NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type
1172 1ab3 cing 1-original 1 XPLOR/CNS dihedral angle



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!
! Dihedral angle restraints for S15
!
! restraints dihedral
!
! Chi_1 dihedral angles from  and 
!
  assign ( resid 6 and name N  ) ( resid 6 and name CA ) 
         ( resid 6 and name CB ) ( resid 6 and name CG ) 1.0 -60.0 30.0 2

  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 30.0 2

  assign ( resid 25 and name N  ) ( resid 25 and name CA ) 
         ( resid 25 and name CB ) ( resid 25 and name CG ) 1.0 -60.0 30.0 2

  assign ( resid 30 and name N  ) ( resid 30 and name CA ) 
         ( resid 30 and name CB ) ( resid 30 and name CG ) 1.0 60.0 30.0 2

  assign ( resid 31 and name N  ) ( resid 31 and name CA ) 
         ( resid 31 and name CB ) ( resid 31 and name CG ) 1.0 60.0 30.0 2

  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 30.0 2

  assign ( resid 45 and name N  ) ( resid 45 and name CA ) 
         ( resid 45 and name CB ) ( resid 45 and name CG ) 1.0 -60.0 30.0 2

  assign ( resid 56 and name N  ) ( resid 56 and name CA ) 
         ( resid 56 and name CB ) ( resid 56 and name CG ) 1.0 -60.0 30.0 2

  assign ( resid 87 and name N  ) ( resid 87 and name CA ) 
         ( resid 87 and name CB ) ( resid 87 and name CG ) 1.0 -60.0 30.0 2



!
! Chi_1 dihedrals for Val, Ile and Thr (use larger tolerances )
!


!  assign ( resid 65 and name N  ) ( resid 65 and name CA ) 
!         ( resid 65 and name CB ) ( resid 65 and name CG1 ) 1.0 -60.0 45.0 2




!
! Chi_2 dihedrals for Leu (use larger tolerances )
!
!  assign ( resid 16 and name CA  ) ( resid 16 and name CB ) 
!         ( resid 16 and name CG ) ( resid 16 and name CD1 ) 1.0 180.0 45.0 2
!
!  assign ( resid 17 and name CA  ) ( resid 17 and name CB ) 
!         ( resid 17 and name CG ) ( resid 17 and name CD1 ) 1.0 180.0 45.0 2
!

!
! Phi dihedral angles from hnha-951107 
!
  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

  assign ( resid 4 and name C  ) ( resid 5 and name N  ) 
         ( resid 5 and name CA ) ( resid 5 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 5 and name C  ) ( resid 6 and name N  ) 
         ( resid 6 and name CA ) ( resid 6 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 7 and name C  ) ( resid 8 and name N  ) 
         ( resid 8 and name CA ) ( resid 8 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 9 and name C  ) ( resid 10 and name N  ) 
         ( resid 10 and name CA ) ( resid 10 and name C  ) 1.0 -60.0 30.0 2

  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

  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

  assign ( resid 19 and name C  ) ( resid 20 and name N  ) 
         ( resid 20 and name CA ) ( resid 20 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 20 and name C  ) ( resid 21 and name N  ) 
         ( resid 21 and name CA ) ( resid 21 and name C  ) 1.0 -120.0 30.0 2

  assign ( resid 27 and name C  ) ( resid 28 and name N  ) 
         ( resid 28 and name CA ) ( resid 28 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 28 and name C  ) ( resid 29 and name N  ) 
         ( resid 29 and name CA ) ( resid 29 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 30 and name C  ) ( resid 31 and name N  ) 
         ( resid 31 and name CA ) ( resid 31 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 31 and name C  ) ( resid 32 and name N  ) 
         ( resid 32 and name CA ) ( resid 32 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 32 and name C  ) ( resid 33 and name N  ) 
         ( resid 33 and name CA ) ( resid 33 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 34 and name C  ) ( resid 35 and name N  ) 
         ( resid 35 and name CA ) ( resid 35 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 37 and name C  ) ( resid 38 and name N  ) 
         ( resid 38 and name CA ) ( resid 38 and name C  ) 1.0 -60.0 30.0 2

  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

  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

  assign ( resid 41 and name C  ) ( resid 42 and name N  ) 
         ( resid 42 and name CA ) ( resid 42 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 42 and name C  ) ( resid 43 and name N  ) 
         ( resid 43 and name CA ) ( resid 43 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 52 and name C  ) ( resid 53 and name N  ) 
         ( resid 53 and name CA ) ( resid 53 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 54 and name C  ) ( resid 55 and name N  ) 
         ( resid 55 and name CA ) ( resid 55 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 68 and name C  ) ( resid 69 and name N  ) 
         ( resid 69 and name CA ) ( resid 69 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 69 and name C  ) ( resid 70 and name N  ) 
         ( resid 70 and name CA ) ( resid 70 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 75 and name C  ) ( resid 76 and name N  ) 
         ( resid 76 and name CA ) ( resid 76 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 80 and name C  ) ( resid 81 and name N  ) 
         ( resid 81 and name CA ) ( resid 81 and name C  ) 1.0 -60.0 30.0 2

  assign ( resid 85 and name C  ) ( resid 86 and name N  ) 
         ( resid 86 and name CA ) ( resid 86 and name C  ) 1.0 -120.0 30.0 2
!
!added 960419 use larger tolerances, possibly not totally correct 

  assign ( resid 65 and name C  ) ( resid 66 and name N  ) 
         ( resid 66 and name CA ) ( resid 66 and name C  ) 1.0 -60.0 40.0 2

  assign ( resid 66 and name C  ) ( resid 67 and name N  ) 
         ( resid 67 and name CA ) ( resid 67 and name C  ) 1.0 -60.0 40.0 2

!
!
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