=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 42 rings
        ring        int.           center             anis.    iso.
       HIS  5     0.900    41.332 -18.211 -20.439  -99.200  -91.000
       PHE 12     1.000    49.476  -4.394 -25.344  -99.200  -91.000
       TYR 18     0.840    49.350 -15.831  -6.411  -99.200  -91.000
       PHE 52     1.000    73.870 -37.963  -1.984  -99.200  -91.000
       HIS 54     0.900    76.637 -36.462 -12.005  -99.200  -91.000
       HIS 57     0.900    77.360 -40.678   1.447  -99.200  -91.000
       TYR 59     0.840    80.188 -31.220  -4.740  -99.200  -91.000
       HIS 60     0.900    76.049 -34.588  -3.476  -99.200  -91.000
       PHE 94     1.000    84.849 -40.059 -20.127  -99.200  -91.000
       TYR 108     0.840    89.088 -50.716 -29.147  -99.200  -91.000
       PHE 115     1.000    91.240 -49.996 -19.101  -99.200  -91.000
       PHE 124     1.000    83.473 -44.484 -22.982  -99.200  -91.000
       TYR 125     0.840    83.912 -49.093 -14.995  -99.200  -91.000
       TYR 128     0.840    74.016 -54.048 -17.039  -99.200  -91.000
       TYR 140     0.840    72.302 -47.701 -33.357  -99.200  -91.000
       TYR 142     0.840    70.085 -45.506 -27.839  -99.200  -91.000
       HIS 155     0.900    80.548 -59.393 -27.789  -99.200  -91.000
       HIS 169     0.900    77.469 -34.680 -26.484  -99.200  -91.000
       PHE 199     1.000    75.331 -37.633   3.616  -99.200  -91.000
       PHE 209     1.000    63.587 -34.126  -5.944  -99.200  -91.000
       PHE 212     1.000    66.985 -44.629 -14.655  -99.200  -91.000
       HIS 242     0.900    57.403 -49.299 -22.428  -99.200  -91.000
       TYR 304     0.840    76.081 -25.017 -23.042  -99.200  -91.000
       PHE 321     1.000    50.055 -21.682 -20.560  -99.200  -91.000
       TYR 338     0.840    75.605 -16.191 -18.949  -99.200  -91.000
       TYR 345     0.840    65.312 -14.753 -19.878  -99.200  -91.000
       TYR 360     0.840    35.041 -20.963 -12.023  -99.200  -91.000
       PHE 362     1.000    44.972 -27.133 -13.210  -99.200  -91.000
       PHE 363     1.000    36.958 -24.981  -7.374  -99.200  -91.000
       HIS 371     0.900    34.231 -42.633  -4.519  -99.200  -91.000
       TYR 389     0.840    38.348 -19.709  -8.461  -99.200  -91.000
       TYR 412     0.840    39.734 -29.859  -4.545  -99.200  -91.000
       PHE 441     1.000    58.634 -22.573  13.411  -99.200  -91.000
       PHE 442     1.000    51.703 -19.803  16.757  -99.200  -91.000
       HIS 449     0.900    51.491 -27.182  23.165  -99.200  -91.000
       HIS 455     0.900    47.127 -16.680  20.482  -99.200  -91.000
       PHE 463     1.000    53.916 -14.598   4.409  -99.200  -91.000
       TYR 469     0.840    50.634 -12.571  -1.084  -99.200  -91.000
       TYR 475     0.840    34.228 -10.471   2.253  -99.200  -91.000
       HIS 480     0.900    40.579 -22.628  12.118  -99.200  -91.000
       HIS 483     0.900    37.336 -23.211  19.353  -99.200  -91.000
       TYR 488     0.840    38.658 -34.277  10.035  -99.200  -91.000