=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 32 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    88.268 121.382  -5.272  -99.200  -91.000
       HIS  2     0.900    87.404 116.340  -6.749  -99.200  -91.000
       HIS  3     0.900    86.670 118.666 -15.286  -99.200  -91.000
       TYR 31     0.840    47.454 111.652  -5.035  -99.200  -91.000
       TRP 37     1.040    38.606 115.975   4.391  -99.200  -91.000
      TRP6 37     1.020    36.773 114.565   3.858  -99.200  -91.000
       TYR 39     0.840    44.032 106.409   7.216  -99.200  -91.000
       HIS 41     0.900    36.556 114.562   7.557  -99.200  -91.000
       PHE 49     1.000    43.873 104.133  -4.234  -99.200  -91.000
       PHE 51     1.000    50.953 106.014   4.570  -99.200  -91.000
       HIS 53     0.900    48.673 107.493  -6.290  -99.200  -91.000
       TYR 58     0.840    60.340 110.453  -1.111  -99.200  -91.000
       HIS 60     0.900    55.880 106.647  -9.554  -99.200  -91.000
       PHE 67     1.000    68.023 109.332 -16.768  -99.200  -91.000
       HIS 85     0.900    43.820 122.916   5.489  -99.200  -91.000
       PHE 87     1.000    41.406 117.707   0.146  -99.200  -91.000
       PHE 94     1.000    39.662 108.373  -4.376  -99.200  -91.000
       TYR 98     0.840    40.309 110.581 -14.456  -99.200  -91.000
       HIS 100     0.900    48.276 115.916  -8.783  -99.200  -91.000
       HIS 103     0.900    49.810 118.932 -13.667  -99.200  -91.000
       HIS 114     0.900    62.916 119.563 -25.122  -99.200  -91.000
       HIS 121     0.900    65.628 108.659 -29.459  -99.200  -91.000
       PHE 124     1.000    61.039 107.067 -26.408  -99.200  -91.000
       PHE 126     1.000    65.000 107.063 -15.789  -99.200  -91.000
       TRP 129     1.040    61.175 104.044 -15.010  -99.200  -91.000
      TRP6 129     1.020    60.064 105.066 -13.184  -99.200  -91.000
       TYR 130     0.840    57.460 109.382 -14.135  -99.200  -91.000
       HIS 135     0.900    47.406 103.747 -19.719  -99.200  -91.000
       PHE 141     1.000    44.328 108.026  -7.943  -99.200  -91.000
       HIS 156     0.900    23.110 101.142   4.419  -99.200  -91.000
       TYR 159     0.840    30.430  99.474   5.174  -99.200  -91.000
       TYR 164     0.840    35.601  98.714  -6.140  -99.200  -91.000