=============================================================================
          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    57.204  41.095  21.738  -99.200  -91.000
       HIS 17     0.900    60.977  55.714  25.063  -99.200  -91.000
       TYR 21     0.840    67.253  63.539  22.314  -99.200  -91.000
       HIS 39     0.900    43.012  54.025  24.527  -99.200  -91.000
       PHE 58     1.000    40.238  64.020  14.446  -99.200  -91.000
       HIS 64     0.900    45.270  48.027  10.632  -99.200  -91.000
       HIS 67     0.900    47.379  46.713  18.002  -99.200  -91.000
       TYR 91     0.840    49.301  65.950  12.771  -99.200  -91.000
       TYR 104     0.840    45.404  50.576  -5.522  -99.200  -91.000
       TRP 106     1.040    38.216  56.434  -1.267  -99.200  -91.000
      TRP6 106     1.020    36.937  54.811  -0.099  -99.200  -91.000
       TRP 113     1.040    45.152  66.413   5.261  -99.200  -91.000
      TRP6 113     1.020    46.389  65.968   7.254  -99.200  -91.000
       TYR 167     0.840    53.117  46.854  -6.156  -99.200  -91.000
       TYR 171     0.840    54.756  51.529  -5.836  -99.200  -91.000
       PHE 189     1.000    52.122  37.269  10.396  -99.200  -91.000
       TYR 214     0.840    45.147  49.921  27.137  -99.200  -91.000
       TYR 217     0.840    44.036  43.989  16.813  -99.200  -91.000
       HIS 226     0.900    56.801  47.441  17.076  -99.200  -91.000
       HIS 238     0.900    71.125  62.627  15.537  -99.200  -91.000
       TRP 241     1.040    70.838  63.165  11.260  -99.200  -91.000
      TRP6 241     1.020    71.042  60.997  12.169  -99.200  -91.000
       PHE 261     1.000    63.007  35.431  -1.408  -99.200  -91.000
       TYR 262     0.840    63.348  32.884   2.996  -99.200  -91.000
       TYR 263     0.840    64.780  36.067   9.376  -99.200  -91.000
       HIS 276     0.900    76.195  62.641  15.627  -99.200  -91.000
       HIS 277     0.900    81.006  58.427  13.917  -99.200  -91.000
       HIS 278     0.900    74.059  55.895  11.471  -99.200  -91.000
       HIS 279     0.900    78.946  49.806  14.955  -99.200  -91.000
       HIS 280     0.900    74.009  46.238   9.364  -99.200  -91.000
       HIS 281     0.900    75.494  47.428  17.705  -99.200  -91.000