=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 31 rings
        ring        int.           center             anis.    iso.
       TYR  5     0.840    72.121 -26.759 -24.984  -99.200  -91.000
       HIS  9     0.900    56.688 -28.878 -15.812  -99.200  -91.000
       TRP 14     1.040    46.483 -29.628 -10.779  -99.200  -91.000
      TRP6 14     1.020    46.771 -31.816  -9.930  -99.200  -91.000
       TRP 23     1.040    55.769 -40.250  -9.796  -99.200  -91.000
      TRP6 23     1.020    55.894 -42.596  -9.535  -99.200  -91.000
       TYR 52     0.840    67.341 -39.407 -24.154  -99.200  -91.000
       TYR 75     0.840    65.077 -41.838 -27.995  -99.200  -91.000
       HIS 84     0.900    54.326 -41.552  -5.726  -99.200  -91.000
       TRP 88     1.040    52.320 -34.328   1.498  -99.200  -91.000
      TRP6 88     1.020    54.376 -33.229   1.878  -99.200  -91.000
       HIS 93     0.900    52.668 -25.089  -1.696  -99.200  -91.000
       PHE 104     1.000    54.251 -27.475   2.799  -99.200  -91.000
       HIS 106     0.900    61.468 -31.910   9.216  -99.200  -91.000
       PHE 107     1.000    58.993 -31.265  -0.878  -99.200  -91.000
       TRP 108     1.040    58.396 -26.548   0.549  -99.200  -91.000
      TRP6 108     1.020    58.936 -26.158  -1.721  -99.200  -91.000
       HIS 112     0.900    69.031 -32.326   6.402  -99.200  -91.000
       TYR 114     0.840    59.489 -35.377   1.998  -99.200  -91.000
       PHE 122     1.000    63.437 -33.404  -1.286  -99.200  -91.000
       HIS 140     0.900    71.874 -39.710 -27.465  -99.200  -91.000
       HIS 150     0.900    58.431 -33.270 -14.334  -99.200  -91.000
       PHE 161     1.000    74.912 -33.057 -13.167  -99.200  -91.000
       HIS 168     0.900    73.636 -26.273   2.945  -99.200  -91.000
       TRP 170     1.040    64.226 -27.311  -1.421  -99.200  -91.000
      TRP6 170     1.020    63.350 -27.579  -3.602  -99.200  -91.000
       TYR 174     0.840    62.443 -20.453  -8.754  -99.200  -91.000
       TYR 176     0.840    63.064 -17.613 -12.519  -99.200  -91.000
       PHE 190     1.000    78.061 -36.295 -15.306  -99.200  -91.000
       HIS 191     0.900    84.212 -30.473 -16.462  -99.200  -91.000
       HIS 200     0.900    65.048 -18.945 -22.772  -99.200  -91.000