=============================================================================
          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
=============================================================================
2dkoI1 ASP   1 HA     0.00  -0.08   0.23  -0.75   4.63     4.02
2dkoI1 ASP   1 HB2    0.00  -0.03   0.03  -0.04   2.71     2.68
2dkoI1 ASP   1 HB3    0.00   0.01  -0.09  -0.04   2.70     2.58
2dkoI1 GLU   2 H      0.00   0.22   0.16  -0.55   8.60     8.44
2dkoI1 GLU   2 HA     0.00   0.14   0.76  -0.75   4.29     4.44
2dkoI1 GLU   2 HB2    0.00  -0.03  -0.03  -0.04   2.09     1.98
2dkoI1 GLU   2 HB3    0.00   0.03   0.04  -0.04   1.99     2.02
2dkoI1 GLU   2 HG2    0.00   0.10  -0.12  -0.04   2.34     2.28
2dkoI1 GLU   2 HG3    0.00  -0.02  -0.34  -0.04   2.34     1.94
2dkoI1 VAL   3 H      0.00   0.17   0.04  -0.55   8.24     7.91
2dkoI1 VAL   3 HA     0.00   0.28   0.81  -0.75   4.13     4.47
2dkoI1 VAL   3 HB     0.00   0.02   0.06  -0.04   2.12     2.17
2dkoI1 VAL   3 HG13   0.00   0.01  -0.10  -0.04   0.97     0.85
2dkoI1 VAL   3 HG23   0.00   0.01   0.05  -0.04   0.95     0.97