=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 45 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    26.380   7.981  39.669  -99.200  -91.000
       PHE 10     1.000    31.600  -3.520  37.082  -99.200  -91.000
       PHE 16     1.000    19.975  10.716  24.185  -99.200  -91.000
       PHE 41     1.000    22.408  10.926  29.407  -99.200  -91.000
       HIS 42     0.900    30.824   7.889  30.031  -99.200  -91.000
       HIS 43     0.900    22.720   2.027  29.034  -99.200  -91.000
       PHE 44     1.000    25.399   7.622  24.198  -99.200  -91.000
       TYR 50     0.840    15.333   1.766  18.403  -99.200  -91.000
       HIS 55     0.900    22.407   9.191  10.361  -99.200  -91.000
       PHE 75     1.000    26.253  -1.728  28.447  -99.200  -91.000
       TYR 76     0.840    25.414   0.888  19.801  -99.200  -91.000
       TRP 81     1.040    12.113  -5.892  13.065  -99.200  -91.000
      TRP6 81     1.020    10.883  -4.963  14.857  -99.200  -91.000
       HIS 86     0.900    16.391 -19.850  10.782  -99.200  -91.000
       PHE 103     1.000    30.659   1.663  17.999  -99.200  -91.000
       TYR 105     0.840    33.499  -3.674  22.194  -99.200  -91.000
       TYR 109     0.840    22.444  -8.278  18.527  -99.200  -91.000
       HIS 112     0.900    13.287  -3.774  19.367  -99.200  -91.000
       TYR 113     0.840     8.350  -5.656  20.207  -99.200  -91.000
       PHE 124     1.000     7.706  -2.593  11.459  -99.200  -91.000
       HIS 129     0.900    -6.988  -9.964   3.206  -99.200  -91.000
       PHE 134     1.000     1.436 -12.488  13.405  -99.200  -91.000
       TRP 143     1.040    19.767 -17.327  25.370  -99.200  -91.000
      TRP6 143     1.020    19.737 -14.971  25.584  -99.200  -91.000
       PHE 163     1.000    12.135 -12.718  25.176  -99.200  -91.000
       TYR 165     0.840     6.507 -16.615  35.448  -99.200  -91.000
       TYR 179     0.840    27.820 -17.342  27.673  -99.200  -91.000
       HIS 189     0.900     4.397   3.963  32.236  -99.200  -91.000
       TYR 191     0.840    -0.172   7.497  34.644  -99.200  -91.000
       PHE 200     1.000    10.893 -14.690  36.608  -99.200  -91.000
       TYR 211     0.840    10.055   0.058  26.162  -99.200  -91.000
       TYR 219     0.840     8.716   6.120  19.782  -99.200  -91.000
       TRP 222     1.040     4.943   1.504  16.326  -99.200  -91.000
      TRP6 222     1.020     5.447  -0.783  16.629  -99.200  -91.000
       TYR 243     0.840    11.336  14.830  47.069  -99.200  -91.000
       TYR 254     0.840     8.315   4.676  40.975  -99.200  -91.000
       PHE 279     1.000    23.078   9.212  38.006  -99.200  -91.000
       PHE 281     1.000    15.640  14.081  42.712  -99.200  -91.000
       TYR 300     0.840     2.026   6.082  28.196  -99.200  -91.000
       PHE 306     1.000     5.250  -7.198  16.224  -99.200  -91.000
       HIS 309     0.900     4.398 -13.835  16.848  -99.200  -91.000
       TRP 312     1.040     0.720  -8.726  21.718  -99.200  -91.000
      TRP6 312     1.020    -0.897  -8.192  23.360  -99.200  -91.000
       PHE 314     1.000     3.786  -6.098  25.591  -99.200  -91.000
       TYR 318     0.840     4.196 -12.052  37.044  -99.200  -91.000