=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 15 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900     3.899  -8.996  38.082  -99.200  -91.000
       HIS  2     0.900     8.365  -6.309  30.746  -99.200  -91.000
       PHE  8     1.000     4.526   1.222  23.211  -99.200  -91.000
       PHE 21     1.000     5.651   2.514  17.157  -99.200  -91.000
       TYR 24     0.840     5.586  14.235  20.586  -99.200  -91.000
       PHE 28     1.000    18.249  13.152  11.948  -99.200  -91.000
       PHE 39     1.000     1.800  13.528   1.789  -99.200  -91.000
       PHE 41     1.000    -1.455  10.866   6.929  -99.200  -91.000
       TYR 46     0.840     0.342  10.669  11.033  -99.200  -91.000
       PHE 54     1.000     7.934  -1.268  26.406  -99.200  -91.000
       TYR 63     0.840     9.267  -5.881  18.352  -99.200  -91.000
       PHE 64     1.000    10.773   0.859  18.030  -99.200  -91.000
       PHE 77     1.000     6.899  -0.286  12.392  -99.200  -91.000
       PHE 78     1.000     5.194   5.056   4.776  -99.200  -91.000
       TYR 86     0.840    14.611  13.588   8.568  -99.200  -91.000