=============================================================================
          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
=============================================================================
2q3iD1 GLY   1 HA2    0.00  -0.04   0.04  -0.51   4.01     3.50
2q3iD1 GLY   1 HA3    0.00  -0.04   0.03  -0.51   4.01     3.48
2q3iD1 GLY   4 HA2    0.00   0.07  -0.35  -0.51   4.01     3.22
2q3iD1 GLY   4 HA3    0.00  -0.09   0.10  -0.51   4.01     3.51
2q3iD1 GLY   6 HA2    0.00  -0.04   0.06  -0.51   4.01     3.53
2q3iD1 GLY   6 HA3    0.00  -0.06   0.14  -0.51   4.01     3.58