=============================================================================
          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
=============================================================================
1ppgI1 ALA  15 HA     0.00  -0.07   0.18  -0.75   4.34     3.70
1ppgI1 ALA  15 HB3    0.00  -0.02   0.01  -0.04   1.41     1.36
1ppgI1 ALA  16 H      0.00   0.10   0.09  -0.55   8.40     8.05
1ppgI1 ALA  16 HA     0.00   0.26   1.06  -0.75   4.34     4.91
1ppgI1 ALA  16 HB3    0.00  -0.00   0.05  -0.04   1.41     1.41
1ppgI1 PRO  17 HA     0.00   0.10   0.18  -0.51   4.44     4.20
1ppgI1 PRO  17 HB2    0.00   0.01   0.06  -0.04   2.28     2.31
1ppgI1 PRO  17 HB3    0.00   0.03   0.04  -0.04   2.02     2.04
1ppgI1 PRO  17 HG2    0.00   0.01   0.06  -0.04   2.03     2.06
1ppgI1 PRO  17 HG3    0.00   0.04   0.05  -0.04   2.03     2.08
1ppgI1 PRO  17 HD2    0.00   0.12   0.24  -0.04   3.68     4.00
1ppgI1 PRO  17 HD3    0.00   0.24   0.03  -0.04   3.65     3.88