=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 40 rings
        ring        int.           center             anis.    iso.
       TRP  4     1.040    23.629  33.581   0.942  -99.200  -91.000
      TRP6  4     1.020    24.304  31.744  -0.396  -99.200  -91.000
       HIS  5     0.900    16.616  39.929  -3.180  -99.200  -91.000
       TYR 16     0.840    12.840  23.289  -4.035  -99.200  -91.000
       PHE 17     1.000    12.500  27.852   0.139  -99.200  -91.000
       PHE 23     1.000     7.483  17.429   6.708  -99.200  -91.000
       TYR 35     0.840    15.511  20.043  18.724  -99.200  -91.000
       PHE 42     1.000    15.739  29.427   5.261  -99.200  -91.000
       PHE 45     1.000    21.441  29.719   3.125  -99.200  -91.000
       PHE 47     1.000    24.276  35.179  12.263  -99.200  -91.000
       PHE 50     1.000    26.668  33.741  -4.304  -99.200  -91.000
       TYR 63     0.840    25.651  19.166  16.388  -99.200  -91.000
       HIS 64     0.900    19.679  13.226  16.525  -99.200  -91.000
       HIS 70     0.900    24.266  28.066  16.519  -99.200  -91.000
       PHE 74     1.000    30.113  19.215  11.099  -99.200  -91.000
       TYR 90     0.840    36.153  23.176  19.158  -99.200  -91.000
       PHE 100     1.000    41.725  25.411  17.790  -99.200  -91.000
       HIS 105     0.900    33.270  28.797  22.539  -99.200  -91.000
       TYR 107     0.840    28.271  31.519  18.930  -99.200  -91.000
       TRP 111     1.040    35.538  28.727  13.087  -99.200  -91.000
      TRP6 111     1.020    35.445  26.380  12.781  -99.200  -91.000
       HIS 131     0.900    20.691  10.417   8.085  -99.200  -91.000
       HIS 133     0.900    12.014  17.325   9.345  -99.200  -91.000
       TRP 138     1.040    14.758  21.338   4.943  -99.200  -91.000
      TRP6 138     1.020    14.567  23.665   4.623  -99.200  -91.000
       PHE 141     1.000    17.523  26.797   0.220  -99.200  -91.000
       HIS 152     0.900    25.705  32.524 -11.050  -99.200  -91.000
       PHE 158     1.000    32.532  24.567  -2.776  -99.200  -91.000
       TRP 161     1.040    35.594  18.058   6.516  -99.200  -91.000
      TRP6 161     1.020    35.080  19.538   8.297  -99.200  -91.000
       HIS 164     0.900    24.343  13.802   2.241  -99.200  -91.000
       HIS 177     0.900    34.290  27.438  -7.077  -99.200  -91.000
       HIS 178     0.900    41.424  26.651  -5.272  -99.200  -91.000
       HIS 184     0.900    30.275  13.687   9.787  -99.200  -91.000
       HIS 191     0.900    39.341   8.648  16.698  -99.200  -91.000
       PHE 194     1.000    38.074  15.971  10.646  -99.200  -91.000
       HIS 199     0.900    40.186  18.677   4.636  -99.200  -91.000
       PHE 200     1.000    39.816  22.403  10.386  -99.200  -91.000
       TRP 217     1.040    41.024  27.745  10.571  -99.200  -91.000
      TRP6 217     1.020    39.001  27.212   9.432  -99.200  -91.000