=============================================================================
          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
=============================================================================
3k26B1 GLN   5 HA     0.00   0.00   0.00  -0.75   4.36     3.61
3k26B1 GLN   5 HB2    0.00   0.00   0.00  -0.04   2.15     2.11
3k26B1 GLN   5 HB3    0.00   0.00   0.00  -0.04   2.02     1.98
3k26B1 GLN   5 HG2    0.00   0.00   0.00  -0.04   2.40     2.36
3k26B1 GLN   5 HG3    0.00   0.00   0.00  -0.04   2.39     2.35
3k26B1 GLN   5 HE21   0.00   0.00   0.00  -0.04   6.97     6.93
3k26B1 GLN   5 HE22   0.00   0.00   0.00  -0.04   7.69     7.65