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
28628 3msp 4242 cing 1-original 2 XPLOR/CNS distance NOE simple


! inter.tbl
! intermolecular noes from any spectra, n=nnoesy, c=cnoesy, ch=cnoesy (H20)

assign ( resid 12 and name HA  and segid mspa )
       ( resid 21 and name HB*  and segid mspb ) 5.0 5.0 0.0
assign ( resid 12 and name HA  and segid mspb )
       ( resid 21 and name HB* and segid mspa ) 5.0 5.0 0.0

assign ( resid 12 and name HA and segid mspa )
       ( resid 21 and name HN and segid mspb ) 7.0 7.0 0.0
assign ( resid 12 and name HA and segid mspb )
       ( resid 21 and name HN and segid mspa ) 7.0 7.0 0.0

assign ( resid 13 and name HA and segid mspa )
       ( resid 21 and name HN and segid mspb ) 5.0 5.0 0.0
assign ( resid 13 and name HA and segid mspb )
       ( resid 21 and name HN and segid mspa ) 5.0 5.0 0.0

assign ( resid 13 and name HA and segid mspa )
       ( resid 21 and name HB* and segid mspb ) 3.5 3.5 0.0
assign ( resid 13 and name HA and segid mspb )
       ( resid 21 and name HB* and segid mspa ) 3.5 3.5 0.0

assign ( resid 13 and name HB* and segid mspa )
       ( resid 21 and name HN and segid mspb ) 5.0 5.0 0.0
assign ( resid 13 and name HB* and segid mspb )
       ( resid 21 and name HN and segid mspa ) 5.0 5.0 0.0

assign ( resid 13 and name HG* and segid mspa )
       ( resid 21 and name HN and segid mspb ) 5.0 5.0 0.0
assign ( resid 13 and name HG* and segid mspb )
       ( resid 21 and name HN and segid mspa ) 5.0 5.0 0.0

assign ( resid 13 and name HD* and segid mspa )
       ( resid 21 and name HB* and segid mspb ) 5.0 5.0 0.0
assign ( resid 13 and name HD* and segid mspb )
       ( resid 21 and name HB* and segid mspa ) 5.0 5.0 0.0

assign ( resid 13 and name HA and segid mspa )
       ( resid 126 and name HA and segid mspb ) 7.0 7.0 0.0
assign ( resid 13 and name HA and segid mspb )
       ( resid 126 and name HA and segid mspa ) 7.0 7.0 0.0

assign ( resid 14 and name HN and segid mspa )
       ( resid 21 and name HB* and segid mspb ) 5.0 5.0 0.0
assign ( resid 14 and name HN and segid mspb )
       ( resid 21 and name HB* and segid mspa ) 5.0 5.0 0.0

assign ( resid 14 and name HN and segid mspa )
       ( resid 126 and name HB* and segid mspb ) 5.0 5.0 0.0
assign ( resid 14 and name HN and segid mspb )
       ( resid 126 and name HB* and segid mspa ) 5.0 5.0 0.0

assign ( resid 17 and name HA and segid mspa )
       ( resid 125 and name HD21 and segid mspb ) 5.0 5.0 0.0
assign ( resid 17 and name HA and segid mspb )
       ( resid 125 and name HD21 and segid mspa ) 5.0 5.0 0.0

assign ( resid 17 and name HG2* and segid mspa )
       ( resid 125 and name HD21 and segid mspb ) 5.0 5.0 0.0
assign ( resid 17 and name HG2* and segid mspb )
       ( resid 125 and name HD21 and segid mspa ) 5.0 5.0 0.0

assign ( resid 18 and name HN and segid mspa )
       ( resid 20 and name OD1 and segid mspb ) 2.0 2.0 0.3
assign ( resid 18 and name N and segid mspa )
       ( resid 20 and name OD1 and segid mspb ) 3.0 0.5 0.3
assign ( resid 18 and name HN and segid mspb )
       ( resid 20 and name OD1 and segid mspa ) 2.0 2.0 0.3
assign ( resid 18 and name N and segid mspb )
       ( resid 20 and name OD1 and segid mspa ) 3.0 0.5 0.3

assign ( resid 18 and name HB and segid mspa )
       ( resid 125 and name HD21 and segid mspb ) 5.0 5.0 0.0
assign ( resid 18 and name HB and segid mspb )
       ( resid 125 and name HD21 and segid mspa ) 5.0 5.0 0.0

assign ( resid 18 and name HG* and segid mspa )
       ( resid 125 and name HD21 and segid mspb ) 5.0 5.0 0.0
assign ( resid 18 and name HG* and segid mspb )
       ( resid 125 and name HD21 and segid mspa ) 5.0 5.0 0.0

assign ( resid 18 and name HG* and segid mspa )
       ( resid 125 and name HD22 and segid mspb ) 5.0 5.0 0.0
assign ( resid 18 and name HG* and segid mspb )
       ( resid 125 and name HD22 and segid mspa ) 5.0 5.0 0.0

assign ( resid 22 and name HG* and segid mspa )
       ( resid 32 and name HN and segid mspb ) 7.0 7.0 0.0
assign ( resid 22 and name HG* and segid mspb )
       ( resid 32 and name HN and segid mspa ) 7.0 7.0 0.0

assign ( resid 22 and name HG* and segid mspa )
       ( resid 69 and name HD* and segid mspb ) 6.3 6.3 0.0
assign ( resid 22 and name HG* and segid mspb )
       ( resid 69 and name HD* and segid mspa ) 6.3 6.3 0.0

assign ( resid 32 and name HN and segid mspa )
       ( resid 22 and name HD* and segid mspb ) 5.0 5.0 0.0
assign ( resid 32 and name HN and segid mspb )
       ( resid 22 and name HD* and segid mspa ) 5.0 5.0 0.0



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