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
632338 6cus 30404 cing 1-original 1 XPLOR/CNS distance NOE simple 

# Restraints file 1: noe_combined.tbl
!IHP-12 hydrogens: 1-H37, 2-H38, 3-H39, 4-H40, 5-H41, 6-H42

!Lys23 HE*
assign (segid A and resid 23 and name HE#) (segid B and name H40) 4.0 2.2 1.5
    or (segid A and resid 23 and name HE#) (segid B and name H42)

assign (segid A and resid 23 and name HE#) (segid B and name H37) 5.0 3.2 2.0 
    or (segid A and resid 23 and name HE#) (segid B and name H39)
    or (segid A and resid 23 and name HE#) (segid B and name H41)

assign (segid A and resid 23 and name HE#) (segid B and name H38) 5.0 3.2 2.0 

!Lys23 HD*
assign (segid A and resid 23 and name HD#) (segid B and name H40) 4.0 2.2 1.5
    or (segid A and resid 23 and name HD#) (segid B and name H42)

!Lys13 HE*
assign (segid A and resid 13 and name HE#) (segid B and name H40) 5.0 3.2 2.0
    or (segid A and resid 13 and name HE#) (segid B and name H42)

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