=============================================================================
          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    56.714  40.886  21.849  -99.200  -91.000
       HIS 17     0.900    60.556  55.458  25.087  -99.200  -91.000
       TYR 21     0.840    66.836  63.278  22.322  -99.200  -91.000
       HIS 39     0.900    42.679  53.843  24.718  -99.200  -91.000
       PHE 58     1.000    39.885  63.775  14.634  -99.200  -91.000
       HIS 64     0.900    44.799  47.781  10.850  -99.200  -91.000
       HIS 67     0.900    46.958  46.504  18.175  -99.200  -91.000
       TYR 91     0.840    48.923  65.664  12.901  -99.200  -91.000
       TYR 104     0.840    44.946  50.301  -5.294  -99.200  -91.000
       TRP 106     1.040    37.748  56.176  -0.997  -99.200  -91.000
      TRP6 106     1.020    36.462  54.544   0.165  -99.200  -91.000
       TRP 113     1.040    44.733  66.174   5.456  -99.200  -91.000
      TRP6 113     1.020    45.993  65.717   7.429  -99.200  -91.000
       TYR 167     0.840    52.584  46.579  -5.997  -99.200  -91.000
       TYR 171     0.840    54.243  51.182  -5.685  -99.200  -91.000
       PHE 189     1.000    51.526  37.049  10.584  -99.200  -91.000
       TYR 214     0.840    44.709  49.742  27.322  -99.200  -91.000
       TYR 217     0.840    43.632  43.806  16.964  -99.200  -91.000
       HIS 226     0.900    56.336  47.209  17.232  -99.200  -91.000
       HIS 238     0.900    70.665  62.312  15.562  -99.200  -91.000
       TRP 241     1.040    70.375  62.835  11.277  -99.200  -91.000
      TRP6 241     1.020    70.587  60.683  12.223  -99.200  -91.000
       PHE 261     1.000    62.384  35.138  -1.193  -99.200  -91.000
       TYR 262     0.840    62.751  32.603   3.191  -99.200  -91.000
       TYR 263     0.840    64.208  35.829   9.478  -99.200  -91.000
       HIS 276     0.900    75.631  62.340  15.525  -99.200  -91.000
       HIS 277     0.900    80.515  58.059  14.039  -99.200  -91.000
       HIS 278     0.900    73.518  55.542  11.525  -99.200  -91.000
       HIS 279     0.900    78.433  49.532  15.052  -99.200  -91.000
       HIS 280     0.900    73.468  45.924   9.501  -99.200  -91.000
       HIS 281     0.900    75.037  47.196  17.888  -99.200  -91.000