NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type
16925 2azv cing 1-original 3 XPLOR/CNS dipolar coupling


assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name N  )
       ( resid   2 and name HN  ) 17.56 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name N  )
       ( resid   3 and name HN  ) 14.69 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name N  )
       ( resid   4 and name HN  ) 11.98 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name N  )
       ( resid   5 and name HN  )  9.87 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name N  )
       ( resid   6 and name HN  ) -11.25 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name N  )
       ( resid   7 and name HN  ) -29.06 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name N  )
       ( resid   8 and name HN  ) -29.21 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name N  )
       ( resid   9 and name HN  )  5.79 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name N  )
       ( resid  10 and name HN  )  0.31 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name N  )
       ( resid  11 and name HN  )  8.32 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name N  )
       ( resid  12 and name HN  ) 11.81 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name N  )
       ( resid  13 and name HN  ) 17.03 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name N  )
       ( resid  14 and name HN  ) 14.18 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name N  )
       ( resid  15 and name HN  )  8.48 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name N  )
       ( resid  16 and name HN  ) 17.28 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name N  )
       ( resid  17 and name HN  ) 14.05 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name N  )
       ( resid  18 and name HN  )  4.30 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name N  )
       ( resid  19 and name HN  ) -2.42 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name N  )
       ( resid  20 and name HN  ) -1.95 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name N  )
       ( resid  21 and name HN  )  0.67 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name N  )
       ( resid  22 and name HN  )  7.17 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name N  )
       ( resid  23 and name HN  ) 11.61 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  24 and name N  )
       ( resid  24 and name HN  ) 10.37 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name N  )
       ( resid  25 and name HN  ) -1.47 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name N  )
       ( resid  26 and name HN  ) 20.37 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name N  )
       ( resid  27 and name HN  ) 18.74 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name N  )
       ( resid  29 and name HN  ) -14.88 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name N  )
       ( resid  31 and name HN  ) -5.27 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name N  )
       ( resid  32 and name HN  ) -3.63 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name N  )
       ( resid  33 and name HN  )  3.52 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name N  )
       ( resid  34 and name HN  )  4.88 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name N  )
       ( resid  35 and name HN  ) -3.15 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name N  )
       ( resid  36 and name HN  ) -14.76 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name N  )
       ( resid  37 and name HN  ) -18.40 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name N  )
       ( resid  39 and name HN  ) 19.05 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name N  )
       ( resid  41 and name HN  )  9.24 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  42 and name N  )
       ( resid  42 and name HN  ) 19.60 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  43 and name N  )
       ( resid  43 and name HN  ) 17.69 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name N  )
       ( resid  44 and name HN  ) -14.23 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name N  )
       ( resid  45 and name HN  )  6.49 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name N  )
       ( resid  46 and name HN  ) 20.44 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name N  )
       ( resid  47 and name HN  ) 19.92 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  48 and name N  )
       ( resid  48 and name HN  ) -2.59 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name N  )
       ( resid  50 and name HN  ) -4.41 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name N  )
       ( resid  51 and name HN  ) 13.27 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name N  )
       ( resid  53 and name HN  )  1.65 0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  54 and name N  )
       ( resid  54 and name HN  )        10.21   0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name N  )
       ( resid  58 and name HN  )        -0.90   0.39

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  59 and name N  )
       ( resid  59 and name HN  )  0.68 0.39

# N-CO DIPOLAR COUPLING RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name N  )
       ( resid   2 and name C  )  6.38 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name N  )
       ( resid   3 and name C  ) -19.26 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name N  )
       ( resid   4 and name C  ) 16.40 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name N  )
       ( resid   5 and name C  )  6.13 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name N  )
       ( resid   6 and name C  )  9.29 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name N  )
       ( resid   7 and name C  )  6.81 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name N  )
       ( resid   8 and name C  ) -13.99 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name N  )
       ( resid   9 and name C  ) 15.55 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name N  )
       ( resid  10 and name C  ) -22.61 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name N  )
       ( resid  11 and name C  )  1.90 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name N  )
       ( resid  12 and name C  ) -11.80 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name N  )
       ( resid  13 and name C  ) -14.12 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name N  )
       ( resid  14 and name C  ) 12.48 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name N  )
       ( resid  15 and name C  ) -28.89 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name N  )
       ( resid  16 and name C  ) 12.58 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name N  )
       ( resid  17 and name C  )  1.13 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name N  )
       ( resid  18 and name C  ) -18.12 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name N  )
       ( resid  19 and name C  )  4.57 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name N  )
       ( resid  20 and name C  ) -20.67 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name N  )
       ( resid  21 and name C  ) 11.57 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name N  )
       ( resid  22 and name C  )  4.56 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  24 and name N  )
       ( resid  23 and name C  ) -17.55 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name N  )
       ( resid  25 and name C  ) -21.32 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  27 and name N  )
       ( resid  26 and name C  ) 16.17 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name N  )
       ( resid  28 and name C  )  0.88 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name N  )
       ( resid  31 and name C  )  7.05 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name N  )
       ( resid  32 and name C  ) -10.18 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name N  )
       ( resid  33 and name C  )  4.18 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name N  )
       ( resid  34 and name C  ) 11.87 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name N  )
       ( resid  35 and name C  ) -20.75 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  37 and name N  )
       ( resid  36 and name C  )  8.38 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  39 and name N  )
       ( resid  38 and name C  ) 6.58 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name N  )
       ( resid  40 and name C  ) 12.94 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  42 and name N  )
       ( resid  41 and name C  ) 10.68 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name N  )
       ( resid  43 and name C  ) -9.22 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name N  )
       ( resid  44 and name C  ) -6.00 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name N  )
       ( resid  45 and name C  ) 7.01 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name N  )
       ( resid  46 and name C  )  7.67 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  48 and name N  )
       ( resid  47 and name C  ) 14.80 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name N  )
       ( resid  49 and name C  )  1.01 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name N  )
       ( resid  50 and name C  ) -5.82 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name N  )
       ( resid  51 and name C  )  7.58 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  53 and name N  )
       ( resid  52 and name C  ) -0.28 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  56 and name N  )
       ( resid  55 and name C  )  0.95 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  57 and name N  )
       ( resid  56 and name C  )  1.57 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name N  )
       ( resid  57 and name C  ) -4.44 0.13

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  59 and name N  )
       ( resid  58 and name C  )  2.97 0.13

# CO-CA DIPOLAR COUPLING RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name C  )
       ( resid   1 and name CA  ) -6.36 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name C  )
       ( resid   3 and name CA  ) -8.04 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name C  )
       ( resid   4 and name CA  )  2.52 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name C  )
       ( resid   5 and name CA  ) -18.83 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  6 and name C  )
       ( resid  6 and name CA  )         1.43   0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   7 and name C  )
       ( resid   7 and name CA  )  1.50 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   8 and name C  )
       ( resid   8 and name CA  ) -5.68 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name C  )
       ( resid   9 and name CA  ) 14.59 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name C  )
       ( resid  10 and name CA  ) -8.47 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name C  )
       ( resid  11 and name CA  ) 14.67 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name C  )
       ( resid  12 and name CA  ) -19.65 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name C  )
       ( resid  13 and name CA  )  2.12 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name C  )
       ( resid  14 and name CA  )  7.60 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name C  )
       ( resid  15 and name CA  ) 10.54 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name C  )
       ( resid  16 and name CA  )  1.57 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name C  )
       ( resid  17 and name CA  ) -29.20 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name C  )
       ( resid  18 and name CA  ) 12.98 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name C  )
       ( resid  19 and name CA  ) -26.50 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name C  )
       ( resid  20 and name CA  ) 22.06 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name C  )
       ( resid  21 and name CA  )  5.68 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name C  )
       ( resid  22 and name CA  ) -23.59 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name C  )
       ( resid  23 and name CA  ) -15.02 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name C  )
       ( resid  26 and name CA  )  1.54 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name C  )
       ( resid  29 and name CA  ) -15.26 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name C  )
       ( resid  31 and name CA  )  7.66 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name C  )
       ( resid  32 and name CA  ) -1.06 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name C  )
       ( resid  33 and name CA  ) -0.86 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name C  )
       ( resid  34 and name CA  ) -9.65 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name C  )
       ( resid  35 and name CA  ) 11.86 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name C  )
       ( resid  36 and name CA  ) -2.52 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name C  )
       ( resid  38 and name CA  )  8.18 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  41 and name C  )
       ( resid  41 and name CA  ) 17.13 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  43 and name C  )
       ( resid  43 and name CA  ) 12.61 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name C  )
       ( resid  44 and name CA  ) 14.00 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name C  )
       ( resid  45 and name CA  )  9.87 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  46 and name C  )
       ( resid  46 and name CA  ) 11.53 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name C  )
       ( resid  47 and name CA  ) -30.63 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  49 and name C  )
       ( resid  49 and name CA  ) 22.50 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name C  )
       ( resid  50 and name CA  ) -12.49 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name C  )
       ( resid  51 and name CA  ) -3.21 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name C  )
       ( resid  52 and name CA  )  7.04 0.53

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name C  )
       ( resid  58 and name CA  )  1.01 0.53

# CA-CB DIPOLAR COUPLING RESTAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name CA  )
       ( resid   1 and name CB  ) -6.66 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name CA  )
       ( resid   2 and name CB  )  3.88 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name CA  )
       ( resid   4 and name CB  ) -3.00 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name CA  )
       ( resid   5 and name CB  ) 20.33 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name CA  )
       ( resid   6 and name CB  ) 12.31 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name CA  )
       ( resid   9 and name CB  ) -11.52 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name CA  )
       ( resid  10 and name CB  ) -6.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name CA  )
       ( resid  11 and name CB  ) -12.66 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name CA  )
       ( resid  12 and name CB  )  1.87 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name CA  )
       ( resid  13 and name CB  )  2.53 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name CA  )
       ( resid  14 and name CB  ) -1.21 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name CA  )
       ( resid  15 and name CB  ) -8.26 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name CA  )
       ( resid  16 and name CB  ) -13.26 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name CA  )
       ( resid  17 and name CB  ) 10.83 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name CA  )
       ( resid  18 and name CB  )  9.74 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name CA  )
       ( resid  19 and name CB  )  5.90 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name CA  )
       ( resid  20 and name CB  )  2.59 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name CA  )
       ( resid  21 and name CB  ) -23.27 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name CA  )
       ( resid  23 and name CB  ) 13.47 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name CA  )
       ( resid  25 and name CB  )  6.96 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name CA  )
       ( resid  26 and name CB  ) -5.32 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  28 and name CA  )
       ( resid  28 and name CB  ) 14.58 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name CA  )
       ( resid  29 and name CB  ) -2.58 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name CA  )
       ( resid  31 and name CB  ) -5.56 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name CA  )
       ( resid  32 and name CB  )  4.34 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name CA  )
       ( resid  33 and name CB  ) 10.46 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name CA  )
       ( resid  35 and name CB  )  5.30 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name CA  )
       ( resid  36 and name CB  ) 12.29 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name CA  )
       ( resid  38 and name CB  ) -26.92 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name CA  )
       ( resid  40 and name CB  ) -11.35 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name CA  )
       ( resid  44 and name CB  ) -10.84 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name CA  )
       ( resid  45 and name CB  ) -25.70 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name CA  )
       ( resid  47 and name CB  )  9.87 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name CA  )
       ( resid  50 and name CB  ) -2.90 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name CA  )
       ( resid  51 and name CB  )  4.56 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name CA  )
       ( resid  52 and name CB  ) 20.00 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name CA  )
       ( resid  58 and name CB  ) -4.93 0.30

# CA-HA DIPOLAR COUPLING RESTRAINTS
assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   1 and name CA  )
       ( resid   1 and name HA  ) 11.31 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   2 and name CA  )
       ( resid   2 and name HA  ) 14.66 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   3 and name CA  )
       ( resid   3 and name HA  ) 14.53 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   4 and name CA  )
       ( resid   4 and name HA  ) 10.21 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   5 and name CA  )
       ( resid   5 and name HA  ) -1.04 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   6 and name CA  )
       ( resid   6 and name HA  )  5.56 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid   9 and name CA  )
       ( resid   9 and name HA  ) -2.69 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  10 and name CA  )
       ( resid  10 and name HA  ) -5.49 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  11 and name CA  )
       ( resid  11 and name HA  ) 13.26 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  12 and name CA  )
       ( resid  12 and name HA  )  1.97 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  13 and name CA  )
       ( resid  13 and name HA  ) 21.99 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  14 and name CA  )
       ( resid  14 and name HA  ) -7.41 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  15 and name CA  )
       ( resid  15 and name HA  ) -1.10 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  16 and name CA  )
       ( resid  16 and name HA  ) 12.68 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  17 and name CA  )
       ( resid  17 and name HA  ) 15.59 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  18 and name CA  )
       ( resid  18 and name HA  )  3.52 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  19 and name CA  )
       ( resid  19 and name HA  )  9.06 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  20 and name CA  )
       ( resid  20 and name HA  )  5.05 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  21 and name CA  )
       ( resid  21 and name HA  ) -2.75 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  22 and name CA  )
       ( resid  22 and name HA  )  7.60 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  23 and name CA  )
       ( resid  23 and name HA  )  8.88 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  25 and name CA  )
       ( resid  25 and name HA  ) 15.69 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  26 and name CA  )
       ( resid  26 and name HA  ) 18.72 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  28 and name CA  )
       ( resid  28 and name HA  ) 11.25 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  29 and name CA  )
       ( resid  29 and name HA  )  8.42 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  31 and name CA  )
       ( resid  31 and name HA  ) -5.59 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  32 and name CA  )
       ( resid  32 and name HA  ) -4.93 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  33 and name CA  )
       ( resid  33 and name HA  )  1.94 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  34 and name CA  )
       ( resid  34 and name HA  ) 10.45 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  35 and name CA  )
       ( resid  35 and name HA  ) -1.05 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  36 and name CA  )
       ( resid  36 and name HA  ) -23.87 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  38 and name CA  )
       ( resid  38 and name HA  )  8.95 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  40 and name CA  )
       ( resid  40 and name HA  ) 21.52 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  44 and name CA  )
       ( resid  44 and name HA  ) -14.82 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  45 and name CA  )
       ( resid  45 and name HA  )  6.64 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  47 and name CA  )
       ( resid  47 and name HA  ) 12.12 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  49 and name CA  )
       ( resid  49 and name HA  ) -12.76 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  50 and name CA  )
       ( resid  50 and name HA  )  6.14 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  51 and name CA  )
       ( resid  51 and name HA  ) 22.19 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  52 and name CA  )
       ( resid  52 and name HA  ) -28.10 0.30

assign ( resid 500 and name OO )
       ( resid 500 and name Z  )
       ( resid 500 and name X  )
       ( resid 500 and name Y  )
       ( resid  58 and name CA  )
       ( resid  58 and name HA  ) -4.18 0.30


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