=============================================================================
          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
=============================================================================
3cysB1 VAL 205 H      0.00   0.08   0.02  -0.55   8.24     7.79
3cysB1 VAL 205 HA     0.00   0.01   0.05  -0.75   4.13     3.43
3cysB1 VAL 205 HB     0.00  -0.01   0.01  -0.04   2.12     2.08
3cysB1 VAL 205 HG13   0.00   0.00  -0.01  -0.04   0.97     0.92
3cysB1 VAL 205 HG23   0.00  -0.00   0.01  -0.04   0.95     0.92
3cysB1 ALA 207 H      0.00   0.06   0.00  -0.55   8.40     7.92
3cysB1 ALA 207 HA     0.00   0.01   0.01  -0.75   4.34     3.60
3cysB1 ALA 207 HB3    0.00   0.00   0.04  -0.04   1.41     1.41