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
16489 2a7y 7000 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple


!beta sheet H bonds.
!alpha helical H bonds.
!Beta sheets
assign (resid    8 and  name HN   )(resid   59 and  name O    ) 1.8 0.0 0.5 !!
assign (resid    8 and  name N    )(resid   59 and  name O    ) 2.8 0.0 0.5 !!
assign (resid   59 and  name HN   )(resid    8 and  name O    ) 1.8 0.0 0.5 !!
assign (resid   59 and  name N    )(resid    8 and  name O    ) 2.8 0.0 0.5 !!
assign (resid   10 and  name HN   )(resid   57 and  name O    ) 1.8 0.0 0.5 !!
assign (resid   10 and  name N    )(resid   57 and  name O    ) 2.8 0.0 0.5 !!
assign (resid   57 and  name HN   )(resid   10 and  name O    ) 1.8 0.0 0.5 !!
assign (resid   57 and  name N    )(resid   10 and  name O    ) 2.8 0.0 0.5 !!
assign (resid   11 and  name HN   )(resid   21 and  name O    ) 1.8 0.0 1.2 !BI
assign (resid   11 and  name N    )(resid   21 and  name O    ) 2.8 0.0 1.2 !BI
assign (resid   11 and  name HN   )(resid   20 and  name O    ) 1.8 0.0 1.2 !BI
assign (resid   11 and  name N    )(resid   20 and  name O    ) 2.8 0.0 1.2 !BI
assign (resid   20 and  name HN   )(resid   11 and  name O    ) 1.8 0.0 0.5 !BI
assign (resid   20 and  name N    )(resid   11 and  name O    ) 2.8 0.0 0.5 !BI
assign (resid   23 and  name HN   )(resid    9 and  name O    ) 1.8 0.0 0.5 !!
assign (resid   23 and  name N    )(resid    9 and  name O    ) 2.8 0.0 0.5 !!
assign (resid    9 and  name HN   )(resid   23 and  name O    ) 1.8 0.0 0.5 !!
assign (resid    9 and  name N    )(resid   23 and  name O    ) 2.8 0.0 0.5 !!
assign (resid   25 and  name HN   )(resid    7 and  name O    ) 1.8 0.0 0.5 !!
assign (resid   25 and  name N    )(resid    7 and  name O    ) 2.8 0.0 0.5 !!
assign (resid    7 and  name HN   )(resid   25 and  name O    ) 1.8 0.0 1.2 !Bi
assign (resid    7 and  name N    )(resid   25 and  name O    ) 2.8 0.0 1.2 !Bi
assign (resid    6 and  name HN   )(resid   25 and  name O    ) 1.8 0.0 1.2 !Bi
assign (resid    6 and  name N    )(resid   25 and  name O    ) 2.8 0.0 1.2 !Bi
assign (resid   37 and  name HN   )(resid   50 and  name O    ) 1.8 0.0 0.5 !
assign (resid   37 and  name N    )(resid   50 and  name O    ) 2.8 0.0 0.5 !
assign (resid   50 and  name HN   )(resid   37 and  name O    ) 1.8 0.0 0.5 !
assign (resid   50 and  name N    )(resid   37 and  name O    ) 2.8 0.0 0.5 !
assign (resid   38 and  name HN   )(resid   27 and  name O    ) 1.8 0.0 0.5 !!
assign (resid   38 and  name N    )(resid   27 and  name O    ) 2.8 0.0 0.5 !!
assign (resid   27 and  name HN   )(resid   38 and  name O    ) 1.8 0.0 1.2 !BI
assign (resid   27 and  name N    )(resid   38 and  name O    ) 2.8 0.0 1.2 !BI
assign (resid   26 and  name HN   )(resid   38 and  name O    ) 1.8 0.0 1.2 !BI
assign (resid   26 and  name N    )(resid   38 and  name O    ) 2.8 0.0 1.2 !BI
assign (resid   39 and  name HN   )(resid   48 and  name O    ) 1.8 0.0 0.5 !!
assign (resid   39 and  name N    )(resid   48 and  name O    ) 2.8 0.0 0.5 !!
assign (resid   48 and  name HN   )(resid   39 and  name O    ) 1.8 0.0 0.5 !!
assign (resid   48 and  name N    )(resid   39 and  name O    ) 2.8 0.0 0.5 !!
assign (resid   40 and  name HN   )(resid   24 and  name O    ) 1.8 0.0 0.5 !!
assign (resid   40 and  name N    )(resid   24 and  name O    ) 2.8 0.0 0.5 !!
assign (resid   24 and  name HN   )(resid   40 and  name O    ) 1.8 0.0 0.5 !!
assign (resid   24 and  name N    )(resid   40 and  name O    ) 2.8 0.0 0.5 !!
assign (resid   41 and  name HN   )(resid   46 and  name O    ) 1.8 0.0 0.5 !10
assign (resid   41 and  name N    )(resid   46 and  name O    ) 2.8 0.0 0.5 !10
!a-helix based on structure only.  D2o xchange...gone in 30 min.
assign (resid   68 and  name HN   )(resid   64 and  name O    ) 1.8 0.0 0.5
assign (resid   68 and  name N    )(resid   64 and  name O    ) 2.8 0.0 0.5
assign (resid   69 and  name HN   )(resid   65 and  name O    ) 1.8 0.0 0.5
assign (resid   69 and  name N    )(resid   65 and  name O    ) 2.8 0.0 0.5
assign (resid   70 and  name HN   )(resid   66 and  name O    ) 1.8 0.0 0.5
assign (resid   70 and  name N    )(resid   66 and  name O    ) 2.8 0.0 0.5
assign (resid   71 and  name HN   )(resid   67 and  name O    ) 1.8 0.0 0.5
assign (resid   71 and  name N    )(resid   67 and  name O    ) 2.8 0.0 0.5
assign (resid   72 and  name HN   )(resid   68 and  name O    ) 1.8 0.0 0.5
assign (resid   72 and  name N    )(resid   68 and  name O    ) 2.8 0.0 0.5
assign (resid   73 and  name HN   )(resid   69 and  name O    ) 1.8 0.0 0.5
assign (resid   73 and  name N    )(resid   69 and  name O    ) 2.8 0.0 0.5
assign (resid   74 and  name HN   )(resid   70 and  name O    ) 1.8 0.0 0.5
assign (resid   74 and  name N    )(resid   70 and  name O    ) 2.8 0.0 0.5
assign (resid   75 and  name HN   )(resid   71 and  name O    ) 1.8 0.0 0.5
assign (resid   75 and  name N    )(resid   71 and  name O    ) 2.8 0.0 0.5


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