=============================================================================
          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
=============================================================================
1p05P1 ALA   4 HA     0.00  -0.07   0.20  -0.75   4.34     3.71
1p05P1 ALA   4 HB3    0.00  -0.02  -0.04  -0.04   1.41     1.31
1p05P1 ALA   3 H      0.00   0.18   0.15  -0.55   8.40     8.18
1p05P1 ALA   3 HA     0.00   0.23   0.90  -0.75   4.34     4.72
1p05P1 ALA   3 HB3    0.00   0.01  -0.05  -0.04   1.41     1.34
1p05P1 PRO   2 HA     0.00   0.13   0.30  -0.51   4.44     4.36
1p05P1 PRO   2 HB2    0.00   0.03   0.07  -0.04   2.28     2.34
1p05P1 PRO   2 HB3    0.00   0.04   0.05  -0.04   2.02     2.07
1p05P1 PRO   2 HG2    0.00   0.03   0.06  -0.04   2.03     2.08
1p05P1 PRO   2 HG3    0.00   0.05   0.05  -0.04   2.03     2.09
1p05P1 PRO   2 HD2    0.00   0.11   0.15  -0.04   3.68     3.90
1p05P1 PRO   2 HD3    0.00   0.21   0.18  -0.04   3.65     4.00