=============================================================================
          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
=============================================================================
1p04P1 ALA   4 HA     0.00  -0.08   0.22  -0.75   4.34     3.72
1p04P1 ALA   4 HB3    0.00  -0.02  -0.03  -0.04   1.41     1.32
1p04P1 ALA   3 H      0.00   0.21   0.15  -0.55   8.40     8.22
1p04P1 ALA   3 HA     0.00   0.18   0.77  -0.75   4.34     4.53
1p04P1 ALA   3 HB3    0.00   0.01  -0.03  -0.04   1.41     1.35
1p04P1 PRO   2 HA     0.00   0.14   0.33  -0.51   4.44     4.40
1p04P1 PRO   2 HB2    0.00   0.03   0.07  -0.04   2.28     2.34
1p04P1 PRO   2 HB3    0.00   0.04   0.05  -0.04   2.02     2.06
1p04P1 PRO   2 HG2    0.00   0.04   0.06  -0.04   2.03     2.09
1p04P1 PRO   2 HG3    0.00   0.06   0.03  -0.04   2.03     2.08
1p04P1 PRO   2 HD2    0.00   0.11   0.13  -0.04   3.68     3.88
1p04P1 PRO   2 HD3    0.00   0.19   0.20  -0.04   3.65     4.01