=============================================================================
          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
=============================================================================
10gsH1 GLU   1 HA     0.00   0.00   0.00  -0.75   4.29     3.54
10gsH1 GLU   1 HB2    0.00   0.00   0.00  -0.04   2.09     2.05
10gsH1 GLU   1 HB3    0.00   0.00   0.00  -0.04   1.99     1.95
10gsH1 GLU   1 HG2    0.00   0.00   0.00  -0.04   2.34     2.30
10gsH1 GLU   1 HG3    0.00   0.00   0.00  -0.04   2.34     2.30