NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
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4756 |
1fow   |
cing | recoord | dress | 1-original | 4 | XPLOR/CNS | dihedral angle |
!START_OF_TOR_DATA
restraints
dihedral
reset
! backbone phi
! parallel beta sheet
assign (resid 33 and name C) (resid 34 and name N)
(resid 34 and name CA) (resid 34 and name C) 1.0 -120.0 40.0 2
assign (resid 69 and name C) (resid 70 and name N)
(resid 70 and name CA) (resid 70 and name C) 1.0 -120.0 40.0 2
assign (resid 72 and name C) (resid 73 and name N)
(resid 73 and name CA) (resid 73 and name C) 1.0 -120.0 40.0 2
assign (resid 73 and name C) (resid 74 and name N)
(resid 74 and name CA) (resid 74 and name C) 1.0 -120.0 40.0 2
assign (resid 74 and name C) (resid 75 and name N)
(resid 75 and name CA) (resid 75 and name C) 1.0 -120.0 40.0 2
! alpha helix #1
assign (resid 10 and name C) (resid 11 and name N)
(resid 11 and name CA) (resid 11 and name C) 1.0 -65.0 25.0 2
assign (resid 12 and name C) (resid 13 and name N)
(resid 13 and name CA) (resid 13 and name C) 1.0 -65.0 25.0 2
assign (resid 13 and name C) (resid 14 and name N)
(resid 14 and name CA) (resid 14 and name C) 1.0 -65.0 25.0 2
assign (resid 14 and name C) (resid 15 and name N)
(resid 15 and name CA) (resid 15 and name C) 1.0 -65.0 25.0 2
assign (resid 15 and name C) (resid 16 and name N)
(resid 16 and name CA) (resid 16 and name C) 1.0 -65.0 25.0 2
assign (resid 16 and name C) (resid 17 and name N)
(resid 17 and name CA) (resid 17 and name C) 1.0 -65.0 25.0 2
! alpha helix #2
assign (resid 35 and name C) (resid 36 and name N)
(resid 36 and name CA) (resid 36 and name C) 1.0 -65.0 25.0 2
assign (resid 36 and name C) (resid 37 and name N)
(resid 37 and name CA) (resid 37 and name C) 1.0 -65.0 25.0 2
assign (resid 37 and name C) (resid 38 and name N)
(resid 38 and name CA) (resid 38 and name C) 1.0 -65.0 25.0 2
assign (resid 39 and name C) (resid 40 and name N)
(resid 40 and name CA) (resid 40 and name C) 1.0 -65.0 25.0 2
assign (resid 40 and name C) (resid 41 and name N)
(resid 41 and name CA) (resid 41 and name C) 1.0 -65.0 25.0 2
assign (resid 41 and name C) (resid 42 and name N)
(resid 42 and name CA) (resid 42 and name C) 1.0 -65.0 25.0 2
assign (resid 42 and name C) (resid 43 and name N)
(resid 43 and name CA) (resid 43 and name C) 1.0 -65.0 25.0 2
assign (resid 43 and name C) (resid 44 and name N)
(resid 44 and name CA) (resid 44 and name C) 1.0 -65.0 25.0 2
assign (resid 44 and name C) (resid 45 and name N)
(resid 45 and name CA) (resid 45 and name C) 1.0 -65.0 25.0 2
assign (resid 45 and name C) (resid 46 and name N)
(resid 46 and name CA) (resid 46 and name C) 1.0 -65.0 25.0 2
assign (resid 47 and name C) (resid 48 and name N)
(resid 48 and name CA) (resid 48 and name C) 1.0 -65.0 25.0 2
! alpha helix #3
assign (resid 53 and name C) (resid 54 and name N)
(resid 54 and name CA) (resid 54 and name C) 1.0 -65.0 25.0 2
assign (resid 55 and name C) (resid 56 and name N)
(resid 56 and name CA) (resid 56 and name C) 1.0 -65.0 25.0 2
assign (resid 56 and name C) (resid 57 and name N)
(resid 57 and name CA) (resid 57 and name C) 1.0 -65.0 25.0 2
assign (resid 57 and name C) (resid 58 and name N)
(resid 58 and name CA) (resid 58 and name C) 1.0 -65.0 25.0 2
assign (resid 58 and name C) (resid 59 and name N)
(resid 59 and name CA) (resid 59 and name C) 1.0 -65.0 25.0 2
assign (resid 59 and name C) (resid 60 and name N)
(resid 60 and name CA) (resid 60 and name C) 1.0 -65.0 25.0 2
assign (resid 60 and name C) (resid 61 and name N)
(resid 61 and name CA) (resid 61 and name C) 1.0 -65.0 25.0 2
assign (resid 61 and name C) (resid 62 and name N)
(resid 62 and name CA) (resid 62 and name C) 1.0 -65.0 25.0 2
assign (resid 62 and name C) (resid 63 and name N)
(resid 63 and name CA) (resid 63 and name C) 1.0 -65.0 25.0 2
assign (resid 63 and name C) (resid 64 and name N)
(resid 64 and name CA) (resid 64 and name C) 1.0 -65.0 25.0 2
assign (resid 65 and name C) (resid 66 and name N)
(resid 66 and name CA) (resid 66 and name C) 1.0 -65.0 25.0 2
assign (resid 66 and name C) (resid 67 and name N)
(resid 67 and name CA) (resid 67 and name C) 1.0 -65.0 25.0 2
assign (resid 68 and name C) (resid 69 and name N)
(resid 69 and name CA) (resid 69 and name C) 1.0 -65.0 25.0 2
! chi one
! VAL 12
assign (resid 12 and name N) (resid 12 and name CA)
(resid 12 and name CB) (resid 12 and name CG1) 1.0 60.0 40.0 2
! LEU 13
assign (resid 13 and name N) (resid 13 and name CA)
(resid 13 and name CB) (resid 13 and name CG) 1.0 -60.0 40.0 2
! LEU 14
assign (resid 14 and name N) (resid 14 and name CA)
(resid 14 and name CB) (resid 14 and name CG) 1.0 -60.0 40.0 2
! LYS 15
assign (resid 15 and name N) (resid 15 and name CA)
(resid 15 and name CB) (resid 15 and name CG) 1.0 -60.0 40.0 2
! GLU 26
assign (resid 26 and name N) (resid 26 and name CA)
(resid 26 and name CB) (resid 26 and name CG) 1.0 -60.0 40.0 2
! VAL 32
assign (resid 32 and name N) (resid 32 and name CA)
(resid 32 and name CB) (resid 32 and name CG1) 1.0 60.0 40.0 2
! LYS 36
assign (resid 36 and name N) (resid 36 and name CA)
(resid 36 and name CB) (resid 36 and name CG) 1.0 -60.0 40.0 2
! ARG 37
assign (resid 37 and name N) (resid 37 and name CA)
(resid 37 and name CB) (resid 37 and name CG) 1.0 180.0 40.0 2
! VAL 40
assign (resid 40 and name N) (resid 40 and name CA)
(resid 40 and name CB) (resid 40 and name CG1) 1.0 60.0 40.0 2
! ARG 41
assign (resid 41 and name N) (resid 41 and name CA)
(resid 41 and name CB) (resid 41 and name CG) 1.0 180.0 40.0 2
! LYS 47
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 40.0 2
! ASP 50
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 40.0 2
! SER 55
assign (resid 55 and name N) (resid 55 and name CA)
(resid 55 and name CB) (resid 55 and name OG) 1.0 60.0 40.0 2
! GLU 57
assign (resid 57 and name N) (resid 57 and name CA)
(resid 57 and name CB) (resid 57 and name CG) 1.0 -60.0 40.0 2
! MET 62
assign (resid 62 and name N) (resid 62 and name CA)
(resid 62 and name CB) (resid 62 and name CG) 1.0 -60.0 40.0 2
! MET 70
assign (resid 70 and name N) (resid 70 and name CA)
(resid 70 and name CB) (resid 70 and name CG) 1.0 -60.0 40.0 2
! VAL 73
assign (resid 73 and name N) (resid 73 and name CA)
(resid 73 and name CB) (resid 73 and name CG1) 1.0 60.0 40.0 2
! VAL 74
assign (resid 74 and name N) (resid 74 and name CA)
(resid 74 and name CB) (resid 74 and name CG1) 1.0 60.0 40.0 2
! chi two
! LEU 13
assign (resid 13 and name CA) (resid 13 and name CB)
(resid 13 and name CG) (resid 13 and name CD1) 1.0 180.0 40.0 2
! LEU 14
assign (resid 14 and name CA) (resid 14 and name CB)
(resid 14 and name CG) (resid 14 and name CD1) 1.0 180.0 40.0 2
!END_OF_DATA
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