=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 45 rings
        ring        int.           center             anis.    iso.
       TRP  6     1.040    15.891  48.187 131.867  -99.200  -91.000
      TRP6  6     1.020    17.709  48.953 133.174  -99.200  -91.000
       TYR  8     0.840    15.274  50.461 128.099  -99.200  -91.000
       HIS 13     0.900     7.891  59.947 142.474  -99.200  -91.000
       HIS 31     0.900    -0.120  63.748 150.081  -99.200  -91.000
       TYR 38     0.840    12.851  54.749 144.796  -99.200  -91.000
       PHE 43     1.000    17.953  63.359 141.802  -99.200  -91.000
       PHE 57     1.000     9.572  61.759 148.301  -99.200  -91.000
       PHE 60     1.000     0.839  59.051 151.474  -99.200  -91.000
       HIS 64     0.900    -0.219  59.737 162.259  -99.200  -91.000
       HIS 81     0.900     7.880  80.036 153.248  -99.200  -91.000
       TYR 84     0.840    15.721  73.121 153.678  -99.200  -91.000
       TYR 125     0.840    -0.863  54.377 139.063  -99.200  -91.000
       TYR 131     0.840     3.891  64.577 130.673  -99.200  -91.000
       PHE 137     1.000    12.759  74.404 131.976  -99.200  -91.000
       PHE 166     1.000    25.379  59.726 128.356  -99.200  -91.000
       HIS 168     0.900    21.005  66.592 130.693  -99.200  -91.000
       HIS 206     0.900    18.773  89.517 121.190  -99.200  -91.000
       PHE 207     1.000    19.687  81.928 119.989  -99.200  -91.000
       TYR 212     0.840    20.516  67.575 127.035  -99.200  -91.000
       HIS 222     0.900     4.743  79.579 128.507  -99.200  -91.000
       PHE 231     1.000    11.323  75.198 119.900  -99.200  -91.000
       PHE 245     1.000    23.523  74.895 118.400  -99.200  -91.000
       TRP 268     1.040    44.660  63.008 111.274  -99.200  -91.000
      TRP6 268     1.020    45.087  62.369 109.033  -99.200  -91.000
       TRP 269     1.040    42.202  60.068 116.732  -99.200  -91.000
      TRP6 269     1.020    43.738  61.882 116.728  -99.200  -91.000
       TYR 277     0.840    39.367  48.793 112.991  -99.200  -91.000
       PHE 284     1.000    19.473  47.195 117.785  -99.200  -91.000
       PHE 286     1.000    16.003  50.813 122.733  -99.200  -91.000
       HIS 291     0.900    21.531  61.828 124.382  -99.200  -91.000
       PHE 305     1.000    31.022  52.331 113.759  -99.200  -91.000
       TYR 313     0.840    14.849  55.333 127.084  -99.200  -91.000
       TYR 328     0.840    20.535  56.742 109.345  -99.200  -91.000
       TYR 338     0.840    14.660  43.020 129.970  -99.200  -91.000
       HIS 378     0.900    24.646  50.572 136.461  -99.200  -91.000
       PHE 382     1.000    25.081  61.110 135.788  -99.200  -91.000
       TYR 386     0.840    34.687  69.486 128.875  -99.200  -91.000
       PHE 392     1.000    33.364  72.171 116.090  -99.200  -91.000
       PHE 399     1.000    37.410  57.921 115.804  -99.200  -91.000
       TRP 402     1.040    30.135  56.112 120.045  -99.200  -91.000
      TRP6 402     1.020    28.852  56.889 118.216  -99.200  -91.000
       HIS 404     0.900    37.933  50.839 125.656  -99.200  -91.000
       HIS 413     0.900    43.933  42.932 108.758  -99.200  -91.000
       PHE 418     1.000    49.173  34.794 111.053  -99.200  -91.000