=============================================================================
          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
=============================================================================
2c2oI1 ASP 902 HA     0.00  -0.08   0.22  -0.75   4.63     4.02
2c2oI1 ASP 902 HB2    0.00  -0.03   0.01  -0.04   2.71     2.65
2c2oI1 ASP 902 HB3    0.00   0.01  -0.09  -0.04   2.70     2.59
2c2oI1 GLU 903 H      0.00   0.20   0.15  -0.55   8.60     8.41
2c2oI1 GLU 903 HA     0.00   0.14   0.80  -0.75   4.29     4.48
2c2oI1 GLU 903 HB2    0.00  -0.01  -0.01  -0.04   2.09     2.03
2c2oI1 GLU 903 HB3    0.00   0.00   0.07  -0.04   1.99     2.02
2c2oI1 GLU 903 HG2    0.00   0.12  -0.18  -0.04   2.34     2.23
2c2oI1 GLU 903 HG3    0.00  -0.04  -0.27  -0.04   2.34     1.98
2c2oI1 VAL 904 H      0.00   0.12   0.04  -0.55   8.24     7.85
2c2oI1 VAL 904 HA     0.00   0.24   0.65  -0.75   4.13     4.27
2c2oI1 VAL 904 HB     0.00   0.03   0.06  -0.04   2.12     2.16
2c2oI1 VAL 904 HG13   0.00   0.01  -0.08  -0.04   0.97     0.86
2c2oI1 VAL 904 HG23   0.00   0.00   0.06  -0.04   0.95     0.97