=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 22 rings
        ring        int.           center             anis.    iso.
       HIS  2     0.900    19.519  11.651  48.410  -99.200  -91.000
       HIS  3     0.900    23.779  13.883  52.049  -99.200  -91.000
       HIS  4     0.900    23.593  21.802  50.685  -99.200  -91.000
       HIS  5     0.900    31.325  15.803  51.555  -99.200  -91.000
       HIS  6     0.900    31.851  19.374  54.206  -99.200  -91.000
       HIS  7     0.900    24.539  15.361  56.655  -99.200  -91.000
       PHE  8     1.000    24.742  11.972  60.164  -99.200  -91.000
       TYR  9     0.840    19.014  18.503  61.825  -99.200  -91.000
       TYR 14     0.840    10.807  10.628  74.956  -99.200  -91.000
       TYR 24     0.840     8.363  14.782  79.496  -99.200  -91.000
       HIS 39     0.900    26.351  14.952  80.302  -99.200  -91.000
       TYR 46     0.840    11.792  18.554  75.176  -99.200  -91.000
       PHE 47     1.000     8.937  21.417  68.164  -99.200  -91.000
       PHE 48     1.000     2.857  21.772  74.779  -99.200  -91.000
       HIS 59     0.900    13.532  14.757  73.448  -99.200  -91.000
       TRP 61     1.040    18.005  16.138  71.648  -99.200  -91.000
      TRP6 61     1.020    18.980  17.586  73.245  -99.200  -91.000
       PHE 63     1.000    23.200  14.118  68.685  -99.200  -91.000
       TRP 81     1.040    19.888  11.710  81.829  -99.200  -91.000
      TRP6 81     1.020    18.376  13.461  81.369  -99.200  -91.000
       PHE 84     1.000    14.861  15.032  84.617  -99.200  -91.000
       PHE 104     1.000    14.129  20.908  49.693  -99.200  -91.000