=============================================================================
          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
=============================================================================
1cwzA1 GLY   4 H      0.00   0.08   0.03  -0.55   8.43     7.99
1cwzA1 GLY   4 HA2    0.00  -0.01   0.03  -0.51   4.01     3.52
1cwzA1 GLY   4 HA3    0.00   0.11   0.00  -0.51   4.01     3.61
1cwzA1 GLY   7 H      0.00   0.10  -0.04  -0.55   8.43     7.94
1cwzA1 GLY   7 HA2    0.00  -0.07   0.19  -0.51   4.01     3.62
1cwzA1 GLY   7 HA3    0.00  -0.02   0.25  -0.51   4.01     3.72
1cwzA1 GLY   8 H      0.00   0.13  -0.20  -0.55   8.43     7.82
1cwzA1 GLY   8 HA2    0.00   0.03   0.33  -0.51   4.01     3.86
1cwzA1 GLY   8 HA3    0.00   0.15   0.22  -0.51   4.01     3.86
1cwzA1 CYS   9 H      0.00   0.14  -0.01  -0.55   8.50     8.09
1cwzA1 CYS   9 HA     0.00   0.06   0.17  -0.75   4.58     4.05
1cwzA1 CYS   9 HB2    0.00  -0.02  -0.18  -0.04   2.97     2.72
1cwzA1 CYS   9 HB3    0.00   0.29   0.47  -0.04   2.97     3.69