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
22355 2jnz 15134 cing 1-original 4 XPLOR/CNS dipolar coupling


! residual dipolar couplings from partial alignment in Pf1 phages (10mg/ml)
! used alignment tensor components: Dab = -8.28, R = 0.21
! D(CA,HA) scaled to D(N,HN) by a sclaing factor = -2.0

! D(N,HN)

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  )   -5.61    0.20

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  )    0.57    0.20

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  )   -1.56    0.20

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  )    4.11    0.20

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  )    5.21    0.20

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  )    9.24    0.20

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  )   -0.15    0.20

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  )   -3.22    0.20

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  )    4.40    0.20

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  )   -0.99    0.20

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  )  -15.75    0.20

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  )    8.29    0.20

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 N   )
       ( resid  28  and name HN  )    6.04    0.20

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  )    8.80    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  30  and name N   )
       ( resid  30  and name HN  )    9.18    0.20

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  )    9.34    0.20

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  )    3.64    0.20

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  )    1.72    0.20

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  )   -5.98    0.20

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  )   -4.58    0.20

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  )    8.41    0.20

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 N   )
       ( resid  40  and name HN  )   -4.64    0.20

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  )   -7.97    0.20

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  )  -11.23    0.20

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  )    0.50    0.20

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  )    3.18    0.20

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  )    3.33    0.20

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  )    8.29    0.20

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  )    8.53    0.20

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  )    9.73    0.20

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 N   )
       ( resid  49  and name HN  )  -11.33    0.20

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  )    4.80    0.20

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  )   -0.63    0.20

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  52  and name HN  )    7.23    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  55  and name N   )
       ( resid  55  and name HN  )   10.48    0.20

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  57  and name HN  )    2.98    0.20

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  )    6.74    0.20

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  )    4.24    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  60  and name N   )
       ( resid  60  and name HN  )    5.61    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  63  and name N   )
       ( resid  63  and name HN  )    5.51    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  64  and name N   )
       ( resid  64  and name HN  )   10.60    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  65  and name N   )
       ( resid  65  and name HN  )    9.68    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  66  and name N   )
       ( resid  66  and name HN  )    6.22    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  67  and name N   )
       ( resid  67  and name HN  )    7.46    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  68  and name N   )
       ( resid  68  and name HN  )    1.62    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  73  and name N   )
       ( resid  73  and name HN  )    6.73    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  74  and name N   )
       ( resid  74  and name HN  )    3.99    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  76  and name N   )
       ( resid  76  and name HN  )   -5.29    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  77  and name N   )
       ( resid  77  and name HN  )    8.02    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  78  and name N   )
       ( resid  78  and name HN  )    4.74    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  80  and name N   )
       ( resid  80  and name HN  )   -4.50    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  81  and name N   )
       ( resid  81  and name HN  )  -10.11    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  82  and name N   )
       ( resid  82  and name HN  )  -12.38    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  83  and name N   )
       ( resid  83  and name HN  )   -3.17    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  84  and name N   )
       ( resid  84  and name HN  )    4.90    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  85  and name N   )
       ( resid  85  and name HN  )   -7.26    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  86  and name N   )
       ( resid  86  and name HN  )  -16.56    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  87  and name N   )
       ( resid  87  and name HN  )   -8.67    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  88  and name N   )
       ( resid  88  and name HN  )   -2.70    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  89  and name N   )
       ( resid  89  and name HN  )   -1.42    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  90  and name N   )
       ( resid  90  and name HN  )    4.56    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  91  and name N   )
       ( resid  91  and name HN  )    3.37    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  92  and name N   )
       ( resid  92  and name HN  )    6.65    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  93  and name N   )
       ( resid  93  and name HN  )   10.09    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  94  and name N   )
       ( resid  94  and name HN  )   -2.43    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  96  and name N   )
       ( resid  96  and name HN  )  -11.39    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  98  and name N   )
       ( resid  98  and name HN  )    7.68    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  99  and name N   )
       ( resid  99  and name HN  )    2.45    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid 100  and name N   )
       ( resid 100  and name HN  )    6.02    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid 101  and name N   )
       ( resid 101  and name HN  )    7.17    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid 102  and name N   )
       ( resid 102  and name HN  )    5.33    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid 103  and name N   )
       ( resid 103  and name HN  )    7.70    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid 104  and name N   )
       ( resid 104  and name HN  )    7.44    0.20


! D(CA,HA)  (after scaling to D(N,HN))

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  )   -5.51    0.20

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  )   -2.64    0.20

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  )   -5.36    0.20

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  )   -5.05    0.20

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  )    6.71    0.20

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  )    5.36    0.20

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  )    5.81    0.20

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  )    5.21    0.20

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  )    4.91    0.20

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  )  -14.71    0.20

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 CA  )
       ( resid  27  and name HA  )    0.15    0.20

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  )    2.56    0.20

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  )    6.57    0.20

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  )   10.11    0.20

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  )    7.70    0.20

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  )    0.23    0.20

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  )   -1.44    0.20

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  )   -0.07    0.20

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 CA  )
       ( resid  39  and name HA  )   10.87    0.20

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  )    8.60    0.20

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 CA  )
       ( resid  41  and name HA  )  -15.16    0.20

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 CA  )
       ( resid  42  and name HA  )  -13.21    0.20

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  )   -3.69    0.20

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  )   -3.32    0.20

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 CA  )
       ( resid  46  and name HA  )    8.22    0.20

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  )    8.15    0.20

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  )    0.91    0.20

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  )   -0.60    0.20

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 CA  )
       ( resid  54  and name HA  )    8.30    0.20

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 CA  )
       ( resid  56  and name HA  )    3.85    0.20

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 CA  )
       ( resid  57  and name HA  )    5.96    0.20

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  )    3.10    0.20

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 CA  )
       ( resid  59  and name HA  )    8.60    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  60  and name CA  )
       ( resid  60  and name HA  )    9.96    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  62  and name CA  )
       ( resid  62  and name HA  )    2.71    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  63  and name CA  )
       ( resid  63  and name HA  )    4.00    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  64  and name CA  )
       ( resid  64  and name HA  )    9.13    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  65  and name CA  )
       ( resid  65  and name HA  )   10.19    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  67  and name CA  )
       ( resid  67  and name HA  )    8.53    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  68  and name CA  )
       ( resid  68  and name HA  )    3.85    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  72  and name CA  )
       ( resid  72  and name HA  )   -0.23    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  73  and name CA  )
       ( resid  73  and name HA  )    3.25    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  75  and name CA  )
       ( resid  75  and name HA  )  -14.11    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  76  and name CA  )
       ( resid  76  and name HA  )    1.36    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  77  and name CA  )
       ( resid  77  and name HA  )    9.59    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  79  and name CA  )
       ( resid  79  and name HA  )    6.26    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  80  and name CA  )
       ( resid  80  and name HA  )   -2.64    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  81  and name CA  )
       ( resid  81  and name HA  )   -6.42    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  82  and name CA  )
       ( resid  82  and name HA  )   -7.32    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  83  and name CA  )
       ( resid  83  and name HA  )    6.49    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  84  and name CA  )
       ( resid  84  and name HA  )   -2.34    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  85  and name CA  )
       ( resid  85  and name HA  )    3.69    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  86  and name CA  )
       ( resid  86  and name HA  )  -14.04    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  88  and name CA  )
       ( resid  88  and name HA  )  -10.94    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  89  and name CA  )
       ( resid  89  and name HA  )   -3.54    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  90  and name CA  )
       ( resid  90  and name HA  )    0.23    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  91  and name CA  )
       ( resid  91  and name HA  )    7.39    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  92  and name CA  )
       ( resid  92  and name HA  )    5.28    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  93  and name CA  )
       ( resid  93  and name HA  )    7.54    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  95  and name CA  )
       ( resid  95  and name HA  )  -15.24    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  97  and name CA  )
       ( resid  97  and name HA  )    3.32    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  98  and name CA  )
       ( resid  98  and name HA  )    5.13    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid  99  and name CA  )
       ( resid  99  and name HA  )    5.28    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid 100  and name CA  )
       ( resid 100  and name HA  )    2.64    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid 102  and name CA  )
       ( resid 102  and name HA  )    1.21    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid 103  and name CA  )
       ( resid 103  and name HA  )    5.66    0.20

assign ( resid 500  and name OO  ) 
       ( resid 500  and name Z   ) 
       ( resid 500  and name X   ) 
       ( resid 500  and name Y   ) 
       ( resid 104  and name CA  )
       ( resid 104  and name HA  )    9.13    0.20




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