=============================================================================
          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
=============================================================================
2x7kB1 VAL   9 H      0.00   0.10   0.03  -0.55   8.24     7.81
2x7kB1 VAL   9 HA     0.00   0.01   0.04  -0.75   4.13     3.43
2x7kB1 VAL   9 HB     0.00  -0.01   0.01  -0.04   2.12     2.08
2x7kB1 VAL   9 HG13   0.00   0.00  -0.02  -0.04   0.97     0.91
2x7kB1 VAL   9 HG23   0.00  -0.00   0.01  -0.04   0.95     0.92
2x7kB1 ALA  11 H      0.00   0.05   0.00  -0.55   8.40     7.91
2x7kB1 ALA  11 HA     0.00   0.00  -0.00  -0.75   4.34     3.58
2x7kB1 ALA  11 HB3    0.00   0.00   0.05  -0.04   1.41     1.42