=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 48 rings
        ring        int.           center             anis.    iso.
       TYR 12     0.840    32.511  67.557   4.777  -99.200  -91.000
       PHE 31     1.000    43.499  90.245  11.189  -99.200  -91.000
       TYR 35     0.840    38.922  87.905   7.951  -99.200  -91.000
       HIS 36     0.900    41.131  86.031   3.560  -99.200  -91.000
       HIS 41     0.900    40.990  75.155   6.775  -99.200  -91.000
       PHE 45     1.000    40.608  73.598  17.525  -99.200  -91.000
       PHE 63     1.000    40.301  88.144  13.954  -99.200  -91.000
       HIS 67     0.900    27.700  90.750  23.582  -99.200  -91.000
       HIS 69     0.900    27.187  86.039  28.530  -99.200  -91.000
       TYR 72     0.840    28.414  82.363  30.542  -99.200  -91.000
       HIS 74     0.900    34.280  91.858  34.730  -99.200  -91.000
       HIS 87     0.900    34.198  76.670  40.834  -99.200  -91.000
       TRP 97     1.040    25.436  69.668  19.980  -99.200  -91.000
      TRP6 97     1.020    27.548  69.749  18.916  -99.200  -91.000
       HIS 98     0.900    26.652  76.761  23.293  -99.200  -91.000
       PHE 103     1.000    21.778  86.316  24.380  -99.200  -91.000
       TRP 127     1.040    34.086  75.351  17.727  -99.200  -91.000
      TRP6 127     1.020    35.681  74.678  19.347  -99.200  -91.000
       TYR 134     0.840    21.530  75.257   2.434  -99.200  -91.000
       PHE 141     1.000    13.804  68.701   5.493  -99.200  -91.000
       HIS 152     0.900    18.163  82.333  17.251  -99.200  -91.000
       PHE 154     1.000    19.961  85.911  28.961  -99.200  -91.000
       PHE 158     1.000    22.679  82.295  29.577  -99.200  -91.000
       TYR 161     0.840    15.509  75.978  36.245  -99.200  -91.000
       TYR 163     0.840    21.791  82.437  35.612  -99.200  -91.000
       HIS 170     0.900    15.446  86.658  40.825  -99.200  -91.000
       TRP 173     1.040    17.214  85.498  34.274  -99.200  -91.000
      TRP6 173     1.020    14.934  86.039  34.626  -99.200  -91.000
       HIS 185     0.900    19.049  86.661  14.752  -99.200  -91.000
       HIS 191     0.900    30.738  84.133   6.135  -99.200  -91.000
       PHE 200     1.000    22.548  82.455  12.832  -99.200  -91.000
       PHE 205     1.000    21.514  81.452  23.407  -99.200  -91.000
       PHE 223     1.000    16.343  66.629   9.556  -99.200  -91.000
       PHE 225     1.000    16.965  72.435  18.173  -99.200  -91.000
       HIS 227     0.900    21.207  67.364   8.935  -99.200  -91.000
       PHE 233     1.000    26.593  67.292   8.556  -99.200  -91.000
       TRP 237     1.040    41.881  71.435  20.850  -99.200  -91.000
      TRP6 237     1.020    43.439  71.413  19.072  -99.200  -91.000
       TRP 239     1.040    39.480  72.672  25.115  -99.200  -91.000
      TRP6 239     1.020    40.051  74.590  23.855  -99.200  -91.000
       TRP 247     1.040    33.556  79.877  17.571  -99.200  -91.000
      TRP6 247     1.020    34.384  79.788  19.788  -99.200  -91.000
       HIS 254     0.900    30.617  77.391  20.378  -99.200  -91.000
       TYR 255     0.840    27.743  68.889  24.031  -99.200  -91.000
       TYR 260     0.840    34.956  70.275  33.135  -99.200  -91.000
       HIS 268     0.900    40.867  84.109  31.447  -99.200  -91.000
       PHE 278     1.000    22.871  88.766   4.193  -99.200  -91.000
       TYR 279     0.840    17.987  82.440   1.835  -99.200  -91.000