=============================================================================
          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    -2.781  27.402  66.676  -99.200  -91.000
       PHE  2     1.000    -0.368  27.819  70.254  -99.200  -91.000
       TYR  9     0.840     9.273  32.328  76.906  -99.200  -91.000
       TYR 16     0.840    20.282  17.326  80.068  -99.200  -91.000
       HIS 22     0.900    26.930  16.844  74.290  -99.200  -91.000
       PHE 23     1.000    24.169  21.553  80.591  -99.200  -91.000
       HIS 42     0.900    31.253  31.635  75.097  -99.200  -91.000
       TYR 56     0.840    13.008  36.984  68.030  -99.200  -91.000
       TYR 65     0.840    18.695  38.073  69.252  -99.200  -91.000
       TYR 75     0.840    22.844  31.839  60.883  -99.200  -91.000
       PHE 86     1.000    14.945  28.504  66.109  -99.200  -91.000
       HIS 94     0.900     9.570  15.710  81.330  -99.200  -91.000
       TYR 95     0.840    12.061  14.888  77.300  -99.200  -91.000
       TYR 98     0.840    13.131  25.417  72.129  -99.200  -91.000
       HIS 103     0.900    13.801  26.995  56.314  -99.200  -91.000
       TRP 108     1.040    14.258  21.259  57.605  -99.200  -91.000
      TRP6 108     1.020    15.331  22.846  56.203  -99.200  -91.000
       PHE 109     1.000    11.232  18.729  65.109  -99.200  -91.000
       HIS 125     0.900    13.580  11.323  62.308  -99.200  -91.000
       TYR 126     0.840     6.873  16.347  65.556  -99.200  -91.000
       PHE 133     1.000    17.510  20.927  72.621  -99.200  -91.000