=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 33 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900     2.374  48.022  13.063  -99.200  -91.000
       PHE  6     1.000    -6.778  40.631   9.854  -99.200  -91.000
       TYR 22     0.840     3.580  31.000   3.604  -99.200  -91.000
       HIS 30     0.900    11.120  23.302   6.827  -99.200  -91.000
       PHE 42     1.000    -3.083  24.893  16.171  -99.200  -91.000
       TYR 50     0.840    -9.222  27.549   4.993  -99.200  -91.000
       TRP 56     1.040    -3.375  19.295   5.354  -99.200  -91.000
      TRP6 56     1.020    -3.217  21.151   6.820  -99.200  -91.000
       HIS 60     0.900     8.430  19.443   6.110  -99.200  -91.000
       PHE 61     1.000     1.713  22.992  10.322  -99.200  -91.000
       TRP 62     1.040     9.999  22.694  11.808  -99.200  -91.000
      TRP6 62     1.020    11.803  21.295  12.384  -99.200  -91.000
       TRP 63     1.040     4.255  23.255  18.435  -99.200  -91.000
      TRP6 63     1.020     4.153  21.451  16.896  -99.200  -91.000
       TYR 78     0.840     2.019  16.452  18.843  -99.200  -91.000
       PHE 86     1.000    -0.469  19.042  14.044  -99.200  -91.000
       HIS 96     0.900     9.844  18.304  11.038  -99.200  -91.000
       PHE 111     1.000    13.193  23.284  18.633  -99.200  -91.000
       HIS 116     0.900    20.071  16.451   8.465  -99.200  -91.000
       PHE 127     1.000    11.463  27.439  11.805  -99.200  -91.000
       TRP 129     1.040     3.713  33.107   8.966  -99.200  -91.000
      TRP6 129     1.020     1.556  32.337   8.308  -99.200  -91.000
       HIS 139     0.900     5.170  34.925  27.717  -99.200  -91.000
       PHE 144     1.000     8.214  33.121  30.055  -99.200  -91.000
       TYR 150     0.840    16.299  40.225  24.183  -99.200  -91.000
       HIS 161     0.900     5.018  31.037  33.442  -99.200  -91.000
       TYR 184     0.840     6.057  39.462  17.781  -99.200  -91.000
       HIS 199     0.900     1.100  51.605  17.376  -99.200  -91.000
       TYR 208     0.840     6.444  45.268  27.779  -99.200  -91.000
       HIS 214     0.900    13.866  44.222  14.787  -99.200  -91.000
       TRP 222     1.040     3.843  43.991  15.866  -99.200  -91.000
      TRP6 222     1.020     3.849  43.365  18.140  -99.200  -91.000
       TYR 223     0.840    -1.537  38.711  10.641  -99.200  -91.000