=============================================================================
          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    -3.618 -46.244  66.336  -99.200  -91.000
       PHE 12     1.000    10.148 -38.136  69.325  -99.200  -91.000
       TYR 18     0.840    -5.517 -46.023  82.702  -99.200  -91.000
       PHE 52     1.000     0.733 -75.125  97.315  -99.200  -91.000
       HIS 54     0.900     9.360 -75.896  91.566  -99.200  -91.000
       HIS 57     0.900    -0.055 -78.486 101.885  -99.200  -91.000
       TYR 59     0.840     9.299 -71.774 100.310  -99.200  -91.000
       HIS 60     0.900     4.392 -72.892  98.084  -99.200  -91.000
       PHE 94     1.000    19.324 -83.392  89.502  -99.200  -91.000
       TYR 108     0.840    23.755 -95.377  83.332  -99.200  -91.000
       PHE 115     1.000    19.350 -94.873  93.005  -99.200  -91.000
       PHE 124     1.000    18.484 -87.071  86.028  -99.200  -91.000
       TYR 125     0.840    11.811 -90.957  91.446  -99.200  -91.000
       TYR 128     0.840     4.433 -91.573  83.310  -99.200  -91.000
       TYR 140     0.840    15.358 -86.560  70.261  -99.200  -91.000
       TYR 142     0.840    11.515 -83.105  73.999  -99.200  -91.000
       HIS 155     0.900    14.022 -99.933  77.234  -99.200  -91.000
       HIS 169     0.900    19.716 -75.987  81.147  -99.200  -91.000
       PHE 199     1.000    -1.691 -74.882 102.694  -99.200  -91.000
       PHE 209     1.000    -2.298 -68.074  88.746  -99.200  -91.000
       PHE 212     1.000     1.510 -79.903  82.537  -99.200  -91.000
       HIS 242     0.900    -2.432 -81.621  69.837  -99.200  -91.000
       TYR 304     0.840    20.362 -65.988  84.409  -99.200  -91.000
       PHE 321     1.000     1.623 -52.909  71.261  -99.200  -91.000
       TYR 338     0.840    20.419 -57.192  88.976  -99.200  -91.000
       TYR 345     0.840    14.208 -52.233  81.937  -99.200  -91.000
       TYR 360     0.840   -13.891 -45.525  68.819  -99.200  -91.000
       PHE 362     1.000    -8.312 -55.161  72.771  -99.200  -91.000
       PHE 363     1.000   -16.885 -49.348  72.769  -99.200  -91.000
       HIS 371     0.900   -26.988 -64.582  70.422  -99.200  -91.000
       TYR 389     0.840   -13.383 -45.298  73.844  -99.200  -91.000
       TYR 412     0.840   -18.489 -54.804  75.992  -99.200  -91.000
       PHE 441     1.000   -13.663 -53.547 102.427  -99.200  -91.000
       PHE 442     1.000   -19.554 -48.081 101.816  -99.200  -91.000
       HIS 449     0.900   -26.132 -54.157 104.942  -99.200  -91.000
       HIS 455     0.900   -23.421 -43.119 102.455  -99.200  -91.000
       PHE 463     1.000    -8.393 -45.283  93.943  -99.200  -91.000
       TYR 469     0.840    -6.577 -42.421  87.932  -99.200  -91.000
       TYR 475     0.840   -19.101 -34.385  80.683  -99.200  -91.000
       HIS 480     0.900   -25.584 -46.400  90.792  -99.200  -91.000
       HIS 483     0.900   -33.491 -45.186  93.778  -99.200  -91.000
       TYR 488     0.840   -30.116 -56.749  86.197  -99.200  -91.000