=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 46 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900    21.683 -21.386 -27.218  -99.200  -91.000
       TYR  7     0.840    10.074 -12.706 -32.762  -99.200  -91.000
       PHE  8     1.000     8.943 -12.324 -24.187  -99.200  -91.000
       TYR  9     0.840     3.189 -10.186 -31.249  -99.200  -91.000
       PHE 22     1.000     1.751  -5.244 -31.716  -99.200  -91.000
       TYR 27     0.840    14.097 -10.050 -24.526  -99.200  -91.000
       PHE 33     1.000    15.786 -11.428 -32.299  -99.200  -91.000
       PHE 36     1.000     5.935  -1.871 -35.042  -99.200  -91.000
       TRP 51     1.040    23.173 -11.402 -32.328  -99.200  -91.000
      TRP6 51     1.020    20.976 -12.109 -32.823  -99.200  -91.000
       TYR 59     0.840    15.047 -10.338 -40.291  -99.200  -91.000
       TRP 60     1.040    16.585  -5.385 -41.082  -99.200  -91.000
      TRP6 60     1.020    16.177  -5.694 -38.764  -99.200  -91.000
       TYR 74     0.840    -2.098  -9.071 -31.138  -99.200  -91.000
       TYR 84     0.840   -14.895 -12.747 -27.732  -99.200  -91.000
       TYR 85     0.840   -12.794 -11.505 -20.701  -99.200  -91.000
       HIS 93     0.900   -10.059  -3.374 -20.100  -99.200  -91.000
       TYR 99     0.840     5.326 -15.553 -32.128  -99.200  -91.000
       TYR 113     0.840     7.450 -22.383 -24.714  -99.200  -91.000
       TYR 116     0.840    -2.283 -15.450 -28.567  -99.200  -91.000
       TYR 118     0.840    -8.874  -8.316 -21.879  -99.200  -91.000
       TYR 123     0.840    -8.723 -14.534 -24.528  -99.200  -91.000
       TRP 133     1.040    -5.887 -23.662 -30.003  -99.200  -91.000
      TRP6 133     1.020    -4.175 -22.058 -30.287  -99.200  -91.000
       TRP 147     1.040    -7.762 -18.207 -32.812  -99.200  -91.000
      TRP6 147     1.020    -6.101 -17.654 -31.223  -99.200  -91.000
       TYR 159     0.840     7.099 -18.990 -36.343  -99.200  -91.000
       TYR 171     0.840    17.351 -14.702 -35.884  -99.200  -91.000
       HIS 188     0.900    31.505  -9.558  -3.456  -99.200  -91.000
       HIS 191     0.900    30.734  -9.820   9.222  -99.200  -91.000
       HIS 192     0.900    27.315  -5.292   4.432  -99.200  -91.000
       HIS 197     0.900    22.240  -7.953  20.355  -99.200  -91.000
       TRP 204     1.040    27.125  -8.744  -2.851  -99.200  -91.000
      TRP6 204     1.020    25.751  -7.093  -3.837  -99.200  -91.000
       PHE 208     1.000    23.931 -13.782 -12.741  -99.200  -91.000
       TYR 209     0.840    23.509 -13.917 -22.007  -99.200  -91.000
       TRP 217     1.040    23.494 -17.085   2.163  -99.200  -91.000
      TRP6 217     1.020    25.762 -17.124   2.837  -99.200  -91.000
       PHE 241     1.000    20.241 -10.750 -17.235  -99.200  -91.000
       TRP 244     1.040    21.687  -8.304  -3.113  -99.200  -91.000
      TRP6 244     1.020    20.211  -8.510  -1.283  -99.200  -91.000
       TYR 257     0.840    24.447 -19.194   8.834  -99.200  -91.000
       HIS 260     0.900    26.371 -24.606  -0.793  -99.200  -91.000
       HIS 263     0.900    25.611 -18.439 -15.069  -99.200  -91.000
       TRP 274     1.040    33.084 -13.101   7.141  -99.200  -91.000
      TRP6 274     1.020    33.605 -11.175   5.878  -99.200  -91.000