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
	473163	2i8f	7296	cing	1-original	1	XPLOR/CNS	distance	hydrogen bond	simple

!remark h47a_c551_hbres.tbl
!remark mainchain hydrogen bond distance restraints 
!remark manually  generated by QL based upon 4 helix domains of c551
! CNS version: 1.1 ARIA version:2.0 alpha   date: 21-JUL-05  user:  

SET ECHO OFF MESSAGE OFF END

!helix 1 
assign ( segid "c551" and resid 2 and name O ) ( segid "c551" and resid 6 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 3 and name O ) ( segid "c551" and resid 7 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 4 and name O ) ( segid "c551" and resid 8 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 5 and name O ) ( segid "c551" and resid 9 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 6 and name O ) ( segid "c551" and resid 10 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 12 and name O ) ( segid "c551" and resid 16 and name N ) 
2.85 0.25 0.25

!helix 2 
assign ( segid "c551" and resid 26 and name O ) ( segid "c551" and resid 30 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 27 and name O ) ( segid "c551" and resid 31 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 28 and name O ) ( segid "c551" and resid 32 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 29 and name O ) ( segid "c551" and resid 33 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 30 and name O ) ( segid "c551" and resid 34 and name N ) 
2.85 0.25 0.25


!helix 3
assign ( segid "c551" and resid 39 and name O ) ( segid "c551" and resid 43 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 40 and name O ) ( segid "c551" and resid 44 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 41 and name O ) ( segid "c551" and resid 45 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 42 and name O ) ( segid "c551" and resid 46 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 43 and name O ) ( segid "c551" and resid 47 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 44 and name O ) ( segid "c551" and resid 48 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 45 and name O ) ( segid "c551" and resid 49 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 46 and name O ) ( segid "c551" and resid 50 and name N ) 
2.85 0.25 0.25



!helix 4
assign ( segid "c551" and resid 67 and name O ) ( segid "c551" and resid 71 and name N )
2.85 0.25 0.25
 
assign ( segid "c551" and resid 68 and name O ) ( segid "c551" and resid 72 and name N )
2.85 0.25 0.25

assign ( segid "c551" and resid 69 and name O ) ( segid "c551" and resid 73 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 70 and name O ) ( segid "c551" and resid 74 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 71 and name O ) ( segid "c551" and resid 75 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 72 and name O ) ( segid "c551" and resid 76 and name N )
2.85 0.25 0.25

assign ( segid "c551" and resid 73 and name O ) ( segid "c551" and resid 77 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 74 and name O ) ( segid "c551" and resid 78 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 75 and name O ) ( segid "c551" and resid 79 and name N ) 
2.85 0.25 0.25

assign ( segid "c551" and resid 76 and name O ) ( segid "c551" and resid 80 and name N )
2.85 0.25 0.25

!propionate
!trp 57 to heme propionate

assign ( segid "c551" and resid 56 and name NE1) ( segid "heme" and resid 1 and name O1A) 
2.85  0.25  0.25

SET ECHO ON MESSAGE ON END

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