NMR Restraints Grid

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

image	mrblock_id	pdb_id	cing	stage	position	program	type
	471098	2kvn	cing	1-original	2	XPLOR/CNS	planarity

! file: plane.dat
! Planar restraints to maintain base pair planarity
! PBM from A. Szewczak 
!
! For sjsp1 by smh 9/2009
!
! NOTE: $PSCALE MUST BE DEFINED WITHIN THIS FILE OR IN EACH PROTOCOL!
! OTHERWISE THE DEFAULT IS: 300kcal/mol/A^2
! if defined both here and .inp, .inp value is used.
!
evaluate ($pscale =150)  
!evaluate ($pscale =15)  


! G1-C16 WC
!--------------------------------------------------------------------
group
selection=     ((resid  1 and name N1) or (resid  1 and name N3) or
  (resid  1 and name C5) or (resid 16 and name N1) or
   (resid 16 and name N3) or (resid 16 and name C5))
weight = $pscale end
!
! G2-C15 WC
!--------------------------------------------------------------------
group
selection=     ((resid  2 and name N1) or (resid  2 and name N3) or
  (resid  2 and name C5) or (resid 15 and name N1) or
   (resid 15 and name N3) or (resid 15 and name C5))
weight = $pscale end
!
! U3-A14 WC
!--------------------------------------------------------------------
group
selection=     ((resid   3 and name N1) or (resid  3 and name N3) or
  (resid   3 and name C5) or (resid 14 and name N1) or
   (resid  14 and name N3) or (resid 14 and name C5))
weight = $pscale end
!
! G4-C13 WC
!--------------------------------------------------------------------
group
selection=     ((resid  4 and name N1) or (resid  4 and name N3) or
  (resid  4 and name C5) or (resid 13 and name N1) or
   (resid 13 and name N3) or (resid 13 and name C5))
weight = $pscale end
!
! A5-U12 WC
!--------------------------------------------------------------------
group
selection=     ((resid 5 and name N1) or (resid  5 and name N3) or 
  (resid 5 and name C5) or (resid   12 and name N1) or
   (resid  12 and name N3) or (resid   12 and name C5))
weight = $pscale end
         {  G                           C  }
        assign (resid 1 and name H1 ) (resid 16 and name N3 )  2.5 0.3 0.3
        assign (resid 1 and name O6 ) (resid 16 and name H42 ) 2.5 0.3 0.3
        assign (resid 1 and name H22 ) (resid 16 and name O2 ) 2.5 0.3 0.3
    
    {  G                           C  }
        assign (resid 2 and name H1 ) (resid 15 and name N3 )  2.5 0.3 0.3
        assign (resid 2 and name O6 ) (resid 15 and name H42 ) 2.5 0.3 0.3
        assign (resid 2 and name H22 ) (resid 15 and name O2 ) 2.5 0.3 0.3

         {  U                           A }
        assign (resid 3 and name H3 ) (resid 14 and name N1 )  2.3 0.3 0.3
        assign (resid 3 and name O4 ) (resid 14 and name H62 ) 2.3 0.3 0.3

         {  G                           C  }
        assign (resid 4 and name H1 ) (resid 13 and name N3 )  2.3 0.3 0.3
        assign (resid 4 and name O6 ) (resid 13 and name H42 ) 2.3 0.3 0.3
        assign (resid 4 and name H22 ) (resid 13 and name O2 ) 2.3 0.3 0.3

     {  A                           U }
        assign (resid 5 and name N1 ) (resid 12 and name H3 ) 2.5 1.5 1.5
        assign (resid 5 and name H62 ) (resid 12 and name O4 )  2.5 1.5 1.5

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