=============================================================================
          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    -0.801  28.065  64.468  -99.200  -91.000
       PHE  2     1.000    -0.549  28.151  70.192  -99.200  -91.000
       TYR  9     0.840     8.998  32.869  77.136  -99.200  -91.000
       TYR 16     0.840    20.467  18.065  80.522  -99.200  -91.000
       HIS 22     0.900    27.129  17.574  74.858  -99.200  -91.000
       PHE 23     1.000    23.935  22.202  80.942  -99.200  -91.000
       HIS 42     0.900    30.771  32.737  75.701  -99.200  -91.000
       TYR 56     0.840    12.386  37.847  68.882  -99.200  -91.000
       TYR 65     0.840    18.174  38.882  68.574  -99.200  -91.000
       TYR 75     0.840    22.840  32.483  61.124  -99.200  -91.000
       PHE 86     1.000    15.039  29.063  66.262  -99.200  -91.000
       HIS 94     0.900     9.560  16.222  81.642  -99.200  -91.000
       TYR 95     0.840    12.252  15.338  77.643  -99.200  -91.000
       TYR 98     0.840    13.062  25.923  72.417  -99.200  -91.000
       HIS 103     0.900    13.994  27.360  56.599  -99.200  -91.000
       TRP 108     1.040    14.510  21.681  57.932  -99.200  -91.000
      TRP6 108     1.020    15.650  23.241  56.556  -99.200  -91.000
       PHE 109     1.000    11.220  19.305  65.406  -99.200  -91.000
       HIS 125     0.900    13.319  11.968  62.590  -99.200  -91.000
       TYR 126     0.840     6.867  16.924  65.713  -99.200  -91.000
       PHE 133     1.000    17.559  21.536  73.034  -99.200  -91.000