=============================================================================
          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
=============================================================================
1xxvE1 ASP 103 HA     0.00  -0.03   0.20  -0.75   4.63     4.04
1xxvE1 ASP 103 HB2    0.00  -0.11   0.10  -0.04   2.71     2.67
1xxvE1 ASP 103 HB3    0.00  -0.00  -0.03  -0.04   2.70     2.62
1xxvE1 GLU 104 H      0.00   0.19   0.00  -0.55   8.60     8.24
1xxvE1 GLU 104 HA     0.00   0.24   0.70  -0.75   4.29     4.48
1xxvE1 GLU 104 HB2    0.00  -0.00   0.06  -0.04   2.09     2.11
1xxvE1 GLU 104 HB3    0.00   0.01   0.06  -0.04   1.99     2.01
1xxvE1 GLU 104 HG2    0.00   0.05  -0.07  -0.04   2.34     2.28
1xxvE1 GLU 104 HG3    0.00  -0.04  -0.25  -0.04   2.34     2.01