=============================================================================
          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
=============================================================================
1bqyE1 GLU   1 HA     0.00  -0.03   0.14  -0.75   4.29     3.64
1bqyE1 GLU   1 HB2    0.00   0.00   0.04  -0.04   2.09     2.09
1bqyE1 GLU   1 HB3    0.00  -0.01  -0.08  -0.04   1.99     1.86
1bqyE1 GLU   1 HG2    0.00  -0.04   0.10  -0.04   2.34     2.36
1bqyE1 GLU   1 HG3    0.00   0.03   0.03  -0.04   2.34     2.36
1bqyE1 GLY   2 H      0.00   0.10   0.00  -0.55   8.43     7.98
1bqyE1 GLY   2 HA2    0.00   0.16   0.33  -0.51   4.01     3.99
1bqyE1 GLY   2 HA3    0.00   0.08   0.16  -0.51   4.01     3.74