=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 47 rings
        ring        int.           center             anis.    iso.
       HIS  9     0.900    86.502 120.994  49.157  -99.200  -91.000
       TYR 20     0.840    80.451 135.572  59.659  -99.200  -91.000
       PHE 26     1.000    58.152 135.963  63.740  -99.200  -91.000
       HIS 28     0.900    57.980 127.844  57.508  -99.200  -91.000
       HIS 35     0.900    71.084 132.526  54.782  -99.200  -91.000
       TYR 37     0.840    74.897 136.309  51.071  -99.200  -91.000
       TYR 39     0.840    83.376 143.698  52.609  -99.200  -91.000
       PHE 44     1.000    74.744 131.017  50.999  -99.200  -91.000
       PHE 52     1.000    61.848 128.985  68.797  -99.200  -91.000
       HIS 55     0.900    69.575 135.895  69.812  -99.200  -91.000
       TYR 66     0.840    82.617 132.288  70.539  -99.200  -91.000
       TYR 71     0.840    69.833 122.175  69.068  -99.200  -91.000
       HIS 72     0.900    61.877 122.698  73.311  -99.200  -91.000
       TRP 87     1.040    78.462 125.772  64.785  -99.200  -91.000
      TRP6 87     1.020    77.705 124.377  63.029  -99.200  -91.000
       PHE 94     1.000    78.700 120.726  67.742  -99.200  -91.000
       TYR 110     0.840    66.403 144.808  69.545  -99.200  -91.000
       PHE 114     1.000    75.701 134.313  71.627  -99.200  -91.000
       PHE 122     1.000    85.476 135.016  81.523  -99.200  -91.000
       TYR 144     0.840    75.045 130.002  82.797  -99.200  -91.000
       TRP 155     1.040    66.403 143.551  76.977  -99.200  -91.000
      TRP6 155     1.020    65.797 141.343  77.581  -99.200  -91.000
       PHE 167     1.000    78.592 142.275  81.585  -99.200  -91.000
       PHE 197     1.000    66.735 155.628  79.492  -99.200  -91.000
       PHE 205     1.000    64.763 153.638  68.855  -99.200  -91.000
       HIS 216     0.900    78.145 159.363  71.807  -99.200  -91.000
       PHE 217     1.000    73.312 153.839  75.283  -99.200  -91.000
       TYR 220     0.840    60.673 154.181  71.898  -99.200  -91.000
       TYR 221     0.840    58.992 160.899  72.616  -99.200  -91.000
       TYR 225     0.840    68.832 161.034  76.950  -99.200  -91.000
       PHE 229     1.000    82.526 152.759  77.965  -99.200  -91.000
       TRP 240     1.040    73.861 165.315  71.852  -99.200  -91.000
      TRP6 240     1.020    73.925 165.181  69.491  -99.200  -91.000
       TRP 252     1.040    62.106 164.355  59.098  -99.200  -91.000
      TRP6 252     1.020    62.914 162.648  57.678  -99.200  -91.000
       TYR 257     0.840    63.215 145.730  64.672  -99.200  -91.000
       HIS 263     0.900    84.701 156.274  60.538  -99.200  -91.000
       TYR 270     0.840    77.771 156.887  59.673  -99.200  -91.000
       PHE 272     1.000    69.233 152.163  59.519  -99.200  -91.000
       HIS 274     0.900    60.224 156.674  61.701  -99.200  -91.000
       HIS 282     0.900    58.467 151.831  69.264  -99.200  -91.000
       PHE 284     1.000    55.922 153.224  61.141  -99.200  -91.000
       TRP 290     1.040    68.399 162.303  59.111  -99.200  -91.000
      TRP6 290     1.020    67.340 163.779  60.620  -99.200  -91.000
       TYR 331     0.840    74.648 152.853  52.127  -99.200  -91.000
       PHE 356     1.000    81.514 144.981  57.656  -99.200  -91.000
       HIS 357     0.900    85.975 136.369  60.326  -99.200  -91.000