=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 42 rings
        ring        int.           center             anis.    iso.
       HIS  2     0.900     8.909  13.954  29.498  -99.200  -91.000
       PHE  4     1.000    12.166  16.285  26.274  -99.200  -91.000
       HIS 27     0.900    16.660  26.648  26.905  -99.200  -91.000
       TYR 30     0.840    22.158  15.578  36.357  -99.200  -91.000
       PHE 37     1.000    34.061   7.895  16.100  -99.200  -91.000
       PHE 45     1.000    31.997  16.263  17.397  -99.200  -91.000
       PHE 46     1.000    29.273  10.527  13.196  -99.200  -91.000
       PHE 51     1.000    18.238  17.581  26.602  -99.200  -91.000
       HIS 52     0.900    17.410  14.997  34.481  -99.200  -91.000
       PHE 65     1.000    21.139  21.819  18.552  -99.200  -91.000
       PHE 72     1.000    29.651  24.804  15.767  -99.200  -91.000
       TRP 75     1.040    19.254  20.193  14.401  -99.200  -91.000
      TRP6 75     1.020    17.561  20.628  15.990  -99.200  -91.000
       HIS 78     0.900    14.191  11.717  17.792  -99.200  -91.000
       HIS 94     0.900    13.851 -16.452  10.367  -99.200  -91.000
       PHE 101     1.000     8.957 -13.506  24.116  -99.200  -91.000
       TRP 103     1.040     5.277  -3.961  20.308  -99.200  -91.000
      TRP6 103     1.020     3.206  -5.077  20.088  -99.200  -91.000
       HIS 117     0.900     4.473 -14.625  -0.342  -99.200  -91.000
       PHE 120     1.000     4.462 -15.371   8.629  -99.200  -91.000
       HIS 127     0.900     1.534 -10.912  18.450  -99.200  -91.000
       PHE 131     1.000    -0.507  -9.519   7.060  -99.200  -91.000
       HIS 133     0.900    -1.616 -11.024   0.106  -99.200  -91.000
       PHE 134     1.000    -0.653  -3.120   0.275  -99.200  -91.000
       TRP 148     1.040     6.019  -1.919  -0.138  -99.200  -91.000
      TRP6 148     1.020     7.846  -0.700   0.738  -99.200  -91.000
       PHE 152     1.000     7.987   4.999   5.798  -99.200  -91.000
       TYR 165     0.840     8.915  -7.215   1.141  -99.200  -91.000
       HIS 184     0.900    23.127  -9.843   4.479  -99.200  -91.000
       HIS 185     0.900    22.035 -16.276   4.209  -99.200  -91.000
       PHE 187     1.000    26.220 -18.603   5.213  -99.200  -91.000
       PHE 191     1.000    30.276 -20.863   2.211  -99.200  -91.000
       TYR 197     0.840    21.978 -21.120   6.395  -99.200  -91.000
       HIS 198     0.900    21.794 -28.057   1.649  -99.200  -91.000
       HIS 201     0.900    27.467 -30.655   6.022  -99.200  -91.000
       HIS 213     0.900    21.889  -4.364   4.576  -99.200  -91.000
       PHE 214     1.000    20.585   2.714   9.022  -99.200  -91.000
       HIS 234     0.900    32.618 -32.451  14.696  -99.200  -91.000
       TYR 236     0.840    25.631 -27.158  15.350  -99.200  -91.000
       PHE 260     1.000    15.868   4.194  13.135  -99.200  -91.000
       PHE 266     1.000    24.572   9.544  15.990  -99.200  -91.000
       PHE 275     1.000    27.992   7.721  19.777  -99.200  -91.000