=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 18 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    21.578 -11.479 -20.759  -99.200  -91.000
       PHE  3     1.000    15.202  -6.170 -18.520  -99.200  -91.000
       PHE 14     1.000    18.449 -15.927   5.718  -99.200  -91.000
       TRP 19     1.040    12.400 -10.401  19.890  -99.200  -91.000
      TRP6 19     1.020    10.416  -9.157  19.554  -99.200  -91.000
       PHE 24     1.000    30.393  -9.242  24.312  -99.200  -91.000
       HIS 34     0.900    35.992 -12.921   9.027  -99.200  -91.000
       TYR 36     0.840    31.521  -7.252   9.780  -99.200  -91.000
       PHE 60     1.000    25.869  -0.444  21.714  -99.200  -91.000
       TYR 87     0.840    11.427  -5.143  -5.831  -99.200  -91.000
       TYR 95     0.840    13.996  -1.319  -0.166  -99.200  -91.000
       TYR 125     0.840    25.231 -10.137 -11.456  -99.200  -91.000
       HIS 138     0.900    25.375   2.793   4.397  -99.200  -91.000
       TYR 143     0.840    14.744   1.216   7.025  -99.200  -91.000
       HIS 145     0.900    15.083   2.411  12.590  -99.200  -91.000
       TYR 159     0.840    19.956  12.815  20.635  -99.200  -91.000
       PHE 168     1.000    16.366   5.882  18.248  -99.200  -91.000
       TYR 177     0.840     6.308   2.282  19.586  -99.200  -91.000