=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 31 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    28.547 -47.628 -15.258  -99.200  -91.000
       HIS  2     0.900    23.074 -53.895 -17.510  -99.200  -91.000
       TYR 30     0.840    11.982 -23.929 -43.431  -99.200  -91.000
       TRP 36     1.040    17.807 -16.275 -53.165  -99.200  -91.000
      TRP6 36     1.020    16.004 -14.850 -53.734  -99.200  -91.000
       TYR 38     0.840    17.724 -11.372 -42.963  -99.200  -91.000
       HIS 40     0.900    18.861 -12.485 -53.876  -99.200  -91.000
       PHE 48     1.000     7.385 -17.007 -41.515  -99.200  -91.000
       PHE 50     1.000    18.214 -16.223 -37.380  -99.200  -91.000
       HIS 52     0.900     9.309 -22.757 -39.765  -99.200  -91.000
       TYR 57     0.840    19.501 -26.786 -32.760  -99.200  -91.000
       HIS 59     0.900     9.290 -28.021 -33.785  -99.200  -91.000
       PHE 66     1.000    10.089 -39.868 -26.266  -99.200  -91.000
       HIS 84     0.900    23.642 -23.496 -53.715  -99.200  -91.000
       PHE 86     1.000    16.310 -21.356 -52.258  -99.200  -91.000
       PHE 93     1.000     7.779 -17.509 -47.699  -99.200  -91.000
       TYR 97     0.840     1.429 -25.815 -48.659  -99.200  -91.000
       HIS 99     0.900    11.570 -29.311 -45.747  -99.200  -91.000
       HIS 102     0.900     9.741 -35.277 -46.708  -99.200  -91.000
       HIS 113     0.900     6.727 -48.904 -36.752  -99.200  -91.000
       HIS 120     0.900    -1.153 -46.614 -27.861  -99.200  -91.000
       PHE 123     1.000    -1.326 -41.578 -30.491  -99.200  -91.000
       PHE 125     1.000     8.315 -36.509 -27.249  -99.200  -91.000
       TRP 128     1.040     5.911 -32.367 -28.225  -99.200  -91.000
      TRP6 128     1.020     7.342 -31.189 -29.706  -99.200  -91.000
       TYR 129     0.840     7.732 -33.283 -34.432  -99.200  -91.000
       HIS 134     0.900    -3.173 -28.565 -38.963  -99.200  -91.000
       PHE 140     1.000     6.771 -21.940 -43.732  -99.200  -91.000
       HIS 155     0.900     3.802  -0.203 -55.306  -99.200  -91.000
       TYR 158     0.840     7.240  -1.812 -48.972  -99.200  -91.000
       TYR 163     0.840     0.252 -11.051 -44.718  -99.200  -91.000