=============================================================================
          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
=============================================================================
2z9iI1 THR   3 H      0.00   0.14   0.08  -0.55   8.28     7.95
2z9iI1 THR   3 HA     0.00   0.21   0.60  -0.75   4.39     4.45
2z9iI1 VAL   4 H      0.00   0.19   0.14  -0.55   8.24     8.02
2z9iI1 VAL   4 HA     0.00   0.23   0.71  -0.75   4.13     4.31
2z9iI1 VAL   4 HB     0.00   0.02  -0.05  -0.04   2.12     2.06
2z9iI1 VAL   4 HG13   0.00   0.02   0.07  -0.04   0.97     1.01
2z9iI1 VAL   4 HG23   0.00   0.00   0.03  -0.04   0.95     0.95