=============================================================================
          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
=============================================================================
2kqlA16 GLY   1 HA2    0.00   0.00   0.00  -0.51   4.01     3.50
2kqlA16 GLY   1 HA3    0.00  -0.00   0.00  -0.51   4.01     3.50
2kqlA16 GLY  25 H      0.00   0.12   0.00  -0.55   8.43     8.00
2kqlA16 GLY  25 HA2    0.00   0.00   0.01  -0.51   4.01     3.51
2kqlA16 GLY  25 HA3    0.00  -0.00   0.00  -0.51   4.01     3.50