=============================================================================
          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
=============================================================================
1s4vC1 LEU 502 HA     0.00   0.00   0.00  -0.75   4.35     3.60
1s4vC1 LEU 502 HB2    0.00   0.00   0.00  -0.04   1.64     1.60
1s4vC1 LEU 502 HB3    0.00   0.00   0.00  -0.04   1.64     1.60
1s4vC1 LEU 502 HG     0.00   0.00   0.00  -0.04   1.64     1.60
1s4vC1 LEU 502 HD13   0.00   0.00   0.00  -0.04   0.93     0.89
1s4vC1 LEU 502 HD23   0.00   0.00   0.00  -0.04   0.89     0.85