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
	609964	5kvp	30139	cing	1-original	2	XPLOR/CNS	distance	NOE	ambi

# Restraints file 3: c74aAromaticrings.tbl
?! center average distance constraints to force protons over
! aromatic ring currents.  MUST use CENTER averaging for these



!P18 over Y39 ring
assign (resid 18 and name HB2) (resid 39 and (name CD2 or name CE1)) 2.5 0.0 1.5

!L19 over Y39 ring 
assign (resid 19 and name HG) (resid 39 and (name CD2 or name CE1)) 2.5 0.0 1.5


!I24 over F28 ring

assign (resid 24 and name HG11) (resid 28 and (name CD2 or name CE1)) 2.5 0.0 1.5
assign (resid 24 and name HG12) (resid 28 and (name CD2 or name CE1)) 2.5 0.0 1.5

!N29 over Y31 ring
assign (resid 29 and name HB2) (resid 31 and (name CD2 or name CE1)) 2.5 0.0 1.5


!I107 over Y87 ring
assign (resid 107 and name HD1#) (resid 87 and (name CD2 or name CE1)) 2.5 0.0 1.5

!P130 over W132 ring
assign (resid 130 and name HB2) (resid 132 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5 
assign (resid 130 and name HG2) (resid 132 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5 


!H64 over W69 ring
assign (resid 64 and name HB1) (resid 69 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5 

assign (resid 64 and name HB2) (resid 69 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5 

!P65 over W69 ring
assign (resid 65 and name HD2) (resid 69 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5 

!L68 over W69 ring 
assign (resid 68 and name HD1#) (resid 69 and (name CD1 or name CH2 or name CZ3)) 2.0 0.0 1.5 

!L121 over Y39 ring
assign (resid 121 and name HG) (resid 39 and (name CD2 or name CE1)) 2.5 0.0 1.5

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