NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1309 |
1ah1   |
cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
! angle restraints for phi
!
assign (resid 2 and name c ) (resid 3 and name n )
(resid 3 and name ca) (resid 3 and name c ) 10.0 -120.0 40.0 2 ! 8.3
assign (resid 8 and name c ) (resid 9 and name n )
(resid 9 and name ca) (resid 9 and name c ) 10.0 -120.0 40.0 2 ! 8.0
assign (resid 9 and name c ) (resid 10 and name n )
(resid 10 and name ca) (resid 10 and name c ) 10.0 -120.0 40.0 2 ! 8.0
assign (resid 15 and name c ) (resid 16 and name n )
(resid 16 and name ca) (resid 16 and name c ) 10.0 -120.0 40.0 2 ! 8.1
assign (resid 16 and name c ) (resid 17 and name n )
(resid 17 and name ca) (resid 17 and name c ) 10.0 -120.0 40.0 2 ! 8.3
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca) (resid 18 and name c ) 10.0 -120.0 40.0 2 ! 8.0
assign (resid 20 and name c ) (resid 21 and name n )
(resid 21 and name ca) (resid 21 and name c ) 10.0 -120.0 40.0 2 ! 8.6
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 10.0 -120.0 40.0 2 ! 8.6
assign (resid 22 and name c ) (resid 23 and name n )
(resid 23 and name ca) (resid 23 and name c ) 10.0 -120.0 40.0 2 ! 8.0
assign (resid 29 and name c ) (resid 30 and name n )
(resid 30 and name ca) (resid 30 and name c ) 10.0 -120.0 40.0 2 ! 8.9
assign (resid 30 and name c ) (resid 31 and name n )
(resid 31 and name ca) (resid 31 and name c ) 10.0 -120.0 40.0 2 ! 8.2
assign (resid 31 and name c ) (resid 32 and name n )
(resid 32 and name ca) (resid 32 and name c ) 10.0 -120.0 40.0 2 ! 8.8
assign (resid 33 and name c ) (resid 34 and name n )
(resid 34 and name ca) (resid 34 and name c ) 10.0 -120.0 40.0 2 ! 9.4
assign (resid 34 and name c ) (resid 35 and name n )
(resid 35 and name ca) (resid 35 and name c ) 10.0 -120.0 40.0 2 ! 8.2
assign (resid 36 and name c ) (resid 37 and name n )
(resid 37 and name ca) (resid 37 and name c ) 10.0 -120.0 40.0 2 ! 9.6
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca) (resid 39 and name c ) 10.0 -120.0 40.0 2 ! 8.8
assign (resid 43 and name c ) (resid 44 and name n )
(resid 44 and name ca) (resid 44 and name c ) 10.0 -120.0 40.0 2 ! 8.8
assign (resid 44 and name c ) (resid 45 and name n )
(resid 45 and name ca) (resid 45 and name c ) 10.0 -120.0 40.0 2 ! 8.0
assign (resid 45 and name c ) (resid 46 and name n )
(resid 46 and name ca) (resid 46 and name c ) 10.0 -120.0 40.0 2 ! 8.2
assign (resid 46 and name c ) (resid 47 and name n )
(resid 47 and name ca) (resid 47 and name c ) 10.0 -120.0 40.0 2 ! 8.6
assign (resid 50 and name c ) (resid 51 and name n )
(resid 51 and name ca) (resid 51 and name c ) 10.0 -120.0 40.0 2 ! 9.5
assign (resid 55 and name c ) (resid 56 and name n )
(resid 56 and name ca) (resid 56 and name c ) 10.0 -120.0 40.0 2 ! 8.2
assign (resid 58 and name c ) (resid 59 and name n )
(resid 59 and name ca) (resid 59 and name c ) 10.0 -120.0 40.0 2 ! 8.1
assign (resid 68 and name c ) (resid 69 and name n )
(resid 69 and name ca) (resid 69 and name c ) 10.0 -120.0 40.0 2 ! 9.7
assign (resid 75 and name c ) (resid 76 and name n )
(resid 76 and name ca) (resid 76 and name c ) 10.0 -120.0 40.0 2 ! 8.0
assign (resid 76 and name c ) (resid 77 and name n )
(resid 77 and name ca) (resid 77 and name c ) 10.0 -120.0 40.0 2 ! 8.5
assign (resid 77 and name c ) (resid 78 and name n )
(resid 78 and name ca) (resid 78 and name c ) 10.0 -120.0 40.0 2 ! 8.0
assign (resid 78 and name c ) (resid 79 and name n )
(resid 79 and name ca) (resid 79 and name c ) 10.0 -120.0 40.0 2 ! 8.0
assign (resid 79 and name c ) (resid 80 and name n )
(resid 80 and name ca) (resid 80 and name c ) 10.0 -120.0 40.0 2 ! 8.9
assign (resid 80 and name c ) (resid 81 and name n )
(resid 81 and name ca) (resid 81 and name c ) 10.0 -120.0 40.0 2 ! 8.5
assign (resid 83 and name c ) (resid 84 and name n )
(resid 84 and name ca) (resid 84 and name c ) 10.0 -60.0 40.0 2 ! <5.0
assign (resid 85 and name c ) (resid 86 and name n )
(resid 86 and name ca) (resid 86 and name c ) 10.0 -60.0 40.0 2 ! <5.0
assign (resid 86 and name c ) (resid 87 and name n )
(resid 87 and name ca) (resid 87 and name c ) 10.0 -60.0 40.0 2 ! <5.0
assign (resid 87 and name c ) (resid 88 and name n )
(resid 88 and name ca) (resid 88 and name c ) 10.0 -60.0 40.0 2 ! 5.6
assign (resid 93 and name c ) (resid 94 and name n )
(resid 94 and name ca) (resid 94 and name c ) 10.0 -120.0 40.0 2 ! 8.5
assign (resid 95 and name c ) (resid 96 and name n )
(resid 96 and name ca) (resid 96 and name c ) 10.0 -120.0 40.0 2 ! 8.1
assign (resid 98 and name c ) (resid 99 and name n )
(resid 99 and name ca) (resid 99 and name c ) 10.0 -120.0 40.0 2 ! 8.8
assign (resid 105 and name c ) (resid 106 and name n )
(resid 106 and name ca) (resid 106 and name c ) 10.0 -120.0 40.0 2 ! 8.0
assign (resid 108 and name c ) (resid 109 and name n )
(resid 109 and name ca) (resid 109 and name c ) 10.0 -120.0 40.0 2 ! 8.1
assign (resid 114 and name c ) (resid 115 and name n )
(resid 115 and name ca) (resid 115 and name c ) 10.0 -120.0 40.0 2 ! 8.2
assign (resid 115 and name c ) (resid 116 and name n )
(resid 116 and name ca) (resid 116 and name c ) 10.0 -120.0 40.0 2 ! 8.0
!
! chi 1 restraints for VAL, ILE and THR derived from CO-CH3 and N-CH3 J-values and noes
!
! THR
assign (resid 30 and name n ) (resid 30 and name ca)
(resid 30 and name cb) (resid 30 and name og1) 10.0 60.0 30.0 2 !
assign (resid 35 and name n ) (resid 35 and name ca)
(resid 35 and name cb) (resid 35 and name og1) 10.0 -60.0 30.0 2 !
assign (resid 45 and name n ) (resid 45 and name ca)
(resid 45 and name cb) (resid 45 and name og1) 10.0 60.0 30.0 2 !
assign (resid 51 and name n ) (resid 51 and name ca)
(resid 51 and name cb) (resid 51 and name og1) 10.0 -60.0 30.0 2 !
assign (resid 59 and name n ) (resid 59 and name ca)
(resid 59 and name cb) (resid 59 and name og1) 10.0 60.0 30.0 2 !
assign (resid 69 and name n ) (resid 69 and name ca)
(resid 69 and name cb) (resid 69 and name og1) 10.0 180.0 30.0 2 !
assign (resid 71 and name n ) (resid 71 and name ca)
(resid 71 and name cb) (resid 71 and name og1) 10.0 -60.0 30.0 2 !
assign (resid 80 and name n ) (resid 80 and name ca)
(resid 80 and name cb) (resid 80 and name og1) 10.0 -60.0 30.0 2 !
assign (resid 113 and name n ) (resid 113 and name ca)
(resid 113 and name cb) (resid 113 and name og1) 10.0 -60.0 30.0 2 !
! ILE
assign (resid 16 and name n ) (resid 16 and name ca)
(resid 16 and name cb) (resid 16 and name cg1) 10.0 -60.0 30.0 2 !
assign (resid 67 and name n ) (resid 67 and name ca)
(resid 67 and name cb) (resid 67 and name cg1) 10.0 -60.0 30.0 2 !
assign (resid 81 and name n ) (resid 81 and name ca)
(resid 81 and name cb) (resid 81 and name cg1) 10.0 -60.0 30.0 2 !
assign (resid 93 and name n ) (resid 93 and name ca)
(resid 93 and name cb) (resid 93 and name cg1) 10.0 -60.0 30.0 2 !
assign (resid 109 and name n ) (resid 109 and name ca)
(resid 109 and name cb) (resid 109 and name cg1) 10.0 -60.0 30.0 2 !
assign (resid 115 and name n ) (resid 115 and name ca)
(resid 115 and name cb) (resid 115 and name cg1) 10.0 -60.0 30.0 2 !
! VAL
assign (resid 3 and name n ) (resid 3 and name ca)
(resid 3 and name cb) (resid 3 and name cg1) 10.0 180.0 30.0 2 !
assign (resid 8 and name n ) (resid 8 and name ca)
(resid 8 and name cb) (resid 8 and name cg1) 10.0 60.0 30.0 2 !
assign (resid 9 and name n ) (resid 9 and name ca)
(resid 9 and name cb) (resid 9 and name cg1) 10.0 180.0 30.0 2 !
assign (resid 20 and name n ) (resid 20 and name ca)
(resid 20 and name cb) (resid 20 and name cg1) 10.0 180.0 30.0 2 !
assign (resid 44 and name n ) (resid 44 and name ca)
(resid 44 and name cb) (resid 44 and name cg1) 10.0 180.0 30.0 2 !
assign (resid 47 and name n ) (resid 47 and name ca)
(resid 47 and name cb) (resid 47 and name cg1) 10.0 180.0 30.0 2 !
assign (resid 77 and name n ) (resid 77 and name ca)
(resid 77 and name cb) (resid 77 and name cg1) 10.0 -60.0 30.0 2 !
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