NMR Restraints Grid

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

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	6498	1j5l	4754	cing	1-original	2	XPLOR/CNS	dihedral angle

! dihedral angle restraints
!!
!! Phi restraints: minimum deviation = 30 degrees

!betac domain
  !!    3
 assign (resid    2 and name c )   (resid    3 and name n )
       (resid    3 and name ca)   (resid    3 and name c )  1.0 -60.0 30.0 2 ! changed
  !!    6  
 assign (resid    5 and name c )   (resid    6 and name n ) 
        (resid    6 and name ca)   (resid    6 and name c )  1.0 -120 30.0 2
  !!    23  exchanged from 8 
 assign (resid    22 and name c )   (resid    23 and name n )
        (resid    23 and name ca)   (resid    23 and name c )  1.0 -60.0 30.0 2 !changed from -120
  !!    16
 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 ! changed from -105
  !!    18
 assign (resid   17 and name c )   (resid   18 and name n )
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -60.0 30.0 2 ! changed from -105
  !!    19
 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
  !!    21
 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
  !!    22 
 assign (resid   21 and name c )   (resid   22 and name n ) 
        (resid   22 and name ca)   (resid   22 and name c )  1.0 -120 40.0 2
  !!    29
 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
  !!    31
  assign (resid  30 and name c )   (resid   31 and name n )
         (resid  31 and name ca)   (resid   31 and name c )  1.0 -120 40.0 2
!!
!! Chi1 restraints: minimum deviation = 30 degrees

  !!3
assign (resid  3 and name n)    (resid  3 and name ca)
       (resid  3 and name cb)   (resid  3 and name sg) 1.0 60 30.0 2
  !!6  
assign (resid  6 and name n)    (resid  6 and name ca)
       (resid  6 and name cb)   (resid  6 and name sg) 1.0 -60 30.0 2
  !!12
assign (resid 12 and name n)    (resid 12 and name ca)
       (resid 12 and name cb)   (resid 12 and name sg) 1.0 -60.0 30.0 2 
  !!18
assign (resid 18 and name n)    (resid 18 and name ca)
       (resid 18 and name cb)   (resid 18 and name sg) 1.0 180.0 30.0 2 
  !!22
assign (resid 22 and name n)    (resid 22 and name ca)
       (resid 22 and name cb)   (resid 22 and name sg) 1.0 -60.0 30.0 2
  !!26
assign (resid 26 and name n)    (resid 26 and name ca)
       (resid 26 and name cb)   (resid 26 and name sg) 1.0 -60.0 30.0 2
  !!29
assign (resid 29 and name n)    (resid 29 and name ca)
       (resid 29 and name cb)   (resid 29 and name sg) 1.0 -60.0 30.0 2

!!
!!metal cluster chi2 restraints
  !!12
assign (resid 12 and name ca)   (resid 12 and name cb)
       (resid 12 and name sg)   (resid 32 and name kr1) 1.0 180.0 40.0 2
  !!18
assign (resid 18 and name ca)   (resid 18 and name cb)
       (resid 18 and name sg)   (resid 32 and name kr1) 1.0 +60.0 40.0 2

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