=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 21 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    -1.133  29.931  56.047  -99.200  -91.000
       PHE  2     1.000    -0.283  27.819  70.129  -99.200  -91.000
       TYR  9     0.840     9.592  32.317  77.020  -99.200  -91.000
       TYR 16     0.840    20.462  16.899  79.877  -99.200  -91.000
       HIS 22     0.900    26.675  16.166  73.995  -99.200  -91.000
       PHE 23     1.000    24.231  21.155  80.513  -99.200  -91.000
       HIS 42     0.900    31.437  30.973  74.827  -99.200  -91.000
       TYR 56     0.840    13.266  36.851  68.074  -99.200  -91.000
       TYR 65     0.840    19.057  37.767  69.343  -99.200  -91.000
       TYR 75     0.840    22.990  31.505  60.940  -99.200  -91.000
       PHE 86     1.000    15.117  28.278  66.107  -99.200  -91.000
       HIS 94     0.900     9.656  15.840  81.486  -99.200  -91.000
       TYR 95     0.840    11.978  14.764  77.330  -99.200  -91.000
       TYR 98     0.840    13.208  25.343  72.133  -99.200  -91.000
       HIS 103     0.900    13.915  27.006  56.364  -99.200  -91.000
       TRP 108     1.040    14.279  21.237  57.543  -99.200  -91.000
      TRP6 108     1.020    15.448  22.811  56.222  -99.200  -91.000
       PHE 109     1.000    11.017  18.736  65.097  -99.200  -91.000
       HIS 125     0.900    12.871  11.372  62.247  -99.200  -91.000
       TYR 126     0.840     6.490  16.706  65.175  -99.200  -91.000
       PHE 133     1.000    17.522  20.690  72.530  -99.200  -91.000