=============================================================================
          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    66.241 -63.828 -92.222  -99.200  -91.000
       PHE 12     1.000    82.407 -64.293 -86.650  -99.200  -91.000
       TYR 18     0.840    67.083 -48.164 -86.810  -99.200  -91.000
       PHE 52     1.000    50.847 -43.656 -58.322  -99.200  -91.000
       HIS 54     0.900    54.373 -52.683 -54.056  -99.200  -91.000
       HIS 57     0.900    48.077 -40.445 -54.540  -99.200  -91.000
       TYR 59     0.840    58.793 -44.076 -53.481  -99.200  -91.000
       HIS 60     0.900    54.355 -44.117 -56.815  -99.200  -91.000
       PHE 94     1.000    52.116 -63.212 -43.059  -99.200  -91.000
       TYR 108     0.840    42.442 -72.464 -38.437  -99.200  -91.000
       PHE 115     1.000    42.804 -62.444 -35.387  -99.200  -91.000
       PHE 124     1.000    48.033 -66.297 -44.421  -99.200  -91.000
       TYR 125     0.840    43.428 -57.848 -43.970  -99.200  -91.000
       TYR 128     0.840    37.268 -60.683 -53.017  -99.200  -91.000
       TYR 140     0.840    44.074 -76.569 -56.035  -99.200  -91.000
       TYR 142     0.840    47.185 -70.930 -57.844  -99.200  -91.000
       HIS 155     0.900    32.933 -71.256 -46.767  -99.200  -91.000
       HIS 169     0.900    57.953 -69.437 -51.074  -99.200  -91.000
       PHE 199     1.000    50.039 -37.939 -57.666  -99.200  -91.000
       PHE 209     1.000    52.532 -48.633 -68.795  -99.200  -91.000
       PHE 212     1.000    45.064 -58.460 -61.798  -99.200  -91.000
       HIS 242     0.900    39.989 -68.265 -68.415  -99.200  -91.000
       TYR 304     0.840    67.929 -62.144 -56.476  -99.200  -91.000
       PHE 321     1.000    64.432 -62.822 -83.399  -99.200  -91.000
       TYR 338     0.840    75.201 -56.481 -60.321  -99.200  -91.000
       TYR 345     0.840    74.663 -58.387 -70.413  -99.200  -91.000
       TYR 360     0.840    60.632 -57.285 -98.835  -99.200  -91.000
       PHE 362     1.000    56.855 -58.118 -87.452  -99.200  -91.000
       PHE 363     1.000    55.935 -52.541 -96.353  -99.200  -91.000
       HIS 371     0.900    37.714 -54.017 -95.386  -99.200  -91.000
       TYR 389     0.840    61.211 -52.523 -96.079  -99.200  -91.000
       TYR 412     0.840    51.071 -50.269 -92.940  -99.200  -91.000
       PHE 441     1.000    59.143 -28.605 -78.265  -99.200  -91.000
       PHE 442     1.000    59.284 -25.946 -86.053  -99.200  -91.000
       HIS 449     0.900    50.461 -20.910 -85.907  -99.200  -91.000
       HIS 455     0.900    61.565 -22.084 -92.067  -99.200  -91.000
       PHE 463     1.000    67.189 -36.786 -83.872  -99.200  -91.000
       TYR 469     0.840    69.567 -42.302 -87.047  -99.200  -91.000
       TYR 475     0.840    67.627 -42.059-103.233  -99.200  -91.000
       HIS 480     0.900    54.506 -32.375 -96.240  -99.200  -91.000
       TYR 481     0.840    43.649 -36.494 -93.853  -99.200  -91.000