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

523248 2ljc 17929 cing 1-original 4 XPLOR/CNS distance NOE simple
!intermonomer NOEs
!Mixed NOESY
assign (segid AN1 and resid 10 and name   HN) (segid AN2 and resid 10 and name HG1#) 2.50 0.50 0.50 
assign (segid AN2 and resid 10 and name   HN) (segid AN3 and resid 10 and name HG1#) 2.50 0.50 0.50 
assign (segid AN3 and resid 10 and name   HN) (segid AN4 and resid 10 and name HG1#) 2.50 0.50 0.50 
assign (segid AN4 and resid 10 and name   HN) (segid AN1 and resid 10 and name HG1#) 2.50 0.50 0.50 

!Mixed NOESY
assign (segid AN1 and resid 11 and name   HN) (segid AN4 and resid  9 and name  HD#) 3.00 0.50 0.50 
assign (segid AN4 and resid 11 and name   HN) (segid AN3 and resid  9 and name  HD#) 3.00 0.50 0.50 
assign (segid AN3 and resid 11 and name   HN) (segid AN2 and resid  9 and name  HD#) 3.00 0.50 0.50 
assign (segid AN2 and resid 11 and name   HN) (segid AN1 and resid  9 and name  HD#) 3.00 0.50 0.50 

!13C NOESY
assign (segid AN1 and resid 11 and name  HG#) (segid AN4 and resid  9 and name   HG) 3.00 0.50 0.50 
assign (segid AN4 and resid 11 and name  HG#) (segid AN3 and resid  9 and name   HG) 3.00 0.50 0.50 
assign (segid AN3 and resid 11 and name  HG#) (segid AN2 and resid  9 and name   HG) 3.00 0.50 0.50 
assign (segid AN2 and resid 11 and name  HG#) (segid AN1 and resid  9 and name   HG) 3.00 0.50 0.50 

!13C NOESY
assign (segid AN1 and resid 16 and name HD1#) (segid AN2 and resid 18 and name   HA) 3.50 0.50 0.50 
assign (segid AN2 and resid 16 and name HD1#) (segid AN3 and resid 18 and name   HA) 3.50 0.50 0.50 
assign (segid AN3 and resid 16 and name HD1#) (segid AN4 and resid 18 and name   HA) 3.50 0.50 0.50 
assign (segid AN4 and resid 16 and name HD1#) (segid AN1 and resid 18 and name   HA) 3.50 0.50 0.50 

!13C NOESY
assign (segid AN1 and resid 16 and name HD1#) (segid AN2 and resid 21 and name  HB#) 4.00 0.50 0.50 
assign (segid AN2 and resid 16 and name HD1#) (segid AN3 and resid 21 and name  HB#) 4.00 0.50 0.50 
assign (segid AN3 and resid 16 and name HD1#) (segid AN4 and resid 21 and name  HB#) 4.00 0.50 0.50 
assign (segid AN4 and resid 16 and name HD1#) (segid AN1 and resid 21 and name  HB#) 4.00 0.50 0.50 

!13C NOESY
assign (segid AN1 and resid 18 and name HG2#) (segid AN4 and resid 16 and name HD1#) 2.50 0.50 0.50 
assign (segid AN4 and resid 18 and name HG2#) (segid AN3 and resid 16 and name HD1#) 2.50 0.50 0.50 
assign (segid AN3 and resid 18 and name HG2#) (segid AN2 and resid 16 and name HD1#) 2.50 0.50 0.50 
assign (segid AN2 and resid 18 and name HG2#) (segid AN1 and resid 16 and name HD1#) 2.50 0.50 0.50 

!13C NOESY
assign (segid AN1 and resid 19 and name  HD#) (segid AN2 and resid 21 and name  HD#) 2.00 0.50 0.50
assign (segid AN2 and resid 19 and name  HD#) (segid AN3 and resid 21 and name  HD#) 2.00 0.50 0.50
assign (segid AN3 and resid 19 and name  HD#) (segid AN4 and resid 21 and name  HD#) 2.00 0.50 0.50
assign (segid AN4 and resid 19 and name  HD#) (segid AN1 and resid 21 and name  HD#) 2.00 0.50 0.50

!Mixed NOESY
assign (segid AN1 and resid 23 and name   HN) (segid AN2 and resid 24 and name HH2) 4.00 0.50 0.50 
assign (segid AN2 and resid 23 and name   HN) (segid AN3 and resid 24 and name HH2) 4.00 0.50 0.50 
assign (segid AN3 and resid 23 and name   HN) (segid AN4 and resid 24 and name HH2) 4.00 0.50 0.50 
assign (segid AN4 and resid 23 and name   HN) (segid AN1 and resid 24 and name HH2) 4.00 0.50 0.50 

!Mixed NOESY
assign (segid AN1 and resid 24 and name   HN) (segid AN2 and resid 24 and name HH2) 3.50 0.50 0.50 
assign (segid AN2 and resid 24 and name   HN) (segid AN3 and resid 24 and name HH2) 3.50 0.50 0.50 
assign (segid AN3 and resid 24 and name   HN) (segid AN4 and resid 24 and name HH2) 3.50 0.50 0.50 
assign (segid AN4 and resid 24 and name   HN) (segid AN1 and resid 24 and name HH2) 3.50 0.50 0.50 

!Aromatic NOESY
assign (segid AN1 and resid 24 and name  HZ2) (segid AN4 and resid 24 and name  HB#) 3.50 0.50 0.50 
assign (segid AN4 and resid 24 and name  HZ2) (segid AN3 and resid 24 and name  HB#) 3.50 0.50 0.50 
assign (segid AN3 and resid 24 and name  HZ2) (segid AN2 and resid 24 and name  HB#) 3.50 0.50 0.50 
assign (segid AN2 and resid 24 and name  HZ2) (segid AN1 and resid 24 and name  HB#) 3.50 0.50 0.50 

!Aromatic NOESY
assign (segid AN1 and resid 28 and name  HD2) (segid AN4 and resid 26 and name HD1#) 2.50 0.50 0.50 
assign (segid AN4 and resid 28 and name  HD2) (segid AN3 and resid 26 and name HD1#) 2.50 0.50 0.50 
assign (segid AN3 and resid 28 and name  HD2) (segid AN2 and resid 26 and name HD1#) 2.50 0.50 0.50 
assign (segid AN2 and resid 28 and name  HD2) (segid AN1 and resid 26 and name HD1#) 2.50 0.50 0.50 

!13C NOESY
assign (segid AN1 and resid 29 and name HD2#) (segid AN2 and resid 31 and name   HN) 3.50 0.50 0.50
assign (segid AN2 and resid 29 and name HD2#) (segid AN3 and resid 31 and name   HN) 3.50 0.50 0.50
assign (segid AN3 and resid 29 and name HD2#) (segid AN4 and resid 31 and name   HN) 3.50 0.50 0.50
assign (segid AN4 and resid 29 and name HD2#) (segid AN1 and resid 31 and name   HN) 3.50 0.50 0.50

!Protein-Drug NOEs
!13C NOESY
assign (segid AN1 and resid 10 and name HG1#) (segid RI1 and resid  1 and name HG#) 2.30 0.50 0.50
assign (segid AN2 and resid 10 and name HG1#) (segid RI1 and resid  1 and name HG#) 2.30 0.50 0.50
assign (segid AN3 and resid 10 and name HG1#) (segid RI1 and resid  1 and name HG#) 2.30 0.50 0.50
assign (segid AN4 and resid 10 and name HG1#) (segid RI1 and resid  1 and name HG#) 2.30 0.50 0.50

!15N NOESY, 2H-labeled protein + unlabeled rimantadine 
assign (segid AN1 and resid 13 and name   HN) (segid RI1 and resid  1 and name HF#) 3.00 0.50 0.50
assign (segid AN2 and resid 13 and name   HN) (segid RI1 and resid  1 and name HF#) 3.00 0.50 0.50
assign (segid AN3 and resid 13 and name   HN) (segid RI1 and resid  1 and name HF#) 3.00 0.50 0.50
assign (segid AN4 and resid 13 and name   HN) (segid RI1 and resid  1 and name HF#) 3.00 0.50 0.50

assign (segid AN1 and resid 14 and name   HN) (segid RI1 and resid  1 and name HF#) 3.00 0.50 0.50
assign (segid AN2 and resid 14 and name   HN) (segid RI1 and resid  1 and name HF#) 3.00 0.50 0.50
assign (segid AN3 and resid 14 and name   HN) (segid RI1 and resid  1 and name HF#) 3.00 0.50 0.50
assign (segid AN4 and resid 14 and name   HN) (segid RI1 and resid  1 and name HF#) 3.00 0.50 0.50
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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	523248	2ljc	17929	cing	1-original	4	XPLOR/CNS	distance	NOE	simple