=============================================================================
          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
=============================================================================
1xxvC1 ASP 103 HA     0.00  -0.06   0.16  -0.75   4.63     3.98
1xxvC1 ASP 103 HB2    0.00  -0.01   0.04  -0.04   2.71     2.70
1xxvC1 ASP 103 HB3    0.00  -0.02  -0.09  -0.04   2.70     2.56
1xxvC1 GLU 104 H      0.00   0.17   0.00  -0.55   8.60     8.22
1xxvC1 GLU 104 HA     0.00   0.29   0.76  -0.75   4.29     4.58
1xxvC1 GLU 104 HB2    0.00  -0.02   0.04  -0.04   2.09     2.07
1xxvC1 GLU 104 HB3    0.00  -0.00   0.06  -0.04   1.99     2.01
1xxvC1 GLU 104 HG2    0.00   0.05  -0.02  -0.04   2.34     2.33
1xxvC1 GLU 104 HG3    0.00   0.03  -0.30  -0.04   2.34     2.03