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
627998 6cku 30422 cing 1-original 4 XPLOR/CNS dipolar coupling


# Restraints file 6: rdc.tbl
! resid 999 contains the four atoms which define the tensor
! the coordinates of resid 999 are appended to the pdb
! use our pdf file for the tensor
!
! the data are in the format:
! assign (atomselection) value error


assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 1    and name N   )
       ( resid 1    and name HN  )   -2.3  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 2    and name N   )
       ( resid 2    and name HN  )   10.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 3  and name N   )
       ( resid 3  and name HN  )    14.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 4  and name N   )
       ( resid 4  and name HN  )    -5.1  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 5  and name N   )
       ( resid 5  and name HN  )   -3.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 6  and name N   )
       ( resid 6  and name HN  )  7.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 7  and name N   )
       ( resid 7  and name HN  )  6.1  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 8  and name N   )
       ( resid 8  and name HN  )    -4.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 10  and name N   )
       ( resid 10  and name HN  )  12.2  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 11  and name N   )
       ( resid 11  and name HN  )   17.7  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 12  and name N   )
       ( resid 12  and name HN  )   -2.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 13  and name N   )
       ( resid 13  and name HN  )   3.1  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 14  and name N   )
       ( resid 14  and name HN  )   2.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 15  and name N   )
       ( resid 15  and name HN  )    13.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 16  and name N   )
       ( resid 16  and name HN  )    14.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 17  and name N   )
       ( resid 17  and name HN  )   -1.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 19  and name N   )
       ( resid 19  and name HN  )  -2.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 20  and name N   )
       ( resid 20  and name HN  )  18.2  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 22  and name N   )
       ( resid 22  and name HN  )  13.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 23  and name N   )
       ( resid 23  and name HN  )    -0.81  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 25  and name N   )
       ( resid 25  and name HN  )   -4.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 26    and name N   )
       ( resid 26    and name HN  )   5.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 27    and name N   )
       ( resid 27    and name HN  )   9.9  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 31  and name N   )
       ( resid 31  and name HN  )    -9.8  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 33  and name N   )
       ( resid 33  and name HN  )    -4.8  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 34  and name N   )
       ( resid 34  and name HN  )   9.6  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 35  and name N   )
       ( resid 35  and name HN  )  -5.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 36  and name N   )
       ( resid 36  and name HN  )  -9.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 37  and name N   )
       ( resid 37  and name HN  )    -9.8  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 38  and name N   )
       ( resid 38  and name HN  )  2.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 39  and name N   )
       ( resid 39  and name HN  )   -7.6  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 40  and name N   )
       ( resid 40  and name HN  )   -4.2  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 41  and name N   )
       ( resid 41  and name HN  )   0.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 42  and name N   )
       ( resid 42  and name HN  )   0.6  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 44  and name N   )
       ( resid 44  and name HN  )    -1.6  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 45  and name N   )
       ( resid 45  and name HN  )    -10.2  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 46  and name N   )
       ( resid 46  and name HN  )   -7.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 47  and name N   )
       ( resid 47  and name HN  )  -5.4  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 48  and name N   )
       ( resid 48  and name HN  )  -1.1  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 49  and name N   )
       ( resid 49  and name HN  )  -4.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 52  and name N   )
       ( resid 52  and name HN  )    -4.5  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 53  and name N   )
       ( resid 53  and name HN  )   0.2  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 54  and name N   )
       ( resid 54  and name HN  )   -4.0  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 55  and name N   )
       ( resid 55  and name HN  )   -9.2  0.5000 

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid 56  and name N   )
       ( resid 56  and name HN  )   3.2  0.5000 


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