=============================================================================
          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    44.424  44.559  40.533  -99.200  -91.000
       PHE  2     1.000    40.468  39.933  37.174  -99.200  -91.000
       TYR  9     0.840    29.148  44.604  33.540  -99.200  -91.000
       TYR 16     0.840    17.532  29.385  33.966  -99.200  -91.000
       HIS 22     0.900    13.327  28.660  41.649  -99.200  -91.000
       PHE 23     1.000    13.740  33.578  34.712  -99.200  -91.000
       HIS 42     0.900     8.822  43.644  41.817  -99.200  -91.000
       TYR 56     0.840    27.915  49.276  43.166  -99.200  -91.000
       TYR 65     0.840    22.469  50.264  43.966  -99.200  -91.000
       TYR 75     0.840    20.897  44.081  52.672  -99.200  -91.000
       PHE 86     1.000    26.863  40.750  45.733  -99.200  -91.000
       HIS 94     0.900    27.338  27.468  29.964  -99.200  -91.000
       TYR 95     0.840    26.425  26.985  34.347  -99.200  -91.000
       TYR 98     0.840    26.962  37.692  39.376  -99.200  -91.000
       HIS 103     0.900    30.773  39.391  54.731  -99.200  -91.000
       TRP 108     1.040    30.138  33.751  53.669  -99.200  -91.000
      TRP6 108     1.020    29.409  35.344  55.245  -99.200  -91.000
       PHE 109     1.000    30.879  31.114  45.562  -99.200  -91.000
       HIS 125     0.900    29.458  23.761  49.120  -99.200  -91.000
       TYR 126     0.840    34.846  28.684  44.073  -99.200  -91.000
       PHE 133     1.000    22.633  33.113  40.281  -99.200  -91.000