=============================================================================
          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
=============================================================================
2x2cR1 VAL   9 HA     0.00  -0.01   0.04  -0.75   4.13     3.41
2x2cR1 VAL   9 HB     0.00  -0.01   0.01  -0.04   2.12     2.08
2x2cR1 VAL   9 HG13   0.00   0.01  -0.02  -0.04   0.97     0.91
2x2cR1 VAL   9 HG23   0.00  -0.01   0.01  -0.04   0.95     0.91
2x2cR1 ALA  11 HA     0.00   0.00   0.01  -0.75   4.34     3.59
2x2cR1 ALA  11 HB3    0.00  -0.00   0.05  -0.04   1.41     1.42