=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 39 rings
        ring        int.           center             anis.    iso.
       HIS 12     0.900     4.203 -14.544 -74.427  -99.200  -91.000
       HIS 29     0.900     3.134  -8.229 -52.554  -99.200  -91.000
       TYR 34     0.840     2.350 -10.127 -59.371  -99.200  -91.000
       TYR 40     0.840     0.783 -10.711 -72.021  -99.200  -91.000
       TYR 50     0.840    -2.804 -24.205 -70.170  -99.200  -91.000
       PHE 57     1.000     0.777 -13.809 -52.210  -99.200  -91.000
       TYR 65     0.840    -3.919 -10.298 -57.023  -99.200  -91.000
       TRP 71     1.040    -3.328 -29.394 -71.572  -99.200  -91.000
      TRP6 71     1.020    -4.358 -27.701 -72.900  -99.200  -91.000
       HIS 85     0.900    10.829 -13.921 -59.532  -99.200  -91.000
       TYR 117     0.840     2.230 -33.538 -74.327  -99.200  -91.000
       HIS 122     0.900    -3.771 -31.489 -64.309  -99.200  -91.000
       PHE 125     1.000     2.575 -25.362 -68.103  -99.200  -91.000
       TRP 127     1.040     3.524 -17.475 -65.295  -99.200  -91.000
      TRP6 127     1.020     2.122 -19.211 -66.078  -99.200  -91.000
       TRP 128     1.040     5.951 -19.800 -58.304  -99.200  -91.000
      TRP6 128     1.020     4.123 -21.079 -57.530  -99.200  -91.000
       PHE 140     1.000    -1.550 -18.152 -49.565  -99.200  -91.000
       TYR 141     0.840     0.564 -24.327 -55.468  -99.200  -91.000
       TYR 156     0.840     8.242 -25.276 -59.229  -99.200  -91.000
       PHE 159     1.000    11.765 -23.821 -66.560  -99.200  -91.000
       TYR 169     0.840    23.645 -21.248 -72.164  -99.200  -91.000
       PHE 170     1.000    25.800 -20.939 -64.177  -99.200  -91.000
       TYR 172     0.840    17.207 -24.573 -60.310  -99.200  -91.000
       PHE 182     1.000    15.285 -28.630 -67.000  -99.200  -91.000
       TYR 185     0.840    17.002 -28.592 -75.917  -99.200  -91.000
       PHE 186     1.000    20.781 -26.174 -71.887  -99.200  -91.000
       HIS 203     0.900    14.873 -23.934 -56.563  -99.200  -91.000
       PHE 206     1.000     6.308 -26.102 -55.592  -99.200  -91.000
       PHE 217     1.000    21.061 -18.176 -61.802  -99.200  -91.000
       TYR 222     0.840    27.893 -15.846 -57.126  -99.200  -91.000
       TRP 232     1.040    28.566 -21.923 -71.052  -99.200  -91.000
      TRP6 232     1.020    28.692 -21.788 -68.703  -99.200  -91.000
       PHE 240     1.000    27.668 -15.883 -64.600  -99.200  -91.000
       TYR 244     0.840    20.337 -10.010 -58.963  -99.200  -91.000
       HIS 245     0.900    17.204  -8.343 -57.385  -99.200  -91.000
       HIS 268     0.900    14.264 -32.653 -74.305  -99.200  -91.000
       TRP 271     1.040     5.645 -32.213 -75.623  -99.200  -91.000
      TRP6 271     1.020     5.074 -29.923 -75.416  -99.200  -91.000