=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 33 rings
        ring        int.           center             anis.    iso.
       HIS 14     0.900    74.247  75.243 -16.529  -99.200  -91.000
       TYR 24     0.840    78.549  67.597 -18.421  -99.200  -91.000
       HIS 39     0.900    73.404  50.398  -8.416  -99.200  -91.000
       HIS 49     0.900    75.883  76.586   1.221  -99.200  -91.000
       TYR 50     0.840    79.844  73.487  -3.517  -99.200  -91.000
       TRP 51     1.040    69.600  73.905  -6.371  -99.200  -91.000
      TRP6 51     1.020    67.974  73.144  -4.835  -99.200  -91.000
       TYR 53     0.840    72.767  79.711   0.442  -99.200  -91.000
       PHE 59     1.000    86.723  74.469  -0.969  -99.200  -91.000
       HIS 69     0.900    80.054  64.724  -1.805  -99.200  -91.000
       HIS 84     0.900    93.311  48.521  -8.307  -99.200  -91.000
       PHE 104     1.000   100.514  69.036   3.209  -99.200  -91.000
       TYR 110     0.840    94.351  59.982   1.019  -99.200  -91.000
       PHE 117     1.000    88.469  65.031  -9.466  -99.200  -91.000
       PHE 118     1.000    85.858  65.597  -1.916  -99.200  -91.000
       PHE 131     1.000    78.025  54.969 -19.218  -99.200  -91.000
       TYR 132     0.840    83.696  60.394 -11.514  -99.200  -91.000
       HIS 134     0.900    87.706  59.097  -8.467  -99.200  -91.000
       PHE 138     1.000    92.933  57.871  -3.811  -99.200  -91.000
       TYR 140     0.840    89.537  52.374  -1.919  -99.200  -91.000
       PHE 148     1.000    76.171  48.158  -7.444  -99.200  -91.000
       HIS 162     0.900    90.098  62.624   8.960  -99.200  -91.000
       HIS 173     0.900    87.919  57.585  25.031  -99.200  -91.000
       TYR 261     0.840    82.335  77.110  28.900  -99.200  -91.000
       HIS 285     0.900    86.626  75.818  30.928  -99.200  -91.000
       PHE 297     1.000    89.365  69.867   3.297  -99.200  -91.000
       TYR 299     0.840    86.363  61.483   3.022  -99.200  -91.000
       TRP 303     1.040    85.876  54.728   0.088  -99.200  -91.000
      TRP6 303     1.020    85.808  56.943   0.929  -99.200  -91.000
       HIS 323     0.900    62.881  60.522   2.089  -99.200  -91.000
       PHE 325     1.000    63.366  61.245  -4.407  -99.200  -91.000
       PHE 334     1.000    70.339  68.170  -5.418  -99.200  -91.000
       PHE 337     1.000    69.942  67.861   2.151  -99.200  -91.000