NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype

1037 1a1p cing 1-original 1 XPLOR/CNS distance NOE simple
!This file contains restraint lists for NOEs, dihedral angles and 3JNH-Ha coupling constants. 
 
!NOE restraints of Compstatin 
!c3bp_noe.tbl 
 
assign ( resid 7 and name HE1 ) ( resid 7 and name HD1 ) 2.9 1.1 0 
assign ( resid 7 and name HE1 ) ( resid 7 and name HZ2 ) 3.5 1.7 0 
 
assign ( resid 2 and name HN ) ( resid 1 and name HA ) 3.5 1.7 0 
assign ( resid 2 and name HN ) ( resid 2 and name HB# ) 5.0 3.2 0 
assign ( resid 2 and name HN ) ( resid 1 and name HB ) 6.0 3.0 0 
 
assign ( resid 3 and name HN ) ( resid 4 and name HN ) 3.5 1.7 0 
assign ( resid 3 and name HN ) ( resid 2 and name HB# ) 3.5 1.7 0 
assign ( resid 3 and name HN ) ( resid 2 and name HA ) 3.5 1.7 0 
assign ( resid 3 and name HN ) ( resid 3 and name HG** ) 2.9 1.1 0.5 
assign ( resid 3 and name HN ) ( resid 3 and name HA ) 3.5 1.7 0 
assign ( resid 3 and name HN ) ( resid 3 and name HB ) 3.5 1.7 0 
 
assign ( resid 12 and name HN ) ( resid 11 and name HN ) 3.5 1.7 0 
!assign ( resid 12 and name HN ) ( resid 11 and name HB2 ) 5.0 3.2 0 
!assign ( resid 12 and name HN ) ( resid 11 and name HB1 ) 5.0 3.2 0 
assign ( resid 12 and name HN ) ( resid 11 and name HB# ) 5.0 3.2 0 
assign ( resid 12 and name HN ) ( resid 11 and name HG# ) 5.0 3.2 0 
assign ( resid 12 and name HN ) ( resid 12 and name HB2 ) 3.5 1.7 0 
assign ( resid 12 and name HN ) ( resid 12 and name HB1 ) 3.5 1.7 0 
assign ( resid 12 and name HN ) ( resid 11 and name HA ) 2.9 1.1 0 
assign ( resid 12 and name HN ) ( resid 12 and name HA ) 5.0 3.2 0 
 
assign ( resid 10 and name HN ) ( resid 10 and name HB# ) 3.5 1.7 0 
assign ( resid 10 and name HN ) ( resid 10 and name HA ) 3.5 1.7 0 
 
assign ( resid 11 and name HN ) ( resid 10 and name HA ) 3.5 1.7 0 
assign ( resid 11 and name HN ) ( resid 10 and name HB# ) 3.5 1.7 0 
!assign ( resid 11 and name HN ) ( resid 11 and name HB1 ) 3.5 1.7 0 
!assign ( resid 11 and name HN ) ( resid 11 and name HB2 ) 2.9 1.1 0 
assign ( resid 11 and name HN ) ( resid 11 and name HB# ) 3.5 1.7 0 
assign ( resid 11 and name HN ) ( resid 11 and name HG# ) 3.5 1.7 0 
assign ( resid 11 and name HN ) ( resid 11 and name HA ) 5.0 3.2 0 
 
assign ( resid 8 and name HN ) ( resid 7 and name HB# ) 3.5 1.7 0 
assign ( resid 5 and name HN ) ( resid 4 and name HA ) 2.9 1.1 0 
assign ( resid 8 and name HN ) ( resid 9 and name HN ) 3.5 1.7 0 
!assign ( resid 5 and name HN ) ( resid 4 and name HG1# ) 5.0 3.2 0.5 
!assign ( resid 5 and name HN ) ( resid 4 and name HG2# ) 3.5 1.7 0.5 
assign ( resid 5 and name HN ) ( resid 4 and name HG** ) 3.5 1.7 0.5 
assign ( resid 5 and name HN ) ( resid 5 and name HA ) 3.5 1.7 0 
 
assign ( resid 8 and name HN ) ( resid 7 and name HN ) 3.5 1.7 0 
assign ( resid 5 and name HN ) ( resid 6 and name HN ) 3.5 1.7 0 
assign ( resid 5 and name HN ) ( resid 5 and name HG# ) 3.5 1.7 0 
assign ( resid 5 and name HN ) ( resid 3 and name HG** ) 5.0 3.2 0.5 
assign ( resid 5 and name HN ) ( resid 4 and name HB ) 3.5 1.7 0 
assign ( resid 8 and name HN ) ( resid 8 and name HA# ) 2.9 1.1 0 
assign ( resid 8 and name HN ) ( resid 7 and name HA ) 3.5 1.7 0 
 
assign ( resid 13 and name HN ) ( resid 13 and name HB ) 5.0 3.2 0 
assign ( resid 13 and name HN ) ( resid 12 and name HB1 ) 5.0 3.2 0 
assign ( resid 13 and name HN ) ( resid 13 and name HG2# ) 5.0 3.2 0.5 
assign ( resid 13 and name HN ) ( resid 13 and name HA ) 5.0 3.2 0 
assign ( resid 13 and name HN ) ( resid 12 and name HA ) 3.5 1.7 0 
 
assign ( resid 9 and name HE1 ) ( resid 9 and name HD2 ) 5.0 3.2 0 
 
!assign ( resid 4 and name HN ) ( resid 4 and name HG1# ) 3.5 1.7 0.5 
!assign ( resid 4 and name HN ) ( resid 4 and name HG2# ) 5.0 3.2 0.5 
assign ( resid 4 and name HN ) ( resid 4 and name HG** ) 3.5 1.7 0.5 
assign ( resid 4 and name HN ) ( resid 3 and name HG** ) 3.5 1.7 0.5 
assign ( resid 4 and name HN ) ( resid 4 and name HA ) 3.5 1.7 0 
assign ( resid 4 and name HN ) ( resid 4 and name HB ) 2.9 1.1 0 
assign ( resid 4 and name HN ) ( resid 3 and name HB ) 3.5 1.7 0 
assign ( resid 4 and name HN ) ( resid 3 and name HA ) 2.9 1.1 0 
 
assign ( resid 10 and name HE1 ) ( resid 10 and name HD2 ) 5.0 3.2 0 
 
assign ( resid 6 and name HN ) ( resid 6 and name HA ) 5.0 3.2 0 
assign ( resid 6 and name HN ) ( resid 5 and name HB# ) 3.5 1.7 0 
assign ( resid 6 and name HN ) ( resid 7 and name HN ) 3.5 1.7 0 
assign ( resid 6 and name HN ) ( resid 6 and name HB# ) 2.9 1.1 0 
assign ( resid 6 and name HN ) ( resid 5 and name HA ) 2.9 1.1 0 
assign ( resid 6 and name HN ) ( resid 5 and name HG# ) 5.0 3.2 0 
 
assign ( resid 9 and name HN ) ( resid 9 and name HA ) 5.0 3.2 0 
assign ( resid 9 and name HN ) ( resid 8 and name HA# ) 3.5 1.7 0 
assign ( resid 9 and name HN ) ( resid 9 and name HB2 ) 3.5 1.7 0 
assign ( resid 9 and name HN ) ( resid 9 and name HB1 ) 3.5 1.7 0 
 
assign ( resid 7 and name HN ) ( resid 7 and name HE3 ) 5.0 3.2 0 
assign ( resid 7 and name HN ) ( resid 7 and name HA ) 3.5 1.7 0 
assign ( resid 7 and name HN ) ( resid 6 and name HA ) 3.5 1.7 0 
assign ( resid 7 and name HN ) ( resid 6 and name HB# ) 3.5 1.7 0 
assign ( resid 7 and name HN ) ( resid 7 and name HD1 ) 5.0 3.2 0 
assign ( resid 7 and name HN ) ( resid 7 and name HB# ) 2.9 1.1 0 
assign ( resid 7 and name HN ) ( resid 5 and name HB# ) 5.0 3.2 0 
assign ( resid 7 and name HN ) ( resid 5 and name HG# ) 5.0 3.2 0 
 
assign ( resid 13 and name H1 ) ( resid 13 and name HA ) 3.5 1.7 0 
assign ( resid 13 and name H1 ) ( resid 13 and name HB ) 5.0 3.2 0 
assign ( resid 13 and name H1 ) ( resid 13 and name H2 ) 2.9 1.1 0 
assign ( resid 13 and name H1 ) ( resid 13 and name HG2# ) 5.0 3.2 0.5 
 
assign ( resid 7 and name HE3 ) ( resid 7 and name HZ3 ) 2.7 0.9 0 
assign ( resid 7 and name HE3 ) ( resid 8 and name HA# ) 5.0 3.2 0 
assign ( resid 7 and name HE3 ) ( resid 7 and name HB# ) 3.3 1.5 0 
assign ( resid 7 and name HE3 ) ( resid 7 and name HA ) 5.0 3.2 0 
 
assign ( resid 7 and name HZ2 ) ( resid 7 and name HH2 ) 2.7 0.9 0 
 
!assign ( resid 5 and name HE21 ) ( resid 5 and name HB# ) 6.0 3.0 0 
!assign ( resid 5 and name HE21 ) ( resid 5 and name HG# ) 3.5 1.7 0 
!assign ( resid 5 and name HE22 ) ( resid 5 and name HG# ) 5.0 3.2 0 
assign ( resid 5 and name HE2# ) ( resid 5 and name HG# ) 3.5 1.7 0 
assign ( resid 5 and name HE2# ) ( resid 5 and name HB# ) 6.0 3.0 0 
assign ( resid 5 and name HE21 ) ( resid 5 and name HE22 ) 2.9 1.1 0 
 
assign ( resid 13 and name H2 ) ( resid 13 and name HA ) 5.0 3.2 0 
assign ( resid 13 and name H2 ) ( resid 13 and name HB ) 5.0 3.2 0 
assign ( resid 13 and name H2 ) ( resid 13 and name HG2# ) 6.0 3.0 0.5 
 
assign ( resid 7 and name HD1 ) ( resid 7 and name HB# ) 3.3 1.5 0 
assign ( resid 7 and name HD1 ) ( resid 7 and name HA ) 5.0 3.2 0 
 
!assign ( resid 11 and name HE ) ( resid 11 and name HB2 ) 5.0 3.2 0 
assign ( resid 11 and name HE ) ( resid 11 and name HB# ) 5.0 3.2 0 
assign ( resid 11 and name HE ) ( resid 11 and name HG# ) 5.0 3.2 0 
assign ( resid 11 and name HE ) ( resid 11 and name HD# ) 5.0 3.2 0 
 
assign ( resid 7 and name HH2 ) ( resid 7 and name HZ3 ) 2.7 0.9 0 
 
assign ( resid 9 and name HD2 ) ( resid 9 and name HB2 ) 5.0 3.2 0 
assign ( resid 9 and name HD2 ) ( resid 9 and name HB1 ) 5.0 3.2 0 
 
assign ( resid 10 and name HD2 ) ( resid 10 and name HB# ) 3.3 1.5 0 
 
assign ( resid 11 and name HH11 ) ( resid 11 and name HH12 ) 2.9 1.1 0 
 
assign ( resid 7 and name HA ) ( resid 7 and name HB# ) 3.3 1.5 0 
 
assign ( resid 6 and name HA ) ( resid 6 and name HB# ) 3.3 1.5 0 
 
!assign ( resid 11 and name HA ) ( resid 11 and name HB1 ) 3.3 1.5 0 
!assign ( resid 11 and name HA ) ( resid 11 and name HB2 ) 3.3 1.5 0 
assign ( resid 11 and name HA ) ( resid 11 and name HB# ) 3.3 1.5 0 
assign ( resid 11 and name HA ) ( resid 11 and name HG# ) 3.3 1.5 0 
 
assign ( resid 13 and name HA ) ( resid 13 and name HG2# ) 5.0 3.2 0.5 
 
assign ( resid 5 and name HA ) ( resid 5 and name HG# ) 3.3 1.5 0 
assign ( resid 5 and name HA ) ( resid 5 and name HB# ) 2.7 0.9 0 
 
assign ( resid 13 and name HB ) ( resid 13 and name HG2# ) 3.3 1.5 0.5 
 
assign ( resid 3 and name HA ) ( resid 3 and name HG** ) 2.7 0.9 0.5 
assign ( resid 3 and name HA ) ( resid 3 and name HB ) 3.3 1.5 0 
!assign ( resid 3 and name HA ) ( resid 4 and name HG2# ) 5.0 3.2 0.5 
assign ( resid 3 and name HA ) ( resid 4 and name HG** ) 5.0 3.2 0.5 
 
assign ( resid 1 and name HA ) ( resid 1 and name HD1# ) 5.0 3.2 0.5 
assign ( resid 1 and name HA ) ( resid 1 and name HG2# ) 5.0 3.2 0.5 
assign ( resid 1 and name HA ) ( resid 1 and name HB ) 3.3 1.5 0 
 
!assign ( resid 1 and name HB ) ( resid 1 and name HG11 ) 5.0 3.2 0 
!assign ( resid 1 and name HB ) ( resid 1 and name HG12 ) 5.0 3.2 0 
assign ( resid 1 and name HB ) ( resid 1 and name HG1# ) 5.0 3.2 0 
assign ( resid 1 and name HB ) ( resid 1 and name HG2# ) 3.3 1.5 0.5  
 
assign ( resid 4 and name HA ) ( resid 4 and name HB ) 3.3 1.5 0 
!assign ( resid 4 and name HA ) ( resid 4 and name HG2# ) 3.3 1.5 0.5 
!assign ( resid 4 and name HA ) ( resid 4 and name HG1# ) 3.3 1.5 0.5 
assign ( resid 4 and name HA ) ( resid 4 and name HG** ) 3.3 1.5 0.5 
 
assign ( resid 3 and name HB ) ( resid 3 and name HG** ) 2.7 0.9 0.5 
!assign ( resid 4 and name HB ) ( resid 4 and name HG1# ) 2.7 0.9 0.5 
!assign ( resid 4 and name HB ) ( resid 4 and name HG2# ) 2.7 0.9 0.5 
assign ( resid 4 and name HB ) ( resid 4 and name HG** ) 2.7 0.9 0.5 
 
assign ( resid 9 and name HB1 ) ( resid 9 and name HB2 ) 2.7 0.9 0 
 
assign ( resid 12 and name HB1 ) ( resid 12 and name HB2 ) 2.7 0.9 0 
 
!assign ( resid 11 and name HD# ) ( resid 11 and name HB2 ) 3.3 1.5 0 
!assign ( resid 11 and name HD# ) ( resid 11 and name HB1 ) 3.3 1.5 0 
assign ( resid 11 and name HD# ) ( resid 11 and name HB# ) 3.3 1.5 0 
assign ( resid 11 and name HD# ) ( resid 11 and name HG# ) 2.7 0.9 0 
 
assign ( resid 5 and name HN ) ( resid 3 and name HG** ) 5.0 3.2 0.5 
!assign ( resid 5 and name HE21 ) ( resid 3 and name HG** ) 6.0 3.0 0.5 
!assign ( resid 5 and name HE2# ) ( resid 3 and name HG** ) 6.0 3.0 0.5 
!assign ( resid 5 and name HE21 ) ( resid 4 and name HG** ) 6.0 3.0 0.5 
!assign ( resid 5 and name HE2# ) ( resid 4 and name HG** ) 6.0 3.0 0.5 
assign ( resid 6 and name HN ) ( resid 3 and name HG** ) 5.0 3.2 0.5 
!assign ( resid 6 and name HN ) ( resid 4 and name HG2# ) 5.0 3.2 0.5 
assign ( resid 6 and name HN ) ( resid 4 and name HG** ) 5.0 3.2 0.5 
 
assign ( resid 7 and name HD1 ) ( resid 6 and name HB# ) 6.0 3.0 0 
assign ( resid 7 and name HD1 ) ( resid 6 and name HN ) 6.0 3.0 0 
assign ( resid 7 and name HD1 ) ( resid 8 and name HA# ) 6.0 3.0 0 
assign ( resid 7 and name HE1 ) ( resid 5 and name HB# ) 6.0 3.0 0 
assign ( resid 7 and name HE1 ) ( resid 5 and name HG# ) 6.0 3.0 0 
assign ( resid 7 and name HE3 ) ( resid 6 and name HB# ) 6.0 3.0 0 
assign ( resid 7 and name HE3 ) ( resid 6 and name HN ) 6.0 3.0 0 
 
assign ( resid 9 and name HD2 ) ( resid 6 and name HB# ) 6.0 3.0 0 
assign ( resid 9 and name HD2 ) ( resid 5 and name HG# ) 6.0 3.0 0 
 
!assign ( resid 10 and name HD2 ) ( resid 4 and name HG1# ) 6.0 3.0 0.5 
!assign ( resid 10 and name HD2 ) ( resid 4 and name HG2# ) 6.0 3.0 0.5 
assign ( resid 10 and name HD2 ) ( resid 4 and name HG** ) 6.0 3.0 0.5 
 
assign ( resid 9 and name HN ) ( resid 10 and name HN ) 5.0 3.2 0 
assign ( resid 10 and name HN ) ( resid 11 and name HN ) 3.5 1.7 0 
assign ( resid 12 and name HN ) ( resid 13 and name HN ) 5.0 3.2 0 
assign ( resid 13 and name HN ) ( resid 13 and name H1 ) 5.0 3.2 0 
 
assign ( resid 8 and name HN ) ( resid 6 and name HB# ) 6.0 3.0 0
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Friday, April 19, 2024 8:45:35 PM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	1037	1a1p	cing	1-original	1	XPLOR/CNS	distance	NOE	simple