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
596353 2n4n 25673 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple


!! VMK-II-070-3strand peptide, last edit 7/26/14 VMKung

!! Between top strand & middle strand:

assign ( resid 20  and name O ) ( resid 12  and name HN ) 1.9 0.4 0.6
assign ( resid 20  and name O ) ( resid 12  and name N  ) 2.9 0.5 0.7

assign ( resid 12  and name O ) ( resid 22  and name HN ) 1.9 0.4 0.6
assign ( resid 12  and name O ) ( resid 22  and name N  ) 2.9 0.5 0.7

assign ( resid 22  and name O ) ( resid 10  and name HN ) 1.9 0.4 0.6
assign ( resid 22  and name O ) ( resid 10  and name N  ) 2.9 0.5 0.7

assign ( resid 10  and name O ) ( resid 23  and name H1 ) 1.9 0.4 0.6
assign ( resid 10  and name O ) ( resid 23  and name H2 ) 1.9 0.4 0.6
assign ( resid 10  and name O ) ( resid 23  and name NT  ) 2.9 0.5 0.7

!! Between middle strand & bottom strand:

assign ( resid 9  and name O ) ( resid 7  and name HAI ) 1.9 0.4 0.6
assign ( resid 9  and name O ) ( resid 7  and name NAC  ) 2.9 0.5 0.7

assign ( resid 5  and name O ) ( resid 9  and name HN ) 1.9 0.4 0.6
assign ( resid 5  and name O ) ( resid 9  and name N  ) 2.9 0.5 0.7

assign ( resid 11  and name O ) ( resid 5  and name HN ) 1.9 0.4 0.6
assign ( resid 11  and name O ) ( resid 5  and name N  ) 2.9 0.5 0.7

assign ( resid 3  and name O ) ( resid 11  and name HN ) 1.9 0.4 0.6
assign ( resid 3  and name O ) ( resid 11  and name N  ) 2.9 0.5 0.7

assign ( resid 13  and name O ) ( resid 3  and name HN ) 1.9 0.4 0.6
assign ( resid 13  and name O ) ( resid 3  and name N  ) 2.9 0.5 0.7

assign ( resid 1  and name O ) ( resid 13  and name HN ) 1.9 0.4 0.6
assign ( resid 1  and name O ) ( resid 13  and name N  ) 2.9 0.5 0.7


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