=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 31 rings
        ring        int.           center             anis.    iso.
       TYR  6     0.840    56.541  40.841  22.042  -99.200  -91.000
       HIS 17     0.900    60.425  55.391  25.308  -99.200  -91.000
       TYR 21     0.840    66.720  63.184  22.478  -99.200  -91.000
       HIS 39     0.900    42.515  53.882  24.997  -99.200  -91.000
       PHE 58     1.000    39.713  63.797  14.988  -99.200  -91.000
       HIS 64     0.900    44.527  47.762  11.123  -99.200  -91.000
       HIS 67     0.900    46.720  46.469  18.430  -99.200  -91.000
       TYR 91     0.840    48.743  65.592  13.166  -99.200  -91.000
       TYR 104     0.840    44.616  50.317  -4.997  -99.200  -91.000
       TRP 106     1.040    37.458  56.169  -0.635  -99.200  -91.000
      TRP6 106     1.020    36.141  54.593   0.574  -99.200  -91.000
       TRP 113     1.040    44.503  66.154   5.725  -99.200  -91.000
      TRP6 113     1.020    45.782  65.732   7.713  -99.200  -91.000
       TYR 167     0.840    52.266  46.511  -5.767  -99.200  -91.000
       TYR 171     0.840    53.975  51.124  -5.444  -99.200  -91.000
       PHE 189     1.000    51.252  37.048  10.835  -99.200  -91.000
       TYR 214     0.840    44.576  49.769  27.566  -99.200  -91.000
       TYR 217     0.840    43.399  43.810  17.207  -99.200  -91.000
       HIS 226     0.900    56.139  47.165  17.447  -99.200  -91.000
       HIS 238     0.900    70.524  62.264  15.689  -99.200  -91.000
       TRP 241     1.040    70.196  62.738  11.454  -99.200  -91.000
      TRP6 241     1.020    70.396  60.588  12.375  -99.200  -91.000
       PHE 261     1.000    62.030  35.095  -0.985  -99.200  -91.000
       TYR 262     0.840    62.383  32.548   3.404  -99.200  -91.000
       TYR 263     0.840    63.953  35.733   9.682  -99.200  -91.000
       HIS 276     0.900    75.578  62.239  15.696  -99.200  -91.000
       HIS 277     0.900    80.316  57.954  14.221  -99.200  -91.000
       HIS 278     0.900    73.308  55.459  11.653  -99.200  -91.000
       HIS 279     0.900    78.246  49.424  15.181  -99.200  -91.000
       HIS 280     0.900    73.221  45.856   9.638  -99.200  -91.000
       HIS 281     0.900    74.851  47.169  18.004  -99.200  -91.000