=============================================================================
          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
=============================================================================
1qxaB1 GLY 245 HA2    0.00  -0.04   0.20  -0.51   4.01     3.66
1qxaB1 GLY 245 HA3    0.00  -0.03   0.21  -0.51   4.01     3.67
1qxaB1 GLY 246 H      0.00   0.09   0.08  -0.55   8.43     8.06
1qxaB1 GLY 246 HA2    0.00   0.22   0.88  -0.51   4.01     4.60
1qxaB1 GLY 246 HA3    0.00  -0.01   0.31  -0.51   4.01     3.80
1qxaB1 GLY 247 H      0.00   0.16   0.05  -0.55   8.43     8.09
1qxaB1 GLY 247 HA2    0.00   0.04   0.20  -0.51   4.01     3.74
1qxaB1 GLY 247 HA3    0.00   0.13   0.30  -0.51   4.01     3.93