=============================================================================
          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
=============================================================================
2h5iC1 ASP   2 HA     0.00  -0.08   0.23  -0.75   4.63     4.02
2h5iC1 ASP   2 HB2    0.00  -0.02   0.03  -0.04   2.71     2.68
2h5iC1 ASP   2 HB3    0.00   0.00  -0.07  -0.04   2.70     2.59
2h5iC1 GLU   3 H      0.00   0.20   0.15  -0.55   8.60     8.41
2h5iC1 GLU   3 HA     0.00   0.18   0.82  -0.75   4.29     4.53
2h5iC1 GLU   3 HB2    0.00  -0.03  -0.05  -0.04   2.09     1.97
2h5iC1 GLU   3 HB3    0.00   0.00   0.05  -0.04   1.99     2.00
2h5iC1 GLU   3 HG2    0.00   0.15  -0.19  -0.04   2.34     2.25
2h5iC1 GLU   3 HG3    0.00  -0.03  -0.34  -0.04   2.34     1.93
2h5iC1 VAL   4 H      0.00   0.16   0.04  -0.55   8.24     7.89
2h5iC1 VAL   4 HA     0.00   0.31   0.87  -0.75   4.13     4.56
2h5iC1 VAL   4 HB     0.00   0.03   0.06  -0.04   2.12     2.17
2h5iC1 VAL   4 HG13   0.00   0.01  -0.13  -0.04   0.97     0.81
2h5iC1 VAL   4 HG23   0.00   0.01   0.05  -0.04   0.95     0.97