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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645719 |
6pvt   |
30646 | cing | 1-original | 5 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 9: D_1000243177_mr_P1.xplor-nih.V1 !! Intermolecular NOEs for BM2 !! NOE distances obtained from 13C-19F REDOR and 19F-19F CODEX !! numbers specify: distance, lower error, upper error ! F20-X contacts !=====================================================================A-B assign (resid 20 and name HZ and segid A) (resid 16 and name CB and segid B) 6.2 1.5 2.4 assign (resid 20 and name HZ and segid A) (resid 16 and name CB and segid B) 6.3 1.5 2.7 assign (resid 20 and name HZ and segid A) (resid 18 and name CD2 and segid B) 7.3 1.2 1.5 assign (resid 20 and name HZ and segid A) (resid 18 and (name CG or name CD1) and segid B) 5.6 1.0 1.2 assign (resid 20 and name HZ and segid A) (resid 18 and name CB and segid B) 5.6 1.0 1.0 assign (resid 20 and name HZ and segid A) (resid 18 and name CA and segid B) 6.3 1.2 1.8 assign (resid 20 and name HZ and segid A) (resid 19 and name CA and segid B) 7.0 2.4 4.0 assign (resid 20 and name HZ and segid A) (resid 19 and name CD2 and segid B) 5.4 1.5 2.1 assign (resid 20 and name HZ and segid A) (resid 21 and name CA and segid B) 7.5 1.0 1.5 assign (resid 20 and name HZ and segid A) (resid 21 and name CB and segid B) 6.6 2.0 2.0 assign (resid 20 and name HZ and segid A) (resid 22 and name CA and segid B) 6.5 1.5 2.4 assign (resid 20 and name HZ and segid A) (resid 22 and name CB and segid B) 7.6 1.2 1.2 assign (resid 20 and name HZ and segid A) (resid 23 and name CG and segid B) 6.1 1.0 1.0 assign (resid 20 and name HZ and segid A) (resid 23 and name CE3 and segid B) 16.4 8.0 8.0 assign (resid 20 and name HZ and segid A) (resid 23 and name CH2 and segid B) 16.4 8.0 8.0 assign (resid 20 and name HZ and segid A) (resid 23 and name CZ3 and segid B) 16.4 8.0 8.0 !=====================================================================B-C assign (resid 20 and name HZ and segid B) (resid 16 and name CB and segid C) 6.2 1.5 2.4 assign (resid 20 and name HZ and segid B) (resid 16 and name CB and segid C) 6.3 1.5 2.7 assign (resid 20 and name HZ and segid B) (resid 18 and name CD2 and segid C) 7.3 1.2 1.5 assign (resid 20 and name HZ and segid B) (resid 18 and (name CG or name CD1) and segid C) 5.6 1.0 1.2 assign (resid 20 and name HZ and segid B) (resid 18 and name CB and segid C) 5.6 1.0 1.0 assign (resid 20 and name HZ and segid B) (resid 18 and name CA and segid C) 6.3 1.2 1.8 assign (resid 20 and name HZ and segid B) (resid 19 and name CA and segid C) 7.0 2.4 4.0 assign (resid 20 and name HZ and segid B) (resid 19 and name CD2 and segid C) 5.4 1.5 2.1 assign (resid 20 and name HZ and segid B) (resid 21 and name CA and segid C) 7.5 1.0 1.5 assign (resid 20 and name HZ and segid B) (resid 21 and name CB and segid C) 6.6 2.0 2.0 assign (resid 20 and name HZ and segid B) (resid 22 and name CA and segid C) 6.5 1.5 2.4 assign (resid 20 and name HZ and segid B) (resid 22 and name CB and segid C) 7.6 1.2 1.2 assign (resid 20 and name HZ and segid B) (resid 23 and name CG and segid C) 6.1 1.0 1.0 assign (resid 20 and name HZ and segid B) (resid 23 and name CE3 and segid C) 16.4 8.0 8.0 assign (resid 20 and name HZ and segid B) (resid 23 and name CH2 and segid C) 16.4 8.0 8.0 assign (resid 20 and name HZ and segid B) (resid 23 and name CZ3 and segid C) 16.4 8.0 8.0 !=====================================================================C-D assign (resid 20 and name HZ and segid C) (resid 16 and name CB and segid D) 6.2 1.5 2.4 assign (resid 20 and name HZ and segid C) (resid 16 and name CB and segid D) 6.3 1.5 2.7 assign (resid 20 and name HZ and segid C) (resid 18 and name CD2 and segid D) 7.3 1.2 1.5 assign (resid 20 and name HZ and segid C) (resid 18 and (name CG or name CD1) and segid D) 5.6 1.0 1.2 assign (resid 20 and name HZ and segid C) (resid 18 and name CB and segid D) 5.6 1.0 1.0 assign (resid 20 and name HZ and segid C) (resid 18 and name CA and segid D) 6.3 1.2 1.8 assign (resid 20 and name HZ and segid C) (resid 19 and name CA and segid D) 7.0 2.4 4.0 assign (resid 20 and name HZ and segid C) (resid 19 and name CD2 and segid D) 5.4 1.5 2.1 assign (resid 20 and name HZ and segid C) (resid 21 and name CA and segid D) 7.5 1.0 1.5 assign (resid 20 and name HZ and segid C) (resid 21 and name CB and segid D) 6.6 2.0 2.0 assign (resid 20 and name HZ and segid C) (resid 22 and name CA and segid D) 6.5 1.5 2.4 assign (resid 20 and name HZ and segid C) (resid 22 and name CB and segid D) 7.6 1.2 1.2 assign (resid 20 and name HZ and segid C) (resid 23 and name CG and segid D) 6.1 1.0 1.0 assign (resid 20 and name HZ and segid C) (resid 23 and name CE3 and segid D) 16.4 8.0 8.0 assign (resid 20 and name HZ and segid C) (resid 23 and name CH2 and segid D) 16.4 8.0 8.0 assign (resid 20 and name HZ and segid C) (resid 23 and name CZ3 and segid D) 16.4 8.0 8.0 !=====================================================================D-A assign (resid 20 and name HZ and segid D) (resid 16 and name CB and segid A) 6.2 1.5 2.4 assign (resid 20 and name HZ and segid D) (resid 16 and name CB and segid A) 6.3 1.5 2.7 assign (resid 20 and name HZ and segid D) (resid 18 and name CD2 and segid A) 7.3 1.2 1.5 assign (resid 20 and name HZ and segid D) (resid 18 and (name CG or name CD1) and segid A) 5.6 1.0 1.2 assign (resid 20 and name HZ and segid D) (resid 18 and name CB and segid A) 5.6 1.0 1.0 assign (resid 20 and name HZ and segid D) (resid 18 and name CA and segid A) 6.3 1.2 1.8 assign (resid 20 and name HZ and segid D) (resid 19 and name CA and segid A) 7.0 2.4 4.0 assign (resid 20 and name HZ and segid D) (resid 19 and name CD2 and segid A) 5.4 1.5 2.1 assign (resid 20 and name HZ and segid D) (resid 21 and name CA and segid A) 7.5 1.0 1.5 assign (resid 20 and name HZ and segid D) (resid 21 and name CB and segid A) 6.6 2.0 2.0 assign (resid 20 and name HZ and segid D) (resid 22 and name CA and segid A) 6.5 1.5 2.4 assign (resid 20 and name HZ and segid D) (resid 22 and name CB and segid A) 7.6 1.2 1.2 assign (resid 20 and name HZ and segid D) (resid 23 and name CG and segid A) 6.1 1.0 1.0 assign (resid 20 and name HZ and segid D) (resid 23 and name CE3 and segid A) 16.4 8.0 8.0 assign (resid 20 and name HZ and segid D) (resid 23 and name CH2 and segid A) 16.4 8.0 8.0 assign (resid 20 and name HZ and segid D) (resid 23 and name CZ3 and segid A) 16.4 8.0 8.0 ! F5-X contacts !=====================================================================A-B assign (resid 5 and name HZ and segid A) (resid 4 and name CA and segid B) 16.9 10.0 10.0 assign (resid 5 and name HZ and segid A) (resid 4 and name CD and segid B) 16.4 10.0 10.0 assign (resid 5 and name HZ and segid A) (resid 7 and name CD1 and segid B) 5.5 1.0 1.0 assign (resid 5 and name HZ and segid A) (resid 7 and name CG2 and segid B) 6.0 1.0 1.0 assign (resid 5 and name HZ and segid A) (resid 7 and name CG1 and segid B) 5.8 1.0 1.0 assign (resid 5 and name HZ and segid A) (resid 7 and name CB and segid B) 6.0 1.0 1.0 assign (resid 5 and name HZ and segid A) (resid 7 and name CA and segid B) 5.9 1.5 1.5 !=====================================================================B-C assign (resid 5 and name HZ and segid B) (resid 4 and name CA and segid C) 16.9 10.0 10.0 assign (resid 5 and name HZ and segid B) (resid 4 and name CD and segid C) 16.4 10.0 10.0 assign (resid 5 and name HZ and segid B) (resid 7 and name CD1 and segid C) 5.5 1.0 1.0 assign (resid 5 and name HZ and segid B) (resid 7 and name CG2 and segid C) 6.0 1.0 1.0 assign (resid 5 and name HZ and segid B) (resid 7 and name CG1 and segid C) 5.8 1.0 1.0 assign (resid 5 and name HZ and segid B) (resid 7 and name CB and segid C) 6.0 1.0 1.0 assign (resid 5 and name HZ and segid B) (resid 7 and name CA and segid C) 5.9 1.5 1.5 !=====================================================================C-D assign (resid 5 and name HZ and segid C) (resid 4 and name CA and segid D) 16.9 10.0 10.0 assign (resid 5 and name HZ and segid C) (resid 4 and name CD and segid D) 16.4 10.0 10.0 assign (resid 5 and name HZ and segid C) (resid 7 and name CD1 and segid D) 5.5 1.0 1.0 assign (resid 5 and name HZ and segid C) (resid 7 and name CG2 and segid D) 6.0 1.0 1.0 assign (resid 5 and name HZ and segid C) (resid 7 and name CG1 and segid D) 5.8 1.0 1.0 assign (resid 5 and name HZ and segid C) (resid 7 and name CB and segid D) 6.0 1.0 1.0 assign (resid 5 and name HZ and segid C) (resid 7 and name CA and segid D) 5.9 1.5 1.5 !=====================================================================D-A assign (resid 5 and name HZ and segid D) (resid 4 and name CA and segid A) 16.9 10.0 10.0 assign (resid 5 and name HZ and segid D) (resid 4 and name CD and segid A) 16.4 10.0 10.0 assign (resid 5 and name HZ and segid D) (resid 7 and name CD1 and segid A) 5.5 1.0 1.0 assign (resid 5 and name HZ and segid D) (resid 7 and name CG2 and segid A) 6.0 1.0 1.0 assign (resid 5 and name HZ and segid D) (resid 7 and name CG1 and segid A) 5.8 1.0 1.0 assign (resid 5 and name HZ and segid D) (resid 7 and name CB and segid A) 6.0 1.0 1.0 assign (resid 5 and name HZ and segid D) (resid 7 and name CA and segid A) 5.9 1.5 1.5 ! CODEX restraints !=====================================================================W23 assign (resid 23 and name HZ3 and segid A) (resid 23 and name HZ3 and segid B) 10.5 2.0 2.0 assign (resid 23 and name HZ3 and segid A) (resid 23 and name HZ3 and segid C) 14.8 2.0 2.0 assign (resid 23 and name HZ3 and segid B) (resid 23 and name HZ3 and segid C) 10.5 2.0 2.0 assign (resid 23 and name HZ3 and segid B) (resid 23 and name HZ3 and segid D) 14.8 2.0 2.0 assign (resid 23 and name HZ3 and segid C) (resid 23 and name HZ3 and segid D) 10.5 2.0 2.0 assign (resid 23 and name HZ3 and segid D) (resid 23 and name HZ3 and segid A) 10.5 2.0 2.0 !=====================================================================F5 assign (resid 5 and name HZ and segid A) (resid 5 and name HZ and segid B) 9.4 2.0 5.0 assign (resid 5 and name HZ and segid B) (resid 5 and name HZ and segid C) 9.4 2.0 5.0 assign (resid 5 and name HZ and segid C) (resid 5 and name HZ and segid D) 9.4 2.0 5.0 assign (resid 5 and name HZ and segid D) (resid 5 and name HZ and segid A) 9.4 2.0 5.0
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