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
638644 6obi 30591 cing 1-original 1 XPLOR/CNS dipolar coupling


# Restraints file 1: pf1_nh_2.tbl
!!    6      A      N     6      A     HN     6.865     1.000 1.00
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  )    8.1352  0.2000
!!    7      A      N     7      A     HN    13.275     1.000 1.00
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  )   15.4146  0.2000
!!    9      A      N     9      A     HN     7.840     1.000 1.00
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  )    8.7984  0.2000
!!   10      A      N    10      A     HN    13.080     1.000 1.00
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  )   15.4052  0.2000
!!   11      A      N    11      A     HN    11.537     1.000 1.00
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  )   12.7219  0.2000
!!   12      A      N    12      A     HN     5.799     1.000 1.00
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  )    6.3948  0.2000
!!   13      A      N    13      A     HN    11.506     1.000 1.00
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  )   12.8364  0.2000
!!   14      A      N    14      A     HN    15.802     1.000 1.00
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  )   17.1244  0.2000
!!   15      A      N    15      A     HN     9.301     1.000 1.00
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  )    9.9207  0.2000
!!   16      A      N    16      A     HN     6.584     1.000 1.00
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  )    7.0593  0.2000
!!   17      A      N    17      A     HN    13.348     1.000 1.00
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  )   14.3644  0.2000
!!   18      A      N    18      A     HN    15.423     1.000 1.00
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  )   16.1729  0.2000
!!   20      A      N    20      A     HN    11.794     1.000 1.00
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  )   12.4150  0.2000
!!   22      A      N    22      A     HN    13.705     1.000 1.00
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  )   14.3087  0.2000
!!   23      A      N    23      A     HN     8.658     1.000 1.00
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  )    8.9680  0.2000
!!   25      A      N    25      A     HN    19.065     1.000 1.00
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  )   19.6507  0.2000
!!   26      A      N    26      A     HN    10.373     1.000 1.00
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  )   10.6087  0.2000
!!   27      A      N    27      A     HN    12.003     1.000 1.00
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  )   12.0863  0.2000
!!   28      A      N    28      A     HN    18.570     1.000 1.00
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  )   18.8829  0.2000
!!   29      A      N    29      A     HN    17.484     1.000 1.00
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  )   17.9441  0.2000
!!   33      A      N    33      A     HN    14.657     1.000 1.00
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  )   14.7519  0.2000
!!   34      A      N    34      A     HN    11.721     1.000 1.00
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  )   11.7210  0.2000
!!   35      A      N    35      A     HN    18.223     1.000 1.00
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  )   18.5507  0.2000
!!   36      A      N    36      A     HN    14.354     1.000 1.00
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  )   14.5455  0.2000
!!   37      A      N    37      A     HN    13.257     1.000 1.00
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  )   13.3450  0.2000
!!   39      A      N    39      A     HN    13.001     1.000 1.00
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  )   13.1865  0.2000
!!   40      A      N    40      A     HN    17.624     1.000 1.00
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  )   17.9514  0.2000
!!   41      A      N    41      A     HN     9.939     1.000 1.00
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  )   10.1205  0.2000
!!   42      A      N    42      A     HN    16.531     1.000 1.00
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  )   16.8214  0.2000
!!   43      A      N    43      A     HN    19.770     1.000 1.00
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  )   20.2830  0.2000
!!   44      A      N    44      A     HN    11.734     1.000 1.00
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  )   12.1451  0.2000
!!   45      A      N    45      A     HN    11.646     1.000 1.00
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  )   11.9848  0.2000
!!   46      A      N    46      A     HN    18.802     1.000 1.00
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  )   19.0577  0.2000
!!   47      A      N    47      A     HN    17.861     1.000 1.00
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  )   18.7067  0.2000
!!   48      A      N    48      A     HN    11.149     1.000 1.00
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  )   11.7042  0.2000
!!   49      A      N    49      A     HN    14.418     1.000 1.00
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  )   15.7784  0.2000
!!   50      A      N    50      A     HN    21.926     1.000 1.00
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  )   23.3187  0.2000
!!   51      A      N    51      A     HN    15.063     1.000 1.00
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  )   16.1343  0.2000
!!   52      A      N    52      A     HN     9.099     1.000 1.00
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  )    9.9359  0.2000
!!   53      A      N    53      A     HN    17.789     1.000 1.00
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  )   19.3711  0.2000
!!   54      A      N    54      A     HN    18.039     1.000 1.00
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  )   19.9024  0.2000
!!   55      A      N    55      A     HN     9.872     1.000 1.00
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  )   11.0931  0.2000
!!   56      A      N    56      A     HN    11.488     1.000 1.00
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  56 and name HN  )   13.2488  0.2000
!!   57      A      N    57      A     HN    17.624     1.000 1.00
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  )   21.1364  0.2000
!!   59      A      N    59      A     HN     6.276     1.000 1.00
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  )    7.9773  0.2000
!!   60      A      N    60      A     HN    11.631     1.000 1.00
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  )   15.2359  0.2000
!!   61      A      N    61      A     HN    14.587     1.000 1.00
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  61 and name N   )
       ( resid  61 and name HN  )   19.6819  0.2000
!!   62      A      N    62      A     HN     7.301     1.000 1.00
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 N   )
       ( resid  62 and name HN  )   10.7475  0.2000
!!   63      A      N    63      A     HN     4.816     1.000 1.00
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  )    7.8951  0.2000
!!   64      A      N    64      A     HN     8.334     1.000 1.00
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  )   15.3923  0.2000
!!   65      A      N    65      A     HN     2.366     1.000 1.00
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  )    5.1480  0.2000
# Restraints file 2: pf1.tbl
!!    5      A      C     6      A     HN    -1.115     0.323 3.10
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   6 and name HN  )   -4.0960  0.2000
!!    6      A      C     7      A     HN    -2.797     0.323 3.10
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   7 and name HN  )  -10.0682  0.2000
!!    8      A      C     9      A     HN    -0.473     0.323 3.10
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   9 and name HN  )   -1.6456  0.2000
!!    9      A      C    10      A     HN    -1.487     0.323 3.10
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  10 and name HN  )   -5.4292  0.2000
!!   10      A      C    11      A     HN    -3.646     0.323 3.10
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  11 and name HN  )  -12.4634  0.2000
!!   12      A      C    13      A     HN    -1.259     0.323 3.10
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  13 and name HN  )   -4.3542  0.2000
!!   13      A      C    14      A     HN    -2.501     0.323 3.10
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  14 and name HN  )   -8.4019  0.2000
!!   14      A      C    15      A     HN    -2.719     0.323 3.10
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  15 and name HN  )   -8.9905  0.2000
!!   15      A      C    16      A     HN     0.287     0.323 3.10
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  16 and name HN  )    0.9539  0.2000
!!   16      A      C    17      A     HN    -1.433     0.323 3.10
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  17 and name HN  )   -4.7806  0.2000
!!   17      A      C    18      A     HN    -4.071     0.323 3.10
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  18 and name HN  )  -13.2337  0.2000
!!   21      A      C    22      A     HN    -3.534     0.323 3.10
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  22 and name HN  )  -11.4380  0.2000
!!   22      A      C    23      A     HN    -0.137     0.323 3.10
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  23 and name HN  )   -0.4399  0.2000
!!   23      A      C    24      A     HN    -2.514     0.323 3.10
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  24 and name HN  )   -8.0966  0.2000
!!   24      A      C    25      A     HN    -4.241     0.323 3.10
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 C   )
       ( resid  25 and name HN  )  -13.5510  0.2000
!!   26      A      C    27      A     HN     0.135     0.323 3.10
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  27 and name HN  )    0.4214  0.2000
!!   27      A      C    28      A     HN    -3.761     0.323 3.10
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 C   )
       ( resid  28 and name HN  )  -11.8555  0.2000
!!   28      A      C    29      A     HN    -4.188     0.323 3.10
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 C   )
       ( resid  29 and name HN  )  -13.3245  0.2000
!!   31      A      C    32      A     HN    -3.942     0.323 3.10
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  32 and name HN  )  -12.4877  0.2000
!!   32      A      C    33      A     HN    -3.909     0.323 3.10
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  33 and name HN  )  -12.1964  0.2000
!!   34      A      C    35      A     HN    -1.821     0.323 3.10
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  35 and name HN  )   -5.7466  0.2000
!!   38      A      C    39      A     HN    -1.963     0.323 3.10
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  39 and name HN  )   -6.1721  0.2000
!!   41      A      C    42      A     HN    -2.932     0.323 3.10
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  42 and name HN  )   -9.2488  0.2000
!!   42      A      C    43      A     HN    -3.332     0.323 3.10
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 C   )
       ( resid  43 and name HN  )  -10.5972  0.2000
!!   44      A      C    45      A     HN     0.741     0.323 3.10
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  45 and name HN  )    2.3639  0.2000
!!   45      A      C    46      A     HN    -2.877     0.323 3.10
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  46 and name HN  )   -9.0400  0.2000
!!   47      A      C    48      A     HN     0.005     0.323 3.10
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  48 and name HN  )    0.0163  0.2000
!!   49      A      C    50      A     HN    -2.926     0.323 3.10
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  50 and name HN  )   -9.6468  0.2000
!!   51      A      C    52      A     HN     0.215     0.323 3.10
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  52 and name HN  )    0.7278  0.2000
!!   52      A      C    53      A     HN    -0.876     0.323 3.10
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  53 and name HN  )   -2.9571  0.2000
!!   53      A      C    54      A     HN    -3.418     0.323 3.10
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 C   )
       ( resid  54 and name HN  )  -11.6903  0.2000
!!   55      A      C    56      A     HN     0.853     0.323 3.10
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 C   )
       ( resid  56 and name HN  )    3.0496  0.2000
!!   56      A      C    57      A     HN    -2.548     0.323 3.10
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 C   )
       ( resid  57 and name HN  )   -9.4730  0.2000
!!   58      A      C    59      A     HN    -0.013     0.323 3.10
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  59 and name HN  )   -0.0512  0.2000
!!   59      A      C    60      A     HN    -0.175     0.323 3.10
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 C   )
       ( resid  60 and name HN  )   -0.7106  0.2000
!!   60      A      C    61      A     HN    -2.151     0.323 3.10
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 C   )
       ( resid  61 and name HN  )   -8.9971  0.2000
!!   61      A      C    62      A     HN    -1.639     0.323 3.10
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  61 and name C   )
       ( resid  62 and name HN  )   -7.4794  0.2000
!!   63      A      C    64      A     HN    -0.510     0.323 3.10
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 C   )
       ( resid  64 and name HN  )   -2.9200  0.2000
!!   64      A      C    65      A     HN    -0.136     0.323 3.10
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 C   )
       ( resid  65 and name HN  )   -0.9173  0.2000
!!    5      A      C     6      A      N     0.936     0.121 8.27
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   6 and name N   )    9.1730  0.2000
!!    6      A      C     7      A      N     0.927     0.121 8.27
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   7 and name N   )    8.9019  0.2000
!!    8      A      C     9      A      N     1.534     0.121 8.27
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   9 and name N   )   14.2371  0.2000
!!    9      A      C    10      A      N     1.380     0.121 8.27
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  10 and name N   )   13.4414  0.2000
!!   10      A      C    11      A      N     0.356     0.121 8.27
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  11 and name N   )    3.2465  0.2000
!!   12      A      C    13      A      N     1.286     0.121 8.27
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  13 and name N   )   11.8649  0.2000
!!   13      A      C    14      A      N     1.556     0.121 8.27
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  14 and name N   )   13.9450  0.2000
!!   14      A      C    15      A      N     0.555     0.121 8.27
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  15 and name N   )    4.8957  0.2000
!!   15      A      C    16      A      N     2.122     0.121 8.27
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  16 and name N   )   18.8159  0.2000
!!   16      A      C    17      A      N     1.111     0.121 8.27
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  17 and name N   )    9.8876  0.2000
!!   17      A      C    18      A      N     1.164     0.121 8.27
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  18 and name N   )   10.0943  0.2000
!!   21      A      C    22      A      N     0.789     0.121 8.27
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  22 and name N   )    6.8125  0.2000
!!   22      A      C    23      A      N     1.996     0.121 8.27
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  23 and name N   )   17.0980  0.2000
!!   23      A      C    24      A      N     1.087     0.121 8.27
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  24 and name N   )    9.3393  0.2000
!!   24      A      C    25      A      N     0.906     0.121 8.27
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 C   )
       ( resid  25 and name N   )    7.7228  0.2000
!!   26      A      C    27      A      N     2.213     0.121 8.27
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  27 and name N   )   18.4286  0.2000
!!   27      A      C    28      A      N     0.985     0.121 8.27
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 C   )
       ( resid  28 and name N   )    8.2832  0.2000
!!   28      A      C    29      A      N     0.998     0.121 8.27
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 C   )
       ( resid  29 and name N   )    8.4707  0.2000
!!   31      A      C    32      A      N     1.463     0.121 8.27
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  32 and name N   )   12.3638  0.2000
!!   32      A      C    33      A      N     0.865     0.121 8.27
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  33 and name N   )    7.1999  0.2000
!!   34      A      C    35      A      N     0.967     0.121 8.27
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  35 and name N   )    8.1409  0.2000
!!   38      A      C    39      A      N     0.637     0.121 8.27
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  39 and name N   )    5.3431  0.2000
!!   41      A      C    42      A      N     1.310     0.121 8.27
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  42 and name N   )   11.0240  0.2000
!!   42      A      C    43      A      N     1.437     0.121 8.27
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 C   )
       ( resid  43 and name N   )   12.1924  0.2000
!!   44      A      C    45      A      N     2.401     0.121 8.27
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  45 and name N   )   20.4339  0.2000
!!   45      A      C    46      A      N     1.220     0.121 8.27
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  46 and name N   )   10.2266  0.2000
!!   47      A      C    48      A      N     1.274     0.121 8.27
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  48 and name N   )   11.0607  0.2000
!!   49      A      C    50      A      N     1.335     0.121 8.27
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  50 and name N   )   11.7417  0.2000
!!   51      A      C    52      A      N     2.249     0.121 8.27
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  52 and name N   )   20.3100  0.2000
!!   52      A      C    53      A      N     1.244     0.121 8.27
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  53 and name N   )   11.2028  0.2000
!!   53      A      C    54      A      N     1.347     0.121 8.27
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 C   )
       ( resid  54 and name N   )   12.2904  0.2000
!!   55      A      C    56      A      N     2.307     0.121 8.27
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 C   )
       ( resid  56 and name N   )   22.0032  0.2000
!!   56      A      C    57      A      N     1.039     0.121 8.27
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 C   )
       ( resid  57 and name N   )   10.3050  0.2000
!!   58      A      C    59      A      N     1.508     0.121 8.27
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  59 and name N   )   15.8519  0.2000
!!   59      A      C    60      A      N     1.243     0.121 8.27
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 C   )
       ( resid  60 and name N   )   13.4657  0.2000
!!   60      A      C    61      A      N     1.060     0.121 8.27
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 C   )
       ( resid  61 and name N   )   11.8281  0.2000
!!   61      A      C    62      A      N     0.618     0.121 8.27
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  61 and name C   )
       ( resid  62 and name N   )    7.5235  0.2000
!!   63      A      C    64      A      N     0.666     0.121 8.27
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 C   )
       ( resid  64 and name N   )   10.1725  0.2000
!!   64      A      C    65      A      N     0.333     0.121 8.27
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 C   )
       ( resid  65 and name N   )    5.9920  0.2000
!!    6      A      N     6      A     HN   -19.276     1.000 1.00
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  )  -22.8426  0.2000
!!    7      A      N     7      A     HN   -25.238     1.000 1.00
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  )  -29.3058  0.2000
!!    9      A      N     9      A     HN   -22.106     1.000 1.00
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  )  -24.8085  0.2000
!!   10      A      N    10      A     HN   -24.851     1.000 1.00
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  )  -29.2687  0.2000
!!   11      A      N    11      A     HN   -25.638     1.000 1.00
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  )  -28.2710  0.2000
!!   12      A      N    12      A     HN   -21.914     1.000 1.00
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  )  -24.1655  0.2000
!!   13      A      N    13      A     HN   -23.706     1.000 1.00
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  )  -26.4470  0.2000
!!   14      A      N    14      A     HN   -28.518     1.000 1.00
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  )  -30.9046  0.2000
!!   15      A      N    15      A     HN   -26.001     1.000 1.00
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  )  -27.7334  0.2000
!!   16      A      N    16      A     HN   -22.241     1.000 1.00
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  )  -23.8467  0.2000
!!   17      A      N    17      A     HN   -27.009     1.000 1.00
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  )  -29.0657  0.2000
!!   18      A      N    18      A     HN   -30.450     1.000 1.00
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  )  -31.9306  0.2000
!!   20      A      N    20      A     HN   -28.013     1.000 1.00
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  )  -29.4879  0.2000
!!   22      A      N    22      A     HN   -30.521     1.000 1.00
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  )  -31.8655  0.2000
!!   23      A      N    23      A     HN   -27.315     1.000 1.00
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  )  -28.2931  0.2000
!!   24      A      N    24      A     HN   -28.518     1.000 1.00
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  )  -29.6277  0.2000
!!   25      A      N    25      A     HN   -33.702     1.000 1.00
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  )  -34.7374  0.2000
!!   26      A      N    26      A     HN   -29.394     1.000 1.00
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  )  -30.0620  0.2000
!!   27      A      N    27      A     HN   -28.650     1.000 1.00
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  )  -28.8489  0.2000
!!   28      A      N    28      A     HN   -31.874     1.000 1.00
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  )  -32.4111  0.2000
!!   29      A      N    29      A     HN   -32.029     1.000 1.00
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  )  -32.8719  0.2000
!!   32      A      N    32      A     HN   -32.630     1.000 1.00
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  )  -33.3443  0.2000
!!   33      A      N    33      A     HN   -32.387     1.000 1.00
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  )  -32.5967  0.2000
!!   34      A      N    34      A     HN   -30.809     1.000 1.00
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  )  -30.8090  0.2000
!!   35      A      N    35      A     HN   -31.313     1.000 1.00
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  )  -31.8762  0.2000
!!   37      A      N    37      A     HN   -29.940     1.000 1.00
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  )  -30.1388  0.2000
!!   40      A      N    40      A     HN   -32.035     1.000 1.00
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  )  -32.6302  0.2000
!!   42      A      N    42      A     HN   -30.632     1.000 1.00
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  )  -31.1700  0.2000
!!   43      A      N    43      A     HN   -34.617     1.000 1.00
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  )  -35.5153  0.2000
!!   44      A      N    44      A     HN   -29.949     1.000 1.00
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  )  -30.9984  0.2000
!!   45      A      N    45      A     HN   -28.435     1.000 1.00
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  )  -29.2622  0.2000
!!   46      A      N    46      A     HN   -33.729     1.000 1.00
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  )  -34.1878  0.2000
!!   47      A      N    47      A     HN   -34.097     1.000 1.00
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  )  -35.7114  0.2000
!!   48      A      N    48      A     HN   -28.456     1.000 1.00
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  )  -29.8731  0.2000
!!   49      A      N    49      A     HN   -30.381     1.000 1.00
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  )  -33.2476  0.2000
!!   50      A      N    50      A     HN   -33.453     1.000 1.00
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  )  -35.5779  0.2000
!!   51      A      N    51      A     HN   -29.661     1.000 1.00
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  )  -31.7705  0.2000
!!   52      A      N    52      A     HN   -25.477     1.000 1.00
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  )  -27.8204  0.2000
!!   53      A      N    53      A     HN   -29.857     1.000 1.00
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  )  -32.5123  0.2000
!!   54      A      N    54      A     HN   -31.841     1.000 1.00
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  )  -35.1300  0.2000
!!   56      A      N    56      A     HN   -25.095     1.000 1.00
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  56 and name HN  )  -28.9414  0.2000
!!   57      A      N    57      A     HN   -28.721     1.000 1.00
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  )  -34.4451  0.2000
!!   59      A      N    59      A     HN   -19.534     1.000 1.00
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  )  -24.8293  0.2000
!!   60      A      N    60      A     HN   -21.324     1.000 1.00
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  )  -27.9332  0.2000
!!   61      A      N    61      A     HN   -22.863     1.000 1.00
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid  61 and name N   )
       ( resid  61 and name HN  )  -30.8486  0.2000
!!   62      A      N    62      A     HN   -16.818     1.000 1.00
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 N   )
       ( resid  62 and name HN  )  -24.7571  0.2000
!!   64      A      N    64      A     HN   -12.574     1.000 1.00
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  )  -23.2232  0.2000
!!   65      A      N    65      A     HN    -4.441     1.000 1.00
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  )   -9.6628  0.2000


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