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	subtype	subsubtype
	553910	2ls0	18404	cing	1-original	7	XPLOR/CNS	distance	general distance	ambi

! center average distance constraints to force protons over
! aromatic ring currents.  MUST use CENTER averaging for these

!K22 HB2 over Y126 ring
assign (resid 22 and name HB2) (resid 126 and (name CD2 or name CE1)) 2.5 0.0 1.5

!Y24 HB1 over F81 ring
assign (resid 24 and name HB1) (resid 81 and (name CD2 or name CE1)) 2.5 0.0 1.5

!Q30 HB2 over W50 5-ring
assign (resid 30 and name HB2) (resid 50 and (name CD1 or name CD2 or name CE2)) 2.5 0.0 1.5

!K31 over W36 ring
assign (resid 31 and name HB2) (resid 36 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5
assign (resid 31 and name HG2) (resid 36 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5

!I32 over W50 ring  
assign (resid 32 and name HD1#) (resid 50 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5 

!R39 over F48 ring  
assign (resid 39 and name HG#) (resid 48 and (name CD2 or name CE1)) 2.0 0.0 1.5   

!I55 methyl HD# over F108 ring
assign (resid 55 and name HD#) (resid 108 and (name CD2 or name CE1)) 2.5 0.0 1.5

!S65 HA over Y80 ring
assign (resid 65 and name HA) (resid 80 and (name CD2 or name CE1)) 2.5 0.0 1.5

!Q105 over W115 ring
assign (resid 105 and name HB2) (resid 115 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5
assign (resid 105 and name HG#) (resid 115 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5

!V106 over 108 ring
assign (resid 106 and name HG1#) (resid 108 and (name CD2 or name CE1)) 2.5 0.0 1.5  

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