=============================================================================
          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    42.814  40.364  42.898  -99.200  -91.000
       PHE  2     1.000    40.219  40.053  37.339  -99.200  -91.000
       TYR  9     0.840    28.735  44.623  33.752  -99.200  -91.000
       TYR 16     0.840    17.057  29.136  34.565  -99.200  -91.000
       HIS 22     0.900    13.077  28.622  42.010  -99.200  -91.000
       PHE 23     1.000    13.601  33.309  34.908  -99.200  -91.000
       HIS 42     0.900     8.555  43.545  41.697  -99.200  -91.000
       TYR 56     0.840    27.847  49.272  43.373  -99.200  -91.000
       TYR 64     0.840    22.386  50.461  44.310  -99.200  -91.000
       TYR 74     0.840    20.773  44.322  52.935  -99.200  -91.000
       PHE 85     1.000    26.645  40.755  45.952  -99.200  -91.000
       HIS 93     0.900    27.320  27.853  29.801  -99.200  -91.000
       TYR 94     0.840    26.363  26.812  34.668  -99.200  -91.000
       TYR 97     0.840    26.643  37.636  39.610  -99.200  -91.000
       HIS 102     0.900    30.587  39.428  54.992  -99.200  -91.000
       TRP 107     1.040    30.044  33.785  53.933  -99.200  -91.000
      TRP6 107     1.020    29.187  35.289  55.544  -99.200  -91.000
       PHE 108     1.000    30.828  31.233  45.865  -99.200  -91.000
       HIS 124     0.900    30.005  25.577  51.654  -99.200  -91.000
       TYR 125     0.840    34.959  29.029  44.341  -99.200  -91.000
       PHE 132     1.000    22.420  32.975  40.575  -99.200  -91.000