=============================================================================
          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     6.934  76.503  46.115  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1sioF1 ILE   2 HA    -0.12  -0.03   0.19  -0.75   4.18     3.47
1sioF1 ILE   2 HB    -0.17  -0.05   0.02  -0.04   1.89     1.65
1sioF1 ILE   2 HG12  -0.01   0.01   0.02  -0.04   1.49     1.46
1sioF1 ILE   2 HG13  -0.03  -0.02   0.03  -0.04   1.21     1.14
1sioF1 ILE   2 HG23  -0.08  -0.01  -0.29  -0.04   0.93     0.51
1sioF1 ILE   2 HD13   0.08  -0.01  -0.01  -0.04   0.88     0.90
1sioF1 PRO   3 HA    -0.35   0.11   0.73  -0.51   4.44     4.42
1sioF1 PRO   3 HB2   -0.06  -0.04  -0.05  -0.04   2.28     2.09
1sioF1 PRO   3 HB3   -0.10   0.02   0.07  -0.04   2.02     1.98
1sioF1 PRO   3 HG2   -0.05   0.01   0.07  -0.04   2.03     2.03
1sioF1 PRO   3 HG3   -0.06   0.02   0.07  -0.04   2.03     2.02
1sioF1 PRO   3 HD2   -0.08   0.08   0.17  -0.04   3.68     3.81
1sioF1 PRO   3 HD3   -0.09   0.12   0.15  -0.04   3.65     3.78
1sioF1 PHE   4 H     -0.14   0.13   0.08  -0.55   8.34     7.85
1sioF1 PHE   4 HA     0.00   0.28   0.75  -0.75   4.62     4.90
1sioF1 PHE   4 HB2    0.00  -0.02   0.09  -0.04   3.15     3.18
1sioF1 PHE   4 HB3    0.00  -0.00   0.05  -0.04   3.06     3.07
1sioF1 PHE   4 HD2    0.00   0.00  -0.10  -0.04   7.28     7.14
1sioF1 PHE   4 HE2    0.00  -0.03  -0.05  -0.04   7.38     7.25
1sioF1 PHE   4 HZ     0.00  -0.03  -0.03  -0.04   7.32     7.23