=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 35 rings
        ring        int.           center             anis.    iso.
       HIS 23     0.900    16.415 139.986  73.367  -99.200  -91.000
       HIS 27     0.900    11.355 136.029  65.117  -99.200  -91.000
       PHE 30     1.000     4.852 138.426  77.004  -99.200  -91.000
       TYR 32     0.840     6.010 132.217  86.308  -99.200  -91.000
       PHE 47     1.000    18.236 137.477  77.335  -99.200  -91.000
       HIS 83     0.900   -10.962 126.793  80.651  -99.200  -91.000
       HIS 85     0.900    -5.519 134.479  86.014  -99.200  -91.000
       PHE 91     1.000    -3.351 125.751  75.434  -99.200  -91.000
       TYR 102     0.840    -5.625 116.252  71.695  -99.200  -91.000
       HIS 111     0.900   -12.845 123.513  69.056  -99.200  -91.000
       TYR 113     0.840    -2.169 121.085  73.200  -99.200  -91.000
       HIS 117     0.900     9.335 115.628  72.343  -99.200  -91.000
       TRP 125     1.040    18.402 133.057  83.188  -99.200  -91.000
      TRP6 125     1.020    17.245 133.262  81.138  -99.200  -91.000
       PHE 132     1.000    15.198 125.101  71.431  -99.200  -91.000
       TRP 137     1.040     9.221 122.563  68.495  -99.200  -91.000
      TRP6 137     1.020    10.435 124.118  69.795  -99.200  -91.000
       PHE 141     1.000    -0.790 115.683  61.792  -99.200  -91.000
       PHE 145     1.000    -6.063 113.930  59.569  -99.200  -91.000
       TRP 154     1.040    -5.998 123.911  66.227  -99.200  -91.000
      TRP6 154     1.020    -4.766 122.778  64.560  -99.200  -91.000
       TRP 158     1.040    -0.201 122.975  62.892  -99.200  -91.000
      TRP6 158     1.020     0.839 123.223  60.791  -99.200  -91.000
       HIS 179     0.900     5.706 112.536  70.598  -99.200  -91.000
       HIS 188     0.900     9.159 108.222  76.455  -99.200  -91.000
       HIS 191     0.900    15.747 108.953  78.938  -99.200  -91.000
       TYR 216     0.840    28.747 101.051  82.476  -99.200  -91.000
       HIS 252     0.900    13.586  86.505  77.662  -99.200  -91.000
       TYR 273     0.840    27.417  96.891  60.388  -99.200  -91.000
       TYR 279     0.840    20.226 107.356  64.305  -99.200  -91.000
       HIS 289     0.900    -1.122 128.449  51.328  -99.200  -91.000
       TRP 295     1.040    -4.440 122.046  55.047  -99.200  -91.000
      TRP6 295     1.020    -3.142 122.210  57.005  -99.200  -91.000
       HIS 301     0.900     3.367 111.265  51.646  -99.200  -91.000
       PHE 312     1.000     4.002 126.675  49.739  -99.200  -91.000