NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
|
|
28603 |
3hsf   |
cing | recoord | 1-original | 3 | XPLOR/CNS | dihedral angle |
! Torsion psi constraints
!! residue 4 A
assign (resid 3 and name c) (resid 4 and name n)
(resid 4 and name ca) (resid 4 and name c) 1.0 -60.0 30.0 2
!! residue 12 M
assign (resid 11 and name c) (resid 12 and name n)
(resid 12 and name ca) (resid 12 and name c) 1.0 -60.0 30.0 2
!! residue 13 V
assign (resid 12 and name c) (resid 13 and name n)
(resid 13 and name ca) (resid 13 and name c) 1.0 -60.0 30.0 2
!! residue 14 N
assign (resid 13 and name c) (resid 14 and name n)
(resid 14 and name ca) (resid 14 and name c) 1.0 -60.0 30.0 2
!! residue 16 K
assign (resid 15 and name c) (resid 16 and name n)
(resid 16 and name ca) (resid 16 and name c) 1.0 -60.0 30.0 2
!! residue 19 E
assign (resid 18 and name c) (resid 19 and name n)
(resid 19 and name ca) (resid 19 and name c) 1.0 -60.0 30.0 2
!! residue 21 F
assign (resid 20 and name c) (resid 21 and name n)
(resid 21 and name ca) (resid 21 and name c) 1.0 -120 40.0 2
!! residue 24 W
assign (resid 23 and name c) (resid 24 and name n)
(resid 24 and name ca) (resid 24 and name c) 1.0 -60.0 30.0 2
!! residue 25 A
assign (resid 24 and name c) (resid 25 and name n)
(resid 25 and name ca) (resid 25 and name c) 1.0 -60.0 30.0 2
!! residue 31 I
assign (resid 30 and name c) (resid 31 and name n)
(resid 31 and name ca) (resid 31 and name c) 1.0 -120.0 40.0 2
!! residue 32 V
assign (resid 31 and name c) (resid 32 and name n)
(resid 32 and name ca) (resid 32 and name c) 1.0 -120.0 40.0 2
!! residue 33 V
assign (resid 32 and name c) (resid 33 and name n)
(resid 33 and name ca) (resid 33 and name c) 1.0 -120.0 40.0 2
!! residue 35 N
assign (resid 34 and name c) (resid 35 and name n)
(resid 35 and name ca) (resid 35 and name c) 1.0 -120.0 40.0 2
!! residue 36 R
assign (resid 35 and name c) (resid 36 and name n)
(resid 36 and name ca) (resid 36 and name c) 1.0 -60.0 30.0 2
!! residue 37 E
assign (resid 36 and name c) (resid 37 and name n)
(resid 37 and name ca) (resid 37 and name c) 1.0 -60.0 30.0 2
!! residue 39 F
assign (resid 38 and name c) (resid 39 and name n)
(resid 39 and name ca) (resid 39 and name c) 1.0 -60.0 30.0 2
!! residue 41 Q
assign (resid 40 and name c) (resid 41 and name n)
(resid 41 and name ca) (resid 41 and name c) 1.0 -60.0 30.0 2
!! residue 43 V
assign (resid 42 and name c) (resid 43 and name n)
(resid 43 and name ca) (resid 43 and name c) 1.0 -120.0 40.0 2
!! residue 47 Y
assign (resid 46 and name c) (resid 47 and name n)
(resid 47 and name ca) (resid 47 and name c) 1.0 -120.0 40.0 2
!! residue 48 F
assign (resid 47 and name c) (resid 48 and name n)
(resid 48 and name ca) (resid 48 and name c) 1.0 -120.0 40.0 2
!! residue 51 S
assign (resid 50 and name c) (resid 51 and name n)
(resid 51 and name ca) (resid 51 and name c) 1.0 -120.0 40.0 2
!! residue 53 F
assign (resid 52 and name c) (resid 53 and name n)
(resid 53 and name ca) (resid 53 and name c) 1.0 -60.0 30.0 2
!! residue A 54
assign (resid 53 and name c) (resid 54 and name n)
(resid 54 and name ca) (resid 54 and name c) 1.0 -60.0 30.0 2
!! residue F 56
assign (resid 55 and name c) (resid 56 and name n)
(resid 56 and name ca) (resid 56 and name c) 1.0 -60.0 30.0 2
!! residue 57 V
assign (resid 56 and name c) (resid 57 and name n)
(resid 57 and name ca) (resid 57 and name c) 1.0 -60.0 30.0 2
!! residue 58 R
assign (resid 57 and name c) (resid 58 and name n)
(resid 58 and name ca) (resid 58 and name c) 1.0 -60.0 30.0 2
!! residue 59 Q
assign (resid 58 and name c) (resid 59 and name n)
(resid 59 and name ca) (resid 59 and name c) 1.0 -60.0 30.0 2
!! residue 60 L
assign (resid 59 and name c) (resid 60 and name n)
(resid 60 and name ca) (resid 60 and name c) 1.0 -60.0 30.0 2
!! residue 62 M
assign (resid 61 and name c) (resid 62 and name n)
(resid 62 and name ca) (resid 62 and name c) 1.0 -60.0 30.0 2
!! residue 63 Y
assign (resid 62 and name c) (resid 63 and name n)
(resid 63 and name ca) (resid 63 and name c) 1.0 -120.0 40.0 2
!! residue 66 H
assign (resid 65 and name c) (resid 66 and name n)
(resid 66 and name ca) (resid 66 and name c) 1.0 -120.0 40.0 2
!! residue 73 S
assign (resid 72 and name c) (resid 73 and name n)
(resid 73 and name ca) (resid 73 and name c) 1.0 -60.0 30.0 2
!! residue 77 L
assign (resid 76 and name c) (resid 77 and name n)
(resid 77 and name ca) (resid 77 and name c) 1.0 -60.0 30.0 2
!! residue 84 W
assign (resid 83 and name c) (resid 84 and name n)
(resid 84 and name ca) (resid 84 and name c) 1.0 -120.0 40.0 2
!! residue 91 H
assign (resid 90 and name c) (resid 91 and name n)
(resid 91 and name ca) (resid 91 and name c) 1.0 -120.0 40.0 2
!!
!!
!! Chi 1 restraints
!! residue 5 F
assign (resid 5 and name n)
(resid 5 and name ca)
(resid 5 and name cb)
(resid 5 and name cg) 1.0 180.0 20.0 2
!! residue 6 V
assign (resid 6 and name n)
(resid 6 and name ca)
(resid 6 and name cb)
(resid 6 and name cg1) 1.0 180.0 20.0 2
!! residue 7 N
assign (resid 7 and name n)
(resid 7 and name ca)
(resid 7 and name cb)
(resid 7 and name cg) 1.0 -60.0 20.0 2
!! residue 9 L
assign (resid 9 and name n)
(resid 9 and name ca)
(resid 9 and name cb)
(resid 9 and name cg) 1.0 180.0 20.0 2
!! resid 9 L chi-2
assign (resid 9 and name ca)
(resid 9 and name cb)
(resid 9 and name cg)
(resid 9 and name cd1) 1.0 60.0 20.0 2
! residue 21 F
assign (resid 21 and name n)
(resid 21 and name ca)
(resid 21 and name cb)
(resid 21 and name cg) 1.0 -60.0 20.0 2
!! residue 22 I
assign (resid 22 and name n)
(resid 22 and name ca)
(resid 22 and name cb)
(resid 22 and name cg1) 1.0 180.0 20.0 2
!! resid 22 I chi_2
assign (resid 22 and name ca)
(resid 22 and name cb)
(resid 22 and name cg1)
(resid 22 and name cd1) 1.0 180.0 20.0 2
!! residue 24 W
assign (resid 24 and name n)
(resid 24 and name ca)
(resid 24 and name cb)
(resid 24 and name cg) 1.0 -60.0 20.0 2
!! residue 26 T
assign (resid 26 and name n)
(resid 26 and name ca)
(resid 26 and name cb)
(resid 26 and name og1) 1.0 -60.0 20.0 2
!! residue 31
assign (resid 31 and name n)
(resid 31 and name ca)
(resid 31 and name cb)
(resid 31 and name cg1) 1.0 -60.0 20.0 2
assign (resid 31 and name ca)
(resid 31 and name cb)
(resid 31 and name cg1)
(resid 31 and name cd1) 1.0 180.0 20.0 2
!! residue 32 V
assign (resid 32 and name n)
(resid 32 and name ca)
(resid 32 and name cb)
(resid 32 and name cg1) 1.0 180.0 20.0 2
!! residue 33 V
assign (resid 33 and name n)
(resid 33 and name ca)
(resid 33 and name cb)
(resid 33 and name cg1) 1.0 180.0 20.0 2
!! residue 40 V
assign (resid 40 and name n)
(resid 40 and name ca)
(resid 40 and name cb)
(resid 40 and name cg1) 1.0 180.0 20.0 2
!! residue 42 E
assign (resid 42 and name n)
(resid 42 and name ca)
(resid 42 and name cb)
(resid 42 and name cg) 1.0 -60.0 20.0 2
!! residue 43 V
assign (resid 43 and name n) ! assigned w/ overlap problems
(resid 43 and name ca)
(resid 43 and name cb)
(resid 43 and name cg1) 1.0 180.0 20.0 2
!! residue 44 L
assign (resid 44 and name n)
(resid 44 and name ca)
(resid 44 and name cb)
(resid 44 and name cg) 1.0 180.0 20.0 2
!! residue 44 L (chi-2)
assign (resid 44 and name ca)
(resid 44 and name cb)
(resid 44 and name cg)
(resid 44 and name cd1) 1.0 60.0 20.0 2
!! resid 47 Y
assign (resid 47 and name n)
(resid 47 and name ca)
(resid 47 and name cb)
(resid 47 and name cg) 1.0 -60.0 20.0 2
!! resid 48 F
assign (resid 48 and name n)
(resid 48 and name ca)
(resid 48 and name cb)
(resid 48 and name cg) 1.0 -60.0 20.0 2
!! resid 50 H
assign (resid 50 and name n)
(resid 50 and name ca)
(resid 50 and name cb)
(resid 50 and name cg) 1.0 -60.0 20.0 2
!! residue 57 V
assign (resid 57 and name n)
(resid 57 and name ca)
(resid 57 and name cb)
(resid 57 and name cg1) 1.0 180.0 20.0 2
!! resid 59 Q
assign (resid 59 and name n)
(resid 59 and name ca)
(resid 59 and name cb)
(resid 59 and name cg) 1.0 -60.0 20.0 2
! resid 60 L
assign (resid 60 and name n)
(resid 60 and name ca)
(resid 60 and name cb)
(resid 60 and name cg) 1.0 -60.0 20.0 2
! resid 60 L (chi 2)
assign (resid 60 and name ca)
(resid 60 and name cb)
(resid 60 and name cg)
(resid 60 and name cd1) 1.0 180.0 20.0 2
!! resid 63 Y
assign (resid 63 and name n)
(resid 63 and name ca)
(resid 63 and name cb)
(resid 63 and name cg) 1.0 -60.0 20.0 2
!! resid 65 W
assign (resid 65 and name n)
(resid 65 and name ca)
(resid 65 and name cb)
(resid 65 and name cg) 1.0 -60.0 20.0 2
!! resid 66 H
assign (resid 66 and name n)
(resid 66 and name ca)
(resid 66 and name cb)
(resid 66 and name cg) 1.0 -60.0 20.0 2
!! resid 86 F
assign (resid 86 and name n)
(resid 86 and name ca)
(resid 86 and name cb)
(resid 86 and name cg) 1.0 -60.0 20.0 2
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