=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 36 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900   -42.258 -29.168  -6.966  -99.200  -91.000
       TRP  3     1.040   -35.925 -24.815  -6.545  -99.200  -91.000
      TRP6  3     1.020   -33.845 -25.915  -6.330  -99.200  -91.000
       HIS  5     0.900   -35.240 -19.224  -7.899  -99.200  -91.000
       TYR 15     0.840   -29.962 -23.113   1.084  -99.200  -91.000
       PHE 19     1.000   -30.985 -35.728   0.657  -99.200  -91.000
       PHE 28     1.000   -21.179 -35.745   8.947  -99.200  -91.000
       TYR 37     0.840   -12.527 -36.681   2.383  -99.200  -91.000
       PHE 38     1.000    -7.496 -37.320  -4.728  -99.200  -91.000
       PHE 48     1.000    -0.901 -13.866  -5.582  -99.200  -91.000
       TRP 51     1.040     4.731 -25.742  -5.136  -99.200  -91.000
      TRP6 51     1.020     3.230 -27.040  -6.418  -99.200  -91.000
       HIS 52     0.900     0.670 -21.920   0.869  -99.200  -91.000
       TYR 61     0.840   -15.067 -41.018  -4.436  -99.200  -91.000
       TYR 68     0.840   -11.891 -30.144 -10.241  -99.200  -91.000
       PHE 70     1.000    -7.869 -27.486  -7.110  -99.200  -91.000
       TRP 80     1.040   -19.681 -41.958 -10.604  -99.200  -91.000
      TRP6 80     1.020   -20.391 -39.969  -9.548  -99.200  -91.000
       HIS 90     0.900   -33.532 -36.463  -3.782  -99.200  -91.000
       PHE 99     1.000   -25.398 -32.282 -11.641  -99.200  -91.000
       PHE 101     1.000   -14.639 -34.348 -11.070  -99.200  -91.000
       TYR 107     0.840   -14.578 -26.906   3.525  -99.200  -91.000
       HIS 113     0.900    -8.780 -21.595   5.599  -99.200  -91.000
       HIS 117     0.900   -12.696 -21.672  -5.565  -99.200  -91.000
       PHE 135     1.000   -25.477 -34.606   2.730  -99.200  -91.000
       PHE 141     1.000   -20.794 -20.651  -1.631  -99.200  -91.000
       PHE 143     1.000   -22.463 -17.363  -4.875  -99.200  -91.000
       HIS 145     0.900   -19.423  -8.345 -10.324  -99.200  -91.000
       HIS 166     0.900   -27.032 -32.701   8.341  -99.200  -91.000
       HIS 174     0.900   -23.249 -19.134 -18.517  -99.200  -91.000
       HIS 179     0.900   -20.290 -12.210 -15.550  -99.200  -91.000
       TRP 180     1.040   -21.539 -12.691  -9.034  -99.200  -91.000
      TRP6 180     1.020   -21.955 -11.331  -7.143  -99.200  -91.000
       TYR 181     0.840   -12.691 -14.061  -8.293  -99.200  -91.000
       HIS 182     0.900   -17.364 -20.771  -5.405  -99.200  -91.000
       PHE 199     1.000   -23.134 -34.768  -6.533  -99.200  -91.000