=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 43 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900    64.455  72.960 -19.190  -99.200  -91.000
       TYR  8     0.840    61.878  84.800 -10.552  -99.200  -91.000
       HIS 12     0.900    64.562  85.022  -4.957  -99.200  -91.000
       TRP 23     1.040    66.032  87.400   7.513  -99.200  -91.000
      TRP6 23     1.020    64.538  85.597   7.880  -99.200  -91.000
       TYR 29     0.840    53.577  89.394   6.951  -99.200  -91.000
       HIS 50     0.900    61.598  79.924  22.363  -99.200  -91.000
       PHE 53     1.000    59.941  80.943  18.033  -99.200  -91.000
       TYR 56     0.840    49.449  84.451  14.402  -99.200  -91.000
       HIS 58     0.900    44.585  84.502  13.432  -99.200  -91.000
       TYR 74     0.840    47.942  75.982  24.525  -99.200  -91.000
       HIS 83     0.900    42.541  81.765   1.266  -99.200  -91.000
       TYR 90     0.840    51.789  71.300   4.903  -99.200  -91.000
       HIS 99     0.900    54.526  69.529  30.737  -99.200  -91.000
       PHE 104     1.000    52.325  64.323  18.592  -99.200  -91.000
       TRP 105     1.040    50.788  59.740  21.089  -99.200  -91.000
      TRP6 105     1.020    51.077  58.945  18.880  -99.200  -91.000
       TRP 109     1.040    41.055  58.828  17.750  -99.200  -91.000
      TRP6 109     1.020    41.754  56.754  16.872  -99.200  -91.000
       TYR 133     0.840    56.310  62.046  19.063  -99.200  -91.000
       TRP 134     1.040    59.418  56.887  19.074  -99.200  -91.000
      TRP6 134     1.020    60.287  59.083  19.019  -99.200  -91.000
       TYR 142     0.840    52.545  57.283  24.665  -99.200  -91.000
       HIS 143     0.900    42.845  59.638  28.350  -99.200  -91.000
       TYR 145     0.840    44.068  59.065  22.228  -99.200  -91.000
       HIS 153     0.900    63.625  50.581   5.193  -99.200  -91.000
       TRP 155     1.040    63.856  54.379   4.093  -99.200  -91.000
      TRP6 155     1.020    63.709  53.334   1.978  -99.200  -91.000
       PHE 159     1.000    65.491  59.698   4.426  -99.200  -91.000
       PHE 164     1.000    55.213  54.617  15.884  -99.200  -91.000
       TYR 165     0.840    46.754  47.966  15.038  -99.200  -91.000
       PHE 180     1.000    57.280  59.095   6.087  -99.200  -91.000
       HIS 181     0.900    63.486  61.157  14.594  -99.200  -91.000
       PHE 182     1.000    66.626  65.281   7.295  -99.200  -91.000
       TRP 185     1.040    66.987  71.425   9.221  -99.200  -91.000
      TRP6 185     1.020    65.025  71.484   7.907  -99.200  -91.000
       PHE 200     1.000    61.885  63.291   6.222  -99.200  -91.000
       TYR 208     0.840    45.554  56.312   3.561  -99.200  -91.000
       HIS 218     0.900    57.636  66.552  16.311  -99.200  -91.000
       TYR 229     0.840    58.747  68.673   5.252  -99.200  -91.000
       HIS 254     0.900    48.487  81.433   2.589  -99.200  -91.000
       PHE 269     1.000    63.288  83.839   2.192  -99.200  -91.000
       PHE 271     1.000    68.157  73.302   3.567  -99.200  -91.000