=============================================================================
          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
=============================================================================
1xxpC1 ALA 102 HA     0.00  -0.00   0.20  -0.75   4.34     3.79
1xxpC1 ALA 102 HB3    0.00   0.00   0.01  -0.04   1.41     1.38
1xxpC1 ASP 103 H      0.00   0.25   0.01  -0.55   8.40     8.11
1xxpC1 ASP 103 HA     0.00   0.17   0.78  -0.75   4.63     4.83
1xxpC1 ASP 103 HB2    0.00   0.00   0.09  -0.04   2.71     2.76
1xxpC1 ASP 103 HB3    0.00   0.00   0.22  -0.04   2.70     2.88
1xxpC1 GLU 104 H      0.00   0.17  -0.43  -0.55   8.60     7.79
1xxpC1 GLU 104 HA     0.00   0.07   0.11  -0.75   4.29     3.71
1xxpC1 GLU 104 HB2    0.00   0.05   0.00  -0.04   2.09     2.11
1xxpC1 GLU 104 HB3    0.00   0.02  -0.02  -0.04   1.99     1.95
1xxpC1 GLU 104 HG2    0.00   0.00   0.02  -0.04   2.34     2.33
1xxpC1 GLU 104 HG3    0.00   0.01   0.01  -0.04   2.34     2.32