=============================================================================
          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
=============================================================================
1aqwE1 CYS 2102 HA     0.00  -0.07   0.17  -0.75   4.58     3.93
1aqwE1 CYS 2102 HB2    0.00  -0.01   0.00  -0.04   2.97     2.92
1aqwE1 CYS 2102 HB3    0.00  -0.04   0.00  -0.04   2.97     2.89
1aqwE1 GLY 2103 H      0.00   0.07   0.00  -0.55   8.43     7.95
1aqwE1 GLY 2103 HA2    0.00   0.01   0.12  -0.51   4.01     3.64
1aqwE1 GLY 2103 HA3    0.00   0.29   0.76  -0.51   4.01     4.56