=============================================================================
          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
=============================================================================
1aqwH1 CYS 2402 HA     0.00  -0.07   0.17  -0.75   4.58     3.93
1aqwH1 CYS 2402 HB2    0.00  -0.01  -0.01  -0.04   2.97     2.91
1aqwH1 CYS 2402 HB3    0.00  -0.05  -0.02  -0.04   2.97     2.86
1aqwH1 GLY 2403 H      0.00   0.02   0.00  -0.55   8.43     7.91
1aqwH1 GLY 2403 HA2    0.00   0.01   0.17  -0.51   4.01     3.68
1aqwH1 GLY 2403 HA3    0.00   0.23   0.55  -0.51   4.01     4.28