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
456421 2kug 16764 cing 1-original 1 XPLOR/CNS distance NOE simple


!Protein-ligand NOE Restraints (A:calmodulin, B: halothnane)
!
assign (segid A    and resid   32 and   name HD2* )(segid B    and resid  149 and   name H4    )  6.0 1.5 2.0
assign (segid A    and resid   35 and   name HG1* )(segid B    and resid  149 and   name H4    )  6.0 1.5 2.0
assign (segid A    and resid   36 and   name HE*  )(segid B    and resid  149 and   name H4    )  6.0 1.5 2.0
assign (segid A    and resid   39 and   name HD2* )(segid B    and resid  149 and   name H4    )  5.5 1.0 2.0
assign (segid A    and resid   51 and   name HE*  )(segid B    and resid  149 and   name H4    )  5.0 1.0 1.5
assign (segid A    and resid   55 and   name HG1* )(segid B    and resid  149 and   name H4    )  5.5 1.0 2.0
assign (segid A    and resid   71 and   name HE*  )(segid B    and resid  149 and   name H4    )  4.0 0.5 1.0
assign (segid A    and resid   72 and   name HE*  )(segid B    and resid  149 and   name H4    )  5.0 1.0 1.5
assign (segid A    and resid   76 and   name HE*  )(segid B    and resid  149 and   name H4    )  7.0 2.0 2.5
!
!repulse
assign (segid A    and resid   12 and   name HE1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   12 and   name HD1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   12 and   name HE2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   12 and   name HD2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   16 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   16 and   name HD1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   16 and   name HD2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   16 and   name HE1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   16 and   name HE2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   16 and   name HZ   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   19 and   name HE1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   19 and   name HD1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   19 and   name HE2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   19 and   name HD2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   27 and   name HG2* )(segid B    and resid  149 and   name H4    )  6.0 0.1 20
assign (segid A    and resid   27 and   name HD1* )(segid B    and resid  149 and   name H4    )  6.0 0.1 20
assign (segid A    and resid   29 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   32 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   32 and   name HG   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   36 and   name HA   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   36 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   39 and   name HD1* )(segid B    and resid  149 and   name H4    )  6.0 0.1 20
assign (segid A    and resid   40 and   name HA*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   41 and   name HA   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   41 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   41 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   41 and   name HE2* )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   42 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   42 and   name HD2* )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   43 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   43 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   47 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   48 and   name HD1* )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   51 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   51 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   63 and   name HD1* )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   65 and   name HE1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   65 and   name HD1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   65 and   name HE2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   65 and   name HD2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   68 and   name HD1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   68 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   68 and   name HE1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   68 and   name HD2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   68 and   name HE2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   68 and   name HZ   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   71 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   71 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   72 and   name HA   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   72 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   72 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   74 and   name H    )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   74 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   74 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   74 and   name HD*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   74 and   name HH2* )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   74 and   name HH1* )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   75 and   name HA   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   75 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   75 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   75 and   name HE*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   75 and   name HZ*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   76 and   name H    )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   76 and   name HA   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   76 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
!




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