=============================================================================
          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  5     0.900    17.060 -36.128 -13.547  -99.200  -91.000
       PHE 12     1.000     8.051 -50.140 -11.320  -99.200  -91.000
       TYR 18     0.840    13.781 -33.769   2.376  -99.200  -91.000
       PHE 52     1.000    -8.813 -10.075   7.211  -99.200  -91.000
       HIS 54     0.900   -14.739 -14.019  -0.316  -99.200  -91.000
       HIS 57     0.900   -11.243  -6.011  10.895  -99.200  -91.000
       TYR 59     0.840   -15.473 -16.686   8.969  -99.200  -91.000
       HIS 60     0.900   -11.278 -13.348   7.750  -99.200  -91.000
       PHE 94     1.000   -25.419 -12.730  -6.412  -99.200  -91.000
       TYR 108     0.840   -32.622  -5.327 -16.421  -99.200  -91.000
       PHE 115     1.000   -31.620  -2.474  -6.369  -99.200  -91.000
       PHE 124     1.000   -25.103  -9.494 -10.673  -99.200  -91.000
       TYR 125     0.840   -23.056  -2.692  -4.647  -99.200  -91.000
       TYR 128     0.840   -14.408   1.180 -10.911  -99.200  -91.000
       TYR 140     0.840   -17.773 -10.103 -24.333  -99.200  -91.000
       TYR 142     0.840   -13.944 -10.667 -19.333  -99.200  -91.000
       HIS 155     0.900   -24.985   2.912 -20.258  -99.200  -91.000
       HIS 169     0.900   -20.094 -20.181 -12.510  -99.200  -91.000
       PHE 199     1.000    -8.349  -8.551  13.062  -99.200  -91.000
       PHE 209     1.000    -0.244 -15.346   1.684  -99.200  -91.000
       PHE 212     1.000    -6.798  -7.643  -8.238  -99.200  -91.000
       HIS 242     0.900    -1.133  -6.788 -19.810  -99.200  -91.000
       TYR 304     0.840   -17.532 -28.539  -7.100  -99.200  -91.000
       PHE 321     1.000     8.372 -32.252 -12.103  -99.200  -91.000
       TYR 338     0.840   -15.028 -35.640  -0.895  -99.200  -91.000
       TYR 345     0.840    -5.284 -37.859  -4.513  -99.200  -91.000
       TYR 360     0.840    25.391 -31.283  -8.701  -99.200  -91.000
       PHE 362     1.000    15.308 -25.183  -8.697  -99.200  -91.000
       PHE 363     1.000    24.801 -26.081  -5.424  -99.200  -91.000
       HIS 371     0.900    27.685  -8.493  -9.307  -99.200  -91.000
       TYR 389     0.840    23.501 -31.206  -4.246  -99.200  -91.000
       TYR 412     0.840    22.951 -20.363  -3.255  -99.200  -91.000
       PHE 441     1.000    11.162 -20.759  20.886  -99.200  -91.000
       PHE 442     1.000    18.898 -22.847  22.635  -99.200  -91.000
       HIS 449     0.900    20.545 -13.998  25.634  -99.200  -91.000
       HIS 455     0.900    24.458 -25.015  25.568  -99.200  -91.000
       PHE 463     1.000    13.172 -31.382  13.702  -99.200  -91.000
       TYR 469     0.840    14.673 -35.278   8.359  -99.200  -91.000
       TYR 475     0.840    31.079 -37.070   6.353  -99.200  -91.000
       HIS 480     0.900    27.819 -22.246  14.196  -99.200  -91.000
       HIS 483     0.900    33.047 -19.258  19.684  -99.200  -91.000
       TYR 488     0.840    28.553 -11.708   8.138  -99.200  -91.000