=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 21 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    20.975 -65.112 -24.067  -99.200  -91.000
       PHE  2     1.000    19.952 -52.232 -21.227  -99.200  -91.000
       TYR  9     0.840    29.044 -45.530 -15.548  -99.200  -91.000
       TYR 16     0.840    21.009 -41.419   1.876  -99.200  -91.000
       HIS 22     0.900    22.888 -47.063   7.778  -99.200  -91.000
       PHE 23     1.000    26.312 -41.148   2.270  -99.200  -91.000
       HIS 42     0.900    38.156 -46.927   4.503  -99.200  -91.000
       TYR 56     0.840    34.172 -54.294 -14.004  -99.200  -91.000
       TYR 65     0.840    37.893 -54.103  -9.201  -99.200  -91.000
       TYR 75     0.840    33.876 -61.415  -2.205  -99.200  -91.000
       PHE 86     1.000    27.406 -56.090  -7.860  -99.200  -91.000
       HIS 94     0.900    14.710 -40.163  -7.343  -99.200  -91.000
       TYR 95     0.840    14.353 -44.010  -4.545  -99.200  -91.000
       TYR 98     0.840    24.276 -49.674  -8.441  -99.200  -91.000
       HIS 103     0.900    25.041 -65.462  -7.856  -99.200  -91.000
       TRP 108     1.040    20.235 -64.009  -4.892  -99.200  -91.000
      TRP6 108     1.020    22.061 -65.483  -4.573  -99.200  -91.000
       PHE 109     1.000    17.067 -56.542  -6.965  -99.200  -91.000
       HIS 125     0.900    11.442 -58.834  -1.841  -99.200  -91.000
       TYR 126     0.840    13.069 -56.141  -9.855  -99.200  -91.000
       PHE 133     1.000    22.424 -48.921  -2.429  -99.200  -91.000