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 |
|
|
499284 |
2l4a   |
17234 | cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
! dihedral angle constraints based on chemical shift index
!phi
!helix A
assign (resid 13 and name c ) (resid 14 and name n )
(resid 14 and name ca) (resid 14 and name c ) 2.0 -57.0 30.0 2
assign (resid 14 and name c ) (resid 15 and name n )
(resid 15 and name ca) (resid 15 and name c ) 2.0 -57.0 30.0 2
assign (resid 15 and name c ) (resid 16 and name n )
(resid 16 and name ca) (resid 16 and name c ) 2.0 -57.0 30.0 2
assign (resid 16 and name c ) (resid 17 and name n )
(resid 17 and name ca) (resid 17 and name c ) 2.0 -57.0 30.0 2
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca) (resid 18 and name c ) 2.0 -57.0 30.0 2
assign (resid 18 and name c ) (resid 19 and name n )
(resid 19 and name ca) (resid 19 and name c ) 2.0 -57.0 30.0 2
assign (resid 19 and name c ) (resid 20 and name n )
(resid 20 and name ca) (resid 20 and name c ) 2.0 -57.0 30.0 2
assign (resid 20 and name c ) (resid 21 and name n )
(resid 21 and name ca) (resid 21 and name c ) 2.0 -57.0 30.0 2
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 2.0 -57.0 30.0 2
assign (resid 22 and name c ) (resid 23 and name n )
(resid 23 and name ca) (resid 23 and name c ) 2.0 -57.0 30.0 2
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca) (resid 24 and name c ) 2.0 -57.0 30.0 2
assign (resid 24 and name c ) (resid 25 and name n )
(resid 25 and name ca) (resid 25 and name c ) 2.0 -57.0 30.0 2
!helix B
assign (resid 31 and name c ) (resid 32 and name n )
(resid 32 and name ca) (resid 32 and name c ) 2.0 -57.0 30.0 2
assign (resid 32 and name c ) (resid 33 and name n )
(resid 33 and name ca) (resid 33 and name c ) 2.0 -57.0 30.0 2
assign (resid 33 and name c ) (resid 34 and name n )
(resid 34 and name ca) (resid 34 and name c ) 2.0 -57.0 30.0 2
assign (resid 34 and name c ) (resid 35 and name n )
(resid 35 and name ca) (resid 35 and name c ) 2.0 -57.0 30.0 2
assign (resid 35 and name c ) (resid 36 and name n )
(resid 36 and name ca) (resid 36 and name c ) 2.0 -57.0 30.0 2
assign (resid 36 and name c ) (resid 37 and name n )
(resid 37 and name ca) (resid 37 and name c ) 2.0 -57.0 30.0 2
!helix C (seems to start from 42, but it's a prolin)
assign (resid 44 and name c ) (resid 45 and name n )
(resid 45 and name ca) (resid 45 and name c ) 2.0 -57.0 30.0 2
assign (resid 45 and name c ) (resid 46 and name n )
(resid 46 and name ca) (resid 46 and name c ) 2.0 -57.0 30.0 2
assign (resid 46 and name c ) (resid 47 and name n )
(resid 47 and name ca) (resid 47 and name c ) 2.0 -57.0 30.0 2
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca) (resid 48 and name c ) 2.0 -57.0 30.0 2
assign (resid 48 and name c ) (resid 49 and name n )
(resid 49 and name ca) (resid 49 and name c ) 2.0 -57.0 30.0 2
assign (resid 49 and name c ) (resid 50 and name n )
(resid 50 and name ca) (resid 50 and name c ) 2.0 -57.0 30.0 2
assign (resid 50 and name c ) (resid 51 and name n )
(resid 51 and name ca) (resid 51 and name c ) 2.0 -57.0 30.0 2
assign (resid 51 and name c ) (resid 52 and name n )
(resid 52 and name ca) (resid 52 and name c ) 2.0 -57.0 30.0 2
assign (resid 52 and name c ) (resid 53 and name n )
(resid 53 and name ca) (resid 53 and name c ) 2.0 -57.0 30.0 2
assign (resid 53 and name c ) (resid 54 and name n )
(resid 54 and name ca) (resid 54 and name c ) 2.0 -57.0 30.0 2
!============================================================================================
!psi
assign (resid 14 and name n ) (resid 14 and name ca )
(resid 14 and name c ) (resid 15 and name n ) 2.0 -47.0 30.0 2
assign (resid 15 and name n ) (resid 15 and name ca )
(resid 15 and name c ) (resid 16 and name n ) 2.0 -47.0 30.0 2
assign (resid 16 and name n ) (resid 16 and name ca )
(resid 16 and name c ) (resid 17 and name n ) 2.0 -47.0 30.0 2
assign (resid 17 and name n ) (resid 17 and name ca )
(resid 17 and name c ) (resid 18 and name n ) 2.0 -47.0 30.0 2
assign (resid 18 and name n ) (resid 18 and name ca )
(resid 18 and name c ) (resid 19 and name n ) 2.0 -47.0 30.0 2
assign (resid 19 and name n ) (resid 19 and name ca )
(resid 19 and name c ) (resid 20 and name n ) 2.0 -47.0 30.0 2
assign (resid 20 and name n ) (resid 20 and name ca )
(resid 20 and name c ) (resid 21 and name n ) 2.0 -47.0 30.0 2
assign (resid 21 and name n ) (resid 21 and name ca )
(resid 21 and name c ) (resid 22 and name n ) 2.0 -47.0 30.0 2
assign (resid 22 and name n ) (resid 22 and name ca )
(resid 22 and name c ) (resid 23 and name n ) 2.0 -47.0 30.0 2
assign (resid 23 and name n ) (resid 23 and name ca )
(resid 23 and name c ) (resid 24 and name n ) 2.0 -47.0 30.0 2
assign (resid 24 and name n ) (resid 24 and name ca )
(resid 24 and name c ) (resid 25 and name n ) 2.0 -47.0 30.0 2
assign (resid 25 and name n ) (resid 25 and name ca )
(resid 25 and name c ) (resid 26 and name n ) 2.0 -47.0 30.0 2
!helix B
assign (resid 31 and name n ) (resid 31 and name ca )
(resid 31 and name c ) (resid 32 and name n ) 2.0 -47.0 30.0 2
assign (resid 32 and name n ) (resid 32 and name ca )
(resid 32 and name c ) (resid 33 and name n ) 2.0 -47.0 30.0 2
assign (resid 33 and name n ) (resid 33 and name ca )
(resid 33 and name c ) (resid 34 and name n ) 2.0 -47.0 30.0 2
assign (resid 34 and name n ) (resid 34 and name ca )
(resid 34 and name c ) (resid 35 and name n ) 2.0 -47.0 30.0 2
assign (resid 35 and name n ) (resid 35 and name ca )
(resid 35 and name c ) (resid 36 and name n ) 2.0 -47.0 30.0 2
assign (resid 36 and name n ) (resid 36 and name ca )
(resid 36 and name c ) (resid 37 and name n ) 2.0 -47.0 30.0 2
assign (resid 37 and name n ) (resid 37 and name ca )
(resid 37 and name c ) (resid 38 and name n ) 2.0 -47.0 30.0 2
!helix C
assign (resid 45 and name n ) (resid 45 and name ca )
(resid 45 and name c ) (resid 46 and name n ) 2.0 -47.0 30.0 2
assign (resid 46 and name n ) (resid 46 and name ca )
(resid 46 and name c ) (resid 47 and name n ) 2.0 -47.0 30.0 2
assign (resid 47 and name n ) (resid 47 and name ca )
(resid 47 and name c ) (resid 48 and name n ) 2.0 -47.0 30.0 2
assign (resid 48 and name n ) (resid 48 and name ca )
(resid 48 and name c ) (resid 49 and name n ) 2.0 -47.0 30.0 2
assign (resid 49 and name n ) (resid 49 and name ca )
(resid 49 and name c ) (resid 50 and name n ) 2.0 -47.0 30.0 2
assign (resid 50 and name n ) (resid 50 and name ca )
(resid 50 and name c ) (resid 51 and name n ) 2.0 -47.0 30.0 2
assign (resid 51 and name n ) (resid 51 and name ca )
(resid 51 and name c ) (resid 52 and name n ) 2.0 -47.0 30.0 2
assign (resid 52 and name n ) (resid 52 and name ca )
(resid 52 and name c ) (resid 53 and name n ) 2.0 -47.0 30.0 2
assign (resid 53 and name n ) (resid 53 and name ca )
(resid 53 and name c ) (resid 54 and name n ) 2.0 -47.0 30.0 2
assign (resid 54 and name n ) (resid 54 and name ca )
(resid 54 and name c ) (resid 55 and name n ) 2.0 -47.0 30.0 2
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