NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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5169 |
1gjs   |
cing | recoord | 1-original | 3 | XPLOR/CNS | dihedral angle |
!Dihedral angle constraints
!Phi-angle constraints
! 21 Ala: 3.5
assi (resid 20 and name C ) (resid 21 and name N)
(resid 21 and name CA) (resid 21 and name C) 1.0 -60.0 20.0 2
! 22 Glu: 4.0
assi (resid 21 and name C ) (resid 22 and name N)
(resid 22 and name CA) (resid 22 and name C) 1.0 -60.0 20.0 2
! 23 Ala: 3.5
assi (resid 22 and name C ) (resid 23 and name N)
(resid 23 and name CA) (resid 23 and name C) 1.0 -60.0 20.0 2
! 24 Ala: 3.0
assi (resid 23 and name C ) (resid 24 and name N)
(resid 24 and name CA) (resid 24 and name C) 1.0 -60.0 20.0 2
! 25 Val: 3.0
assi (resid 24 and name C ) (resid 25 and name N)
(resid 25 and name CA) (resid 25 and name C) 1.0 -60.0 20.0 2
! 26 Leu: 3.0
assi (resid 25 and name C ) (resid 26 and name N)
(resid 26 and name CA) (resid 26 and name C) 1.0 -60.0 20.0 2
! 27 Ala: 4.5
assi (resid 26 and name C ) (resid 27 and name N)
(resid 27 and name CA) (resid 27 and name C) 1.0 -60.0 20.0 2
! 28 Asn: 4.0
assi (resid 27 and name C ) (resid 28 and name N)
(resid 28 and name CA) (resid 28 and name C) 1.0 -60.0 20.0 2
! 29 Arg: 3.0
assi (resid 28 and name C ) (resid 29 and name N)
(resid 29 and name CA) (resid 29 and name C) 1.0 -60.0 20.0 2
! 30 Glu:
assign (resid 29 and name c ) (resid 30 and name n )
(resid 30 and name ca) (resid 30 and name c ) 1 -90.00 88.00 2
! 31 Leu:
assign (resid 30 and name c ) (resid 31 and name n )
(resid 31 and name ca) (resid 31 and name c ) 1 -90.00 88.00 2
! 32 Asp: 2.5
assi (resid 31 and name C ) (resid 32 and name N)
(resid 32 and name CA) (resid 32 and name C) 1.0 -60.0 20.0 2
! 33 Lys:
assign (resid 32 and name c ) (resid 33 and name n )
(resid 33 and name ca) (resid 33 and name c ) 1 -90.00 88.00 2
! 34 Tyr: 7.0
assign (resid 33 and name c ) (resid 33 and name n )
(resid 34 and name ca) (resid 34 and name c ) 1 -90.00 88.00 2
! 35 Gly: -
! 36 Val: 5.5
assign (resid 35 and name c ) (resid 36 and name n )
(resid 36 and name ca) (resid 36 and name c ) 1 -90.00 88.00 2
! 37 Ser: 4.0
assi (resid 36 and name C ) (resid 37 and name N)
(resid 37 and name CA) (resid 37 and name C) 1.0 -60.0 20.0 2
! 38 Asp: -
assign (resid 37 and name c ) (resid 38 and name n )
(resid 38 and name ca) (resid 38 and name c ) 1 -90.00 88.00 2
! 39 Tyr: -
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca) (resid 39 and name c ) 1 -90.00 88.00 2
! 40 Tyr: 4.0
assi (resid 39 and name C ) (resid 40 and name N)
(resid 40 and name CA) (resid 40 and name C) 1.0 -60.0 20.0 2
! 41 Lys: 4.0
assi (resid 40 and name C ) (resid 41 and name N)
(resid 41 and name CA) (resid 41 and name C) 1.0 -60.0 20.0 2
! 42 Asn: 3.0
assi (resid 41 and name C ) (resid 42 and name N)
(resid 42 and name CA) (resid 42 and name C) 1.0 -60.0 20.0 2
! 43 Leu: 4.0
assi (resid 42 and name C ) (resid 43 and name N)
(resid 43 and name CA) (resid 43 and name C) 1.0 -60.0 20.0 2
! 44 Ile: 3.5
assi (resid 43 and name C ) (resid 44 and name N)
(resid 44 and name CA) (resid 44 and name C) 1.0 -60.0 20.0 2
! 45 Asn: 3.5
assi (resid 44 and name C ) (resid 45 and name N)
(resid 45 and name CA) (resid 45 and name C) 1.0 -60.0 20.0 2
! 46 Asn: 7.0
assign (resid 45 and name c ) (resid 46 and name n )
(resid 46 and name ca) (resid 46 and name c ) 1 -90.00 88.00 2
! 47 Ala: 3.0
assi (resid 46 and name C ) (resid 47 and name N)
(resid 47 and name CA) (resid 47 and name C) 1.0 -60.0 20.0 2
! 48 Lys: -
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca) (resid 48 and name c ) 1 -90.00 88.00 2
! 49 Thr: 7.0
assign (resid 48 and name c ) (resid 49 and name n )
(resid 49 and name ca) (resid 49 and name c ) 1 -90.00 88.00 2
! 50 Val: -
assign (resid 49 and name c ) (resid 50 and name n )
(resid 50 and name ca) (resid 50 and name c ) 1 -90.00 88.00 2
! 51 Glu: 3.0
assi (resid 50 and name C ) (resid 51 and name N)
(resid 51 and name CA) (resid 51 and name C) 1.0 -60.0 20.0 2
! 53 Val: 3.5
assi (resid 52 and name C ) (resid 53 and name N)
(resid 53 and name CA) (resid 53 and name C) 1.0 -60.0 20.0 2
! 54 Lys: 4.0
assi (resid 53 and name C ) (resid 54 and name N)
(resid 54 and name CA) (resid 54 and name C) 1.0 -60.0 20.0 2
! 55 Ala: 3.5
assi (resid 54 and name C ) (resid 55 and name N)
(resid 55 and name CA) (resid 55 and name C) 1.0 -60.0 20.0 2
! 56 Leu: 4.0
assi (resid 55 and name C ) (resid 56 and name N)
(resid 56 and name CA) (resid 56 and name C) 1.0 -60.0 20.0 2
! 57 Ile: 3.0
assi (resid 56 and name C ) (resid 57 and name N)
(resid 57 and name CA) (resid 57 and name C) 1.0 -60.0 20.0 2
! 58 Asp: 3.5
assi (resid 57 and name C ) (resid 58 and name N)
(resid 58 and name CA) (resid 58 and name C) 1.0 -60.0 20.0 2
! 59 Glu: 4.0
assi (resid 58 and name C ) (resid 59 and name N)
(resid 59 and name CA) (resid 59 and name C) 1.0 -60.0 20.0 2
! 60 Ile: 3.0
assi (resid 59 and name C ) (resid 60 and name N)
(resid 60 and name CA) (resid 60 and name C) 1.0 -60.0 20.0 2
! 61 Leu: 4.0
assi (resid 60 and name C ) (resid 61 and name N)
(resid 61 and name CA) (resid 61 and name C) 1.0 -60.0 20.0 2
! 62 Ala: 3.5
assi (resid 61 and name C ) (resid 62 and name N)
(resid 62 and name CA) (resid 62 and name C) 1.0 -60.0 20.0 2
! 63 Ala: 7.0
assign (resid 62 and name c ) (resid 63 and name n )
(resid 63 and name ca) (resid 63 and name c ) 1 -90.00 88.00 2
! 64 Leu: 5.5
assign (resid 63 and name c ) (resid 64 and name n )
(resid 64 and name ca) (resid 64 and name c ) 1 -90.00 88.00 2
!chi-1 constraints
assi (resid 25 and name N ) (resid 25 and name CA)
(resid 25 and name CB) (resid 25 and name CG1) 1.0 180.0 20.0 2
assi (resid 26 and name N ) (resid 26 and name CA)
(resid 26 and name CB) (resid 26 and name CG) 1.0 -60.0 20.0 2
assi (resid 28 and name N ) (resid 28 and name CA)
(resid 28 and name CB) (resid 28 and name CG) 1.0 180.0 20.0 2
assi (resid 31 and name N ) (resid 31 and name CA)
(resid 31 and name CB) (resid 31 and name CG) 1.0 -60.0 20.0 2
assi (resid 43 and name N ) (resid 43 and name CA)
(resid 43 and name CB) (resid 43 and name CG) 1.0 180.0 20.0 2
assi (resid 44 and name N ) (resid 44 and name CA)
(resid 44 and name CB) (resid 44 and name CG1) 1.0 -60.0 20.0 2
assi (resid 53 and name N ) (resid 53 and name CA)
(resid 53 and name CB) (resid 53 and name CG1) 1.0 180.0 20.0 2
assi (resid 56 and name N ) (resid 56 and name CA)
(resid 56 and name CB) (resid 56 and name CG) 1.0 180.0 20.0 2
assi (resid 60 and name N ) (resid 60 and name CA)
(resid 60 and name CB) (resid 60 and name CG1) 1.0 -60.0 20.0 2
assi (resid 61 and name N ) (resid 61 and name CA)
(resid 61 and name CB) (resid 61 and name CG) 1.0 -60.0 20.0 2
!chi-2 constraints
assi (resid 26 and name ca) (resid 26 and name cb)
(resid 26 and name cg) (resid 26 and name cd1) 1.0 180.0 20.0 2
assi (resid 31 and name ca) (resid 31 and name cb)
(resid 31 and name cg) (resid 31 and name cd1) 1.0 180.0 20.0 2
assi (resid 43 and name ca) (resid 43 and name cb)
(resid 43 and name cg) (resid 43 and name cd1) 1.0 60.0 20.0 2
assi (resid 56 and name ca) (resid 56 and name cb)
(resid 56 and name cg) (resid 56 and name cd1) 1.0 60.0 20.0 2
assi (resid 61 and name ca) (resid 61 and name cb)
(resid 61 and name cg) (resid 61 and name cd1) 1.0 180.0 20.0 2
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