=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 41 rings
        ring        int.           center             anis.    iso.
       HIS  5     0.900    -4.425  -6.852 -87.044  -99.200  -91.000
       PHE 12     1.000   -14.233  -5.993 -73.251  -99.200  -91.000
       TYR 18     0.840    -1.791 -22.320 -82.119  -99.200  -91.000
       PHE 52     1.000    27.787 -27.112 -68.215  -99.200  -91.000
       HIS 54     0.900    27.013 -18.264 -62.938  -99.200  -91.000
       HIS 57     0.900    32.294 -30.481 -66.495  -99.200  -91.000
       TYR 59     0.840    24.032 -26.724 -59.545  -99.200  -91.000
       HIS 60     0.900    25.639 -26.682 -64.942  -99.200  -91.000
       PHE 94     1.000    31.931 -10.899 -54.909  -99.200  -91.000
       TYR 108     0.840    42.130  -1.271 -52.642  -99.200  -91.000
       PHE 115     1.000    43.192 -11.219 -51.728  -99.200  -91.000
       PHE 124     1.000    35.283  -7.303 -57.112  -99.200  -91.000
       TYR 125     0.840    40.531 -14.618 -59.632  -99.200  -91.000
       TYR 128     0.840    42.338 -10.501 -70.078  -99.200  -91.000
       TYR 140     0.840    33.831   5.254 -66.521  -99.200  -91.000
       TYR 142     0.840    31.201  -0.294 -68.635  -99.200  -91.000
       HIS 155     0.900    48.216  -0.096 -62.411  -99.200  -91.000
       HIS 169     0.900    23.327  -4.414 -58.749  -99.200  -91.000
       PHE 199     1.000    28.741 -32.872 -68.019  -99.200  -91.000
       PHE 209     1.000    20.413 -22.096 -75.661  -99.200  -91.000
       PHE 212     1.000    30.643 -12.397 -74.215  -99.200  -91.000
       HIS 242     0.900    31.070  -2.561 -82.526  -99.200  -91.000
       TYR 304     0.840    15.036  -8.592 -56.714  -99.200  -91.000
       PHE 321     1.000     2.435  -7.770 -80.735  -99.200  -91.000
       TYR 338     0.840     6.829 -14.150 -55.679  -99.200  -91.000
       TYR 345     0.840     1.488 -12.182 -64.238  -99.200  -91.000
       TYR 360     0.840    -3.403 -13.210 -95.566  -99.200  -91.000
       PHE 362     1.000     6.243 -12.481 -88.431  -99.200  -91.000
       PHE 363     1.000     1.815 -18.006 -96.228  -99.200  -91.000
       HIS 371     0.900    17.301 -16.658-105.909  -99.200  -91.000
       TYR 389     0.840    -2.355 -17.999 -92.964  -99.200  -91.000
       TYR 412     0.840     7.741 -20.312 -96.223  -99.200  -91.000
       PHE 441     1.000     9.377 -42.031 -79.612  -99.200  -91.000
       PHE 442     1.000     4.747 -44.628 -85.927  -99.200  -91.000
       HIS 449     0.900    12.004 -49.742 -90.873  -99.200  -91.000
       HIS 455     0.900    -0.617 -48.438 -89.512  -99.200  -91.000
       PHE 463     1.000    -0.375 -33.756 -79.581  -99.200  -91.000
       TYR 469     0.840    -4.083 -28.217 -80.807  -99.200  -91.000
       TYR 475     0.840   -11.799 -28.366 -95.149  -99.200  -91.000
       HIS 480     0.900     2.858 -38.190 -96.996  -99.200  -91.000
       TYR 481     0.840    13.162 -34.149-101.272  -99.200  -91.000