=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 16 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900   -12.699   6.420 -15.243  -99.200  -91.000
       TYR  5     0.840    -4.716   3.095 -13.094  -99.200  -91.000
       PHE 12     1.000    -3.602   4.272   2.451  -99.200  -91.000
       PHE 14     1.000    -8.181  14.099  -1.288  -99.200  -91.000
       TYR 15     0.840    -7.494   6.323   6.533  -99.200  -91.000
       TYR 25     0.840    -5.854  22.737  11.570  -99.200  -91.000
       TYR 28     0.840    -0.658  23.353  17.418  -99.200  -91.000
       TYR 32     0.840    -6.966  28.476  22.138  -99.200  -91.000
       TYR 36     0.840   -10.555  20.370  11.202  -99.200  -91.000
       TYR 39     0.840    -9.471  26.286  13.207  -99.200  -91.000
       PHE 61     1.000   -18.017  23.295   0.371  -99.200  -91.000
       TYR 79     0.840   -15.594  30.680  22.080  -99.200  -91.000
       PHE 108     1.000     2.707  26.075   5.068  -99.200  -91.000
       PHE 111     1.000     1.255  18.077   8.879  -99.200  -91.000
       PHE 128     1.000   -11.298  16.518  -4.975  -99.200  -91.000
       PHE 133     1.000   -16.743  20.465  -4.271  -99.200  -91.000