NMR Restraints Grid

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

image	mrblock_id	pdb_id	cing	stage	position	program	type
	27465	2rmz	cing	1-original	8	XPLOR/CNS	dihedral angle

! empirical Chi

!Asp, N-terminal, from Biophys J, 87, 3460-3469
assign (resid   8 and name   N)
       (resid   8 and name  CA)
       (resid   8 and name  CB)
       (resid   8 and name  CG) 1.00   -60.000  30.000   2  ! this is the canonical RAMA value

assign (resid   8 and name  CA)
       (resid   8 and name  CB)
       (resid   8 and name  CG)
       (resid   8 and name  OD1) 1.00    0.000  15.000   2  ! this is the canonical RAMA value

!Ser, from JBM, 1984
!+60 is also possible, for a H-bond more toward i-3
assign (resid  15 and name   N)
       (resid  15 and name  CA)
       (resid  15 and name  CB)
       (resid  15 and name  OG) 1.00   -60.000  30.000   2  ! this is the canonical RAMA value

!Met, from Biophys J, 87, 3460-3469
! -60,180,+60 is one good possibility out of three
assign (resid  17 and name   N)
       (resid  17 and name  CA)
       (resid  17 and name  CB)
       (resid  17 and name  CG) 1.00   -60.000  30.000   2  ! this is the canonical RAMA value

assign (resid  17 and name  CA)
       (resid  17 and name  CB)
       (resid  17 and name  CG)
       (resid  17 and name  SD) 1.00   180.000  30.000   2  ! this is the canonical RAMA value

assign (resid  17 and name  CB)
       (resid  17 and name  CG)
       (resid  17 and name  SD)
       (resid  17 and name  CE) 1.00   +60.000  30.000   2  ! this is the canonical RAMA value

!Trp, C-terminal, snorkeling, from Biophys J, 87, 3460-3469
!assign (resid  31 and name   N)
!       (resid  31 and name  CA)
!       (resid  31 and name  CB)
!       (resid  31 and name  CG) 1.00   180.000  30.000   2   ! this is the canonical RAMA value
! defined experimentally

assign (resid  31 and name  CA)
       (resid  31 and name  CB)
       (resid  31 and name  CG)
       (resid  31 and name  CD1) 1.00     0.000  10.000   2  ! points NH toward cytosol, snorkeling

!Lys, N-terminal, snorkeling, no reference
assign (resid  32 and name   N)
       (resid  32 and name  CA)
       (resid  32 and name  CB)
       (resid  32 and name  CG) 1.00  180.000  10.000   2   ! this is the canonical RAMA value

assign (resid  32 and name  CA)
       (resid  32 and name  CB)
       (resid  32 and name  CG)
       (resid  32 and name  CD) 1.00   +60.000  10.000   2   ! Chi2 is adjusted to snorkel

assign (resid  32 and name  CB)
       (resid  32 and name  CG)
       (resid  32 and name  CD)
       (resid  32 and name  CE) 1.00   -60.000  10.000   2  ! Chi3 is adjusted to snorkel

assign (resid  32 and name  CG)
       (resid  32 and name  CD)
       (resid  32 and name  CE)
       (resid  32 and name  NZ) 1.00   180.000  10.000   2   ! this is the canonical RAMA value

!Thr, from JBM, 1984
assign (resid  36 and name   N)
       (resid  36 and name  CA)
       (resid  36 and name  CB)
       (resid  36 and name  OG1) 1.00   -60.000  30.000   2  ! this is the canonical RAMA value

!His, lipid facing, Biophs J, 87, 3460-3469
assign (resid  38 and name   N)
       (resid  38 and name  CA)
       (resid  38 and name  CB)
       (resid  38 and name  CG) 1.00   -60.000  15.000   2    ! adjusted

assign (resid  38 and name  CA)
       (resid  38 and name  CB)
       (resid  38 and name  CG)
       (resid  38 and name  ND1) 1.00   +60.000  15.000   2  ! points ND1 towards lipids, H-bonding i-4

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