=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 40 rings
        ring        int.           center             anis.    iso.
       HIS  5     0.900    26.153   8.265   9.362  -99.200  -91.000
       PHE 11     1.000    34.710   0.151  16.139  -99.200  -91.000
       TYR 15     0.840    36.338  -4.366  17.749  -99.200  -91.000
       HIS 18     0.900    25.555  -8.573  17.989  -99.200  -91.000
       HIS 39     0.900    44.206  12.763   8.568  -99.200  -91.000
       HIS 65     0.900    37.343  -0.386  25.860  -99.200  -91.000
       HIS 66     0.900    38.022   3.263  29.721  -99.200  -91.000
       PHE 70     1.000    28.997   4.437  32.673  -99.200  -91.000
       HIS 77     0.900    27.697  23.070  35.308  -99.200  -91.000
       TYR 82     0.840    32.435  15.309  31.437  -99.200  -91.000
       TYR 97     0.840    31.029   4.358  17.272  -99.200  -91.000
       HIS 100     0.900    33.129   0.286  28.584  -99.200  -91.000
       TYR 130     0.840    26.096 -12.925  20.219  -99.200  -91.000
       PHE 140     1.000     8.571 -29.204   2.865  -99.200  -91.000
       HIS 145     0.900    13.954 -28.027 -11.308  -99.200  -91.000
       HIS 160     0.900    31.862 -23.404   6.706  -99.200  -91.000
       TYR 164     0.840    33.071 -33.054   8.053  -99.200  -91.000
       HIS 166     0.900    29.024 -26.290  -0.311  -99.200  -91.000
       PHE 169     1.000    18.090 -36.738   6.289  -99.200  -91.000
       PHE 177     1.000    -0.389 -29.511  -5.608  -99.200  -91.000
       HIS 210     0.900    11.298 -24.186  -4.891  -99.200  -91.000
       TYR 212     0.840     7.595 -25.990  -8.567  -99.200  -91.000
       TYR 217     0.840    11.239 -19.590   3.201  -99.200  -91.000
       TYR 220     0.840    11.070 -26.331  11.630  -99.200  -91.000
       TYR 236     0.840    46.328 -24.270  30.274  -99.200  -91.000
       PHE 246     1.000    51.316 -13.835  35.250  -99.200  -91.000
       HIS 249     0.900    55.337 -13.007  30.745  -99.200  -91.000
       TYR 282     0.840    33.016 -10.706  35.174  -99.200  -91.000
       PHE 288     1.000    33.419 -24.129  38.131  -99.200  -91.000
       TYR 294     0.840    40.505 -11.952  37.262  -99.200  -91.000
       TYR 300     0.840    36.183  -2.116  47.852  -99.200  -91.000
       TYR 301     0.840    41.617  -4.095  52.883  -99.200  -91.000
       HIS 302     0.900    36.509  -4.869  52.986  -99.200  -91.000
       HIS 305     0.900    41.751  -9.074  53.412  -99.200  -91.000
       HIS 319     0.900    39.646   0.326  33.834  -99.200  -91.000
       HIS 345     0.900    46.214   8.623   5.631  -99.200  -91.000
       HIS 347     0.900    46.582   9.560  12.109  -99.200  -91.000
       HIS 352     0.900    51.159   6.066  30.482  -99.200  -91.000
       PHE 356     1.000    45.404   4.808  40.124  -99.200  -91.000
       PHE 358     1.000    51.694   0.721  40.870  -99.200  -91.000