=============================================================================
          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.
       HIS  3     0.900    92.297  57.422  16.944  -99.200  -91.000
       HIS  6     0.900    92.871  61.640  25.650  -99.200  -91.000
       TYR 18     0.840    75.235  64.327  36.432  -99.200  -91.000
       TRP 25     1.040    65.032  63.678  30.474  -99.200  -91.000
      TRP6 25     1.020    64.495  62.123  28.779  -99.200  -91.000
       TYR 30     0.840    77.943  63.878  31.526  -99.200  -91.000
       PHE 40     1.000    86.060  63.725  15.701  -99.200  -91.000
       HIS 41     0.900    88.072  62.326  11.954  -99.200  -91.000
       TYR 47     0.840    84.204  75.456  23.832  -99.200  -91.000
       HIS 72     0.900    91.235  65.139  38.336  -99.200  -91.000
       HIS 78     0.900    84.056  69.377  44.456  -99.200  -91.000
       PHE 89     1.000    70.214  50.884  49.031  -99.200  -91.000
       TRP 93     1.040    65.688  42.455  36.485  -99.200  -91.000
      TRP6 93     1.020    63.322  42.485  36.476  -99.200  -91.000
       TRP 103     1.040    64.141  50.494  49.517  -99.200  -91.000
      TRP6 103     1.020    64.821  48.881  47.932  -99.200  -91.000
       TYR 104     0.840    71.394  57.847  50.817  -99.200  -91.000
       PHE 108     1.000    65.460  50.855  54.760  -99.200  -91.000
       HIS 130     0.900    68.092  33.902  42.570  -99.200  -91.000
       TYR 131     0.840    73.575  43.069  44.556  -99.200  -91.000
       PHE 134     1.000    69.296  37.235  38.742  -99.200  -91.000
       PHE 157     1.000    56.961  21.357  23.951  -99.200  -91.000
       TYR 169     0.840    75.664  33.407  22.689  -99.200  -91.000
       HIS 185     0.900    57.921  26.643  11.943  -99.200  -91.000
       HIS 191     0.900    54.095  32.720  15.371  -99.200  -91.000
       PHE 195     1.000    55.666  33.116  26.727  -99.200  -91.000
       PHE 207     1.000    67.400  26.409  31.797  -99.200  -91.000
       TYR 223     0.840    60.119  33.119  31.795  -99.200  -91.000
       HIS 236     0.900    69.453  30.294  41.518  -99.200  -91.000
       TYR 246     0.840    60.556  33.499   8.715  -99.200  -91.000
       PHE 249     1.000    64.290  35.403  13.365  -99.200  -91.000
       TYR 255     0.840    63.968  47.110  21.066  -99.200  -91.000
       PHE 256     1.000    63.513  41.719  22.094  -99.200  -91.000
       HIS 261     0.900    74.132  53.558  25.244  -99.200  -91.000
       PHE 262     1.000    72.312  49.354  15.894  -99.200  -91.000
       HIS 280     0.900    55.780  44.628  18.197  -99.200  -91.000
       HIS 291     0.900    43.755  68.666  18.944  -99.200  -91.000
       PHE 310     1.000    71.761  47.883   9.831  -99.200  -91.000
       TYR 317     0.840    74.083  43.787   8.029  -99.200  -91.000
       TRP 325     1.040    79.118  53.601  19.657  -99.200  -91.000
      TRP6 325     1.020    80.919  52.597  20.815  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================