=============================================================================
          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
=============================================================================
1xxvD1 ASP   1 HA     0.00   0.03   0.12  -0.75   4.63     4.02
1xxvD1 ASP   1 HB2    0.00  -0.15   0.16  -0.04   2.71     2.68
1xxvD1 ASP   1 HB3    0.00   0.07   0.06  -0.04   2.70     2.78
1xxvD1 ALA   2 H      0.00   0.11   0.08  -0.55   8.40     8.04
1xxvD1 ALA   2 HA     0.00   0.12   0.48  -0.75   4.34     4.18
1xxvD1 ALA   2 HB3    0.00   0.00   0.09  -0.04   1.41     1.46
1xxvD1 ASP   3 H      0.00   0.07  -0.19  -0.55   8.40     7.73
1xxvD1 ASP   3 HA     0.00   0.24   0.83  -0.75   4.63     4.95
1xxvD1 ASP   3 HB2    0.00  -0.01   0.07  -0.04   2.71     2.73
1xxvD1 ASP   3 HB3    0.00   0.02   0.16  -0.04   2.70     2.85
1xxvD1 GLU   4 H      0.00   0.38  -0.50  -0.55   8.60     7.93
1xxvD1 GLU   4 HA     0.00   0.13   0.33  -0.75   4.29     3.99
1xxvD1 GLU   4 HB2    0.00  -0.05   0.03  -0.04   2.09     2.03
1xxvD1 GLU   4 HB3    0.00   0.24  -0.03  -0.04   1.99     2.17
1xxvD1 GLU   4 HG2    0.00   0.23   0.02  -0.04   2.34     2.55
1xxvD1 GLU   4 HG3    0.00  -0.08   0.01  -0.04   2.34     2.23