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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16985 |
2b3a   |
6894 | cing | 1-original | 3 | XPLOR/CNS | distance | hydrogen bond | simple |
REMARKS Determination of H-bonds from H --> D exchange experiments REMARKS for RalGEF-RBD Dataset: RALN812 2 to 74 REMARKS 1st, 2nd, 3rd value: equilibrium value, - error, + error REMARKS pseudo H-bonds in a-helical regions: N-H --> O=C 1.6 - 2.3 A , REMARKS N --> O=C 2.5 - 3.2 A. REMARKS pseudo H-bonds in b-pleated regions: N-H --> O=C 1.6 - 2.3 A , REMARKS N --> O=C 2.5 - 3.2 A. REMARKS Matthias, 02.02.98 REMARKS Empfehlung von M.Nilges: H-O 1.7 - 2.2; N-O 2.7 - 3.2 REMARKS Modifiziert von Wolfram 18.2.05 ! Helix a1 raus wolfram ! assign (resid 37 and name O ) (resid 40 and name HN ) 1.9 0.3 0.4 ! assign (resid 37 and name O ) (resid 40 and name N ) 2.9 0.6 0.3 assign (resid 37 and name O ) (resid 41 and name HN ) 1.9 0.3 0.4 assign (resid 37 and name O ) (resid 41 and name N ) 2.9 0.6 0.3 assign (resid 38 and name O ) (resid 42 and name HN ) 1.9 0.3 0.4 assign (resid 38 and name O ) (resid 42 and name N ) 2.9 0.6 0.3 assign (resid 39 and name O ) (resid 43 and name HN ) 1.9 0.3 0.4 assign (resid 39 and name O ) (resid 43 and name N ) 2.9 0.6 0.3 assign (resid 40 and name O ) (resid 44 and name HN ) 1.9 0.3 0.4 assign (resid 40 and name O ) (resid 44 and name N ) 2.9 0.6 0.3 assign (resid 41 and name O ) (resid 45 and name HN ) 1.9 0.3 0.4 assign (resid 41 and name O ) (resid 45 and name N ) 2.9 0.6 0.3 assign (resid 42 and name O ) (resid 46 and name HN ) 1.9 0.3 0.4 assign (resid 42 and name O ) (resid 46 and name N ) 2.9 0.6 0.3 assign (resid 43 and name O ) (resid 47 and name HN ) 1.9 0.3 0.4 assign (resid 43 and name O ) (resid 47 and name N ) 2.9 0.6 0.3 assign (resid 44 and name O ) (resid 48 and name HN ) 1.9 0.3 0.4 assign (resid 44 and name O ) (resid 48 and name N ) 2.9 0.6 0.3 ! Helix a2 (3 10 Helix ?) ! assign (resid 76 and name O ) (resid 79 and name HN ) 1.9 0.3 0.4 ! assign (resid 76 and name O ) (resid 79 and name N ) 2.9 0.6 0.3 ! assign (resid 77 and name O ) (resid 80 and name HN ) 1.9 0.3 0.4 ! assign (resid 77 and name O ) (resid 80 and name N ) 2.9 0.6 0.3 ! Faltblatt-Region b4 || b3 || b5 || b1 || b2 ! b1 || b2 assign (resid 32 and name HN ) (resid 13 and name O ) 1.9 0.3 0.4 assign (resid 32 and name N ) (resid 13 and name O ) 2.9 0.6 0.3 assign (resid 15 and name HN ) (resid 30 and name O ) 1.9 0.3 0.4 assign (resid 15 and name N ) (resid 30 and name O ) 2.9 0.6 0.3 assign (resid 30 and name HN ) (resid 15 and name O ) 1.9 0.3 0.4 assign (resid 30 and name N ) (resid 15 and name O ) 2.9 0.6 0.3 assign (resid 17 and name HN ) (resid 28 and name O ) 1.9 0.3 0.4 assign (resid 17 and name N ) (resid 28 and name O ) 2.9 0.6 0.3 assign (resid 28 and name HN ) (resid 17 and name O ) 1.9 0.3 0.4 assign (resid 28 and name N ) (resid 17 and name O ) 2.9 0.6 0.3 ! b1 || b5 assign (resid 16 and name HN ) (resid 89 and name O ) 1.9 0.3 0.4 assign (resid 16 and name N ) (resid 89 and name O ) 2.9 0.6 0.3 assign (resid 91 and name HN ) (resid 16 and name O ) 1.9 0.3 0.4 assign (resid 91 and name N ) (resid 16 and name O ) 2.9 0.6 0.3 assign (resid 18 and name HN ) (resid 91 and name O ) 1.9 0.3 0.4 assign (resid 18 and name N ) (resid 91 and name O ) 2.9 0.6 0.3 assign (resid 93 and name HN ) (resid 18 and name O ) 1.9 0.3 0.4 assign (resid 93 and name N ) (resid 18 and name O ) 2.9 0.6 0.3 ! b3 || b5 assign (resid 90 and name HN ) (resid 64 and name O ) 1.9 0.3 0.4 assign (resid 90 and name N ) (resid 64 and name O ) 2.9 0.6 0.3 assign (resid 64 and name HN ) (resid 90 and name O ) 1.9 0.3 0.4 assign (resid 64 and name N ) (resid 90 and name O ) 2.9 0.6 0.3 assign (resid 92 and name HN ) (resid 62 and name O ) 1.9 0.3 0.4 assign (resid 92 and name N ) (resid 62 and name O ) 2.9 0.6 0.3 assign (resid 62 and name HN ) (resid 92 and name O ) 1.9 0.3 0.4 assign (resid 62 and name N ) (resid 92 and name O ) 2.9 0.6 0.3 assign (resid 94 and name HN ) (resid 60 and name O ) 1.9 0.3 0.4 assign (resid 94 and name N ) (resid 60 and name O ) 2.9 0.6 0.3 assign (resid 60 and name HN ) (resid 94 and name O ) 1.9 0.3 0.4 assign (resid 60 and name N ) (resid 94 and name O ) 2.9 0.6 0.3 ! b3 || b4 !assign (resid 65 and name HN ) (resid 69 and name O ) 1.9 0.3 0.4 !assign (resid 65 and name N ) (resid 69 and name O ) 2.9 0.6 0.3 assign (resid 71 and name HN ) (resid 63 and name O ) 1.9 0.3 0.4 assign (resid 71 and name N ) (resid 63 and name O ) 2.9 0.6 0.3 assign (resid 63 and name HN ) (resid 71 and name O ) 1.9 0.3 0.4 assign (resid 63 and name N ) (resid 71 and name O ) 2.9 0.6 0.3 ! assign (resid 73 and name HN ) (resid 61 and name O ) 1.9 0.3 0.4 ! assign (resid 73 and name N ) (resid 61 and name O ) 2.9 0.6 0.3 ! assign (resid 61 and name HN ) (resid 73 and name O ) 1.9 0.3 0.4 ! assign (resid 61 and name N ) (resid 73 and name O ) 2.9 0.6 0.3 ! Turns etc. ! assign (resid 59 and name HN ) (resid 75 and name OE2 ) 2.1 0.3 0.4 ! assign (resid 59 and name N ) (resid 75 and name OE2 ) 3.1 0.6 0.3 ! assign (resid 36 and name HN ) (resid 33 and name O ) 2.3 0.3 0.4 ! assign (resid 36 and name N ) (resid 33 and name O ) 3.3 0.6 0.3 ! Rest ! assign (resid 33 and name HN ) (resid and name O ) 1.9 0.3 0.4 ! assign (resid 33 and name N ) (resid and name O ) 2.9 0.6 0.3
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