=============================================================================
          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
=============================================================================
1by5B1 GLY 804 HA2    0.00  -0.02   0.04  -0.51   4.01     3.52
1by5B1 GLY 804 HA3    0.00   0.10  -0.17  -0.51   4.01     3.44
1by5B1 GLY 805 HA2    0.00   0.07   0.21  -0.51   4.01     3.78
1by5B1 GLY 805 HA3    0.00  -0.08   0.02  -0.51   4.01     3.43
1by5B1 GLY 806 HA2    0.00  -0.14  -0.02  -0.51   4.01     3.34
1by5B1 GLY 806 HA3    0.00  -0.07  -0.40  -0.51   4.01     3.02