=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 35 rings
        ring        int.           center             anis.    iso.
       TYR 11     0.840    -8.323  30.967  40.988  -99.200  -91.000
       PHE 14     1.000    -4.110  31.057  36.512  -99.200  -91.000
       PHE 19     1.000    -4.128  21.342  36.205  -99.200  -91.000
       HIS 64     0.900    -1.341  29.040  53.310  -99.200  -91.000
       PHE 68     1.000    -6.621  24.107  60.511  -99.200  -91.000
       TYR 84     0.840   -14.385  27.751  60.829  -99.200  -91.000
       HIS 90     0.900   -20.900  40.516  59.388  -99.200  -91.000
       TYR 95     0.840   -12.541  28.684  44.662  -99.200  -91.000
       HIS 98     0.900    -2.371  24.875  50.608  -99.200  -91.000
       TRP 111     1.040     2.848  34.387  39.011  -99.200  -91.000
      TRP6 111     1.020     0.970  34.035  40.402  -99.200  -91.000
       PHE 112     1.000     7.218  32.416  45.101  -99.200  -91.000
       TYR 122     0.840     6.819  18.408  36.490  -99.200  -91.000
       PHE 143     1.000    24.214  29.998  49.807  -99.200  -91.000
       TRP 144     1.040    27.142  38.323  49.994  -99.200  -91.000
      TRP6 144     1.020    26.734  38.541  52.318  -99.200  -91.000
       PHE 154     1.000    10.837  36.408  46.499  -99.200  -91.000
       HIS 162     0.900    26.709  29.577  55.072  -99.200  -91.000
       TYR 163     0.840    26.507  22.152  58.444  -99.200  -91.000
       PHE 185     1.000     6.898  18.955  47.510  -99.200  -91.000
       TYR 186     0.840    16.543  17.166  51.192  -99.200  -91.000
       TYR 197     0.840    13.729  23.081  47.678  -99.200  -91.000
       TYR 203     0.840     9.720  20.770  60.070  -99.200  -91.000
       TYR 204     0.840    19.342  22.602  64.273  -99.200  -91.000
       HIS 205     0.900    17.735  15.311  61.548  -99.200  -91.000
       HIS 221     0.900     4.546  28.660  54.993  -99.200  -91.000
       TYR 222     0.840     2.948  37.726  55.079  -99.200  -91.000
       PHE 227     1.000    -3.685  33.217  46.256  -99.200  -91.000
       TRP 238     1.040    -9.185  36.865  33.436  -99.200  -91.000
      TRP6 238     1.020    -9.053  35.112  35.039  -99.200  -91.000
       TRP 244     1.040   -16.062  39.526  34.460  -99.200  -91.000
      TRP6 244     1.020   -14.454  38.296  35.685  -99.200  -91.000
       PHE 258     1.000     6.392  33.054  62.642  -99.200  -91.000
       HIS 259     0.900     5.374  41.177  62.943  -99.200  -91.000
       HIS 260     0.900    12.800  36.969  61.589  -99.200  -91.000