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
512715 2rrc 11176 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple


! converted from a discover rstrnt file.
set message=off echo=off end
!distance
assign (resid 21   and  name O2   )(resid  1   and  name H22  ) 1.000 1.00 1.00
assign (resid 21   and  name N3   )(resid  1   and  name H1   ) 1.000 1.00 1.00
assign (resid 21   and  name H42  )(resid  1   and  name O6   ) 1.000 1.00 1.00
assign (resid 20   and  name O2   )(resid  2   and  name H22  ) 1.000 1.00 1.00
assign (resid 20   and  name N3   )(resid  2   and  name H1   ) 1.000 1.00 1.00
assign (resid 20   and  name H42  )(resid  2   and  name O6   ) 1.000 1.00 1.00
assign (resid  3   and  name N1   )(resid 19   and  name H3   ) 1.000 1.00 1.00
assign (resid  3   and  name H61  )(resid 19   and  name O4   ) 1.000 1.00 1.00
assign (resid  4   and  name O2   )(resid 18   and  name H22  ) 1.000 1.00 1.00
assign (resid  4   and  name N3   )(resid 18   and  name H1   ) 1.000 1.00 1.00
assign (resid  4   and  name H42  )(resid 18   and  name O6   ) 1.000 1.00 1.00
assign (resid  5   and  name O2   )(resid 17   and  name H22  ) 1.000 1.00 1.00
assign (resid  5   and  name N3   )(resid 17   and  name H1   ) 1.000 1.00 1.00
assign (resid  5   and  name H42  )(resid 17   and  name O6   ) 1.000 1.00 1.00
assign (resid  6   and  name O2   )(resid 15   and  name H22  ) 1.000 1.00 1.00
assign (resid  6   and  name N3   )(resid 15   and  name H1   ) 1.000 1.00 1.00
assign (resid  6   and  name H42  )(resid 15   and  name O6   ) 1.000 1.00 1.00
assign (resid  8   and  name O2   )(resid 13   and  name H22  ) 1.000 1.00 1.00
assign (resid  8   and  name N3   )(resid 13   and  name H1   ) 1.000 1.00 1.00
assign (resid  8   and  name H42  )(resid 13   and  name O6   ) 1.000 1.00 1.00
assign (resid  9   and  name O2   )(resid 12   and  name H1   ) 1.000 1.00 2.00
!protonation ADE hydrogrn bond
assign (resid 7 and name N6) (resid 14 and name N3) 2.9 0.3 0.3
assign (resid 7 and name H62) (resid 14 and name N3) 1.9 0.3 0.3
assign (resid 7 and name N1) (resid 14 and name O2) 3.0 0.3 0.3
assign (resid 7 and name H1) (resid 14 and name O2) 2.0 0.3 0.3
set message=on echo=on end


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