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 |
|
|
592100 |
2mvo   |
25277 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!!! Distance Restraints (n=502) !! Intra-residue (i=j; n=70) assign(resid 50 and name hn )(resid 50 and name ha ) 2.7 0.0 5.0 assign(resid 52 and name hn )(resid 52 and name ha ) 2.7 0.0 5.0 assign(resid 59 and name hn )(resid 59 and name ha ) 2.7 0.0 5.0 assign(resid 60 and name hn )(resid 60 and name ha ) 2.7 0.0 5.0 assign(resid 61 and name hn )(resid 61 and name ha ) 2.7 0.0 5.0 assign(resid 62 and name hn )(resid 62 and name ha ) 2.7 0.0 5.0 assign(resid 63 and name hn )(resid 63 and name ha ) 2.7 0.0 5.0 assign(resid 64 and name hn )(resid 64 and name ha ) 2.7 0.0 5.0 assign(resid 65 and name hn )(resid 65 and name ha ) 2.7 0.0 5.0 assign(resid 66 and name hn )(resid 66 and name ha ) 2.7 0.0 5.0 assign(resid 67 and name hn )(resid 67 and name ha ) 2.7 0.0 5.0 assign(resid 68 and name hn )(resid 68 and name ha ) 0.0 0.0 2.7 assign(resid 69 and name hn )(resid 69 and name ha ) 2.7 0.0 5.0 assign(resid 70 and name hn )(resid 70 and name ha ) 2.7 0.0 5.0 assign(resid 71 and name hn )(resid 71 and name ha ) 2.7 0.0 5.0 assign(resid 74 and name hn )(resid 74 and name ha ) 2.7 0.0 5.0 assign(resid 75 and name hn )(resid 75 and name ha ) 2.7 0.0 5.0 assign(resid 76 and name hn )(resid 76 and name ha ) 2.7 0.0 5.0 assign(resid 77 and name hn )(resid 77 and name ha ) 2.7 0.0 5.0 assign(resid 78 and name hn )(resid 78 and name ha1 ) 2.7 0.0 5.0 assign(resid 78 and name hn )(resid 78 and name ha2 ) 2.7 0.0 5.0 assign(resid 79 and name hn )(resid 79 and name ha ) 2.7 0.0 5.0 assign(resid 80 and name hn )(resid 80 and name ha ) 2.7 0.0 5.0 assign(resid 81 and name hn )(resid 81 and name ha ) 2.7 0.0 5.0 assign(resid 82 and name hn )(resid 82 and name ha ) 2.7 0.0 5.0 assign(resid 83 and name hn )(resid 83 and name ha ) 2.7 0.0 5.0 assign(resid 85 and name hn )(resid 85 and name ha ) 2.7 0.0 5.0 assign(resid 87 and name hn )(resid 87 and name ha ) 2.7 0.0 5.0 assign(resid 89 and name hn )(resid 89 and name ha ) 2.7 0.0 5.0 assign(resid 90 and name hn )(resid 90 and name ha ) 2.7 0.0 5.0 assign(resid 91 and name hn )(resid 91 and name ha ) 2.7 0.0 5.0 assign(resid 92 and name hn )(resid 92 and name ha ) 2.7 0.0 5.0 assign(resid 94 and name hn )(resid 94 and name ha ) 2.7 0.0 5.0 assign(resid 95 and name hn )(resid 95 and name ha1 ) 0.0 0.0 3.2 assign(resid 95 and name hn )(resid 95 and name ha2 ) 0.0 0.0 2.7 assign(resid 96 and name hn )(resid 96 and name ha ) 2.7 0.0 5.0 assign(resid 97 and name hn )(resid 97 and name ha ) 2.7 0.0 5.0 assign(resid 98 and name hn )(resid 98 and name ha ) 2.7 0.0 5.0 assign(resid 99 and name hn )(resid 99 and name ha ) 2.7 0.0 5.0 assign(resid 100 and name hn )(resid 100 and name ha ) 2.7 0.0 5.0 assign(resid 101 and name hn )(resid 101 and name ha ) 2.7 0.0 5.0 assign(resid 103 and name hn )(resid 103 and name ha ) 2.7 0.0 5.0 assign(resid 104 and name hn )(resid 104 and name ha ) 2.7 0.0 5.0 assign(resid 105 and name hn )(resid 105 and name ha ) 2.7 0.0 5.0 assign(resid 106 and name hn )(resid 106 and name ha ) 2.7 0.0 5.0 assign(resid 107 and name hn )(resid 107 and name ha ) 2.7 0.0 5.0 assign(resid 108 and name hn )(resid 108 and name ha1 ) 2.7 0.0 5.0 assign(resid 108 and name hn )(resid 108 and name ha2 ) 0.0 0.0 2.7 assign(resid 109 and name hn )(resid 109 and name ha ) 2.7 0.0 5.0 assign(resid 112 and name hn )(resid 112 and name ha ) 2.7 0.0 5.0 assign(resid 113 and name hn )(resid 113 and name ha ) 2.7 0.0 5.0 assign(resid 115 and name hn )(resid 115 and name ha ) 2.7 0.0 5.0 assign(resid 116 and name hn )(resid 116 and name ha ) 2.7 0.0 5.0 assign(resid 117 and name hn )(resid 117 and name ha ) 2.7 0.0 5.0 assign(resid 118 and name hn )(resid 118 and name ha ) 2.7 0.0 5.0 assign(resid 119 and name hn )(resid 119 and name ha1 ) 0.0 0.0 2.7 assign(resid 119 and name hn )(resid 119 and name ha2 ) 2.7 0.0 5.0 assign(resid 125 and name hn )(resid 125 and name ha ) 2.7 0.0 5.0 assign(resid 127 and name hn )(resid 127 and name ha ) 2.7 0.0 5.0 assign(resid 128 and name hn )(resid 128 and name ha1 ) 0.0 0.0 2.7 assign(resid 128 and name hn )(resid 128 and name ha2 ) 2.7 0.0 5.0 assign(resid 130 and name hn )(resid 130 and name ha ) 2.7 0.0 5.0 assign(resid 131 and name hn )(resid 131 and name ha ) 2.7 0.0 5.0 assign(resid 132 and name hn )(resid 132 and name ha ) 2.7 0.0 5.0 assign(resid 133 and name hn )(resid 133 and name ha ) 2.7 0.0 5.0 assign(resid 134 and name hn )(resid 134 and name ha ) 2.7 0.0 5.0 assign(resid 135 and name hn )(resid 135 and name ha ) 2.7 0.0 5.0 assign(resid 136 and name hn )(resid 136 and name ha ) 2.7 0.0 5.0 assign(resid 137 and name hn )(resid 137 and name ha ) 2.7 0.0 5.0 assign(resid 138 and name hn )(resid 138 and name ha ) 2.7 0.0 5.0 !! Sequential (|i-j|=1; n=143) assign(resid 50 and name ha )(resid 51 and name hd1 ) 0.0 0.0 5.0 assign(resid 50 and name ha )(resid 51 and name hd2 ) 0.0 0.0 2.7 assign(resid 50 and name hn )(resid 49 and name ha ) 0.0 0.0 2.7 assign(resid 50 and name hn )(resid 51 and name hd1 ) 3.5 0.0 5.0 assign(resid 50 and name hn )(resid 51 and name hd2 ) 3.5 0.0 5.0 assign(resid 52 and name ha )(resid 53 and name hd+ ) 0.0 0.0 3.5 assign(resid 52 and name hn )(resid 51 and name ha ) 0.0 0.0 2.7 assign(resid 54 and name hn )(resid 53 and name ha ) 0.0 0.0 2.7 assign(resid 59 and name hn )(resid 58 and name ha ) 2.7 0.0 5.0 assign(resid 60 and name hn )(resid 59 and name ha ) 0.0 0.0 2.7 assign(resid 60 and name hn )(resid 61 and name hn ) 3.5 0.0 5.0 assign(resid 61 and name hn )(resid 60 and name ha ) 0.0 0.0 2.7 assign(resid 61 and name hn )(resid 62 and name hn ) 3.5 0.0 5.0 assign(resid 62 and name hn )(resid 61 and name ha ) 0.0 0.0 2.7 assign(resid 62 and name hn )(resid 63 and name hn ) 3.5 0.0 5.0 assign(resid 63 and name hn )(resid 62 and name ha ) 0.0 0.0 2.7 assign(resid 63 and name hn )(resid 64 and name hn ) 3.5 0.0 5.0 assign(resid 64 and name hn )(resid 63 and name ha ) 0.0 0.0 2.7 assign(resid 65 and name hn )(resid 64 and name ha ) 3.2 0.0 2.7 assign(resid 66 and name hn )(resid 65 and name ha ) 2.7 0.0 5.0 assign(resid 66 and name hn )(resid 67 and name hn ) 0.0 0.0 2.7 assign(resid 67 and name hn )(resid 66 and name ha ) 2.7 0.0 5.0 assign(resid 67 and name hn )(resid 68 and name hn ) 0.0 0.0 2.7 assign(resid 68 and name hn )(resid 67 and name ha ) 2.7 0.0 5.0 assign(resid 68 and name hn )(resid 69 and name hn ) 3.5 0.0 5.0 assign(resid 69 and name hn )(resid 68 and name ha ) 2.7 0.0 5.0 assign(resid 69 and name hn )(resid 70 and name hn ) 0.0 0.0 2.7 assign(resid 70 and name hn )(resid 69 and name ha ) 3.2 0.0 5.0 assign(resid 70 and name hn )(resid 71 and name hn ) 0.0 0.0 2.7 assign(resid 71 and name hn )(resid 70 and name ha ) 2.7 0.0 5.0 assign(resid 71 and name hn )(resid 72 and name hd1 ) 3.5 0.0 5.0 assign(resid 71 and name hn )(resid 72 and name hd2 ) 3.5 0.0 5.0 assign(resid 72 and name hd1 )(resid 71 and name ha ) 0.0 0.0 2.7 assign(resid 72 and name hd2 )(resid 71 and name ha ) 0.0 0.0 3.2 assign(resid 74 and name hn )(resid 73 and name ha ) 0.0 0.0 2.7 assign(resid 74 and name hn )(resid 73 and name hn ) 3.5 0.0 5.0 assign(resid 74 and name hn )(resid 75 and name hn ) 0.0 0.0 2.7 assign(resid 75 and name hn )(resid 74 and name ha ) 2.7 0.0 5.0 assign(resid 75 and name hn )(resid 76 and name hn ) 3.5 0.0 5.0 assign(resid 76 and name hn )(resid 75 and name ha ) 0.0 0.0 2.7 assign(resid 76 and name hn )(resid 77 and name hn ) 0.0 0.0 2.7 assign(resid 77 and name hn )(resid 76 and name ha ) 3.2 0.0 5.0 assign(resid 77 and name hn )(resid 78 and name hn ) 3.5 0.0 5.0 assign(resid 78 and name hn )(resid 77 and name ha ) 0.0 0.0 2.7 assign(resid 78 and name hn )(resid 79 and name hn ) 3.5 0.0 5.0 assign(resid 79 and name hn )(resid 78 and name ha1 ) 0.0 0.0 3.2 assign(resid 79 and name hn )(resid 78 and name ha2 ) 0.0 0.0 2.7 assign(resid 79 and name hn )(resid 80 and name hn ) 3.5 0.0 5.0 assign(resid 80 and name hn )(resid 79 and name ha ) 0.0 0.0 2.7 assign(resid 80 and name hn )(resid 81 and name hn ) 3.5 0.0 5.0 assign(resid 81 and name hn )(resid 80 and name ha ) 0.0 0.0 2.7 assign(resid 81 and name hn )(resid 82 and name hn ) 3.5 0.0 5.0 assign(resid 82 and name hn )(resid 81 and name ha ) 0.0 0.0 2.7 assign(resid 82 and name hn )(resid 83 and name hn ) 3.5 0.0 5.0 assign(resid 83 and name hn )(resid 82 and name ha ) 0.0 0.0 2.7 assign(resid 83 and name hn )(resid 84 and name hd1 ) 3.5 0.0 5.0 assign(resid 83 and name hn )(resid 84 and name hd2 ) 3.5 0.0 5.0 assign(resid 85 and name hn )(resid 84 and name ha ) 3.2 0.0 5.0 assign(resid 85 and name hn )(resid 86 and name hn ) 0.0 0.0 2.7 assign(resid 87 and name hn )(resid 86 and name ha ) 2.7 0.0 5.0 assign(resid 87 and name hn )(resid 86 and name hn ) 0.0 0.0 2.7 assign(resid 89 and name hn )(resid 88 and name ha ) 0.0 0.0 2.7 assign(resid 89 and name hn )(resid 90 and name hn ) 3.5 0.0 5.0 assign(resid 90 and name hn )(resid 89 and name ha ) 0.0 0.0 2.7 assign(resid 90 and name hn )(resid 91 and name hn ) 3.5 0.0 5.0 assign(resid 91 and name hn )(resid 90 and name ha ) 0.0 0.0 2.7 assign(resid 91 and name hn )(resid 92 and name hn ) 3.5 0.0 5.0 assign(resid 92 and name ha )(resid 93 and name hd1 ) 0.0 0.0 2.7 assign(resid 92 and name ha )(resid 93 and name hd2 ) 0.0 0.0 2.7 assign(resid 92 and name hn )(resid 91 and name ha ) 0.0 0.0 2.7 assign(resid 92 and name hn )(resid 93 and name hd1 ) 3.5 0.0 5.0 assign(resid 92 and name hn )(resid 93 and name hd2 ) 3.5 0.0 5.0 assign(resid 94 and name hn )(resid 93 and name ha ) 3.2 0.0 5.0 assign(resid 94 and name hn )(resid 93 and name hd1 ) 3.5 0.0 5.0 assign(resid 94 and name hn )(resid 93 and name hd2 ) 0.0 0.0 3.5 assign(resid 94 and name hn )(resid 95 and name hn ) 0.0 0.0 2.7 assign(resid 95 and name hn )(resid 94 and name ha ) 3.2 0.0 5.0 assign(resid 95 and name hn )(resid 96 and name hn ) 0.0 0.0 2.7 assign(resid 96 and name hn )(resid 95 and name ha1 ) 3.2 0.0 5.0 assign(resid 96 and name hn )(resid 95 and name ha2 ) 2.7 0.0 5.0 assign(resid 96 and name hn )(resid 97 and name hn ) 3.5 0.0 5.0 assign(resid 97 and name hn )(resid 96 and name ha ) 0.0 0.0 2.7 assign(resid 97 and name hn )(resid 98 and name hn ) 3.5 0.0 5.0 assign(resid 98 and name hn )(resid 97 and name ha ) 0.0 0.0 2.7 assign(resid 98 and name hn )(resid 99 and name hn ) 3.5 0.0 5.0 assign(resid 99 and name hn )(resid 100 and name hn ) 3.5 0.0 5.0 assign(resid 99 and name hn )(resid 98 and name ha ) 0.0 0.0 2.7 assign(resid 100 and name hn )(resid 101 and name hn ) 0.0 0.0 2.7 assign(resid 100 and name hn )(resid 99 and name ha ) 0.0 0.0 2.7 assign(resid 101 and name hn )(resid 100 and name ha ) 2.7 0.0 5.0 assign(resid 103 and name hn )(resid 102 and name ha ) 3.2 0.0 5.0 assign(resid 103 and name hn )(resid 104 and name hn ) 0.0 0.0 2.7 assign(resid 104 and name hn )(resid 103 and name ha ) 3.2 0.0 5.0 assign(resid 105 and name hn )(resid 104 and name ha ) 3.2 0.0 5.0 assign(resid 105 and name hn )(resid 106 and name hn ) 0.0 0.0 2.7 assign(resid 106 and name hn )(resid 105 and name ha ) 3.2 0.0 5.0 assign(resid 106 and name hn )(resid 107 and name hn ) 0.0 0.0 2.7 assign(resid 107 and name hn )(resid 106 and name ha ) 3.2 0.0 5.0 assign(resid 107 and name hn )(resid 108 and name hn ) 0.0 0.0 2.7 assign(resid 108 and name hn )(resid 107 and name ha ) 3.2 0.0 5.0 assign(resid 108 and name hn )(resid 109 and name hn ) 0.0 0.0 2.7 assign(resid 109 and name hn )(resid 108 and name ha1 ) 3.2 0.0 5.0 assign(resid 109 and name hn )(resid 108 and name ha2 ) 2.7 0.0 5.0 assign(resid 109 and name hn )(resid 110 and name hd1 ) 3.5 0.0 5.0 assign(resid 109 and name hn )(resid 110 and name hd2 ) 3.5 0.0 5.0 assign(resid 112 and name hn )(resid 111 and name ha ) 0.0 0.0 2.7 assign(resid 112 and name hn )(resid 111 and name hd1 ) 3.5 0.0 5.0 assign(resid 112 and name hn )(resid 111 and name hd2 ) 3.5 0.0 5.0 assign(resid 112 and name hn )(resid 113 and name hn ) 0.0 0.0 3.2 assign(resid 113 and name hn )(resid 112 and name ha ) 3.2 0.0 5.0 assign(resid 113 and name hn )(resid 114 and name hd+ ) 0.0 0.0 4.0 assign(resid 115 and name hn )(resid 114 and name ha ) 3.2 0.0 5.0 assign(resid 115 and name hn )(resid 114 and name hd+ ) 0.0 0.0 4.0 assign(resid 115 and name hn )(resid 116 and name hn ) 0.0 0.0 2.7 assign(resid 116 and name hn )(resid 115 and name ha ) 2.7 0.0 5.0 assign(resid 116 and name hn )(resid 117 and name hn ) 3.5 0.0 5.0 assign(resid 117 and name hn )(resid 116 and name ha ) 0.0 0.0 2.7 assign(resid 117 and name hn )(resid 118 and name hn ) 3.5 0.0 5.0 assign(resid 118 and name hn )(resid 117 and name ha ) 0.0 0.0 2.7 assign(resid 118 and name hn )(resid 119 and name hn ) 3.5 0.0 5.0 assign(resid 119 and name hn )(resid 118 and name ha ) 0.0 0.0 2.7 assign(resid 119 and name hn )(resid 120 and name hn ) 3.5 0.0 5.0 assign(resid 125 and name hn )(resid 124 and name ha ) 0.0 0.0 2.7 assign(resid 127 and name hn )(resid 126 and name ha ) 0.0 0.0 2.7 assign(resid 127 and name hn )(resid 128 and name hn ) 0.0 0.0 2.7 assign(resid 128 and name hn )(resid 127 and name ha ) 2.7 0.0 5.0 assign(resid 130 and name hn )(resid 129 and name ha ) 3.2 0.0 5.0 assign(resid 130 and name hn )(resid 131 and name hn ) 0.0 0.0 2.7 assign(resid 131 and name hn )(resid 130 and name ha ) 3.2 0.0 5.0 assign(resid 131 and name hn )(resid 132 and name hn ) 0.0 0.0 2.7 assign(resid 132 and name hn )(resid 131 and name ha ) 3.2 0.0 5.0 assign(resid 132 and name hn )(resid 133 and name hn ) 0.0 0.0 2.7 assign(resid 133 and name hn )(resid 132 and name ha ) 3.2 0.0 5.0 assign(resid 133 and name hn )(resid 134 and name hn ) 0.0 0.0 2.7 assign(resid 134 and name hn )(resid 133 and name ha ) 3.2 0.0 5.0 assign(resid 134 and name hn )(resid 135 and name hn ) 0.0 0.0 2.7 assign(resid 135 and name hn )(resid 134 and name ha ) 3.2 0.0 5.0 assign(resid 135 and name hn )(resid 136 and name hn ) 0.0 0.0 2.7 assign(resid 136 and name hn )(resid 135 and name ha ) 3.2 0.0 5.0 assign(resid 136 and name hn )(resid 137 and name hn ) 0.0 0.0 2.7 assign(resid 137 and name hn )(resid 136 and name ha ) 3.2 0.0 5.0 assign(resid 137 and name hn )(resid 138 and name hn ) 0.0 0.0 2.7 assign(resid 138 and name hn )(resid 137 and name ha ) 3.2 0.0 5.0 !! Medium-range (1<|i-j|<=5; n=67) assign(resid 59 and name hn )(resid 57 and name ha ) 0.0 0.0 4.0 assign(resid 62 and name hd1+ )(resid 66 and name hb1 ) 0.0 0.0 4.8 assign(resid 62 and name hd1+ )(resid 66 and name hb2 ) 0.0 0.0 4.3 assign(resid 63 and name hn )(resid 66 and name hb2 ) 0.0 0.0 3.5 assign(resid 63 and name hn )(resid 66 and name hn ) 0.0 0.0 4.0 assign(resid 63 and name hn )(resid 67 and name hd1+ ) 0.0 0.0 5.3 assign(resid 63 and name hn )(resid 67 and name hd2+ ) 0.0 0.0 5.8 assign(resid 67 and name hd2+ )(resid 71 and name he3 ) 0.0 0.0 4.8 assign(resid 67 and name hn )(resid 64 and name ha ) 0.0 0.0 4.0 assign(resid 71 and name he1 )(resid 73 and name hd1+ ) 0.0 0.0 4.8 assign(resid 71 and name he1 )(resid 73 and name hn ) 0.0 0.0 4.0 assign(resid 71 and name hn )(resid 67 and name hb+ ) 0.0 0.0 4.3 assign(resid 75 and name hg2+ )(resid 71 and name hz2 ) 0.0 0.0 4.0 assign(resid 75 and name hg2+ )(resid 73 and name hd1+ ) 0.0 0.0 4.3 assign(resid 75 and name hn )(resid 71 and name he1 ) 0.0 0.0 4.5 assign(resid 75 and name hn )(resid 73 and name ha ) 0.0 0.0 4.0 assign(resid 75 and name hn )(resid 73 and name hb+ ) 0.0 0.0 3.5 assign(resid 75 and name hn )(resid 73 and name hd1+ ) 0.0 0.0 5.3 assign(resid 77 and name hn )(resid 75 and name hb ) 0.0 0.0 3.2 assign(resid 87 and name hn )(resid 83 and name hb+ ) 0.0 0.0 4.0 assign(resid 87 and name hn )(resid 83 and name hn ) 0.0 0.0 4.0 assign(resid 92 and name hn )(resid 96 and name hb ) 0.0 0.0 4.0 assign(resid 92 and name hn )(resid 96 and name hn ) 0.0 0.0 4.0 assign(resid 94 and name hn )(resid 92 and name hb+ ) 0.0 0.0 4.0 assign(resid 95 and name ha2 )(resid 91 and name hg1+ ) 0.0 0.0 4.0 assign(resid 95 and name hn )(resid 91 and name hg1+ ) 0.0 0.0 4.3 assign(resid 95 and name hn )(resid 92 and name hb+ ) 0.0 0.0 4.8 assign(resid 95 and name hn )(resid 93 and name ha ) 0.0 0.0 3.6 assign(resid 96 and name hb )(resid 92 and name hb+ ) 0.0 0.0 4.3 assign(resid 96 and name hb )(resid 98 and name he1 ) 0.0 0.0 3.2 assign(resid 96 and name hg2+ )(resid 98 and name he1 ) 0.0 0.0 4.0 assign(resid 96 and name hn )(resid 92 and name hb+ ) 0.0 0.0 4.0 assign(resid 96 and name hn )(resid 98 and name he1 ) 0.0 0.0 4.5 assign(resid 101 and name hn )(resid 104 and name hb+ ) 0.0 0.0 4.3 assign(resid 102 and name ha )(resid 105 and name hb+ ) 0.0 0.0 3.5 assign(resid 104 and name hn )(resid 101 and name hn ) 0.0 0.0 4.0 assign(resid 105 and name hn )(resid 102 and name ha ) 0.0 0.0 3.6 assign(resid 106 and name hn )(resid 102 and name ha ) 0.0 0.0 4.5 assign(resid 106 and name hn )(resid 103 and name ha ) 0.0 0.0 3.6 assign(resid 107 and name hb+ )(resid 109 and name hd2 ) 0.0 0.0 4.3 assign(resid 107 and name hn )(resid 104 and name ha ) 0.0 0.0 4.0 assign(resid 108 and name hn )(resid 106 and name ha ) 0.0 0.0 3.6 assign(resid 109 and name hn )(resid 105 and name ha ) 0.0 0.0 3.6 assign(resid 113 and name hn )(resid 111 and name ha ) 0.0 0.0 4.0 assign(resid 116 and name hn )(resid 113 and name ha ) 0.0 0.0 3.6 assign(resid 116 and name hn )(resid 114 and name ha ) 0.0 0.0 4.0 assign(resid 127 and name hd2+ )(resid 125 and name hg2+ ) 0.0 0.0 5.6 assign(resid 128 and name ha2 )(resid 131 and name hb+ ) 0.0 0.0 3.5 assign(resid 128 and name hn )(resid 126 and name ha ) 0.0 0.0 3.5 assign(resid 128 and name hn )(resid 126 and name hb+ ) 0.0 0.0 4.0 assign(resid 131 and name hn )(resid 128 and name ha2 ) 0.0 0.0 3.6 assign(resid 132 and name ha )(resid 135 and name hb2 ) 0.0 0.0 3.5 assign(resid 132 and name ha )(resid 135 and name hd1+ ) 0.0 0.0 4.3 assign(resid 132 and name hn )(resid 128 and name ha2 ) 0.0 0.0 4.5 assign(resid 132 and name hn )(resid 129 and name ha ) 0.0 0.0 3.6 assign(resid 133 and name ha )(resid 136 and name hb+ ) 0.0 0.0 4.0 assign(resid 133 and name hn )(resid 129 and name ha ) 0.0 0.0 4.5 assign(resid 133 and name hn )(resid 130 and name ha ) 0.0 0.0 3.6 assign(resid 134 and name ha )(resid 137 and name hd1+ ) 0.0 0.0 4.0 assign(resid 134 and name hn )(resid 130 and name ha ) 0.0 0.0 4.5 assign(resid 134 and name hn )(resid 131 and name ha ) 0.0 0.0 3.6 assign(resid 135 and name hn )(resid 131 and name ha ) 0.0 0.0 4.5 assign(resid 135 and name hn )(resid 132 and name ha ) 0.0 0.0 3.6 assign(resid 136 and name hn )(resid 132 and name ha ) 0.0 0.0 4.5 assign(resid 136 and name hn )(resid 133 and name ha ) 0.0 0.0 3.6 assign(resid 137 and name hn )(resid 134 and name ha ) 0.0 0.0 3.6 assign(resid 138 and name hn )(resid 135 and name ha ) 0.0 0.0 3.6 !! Long-range (|i-j|>5; n=172) assign(resid 50 and name hn )(resid 65 and name hb+ ) 0.0 0.0 4.8 assign(resid 50 and name hn )(resid 66 and name ha ) 0.0 0.0 3.6 assign(resid 50 and name hn )(resid 66 and name hb1 ) 0.0 0.0 4.5 assign(resid 52 and name hd2+ )(resid 66 and name hb1 ) 0.0 0.0 4.8 assign(resid 59 and name ha )(resid 137 and name hd1+ ) 0.0 0.0 4.3 assign(resid 59 and name hn )(resid 137 and name hd1+ ) 0.0 0.0 4.8 assign(resid 59 and name hn )(resid 137 and name hd2+ ) 0.0 0.0 4.3 assign(resid 60 and name he21 )(resid 137 and name hd2+ ) 0.0 0.0 5.3 assign(resid 60 and name he21 )(resid 52 and name hb+ ) 0.0 0.0 4.3 assign(resid 60 and name he21 )(resid 52 and name hd1+ ) 0.0 0.0 4.8 assign(resid 60 and name he21 )(resid 55 and name hb+ ) 0.0 0.0 4.8 assign(resid 60 and name he21 )(resid 55 and name hd1 ) 0.0 0.0 4.5 assign(resid 60 and name he22 )(resid 52 and name hb+ ) 0.0 0.0 4.3 assign(resid 60 and name he22 )(resid 52 and name hd1+ ) 0.0 0.0 4.8 assign(resid 60 and name he22 )(resid 55 and name hb+ ) 0.0 0.0 5.3 assign(resid 60 and name he22 )(resid 55 and name hd1 ) 0.0 0.0 5.0 assign(resid 61 and name ha )(resid 79 and name ha ) 0.0 0.0 2.7 assign(resid 61 and name ha )(resid 79 and name hg2+ ) 0.0 0.0 3.5 assign(resid 61 and name hn )(resid 79 and name hg2+ ) 0.0 0.0 5.3 assign(resid 62 and name hg2+ )(resid 71 and name hz3 ) 0.0 0.0 3.5 assign(resid 62 and name hn )(resid 78 and name hn ) 0.0 0.0 4.0 assign(resid 62 and name hn )(resid 79 and name ha ) 0.0 0.0 3.6 assign(resid 62 and name hn )(resid 79 and name hg2+ ) 0.0 0.0 4.3 assign(resid 63 and name hn )(resid 71 and name hz3 ) 0.0 0.0 4.0 assign(resid 64 and name hn )(resid 77 and name ha ) 0.0 0.0 3.6 assign(resid 64 and name hn )(resid 77 and name hb1 ) 0.0 0.0 4.0 assign(resid 64 and name hn )(resid 77 and name hb2 ) 0.0 0.0 4.5 assign(resid 66 and name hd21 )(resid 50 and name hb ) 0.0 0.0 3.5 assign(resid 66 and name hd22 )(resid 50 and name hb ) 0.0 0.0 4.0 assign(resid 66 and name hd22 )(resid 50 and name hg1+ ) 0.0 0.0 4.8 assign(resid 71 and name he1 )(resid 64 and name ha ) 0.0 0.0 4.5 assign(resid 71 and name he1 )(resid 64 and name hb+ ) 0.0 0.0 4.8 assign(resid 71 and name he1 )(resid 64 and name hg+ ) 0.0 0.0 5.3 assign(resid 71 and name he1 )(resid 76 and name ha ) 0.0 0.0 2.7 assign(resid 73 and name ha )(resid 116 and name ha ) 0.0 0.0 2.7 assign(resid 74 and name hn )(resid 115 and name hb ) 0.0 0.0 3.5 assign(resid 74 and name hn )(resid 116 and name ha ) 0.0 0.0 4.0 assign(resid 74 and name hn )(resid 117 and name hn ) 0.0 0.0 4.0 assign(resid 75 and name hg1+ )(resid 92 and name hb+ ) 0.0 0.0 4.3 assign(resid 75 and name hg2+ )(resid 90 and name he2 ) 0.0 0.0 3.2 assign(resid 75 and name hg2+ )(resid 90 and name hz ) 0.0 0.0 3.5 assign(resid 75 and name hn )(resid 115 and name hb ) 0.0 0.0 4.0 assign(resid 75 and name hn )(resid 115 and name hg2+ ) 0.0 0.0 4.3 assign(resid 76 and name hn )(resid 93 and name hg+ ) 0.0 0.0 4.8 assign(resid 77 and name ha )(resid 63 and name ha ) 0.0 0.0 2.7 assign(resid 77 and name hn )(resid 93 and name hd1 ) 0.0 0.0 4.0 assign(resid 77 and name hn )(resid 93 and name hd2 ) 0.0 0.0 4.0 assign(resid 77 and name hn )(resid 93 and name hg+ ) 0.0 0.0 4.3 assign(resid 78 and name ha1 )(resid 71 and name hz2 ) 0.0 0.0 4.0 assign(resid 78 and name ha1 )(resid 90 and name hz ) 0.0 0.0 4.0 assign(resid 78 and name hn )(resid 62 and name hg2+ ) 0.0 0.0 5.3 assign(resid 78 and name hn )(resid 63 and name ha ) 0.0 0.0 3.6 assign(resid 78 and name hn )(resid 63 and name hb+ ) 0.0 0.0 4.8 assign(resid 78 and name hn )(resid 90 and name he1 ) 0.0 0.0 4.0 assign(resid 78 and name hn )(resid 90 and name hz ) 0.0 0.0 4.0 assign(resid 79 and name hb )(resid 91 and name hb ) 0.0 0.0 2.7 assign(resid 79 and name hb )(resid 91 and name hg1+ ) 0.0 0.0 4.3 assign(resid 79 and name hn )(resid 90 and name hz ) 0.0 0.0 5.0 assign(resid 79 and name hn )(resid 91 and name hn ) 0.0 0.0 3.6 assign(resid 79 and name hn 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