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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623957 |
5oay   |
34153 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | simple |
!experimental NOEs. Upper bounds are: ! strong (Int >0.3) 3A; medium (Int > 0.1) 4A; weak (Int < 0.1) 5A !NOEs to methyl groups add on 0.5 A ! ! some genuine long range NOEs ! these not specified which methyl because not stereospecifically assigned ! (unless NOEs to both methyls) assign (resid 36 and name HD++) (resid 83 and name HB+ ) 4.5 2.7 0.0 assign (resid 40 and name HN ) (resid 46 and name HB+ ) 4.5 2.7 0.0 assign (resid 52 and name HN ) (resid 36 and name HD1+ ) 4.5 2.7 0.0 assign (resid 52 and name HN ) (resid 36 and name HD2+ ) 4.5 2.7 0.0 assign (resid 53 and name HN ) (resid 36 and name HD1+ ) 3.5 1.7 0.0 assign (resid 53 and name HN ) (resid 36 and name HD2+ ) 3.5 1.7 0.0 assign (resid 53 and name HA ) (resid 36 and name HD++ ) 4.5 2.7 0.0 assign (resid 53 and name HB+ ) (resid 36 and name HD1+ ) 4.0 2.2 0.0 assign (resid 53 and name HB+ ) (resid 36 and name HD2+ ) 4.0 2.2 0.0 assign (resid 50 and name HG2+) (resid 33 and name HB+ ) 3.5 1.7 0.0 assign (resid 50 and name HN ) (resid 35 and name HB+ ) 3.0 1.2 0.0 assign (resid 69 and name HE1 ) (resid 73 and name HG2+) 4.5 2.7 0.0 assign (resid 69 and name HZ2 ) (resid 73 and name HG2+) 4.5 2.7 0.0 assign (resid 70 and name HA ) (resid 75 and name HN ) 3.0 1.2 0.0 assign (resid 70 and name HB+ ) (resid 75 and name HN ) 3.5 1.7 0.0 !assign (resid 77 and name HN ) (resid 72 and name HB+ ) 4.0 2.2 0.0 !assign (resid 83 and name HN ) (resid 36 and name HN ) 3.0 1.2 0.0 assign (resid 83 and name HG+ ) (resid 36 and name HD++) 3.5 1.7 0.0 !assign (resid 36 and name HD++) (resid 65 and name HN ) 4.5 2.7 0.0 no !assign (resid 50 and name HG2+) (resid 41 and name HA+ ) 3.5 1.7 0.0 no !assign (resid 50 and name HG2+) (resid 93 and name HG+ ) 3.5 1.7 0.0 no ! more nice long range NOEs assign (resid 91 and name HA ) (resid 55 and name HD++) 5.5 3.7 0.0 assign (resid 91 and name HB+ ) (resid 55 and name HD++) 5.5 3.7 0.0 assign (resid 91 and name HB+ ) (resid 47 and name HD++) 5.5 3.7 0.0 assign (resid 90 and name HA ) (resid 46 and name HB+ ) 5.0 3.2 0.0 ! !sequential !N-N assign (resid 11 and name HN ) (resid 12 and name HN ) 3.0 1.2 0.0 assign (resid 12 and name HN ) (resid 13 and name HN ) 3.0 1.2 0.0 assign (resid 16 and name HN ) (resid 17 and name HN ) 3.0 1.2 0.0 assign (resid 21 and name HN ) (resid 22 and name HN ) 4.0 2.2 0.0 assign (resid 22 and name HN ) (resid 23 and name HN ) 4.0 2.2 0.0 assign (resid 23 and name HN ) (resid 24 and name HN ) 3.0 1.2 0.0 assign (resid 25 and name HN ) (resid 26 and name HN ) 3.0 1.2 0.0 assign (resid 26 and name HN ) (resid 27 and name HN ) 3.0 1.2 0.0 assign (resid 31 and name HN ) (resid 32 and name HN ) 3.0 1.2 0.0 assign (resid 32 and name HN ) (resid 33 and name HN ) 4.0 2.2 0.0 assign (resid 35 and name HN ) (resid 36 and name HN ) 3.0 1.2 0.0 assign (resid 46 and name HN ) (resid 47 and name HN ) 3.0 1.2 0.0 assign (resid 47 and name HN ) (resid 48 and name HN ) 3.0 1.2 0.0 assign (resid 48 and name HN ) (resid 49 and name HN ) 3.0 1.2 0.0 assign (resid 49 and name HN ) (resid 50 and name HN ) 3.0 1.2 0.0 assign (resid 50 and name HN ) (resid 51 and name HN ) 3.0 1.2 0.0 assign (resid 51 and name HN ) (resid 52 and name HN ) 3.0 1.2 0.0 assign (resid 52 and name HN ) (resid 53 and name HN ) 3.0 1.2 0.0 assign (resid 53 and name HN ) (resid 54 and name HN ) 3.0 1.2 0.0 assign (resid 54 and name HN ) (resid 55 and name HN ) 3.0 1.2 0.0 assign (resid 55 and name HN ) (resid 56 and name HN ) 3.0 1.2 0.0 assign (resid 64 and name HN ) (resid 65 and name HN ) 3.0 1.2 0.0 assign (resid 68 and name HN ) (resid 69 and name HN ) 3.0 1.2 0.0 assign (resid 69 and name HN ) (resid 70 and name HN ) 3.0 1.2 0.0 assign (resid 70 and name HN ) (resid 71 and name HN ) 3.0 1.2 0.0 assign (resid 71 and name HN ) (resid 72 and name HN ) 3.0 1.2 0.0 assign (resid 72 and name HN ) (resid 73 and name HN ) 3.0 1.2 0.0 assign (resid 73 and name HN ) (resid 74 and name HN ) 3.0 1.2 0.0 assign (resid 74 and name HN ) (resid 75 and name HN ) 3.0 1.2 0.0 assign (resid 84 and name HN ) (resid 85 and name HN ) 4.4 2.2 0.0 assign (resid 85 and name HN ) (resid 86 and name HN ) 3.0 1.2 0.0 assign (resid 86 and name HN ) (resid 87 and name HN ) 3.0 1.2 0.0 assign (resid 87 and name HN ) (resid 88 and name HN ) 3.0 1.2 0.0 assign (resid 88 and name HN ) (resid 89 and name HN ) 3.0 1.2 0.0 assign (resid 89 and name HN ) (resid 90 and name HN ) 3.0 1.2 0.0 assign (resid 91 and name HN ) (resid 92 and name HN ) 3.0 1.2 0.0 assign (resid 92 and name HN ) (resid 93 and name HN ) 3.0 1.2 0.0 assign (resid 93 and name HN ) (resid 94 and name HN ) 4.0 2.2 0.0 !N-sidechain assign (resid 11 and name HA ) (resid 12 and name HN ) 3.4 1.2 0.0 assign (resid 12 and name HA+ ) (resid 13 and name HN ) 3.4 1.2 0.0 assign (resid 13 and name HA ) (resid 14 and name HN ) 3.4 1.2 0.0 assign (resid 14 and name HA ) (resid 15 and name HN ) 3.4 1.2 0.0 assign (resid 14 and name HB+ ) (resid 15 and name HN ) 3.0 1.2 0.0 assign (resid 15 and name HB+ ) (resid 16 and name HN ) 3.0 1.2 0.0 assign (resid 15 and name HD+ ) (resid 16 and name HN ) 4.0 2.2 0.0 assign (resid 16 and name HA ) (resid 17 and name HN ) 3.4 1.2 0.0 assign (resid 16 and name HB+ ) (resid 17 and name HN ) 3.0 1.2 0.0 assign (resid 16 and name HD+ ) (resid 17 and name HN ) 4.0 2.2 0.0 assign (resid 20 and name HA ) (resid 21 and name HN ) 3.4 1.2 0.0 assign (resid 20 and name HB+ ) (resid 21 and name HN ) 4.5 2.7 0.0 assign (resid 22 and name HB+ ) (resid 23 and name HN ) 4.0 2.2 0.0 assign (resid 23 and name HA ) (resid 24 and name HN ) 4.0 2.2 0.0 assign (resid 25 and name HB+ ) (resid 26 and name HN ) 4.0 2.2 0.0 assign (resid 30 and name HA ) (resid 31 and name HN ) 3.4 1.2 0.0 assign (resid 31 and name HA ) (resid 32 and name HN ) 3.4 1.2 0.0 assign (resid 32 and name HA ) (resid 33 and name HN ) 5.0 3.2 0.0 assign (resid 32 and name HB+ ) (resid 33 and name HN ) 3.0 1.2 0.0 assign (resid 32 and name HG+ ) (resid 33 and name HN ) 3.0 1.2 0.0 !assign (resid 35 and name HA ) (resid 36 and name HN ) 4.0 2.2 0.0 assign (resid 35 and name HB+ ) (resid 36 and name HN ) 3.0 1.2 0.0 assign (resid 36 and name HB+ ) (resid 37 and name HN ) 3.5 1.7 0.0 !assign (resid 36 and name HN ) (resid 37 and name HD+ ) 4.0 2.2 0.0 check assign (resid 37 and name HA ) (resid 38 and name HN ) 3.4 1.2 0.0 assign (resid 39 and name HA ) (resid 40 and name HN ) 3.4 1.2 0.0 assign (resid 40 and name HA ) (resid 41 and name HN ) 3.4 1.2 0.0 assign (resid 40 and name HB ) (resid 41 and name HN ) 4.0 2.2 0.0 assign (resid 40 and name HG++) (resid 41 and name HN ) 3.5 1.7 0.0 assign (resid 41 and name HA+ ) (resid 42 and name HN ) 3.4 1.2 0.0 assign (resid 43 and name HA ) (resid 44 and name HN ) 3.4 1.2 0.0 assign (resid 45 and name HA ) (resid 46 and name HN ) 3.4 1.2 0.0 assign (resid 45 and name HB+ ) (resid 46 and name HN ) 3.0 1.2 0.0 assign (resid 46 and name HB+ ) (resid 47 and name HN ) 3.5 1.7 0.0 assign (resid 46 and name HB+ ) (resid 47 and name HD1+) 4.0 2.2 0.0 assign (resid 46 and name HB+ ) (resid 47 and name HD2+) 4.0 2.2 0.0 assign (resid 46 and name HA ) (resid 47 and name HN ) 3.4 1.2 0.0 assign (resid 47 and name HA ) (resid 48 and name HN ) 3.4 1.2 0.0 assign (resid 47 and name HB+ ) (resid 48 and name HN ) 3.0 1.2 0.0 assign (resid 47 and name HD++) (resid 48 and name HN ) 4.5 2.7 0.0 assign (resid 48 and name HA ) (resid 49 and name HN ) 3.4 1.2 0.0 assign (resid 48 and name HB+ ) (resid 49 and name HN ) 3.5 1.7 0.0 assign (resid 50 and name HA ) (resid 51 and name HN ) 3.4 1.2 0.0 assign (resid 50 and name HB ) (resid 51 and name HN ) 3.4 1.2 0.0 assign (resid 50 and name HG2+) (resid 51 and name HN ) 3.5 1.7 0.0 assign (resid 51 and name HB+ ) (resid 52 and name HN ) 3.5 1.7 0.0 assign (resid 52 and name HA ) (resid 53 and name HN ) 3.4 1.2 0.0 assign (resid 52 and name HB+ ) (resid 53 and name HN ) 3.0 1.2 0.0 assign (resid 53 and name HA ) (resid 54 and name HN ) 4.4 2.2 0.0 assign (resid 53 and name HB+ ) (resid 54 and name HN ) 3.5 1.7 0.0 assign (resid 55 and name HD++) (resid 56 and name HN ) 3.5 1.7 0.0 assign (resid 58 and name HB+ ) (resid 59 and name HN ) 4.0 2.2 0.0 assign (resid 64 and name HA ) (resid 65 and name HN ) 4.0 2.2 0.0 assign (resid 64 and name HB ) (resid 65 and name HN ) 3.0 1.2 0.0 assign (resid 64 and name HG2+) (resid 65 and name HN ) 4.5 2.7 0.0 assign (resid 67 and name HD++) (resid 68 and name HN ) 3.5 1.7 0.0 assign (resid 68 and name HA ) (resid 69 and name HN ) 3.4 1.2 0.0 assign (resid 69 and name HA ) (resid 70 and name HN ) 4.0 2.2 0.0 assign (resid 69 and name HB+ ) (resid 70 and name HN ) 3.0 1.2 0.0 assign (resid 70 and name HA ) (resid 71 and name HN ) 4.0 2.2 0.0 assign (resid 70 and name HB+ ) (resid 71 and name HN ) 3.5 1.7 0.0 assign (resid 71 and name HA ) (resid 72 and name HN ) 3.4 1.2 0.0 assign (resid 71 and name HB+ ) (resid 72 and name HN ) 3.0 1.2 0.0 assign (resid 71 and name HD++) (resid 72 and name HN ) 4.5 2.7 0.0 assign (resid 72 and name HA ) (resid 73 and name HN ) 3.4 1.2 0.0 assign (resid 72 and name HB+ ) (resid 73 and name HN ) 3.0 1.2 0.0 !assign (resid 73 and name HB ) (resid 74 and name HN ) 4.0 3.2 0.0 assign (resid 73 and name HG2+) (resid 74 and name HN ) 4.0 1.7 0.0 assign (resid 74 and name HA+ ) (resid 75 and name HN ) 3.4 1.2 0.0 assign (resid 76 and name HA ) (resid 77 and name HN ) 3.4 1.2 0.0 assign (resid 77 and name HA ) (resid 78 and name HN ) 3.4 1.2 0.0 assign (resid 78 and name HA+ ) (resid 79 and name HN ) 3.4 1.2 0.0 assign (resid 83 and name HA ) (resid 84 and name HN ) 3.4 1.2 0.0 assign (resid 83 and name HG+ ) (resid 84 and name HN ) 3.0 1.2 0.0 assign (resid 84 and name HA ) (resid 85 and name HN ) 3.4 1.2 0.0 assign (resid 84 and name HB+ ) (resid 85 and name HN ) 3.0 1.2 0.0 assign (resid 85 and name HA ) (resid 86 and name HN ) 4.0 2.2 0.0 assign (resid 86 and name HA ) (resid 87 and name HN ) 3.4 1.2 0.0 assign (resid 86 and name HB+ ) (resid 87 and name HN ) 3.0 1.2 0.0 assign (resid 89 and name HB+ ) (resid 90 and name HN ) 3.0 1.2 0.0 assign (resid 90 and name HA ) (resid 91 and name HN ) 3.4 1.2 0.0 assign (resid 90 and name HB+ ) (resid 91 and name HN ) 5.5 3.7 0.0 assign (resid 92 and name HA ) (resid 93 and name HN ) 3.4 1.2 0.0 assign (resid 95 and name HB+ ) (resid 96 and name HN ) 4.0 2.2 0.0 ! !short-range (i to i+2 or i+3) ! assign (resid 21 and name HN ) (resid 23 and name HN ) 4.0 2.2 0.0 assign (resid 33 and name HN ) (resid 36 and name HN ) 4.0 2.2 0.0 assign (resid 33 and name HB+ ) (resid 35 and name HN ) 4.0 2.2 0.0 assign (resid 33 and name HB+ ) (resid 36 and name HN ) 3.0 1.2 0.0 assign (resid 36 and name HD++) (resid 33 and name HB+ ) 3.5 1.2 0.0 assign (resid 36 and name HD++) (resid 33 and name HN ) 4.5 2.2 0.0 assign (resid 35 and name HA ) (resid 38 and name HN ) 3.0 1.2 0.0 assign (resid 35 and name HB+ ) (resid 38 and name HN ) 4.5 2.7 0.0 assign (resid 36 and name HN ) (resid 38 and name HN ) 4.0 2.2 0.0 assign (resid 36 and name HN ) (resid 38 and name HD+ ) 5.0 3.2 0.0 assign (resid 36 and name HD++) (resid 38 and name HN ) 4.5 2.7 0.0 assign (resid 43 and name HB+ ) (resid 46 and name HN ) 3.0 1.2 0.0 assign (resid 43 and name HN ) (resid 46 and name HB+ ) 3.5 1.7 0.0 assign (resid 44 and name HA+ ) (resid 46 and name HN ) 3.4 1.2 0.0 assign (resid 45 and name HA ) (resid 48 and name HN ) 3.0 1.2 0.0 !assign (resid 46 and name HB+ ) (resid 49 and name HN ) 4.5 2.7 0.0 assign (resid 46 and name HB+ ) (resid 49 and name HB+ ) 3.5 1.7 0.0 assign (resid 47 and name HD++) (resid 49 and name HN ) 4.5 2.7 0.0 assign (resid 47 and name HB+ ) (resid 49 and name HN ) 4.3 2.2 0.0 assign (resid 47 and name HA ) (resid 50 and name HG2+) 3.5 1.7 0.0 !assign (resid 47 and name HB+ ) (resid 50 and name HN ) 3.0 1.2 0.0 assign (resid 47 and name HA ) (resid 50 and name HD1+) 3.5 1.7 0.0 !assign (resid 48 and name HA ) (resid 50 and name HN ) 3.0 1.2 0.0 assign (resid 48 and name HA ) (resid 51 and name HN ) 3.4 1.2 0.0 assign (resid 48 and name HA ) (resid 51 and name HB+ ) 3.5 1.7 0.0 !assign (resid 48 and name HB+ ) (resid 51 and name HA ) 3.5 1.7 0.0 assign (resid 50 and name HA ) (resid 53 and name HN ) 3.4 1.2 0.0 assign (resid 51 and name HA ) (resid 54 and name HN ) 3.4 1.2 0.0 assign (resid 52 and name HA ) (resid 55 and name HN ) 3.4 1.2 0.0 assign (resid 52 and name HA ) (resid 55 and name HD++) 5.5 3.7 0.0 assign (resid 55 and name HA ) (resid 58 and name HB+ ) 5.0 3.2 0.0 !assign (resid 63 and name HA ) (resid 65 and name HN ) 3.0 1.2 0.0 assign (resid 63 and name HG2+) (resid 65 and name HN ) 3.8 1.7 0.0 assign (resid 69 and name HN ) (resid 71 and name HN ) 4.0 2.2 0.0 assign (resid 69 and name HA ) (resid 72 and name HN ) 3.4 1.2 0.0 assign (resid 70 and name HA ) (resid 73 and name HN ) 4.0 2.2 0.0 !assign (resid 75 and name HA ) (resid 77 and name HN ) 3.0 1.2 0.0 !assign (resid 83 and name HG+ ) (resid 85 and name HA ) 4.0 2.2 0.0 assign (resid 84 and name HN ) (resid 87 and name HN ) 4.0 2.2 0.0 assign (resid 88 and name HA ) (resid 91 and name HB+ ) 3.4 1.2 0.0 !assign (resid 90 and name HB+ ) (resid 92 and name HN ) 3.5 1.7 0.0 assign (resid 90 and name HA ) (resid 93 and name HB+ ) 5.0 3.2 0.0 !assign (resid 91 and name HB+ ) (resid 94 and name HN ) 3.0 1.2 0.0 assign (resid 91 and name HA ) (resid 94 and name HN ) 5.0 3.2 0.0 assign (resid 93 and name HA ) (resid 96 and name HN ) 4.0 2.2 0.0 ! ! intraresidue (to aromatic rings) ! assign (resid 16 and name HD+ ) (resid 16 and name HA ) 4.0 2.2 0.0 assign (resid 16 and name HD+ ) (resid 16 and name HB+ ) 4.0 2.2 0.0 assign (resid 16 and name HD+ ) (resid 16 and name HN ) 3.0 1.2 0.0 assign (resid 17 and name HD+ ) (resid 17 and name HN ) 3.0 1.2 0.0 assign (resid 17 and name HD+ ) (resid 17 and name HB+ ) 4.0 2.2 0.0 assign (resid 23 and name HD1 ) (resid 23 and name HN ) 3.0 1.2 0.0 assign (resid 23 and name HE1 ) (resid 23 and name HN ) 4.0 2.2 0.0 assign (resid 23 and name HD1 ) (resid 23 and name HB+ ) 4.0 2.2 0.0 assign (resid 38 and name HD+ ) (resid 38 and name HA ) 4.0 2.2 0.0 assign (resid 69 and name HD1 ) (resid 69 and name HB+ ) 4.0 2.2 0.0
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