=============================================================================
          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    24.755 121.887  24.025  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1sioD1 ILE   2 HA    -0.14  -0.02   0.19  -0.75   4.18     3.46
1sioD1 ILE   2 HB    -0.15  -0.04   0.00  -0.04   1.89     1.66
1sioD1 ILE   2 HG12  -0.01   0.00   0.02  -0.04   1.49     1.46
1sioD1 ILE   2 HG13  -0.02  -0.02   0.03  -0.04   1.21     1.16
1sioD1 ILE   2 HG23  -0.03  -0.00  -0.20  -0.04   0.93     0.66
1sioD1 ILE   2 HD13   0.10  -0.00  -0.01  -0.04   0.88     0.92
1sioD1 PRO   3 HA    -0.36   0.04   0.73  -0.51   4.44     4.34
1sioD1 PRO   3 HB2   -0.08  -0.02   0.01  -0.04   2.28     2.15
1sioD1 PRO   3 HB3   -0.11   0.03   0.07  -0.04   2.02     1.97
1sioD1 PRO   3 HG2   -0.06   0.02   0.12  -0.04   2.03     2.07
1sioD1 PRO   3 HG3   -0.07   0.02   0.07  -0.04   2.03     2.02
1sioD1 PRO   3 HD2   -0.10   0.09   0.17  -0.04   3.68     3.80
1sioD1 PRO   3 HD3   -0.11   0.13   0.14  -0.04   3.65     3.76
1sioD1 PHE   4 H     -0.22   0.16   0.08  -0.55   8.34     7.81
1sioD1 PHE   4 HA     0.00   0.23   0.63  -0.75   4.62     4.72
1sioD1 PHE   4 HB2    0.00  -0.01   0.09  -0.04   3.15     3.18
1sioD1 PHE   4 HB3    0.00  -0.01   0.05  -0.04   3.06     3.06
1sioD1 PHE   4 HD2    0.00   0.00  -0.12  -0.04   7.28     7.12
1sioD1 PHE   4 HE2    0.00  -0.03  -0.07  -0.04   7.38     7.24
1sioD1 PHE   4 HZ     0.00  -0.03  -0.03  -0.04   7.32     7.22