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
24649 2k3w cing 1-original 2 XPLOR/CNS distance hydrogen bond simple


! hydrogen bond constraints
assign (resid   70 and name HD1*  ) (resid   66 and name HE   )   3.30   3.50   0.00
assign (resid   70 and name HD2*  ) (resid   66 and name HE   )   5.00   5.00   0.00
!assign (resid   20 and name OD1  ) (resid   66 and name HE   )   2.00   2.00   0.00
!assign (resid   20 and name OD1  ) (resid   66 and name NE   )   3.00   3.00   0.00
!assign (resid   20 and name OD2  ) (resid   66 and name HH21 )   2.00   2.00   0.00
!assign (resid   20 and name OD2  ) (resid   66 and name NH2  )   3.00   3.00   0.00
!assign (resid   59 and name HZ1  ) (resid  171 and name O    )   2.00   2.00   0.00
!assign (resid   59 and name NZ   ) (resid  171 and name O    )   3.00   3.00   0.00
assign (resid    4 and name O    ) (resid    8 and name HN   )   2.00   2.00   0.00
assign (resid    4 and name O    ) (resid    8 and name N    )   3.00   3.00   0.00
assign (resid    5 and name O    ) (resid    9 and name HN   )   2.00   2.00   0.00
assign (resid    5 and name O    ) (resid    9 and name N    )   3.00   3.00   0.00
assign (resid    6 and name O    ) (resid   10 and name HN   )   2.00   2.00   0.00
assign (resid    6 and name O    ) (resid   10 and name N    )   3.00   3.00   0.00
assign (resid    7 and name O    ) (resid   11 and name HN   )   2.00   2.00   0.00
assign (resid    7 and name O    ) (resid   11 and name N    )   3.00   3.00   0.00
assign (resid    8 and name O    ) (resid   12 and name HN   )   2.00   2.00   0.00
assign (resid    8 and name O    ) (resid   12 and name N    )   3.00   3.00   0.00
assign (resid    9 and name O    ) (resid   13 and name HN   )   2.00   2.00   0.00
assign (resid    9 and name O    ) (resid   13 and name N    )   3.00   3.00   0.00
assign (resid   10 and name O    ) (resid   14 and name HN   )   2.00   2.00   0.00
assign (resid   10 and name O    ) (resid   14 and name N    )   3.00   3.00   0.00
assign (resid   11 and name O    ) (resid   15 and name HN   )   2.00   2.00   0.00
assign (resid   11 and name O    ) (resid   15 and name N    )   3.00   3.00   0.00
assign (resid   12 and name O    ) (resid   16 and name HN   )   2.00   2.00   0.00
assign (resid   12 and name O    ) (resid   16 and name N    )   3.00   3.00   0.00
assign (resid   13 and name O    ) (resid   17 and name HN   )   2.00   2.00   0.00
assign (resid   13 and name O    ) (resid   17 and name N    )   3.00   3.00   0.00
assign (resid   14 and name O    ) (resid   18 and name HN   )   2.00   2.00   0.00
assign (resid   14 and name O    ) (resid   18 and name N    )   3.00   3.00   0.00
assign (resid   15 and name O    ) (resid   19 and name HN   )   2.00   2.00   0.00
assign (resid   15 and name O    ) (resid   19 and name N    )   3.00   3.00   0.00
assign (resid   16 and name O    ) (resid   20 and name HN   )   2.00   2.00   0.00
assign (resid   16 and name O    ) (resid   20 and name N    )   3.00   3.00   0.00
assign (resid   17 and name O    ) (resid   21 and name HN   )   2.00   2.00   0.00
assign (resid   17 and name O    ) (resid   21 and name N    )   3.00   3.00   0.00
assign (resid   18 and name O    ) (resid   22 and name HN   )   2.00   2.00   0.00
assign (resid   18 and name O    ) (resid   22 and name N    )   3.00   3.00   0.00
assign (resid   24 and name O    ) (resid   28 and name HN   )   2.00   2.00   0.00
assign (resid   24 and name O    ) (resid   28 and name N    )   3.00   3.00   0.00
assign (resid   25 and name O    ) (resid   29 and name HN   )   2.00   2.00   0.00
assign (resid   25 and name O    ) (resid   29 and name N    )   3.00   3.00   0.00
assign (resid   26 and name O    ) (resid   30 and name HN   )   2.00   2.00   0.00
assign (resid   26 and name O    ) (resid   30 and name N    )   3.00   3.00   0.00
assign (resid   27 and name O    ) (resid   31 and name HN   )   2.00   2.00   0.00
assign (resid   27 and name O    ) (resid   31 and name N    )   3.00   3.00   0.00
assign (resid   28 and name O    ) (resid   32 and name HN   )   2.00   2.00   0.00
assign (resid   28 and name O    ) (resid   32 and name N    )   3.00   3.00   0.00
assign (resid   29 and name O    ) (resid   33 and name HN   )   2.00   2.00   0.00
assign (resid   29 and name O    ) (resid   33 and name N    )   3.00   3.00   0.00
assign (resid   30 and name O    ) (resid   34 and name HN   )   2.00   2.00   0.00
assign (resid   30 and name O    ) (resid   34 and name N    )   3.00   3.00   0.00
assign (resid   31 and name O    ) (resid   35 and name HN   )   2.00   2.00   0.00
assign (resid   31 and name O    ) (resid   35 and name N    )   3.00   3.00   0.00
assign (resid   32 and name O    ) (resid   36 and name HN   )   2.00   2.00   0.00
assign (resid   32 and name O    ) (resid   36 and name N    )   3.00   3.00   0.00
assign (resid   33 and name O    ) (resid   37 and name HN   )   2.00   2.00   0.00
assign (resid   33 and name O    ) (resid   37 and name N    )   3.00   3.00   0.00
assign (resid   34 and name O    ) (resid   38 and name HN   )   2.00   2.00   0.00
assign (resid   34 and name O    ) (resid   38 and name N    )   3.00   3.00   0.00
assign (resid   35 and name O    ) (resid   39 and name HN   )   2.00   2.00   0.00
assign (resid   35 and name O    ) (resid   39 and name N    )   3.00   3.00   0.00
assign (resid   36 and name O    ) (resid   40 and name HN   )   2.00   2.00   0.00
assign (resid   36 and name O    ) (resid   40 and name N    )   3.00   3.00   0.00
assign (resid   37 and name O    ) (resid   41 and name HN   )   2.00   2.00   0.00
assign (resid   37 and name O    ) (resid   41 and name N    )   3.00   3.00   0.00
assign (resid   38 and name O    ) (resid   42 and name HN   )   2.00   2.00   0.00
assign (resid   38 and name O    ) (resid   42 and name N    )   3.00   3.00   0.00
assign (resid   39 and name O    ) (resid   43 and name HN   )   2.00   2.00   0.00
assign (resid   39 and name O    ) (resid   43 and name N    )   3.00   3.00   0.00
assign (resid   40 and name O    ) (resid   44 and name HN   )   2.00   2.00   0.00
assign (resid   40 and name O    ) (resid   44 and name N    )   3.00   3.00   0.00
assign (resid   41 and name O    ) (resid   45 and name HN   )   2.00   2.00   0.00
assign (resid   41 and name O    ) (resid   45 and name N    )   3.00   3.00   0.00
assign (resid   49 and name O    ) (resid   53 and name HN   )   2.00   2.00   0.00
assign (resid   49 and name O    ) (resid   53 and name N    )   3.00   3.00   0.00
assign (resid   50 and name O    ) (resid   54 and name HN   )   2.00   2.00   0.00
assign (resid   50 and name O    ) (resid   54 and name N    )   3.00   3.00   0.00
assign (resid   51 and name O    ) (resid   55 and name HN   )   2.00   2.00   0.00
assign (resid   51 and name O    ) (resid   55 and name N    )   3.00   3.00   0.00
assign (resid   52 and name O    ) (resid   56 and name HN   )   2.00   2.00   0.00
assign (resid   52 and name O    ) (resid   56 and name N    )   3.00   3.00   0.00
assign (resid   53 and name O    ) (resid   57 and name HN   )   2.00   2.00   0.00
assign (resid   53 and name O    ) (resid   57 and name N    )   3.00   3.00   0.00
assign (resid   54 and name O    ) (resid   58 and name HN   )   2.00   2.00   0.00
assign (resid   54 and name O    ) (resid   58 and name N    )   3.00   3.00   0.00
assign (resid   55 and name O    ) (resid   59 and name HN   )   2.00   2.00   0.00
assign (resid   55 and name O    ) (resid   59 and name N    )   3.00   3.00   0.00
assign (resid   56 and name O    ) (resid   60 and name HN   )   2.00   2.00   0.00
assign (resid   56 and name O    ) (resid   60 and name N    )   3.00   3.00   0.00
assign (resid   57 and name O    ) (resid   61 and name HN   )   2.00   2.00   0.00
assign (resid   57 and name O    ) (resid   61 and name N    )   3.00   3.00   0.00
assign (resid   58 and name O    ) (resid   62 and name HN   )   2.00   2.00   0.00
assign (resid   58 and name O    ) (resid   62 and name N    )   3.00   3.00   0.00
assign (resid   59 and name O    ) (resid   63 and name HN   )   2.00   2.00   0.00
assign (resid   59 and name O    ) (resid   63 and name N    )   3.00   3.00   0.00
assign (resid   60 and name O    ) (resid   64 and name HN   )   2.00   2.00   0.00
assign (resid   60 and name O    ) (resid   64 and name N    )   3.00   3.00   0.00
assign (resid   61 and name O    ) (resid   65 and name HN   )   2.00   2.00   0.00
assign (resid   61 and name O    ) (resid   65 and name N    )   3.00   3.00   0.00
assign (resid   62 and name O    ) (resid   66 and name HN   )   2.00   2.00   0.00
assign (resid   62 and name O    ) (resid   66 and name N    )   3.00   3.00   0.00
assign (resid   63 and name O    ) (resid   67 and name HN   )   2.00   2.00   0.00
assign (resid   63 and name O    ) (resid   67 and name N    )   3.00   3.00   0.00
assign (resid   64 and name O    ) (resid   68 and name HN   )   2.00   2.00   0.00
assign (resid   64 and name O    ) (resid   68 and name N    )   3.00   3.00   0.00
assign (resid   65 and name O    ) (resid   69 and name HN   )   2.00   2.00   0.00
assign (resid   65 and name O    ) (resid   69 and name N    )   3.00   3.00   0.00
assign (resid   66 and name O    ) (resid   70 and name HN   )   2.00   2.00   0.00
assign (resid   66 and name O    ) (resid   70 and name N    )   3.00   3.00   0.00
assign (resid   67 and name O    ) (resid   71 and name HN   )   2.00   2.00   0.00
assign (resid   67 and name O    ) (resid   71 and name N    )   3.00   3.00   0.00
assign (resid   68 and name O    ) (resid   72 and name HN   )   2.00   2.00   0.00
assign (resid   68 and name O    ) (resid   72 and name N    )   3.00   3.00   0.00
assign (resid   69 and name O    ) (resid   73 and name HN   )   2.00   2.00   0.00
assign (resid   69 and name O    ) (resid   73 and name N    )   3.00   3.00   0.00
assign (resid   70 and name O    ) (resid   74 and name HN   )   2.00   2.00   0.00
assign (resid   70 and name O    ) (resid   74 and name N    )   3.00   3.00   0.00
assign (resid   71 and name O    ) (resid   75 and name HN   )   2.00   2.00   0.00
assign (resid   71 and name O    ) (resid   75 and name N    )   3.00   3.00   0.00
assign (resid   72 and name O    ) (resid   76 and name HN   )   2.00   2.00   0.00
assign (resid   72 and name O    ) (resid   76 and name N    )   3.00   3.00   0.00


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