# ) 1.8 0.0 3.2 assign (resid 127 and name HN )(resid 158 and name HG2# ) 1.8 0.0 3.2 assign (resid 129 and name HN )(resid 155 and name HD1# ) 1.8 0.0 3.2 assign (resid 129 and name HN )(resid 156 and name HG# ) 1.8 0.0 3.2 assign (resid 131 and name HN )(resid 153 and name HG2# ) 1.8 0.0 3.2 assign (resid 131 and name HN )(resid 156 and name HG2# ) 1.8 0.0 3.2 assign (resid 133 and name HN )(resid 152 and name HG1# ) 1.8 0.0 3.2 assign (resid 135 and name HN )(resid 152 and name HG1# ) 1.8 0.0 3.2 assign (resid 139 and name HN )(resid 145 and name HG2# ) 1.8 0.0 3.2 assign (resid 139 and name HN )(resid 146 and name HG1# ) 1.8 0.0 3.2 assign (resid 139 and name HN )(resid 148 and name HG# ) 1.8 0.0 3.2 assign (resid 141 and name HN )(resid 144 and name HB# ) 1.8 0.0 3.2 assign (resid 154 and name HN )(resid 168 and name HD1# ) 1.8 0.0 3.2 remarks med and long range side chain to alpha, except ai-(bgde)i+3 assign (resid 27 and name HA )(resid 78 and name HB# ) 1.8 0.0 2.2 assign (resid 27 and name HD2# )(resid 79 and name HA ) 1.8 0.0 3.2 assign (resid 28 and name HG# )(resid 75 and name HA ) 1.8 0.0 3.2 assign (resid 35 and name HA )(resid 73 and name HG2# ) 1.8 0.0 3.2 assign (resid 35 and name HE# )(resid 104 and name HA ) 1.8 0.0 3.2 assign (resid 36 and name HA )(resid 107 and name HE# ) 1.8 0.0 3.2 assign (resid 42 and name HA# )(resid 125 and name HG# ) 1.8 0.0 3.2 assign (resid 44 and name HA# )(resid 124 and name HB ) 1.8 0.0 3.2 assign (resid 44 and name HA# )(resid 124 and name HG2# ) 1.8 0.0 3.2 assign (resid 44 and name HA1 )(resid 158 and name HG1# ) 1.8 0.0 3.2 assign (resid 44 and name HA2 )(resid 158 and name HG1# ) 1.8 0.0 3.2 assign (resid 45 and name HA )(resid 122 and name HB1 ) 1.8 0.0 3.2 assign (resid 45 and name HA )(resid 122 and name HB2 ) 1.8 0.0 3.2 assign (resid 45 and name HA )(resid 124 and name HD1# ) 1.8 0.0 3.2 assign (resid 45 and name HB )(resid 163 and name HA ) 1.8 0.0 3.2 assign (resid 45 and name HG1# )(resid 122 and name HA ) 1.8 0.0 3.2 assign (resid 45 and name HG1# )(resid 163 and name HA ) 1.8 0.0 3.2 assign (resid 45 and name HG2# )(resid 122 and name HA ) 1.8 0.0 3.2 assign (resid 46 and name HA )(resid 164 and name HB# ) 1.8 0.0 3.2 assign (resid 46 and name HG2# )(resid 48 and name HA# ) 1.8 0.0 3.2 assign (resid 47 and name HB# )(resid 165 and name HA ) 1.8 0.0 3.2 assign (resid 48 and name HA# )(resid 119 and name HZ ) 1.8 0.0 3.2 assign (resid 48 and name HA# )(resid 166 and name HB ) 1.8 0.0 3.2 assign (resid 49 and name HB1 )(resid 167 and name HA ) 1.8 0.0 3.2 assign (resid 49 and name HB2 )(resid 167 and name HA ) 1.8 0.0 3.2 assign (resid 50 and name HA )(resid 168 and name HB# ) 1.8 0.0 3.2 assign (resid 50 and name HA )(resid 168 and name HD1# ) 1.8 0.0 3.2 assign (resid 50 and name HD2# )(resid 62 and name HA1 ) 1.8 0.0 3.2 assign (resid 50 and name HD2# )(resid 62 and name HA2 ) 1.8 0.0 3.2 assign (resid 50 and name HG )(resid 61 and name HA ) 1.8 0.0 3.2 assign (resid 50 and name HG )(resid 62 and name HA# ) 1.8 0.0 3.2 assign (resid 51 and name HA )(resid 135 and name HD2# ) 1.8 0.0 3.2 assign (resid 51 and name HA )(resid 59 and name HG2# ) 1.8 0.0 3.2 assign (resid 51 and name HB1 )(resid 61 and name HA ) 1.8 0.0 3.2 assign (resid 51 and name HB2 )(resid 61 and name HA ) 1.8 0.0 3.2 assign (resid 52 and name HA )(resid 59 and name HG2# ) 1.8 0.0 3.2 assign (resid 52 and name HD1# )(resid 136 and name HA ) 1.8 0.0 3.2 assign (resid 52 and name HD1# )(resid 149 and name HA1 ) 1.8 0.0 3.2 assign (resid 52 and name HD1# )(resid 149 and name HA2 ) 1.8 0.0 3.2 assign (resid 52 and name HD2# )(resid 169 and name HA ) 1.8 0.0 2.2 assign (resid 53 and name HA )(resid 59 and name HD1# ) 1.8 0.0 3.2 assign (resid 53 and name HA )(resid 59 and name HG2# ) 1.8 0.0 3.2 assign (resid 53 and name HB )(resid 57 and name HA# ) 1.8 0.0 3.2 assign (resid 53 and name HG2# )(resid 57 and name HA1 ) 1.8 0.0 3.2 assign (resid 53 and name HG2# )(resid 57 and name HA2 ) 1.8 0.0 3.2 assign (resid 53 and name HG2# )(resid 59 and name HA ) 1.8 0.0 3.2 assign (resid 54 and name HA )(resid 137 and name HZ2 ) 1.8 0.0 3.2 assign (resid 59 and name HG2# )(resid 61 and name HA ) 1.8 0.0 3.2 assign (resid 62 and name HA1 )(resid 135 and name HD1# ) 1.8 0.0 3.2 assign (resid 62 and name HA1 )(resid 135 and name HD2# ) 1.8 0.0 3.2 assign (resid 62 and name HA2 )(resid 135 and name HD1# ) 1.8 0.0 3.2 assign (resid 62 and name HA2 )(resid 135 and name HD2# ) 1.8 0.0 3.2 assign (resid 63 and name HA )(resid 113 and name HG1 ) 1.8 0.0 3.2 assign (resid 63 and name HG2# )(resid 115 and name HA ) 1.8 0.0 2.2 assign (resid 64 and name HA )(resid 112 and name HG2# ) 1.8 0.0 3.2 assign (resid 65 and name HG2# )(resid 135 and name HA ) 1.8 0.0 3.2 assign (resid 66 and name HA )(resid 111 and name HB# ) 1.8 0.0 3.2 assign (resid 67 and name HA )(resid 111 and name HB# ) 1.8 0.0 3.2 assign (resid 67 and name HA )(resid 133 and name HB1 ) 1.8 0.0 3.2 assign (resid 67 and name HA )(resid 133 and name HB2 ) 1.8 0.0 3.2 assign (resid 67 and name HB )(resid 110 and name HA ) 1.8 0.0 3.2 assign (resid 67 and name HG1# )(resid 133 and name HA ) 1.8 0.0 3.2 assign (resid 67 and name HG2# )(resid 112 and name HA ) 1.8 0.0 3.2 assign (resid 67 and name HG2# )(resid 133 and name HA ) 1.8 0.0 3.2 assign (resid 68 and name HA )(resid 108 and name HG1# ) 1.8 0.0 3.2 assign (resid 68 and name HA )(resid 110 and name HB# ) 1.8 0.0 3.2 assign (resid 68 and name HA )(resid 110 and name HG1 ) 1.8 0.0 3.2 assign (resid 68 and name HA )(resid 110 and name HG2 ) 1.8 0.0 3.2 assign (resid 68 and name HB# )(resid 110 and name HA ) 1.8 0.0 3.2 assign (resid 69 and name HA )(resid 131 and name HG1# ) 1.8 0.0 3.2 assign (resid 69 and name HA )(resid 131 and name HG2# ) 1.8 0.0 3.2 assign (resid 69 and name HD1# )(resid 131 and name HA ) 1.8 0.0 3.2 assign (resid 70 and name HA )(resid 108 and name HG2# ) 1.8 0.0 3.2 assign (resid 70 and name HB# )(resid 108 and name HA ) 1.8 0.0 3.2 assign (resid 71 and name HA )(resid 129 and name HB# ) 1.8 0.0 3.2 assign (resid 71 and name HA )(resid 129 and name HD# ) 1.8 0.0 3.2 assign (resid 72 and name HA )(resid 130 and name HD# ) 1.8 0.0 3.2 assign (resid 72 and name HA )(resid 130 and name HE# ) 1.8 0.0 3.2 assign (resid 72 and name HB# )(resid 129 and name HA ) 1.8 0.0 3.2 assign (resid 76 and name HE# )(resid 79 and name HA ) 1.8 0.0 3.2 assign (resid 76 and name HE# )(resid 80 and name HA ) 1.8 0.0 3.2 assign (resid 79 and name HA )(resid 83 and name HD# ) 1.8 0.0 3.2 assign (resid 79 and name HE# )(resid 97 and name HA ) 1.8 0.0 3.2 assign (resid 80 and name HD# )(resid 84 and name HA# ) 1.8 0.0 9.0 assign (resid 83 and name HE# )(resid 97 and name HA ) 1.8 0.0 3.2 assign (resid 84 and name HA# )(resid 153 and name HG1 ) 1.8 0.0 3.2 assign (resid 84 and name HA# )(resid 153 and name HG2# ) 1.8 0.0 3.2 assign (resid 85 and name HA )(resid 152 and name HG2# ) 1.8 0.0 3.2 assign (resid 86 and name HD1# )(resid 90 and name HA ) 1.8 0.0 3.2 assign (resid 86 and name HD1# )(resid 91 and name HA ) 1.8 0.0 3.2 assign (resid 86 and name HD2# )(resid 88 and name HA ) 1.8 0.0 3.2 assign (resid 86 and name HD2# )(resid 91 and name HA ) 1.8 0.0 3.2 assign (resid 88 and name HB# )(resid 150 and name HA1 ) 1.8 0.0 3.2 assign (resid 88 and name HB# )(resid 150 and name HA2 ) 1.8 0.0 3.2 assign (resid 103 and name HA )(resid 107 and name HD# ) 1.8 0.0 3.2 assign (resid 111 and name HB# )(resid 113 and name HA ) 1.8 0.0 3.2 assign (resid 111 and name HB# )(resid 119 and name HA ) 1.8 0.0 3.2 assign (resid 113 and name HB )(resid 117 and name HA# ) 1.8 0.0 3.2 assign (resid 113 and name HG2# )(resid 117 and name HA# ) 1.8 0.0 3.2 assign (resid 122 and name HA )(resid 124 and name HD1# ) 1.8 0.0 3.2 assign (resid 122 and name HA )(resid 124 and name HG1# ) 1.8 0.0 3.2 assign (resid 124 and name HG2# )(resid 126 and name HA ) 1.8 0.0 3.2 assign (resid 126 and name HA )(resid 158 and name HB ) 1.8 0.0 3.2 assign (resid 126 and name HA )(resid 158 and name HG1# ) 1.8 0.0 3.2 assign (resid 126 and name HB# )(resid 159 and name HA ) 1.8 0.0 3.2 assign (resid 127 and name HA# )(resid 129 and name HE# ) 1.8 0.0 3.2 assign (resid 128 and name HG2# )(resid 157 and name HA ) 1.8 0.0 3.2 assign (resid 130 and name HA )(resid 153 and name HG2# ) 1.8 0.0 3.2 assign (resid 132 and name HA )(resid 153 and name HG2# ) 1.8 0.0 3.2 assign (resid 132 and name HA )(resid 168 and name HD1# ) 1.8 0.0 3.2 assign (resid 132 and name HB# )(resid 153 and name HA ) 1.8 0.0 3.2 assign (resid 134 and name HA )(resid 151 and name HB ) 1.8 0.0 3.2 assign (resid 134 and name HA )(resid 151 and name HG2# ) 1.8 0.0 3.2 assign (resid 134 and name HA )(resid 152 and name HG1# ) 1.8 0.0 3.2 assign (resid 134 and name HG# )(resid 151 and name HA ) 1.8 0.0 3.2 assign (resid 136 and name HA )(resid 147 and name HG2# ) 1.8 0.0 3.2 assign (resid 136 and name HB )(resid 149 and name HA# ) 1.8 0.0 3.2 assign (resid 137 and name HZ3 )(resid 149 and name HA# ) 1.8 0.0 3.2 assign (resid 138 and name HA )(resid 145 and name HG2# ) 1.8 0.0 3.2 assign (resid 138 and name HA )(resid 147 and name HG2# ) 1.8 0.0 3.2 assign (resid 138 and name HB# )(resid 147 and name HA ) 1.8 0.0 3.2 assign (resid 140 and name HA )(resid 145 and name HG2# ) 1.8 0.0 3.2 assign (resid 140 and name HA )(resid 146 and name HG2# ) 1.8 0.0 3.2 assign (resid 140 and name HB# )(resid 145 and name HA ) 1.8 0.0 3.2 assign (resid 141 and name HB# )(resid 145 and name HA ) 1.8 0.0 3.2 assign (resid 152 and name HG1# )(resid 169 and name HA ) 1.8 0.0 3.2 assign (resid 152 and name HG2# )(resid 169 and name HA ) 1.8 0.0 3.2 assign (resid 152 and name HG2# )(resid 170 and name HA ) 1.8 0.0 3.2 assign (resid 153 and name HA )(resid 168 and name HD1# ) 1.8 0.0 3.2 assign (resid 154 and name HD# )(resid 168 and name HA ) 1.8 0.0 3.2 assign (resid 154 and name HE1 )(resid 168 and name HA ) 1.8 0.0 3.2 assign (resid 154 and name HE2 )(resid 168 and name HA ) 1.8 0.0 3.2 assign (resid 154 and name HG# )(resid 168 and name HA ) 1.8 0.0 3.2 assign (resid 158 and name HA )(resid 164 and name HE21 ) 1.8 0.0 3.2 assign (resid 158 and name HA )(resid 164 and name HE22 ) 1.8 0.0 3.2 assign (resid 166 and name HG1# )(resid 168 and name HA ) 1.8 0.0 3.2 assign (resid 167 and name HA )(resid 169 and name HG2# ) 1.8 0.0 3.2 remarks med and long range side chain to side chain assign (resid 27 and name HD1# )(resid 100 and name HD2# ) 1.8 0.0 2.2 assign (resid 27 and name HD1# )(resid 75 and name HE# ) 1.8 0.0 3.2 assign (resid 27 and name HD1# )(resid 79 and name HD# ) 1.8 0.0 3.2 assign (resid 27 and name HD1# )(resid 79 and name HE# ) 1.8 0.0 3.2 assign (resid 27 and name HD1# )(resid 98 and name HB1 ) 1.8 0.0 3.2 assign (resid 27 and name HD1# )(resid 98 and name HB2 ) 1.8 0.0 3.2 assign (resid 27 and name HD1# )(resid 98 and name HG# ) 1.8 0.0 3.2 assign (resid 27 and name HD2# )(resid 100 and name HD2# ) 1.8 0.0 3.2 assign (resid 27 and name HD2# )(resid 76 and name HE# ) 1.8 0.0 3.2 assign (resid 27 and name HD2# )(resid 78 and name HB# ) 1.8 0.0 2.2 assign (resid 27 and name HD2# )(resid 79 and name HB# ) 1.8 0.0 3.2 assign (resid 27 and name HD2# )(resid 79 and name HD# ) 1.8 0.0 3.2 assign (resid 27 and name HD2# )(resid 98 and name HB# ) 1.8 0.0 3.2 assign (resid 27 and name HD2# )(resid 98 and name HG# ) 1.8 0.0 3.2 assign (resid 28 and name HD1 )(resid 78 and name HB# ) 1.8 0.0 3.2 assign (resid 28 and name HD2 )(resid 78 and name HB# ) 1.8 0.0 3.2 assign (resid 28 and name HG# )(resid 75 and name HD# ) 1.8 0.0 3.2 assign (resid 32 and name HG# )(resid 35 and name HD# ) 1.8 0.0 3.2 assign (resid 32 and name HG# )(resid 35 and name HE# ) 1.8 0.0 3.2 assign (resid 34 and name HB# )(resid 73 and name HG2# ) 1.8 0.0 3.2 assign (resid 34 and name HG# )(resid 73 and name HG2# ) 1.8 0.0 3.2 assign (resid 35 and name HD# )(resid 101 and name HB# ) 1.8 0.0 3.2 assign (resid 35 and name HD# )(resid 107 and name HB# ) 1.8 0.0 3.2 assign (resid 35 and name HD# )(resid 107 and name HD# ) 1.8 0.0 3.2 assign (resid 35 and name HD# )(resid 75 and name HD# ) 1.8 0.0 3.2 assign (resid 35 and name HE# )(resid 104 and name HB1 ) 1.8 0.0 3.2 assign (resid 35 and name HE# )(resid 104 and name HB2 ) 1.8 0.0 3.2 assign (resid 35 and name HE# )(resid 107 and name HD# ) 1.8 0.0 3.2 assign (resid 35 and name HE# )(resid 73 and name HG2# ) 1.8 0.0 3.2 assign (resid 35 and name HE# )(resid 75 and name HD# ) 1.8 0.0 3.2 assign (resid 35 and name HE# )(resid 76 and name HE# ) 1.8 0.0 3.2 assign (resid 38 and name HG2# )(resid 129 and name HE# ) 1.8 0.0 3.2 assign (resid 38 and name HG2# )(resid 71 and name HB# ) 1.8 0.0 3.2 assign (resid 38 and name HG2# )(resid 71 and name HG# ) 1.8 0.0 3.2 assign (resid 45 and name HB )(resid 163 and name HB# ) 1.8 0.0 3.2 assign (resid 45 and name HB )(resid 163 and name HG# ) 1.8 0.0 3.2 assign (resid 45 and name HG# )(resid 161 and name HB# ) 1.8 0.0 3.2 assign (resid 45 and name HG# )(resid 163 and name HB1 ) 1.8 0.0 3.2 assign (resid 45 and name HG# )(resid 163 and name HB2 ) 1.8 0.0 3.2 assign (resid 45 and name HG# )(resid 47 and name HD21 ) 1.8 0.0 3.2 assign (resid 45 and name HG# )(resid 47 and name HD22 ) 1.8 0.0 3.2 assign (resid 45 and name HG1# )(resid 122 and name HB1 ) 1.8 0.0 3.2 assign (resid 45 and name HG1# )(resid 122 and name HB2 ) 1.8 0.0 3.2 assign (resid 45 and name HG1# )(resid 163 and name HG# ) 1.8 0.0 3.2 assign (resid 45 and name HG2# )(resid 122 and name HB1 ) 1.8 0.0 3.2 assign (resid 45 and name HG2# )(resid 122 and name HB2 ) 1.8 0.0 3.2 assign (resid 46 and name HB )(resid 121 and name HB1 ) 1.8 0.0 3.2 assign (resid 46 and name HB )(resid 121 and name HB2 ) 1.8 0.0 3.2 assign (resid 46 and name HB )(resid 121 and name HD# ) 1.8 0.0 3.2 assign (resid 46 and name HB )(resid 124 and name HD1# ) 1.8 0.0 3.2 assign (resid 46 and name HD1# )(resid 121 and name HB# ) 1.8 0.0 3.2 assign (resid 46 and name HD1# )(resid 121 and name HD# ) 1.8 0.0 3.2 assign (resid 46 and name HD1# )(resid 129 and name HB# ) 1.8 0.0 3.2 assign (resid 46 and name HD1# )(resid 131 and name HD1# ) 1.8 0.0 3.2 assign (resid 46 and name HD1# )(resid 156 and name HB ) 1.8 0.0 3.2 assign (resid 46 and name HD1# )(resid 156 and name HG1# ) 1.8 0.0 3.2 assign (resid 46 and name HD1# )(resid 158 and name HB ) 1.8 0.0 3.2 assign (resid 46 and name HD1# )(resid 164 and name HB# ) 1.8 0.0 3.2 assign (resid 46 and name HD1# )(resid 166 and name HG2# ) 1.8 0.0 3.2 assign (resid 46 and name HD1# )(resid 69 and name HD1# ) 1.8 0.0 3.2 assign (resid 46 and name HD1# )(resid 69 and name HD2# ) 1.8 0.0 3.2 assign (resid 46 and name HG1# )(resid 124 and name HD1# ) 1.8 0.0 3.2 assign (resid 46 and name HG1# )(resid 158 and name HB ) 1.8 0.0 3.2 assign (resid 46 and name HG1# )(resid 158 and name HG1# ) 1.8 0.0 3.2 assign (resid 46 and name HG1# )(resid 164 and name HB# ) 1.8 0.0 3.2 assign (resid 46 and name HG2# )(resid 124 and name HD1# ) 1.8 0.0 3.2 assign (resid 46 and name HG2# )(resid 164 and name HB# ) 1.8 0.0 3.2 assign (resid 46 and name HG2# )(resid 164 and name HG# ) 1.8 0.0 3.2 assign (resid 46 and name HG2# )(resid 166 and name HB ) 1.8 0.0 3.2 assign (resid 47 and name HB# )(resid 165 and name HG# ) 1.8 0.0 3.2 assign (resid 49 and name HB# )(resid 167 and name HG ) 1.8 0.0 3.2 assign (resid 49 and name HB1 )(resid 167 and name HD2# ) 1.8 0.0 3.2 assign (resid 49 and name HB1 )(resid 51 and name HD# ) 1.8 0.0 3.2 assign (resid 49 and name HB1 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and name HD# )(resid 59 and name HG11 ) 1.8 0.0 3.2 assign (resid 51 and name HD# )(resid 59 and name HG12 ) 1.8 0.0 3.2 assign (resid 51 and name HD# )(resid 59 and name HG2# ) 1.8 0.0 3.2 assign (resid 51 and name HD# )(resid 61 and name HE# ) 1.8 0.0 3.2 assign (resid 51 and name HE# )(resid 167 and name HD2# ) 1.8 0.0 3.2 assign (resid 51 and name HE# )(resid 169 and name HG2# ) 1.8 0.0 3.2 assign (resid 51 and name HE# )(resid 59 and name HD1# ) 1.8 0.0 3.2 assign (resid 51 and name HE# )(resid 59 and name HG1# ) 1.8 0.0 3.2 assign (resid 51 and name HE# )(resid 59 and name HG2# ) 1.8 0.0 3.2 assign (resid 51 and name HE# )(resid 61 and name HE# ) 1.8 0.0 3.2 assign (resid 52 and name HB1 )(resid 137 and name HH2 ) 1.8 0.0 3.2 assign (resid 52 and name HB1 )(resid 137 and name HZ3 ) 1.8 0.0 3.2 assign (resid 52 and name HB2 )(resid 137 and name HH2 ) 1.8 0.0 3.2 assign (resid 52 and name HB2 )(resid 137 and name HZ3 ) 1.8 0.0 3.2 assign (resid 52 and name HD1# )(resid 135 and name 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1.8 0.0 3.2 assign (resid 154 and name HD# )(resid 168 and name HD1# ) 1.8 0.0 3.2 assign (resid 154 and name HD# )(resid 169 and name HG2# ) 1.8 0.0 3.2 assign (resid 154 and name HE# )(resid 156 and name HG# ) 1.8 0.0 3.2 assign (resid 154 and name HE# )(resid 169 and name HG2# ) 1.8 0.0 3.2 assign (resid 154 and name HE1 )(resid 166 and name HG1# ) 1.8 0.0 3.2 assign (resid 154 and name HE1 )(resid 168 and name HD1# ) 1.8 0.0 3.2 assign (resid 154 and name HE2 )(resid 166 and name HG1# ) 1.8 0.0 3.2 assign (resid 154 and name HE2 )(resid 168 and name HD1# ) 1.8 0.0 3.2 assign (resid 154 and name HG# )(resid 166 and name HG1# ) 1.8 0.0 3.2 assign (resid 154 and name HG# )(resid 168 and name HD1# ) 1.8 0.0 3.2 assign (resid 157 and name HG2# )(resid 159 and name HB# ) 1.8 0.0 3.2 assign (resid 158 and name HG1# )(resid 164 and name HB# ) 1.8 0.0 3.2 assign (resid 158 and name HG1# )(resid 164 and name HE21 ) 1.8 0.0 3.2 assign (resid 158 and name HG1# )(resid 164 and name HE22 ) 1.8 0.0 3.2 assign (resid 164 and name HB# )(resid 166 and name HG2# ) 1.8 0.0 3.2 assign (resid 164 and name HG# )(resid 166 and name HG2# ) 1.8 0.0 3.2 assign (resid 165 and name HE# )(resid 167 and name HD2# ) 1.8 0.0 3.2 assign (resid 166 and name HG1# )(resid 168 and name HB# ) 1.8 0.0 3.2 assign (resid 167 and name HB# )(resid 169 and name HB ) 1.8 0.0 3.2 assign (resid 167 and name HB1 )(resid 169 and name HG2# ) 1.8 0.0 3.2 assign (resid 167 and name HB2 )(resid 169 and name HG2# ) 1.8 0.0 3.2 assign (resid 167 and name HD1# )(resid 169 and name HG2# ) 1.8 0.0 3.2 assign (resid 167 and name HD2# )(resid 169 and name HG2# ) 1.8 0.0 3.2 assign (resid 167 and name HG )(resid 169 and name HG2# ) 1.8 0.0 3.2 remarks intraresidue assign (resid 27 and name HA )(resid 27 and name HD1# ) 1.8 0.0 3.2 assign (resid 27 and name HA )(resid 27 and name HD2# ) 1.8 0.0 2.2 assign (resid 27 and name HA )(resid 27 and name HG ) 1.8 0.0 3.2 assign (resid 27 and name HB1 )(resid 27 and name HD1# ) 1.8 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(resid 50 and name HA )(resid 50 and name HD1# ) 1.8 0.0 2.2 assign (resid 50 and name HA )(resid 50 and name HG ) 1.8 0.0 3.2 assign (resid 50 and name HB1 )(resid 50 and name HD1# ) 1.8 0.0 3.2 assign (resid 50 and name HB1 )(resid 50 and name HD2# ) 1.8 0.0 3.2 assign (resid 50 and name HB2 )(resid 50 and name HD1# ) 1.8 0.0 3.2 assign (resid 50 and name HB2 )(resid 50 and name HD2# ) 1.8 0.0 3.2 assign (resid 50 and name HN )(resid 50 and name HB1 ) 1.8 0.0 1.7 assign (resid 50 and name HN )(resid 50 and name HB2 ) 1.8 0.0 1.7 assign (resid 50 and name HN )(resid 50 and name HD1# ) 1.8 0.0 3.2 assign (resid 50 and name HN )(resid 50 and name HD2# ) 1.8 0.0 3.2 assign (resid 51 and name HA )(resid 51 and name HD# ) 1.8 0.0 3.2 assign (resid 51 and name HB# )(resid 51 and name HE# ) 1.8 0.0 3.2 assign (resid 51 and name HB1 )(resid 51 and name HD# ) 1.8 0.0 3.2 assign (resid 51 and name HB2 )(resid 51 and name HD# ) 1.8 0.0 3.2 assign (resid 51 and name HN )(resid 51 and name HD# ) 1.8 0.0 3.2 assign (resid 52 and name HA )(resid 52 and name HD1# ) 1.8 0.0 3.2 assign (resid 52 and name HA )(resid 52 and name HD2# ) 1.8 0.0 2.2 assign (resid 52 and name HA )(resid 52 and name HG ) 1.8 0.0 3.2 assign (resid 52 and name HB1 )(resid 52 and name HD1# ) 1.8 0.0 3.2 assign (resid 52 and name HB1 )(resid 52 and name HD2# ) 1.8 0.0 3.2 assign (resid 52 and name HB2 )(resid 52 and name HD1# ) 1.8 0.0 3.2 assign (resid 52 and name HB2 )(resid 52 and name HD2# ) 1.8 0.0 3.2 assign (resid 52 and name HN )(resid 52 and name HB# ) 1.8 0.0 3.2 assign (resid 52 and name HN )(resid 52 and name HD1# ) 1.8 0.0 3.2 assign (resid 52 and name HN )(resid 52 and name HD2# ) 1.8 0.0 3.2 assign (resid 53 and name HA )(resid 53 and name HG2# ) 1.8 0.0 3.2 assign (resid 53 and name HN )(resid 53 and name HB ) 1.8 0.0 3.2 assign (resid 53 and name HN )(resid 53 and name HG2# ) 1.8 0.0 3.2 assign (resid 54 and name HN )(resid 54 and name HB1 ) 1.8 0.0 3.2 assign (resid 54 and name HN )(resid 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)(resid 168 and name HD1# ) 1.8 0.0 3.2 assign (resid 168 and name HB1 )(resid 168 and name HD2# ) 1.8 0.0 3.2 assign (resid 168 and name HB2 )(resid 168 and name HD1# ) 1.8 0.0 3.2 assign (resid 168 and name HB2 )(resid 168 and name HD2# ) 1.8 0.0 3.2 assign (resid 168 and name HN )(resid 168 and name HB1 ) 1.8 0.0 3.2 assign (resid 168 and name HN )(resid 168 and name HB2 ) 1.8 0.0 3.2 assign (resid 168 and name HN )(resid 168 and name HD1# ) 1.8 0.0 3.2 assign (resid 168 and name HN )(resid 168 and name HD2# ) 1.8 0.0 3.2 assign (resid 169 and name HA )(resid 169 and name HG2# ) 1.8 0.0 3.2 assign (resid 169 and name HN )(resid 169 and name HB ) 1.8 0.0 3.2 assign (resid 169 and name HN )(resid 169 and name HG2# ) 1.8 0.0 3.2 assign (resid 170 and name HA )(resid 170 and name HD# ) 1.8 0.0 3.2 assign (resid 170 and name HB# )(resid 170 and name HD# ) 1.8 0.0 3.2 remarks other sequential assign (resid 27 and name HA )(resid 28 and name HD# ) 1.8 0.0 3.2 assign (resid 27 and name HB1 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(resid 58 and name HA )(resid 59 and name HB ) 1.8 0.0 3.2 assign (resid 58 and name HA )(resid 59 and name HD1# ) 1.8 0.0 3.2 assign (resid 58 and name HA )(resid 59 and name HG1# ) 1.8 0.0 3.2 assign (resid 59 and name HG2# )(resid 60 and name HA ) 1.8 0.0 3.2 assign (resid 60 and name HA )(resid 61 and name HB# ) 1.8 0.0 3.2 assign (resid 61 and name HB# )(resid 62 and name HA1 ) 1.8 0.0 3.2 assign (resid 61 and name HB# )(resid 62 and name HA2 ) 1.8 0.0 3.2 assign (resid 63 and name HA )(resid 64 and name HB# ) 1.8 0.0 3.2 assign (resid 63 and name HG2# )(resid 64 and name HB# ) 1.8 0.0 3.2 assign (resid 65 and name HA )(resid 66 and name HB# ) 1.8 0.0 3.2 assign (resid 66 and name HA )(resid 67 and name HB ) 1.8 0.0 3.2 assign (resid 66 and name HA )(resid 67 and name HG2# ) 1.8 0.0 3.2 assign (resid 67 and name HA )(resid 68 and name HB# ) 1.8 0.0 3.2 assign (resid 69 and name HG )(resid 70 and name HA ) 1.8 0.0 3.2 assign (resid 70 and name HA )(resid 71 and name HD1 ) 1.8 0.0 2.2 assign (resid 70 and name HA )(resid 71 and name HD2 ) 1.8 0.0 2.2 assign (resid 70 and name HB# )(resid 71 and name HD# ) 1.8 0.0 3.2 assign (resid 70 and name HG# )(resid 71 and name HD# ) 1.8 0.0 3.2 assign (resid 71 and name HB# )(resid 72 and name HB# ) 1.8 0.0 3.2 assign (resid 81 and name HB# )(resid 82 and name HB# ) 1.8 0.0 3.2 assign (resid 81 and name HB# )(resid 82 and name HG1 ) 1.8 0.0 3.2 assign (resid 81 and name HB# )(resid 82 and name HG2 ) 1.8 0.0 3.2 assign (resid 82 and name HB1 )(resid 83 and name HD# ) 1.8 0.0 3.2 assign (resid 82 and name HB1 )(resid 83 and name HE# ) 1.8 0.0 3.2 assign (resid 82 and name HB2 )(resid 83 and name HD# ) 1.8 0.0 3.2 assign (resid 82 and name HB2 )(resid 83 and name HE# ) 1.8 0.0 3.2 assign (resid 82 and name HD# )(resid 83 and name HD# ) 1.8 0.0 3.2 assign (resid 82 and name HD# )(resid 83 and name HE# ) 1.8 0.0 3.2 assign (resid 82 and name HE# )(resid 83 and name HE# ) 1.8 0.0 3.2 assign (resid 86 and name HA )(resid 87 and name HB# ) 1.8 0.0 3.2 assign (resid 86 and name HD2# )(resid 87 and name HB# ) 1.8 0.0 3.2 assign (resid 88 and name HB# )(resid 89 and name HA ) 1.8 0.0 3.2 assign (resid 91 and name HA )(resid 92 and name HB1 ) 1.8 0.0 3.2 assign (resid 91 and name HA )(resid 92 and name HB2 ) 1.8 0.0 3.2 assign (resid 92 and name HA )(resid 93 and name HD# ) 1.8 0.0 2.2 assign (resid 94 and name HA )(resid 95 and name HG2# ) 1.8 0.0 3.2 assign (resid 94 and name HB1 )(resid 95 and name HG2# ) 1.8 0.0 3.2 assign (resid 94 and name HB2 )(resid 95 and name HG2# ) 1.8 0.0 3.2 assign (resid 95 and name HA )(resid 96 and name HG# ) 1.8 0.0 3.2 assign (resid 96 and name HA )(resid 97 and name HD1 ) 1.8 0.0 3.2 assign (resid 96 and name HA )(resid 97 and name HD2 ) 1.8 0.0 3.2 assign (resid 96 and name HA )(resid 97 and name HG1 ) 1.8 0.0 3.2 assign (resid 96 and name HA )(resid 97 and name HG2 ) 1.8 0.0 3.2 assign (resid 96 and name HB1 )(resid 97 and name HD1 ) 1.8 0.0 3.2 assign (resid 96 and name HB1 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98 and name HB# )(resid 99 and name HG# ) 1.8 0.0 3.2 assign (resid 99 and name HA )(resid 100 and name HG ) 1.8 0.0 3.2 assign (resid 101 and name HA )(resid 102 and name HD1 ) 1.8 0.0 3.2 assign (resid 101 and name HA )(resid 102 and name HD2 ) 1.8 0.0 3.2 assign (resid 101 and name HB# )(resid 102 and name HD# ) 1.8 0.0 3.2 assign (resid 103 and name HB# )(resid 104 and name HG# ) 1.8 0.0 3.2 assign (resid 106 and name HB )(resid 107 and name HD# ) 1.8 0.0 3.2 assign (resid 106 and name HG2# )(resid 107 and name HE# ) 1.8 0.0 3.2 assign (resid 109 and name HA )(resid 110 and name HB# ) 1.8 0.0 3.2 assign (resid 114 and name HB1 )(resid 115 and name HB# ) 1.8 0.0 3.2 assign (resid 114 and name HB2 )(resid 115 and name HB# ) 1.8 0.0 3.2 assign (resid 120 and name HA )(resid 121 and name HB# ) 1.8 0.0 3.2 assign (resid 124 and name HA )(resid 125 and name HD# ) 1.8 0.0 3.2 assign (resid 124 and name HG1# )(resid 125 and name HD# ) 1.8 0.0 3.2 assign (resid 124 and name HG2# )(resid 125 and name HD1 ) 1.8 0.0 3.2 assign (resid 124 and name HG2# )(resid 125 and name HD2 ) 1.8 0.0 3.2 assign (resid 128 and name HA )(resid 129 and name HD# ) 1.8 0.0 3.2 assign (resid 130 and name HA )(resid 131 and name HB ) 1.8 0.0 3.2 assign (resid 130 and name HA )(resid 131 and name HG1# ) 1.8 0.0 3.2 assign (resid 136 and name HA )(resid 137 and name HE3 ) 1.8 0.0 3.2 assign (resid 137 and name HA )(resid 138 and name HB# ) 1.8 0.0 3.2 assign (resid 138 and name HA )(resid 139 and name HB# ) 1.8 0.0 3.2 assign (resid 138 and name HB# )(resid 139 and name HB# ) 1.8 0.0 3.2 assign (resid 139 and name HB# )(resid 140 and name HA ) 1.8 0.0 3.2 assign (resid 139 and name HB# )(resid 140 and name HG# ) 1.8 0.0 3.2 assign (resid 140 and name HA )(resid 141 and name HB# ) 1.8 0.0 3.2 assign (resid 145 and name HA )(resid 146 and name HG2# ) 1.8 0.0 3.2 assign (resid 147 and name HG2# )(resid 148 and name HA ) 1.8 0.0 3.2 assign (resid 151 and name HA )(resid 152 and name HG1# ) 1.8 0.0 3.2 assign (resid 152 and name HG2# )(resid 153 and name HA ) 1.8 0.0 3.2 assign (resid 153 and name HA )(resid 154 and name HB# ) 1.8 0.0 3.2 assign (resid 154 and name HA )(resid 155 and name HB# ) 1.8 0.0 3.2 assign (resid 155 and name HA )(resid 156 and name HG# ) 1.8 0.0 3.2 assign (resid 155 and name HD1# )(resid 156 and name HA ) 1.8 0.0 3.2 assign (resid 156 and name HA )(resid 157 and name HB ) 1.8 0.0 3.2 assign (resid 158 and name HA )(resid 159 and name HB# ) 1.8 0.0 3.2 assign (resid 158 and name HG1# )(resid 159 and name HB# ) 1.8 0.0 3.2 assign (resid 162 and name HA )(resid 163 and name HD1 ) 1.8 0.0 3.2 assign (resid 162 and name HA )(resid 163 and name HD2 ) 1.8 0.0 3.2 assign (resid 162 and name HB# )(resid 163 and name HD1 ) 1.8 0.0 3.2 assign (resid 162 and name HB# )(resid 163 and name HD2 ) 1.8 0.0 3.2 assign (resid 162 and name HG1 )(resid 163 and name HD1 ) 1.8 0.0 3.2 assign (resid 162 and name HG1 )(resid 163 and name HD2 ) 1.8 0.0 3.2 assign (resid 162 and name HG2 )(resid 163 and name HD1 ) 1.8 0.0 3.2 assign (resid 162 and name HG2 )(resid 163 and name HD2 ) 1.8 0.0 3.2 assign (resid 164 and name HA )(resid 165 and name HB# ) 1.8 0.0 3.2 assign (resid 165 and name HA )(resid 166 and name HG2# ) 1.8 0.0 3.2 assign (resid 165 and name HB# )(resid 166 and name HG2# ) 1.8 0.0 3.2 assign (resid 166 and name HG1# )(resid 167 and name HA ) 1.8 0.0 3.2 assign (resid 169 and name HG2# )(resid 170 and name HA ) 1.8 0.0 3.2
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