=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 47 rings
        ring        int.           center             anis.    iso.
       TYR  3     0.840     7.943 -22.925 -65.206  -99.200  -91.000
       PHE  4     1.000     5.665 -14.939 -62.702  -99.200  -91.000
       TYR  6     0.840    12.085  -9.188 -69.667  -99.200  -91.000
       TRP 13     1.040     5.632 -13.923 -73.564  -99.200  -91.000
      TRP6 13     1.020     3.955 -14.981 -74.850  -99.200  -91.000
       TYR 26     0.840    -8.411 -11.286 -65.601  -99.200  -91.000
       TYR 31     0.840    -0.301  -9.071 -55.162  -99.200  -91.000
       TYR 33     0.840    -0.783 -15.102 -56.630  -99.200  -91.000
       HIS 41     0.900    10.122 -22.043 -56.357  -99.200  -91.000
       TRP 42     1.040     4.501 -29.112 -51.804  -99.200  -91.000
      TRP6 42     1.020     4.500 -31.430 -52.278  -99.200  -91.000
       HIS 43     0.900     5.964 -32.133 -57.351  -99.200  -91.000
       PHE 45     1.000    11.120 -27.331 -48.020  -99.200  -91.000
       TYR 52     0.840    14.173 -38.888 -41.684  -99.200  -91.000
       HIS 54     0.900     9.179 -35.932 -46.978  -99.200  -91.000
       TYR 58     0.840     1.834 -22.352 -48.712  -99.200  -91.000
       PHE 79     1.000    -2.497 -27.065 -47.423  -99.200  -91.000
       PHE 102     1.000    -5.278 -23.614 -34.573  -99.200  -91.000
       PHE 123     1.000    -5.416 -28.747 -31.691  -99.200  -91.000
       HIS 160     0.900    26.355 -18.683 -30.906  -99.200  -91.000
       TYR 162     0.840    21.081 -10.192 -33.586  -99.200  -91.000
       PHE 172     1.000     6.385 -15.906 -31.979  -99.200  -91.000
       PHE 176     1.000    17.057 -28.148 -25.087  -99.200  -91.000
       TYR 183     0.840     7.387 -32.050 -25.183  -99.200  -91.000
       HIS 187     0.900     3.024 -39.155 -21.045  -99.200  -91.000
       HIS 195     0.900     0.002 -37.616 -31.742  -99.200  -91.000
       HIS 200     0.900     9.017 -22.694 -36.091  -99.200  -91.000
       PHE 211     1.000    20.008 -26.311 -39.167  -99.200  -91.000
       HIS 231     0.900     7.694 -43.986 -26.036  -99.200  -91.000
       HIS 234     0.900     4.748 -34.236 -35.075  -99.200  -91.000
       TYR 244     0.840    22.011 -23.171 -42.875  -99.200  -91.000
       HIS 255     0.900    17.323 -39.820 -32.578  -99.200  -91.000
       PHE 262     1.000    11.787 -30.501 -43.725  -99.200  -91.000
       PHE 281     1.000     0.217  11.526 -62.954  -99.200  -91.000
       HIS 284     0.900    11.994  13.139 -65.104  -99.200  -91.000
       HIS 287     0.900    21.038  17.137 -55.029  -99.200  -91.000
       PHE 290     1.000    11.082  11.447 -55.967  -99.200  -91.000
       TRP 302     1.040    16.484  -4.557 -53.709  -99.200  -91.000
      TRP6 302     1.020    16.768  -6.175 -55.412  -99.200  -91.000
       TYR 318     0.840    12.858   7.108 -63.531  -99.200  -91.000
       PHE 330     1.000     9.697   3.021 -49.301  -99.200  -91.000
       TYR 353     0.840     4.931 -13.926 -45.338  -99.200  -91.000
       PHE 355     1.000    -5.354 -10.048 -52.228  -99.200  -91.000
       TYR 361     0.840    -4.009   4.270 -44.944  -99.200  -91.000
       TYR 378     0.840    -6.797 -22.288 -64.603  -99.200  -91.000
       TRP 390     1.040   -19.726   2.777 -48.859  -99.200  -91.000
      TRP6 390     1.020   -18.149   3.214 -50.566  -99.200  -91.000