NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord stage position program type subtype subsubtype

12745 1tit cing recoord 1-original 3 XPLOR/CNS distance NOE ambi

!! ambiguous distance restraints
!! the residue numbers are shifted by 2 
!! with respect to the deposited sequence
!! (i.e. Leu1 -> resid 3; Ile2 -> resid 4 etc.)

assign ((resid 9 and name hb# ) or (resid 13 and name hb )) (resid 11 and name he# ) 3.70 8.00 0.50 !
assign (resid 16 and (name hd# or name he# )) (resid 16 and name hn ) 3.20 8.00 0.50 !
assign (resid 16 and name ha ) (resid 16 and (name hd# or name he# )) 2.70 8.00 0.50 !
assign ((resid 10 and name hd1# ) or (resid 13 and name hg2# )) (resid 23 and (name he# or name hz )) 3.60 8.00 0.50 !
assign ((resid 10 and name hd1# ) or (resid 13 and name hg2# )) (resid 23 and name hd#) 3.30 8.00 0.50 !
assign (resid 13 and name hn ) (resid 23 and (name he# or name hz )) 4.50 8.00 0.50 !              
assign (resid 13 and name hb ) (resid 23 and (name he# or name hz )) 4.10 8.00 0.50 !              
assign ((resid 13 and name hg1# ) or (resid 60 and name hb1 )) (resid 23 and (name he# or name hz )) 4.00 8.00 0.50 !
assign ((resid 13 and name hg1# ) or (resid 60 and name hb1 )) (resid 23 and name hd#) 4.80 8.00 0.50 !
assign (resid 25 and name hg2# ) (resid 75 and (name hd# or name he# or name hz )) 3.60 8.00 0.50 !                             
assign (resid 27 and name hg ) (resid 75 and (name hd# or name he# or name hz )) 3.80 8.00 0.50 !              
assign (resid 27 and name hd1# ) (resid 75 and (name hd# or name he# or name hz )) 3.00 8.00 0.50 !       
assign (resid 27 and name hd2# ) (resid 75 and (name he# or name hd# or name hz )) 2.80 8.00 0.50 !              
assign (resid 27 and name hd2# ) (resid 75 and (name hd# or name he# or name hz )) 3.20 8.00 0.50 !              
assign (resid 34 and name ha1 ) (resid 75 and (name hd# or name he# or name hz )) 4.40 8.00 0.50 !              
assign (resid 34 and name hn ) (resid 75 and (name hd# or name he# or name hz )) 3.80 8.00 0.50 !              
assign (resid 34 and name ha1 ) (resid 75 and (name hd# or name he# or name hz )) 4.30 8.00 0.50 !              
assign (resid 58 and name hb1 ) (resid 75 and (name hd# or name he# or name hz )) 4.80 8.00 0.50 !              
assign (resid 60 and name hd# ) (resid 23 and (name he# or name hz )) 5.30 8.00 0.50 !              
assign (resid 73 and name hg1# ) (resid 23 and (name he# or name hz )) 4.70 8.00 0.50 !              
assign (resid 73 and name hg2# ) (resid 23 and (name he# or name hz )) 4.10 8.00 0.50 !         
assign (resid 73 and name hg2# ) ((resid 38 and name hd# ) or (resid 67 and name hd2# )) 2.90 8.00 0.50 ! 
assign (resid 84 and name hb# ) (resid 23 and (name he# or name hz )) 2.60 8.00 0.50 !              
assign (resid 86 and name ha ) (resid 23 and (name he# or name hz )) 4.30 8.00 0.50 !              
assign (resid 86 and name hb# ) (resid 23 and (name he# or name hz )) 4.00 8.00 0.50 !              
assign (resid 86 and name hg ) (resid 23 and (name he# or name hz )) 3.80 8.00 0.50 !              
assign (resid 89 and name hb2 ) (resid 16 and (name hd# or name he# )) 3.20 8.00 0.50 !              
assign (resid 89 and name hb1 ) (resid 16 and (name hd# or name he# )) 3.60 8.00 0.50 !              
assign (resid 91 and name hd1# ) (resid 16 and (name hd# or name he# )) 2.70 8.00 0.50 !
assign (resid 75 and (name hd# or name he# or name hz )) (resid 36 and name he1 ) 3.60 8.00 0.50 !
assign (resid 75 and (name hd# or name he# or name hz )) (resid 36 and name HD1 ) 4.20 8.00 0.50 !              
assign (resid 75 and (name hd# or name he# or name hz )) (resid 58 and name he1 ) 3.90 8.00 0.50 !              
assign (resid 77 and name hb# ) (resid 75 and (name hd# or name he# or name hz )) 3.00 8.00 0.50 !              
assign (resid 77 and name hb# ) (resid 75 and (name hd# or name he# or name hz )) 2.70 8.00 0.50 !
assign ((resid 62 and name hd1# ) or (resid 86 and name hd2# )) (resid 23 and (name he# or name hz )) 3.50 8.00 0.50 !
assign ((resid 62 and name hd1# ) or (resid 86 and name hd2# )) (resid 23 and name hd# ) 3.50 8.00 0.50 !                                  
assign (resid 25 and (name hd1# or name hg12 )) (resid 25 and name hg2# ) 2.30 8.00 0.50 !
assign (resid 25 and (name hd1# or name hg12 )) (resid 26 and name hn ) 3.20 8.00 0.50 !                
assign (resid 25 and (name hd1# or name hg12 )) (resid 75 and (name hd# or name he# or name hz )) 3.70 8.00 0.50 !
assign (resid 25 and (name hd1# or name hg12 )) (resid 9 and name ha ) 3.00 8.00 0.50 !
assign (resid 25 and (name hd1# or name hg12 )) (resid 10 and name hd2# ) 3.00 8.00 0.50 !
assign (resid 25 and (name hd1# or name hg12 )) (resid 10 and name hn) 3.60 8.00 0.50 !
assign (resid 25 and (name hd1# or name hg12 )) (resid 82 and name hb2) 2.50 8.00 0.50 !
assign (resid 25 and (name hd1# or name hg12 )) (resid 82 and name hb1) 2.60 8.00 0.50 !
assign ((resid 86 and name hd2# ) or (resid 38 and name hd# )) (resid 73 and name hg2# ) 2.80 8.00 0.50 !           
assign (resid 51 and (name hg2# or name hg11 )) (resid 52 and name hn ) 3.30 8.00 0.50 !
assign (resid 51 and (name hg2# or name hg11 )) (resid 36 and name he1 ) 3.20 8.00 0.50 !
assign (resid 51 and (name hg2# or name hg11 )) (resid 36 and name hd1 ) 3.00 8.00 0.50 !
assign (resid 51 and (name hg2# or name hg11 )) (resid 60 and name hd# ) 2.60 8.00 0.50 !

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image	mrblock_id	pdb_id	cing	in_recoord	stage	position	program	type	subtype	subsubtype
	12745	1tit	cing	recoord	1-original	3	XPLOR/CNS	distance	NOE	ambi