=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 34 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    33.884  24.924  72.560  -99.200  -91.000
       HIS  2     0.900    36.608  20.404  80.281  -99.200  -91.000
       HIS  3     0.900    40.263  20.441  78.263  -99.200  -91.000
       HIS  4     0.900    37.273  26.342  73.866  -99.200  -91.000
       HIS  5     0.900    35.735  18.405  72.095  -99.200  -91.000
       TRP 21     1.040    22.294   5.819  56.211  -99.200  -91.000
      TRP6 21     1.020    23.684   7.289  55.011  -99.200  -91.000
       PHE 24     1.000     8.995   7.367  48.140  -99.200  -91.000
       TRP 31     1.040    19.923   6.866  46.366  -99.200  -91.000
      TRP6 31     1.020    22.078   7.819  46.237  -99.200  -91.000
       HIS 42     0.900    41.779  -0.386  57.580  -99.200  -91.000
       TYR 47     0.840    23.374   3.536  51.309  -99.200  -91.000
       HIS 60     0.900    16.045   5.991  41.439  -99.200  -91.000
       TRP 61     1.040    13.417  11.571  47.185  -99.200  -91.000
      TRP6 61     1.020    13.865  13.612  48.272  -99.200  -91.000
       TRP 66     1.040    15.897  11.752  65.217  -99.200  -91.000
      TRP6 66     1.020    16.145  11.549  67.562  -99.200  -91.000
       HIS 74     0.900    24.515  27.478  62.676  -99.200  -91.000
       TYR 76     0.840    30.437  23.568  60.454  -99.200  -91.000
       PHE 81     1.000    30.222  14.768  45.390  -99.200  -91.000
       PHE 100     1.000    25.326  14.785  46.131  -99.200  -91.000
       PHE 103     1.000    16.048  18.165  49.228  -99.200  -91.000
       TYR 104     0.840    18.462  21.102  58.032  -99.200  -91.000
       TYR 105     0.840    10.986  17.648  59.244  -99.200  -91.000
       TRP 119     1.040    10.207   9.298  51.188  -99.200  -91.000
      TRP6 119     1.020    12.440   8.965  51.897  -99.200  -91.000
       TYR 124     0.840    13.434  15.023  54.047  -99.200  -91.000
       HIS 134     0.900    38.208  17.505  41.320  -99.200  -91.000
       PHE 163     1.000    21.144  16.478  62.230  -99.200  -91.000
       TYR 164     0.840    14.812  11.169  60.611  -99.200  -91.000
       PHE 167     1.000    22.874  12.357  51.471  -99.200  -91.000
       HIS 180     0.900    33.550  12.957  60.569  -99.200  -91.000
       PHE 182     1.000    32.888  18.747  61.218  -99.200  -91.000
       TYR 183     0.840    28.412  18.944  68.744  -99.200  -91.000