=============================================================================
          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.
       TYR  8     0.840    14.846  28.090  25.981  -99.200  -91.000
       HIS 18     0.900    11.019  26.416   7.008  -99.200  -91.000
       PHE 21     1.000    10.195  29.136  13.479  -99.200  -91.000
       HIS 28     0.900    12.933  35.891  20.182  -99.200  -91.000
       PHE 29     1.000    21.934  36.662  16.848  -99.200  -91.000
       HIS 39     0.900    28.824  34.911  27.614  -99.200  -91.000
       TYR 41     0.840    18.175  33.447  21.118  -99.200  -91.000
       HIS 54     0.900    24.442   3.292  12.610  -99.200  -91.000
       TYR 57     0.840    13.752   9.033  14.327  -99.200  -91.000
       TRP 70     1.040    26.160  29.485  26.142  -99.200  -91.000
      TRP6 70     1.020    25.058  29.264  24.037  -99.200  -91.000
       PHE 71     1.000    20.384  32.883  31.022  -99.200  -91.000
       TYR 77     0.840    17.402  32.236  34.900  -99.200  -91.000
       TYR 80     0.840    16.926  35.952  30.343  -99.200  -91.000
       TRP 89     1.040    14.331  38.167  22.851  -99.200  -91.000
      TRP6 89     1.020    15.471  36.467  24.066  -99.200  -91.000
       PHE 90     1.000    11.197  34.925  27.840  -99.200  -91.000
       HIS 92     0.900     9.939  38.359  17.682  -99.200  -91.000
       TYR 95     0.840     4.118  37.634  14.901  -99.200  -91.000
       PHE 96     1.000    10.387  33.483  17.094  -99.200  -91.000
       PHE 103     1.000    15.133  19.264  26.175  -99.200  -91.000