=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 1 rings
        ring        int.           center             anis.    iso.
       PHE  3     1.000    21.247   7.133  32.640  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1gtj31 ILE   2 HA    -0.12  -0.05   0.15  -0.75   4.18     3.40
1gtj31 ILE   2 HB    -0.37  -0.03   0.00  -0.04   1.89     1.45
1gtj31 ILE   2 HG12  -0.00  -0.01   0.02  -0.04   1.49     1.46
1gtj31 ILE   2 HG13  -0.01  -0.02   0.02  -0.04   1.21     1.16
1gtj31 ILE   2 HG23   0.04   0.03  -0.15  -0.04   0.93     0.80
1gtj31 ILE   2 HD13   0.12  -0.00  -0.01  -0.04   0.88     0.95
1gtj31 ALA   3 H     -0.16   0.06   0.07  -0.55   8.40     7.82
1gtj31 ALA   3 HA    -0.31   0.02   0.81  -0.75   4.34     4.11
1gtj31 ALA   3 HB3   -0.07  -0.01   0.09  -0.04   1.41     1.38
1gtj31 PHE   4 H     -0.16   0.14   0.06  -0.55   8.34     7.83
1gtj31 PHE   4 HA     0.00   0.28   0.76  -0.75   4.62     4.90
1gtj31 PHE   4 HB2    0.00  -0.01   0.08  -0.04   3.15     3.18
1gtj31 PHE   4 HB3    0.00  -0.00   0.04  -0.04   3.06     3.06
1gtj31 PHE   4 HD2    0.00   0.00  -0.11  -0.04   7.28     7.13
1gtj31 PHE   4 HE2    0.00  -0.03  -0.05  -0.04   7.38     7.26
1gtj31 PHE   4 HZ     0.00  -0.02  -0.02  -0.04   7.32     7.23