=============================================================================
          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  1     0.900     2.509  49.008  29.877  -99.200  -91.000
       HIS  2     0.900     6.647  56.105  33.247  -99.200  -91.000
       HIS  3     0.900     1.422  51.475  34.587  -99.200  -91.000
       HIS  4     0.900    -0.341  60.007  33.606  -99.200  -91.000
       HIS  5     0.900    -1.295  60.270  41.637  -99.200  -91.000
       TYR  9     0.840    12.125  62.753  36.020  -99.200  -91.000
       PHE 10     1.000    11.270  57.251  31.995  -99.200  -91.000
       TYR 21     0.840    -1.260  48.657  38.012  -99.200  -91.000
       TYR 22     0.840     3.936  45.877  42.065  -99.200  -91.000
       TRP 33     1.040    20.402  55.690  48.356  -99.200  -91.000
      TRP6 33     1.020    18.729  54.019  48.559  -99.200  -91.000
       TYR 56     0.840    13.691  65.576  47.550  -99.200  -91.000
       PHE 57     1.000    20.196  61.179  45.254  -99.200  -91.000
       PHE 64     1.000    16.408  58.445  37.663  -99.200  -91.000
       HIS 76     0.900    21.890  37.153  31.692  -99.200  -91.000
       TYR 83     0.840    10.240  42.047  37.724  -99.200  -91.000
       PHE 86     1.000     3.546  51.541  38.960  -99.200  -91.000
       TYR 93     0.840     6.400  55.281  44.548  -99.200  -91.000
       PHE 105     1.000    33.373  45.683  50.033  -99.200  -91.000
       HIS 110     0.900    31.487  35.643  56.226  -99.200  -91.000
       PHE 114     1.000    34.608  34.461  47.520  -99.200  -91.000
       TYR 132     0.840    20.662  40.427  28.071  -99.200  -91.000
       HIS 134     0.900    30.644  44.067  27.034  -99.200  -91.000
       HIS 140     0.900    28.101  47.966  35.768  -99.200  -91.000
       PHE 148     1.000    29.015  41.771  39.539  -99.200  -91.000
       PHE 150     1.000    26.313  36.027  46.333  -99.200  -91.000
       PHE 164     1.000    23.044  47.660  34.582  -99.200  -91.000
       PHE 170     1.000    29.204  48.545  23.245  -99.200  -91.000
       TYR 184     0.840    42.751  48.737  44.924  -99.200  -91.000
       TYR 185     0.840    37.576  45.965  41.317  -99.200  -91.000
       TYR 195     0.840    36.144  53.933  27.930  -99.200  -91.000
       TRP 202     1.040    41.852  45.862  33.438  -99.200  -91.000
      TRP6 202     1.020    43.996  45.381  32.594  -99.200  -91.000
       TYR 209     0.840    45.871  38.760  40.856  -99.200  -91.000
       TYR 215     0.840    47.605  39.332  46.862  -99.200  -91.000
       PHE 218     1.000    47.388  45.783  37.001  -99.200  -91.000
       PHE 234     1.000    48.530  40.227  35.476  -99.200  -91.000
       PHE 236     1.000    48.450  35.070  37.504  -99.200  -91.000
       TRP 241     1.040    48.147  34.210  42.812  -99.200  -91.000
      TRP6 241     1.020    46.160  34.099  41.550  -99.200  -91.000
       HIS 272     0.900    40.282  29.321  30.411  -99.200  -91.000
       TRP 274     1.040    38.920  28.266  36.966  -99.200  -91.000
      TRP6 274     1.020    37.542  30.065  37.619  -99.200  -91.000
       PHE 275     1.000    34.059  30.129  33.757  -99.200  -91.000