=============================================================================
          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
=============================================================================
1aqwF1 CYS 2202 HA     0.00  -0.07   0.18  -0.75   4.58     3.93
1aqwF1 CYS 2202 HB2    0.00  -0.01  -0.03  -0.04   2.97     2.89
1aqwF1 CYS 2202 HB3    0.00  -0.05  -0.02  -0.04   2.97     2.86
1aqwF1 GLY 2203 H      0.00   0.04   0.00  -0.55   8.43     7.92
1aqwF1 GLY 2203 HA2    0.00   0.01   0.16  -0.51   4.01     3.67
1aqwF1 GLY 2203 HA3    0.00   0.28   0.73  -0.51   4.01     4.51