=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 41 rings
        ring        int.           center             anis.    iso.
       PHE  2     1.000    23.671  73.654  30.362  -99.200  -91.000
       TYR  9     0.840    24.387  56.688  43.334  -99.200  -91.000
       HIS 17     0.900    17.942  46.502  46.004  -99.200  -91.000
       TYR 25     0.840    25.560  49.244  27.931  -99.200  -91.000
       HIS 26     0.900    19.029  55.198  32.938  -99.200  -91.000
       TYR 27     0.840    26.896  59.150  35.131  -99.200  -91.000
       HIS 30     0.900    20.319  54.943  26.937  -99.200  -91.000
       HIS 31     0.900    22.507  62.251  33.103  -99.200  -91.000
       TYR 34     0.840    18.630  61.919  26.662  -99.200  -91.000
       PHE 47     1.000    16.684  78.143  23.581  -99.200  -91.000
       PHE 64     1.000    10.613  70.046  27.127  -99.200  -91.000
       TRP 71     1.040    16.583  69.876  36.351  -99.200  -91.000
      TRP6 71     1.020    14.812  68.802  37.506  -99.200  -91.000
       HIS 73     0.900    17.678  60.423  32.183  -99.200  -91.000
       PHE 75     1.000    14.100  65.552  41.232  -99.200  -91.000
       TYR 76     0.840    16.498  57.005  37.731  -99.200  -91.000
       TRP 77     1.040    21.902  59.379  37.137  -99.200  -91.000
      TRP6 77     1.020    21.420  57.103  36.808  -99.200  -91.000
       PHE 100     1.000     0.076  60.735  47.844  -99.200  -91.000
       PHE 103     1.000     6.411  54.514  52.256  -99.200  -91.000
       PHE 106     1.000     4.478  58.016  47.661  -99.200  -91.000
       PHE 110     1.000     6.501  57.155  42.435  -99.200  -91.000
       PHE 118     1.000     1.171  52.130  25.449  -99.200  -91.000
       TRP 122     1.040    11.297  60.962  32.650  -99.200  -91.000
      TRP6 122     1.020    13.283  60.463  33.804  -99.200  -91.000
       TRP 124     1.040     7.840  63.426  36.865  -99.200  -91.000
      TRP6 124     1.020    10.018  64.266  37.096  -99.200  -91.000
       TRP 158     1.040    12.369  57.576  28.634  -99.200  -91.000
      TRP6 158     1.020    13.101  58.040  26.439  -99.200  -91.000
       HIS 160     0.900    16.699  54.668  28.813  -99.200  -91.000
       TYR 162     0.840    11.627  48.721  32.603  -99.200  -91.000
       TYR 163     0.840    13.638  44.723  27.740  -99.200  -91.000
       TYR 166     0.840    14.737  44.622  38.016  -99.200  -91.000
       TYR 173     0.840    13.031  50.632  37.182  -99.200  -91.000
       HIS 176     0.900    14.752  44.229  43.350  -99.200  -91.000
       PHE 177     1.000    11.789  54.617  42.785  -99.200  -91.000
       TRP 178     1.040     8.484  51.399  45.932  -99.200  -91.000
      TRP6 178     1.020     8.022  53.688  46.251  -99.200  -91.000
       TRP 183     1.040    12.580  57.474  51.961  -99.200  -91.000
      TRP6 183     1.020    10.698  58.123  50.672  -99.200  -91.000
       PHE 185     1.000    17.353  65.091  45.149  -99.200  -91.000