=============================================================================
          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  2     0.900    26.029  45.378  29.389  -99.200  -91.000
       HIS  4     0.900    32.978  44.714  29.620  -99.200  -91.000
       HIS 20     0.900    42.552  33.180   6.997  -99.200  -91.000
       PHE 57     1.000    70.851  12.184  12.314  -99.200  -91.000
       TYR 58     0.840    62.165  10.897  13.657  -99.200  -91.000
       PHE 79     1.000    58.232  17.736  24.812  -99.200  -91.000
       HIS 80     0.900    60.250  24.057  26.860  -99.200  -91.000
       TYR 84     0.840    63.279  27.117  24.044  -99.200  -91.000
       PHE 93     1.000    66.153  21.040  15.190  -99.200  -91.000
       TYR 137     0.840    56.525  27.493  24.856  -99.200  -91.000
       PHE 144     1.000    51.157  25.801  14.662  -99.200  -91.000
       TRP 147     1.040    44.593  21.624  26.041  -99.200  -91.000
      TRP6 147     1.020    45.501  22.711  27.937  -99.200  -91.000
       HIS 156     0.900    27.445   3.022  31.527  -99.200  -91.000
       TYR 173     0.840    45.023  25.550  23.647  -99.200  -91.000
       HIS 196     0.900    33.094   3.693  18.049  -99.200  -91.000
       TYR 203     0.840    23.885  11.071  19.220  -99.200  -91.000
       TYR 213     0.840    33.776  25.208  16.985  -99.200  -91.000
       HIS 219     0.900    35.711  29.853  28.783  -99.200  -91.000
       HIS 220     0.900    33.557  36.733  26.536  -99.200  -91.000
       TYR 222     0.840    39.442  36.924  15.358  -99.200  -91.000
       HIS 237     0.900    41.963  -0.179  15.223  -99.200  -91.000
       TYR 243     0.840    30.369   1.913   8.189  -99.200  -91.000
       HIS 245     0.900    39.086   4.544   1.671  -99.200  -91.000
       PHE 269     1.000    39.348  16.398   8.791  -99.200  -91.000
       TRP 295     1.040    34.456  25.174   8.228  -99.200  -91.000
      TRP6 295     1.020    33.523  23.132   7.483  -99.200  -91.000
       PHE 299     1.000    49.046  17.641   5.430  -99.200  -91.000
       TYR 301     0.840    47.158  13.236   8.238  -99.200  -91.000
       TRP 313     1.040    67.527   7.795  11.412  -99.200  -91.000
      TRP6 313     1.020    66.742   8.194  13.605  -99.200  -91.000
       TYR 327     0.840    58.516  15.246   6.163  -99.200  -91.000
       TYR 342     0.840    47.393  10.178  -2.577  -99.200  -91.000
       HIS 348     0.900    18.423  14.368   2.125  -99.200  -91.000
       TYR 350     0.840    26.337   9.265   5.280  -99.200  -91.000