=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 34 rings
        ring        int.           center             anis.    iso.
       HIS 13     0.900    34.997 -14.149  -1.436  -99.200  -91.000
       PHE 39     1.000    40.377 -16.601 -16.038  -99.200  -91.000
       HIS 45     0.900    33.637  -8.447  -5.185  -99.200  -91.000
       PHE 56     1.000    43.017   0.415 -17.567  -99.200  -91.000
       HIS 60     0.900    59.847  -3.479 -10.319  -99.200  -91.000
       PHE 71     1.000    42.872  -6.612 -17.713  -99.200  -91.000
       PHE 84     1.000    25.086   4.526 -24.620  -99.200  -91.000
       TYR 100     0.840    21.399  -8.331 -22.986  -99.200  -91.000
       TYR 119     0.840    55.882  -9.552 -18.999  -99.200  -91.000
       TYR 139     0.840    30.600 -17.706  -4.152  -99.200  -91.000
       PHE 156     1.000    21.324  -8.959  -9.998  -99.200  -91.000
       TYR 159     0.840    18.458  -6.089 -18.214  -99.200  -91.000
       TYR 165     0.840    22.929 -17.219 -15.936  -99.200  -91.000
       PHE 166     1.000    24.449 -13.013 -11.139  -99.200  -91.000
       PHE 167     1.000    16.656 -11.837  -8.487  -99.200  -91.000
       HIS 171     0.900    11.424 -14.512 -10.635  -99.200  -91.000
       TYR 174     0.840    21.493 -17.235  -4.665  -99.200  -91.000
       PHE 180     1.000    25.590 -17.196  -7.069  -99.200  -91.000
       PHE 200     1.000    34.382 -13.658 -22.982  -99.200  -91.000
       TYR 201     0.840    37.887 -12.175 -25.889  -99.200  -91.000
       TYR 228     0.840    39.572  -6.566 -25.809  -99.200  -91.000
       TRP 232     1.040    51.437  -6.840 -23.544  -99.200  -91.000
      TRP6 232     1.020    51.632  -7.265 -21.215  -99.200  -91.000
       TYR 240     0.840    54.633  12.756  -2.454  -99.200  -91.000
       TYR 243     0.840    59.663   6.456  -0.586  -99.200  -91.000
       HIS 257     0.900    44.157  13.751 -14.291  -99.200  -91.000
       TYR 275     0.840    45.147  11.339   8.748  -99.200  -91.000
       HIS 282     0.900    44.536  25.603   0.893  -99.200  -91.000
       TYR 292     0.840    39.315  14.085  -9.748  -99.200  -91.000
       TYR 298     0.840    43.696  20.122 -21.532  -99.200  -91.000
       PHE 304     1.000    40.101   5.064 -31.321  -99.200  -91.000
       TYR 317     0.840    49.578  21.731 -15.491  -99.200  -91.000
       PHE 322     1.000    53.210  24.866  -3.330  -99.200  -91.000
       HIS 344     0.900    45.186  27.082 -24.253  -99.200  -91.000