=============================================================================
          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
=============================================================================
2q33B1 GLY   1 HA2    0.00  -0.01   0.00  -0.51   4.01     3.49
2q33B1 GLY   1 HA3    0.00   0.00   0.00  -0.51   4.01     3.50
2q33B1 GLY   9 HA2    0.00  -0.01   0.01  -0.51   4.01     3.50
2q33B1 GLY   9 HA3    0.00  -0.01   0.01  -0.51   4.01     3.50
2q33B1 GLY  16 HA2    0.00   0.00   0.02  -0.51   4.01     3.53
2q33B1 GLY  16 HA3    0.00  -0.00   0.04  -0.51   4.01     3.53
2q33B1 GLY  27 HA2    0.00  -0.08   0.03  -0.51   4.01     3.45
2q33B1 GLY  27 HA3    0.00   0.15   0.02  -0.51   4.01     3.67
2q33B1 GLY  30 HA2    0.00  -0.06   0.10  -0.51   4.01     3.54
2q33B1 GLY  30 HA3    0.00   0.02  -0.34  -0.51   4.01     3.19