=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 44 rings
        ring        int.           center             anis.    iso.
       HIS  8     0.900    28.271  -7.728  41.805  -99.200  -91.000
       TYR 13     0.840    34.701 -12.921  34.176  -99.200  -91.000
       HIS 19     0.900    30.833  -9.398  22.086  -99.200  -91.000
       PHE 39     1.000    43.142  -6.139  19.191  -99.200  -91.000
       TYR 45     0.840    35.315  -5.344  37.437  -99.200  -91.000
       PHE 51     1.000    40.138  -6.669  46.455  -99.200  -91.000
       PHE 60     1.000    45.051 -20.175  45.809  -99.200  -91.000
       TRP 61     1.040    42.464 -12.822  49.683  -99.200  -91.000
      TRP6 61     1.020    42.998 -10.822  48.547  -99.200  -91.000
       TRP 70     1.040    58.159 -14.847  44.457  -99.200  -91.000
      TRP6 70     1.020    57.952 -15.131  42.105  -99.200  -91.000
       PHE 71     1.000    54.934 -10.972  39.553  -99.200  -91.000
       TRP 84     1.040    48.871 -22.322  43.090  -99.200  -91.000
      TRP6 84     1.020    47.798 -20.643  41.799  -99.200  -91.000
       PHE 92     1.000    60.906 -18.511  32.574  -99.200  -91.000
       PHE 98     1.000    72.047 -30.469  35.337  -99.200  -91.000
       TYR 110     0.840    57.530 -14.756  36.267  -99.200  -91.000
       PHE 112     1.000    66.485  -8.278  38.097  -99.200  -91.000
       TRP 114     1.040    55.830  -5.020  38.433  -99.200  -91.000
      TRP6 114     1.020    54.160  -5.595  40.009  -99.200  -91.000
       HIS 116     0.900    65.966  -5.004  42.151  -99.200  -91.000
       PHE 117     1.000    63.374  -2.503  31.879  -99.200  -91.000
       TYR 121     0.840    69.366 -12.864  37.791  -99.200  -91.000
       TYR 128     0.840    70.055  -8.691  41.517  -99.200  -91.000
       TRP 157     1.040    58.836  -6.396  29.111  -99.200  -91.000
      TRP6 157     1.020    58.969  -4.515  30.524  -99.200  -91.000
       HIS 171     0.900    50.489 -10.433  29.727  -99.200  -91.000
       PHE 176     1.000    49.004   2.196  39.969  -99.200  -91.000
       TYR 177     0.840    42.491  10.156  36.766  -99.200  -91.000
       TYR 188     0.840    46.411  -2.674  26.099  -99.200  -91.000
       PHE 200     1.000    46.103 -15.043  40.524  -99.200  -91.000
       TYR 205     0.840    48.189  -5.445  37.681  -99.200  -91.000
       TYR 210     0.840    41.061  -1.657  48.444  -99.200  -91.000
       HIS 214     0.900    47.534   1.376  54.707  -99.200  -91.000
       PHE 223     1.000    41.799  -3.519  37.644  -99.200  -91.000
       HIS 225     0.900    41.591  -6.949  33.279  -99.200  -91.000
       HIS 231     0.900    43.247 -15.454  25.281  -99.200  -91.000
       TYR 233     0.840    43.689 -20.852  26.230  -99.200  -91.000
       HIS 236     0.900    39.812 -22.446  30.361  -99.200  -91.000
       PHE 251     1.000    32.636  -7.274  42.899  -99.200  -91.000
       PHE 266     1.000    50.945  -2.615  52.426  -99.200  -91.000
       PHE 271     1.000    47.397  -6.699  52.422  -99.200  -91.000
       TYR 276     0.840    35.120 -14.288  47.841  -99.200  -91.000
       HIS 279     0.900    26.653 -18.437  42.836  -99.200  -91.000