NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type

1732 1aww cing 1-original 5 XPLOR/CNS dihedral angle
!
! Chi_1 dihedral angles from hnhb-960627, noesy-960624 and tocsy-960701 
!

  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 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 15 and name N ) ( resid 15 and name CA) 
         ( resid 15 and name CB) ( resid 15 and name CG) 1.0 -60.0 30.0 2

  assign ( resid 16 and name N ) ( resid 16 and name CA) 
         ( resid 16 and name CB) ( resid 16 and name CG) 1.0 -60.0 30.0 2

  assign ( resid 20 and name N ) ( resid 20 and name CA) 
         ( resid 20 and name CB) ( resid 20 and name CG) 1.0 -60.0 30.0 2

  assign ( resid 23 and name N ) ( resid 23 and name CA) 
         ( resid 23 and name CB) ( resid 23 and name CG) 1.0 -60.0 30.0 2

  assign ( resid 27 and name N ) ( resid 27 and name CA) 
         ( resid 27 and name CB) ( resid 27 and name CG) 1.0 -60.0 30.0 2

  assign ( resid 32 and name N ) ( resid 32 and name CA) 
         ( resid 32 and name CB) ( resid 32 and name CG) 1.0 -60.0 30.0 2

  assign ( resid 33 and name N ) ( resid 33 and name CA) 
         ( resid 33 and name CB) ( resid 33 and name CG) 1.0 -60.0 30.0 2

  assign ( resid 34 and name N ) ( resid 34 and name CA) 
         ( resid 34 and name CB) ( resid 34 and name CG) 1.0 -60.0 30.0 2

  assign ( resid 38 and name N ) ( resid 38 and name CA) 
         ( resid 38 and name CB) ( resid 38 and name CG) 1.0 60.0 30.0 2

  assign ( resid 39 and name N ) ( resid 39 and name CA) 
         ( resid 39 and name CB) ( resid 39 and name CG) 1.0 60.0 30.0 2

  assign ( resid 43 and name N ) ( resid 43 and name CA) 
         ( resid 43 and name CB) ( resid 43 and name CG) 1.0 -60.0 30.0 2

  assign ( resid 44 and name N ) ( resid 44 and name CA) 
         ( resid 44 and name CB) ( resid 44 and name CG) 1.0 -60.0 30.0 2

  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 30.0 2

  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 30.0 2

  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 30.0 2

  assign ( resid 52 and name N ) ( resid 52 and name CA) 
         ( resid 52 and name CB) ( resid 52 and name CG) 1.0 -60.0 30.0 2

  assign ( resid 55 and name N ) ( resid 55 and name CA) 
         ( resid 55 and name CB) ( resid 55 and name CG) 1.0 -60.0 30.0 2

  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 30.0 2

! Not sure
  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 45.0 2

! Not sure
  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 45.0 2


! Residue 12 Valine in g+ conformation
  assign ( resid 12 and name N ) ( resid 12 and name CA) 
         ( resid 12 and name CB) ( resid 12 and name CG1) 1.0 -180.0 45.0 2


!
! Phi dihedral angles from hnha-960624 
! Phi = -120 +- 30 from 9.0 Hz >= Jhnha >= 8.0 Hz
! Phi = -120 +- 20 from Jhnha >= 9.0 Hz
!

  assign ( resid 9 and name C ) ( resid 10 and name N ) 
         ( resid 10 and name CA) ( resid 10 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 10 and name C ) ( resid 11 and name N ) 
         ( resid 11 and name CA) ( resid 11 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 11 and name C ) ( resid 12 and name N ) 
         ( resid 12 and name CA) ( resid 12 and name C ) 1.0 -120.0 40.0 2

  assign ( resid 17 and name C ) ( resid 18 and name N ) 
         ( resid 18 and name CA) ( resid 18 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 19 and name C ) ( resid 20 and name N ) 
         ( resid 20 and name CA) ( resid 20 and name C ) 1.0 -120.0 60.0 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 60.0 2

  assign ( resid 22 and name C ) ( resid 23 and name N ) 
         ( resid 23 and name CA) ( resid 23 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 26 and name C ) ( resid 27 and name N ) 
         ( resid 27 and name CA) ( resid 27 and name C ) 1.0 -120.0 40.0 2

  assign ( resid 27 and name C ) ( resid 28 and name N ) 
         ( resid 28 and name CA) ( resid 28 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 31 and name C ) ( resid 32 and name N ) 
         ( resid 32 and name CA) ( resid 32 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 32 and name C ) ( resid 33 and name N ) 
         ( resid 33 and name CA) ( resid 33 and name C ) 1.0 -120.0 40.0 2
 
  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 60.0 2

  assign ( resid 34 and name C ) ( resid 35 and name N ) 
         ( resid 35 and name CA) ( resid 35 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 35 and name C ) ( resid 36 and name N ) 
         ( resid 36 and name CA) ( resid 36 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 42 and name C ) ( resid 43 and name N ) 
         ( resid 43 and name CA) ( resid 43 and name C ) 1.0 -120.0 40.0 2

  assign ( resid 43 and name C ) ( resid 44 and name N ) 
         ( resid 44 and name CA) ( resid 44 and name C ) 1.0 -120.0 40.0 2

  assign ( resid 44 and name C ) ( resid 45 and name N ) 
         ( resid 45 and name CA) ( resid 45 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 45 and name C ) ( resid 46 and name N ) 
         ( resid 46 and name CA) ( resid 46 and name C ) 1.0 -120.0 40.0 2

  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 60.0 2

  assign ( resid 47 and name C ) ( resid 48 and name N ) 
         ( resid 48 and name CA) ( resid 48 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 49 and name C ) ( resid 50 and name N ) 
         ( resid 50 and name CA) ( resid 50 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 52 and name C ) ( resid 53 and name N ) 
         ( resid 53 and name CA) ( resid 53 and name C ) 1.0 -120.0 40.0 2

  assign ( resid 54 and name C ) ( resid 55 and name N ) 
         ( resid 55 and name CA) ( resid 55 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 55 and name C ) ( resid 56 and name N ) 
         ( resid 56 and name CA) ( resid 56 and name C ) 1.0 -120.0 40.0 2

  assign ( resid 58 and name C ) ( resid 59 and name N ) 
         ( resid 59 and name CA) ( resid 59 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 59 and name C ) ( resid 60 and name N ) 
         ( resid 60 and name CA) ( resid 60 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 60 and name C ) ( resid 61 and name N ) 
         ( resid 61 and name CA) ( resid 61 and name C ) 1.0 -120.0 40.0 2

  assign ( resid 61 and name C ) ( resid 62 and name N ) 
         ( resid 62 and name CA) ( resid 62 and name C ) 1.0 -120.0 60.0 2

  assign ( resid 62 and name C ) ( resid 63 and name N ) 
         ( resid 63 and name CA) ( resid 63 and name C ) 1.0 -60.0 40.0 2
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Monday, April 29, 2024 5:34:23 AM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	position	program	type
	1732	1aww	cing	1-original	5	XPLOR/CNS	dihedral angle