=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 35 rings
        ring        int.           center             anis.    iso.
       HIS  8     0.900    38.258 -38.925  13.321  -99.200  -91.000
       TYR 12     0.840    55.058 -29.034  13.500  -99.200  -91.000
       HIS 20     0.900    57.771 -17.324  23.371  -99.200  -91.000
       HIS 21     0.900    60.410 -22.092  17.735  -99.200  -91.000
       PHE 22     1.000    53.708 -20.064  17.827  -99.200  -91.000
       TYR 33     0.840    30.429 -33.606   1.987  -99.200  -91.000
       PHE 51     1.000    51.841 -15.513  20.916  -99.200  -91.000
       PHE 53     1.000    45.541 -21.097  20.965  -99.200  -91.000
       PHE 60     1.000    45.975 -23.860  16.122  -99.200  -91.000
       HIS 62     0.900    40.131 -22.055   4.603  -99.200  -91.000
       PHE 64     1.000    36.500 -30.745   8.532  -99.200  -91.000
       HIS 67     0.900    31.589 -24.869  -0.291  -99.200  -91.000
       PHE 74     1.000    40.141 -23.604  -4.811  -99.200  -91.000
       TRP 75     1.040    39.110 -24.296   0.211  -99.200  -91.000
      TRP6 75     1.020    37.306 -22.787   0.183  -99.200  -91.000
       PHE 79     1.000    41.040 -32.513   0.414  -99.200  -91.000
       PHE 83     1.000    42.618 -26.763   1.269  -99.200  -91.000
       TRP 85     1.040    45.008 -21.895   4.485  -99.200  -91.000
      TRP6 85     1.020    45.985 -20.576   6.174  -99.200  -91.000
       TYR 91     0.840    45.703  -8.855  14.727  -99.200  -91.000
       TYR 112     0.840    43.725 -29.197   8.454  -99.200  -91.000
       PHE 121     1.000    50.603  -9.384  16.626  -99.200  -91.000
       TRP 135     1.040    39.498 -14.337  16.493  -99.200  -91.000
      TRP6 135     1.020    40.425 -12.379  15.554  -99.200  -91.000
       HIS 138     0.900    35.434 -14.681  10.961  -99.200  -91.000
       TYR 143     0.840    38.869 -11.683  -5.200  -99.200  -91.000
       HIS 164     0.900    33.940  -5.375  19.256  -99.200  -91.000
       PHE 169     1.000    41.920 -13.189   9.009  -99.200  -91.000
       TYR 173     0.840    41.457 -19.481   0.872  -99.200  -91.000
       TYR 188     0.840    32.604 -19.019  -3.002  -99.200  -91.000
       TYR 189     0.840    29.732 -12.209  -1.004  -99.200  -91.000
       TYR 192     0.840    35.052 -18.772   7.410  -99.200  -91.000
       TYR 205     0.840    42.875 -29.228  25.791  -99.200  -91.000
       HIS 209     0.900    31.748 -26.449  16.777  -99.200  -91.000
       TYR 216     0.840    25.949 -18.208  -5.455  -99.200  -91.000