NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type subtype subsubtype
20719 2gd3 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple 


set message=off echo=off end
! Hbonds between Ni-O(i-4): based on temp coeff data
! C8 temp coeff value: 1.93 
assign (resid 8 and  name N    )
  (resid 4 and  name O    ) 2.8 0.4 0.5
! L9 temp coeff value: 1.64 
assign (resid 9 and  name N    )
  (resid 5 and  name O    ) 2.8 0.4 0.5

!the same between HN-O
assign (resid 8 and  name HN)
  (resid 4 and  name O    ) 1.8 0.3 0.5
assign (resid 9 and  name HN)
  (resid 5 and  name O    ) 1.8 0.3 0.5

set message=on echo=on end

Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Saturday, June 29, 2024 10:14:48 PM GMT (wattos1)