=============================================================================
          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     3.056  55.147  23.795  -99.200  -91.000
       HIS  6     0.900     3.086  59.461  14.929  -99.200  -91.000
       TYR 18     0.840    21.364  64.101   6.334  -99.200  -91.000
       TRP 25     1.040    31.454  63.297  12.681  -99.200  -91.000
      TRP6 25     1.020    31.900  61.636  14.302  -99.200  -91.000
       TYR 30     0.840    18.459  63.350  11.039  -99.200  -91.000
       PHE 40     1.000     8.618  62.029  25.754  -99.200  -91.000
       HIS 41     0.900     5.753  60.345  29.281  -99.200  -91.000
       TYR 47     0.840    10.463  73.793  18.427  -99.200  -91.000
       HIS 72     0.900     5.888  63.461   3.023  -99.200  -91.000
       HIS 78     0.900    12.869  69.160  -1.604  -99.200  -91.000
       PHE 89     1.000    26.883  50.520  -6.372  -99.200  -91.000
       TRP 93     1.040    31.185  42.188   6.363  -99.200  -91.000
      TRP6 93     1.020    33.552  42.194   6.408  -99.200  -91.000
       TRP 103     1.040    32.859  50.138  -6.627  -99.200  -91.000
      TRP6 103     1.020    32.137  48.593  -4.987  -99.200  -91.000
       TYR 104     0.840    25.653  57.494  -8.224  -99.200  -91.000
       PHE 108     1.000    31.579  50.556 -12.075  -99.200  -91.000
       HIS 130     0.900    28.761  33.764   0.262  -99.200  -91.000
       TYR 131     0.840    23.313  42.949  -1.852  -99.200  -91.000
       PHE 134     1.000    27.606  37.214   4.009  -99.200  -91.000
       PHE 157     1.000    39.752  21.287  18.912  -99.200  -91.000
       TYR 169     0.840    21.238  33.031  20.131  -99.200  -91.000
       HIS 185     0.900    39.061  26.508  30.761  -99.200  -91.000
       HIS 191     0.900    42.874  32.648  27.340  -99.200  -91.000
       PHE 195     1.000    41.085  33.011  16.080  -99.200  -91.000
       PHE 207     1.000    29.595  26.218  11.095  -99.200  -91.000
       TYR 224     0.840    36.837  32.969  11.005  -99.200  -91.000
       HIS 237     0.900    27.457  30.054   1.260  -99.200  -91.000
       TYR 247     0.840    36.499  33.288  34.076  -99.200  -91.000
       PHE 250     1.000    32.755  35.210  29.364  -99.200  -91.000
       TYR 256     0.840    32.696  47.085  21.794  -99.200  -91.000
       PHE 257     1.000    33.430  41.557  20.791  -99.200  -91.000
       HIS 262     0.900    22.638  53.425  17.602  -99.200  -91.000
       PHE 263     1.000    24.221  49.131  26.946  -99.200  -91.000
       HIS 281     0.900    41.052  44.457  24.627  -99.200  -91.000
       HIS 292     0.900    51.573  70.448  23.555  -99.200  -91.000
       PHE 311     1.000    25.103  47.719  33.033  -99.200  -91.000
       TYR 318     0.840    22.856  43.556  34.805  -99.200  -91.000
       TRP 326     1.040    17.354  53.125  22.745  -99.200  -91.000
      TRP6 326     1.020    15.823  51.980  21.347  -99.200  -91.000

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