=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 0 rings

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3fntI1 VAL   2 HA     0.00  -0.06   0.22  -0.75   4.13     3.54
3fntI1 VAL   2 HB     0.00  -0.02   0.16  -0.04   2.12     2.23
3fntI1 VAL   2 HG13   0.00  -0.00  -0.01  -0.04   0.97     0.92
3fntI1 VAL   2 HG23   0.00  -0.01   0.04  -0.04   0.95     0.94
3fntI1 VAL   3 H      0.00   0.19   0.02  -0.55   8.24     7.90
3fntI1 VAL   3 HA     0.00   0.18   0.58  -0.75   4.13     4.14
3fntI1 VAL   3 HB     0.00   0.05   0.06  -0.04   2.12     2.19
3fntI1 VAL   3 HG13   0.00   0.02  -0.15  -0.04   0.97     0.80
3fntI1 VAL   3 HG23   0.00  -0.00   0.03  -0.04   0.95     0.93
3fntI1 ALA   5 HA     0.00   0.00   0.04  -0.75   4.34     3.63
3fntI1 ALA   5 HB3    0.00  -0.00   0.02  -0.04   1.41     1.39