=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 41 rings
        ring        int.           center             anis.    iso.
       HIS  5     0.900    -4.475 -39.732 -15.084  -99.200  -91.000
       PHE 12     1.000   -14.449 -40.560 -28.864  -99.200  -91.000
       TYR 18     0.840    -1.775 -24.187 -20.115  -99.200  -91.000
       PHE 52     1.000    27.686 -19.513 -33.805  -99.200  -91.000
       HIS 54     0.900    27.144 -28.405 -39.356  -99.200  -91.000
       HIS 57     0.900    32.301 -16.090 -35.664  -99.200  -91.000
       TYR 59     0.840    23.933 -19.813 -42.700  -99.200  -91.000
       HIS 60     0.900    25.796 -19.835 -37.082  -99.200  -91.000
       PHE 94     1.000    31.885 -35.576 -47.463  -99.200  -91.000
       TYR 108     0.840    42.122 -45.259 -49.591  -99.200  -91.000
       PHE 115     1.000    42.945 -35.252 -50.488  -99.200  -91.000
       PHE 124     1.000    35.295 -39.275 -45.109  -99.200  -91.000
       TYR 125     0.840    40.423 -32.016 -42.351  -99.200  -91.000
       TYR 128     0.840    42.425 -36.090 -32.081  -99.200  -91.000
       TYR 140     0.840    33.732 -51.900 -35.781  -99.200  -91.000
       TYR 142     0.840    31.090 -46.255 -33.567  -99.200  -91.000
       HIS 155     0.900    48.091 -46.094 -39.723  -99.200  -91.000
       HIS 169     0.900    23.625 -42.226 -43.475  -99.200  -91.000
       PHE 199     1.000    28.715 -13.724 -34.149  -99.200  -91.000
       PHE 209     1.000    20.382 -24.500 -26.512  -99.200  -91.000
       PHE 212     1.000    30.596 -34.198 -27.944  -99.200  -91.000
       HIS 242     0.900    31.034 -44.033 -19.627  -99.200  -91.000
       TYR 304     0.840    15.031 -38.023 -45.455  -99.200  -91.000
       PHE 321     1.000     2.407 -38.818 -21.427  -99.200  -91.000
       TYR 338     0.840     6.814 -32.467 -46.498  -99.200  -91.000
       TYR 345     0.840     1.475 -34.424 -37.953  -99.200  -91.000
       TYR 360     0.840    -3.436 -33.390  -6.625  -99.200  -91.000
       PHE 362     1.000     6.205 -34.123 -13.752  -99.200  -91.000
       PHE 363     1.000     1.775 -28.584  -5.967  -99.200  -91.000
       HIS 371     0.900    17.251 -29.933   3.741  -99.200  -91.000
       TYR 389     0.840    -2.386 -28.612  -9.221  -99.200  -91.000
       TYR 412     0.840     7.695 -26.277  -5.954  -99.200  -91.000
       PHE 441     1.000     9.342  -4.573 -22.584  -99.200  -91.000
       PHE 442     1.000     4.706  -1.958 -16.282  -99.200  -91.000
       HIS 449     0.900    11.956   3.143 -11.321  -99.200  -91.000
       HIS 455     0.900    -0.657   1.838 -12.689  -99.200  -91.000
       PHE 463     1.000    -0.403 -12.851 -22.616  -99.200  -91.000
       TYR 469     0.840    -4.116 -18.398 -21.398  -99.200  -91.000
       TYR 475     0.840   -11.846 -18.240  -7.060  -99.200  -91.000
       HIS 480     0.900     2.812  -8.406  -5.201  -99.200  -91.000
       TYR 481     0.840    13.107 -12.446  -0.912  -99.200  -91.000