=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 22 rings
        ring        int.           center             anis.    iso.
       HIS  4     0.900    58.001 -10.855 -21.223  -99.200  -91.000
       TYR  7     0.840    49.852 -12.787 -24.124  -99.200  -91.000
       TYR 28     0.840    40.892  11.319  -2.282  -99.200  -91.000
       TYR 37     0.840    70.892  17.801   0.844  -99.200  -91.000
       PHE 38     1.000    67.630  13.686  -0.798  -99.200  -91.000
       PHE 47     1.000    61.090  15.734 -10.512  -99.200  -91.000
       PHE 50     1.000    56.972  14.661  -0.197  -99.200  -91.000
       PHE 59     1.000    54.400   0.365   0.579  -99.200  -91.000
       PHE 64     1.000    39.813   0.683  -0.047  -99.200  -91.000
       HIS 87     0.900    49.937  -6.361   6.019  -99.200  -91.000
       TYR 121     0.840    44.321   3.202  11.635  -99.200  -91.000
       HIS 128     0.900    51.049 -15.776  20.787  -99.200  -91.000
       PHE 132     1.000    56.706 -12.541  10.062  -99.200  -91.000
       PHE 150     1.000    48.598 -14.056   6.051  -99.200  -91.000
       TYR 154     0.840    56.385 -10.105   1.528  -99.200  -91.000
       TYR 175     0.840    55.763  13.281 -21.109  -99.200  -91.000
       HIS 215     0.900    71.897  -7.933   1.657  -99.200  -91.000
       TYR 221     0.840    68.092  -8.444  -9.635  -99.200  -91.000
       TYR 222     0.840    72.677  -8.760  -5.651  -99.200  -91.000
       HIS 229     0.900    71.929 -10.729   3.911  -99.200  -91.000
       TYR 249     0.840    63.660 -14.658  -7.564  -99.200  -91.000
       HIS 301     0.900    71.762   3.548 -13.620  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================