=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 2 rings
        ring        int.           center             anis.    iso.
       PHE  1     1.000     8.121   2.114 -21.743  -99.200  -91.000
       PHE  3     1.000    16.418   0.416 -20.771  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1gybH1 PHE  43 HA    -0.04  -0.01   0.14  -0.75   4.62     3.97
1gybH1 PHE  43 HB2   -0.02  -0.07   0.12  -0.04   3.15     3.14
1gybH1 PHE  43 HB3   -0.09  -0.03   0.13  -0.04   3.06     3.03
1gybH1 PHE  43 HD2    0.01   0.02   0.02  -0.04   7.28     7.29
1gybH1 PHE  43 HE2    0.01   0.01   0.01  -0.04   7.38     7.37
1gybH1 PHE  43 HZ     0.01   0.00   0.01  -0.04   7.32     7.30
1gybH1 SER  44 H      0.03   0.11   0.05  -0.55   8.46     8.10
1gybH1 SER  44 HA    -0.01   0.22   0.80  -0.75   4.49     4.74
1gybH1 SER  44 HB2   -0.09   0.03   0.06  -0.04   3.95     3.91
1gybH1 SER  44 HB3   -0.20  -0.04   0.05  -0.04   3.93     3.69
1gybH1 PHE  45 H      0.19   0.27  -0.24  -0.55   8.34     8.01
1gybH1 PHE  45 HA     0.04   0.23   0.61  -0.75   4.62     4.74
1gybH1 PHE  45 HB2    0.04  -0.02   0.00  -0.04   3.15     3.13
1gybH1 PHE  45 HB3    0.02   0.03   0.04  -0.04   3.06     3.11
1gybH1 PHE  45 HD2   -0.02   0.05   0.07  -0.04   7.28     7.34
1gybH1 PHE  45 HE2   -0.02  -0.00  -0.01  -0.04   7.38     7.31
1gybH1 PHE  45 HZ    -0.01  -0.01  -0.02  -0.04   7.32     7.24