=============================================================================
          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    44.456  39.463  39.517  -99.200  -91.000
       PHE  2     1.000    41.215  39.737  36.859  -99.200  -91.000
       TYR  9     0.840    29.987  44.211  33.027  -99.200  -91.000
       TYR 16     0.840    18.488  28.914  33.629  -99.200  -91.000
       HIS 22     0.900    13.912  28.311  41.271  -99.200  -91.000
       PHE 23     1.000    14.568  33.156  34.302  -99.200  -91.000
       HIS 42     0.900     9.317  43.377  41.133  -99.200  -91.000
       TYR 56     0.840    28.207  49.163  42.794  -99.200  -91.000
       TYR 65     0.840    23.133  49.992  43.664  -99.200  -91.000
       TYR 75     0.840    21.484  43.973  52.263  -99.200  -91.000
       PHE 86     1.000    27.439  40.435  45.229  -99.200  -91.000
       HIS 94     0.900    28.439  27.275  29.353  -99.200  -91.000
       TYR 95     0.840    27.310  26.573  34.087  -99.200  -91.000
       TYR 98     0.840    27.665  37.251  39.069  -99.200  -91.000
       HIS 103     0.900    31.312  38.969  54.466  -99.200  -91.000
       TRP 108     1.040    30.807  33.667  53.396  -99.200  -91.000
      TRP6 108     1.020    29.826  35.209  54.880  -99.200  -91.000
       PHE 109     1.000    31.563  30.838  45.194  -99.200  -91.000
       HIS 125     0.900    30.376  23.587  48.877  -99.200  -91.000
       TYR 126     0.840    35.570  28.503  43.735  -99.200  -91.000
       PHE 133     1.000    23.283  32.697  39.843  -99.200  -91.000