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 |
|
|
16252 |
1zv6   |
6718 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
!! phi angle constraints from HNHA J coupling data
assign (resid 12 and name c ) (resid 13 and name n)
(resid 13 and name ca) (resid 13 and name c) 1 -120 30 2!xpk num=71
assign (resid 13 and name c ) (resid 14 and name n)
(resid 14 and name ca) (resid 14 and name c) 1 -120 30 2!xpk num=68
assign (resid 16 and name c ) (resid 17 and name n)
(resid 17 and name ca) (resid 17 and name c) 1 -60 30 2!xpk num=107
assign (resid 34 and name c ) (resid 35 and name n)
(resid 35 and name ca) (resid 35 and name c) 1 -60 30 2!xpk num=129
assign (resid 36 and name c ) (resid 37 and name n)
(resid 37 and name ca) (resid 37 and name c) 1 -120 30 2!xpk num=69
assign (resid 37 and name c ) (resid 38 and name n)
(resid 38 and name ca) (resid 38 and name c) 1 -60 30 2!xpk num=118
assign (resid 38 and name c ) (resid 39 and name n)
(resid 39 and name ca) (resid 39 and name c) 1 -60 30 2!xpk num=110
assign (resid 40 and name c ) (resid 41 and name n)
(resid 41 and name ca) (resid 41 and name c) 1 -120 30 2!xpk num=74
assign (resid 42 and name c ) (resid 43 and name n)
(resid 43 and name ca) (resid 43 and name c) 1 -60 30 2!xpk num=112
assign (resid 43 and name c ) (resid 44 and name n)
(resid 44 and name ca) (resid 44 and name c) 1 -60 30 2!xpk num=127
assign (resid 46 and name c ) (resid 47 and name n)
(resid 47 and name ca) (resid 47 and name c) 1 -60 30 2!xpk num=119
assign (resid 50 and name c ) (resid 51 and name n)
(resid 51 and name ca) (resid 51 and name c) 1 -120 30 2!xpk num=75
assign (resid 57 and name c ) (resid 58 and name n)
(resid 58 and name ca) (resid 58 and name c) 1 -60 30 2!xpk num=123
assign (resid 59 and name c ) (resid 60 and name n)
(resid 60 and name ca) (resid 60 and name c) 1 -120 30 2!xpk num=87
assign (resid 62 and name c ) (resid 63 and name n)
(resid 63 and name ca) (resid 63 and name c) 1 -60 30 2!xpk num=134
assign (resid 63 and name c ) (resid 64 and name n)
(resid 64 and name ca) (resid 64 and name c) 1 -60 30 2!xpk num=105
assign (resid 65 and name c ) (resid 66 and name n)
(resid 66 and name ca) (resid 66 and name c) 1 -60 30 2!xpk num=116
assign (resid 66 and name c ) (resid 67 and name n)
(resid 67 and name ca) (resid 67 and name c) 1 -60 30 2!xpk num=111
assign (resid 67 and name c ) (resid 68 and name n)
(resid 68 and name ca) (resid 68 and name c) 1 -60 30 2!xpk num=124
assign (resid 69 and name c ) (resid 70 and name n)
(resid 70 and name ca) (resid 70 and name c) 1 -60 30 2!xpk num=113
assign (resid 70 and name c ) (resid 71 and name n)
(resid 71 and name ca) (resid 71 and name c) 1 -60 30 2!xpk num=120
assign (resid 74 and name c ) (resid 75 and name n)
(resid 75 and name ca) (resid 75 and name c) 1 -120 30 2!xpk num=70
assign (resid 75 and name c ) (resid 76 and name n)
(resid 76 and name ca) (resid 76 and name c) 1 -120 40 2!xpk num=76
!! constraints from talos
assign (resid 10 and name c ) (resid 11 and name n )
(resid 11 and name ca) (resid 11 and name c ) 1.0 -88 30 2
assign (resid 11 and name n ) (resid 11 and name ca)
(resid 11 and name c ) (resid 12 and name n ) 1.0 134 30 2
assign (resid 11 and name c ) (resid 12 and name n )
(resid 12 and name ca) (resid 12 and name c ) 1.0 -107 30 2
assign (resid 12 and name n ) (resid 12 and name ca)
(resid 12 and name c ) (resid 13 and name n ) 1.0 122 30 2
assign (resid 13 and name n ) (resid 13 and name ca)
(resid 13 and name c ) (resid 14 and name n ) 1.0 132 30 2
assign (resid 14 and name n ) (resid 14 and name ca)
(resid 14 and name c ) (resid 15 and name n ) 1.0 149 30 2
assign (resid 14 and name c ) (resid 15 and name n )
(resid 15 and name ca) (resid 15 and name c ) 1.0 -60 30 2
assign (resid 15 and name n ) (resid 15 and name ca)
(resid 15 and name c ) (resid 16 and name n ) 1.0 142 30 2
assign (resid 15 and name c ) (resid 16 and name n )
(resid 16 and name ca) (resid 16 and name c ) 1.0 -54 30 2
assign (resid 16 and name n ) (resid 16 and name ca)
(resid 16 and name c ) (resid 17 and name n ) 1.0 -45 30 2
assign (resid 17 and name n ) (resid 17 and name ca)
(resid 17 and name c ) (resid 18 and name n ) 1.0 -40 30 2
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca) (resid 18 and name c ) 1.0 -69 30 2
assign (resid 18 and name n ) (resid 18 and name ca)
(resid 18 and name c ) (resid 19 and name n ) 1.0 -31 30 2
assign (resid 18 and name c ) (resid 19 and name n )
(resid 19 and name ca) (resid 19 and name c ) 1.0 -71 40 2
assign (resid 19 and name n ) (resid 19 and name ca)
(resid 19 and name c ) (resid 20 and name n ) 1.0 -32 40 2
assign (resid 20 and name c ) (resid 21 and name n )
(resid 21 and name ca) (resid 21 and name c ) 1.0 -72 30 2
assign (resid 21 and name n ) (resid 21 and name ca)
(resid 21 and name c ) (resid 22 and name n ) 1.0 -35 30 2
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 1.0 -64 40 2
assign (resid 22 and name n ) (resid 22 and name ca)
(resid 22 and name c ) (resid 23 and name n ) 1.0 -40 40 2
assign (resid 22 and name c ) (resid 23 and name n )
(resid 23 and name ca) (resid 23 and name c ) 1.0 -65 40 2
assign (resid 23 and name n ) (resid 23 and name ca)
(resid 23 and name c ) (resid 24 and name n ) 1.0 -41 40 2
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca) (resid 24 and name c ) 1.0 -87 30 2
assign (resid 24 and name n ) (resid 24 and name ca)
(resid 24 and name c ) (resid 25 and name n ) 1.0 -3 30 2
assign (resid 28 and name c ) (resid 29 and name n )
(resid 29 and name ca) (resid 29 and name c ) 1.0 -90 30 2
assign (resid 29 and name n ) (resid 29 and name ca)
(resid 29 and name c ) (resid 30 and name n ) 1.0 136 30 2
assign (resid 29 and name c ) (resid 30 and name n )
(resid 30 and name ca) (resid 30 and name c ) 1.0 -60 40 2
assign (resid 30 and name n ) (resid 30 and name ca)
(resid 30 and name c ) (resid 31 and name n ) 1.0 149 40 2
assign (resid 30 and name c ) (resid 31 and name n )
(resid 31 and name ca) (resid 31 and name c ) 1.0 -62 40 2
assign (resid 31 and name n ) (resid 31 and name ca)
(resid 31 and name c ) (resid 32 and name n ) 1.0 148 40 2
assign (resid 31 and name c ) (resid 32 and name n )
(resid 32 and name ca) (resid 32 and name c ) 1.0 84 40 2
assign (resid 32 and name n ) (resid 32 and name ca)
(resid 32 and name c ) (resid 33 and name n ) 1.0 3 40 2
assign (resid 32 and name c ) (resid 33 and name n )
(resid 33 and name ca) (resid 33 and name c ) 1.0 -109 30 2
assign (resid 33 and name n ) (resid 33 and name ca)
(resid 33 and name c ) (resid 34 and name n ) 1.0 139 30 2
assign (resid 33 and name c ) (resid 34 and name n )
(resid 34 and name ca) (resid 34 and name c ) 1.0 -104 40 2
assign (resid 34 and name n ) (resid 34 and name ca)
(resid 34 and name c ) (resid 35 and name n ) 1.0 118 30 2
assign (resid 35 and name n ) (resid 35 and name ca)
(resid 35 and name c ) (resid 36 and name n ) 1.0 -26 30 2
assign (resid 35 and name c ) (resid 36 and name n )
(resid 36 and name ca) (resid 36 and name c ) 1.0 -78 30 2
assign (resid 36 and name n ) (resid 36 and name ca)
(resid 36 and name c ) (resid 37 and name n ) 1.0 -12 30 2
assign (resid 38 and name n ) (resid 38 and name ca)
(resid 38 and name c ) (resid 39 and name n ) 1.0 -35 30 2
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca) (resid 39 and name c ) 1.0 -71 30 2
assign (resid 39 and name n ) (resid 39 and name ca)
(resid 39 and name c ) (resid 40 and name n ) 1.0 -14 30 2
assign (resid 39 and name c ) (resid 40 and name n )
(resid 40 and name ca) (resid 40 and name c ) 1.0 -88 30 2
assign (resid 40 and name n ) (resid 40 and name ca)
(resid 40 and name c ) (resid 41 and name n ) 1.0 -8 30 2
assign (resid 41 and name c ) (resid 42 and name n )
(resid 42 and name ca) (resid 42 and name c ) 1.0 -115 30 2
assign (resid 42 and name n ) (resid 42 and name ca)
(resid 42 and name c ) (resid 43 and name n ) 1.0 144 30 2
assign (resid 43 and name n ) (resid 43 and name ca)
(resid 43 and name c ) (resid 44 and name n ) 1.0 158 30 2
assign (resid 44 and name n ) (resid 44 and name ca)
(resid 44 and name c ) (resid 45 and name n ) 1.0 -42 30 2
assign (resid 44 and name c ) (resid 45 and name n )
(resid 45 and name ca) (resid 45 and name c ) 1.0 -67 30 2
assign (resid 45 and name n ) (resid 45 and name ca)
(resid 45 and name c ) (resid 46 and name n ) 1.0 -39 30 2
assign (resid 45 and name c ) (resid 46 and name n )
(resid 46 and name ca) (resid 46 and name c ) 1.0 -69 30 2
assign (resid 46 and name n ) (resid 46 and name ca)
(resid 46 and name c ) (resid 47 and name n ) 1.0 -40 30 2
assign (resid 47 and name n ) (resid 47 and name ca)
(resid 47 and name c ) (resid 48 and name n ) 1.0 -45 30 2
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca) (resid 48 and name c ) 1.0 -63 30 2
assign (resid 48 and name n ) (resid 48 and name ca)
(resid 48 and name c ) (resid 49 and name n ) 1.0 -38 30 2
assign (resid 48 and name c ) (resid 49 and name n )
(resid 49 and name ca) (resid 49 and name c ) 1.0 -63 30 2
assign (resid 49 and name n ) (resid 49 and name ca)
(resid 49 and name c ) (resid 50 and name n ) 1.0 -46 30 2
assign (resid 49 and name c ) (resid 50 and name n )
(resid 50 and name ca) (resid 50 and name c ) 1.0 -75 30 2
assign (resid 50 and name n ) (resid 50 and name ca)
(resid 50 and name c ) (resid 51 and name n ) 1.0 -36 30 2
assign (resid 50 and name c ) (resid 51 and name n )
(resid 51 and name ca) (resid 51 and name c ) 1.0 -86 30 2
assign (resid 51 and name n ) (resid 51 and name ca)
(resid 51 and name c ) (resid 52 and name n ) 1.0 -11 30 2
assign (resid 51 and name c ) (resid 52 and name n )
(resid 52 and name ca) (resid 52 and name c ) 1.0 60 30 2
assign (resid 52 and name n ) (resid 52 and name ca)
(resid 52 and name c ) (resid 53 and name n ) 1.0 37 40 2
assign (resid 52 and name c ) (resid 53 and name n )
(resid 53 and name ca) (resid 53 and name c ) 1.0 -142 30 2
assign (resid 53 and name n ) (resid 53 and name ca)
(resid 53 and name c ) (resid 54 and name n ) 1.0 151 30 2
assign (resid 53 and name c ) (resid 54 and name n )
(resid 54 and name ca) (resid 54 and name c ) 1.0 -102 30 2
assign (resid 54 and name n ) (resid 54 and name ca)
(resid 54 and name c ) (resid 55 and name n ) 1.0 144 30 2
assign (resid 54 and name c ) (resid 55 and name n )
(resid 55 and name ca) (resid 55 and name c ) 1.0 -55 30 2
assign (resid 55 and name n ) (resid 55 and name ca)
(resid 55 and name c ) (resid 56 and name n ) 1.0 -36 30 2
assign (resid 55 and name c ) (resid 56 and name n )
(resid 56 and name ca) (resid 56 and name c ) 1.0 -66 30 2
assign (resid 56 and name n ) (resid 56 and name ca)
(resid 56 and name c ) (resid 57 and name n ) 1.0 -41 30 2
assign (resid 56 and name c ) (resid 57 and name n )
(resid 57 and name ca) (resid 57 and name c ) 1.0 -68 30 2
assign (resid 57 and name n ) (resid 57 and name ca)
(resid 57 and name c ) (resid 58 and name n ) 1.0 -39 30 2
assign (resid 58 and name n ) (resid 58 and name ca)
(resid 58 and name c ) (resid 59 and name n ) 1.0 -37 30 2
assign (resid 60 and name n ) (resid 60 and name ca)
(resid 60 and name c ) (resid 61 and name n ) 1.0 -14 30 2
assign (resid 61 and name c ) (resid 62 and name n )
(resid 62 and name ca) (resid 62 and name c ) 1.0 -96 30 2
assign (resid 63 and name n ) (resid 63 and name ca)
(resid 63 and name c ) (resid 64 and name n ) 1.0 -45 30 2
assign (resid 64 and name n ) (resid 64 and name ca)
(resid 64 and name c ) (resid 65 and name n ) 1.0 -38 30 2
assign (resid 64 and name c ) (resid 65 and name n )
(resid 65 and name ca) (resid 65 and name c ) 1.0 -65 30 2
assign (resid 65 and name n ) (resid 65 and name ca)
(resid 65 and name c ) (resid 66 and name n ) 1.0 -40 30 2
assign (resid 65 and name c ) (resid 66 and name n )
(resid 66 and name ca) (resid 66 and name c ) 1.0 -62 30 2
assign (resid 66 and name n ) (resid 66 and name ca)
(resid 66 and name c ) (resid 67 and name n ) 1.0 -45 30 2
assign (resid 67 and name n ) (resid 67 and name ca)
(resid 67 and name c ) (resid 68 and name n ) 1.0 -38 30 2
assign (resid 68 and name n ) (resid 68 and name ca)
(resid 68 and name c ) (resid 69 and name n ) 1.0 -45 30 2
assign (resid 68 and name c ) (resid 69 and name n )
(resid 69 and name ca) (resid 69 and name c ) 1.0 -63 30 2
assign (resid 69 and name n ) (resid 69 and name ca)
(resid 69 and name c ) (resid 70 and name n ) 1.0 -41 30 2
assign (resid 70 and name n ) (resid 70 and name ca)
(resid 70 and name c ) (resid 71 and name n ) 1.0 -39 30 2
assign (resid 71 and name n ) (resid 71 and name ca)
(resid 71 and name c ) (resid 72 and name n ) 1.0 -38 30 2
assign (resid 71 and name c ) (resid 72 and name n )
(resid 72 and name ca) (resid 72 and name c ) 1.0 -66 30 2
assign (resid 72 and name n ) (resid 72 and name ca)
(resid 72 and name c ) (resid 73 and name n ) 1.0 -27 30 2
assign (resid 72 and name c ) (resid 73 and name n )
(resid 73 and name ca) (resid 73 and name c ) 1.0 -95 30 2
assign (resid 73 and name n ) (resid 73 and name ca)
(resid 73 and name c ) (resid 74 and name n ) 1.0 5 30 2
assign (resid 73 and name c ) (resid 74 and name n )
(resid 74 and name ca) (resid 74 and name c ) 1.0 59 30 2
assign (resid 74 and name n ) (resid 74 and name ca)
(resid 74 and name c ) (resid 75 and name n ) 1.0 41 30 2
!! CHI constraints are based on sterospecific assignments of HB atoms
assign (resid 11 and name n ) (resid 11 and name ca)
(resid 11 and name cb) (resid 11 and name cg) 1.0 60 40 2
assign (resid 12 and name n ) (resid 12 and name ca)
(resid 12 and name cb) (resid 12 and name cg) 1.0 60 40 2
assign (resid 14 and name n ) (resid 14 and name ca)
(resid 14 and name cb) (resid 14 and name cg) 1.0 -60 40 2
assign (resid 16 and name n ) (resid 16 and name ca)
(resid 16 and name cb) (resid 16 and name cg) 1.0 180 40 2
assign (resid 19 and name n ) (resid 19 and name ca)
(resid 19 and name cb) (resid 19 and name cg) 1.0 -60 40 2
assign (resid 24 and name n ) (resid 24 and name ca)
(resid 24 and name cb) (resid 24 and name cg) 1.0 -60 40 2
assign (resid 28 and name n ) (resid 28 and name ca)
(resid 28 and name cb) (resid 28 and name cg) 1.0 -60 40 2
assign (resid 29 and name n ) (resid 29 and name ca)
(resid 29 and name cb) (resid 29 and name cg) 1.0 -60 40 2
assign (resid 34 and name n ) (resid 34 and name ca)
(resid 34 and name cb) (resid 34 and name cg) 1.0 180 40 2
assign (resid 37 and name n ) (resid 37 and name ca)
(resid 37 and name cb) (resid 37 and name cg) 1.0 60 40 2
assign (resid 39 and name n ) (resid 39 and name ca)
(resid 39 and name cb) (resid 39 and name cg) 1.0 60 40 2
assign (resid 42 and name n ) (resid 42 and name ca)
(resid 42 and name cb) (resid 42 and name cg) 1.0 -60 40 2
assign (resid 46 and name n ) (resid 46 and name ca)
(resid 46 and name cb) (resid 46 and name cg) 1.0 -60 40 2
assign (resid 51 and name n ) (resid 51 and name ca)
(resid 51 and name cb) (resid 51 and name cg) 1.0 -60 40 2
assign (resid 53 and name n ) (resid 53 and name ca)
(resid 53 and name cb) (resid 53 and name cg) 1.0 60 40 2
assign (resid 57 and name n ) (resid 57 and name ca)
(resid 57 and name cb) (resid 57 and name cg) 1.0 -60 40 2
assign (resid 60 and name n ) (resid 60 and name ca)
(resid 60 and name cb) (resid 60 and name cg) 1.0 -60 40 2
assign (resid 61 and name n ) (resid 61 and name ca)
(resid 61 and name cb) (resid 61 and name cg) 1.0 -60 40 2
assign (resid 63 and name n ) (resid 63 and name ca)
(resid 63 and name cb) (resid 63 and name cg) 1.0 180 40 2
assign (resid 66 and name n ) (resid 66 and name ca)
(resid 66 and name cb) (resid 66 and name cg) 1.0 -60 40 2
assign (resid 67 and name n ) (resid 67 and name ca)
(resid 67 and name cb) (resid 67 and name cg) 1.0 -60 40 2
assign (resid 69 and name n ) (resid 69 and name ca)
(resid 69 and name cb) (resid 69 and name cg) 1.0 -60 40 2
assign (resid 70 and name n ) (resid 70 and name ca)
(resid 70 and name cb) (resid 70 and name cg) 1.0 -60 40 2
assign (resid 71 and name n ) (resid 71 and name ca)
(resid 71 and name cb) (resid 71 and name cg) 1.0 -60 40 2
assign (resid 75 and name n ) (resid 75 and name ca)
(resid 75 and name cb) (resid 75 and name cg) 1.0 60 40 2
assign (resid 76 and name n ) (resid 76 and name ca)
(resid 76 and name cb) (resid 76 and name cg) 1.0 180 40 2
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