=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 20 rings
        ring        int.           center             anis.    iso.
       TYR 21     0.840    64.622  24.360 -10.437  -99.200  -91.000
       TYR 30     0.840    44.088  15.693  10.980  -99.200  -91.000
       PHE 31     1.000    45.675  20.247   8.288  -99.200  -91.000
       PHE 40     1.000    43.929  20.181  -3.468  -99.200  -91.000
       PHE 43     1.000    53.920  19.791   1.353  -99.200  -91.000
       PHE 52     1.000    57.433  33.830   2.488  -99.200  -91.000
       PHE 57     1.000    67.898  34.321  -7.699  -99.200  -91.000
       HIS 80     0.900    65.005  39.783   4.575  -99.200  -91.000
       TYR 114     0.840    71.559  28.866   3.332  -99.200  -91.000
       HIS 121     0.900    74.949  46.904  17.287  -99.200  -91.000
       PHE 125     1.000    63.677  44.043  13.231  -99.200  -91.000
       PHE 143     1.000    66.643  47.302   5.025  -99.200  -91.000
       TYR 147     0.840    57.469  43.877   6.177  -99.200  -91.000
       TYR 168     0.840    44.570  24.218 -15.208  -99.200  -91.000
       HIS 208     0.900    45.588  41.265  15.894  -99.200  -91.000
       TYR 214     0.840    41.036  43.135   5.473  -99.200  -91.000
       TYR 215     0.840    40.376  42.797  11.606  -99.200  -91.000
       HIS 222     0.900    47.160  43.541  18.195  -99.200  -91.000
       TYR 242     0.840    46.204  49.175   4.968  -99.200  -91.000
       HIS 294     0.900    35.119  32.357   3.272  -99.200  -91.000

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