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
	629169	6byv	30388	cing	1-original	4	XPLOR/CNS	distance	general distance	simple

!Calcium-binding NOE table.  CA+2 signifies uncharged.  resid 122/123/124 signifies the calcium ion. resid 66 you can change to the correct glutamic acid or aspartic acid. 2.4 is the bond length as calculated from 1D2L (homologous structure). 0.1 is the error (so bond can be between 2.3 and 2.5. You may want to tighten or loosen this later.  OE# means either OE1 or OE2 (the oxygen at the end of the glutamic acid).  OD# means OD1 or OD1, the same but for aspartic acid.  Change according to what you have
assign ( resid 122 and name CA+2 ) ( resid 20 and name O ) 2.4 0.1 0.1
assign ( resid 122 and name CA+2 ) ( resid 23 and name OD1 ) 2.4 0.1 0.1
assign ( resid 122 and name CA+2 ) ( resid 25 and name O ) 2.4 0.1 0.1 
assign ( resid 122 and name CA+2 ) ( resid 27 and name OD2 ) 2.4 0.1 0.1 
assign ( resid 122 and name CA+2 ) ( resid 33 and name OD2 ) 2.4 0.1 0.1  
assign ( resid 122 and name CA+2 ) ( resid 34 and name OE2 ) 2.4 0.1 0.1  
assign ( resid 123 and name CA+2 ) ( resid 63 and name O ) 2.4 0.1 0.1
assign ( resid 123 and name CA+2 ) ( resid 66 and name OD1 ) 2.4 0.1 0.1
assign ( resid 123 and name CA+2 ) ( resid 68 and name O ) 2.4 0.1 0.1  
assign ( resid 123 and name CA+2 ) ( resid 70 and name OD2 ) 2.4 0.1 0.1  
assign ( resid 123 and name CA+2 ) ( resid 76 and name OD2 ) 2.4 0.1 0.1  
assign ( resid 123 and name CA+2 ) ( resid 77 and name OE2 ) 2.4 0.1 0.1 
assign ( resid 124 and name CA+2 ) ( resid 102 and name O ) 2.4 0.1 0.1
assign ( resid 124 and name CA+2 ) ( resid 105 and name OD1 ) 2.4 0.1 0.1
assign ( resid 124 and name CA+2 ) ( resid 107 and name O ) 2.4 0.1 0.1 
assign ( resid 124 and name CA+2 ) ( resid 109 and name OD2 ) 2.4 0.1 0.1 
assign ( resid 124 and name CA+2 ) ( resid 115 and name OD2 ) 2.4 0.1 0.1  
assign ( resid 124 and name CA+2 ) ( resid 116 and name OE2 ) 2.4 0.1 0.1  

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