=============================================================================
          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    32.079  -7.037  -5.618  -99.200  -91.000
       HIS  2     0.900    37.215 -13.688  -3.522  -99.200  -91.000
       HIS  3     0.900    34.074 -11.682  -0.899  -99.200  -91.000
       HIS  4     0.900    27.596  -8.822  -4.879  -99.200  -91.000
       TYR 14     0.840    11.364   0.429  31.064  -99.200  -91.000
       PHE 17     1.000    16.765  -0.374  28.347  -99.200  -91.000
       PHE 31     1.000    20.608   4.524  24.999  -99.200  -91.000
       TRP 32     1.040    18.971   6.924  16.922  -99.200  -91.000
      TRP6 32     1.020    17.989   8.135  15.156  -99.200  -91.000
       TRP 35     1.040    17.579  16.380  18.375  -99.200  -91.000
      TRP6 35     1.020    19.370  16.442  19.912  -99.200  -91.000
       PHE 46     1.000    25.672   0.603  17.099  -99.200  -91.000
       PHE 60     1.000    26.965  -4.274  17.001  -99.200  -91.000
       TYR 61     0.840    19.074  -5.080  20.194  -99.200  -91.000
       PHE 83     1.000    27.827   4.631  19.726  -99.200  -91.000
       PHE 85     1.000    29.628  -1.762  24.412  -99.200  -91.000
       PHE 86     1.000    22.169  -1.186  28.683  -99.200  -91.000
       HIS 110     0.900    32.229  -4.760  27.078  -99.200  -91.000