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
20971 2gtv 7093 cing 1-original 1 XPLOR/CNS distance general distance simple




####### NOE constraints for protein and ligand #######

 assign(resid 34   and name   NE  ) (resid 400 and name    O1 ) 0.0 0.0  4.86
 assign(resid 34   and name   NE  ) (resid 400 and name    O2 ) 0.0 0.0  4.92
 assign(resid 34   and name   CZ  ) (resid 400 and name    C10  ) 0.0 0.0  4.01
 assign(resid 34   and name   CZ  ) (resid 400 and name    O1 ) 0.0 0.0  3.55
 assign(resid 34   and name   CZ  ) (resid 400 and name    O2 ) 0.0 0.0  3.67
 assign(resid 34   and name   NH1 ) (resid 400 and name    O1 ) 0.0 0.0  2.79
 assign(resid 34   and name   NH1 ) (resid 400 and name    O2 ) 0.0 0.0  3.64
 assign(resid 34   and name   NH2 ) (resid 400 and name    C10  ) 0.0 0.0  3.55
 assign(resid 34   and name   NH2 ) (resid 400 and name    O1 ) 0.0 0.0  3.43
 assign(resid 34   and name   NH2 ) (resid 400 and name    O2 ) 0.0 0.0  2.89
 assign(resid 45   and name   CE  ) (resid 400 and name    O7 ) 0.0 0.0  4.19
 assign(resid 45   and name   CE  ) (resid 400 and name    C8 ) 0.0 0.0  4.63
 assign(resid 45   and name   CE  ) (resid 400 and name    C11  ) 0.0 0.0  4.33
 assign(resid 45   and name   CE  ) (resid 400 and name    O4 ) 0.0 0.0  3.36
 assign(resid 45   and name   NZ  ) (resid 400 and name    C3 ) 0.0 0.0  4.89
 assign(resid 45   and name   NZ  ) (resid 400 and name    C4 ) 0.0 0.0  3.84
 assign(resid 45   and name   NZ  ) (resid 400 and name    O5 ) 0.0 0.0  4.74
 assign(resid 45   and name   NZ  ) (resid 400 and name    C5 ) 0.0 0.0  3.78
 assign(resid 45   and name   NZ  ) (resid 400 and name    O7 ) 0.0 0.0  3.09
 assign(resid 45   and name   NZ  ) (resid 400 and name    C8 ) 0.0 0.0  3.87
 assign(resid 45   and name   NZ  ) (resid 400 and name    C11  ) 0.0 0.0  3.79
 assign(resid 45   and name   NZ  ) (resid 400 and name    O3 ) 0.0 0.0  4.96
 assign(resid 45   and name   NZ  ) (resid 400 and name    O4 ) 0.0 0.0  2.86
 assign(resid 57   and name   NE  ) (resid 400 and name    O3 ) 0.0 0.0  3.90
 assign(resid 57   and name   NE  ) (resid 400 and name    O3 ) 0.0 0.0  3.90
 assign(resid 57   and name   HE  ) (resid 400 and name    O3 ) 0.0 0.0  3.20
 assign(resid 58   and name   CG  ) (resid 400 and name    C1 ) 0.0 0.0  4.96
 assign(resid 58   and name   CG  ) (resid 400 and name    C2 ) 0.0 0.0  3.90
 assign(resid 58   and name   CG  ) (resid 400 and name    C3 ) 0.0 0.0  3.67
 assign(resid 58   and name   CG  ) (resid 400 and name    C4 ) 0.0 0.0  4.34
 assign(resid 58   and name   CG  ) (resid 400 and name    O5 ) 0.0 0.0  3.66
 assign(resid 58   and name   CD  ) (resid 400 and name    C2 ) 0.0 0.0  4.67
 assign(resid 58   and name   CD  ) (resid 400 and name    C3 ) 0.0 0.0  4.32
 assign(resid 58   and name   CD  ) (resid 400 and name    O5 ) 0.0 0.0  3.43
 assign(resid 58   and name   OE1 ) (resid 400 and name    O5 ) 0.0 0.0  4.58
 assign(resid 58   and name   OE2 ) (resid 400 and name    C1 ) 0.0 0.0  4.94
 assign(resid 58   and name   OE2 ) (resid 400 and name    C2 ) 0.0 0.0  4.38
 assign(resid 58   and name   OE2 ) (resid 400 and name    C3 ) 0.0 0.0  3.90
 assign(resid 58   and name   OE2 ) (resid 400 and name    C4 ) 0.0 0.0  3.69
 assign(resid 58   and name   OE2 ) (resid 400 and name    O5 ) 0.0 0.0  2.46
 assign(resid 58   and name   OE2 ) (resid 400 and name    C5 ) 0.0 0.0  4.35
 assign(resid 58   and name   OE2 ) (resid 400 and name    C6 ) 0.0 0.0  4.20
 assign(resid 90   and name   CB  ) (resid 400 and name    C10  ) 0.0 0.0  4.33
 assign(resid 90   and name   CB  ) (resid 400 and name    O1 ) 0.0 0.0  3.20
 assign(resid 90   and name   OD1 ) (resid 400 and name    C1 ) 0.0 0.0  4.20
 assign(resid 90   and name   OD1 ) (resid 400 and name    C5 ) 0.0 0.0  4.83
 assign(resid 90   and name   OD1 ) (resid 400 and name    C6 ) 0.0 0.0  3.84
 assign(resid 90   and name   OD1 ) (resid 400 and name    O7 ) 0.0 0.0  4.75
 assign(resid 90   and name   OD1 ) (resid 400 and name    C8 ) 0.0 0.0  4.72
 assign(resid 94   and name   CG  ) (resid 400 and name    O7 ) 0.0 0.0  4.99
 assign(resid 94   and name   CD  ) (resid 400 and name    C5 ) 0.0 0.0  4.33
 assign(resid 94   and name   CD  ) (resid 400 and name    C6 ) 0.0 0.0  4.96
 assign(resid 94   and name   CD  ) (resid 400 and name    O7 ) 0.0 0.0  3.51
 assign(resid 94   and name   CD  ) (resid 400 and name    C8 ) 0.0 0.0  4.16
 assign(resid 94   and name   CD  ) (resid 400 and name    C9 ) 0.0 0.0  4.97
 assign(resid 94   and name   OE1 ) (resid 400 and name    C5 ) 0.0 0.0  4.38
 assign(resid 94   and name   OE1 ) (resid 400 and name    O7 ) 0.0 0.0  3.36
 assign(resid 94   and name   OE1 ) (resid 400 and name    C8 ) 0.0 0.0  3.94
 assign(resid 94   and name   OE1 ) (resid 400 and name    C11  ) 0.0 0.0  4.86
 assign(resid 94   and name   OE1 ) (resid 400 and name    O4 ) 0.0 0.0  4.76
 assign(resid 94   and name   NE2 ) (resid 400 and name    C1 ) 0.0 0.0  4.68
 assign(resid 94   and name   NE2 ) (resid 400 and name    C4 ) 0.0 0.0  4.86
 assign(resid 94   and name   NE2 ) (resid 400 and name    C5 ) 0.0 0.0  3.41
 assign(resid 94   and name   NE2 ) (resid 400 and name    C6 ) 0.0 0.0  3.78
 assign(resid 94   and name   NE2 ) (resid 400 and name    O7 ) 0.0 0.0  2.85
 assign(resid 94   and name   NE2 ) (resid 400 and name    C8 ) 0.0 0.0  3.58
 assign(resid 94   and name   NE2 ) (resid 400 and name    C9 ) 0.0 0.0  4.11
 assign(resid 94   and name   NE2 ) (resid 400 and name    C11  ) 0.0 0.0  4.97
 assign(resid  9   and name   NE  ) (resid 400 and name    O3 ) 0.0 0.0  2.80
 assign(resid  9   and name   HE  ) (resid 400 and name    O3 ) 0.0 0.0  1.80
 assign(resid  9   and name   NH1 ) (resid 400 and name    O4 ) 0.0 0.0  2.80
 assign(resid  9   and name   HH11 ) (resid 400 and name    O4 ) 0.0 0.0  1.80
assign(resid   400 and name HO5) (resid   58 and name OE2) 0.0 0.0   3.0   ! 
assign(resid   400 and name O5) (resid   54 and name HN) 0.0 0.0   3.0   ! 
assign(resid   400 and name O7) (resid   45 and name HZ#) 0.0 0.0   3.2   !  
assign(resid   400 and name O4) (resid   45 and name HZ#) 0.0 0.0   3.2   !  
assign(resid   400 and name O1) (resid   34 and name HH1#) 0.0 0.0   3.5   ! 
assign(resid   400 and name O2) (resid   34 and name HH2#) 0.0 0.0   3.5   ! 


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