=============================================================================
          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  4     1.000    11.781  52.437  13.943  -99.200  -91.000
       TYR 15     0.840    11.455  40.301   1.535  -99.200  -91.000
       TYR 19     0.840     3.734  43.577  12.581  -99.200  -91.000
       HIS 60     0.900    10.863  59.097  -9.708  -99.200  -91.000
       HIS 71     0.900    22.115  42.108   8.649  -99.200  -91.000
       TYR 77     0.840    12.693  44.068  12.882  -99.200  -91.000
       PHE 80     1.000    10.293  49.044   2.466  -99.200  -91.000
       PHE 82     1.000     1.177  54.351   6.886  -99.200  -91.000
       HIS 84     0.900    -5.266  55.602   3.695  -99.200  -91.000
       PHE 90     1.000    -8.647  55.396  -4.765  -99.200  -91.000
       TYR 107     0.840    -3.642  57.512  -8.111  -99.200  -91.000
       PHE 109     1.000     3.050  63.039 -16.149  -99.200  -91.000
       PHE 117     1.000    15.342  57.513 -10.736  -99.200  -91.000
       HIS 119     0.900    11.507  49.911 -17.365  -99.200  -91.000
       HIS 121     0.900    18.693  55.511 -12.314  -99.200  -91.000
       HIS 125     0.900     7.807  45.993  -9.452  -99.200  -91.000
       PHE 146     1.000    11.160  48.572  -6.817  -99.200  -91.000
       PHE 152     1.000    17.106  46.663 -17.648  -99.200  -91.000
       TYR 159     0.840    12.572  34.085 -12.490  -99.200  -91.000
       HIS 161     0.900     8.569  24.606 -13.966  -99.200  -91.000
       TRP 167     1.040    -5.800  37.385 -13.272  -99.200  -91.000
      TRP6 167     1.020    -7.410  38.386 -11.855  -99.200  -91.000
       TYR 168     0.840    -2.477  42.773 -13.046  -99.200  -91.000
       TYR 179     0.840    18.248  36.281 -22.840  -99.200  -91.000
       TYR 180     0.840    11.252  37.919 -16.984  -99.200  -91.000
       TRP 187     1.040     0.799  42.686 -21.127  -99.200  -91.000
      TRP6 187     1.020    -0.029  42.591 -23.307  -99.200  -91.000
       PHE 193     1.000    -4.687  54.124 -19.544  -99.200  -91.000
       PHE 203     1.000    -5.686  41.302 -21.838  -99.200  -91.000
       PHE 213     1.000    -6.252  29.589 -26.371  -99.200  -91.000
       PHE 216     1.000    -3.157  34.384 -28.555  -99.200  -91.000
       TRP 227     1.040     5.736  39.154 -31.488  -99.200  -91.000
      TRP6 227     1.020     4.661  38.189 -29.636  -99.200  -91.000
       TYR 236     0.840     2.001  30.443 -33.134  -99.200  -91.000
       PHE 240     1.000    -1.382  29.262 -29.580  -99.200  -91.000
       TRP 243     1.040   -11.105  34.118 -30.558  -99.200  -91.000
      TRP6 243     1.020    -9.784  32.772 -29.150  -99.200  -91.000
       PHE 248     1.000    -7.122  48.913 -27.502  -99.200  -91.000
       HIS 268     0.900     2.939  46.713 -31.429  -99.200  -91.000
       TYR 269     0.840    -0.877  40.259 -29.543  -99.200  -91.000
       HIS 283     0.900    -0.419  59.060 -26.359  -99.200  -91.000
       PHE 285     1.000    -4.859  59.481 -20.961  -99.200  -91.000
       PHE 286     1.000     0.204  60.280 -19.513  -99.200  -91.000
       HIS 295     0.900   -14.468  60.359  -0.397  -99.200  -91.000