=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 47 rings
        ring        int.           center             anis.    iso.
       HIS  6     0.900    33.204 -17.999  13.763  -99.200  -91.000
       HIS 18     0.900    18.206 -22.247   8.722  -99.200  -91.000
       HIS 20     0.900    13.693 -21.509  12.200  -99.200  -91.000
       PHE 33     1.000    22.998 -18.525   7.467  -99.200  -91.000
       PHE 56     1.000    21.387 -13.974  -4.112  -99.200  -91.000
       HIS 68     0.900    17.446 -17.340  17.348  -99.200  -91.000
       TYR 72     0.840    28.314  -9.886  15.689  -99.200  -91.000
       HIS 87     0.900    25.215 -12.545 -10.664  -99.200  -91.000
       PHE 91     1.000    22.477 -10.870   3.520  -99.200  -91.000
       HIS 92     0.900    16.018  -4.477   1.512  -99.200  -91.000
       PHE 116     1.000    24.101  -9.134   7.734  -99.200  -91.000
       PHE 124     1.000    15.374  -6.908   8.920  -99.200  -91.000
       TYR 126     0.840    18.814 -13.529   0.480  -99.200  -91.000
       HIS 127     0.900    18.031  -5.910  -3.459  -99.200  -91.000
       TRP 136     1.040    18.304  -8.237 -16.597  -99.200  -91.000
      TRP6 136     1.020    20.524  -8.787 -17.263  -99.200  -91.000
       HIS 137     0.900    22.457  -8.882 -12.156  -99.200  -91.000
       HIS 163     0.900     3.268 -22.094  19.191  -99.200  -91.000
       TYR 164     0.840     8.005 -19.916  13.300  -99.200  -91.000
       TYR 168     0.840     4.830 -24.769   4.503  -99.200  -91.000
       PHE 173     1.000    11.111 -14.218  -7.069  -99.200  -91.000
       TYR 176     0.840     8.430  -6.255 -14.822  -99.200  -91.000
       TYR 185     0.840     4.859 -13.914 -22.897  -99.200  -91.000
       TYR 188     0.840    15.262 -12.586 -25.227  -99.200  -91.000
       TYR 195     0.840    20.462  -4.580 -19.918  -99.200  -91.000
       HIS 209     0.900     4.617 -14.887 -17.800  -99.200  -91.000
       PHE 212     1.000     2.175 -16.532  -4.440  -99.200  -91.000
       HIS 237     0.900     3.718 -13.154  -0.351  -99.200  -91.000
       HIS 247     0.900    -8.056 -13.595   1.266  -99.200  -91.000
       HIS 252     0.900   -10.174 -14.824   8.935  -99.200  -91.000
       TRP 255     1.040    -1.477 -13.426  16.994  -99.200  -91.000
      TRP6 255     1.020    -2.302 -11.500  18.095  -99.200  -91.000
       TRP 257     1.040     5.116  -8.900  13.871  -99.200  -91.000
      TRP6 257     1.020     4.528 -11.134  14.434  -99.200  -91.000
       PHE 262     1.000     9.484 -11.471  13.116  -99.200  -91.000
       TRP 273     1.040    -0.466 -10.749   5.043  -99.200  -91.000
      TRP6 273     1.020    -2.150 -12.383   5.410  -99.200  -91.000
       PHE 274     1.000     0.616  -2.632   0.076  -99.200  -91.000
       TYR 285     0.840    -5.637 -19.456   9.650  -99.200  -91.000
       PHE 287     1.000    -3.903 -23.762   7.718  -99.200  -91.000
       TYR 293     0.840    -7.623 -23.515   4.652  -99.200  -91.000
       TYR 295     0.840     0.155 -16.899   1.141  -99.200  -91.000
       HIS 298     0.900    -8.797 -10.886  -2.693  -99.200  -91.000
       PHE 304     1.000    -8.057 -17.047  -8.790  -99.200  -91.000
       HIS 311     0.900    -4.109 -24.790  -5.355  -99.200  -91.000
       TRP 318     1.040   -16.852 -28.906   8.280  -99.200  -91.000
      TRP6 318     1.020   -15.783 -27.348   6.855  -99.200  -91.000