NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype subsubtype

481451 1cqg cing 3-converted-DOCR XPLOR/CNS distance hydrogen bond ambi
 assi 
   (( segid "   A" and resid 26   and name  OD1 ))
   (( segid "   A" and resid 28   and name  HG  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 26   and name  OD1 ))
   (( segid "   A" and resid 28   and name  OG  ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 60   and name  OD2 ))
   (( segid "   A" and resid 31   and name  HE1 ))
      1.800     0.300     0.700
 or   
   (( segid "   A" and resid 60   and name  OD1 ))
   (( segid "   A" and resid 31   and name  HE1 ))

 assi 
   (( segid "   A" and resid 60   and name  OD2 ))
   (( segid "   A" and resid 31   and name  NE1 ))
      2.800     0.400     0.700
 or   
   (( segid "   A" and resid 60   and name  OD1 ))
   (( segid "   A" and resid 31   and name  NE1 ))

 assi 
   (( segid "   A" and resid 56   and name  OE2 ))
   (  segid "   A" and resid 39   and name  HZ# )
      2.800     0.400     0.700
 or   
   (( segid "   A" and resid 56   and name  OE1 ))
   (  segid "   A" and resid 39   and name  HZ# )

 assi 
   (( segid "   A" and resid 56   and name  OE2 ))
   (( segid "   A" and resid 39   and name  NZ  ))
      1.800     0.300     0.700
 or   
   (( segid "   A" and resid 56   and name  OE1 ))
   (( segid "   A" and resid 39   and name  NZ  ))

 assi 
   (( segid "   A" and resid 3    and name  O   ))
   (( segid "   A" and resid 56   and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 3    and name  O   ))
   (( segid "   A" and resid 56   and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 26   and name  O   ))
   (( segid "   A" and resid 57   and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 26   and name  O   ))
   (( segid "   A" and resid 57   and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 55   and name  O   ))
   (( segid "   A" and resid 26   and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 55   and name  O   ))
   (( segid "   A" and resid 26   and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 53   and name  O   ))
   (( segid "   A" and resid 24   and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 53   and name  O   ))
   (( segid "   A" and resid 24   and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 80   and name  O   ))
   (( segid "   A" and resid 23   and name  N   ))
      2.800     0.400     0.800

 assi 
   (( segid "   A" and resid 80   and name  O   ))
   (( segid "   A" and resid 23   and name  HN  ))
      1.800     0.300     0.800

 assi 
   (( segid "   A" and resid 23   and name  O   ))
   (( segid "   A" and resid 80   and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 23   and name  O   ))
   (( segid "   A" and resid 80   and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 25   and name  O   ))
   (( segid "   A" and resid 78   and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 25   and name  O   ))
   (( segid "   A" and resid 78   and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 78   and name  O   ))
   (( segid "   A" and resid 25   and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 78   and name  O   ))
   (( segid "   A" and resid 25   and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 81   and name  O   ))
   (( segid "   A" and resid 84   and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 81   and name  O   ))
   (( segid "   A" and resid 84   and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 84   and name  O   ))
   (( segid "   A" and resid 81   and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 84   and name  O   ))
   (( segid "   A" and resid 81   and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 87   and name  O   ))
   (( segid "   A" and resid 79   and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 87   and name  O   ))
   (( segid "   A" and resid 79   and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 79   and name  O   ))
   (( segid "   A" and resid 86   and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 79   and name  O   ))
   (( segid "   A" and resid 86   and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 10   and name  O   ))
   (( segid "   A" and resid 14   and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 10   and name  O   ))
   (( segid "   A" and resid 14   and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 96   and name  O   ))
   (( segid "   A" and resid 100  and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 96   and name  O   ))
   (( segid "   A" and resid 100  and name  HN  ))
      1.800     0.300     0.700

 assi 
   (( segid "   A" and resid 98   and name  O   ))
   (( segid "   A" and resid 102  and name  N   ))
      2.800     0.400     0.700

 assi 
   (( segid "   A" and resid 98   and name  O   ))
   (( segid "   A" and resid 102  and name  HN  ))
      1.800     0.300     0.700
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Sunday, May 5, 2024 3:26:21 AM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	program	type	subtype	subsubtype
	481451	1cqg	cing	3-converted-DOCR	XPLOR/CNS	distance	hydrogen bond	ambi