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 |
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12889 |
1tr4   |
5898 | cing | 1-original | 8 | XPLOR/CNS | distance | hydrogen bond | simple |
!------------------------------------------------------------------------------- !H-bonds constraints for helix region !------------------------------------------------------------------------------- assign (resid 8 and name O )(resid 12 and name N ) 3.3 0.8 0.2 !helix 1 assign (resid 8 and name O )(resid 12 and name HN ) 2.3 0.8 0.2 !helix 1 assign (resid 9 and name O )(resid 13 and name N ) 3.3 0.8 0.2 !helix 1 assign (resid 9 and name O )(resid 13 and name HN ) 2.3 0.8 0.2 !helix 1 assign (resid 10 and name O )(resid 14 and name N ) 3.3 0.8 0.2 !helix 1 assign (resid 10 and name O )(resid 14 and name HN ) 2.3 0.8 0.2 !helix 1 assign (resid 11 and name O )(resid 15 and name N ) 3.3 0.8 0.2 !helix 1 assign (resid 11 and name O )(resid 15 and name HN ) 2.3 0.8 0.2 !helix 1 assign (resid 12 and name O )(resid 16 and name N ) 3.3 0.8 0.2 !helix 1 assign (resid 12 and name O )(resid 16 and name HN ) 2.3 0.8 0.2 !helix 1 assign (resid 19 and name O )(resid 23 and name N ) 3.3 0.8 0.2 !helix 2 assign (resid 19 and name O )(resid 23 and name HN ) 2.3 0.8 0.2 !helix 2 assign (resid 20 and name O )(resid 24 and name N ) 3.3 0.8 0.2 !helix 2 assign (resid 20 and name O )(resid 24 and name HN ) 2.3 0.8 0.2 !helix 2 assign (resid 21 and name O )(resid 25 and name N ) 3.3 0.8 0.2 !helix 2 assign (resid 21 and name O )(resid 25 and name HN ) 2.3 0.8 0.2 !helix 2 assign (resid 22 and name O )(resid 26 and name N ) 3.3 0.8 0.2 !helix 2 assign (resid 22 and name O )(resid 26 and name HN ) 2.3 0.8 0.2 !helix 2 assign (resid 23 and name O )(resid 27 and name N ) 3.3 0.8 0.2 !helix 2 assign (resid 23 and name O )(resid 27 and name HN ) 2.3 0.8 0.2 !helix 2 assign (resid 43 and name O )(resid 47 and name N ) 3.3 0.8 0.2 !helix 3 assign (resid 43 and name O )(resid 47 and name HN ) 2.3 0.8 0.2 !helix 3 assign (resid 44 and name O )(resid 48 and name N ) 3.3 0.8 0.2 !helix 3 assign (resid 44 and name O )(resid 48 and name HN ) 2.3 0.8 0.2 !helix 3 assign (resid 45 and name O )(resid 49 and name N ) 3.3 0.8 0.2 !helix 3 assign (resid 45 and name O )(resid 49 and name HN ) 2.3 0.8 0.2 !helix 3 assign (resid 53 and name O )(resid 57 and name N ) 3.3 0.8 0.2 !helix 4 assign (resid 53 and name O )(resid 57 and name HN ) 2.3 0.8 0.2 !helix 4 assign (resid 54 and name O )(resid 58 and name N ) 3.3 0.8 0.2 !helix 4 assign (resid 54 and name O )(resid 58 and name HN ) 2.3 0.8 0.2 !helix 4 assign (resid 55 and name O )(resid 59 and name N ) 3.3 0.8 0.2 !helix 4 assign (resid 55 and name O )(resid 59 and name HN ) 2.3 0.8 0.2 !helix 4 assign (resid 56 and name O )(resid 60 and name N ) 3.3 0.8 0.2 !helix 4 assign (resid 56 and name O )(resid 60 and name HN ) 2.3 0.8 0.2 !helix 4 assign (resid 57 and name O )(resid 61 and name N ) 3.3 0.8 0.2 !helix 4 assign (resid 57 and name O )(resid 61 and name HN ) 2.3 0.8 0.2 !helix 4 assign (resid 76 and name O )(resid 80 and name N ) 3.3 0.8 0.2 !helix 5 assign (resid 76 and name O )(resid 80 and name HN ) 2.3 0.8 0.2 !helix 5 assign (resid 77 and name O )(resid 81 and name N ) 3.3 0.8 0.2 !helix 5 assign (resid 77 and name O )(resid 81 and name HN ) 2.3 0.8 0.2 !helix 5 assign (resid 78 and name O )(resid 82 and name N ) 3.3 0.8 0.2 !helix 5 assign (resid 78 and name O )(resid 82 and name HN ) 2.3 0.8 0.2 !helix 5 assign (resid 86 and name O )(resid 90 and name N ) 3.3 0.8 0.2 !helix 6 assign (resid 86 and name O )(resid 90 and name HN ) 2.3 0.8 0.2 !helix 6 assign (resid 87 and name O )(resid 91 and name N ) 3.3 0.8 0.2 !helix 6 assign (resid 87 and name O )(resid 91 and name HN ) 2.3 0.8 0.2 !helix 6 assign (resid 88 and name O )(resid 92 and name N ) 3.3 0.8 0.2 !helix 6 assign (resid 88 and name O )(resid 92 and name HN ) 2.3 0.8 0.2 !helix 6 assign (resid 89 and name O )(resid 93 and name N ) 3.3 0.8 0.2 !helix 6 assign (resid 89 and name O )(resid 93 and name HN ) 2.3 0.8 0.2 !helix 6 assign (resid 90 and name O )(resid 94 and name N ) 3.3 0.8 0.2 !helix 6 assign (resid 90 and name O )(resid 94 and name HN ) 2.3 0.8 0.2 !helix 6 assign (resid 109 and name O )(resid 113 and name N ) 3.3 0.8 0.2 !helix 7 assign (resid 109 and name O )(resid 113 and name HN ) 2.3 0.8 0.2 !helix 7 assign (resid 110 and name O )(resid 114 and name N ) 3.3 0.8 0.2 !helix 7 assign (resid 110 and name O )(resid 114 and name HN ) 2.3 0.8 0.2 !helix 7 assign (resid 111 and name O )(resid 115 and name N ) 3.3 0.8 0.2 !helix 7 assign (resid 111 and name O )(resid 115 and name HN ) 2.3 0.8 0.2 !helix 7 assign (resid 119 and name O )(resid 123 and name N ) 3.3 0.8 0.2 !helix 8 assign (resid 119 and name O )(resid 123 and name HN ) 2.3 0.8 0.2 !helix 8 assign (resid 120 and name O )(resid 124 and name N ) 3.3 0.8 0.2 !helix 8 assign (resid 120 and name O )(resid 124 and name HN ) 2.3 0.8 0.2 !helix 8 assign (resid 121 and name O )(resid 125 and name N ) 3.3 0.8 0.2 !helix 8 assign (resid 121 and name O )(resid 125 and name HN ) 2.3 0.8 0.2 !helix 8 assign (resid 122 and name O )(resid 126 and name N ) 3.3 0.8 0.2 !helix 8 assign (resid 122 and name O )(resid 126 and name HN ) 2.3 0.8 0.2 !helix 8 assign (resid 142 and name O )(resid 146 and name N ) 3.3 0.8 0.2 !helix 9 assign (resid 142 and name O )(resid 146 and name HN ) 2.3 0.8 0.2 !helix 9 assign (resid 143 and name O )(resid 147 and name N ) 3.3 0.8 0.2 !helix 9 assign (resid 143 and name O )(resid 147 and name HN ) 2.3 0.8 0.2 !helix 9 assign (resid 144 and name O )(resid 148 and name N ) 3.3 0.8 0.2 !helix 9 assign (resid 144 and name O )(resid 148 and name HN ) 2.3 0.8 0.2 !helix 9 assign (resid 152 and name O )(resid 156 and name N ) 3.3 0.8 0.2 !helix 10 assign (resid 152 and name O )(resid 156 and name HN ) 2.3 0.8 0.2 !helix 10 assign (resid 153 and name O )(resid 157 and name N ) 3.3 0.8 0.2 !helix 10 assign (resid 153 and name O )(resid 157 and name HN ) 2.3 0.8 0.2 !helix 10 assign (resid 154 and name O )(resid 158 and name N ) 3.3 0.8 0.2 !helix 10 assign (resid 154 and name O )(resid 158 and name HN ) 2.3 0.8 0.2 !helix 10 assign (resid 155 and name O )(resid 159 and name N ) 3.3 0.8 0.2 !helix 10 assign (resid 155 and name O )(resid 159 and name HN ) 2.3 0.8 0.2 !helix 10 assign (resid 156 and name O )(resid 160 and name N ) 3.3 0.8 0.2 !helix 10 assign (resid 156 and name O )(resid 160 and name HN ) 2.3 0.8 0.2 !helix 10 assign (resid 175 and name O )(resid 179 and name N ) 3.3 0.8 0.2 !helix 11 assign (resid 175 and name O )(resid 179 and name HN ) 2.3 0.8 0.2 !helix 11 assign (resid 176 and name O )(resid 180 and name N ) 3.3 0.8 0.2 !helix 11 assign (resid 176 and name O )(resid 180 and name HN ) 2.3 0.8 0.2 !helix 11 assign (resid 177 and name O )(resid 181 and name N ) 3.3 0.8 0.2 !helix 11 assign (resid 177 and name O )(resid 181 and name HN ) 2.3 0.8 0.2 !helix 11 assign (resid 185 and name O )(resid 189 and name N ) 3.3 0.8 0.2 !helix 12 assign (resid 185 and name O )(resid 189 and name HN ) 2.3 0.8 0.2 !helix 12 assign (resid 186 and name O )(resid 190 and name N ) 3.3 0.8 0.2 !helix 12 assign (resid 186 and name O )(resid 190 and name HN ) 2.3 0.8 0.2 !helix 12 assign (resid 187 and name O )(resid 191 and name N ) 3.3 0.8 0.2 !helix 12 assign (resid 187 and name O )(resid 191 and name HN ) 2.3 0.8 0.2 !helix 12 assign (resid 188 and name O )(resid 192 and name N ) 3.3 0.8 0.2 !helix 12 assign (resid 188 and name O )(resid 192 and name HN ) 2.3 0.8 0.2 !helix 12 assign (resid 189 and name O )(resid 193 and name N ) 3.3 0.8 0.2 !helix 12 assign (resid 189 and name O )(resid 193 and name HN ) 2.3 0.8 0.2 !helix 12 assign (resid 208 and name O )(resid 212 and name N ) 3.3 0.8 0.2 !helix 13 assign (resid 208 and name O )(resid 212 and name HN ) 2.3 0.8 0.2 !helix 13 assign (resid 209 and name O )(resid 213 and name N ) 3.3 0.8 0.2 !helix 13 assign (resid 209 and name O )(resid 213 and name HN ) 2.3 0.8 0.2 !helix 13 assign (resid 210 and name O )(resid 214 and name N ) 3.3 0.8 0.2 !helix 13 assign (resid 210 and name O )(resid 214 and name HN ) 2.3 0.8 0.2 !helix 13 assign (resid 217 and name O )(resid 221 and name N ) 3.3 0.8 0.2 !helix 14 assign (resid 217 and name O )(resid 221 and name HN ) 2.3 0.8 0.2 !helix 14 assign (resid 218 and name O )(resid 222 and name N ) 3.3 0.8 0.2 !helix 14 assign (resid 218 and name O )(resid 222 and name HN ) 2.3 0.8 0.2 !helix 14 assign (resid 219 and name O )(resid 223 and name N ) 3.3 0.8 0.2 !helix 14 assign (resid 219 and name O )(resid 223 and name HN ) 2.3 0.8 0.2 !helix 14 !------------------------------------------------------------------------------------ !H-bond constraints for betasheet in the loop !------------------------------------------------------------------------------------ assign (resid 202 and name HN )(resid 206 and name O ) 3.3 0.8 0.2 ! assign (resid 202 and name N )(resid 206 and name O ) 2.3 0.8 0.2 ! assign (resid 138 and name O )(resid 170 and name N ) 3.3 0.8 0.2 ! assign (resid 138 and name O )(resid 170 and name HN ) 2.3 0.8 0.2 ! !------------------------------------------------------------------------------------ !H-bond constrainst for the side chain Histidine and Threonine !------------------------------------------------------------------------------------ assign (resid 42 and name N )(resid 45 and name ND1 ) 3.3 0.8 0.2 ! assign (resid 42 and name HN )(resid 45 and name ND1 ) 2.3 0.8 0.2 ! assign (resid 42 and name OG1 )(resid 45 and name N ) 3.3 0.8 0.2 ! assign (resid 42 and name OG1 )(resid 45 and name HN ) 2.3 0.8 0.2 ! assign (resid 42 and name OG1 )(resid 45 and name ND1 ) 3.3 0.8 0.2 ! assign (resid 42 and name HG1 )(resid 45 and name ND1 ) 2.3 0.8 0.2 ! assign (resid 45 and name NE2 )(resid 74 and name O ) 3.3 0.8 0.2 ! assign (resid 45 and name HE2 )(resid 74 and name O ) 2.3 0.8 0.2 ! assign (resid 75 and name N )(resid 78 and name ND1 ) 3.3 0.8 0.2 ! assign (resid 75 and name HN )(resid 78 and name ND1 ) 2.3 0.8 0.2 ! assign (resid 75 and name OG )(resid 78 and name N ) 3.3 0.8 0.2 ! assign (resid 75 and name OG )(resid 78 and name HN ) 2.3 0.8 0.2 ! assign (resid 75 and name OG )(resid 78 and name ND1 ) 3.3 0.8 0.2 ! assign (resid 75 and name HG )(resid 78 and name ND1 ) 2.3 0.8 0.2 ! assign (resid 78 and name NE2 )(resid 107 and name O ) 3.3 0.8 0.2 ! assign (resid 78 and name HE2 )(resid 107 and name O ) 2.3 0.8 0.2 ! assign (resid 108 and name N )(resid 111 and name ND1 ) 3.3 0.8 0.2 ! assign (resid 108 and name HN )(resid 111 and name ND1 ) 2.3 0.8 0.2 ! assign (resid 108 and name OG1 )(resid 111 and name N ) 3.3 0.8 0.2 ! assign (resid 108 and name OG1 )(resid 111 and name HN ) 2.3 0.8 0.2 ! assign (resid 108 and name OG1 )(resid 111 and name ND1 ) 3.3 0.8 0.2 ! assign (resid 108 and name HG1 )(resid 111 and name ND1 ) 2.3 0.8 0.2 ! assign (resid 111 and name NE2 )(resid 140 and name O ) 3.3 0.8 0.2 ! assign (resid 111 and name HE2 )(resid 140 and name O ) 2.3 0.8 0.2 ! assign (resid 141 and name N )(resid 144 and name ND1 ) 3.3 0.8 0.2 ! assign (resid 141 and name HN )(resid 144 and name ND1 ) 2.3 0.8 0.2 ! assign (resid 141 and name OG1 )(resid 144 and name N ) 3.3 0.8 0.2 ! assign (resid 141 and name OG1 )(resid 144 and name HN ) 2.3 0.8 0.2 ! assign (resid 141 and name OG1 )(resid 144 and name ND1 ) 3.3 0.8 0.2 ! assign (resid 141 and name HG1 )(resid 144 and name ND1 ) 2.3 0.8 0.2 ! assign (resid 144 and name NE2 )(resid 173 and name O ) 3.3 0.8 0.2 ! assign (resid 144 and name HE2 )(resid 173 and name O ) 2.3 0.8 0.2 ! assign (resid 174 and name N )(resid 177 and name ND1 ) 3.3 0.8 0.2 ! assign (resid 174 and name HN )(resid 177 and name ND1 ) 2.3 0.8 0.2 ! assign (resid 174 and name OG1 )(resid 177 and name N ) 3.3 0.8 0.2 ! assign (resid 174 and name OG1 )(resid 177 and name HN ) 2.3 0.8 0.2 ! assign (resid 174 and name OG1 )(resid 177 and name ND1 ) 3.3 0.8 0.2 ! assign (resid 174 and name HG1 )(resid 177 and name ND1 ) 2.3 0.8 0.2 ! assign (resid 177 and name NE2 )(resid 206 and name O ) 3.3 0.8 0.2 ! assign (resid 177 and name HE2 )(resid 206 and name O ) 2.3 0.8 0.2 !
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