=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 13 rings
        ring        int.           center             anis.    iso.
       HIS  2     0.900     8.945  28.341  -2.485  -99.200  -91.000
       TYR 21     0.840    24.758  17.523   9.601  -99.200  -91.000
       PHE 26     1.000    25.691  27.261   8.135  -99.200  -91.000
       TYR 32     0.840    31.320  31.763   5.532  -99.200  -91.000
       PHE 44     1.000    30.761  30.534  10.309  -99.200  -91.000
       HIS 49     0.900    22.933  47.615  10.302  -99.200  -91.000
       TYR 75     0.840    26.113  41.169   8.205  -99.200  -91.000
       PHE 82     1.000    22.005  34.626   6.426  -99.200  -91.000
       TRP 83     1.040    16.315  40.858   8.377  -99.200  -91.000
      TRP6 83     1.020    16.220  41.309  10.697  -99.200  -91.000
       TYR 98     0.840    26.554  15.552  20.598  -99.200  -91.000
       PHE 99     1.000    23.450  23.918  23.373  -99.200  -91.000
       TYR 112     0.840     6.469  40.617  -0.511  -99.200  -91.000