=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 44 rings
        ring        int.           center             anis.    iso.
       PHE  5     1.000     4.693  -8.100  12.502  -99.200  -91.000
       TYR 16     0.840    17.429   4.403  13.702  -99.200  -91.000
       TYR 20     0.840    15.438  -5.950  12.192  -99.200  -91.000
       HIS 61     0.900    -2.174  13.961   3.023  -99.200  -91.000
       HIS 72     0.900     6.215   0.144  25.868  -99.200  -91.000
       TYR 78     0.840    10.293  -5.307  17.831  -99.200  -91.000
       PHE 81     1.000     6.854   3.762  10.942  -99.200  -91.000
       PHE 83     1.000     9.534  -2.378   2.133  -99.200  -91.000
       HIS 85     0.900    11.048  -0.124  -5.352  -99.200  -91.000
       PHE 91     1.000    13.093   7.998  -9.042  -99.200  -91.000
       TYR 108     0.840     8.121  11.226  -7.038  -99.200  -91.000
       PHE 110     1.000    -0.811  19.169  -6.500  -99.200  -91.000
       PHE 118     1.000    -3.932  15.686   7.295  -99.200  -91.000
       HIS 120     0.900     4.234  22.886   7.884  -99.200  -91.000
       HIS 122     0.900    -4.356  17.788  10.764  -99.200  -91.000
       HIS 126     0.900     9.845  15.377   8.687  -99.200  -91.000
       PHE 147     1.000     6.008  12.753   9.996  -99.200  -91.000
       PHE 153     1.000     3.047  24.490  14.378  -99.200  -91.000
       TYR 160     0.840     8.483  25.001  19.570  -99.200  -91.000
       HIS 161     0.900    20.818  26.208  17.241  -99.200  -91.000
       TRP 167     1.040    24.972  19.100   2.985  -99.200  -91.000
      TRP6 167     1.020    25.284  17.255   1.556  -99.200  -91.000
       TYR 168     0.840    18.672  18.257   2.407  -99.200  -91.000
       TYR 179     0.840    10.016  33.444  19.910  -99.200  -91.000
       TYR 180     0.840    12.790  25.822  15.162  -99.200  -91.000
       TRP 187     1.040    16.229  26.534   3.574  -99.200  -91.000
      TRP6 187     1.020    16.645  28.695   2.664  -99.200  -91.000
       PHE 193     1.000    10.743  22.837  -7.560  -99.200  -91.000
       PHE 203     1.000    21.314  26.770  -0.782  -99.200  -91.000
       PHE 213     1.000    30.553  33.288   5.332  -99.200  -91.000
       PHE 216     1.000    24.726  34.773   4.495  -99.200  -91.000
       TRP 227     1.040    15.055  37.720   7.884  -99.200  -91.000
      TRP6 227     1.020    16.423  35.805   7.875  -99.200  -91.000
       TYR 236     0.840    24.280  39.877  10.180  -99.200  -91.000
       PHE 240     1.000    27.500  36.093   9.117  -99.200  -91.000
       TRP 243     1.040    29.698  36.447  -1.571  -99.200  -91.000
      TRP6 243     1.020    30.101  35.498   0.563  -99.200  -91.000
       PHE 248     1.000    15.429  31.697  -7.310  -99.200  -91.000
       HIS 268     0.900    10.691  36.230   0.794  -99.200  -91.000
       TYR 269     0.840    18.504  34.997   2.369  -99.200  -91.000
       HIS 283     0.900     3.858  29.016  -8.551  -99.200  -91.000
       PHE 285     1.000     6.677  23.411 -11.120  -99.200  -91.000
       PHE 286     1.000     2.797  22.299  -7.595  -99.200  -91.000
       HIS 295     0.900    13.054   3.183 -16.348  -99.200  -91.000