=============================================================================
          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
=============================================================================
3mevD1 ALA   1 HA     0.00  -0.08   0.17  -0.75   4.34     3.68
3mevD1 ALA   1 HB3    0.00  -0.00  -0.06  -0.04   1.41     1.31
3mevD1 ALA   2 H      0.00   0.10   0.06  -0.55   8.40     8.02
3mevD1 ALA   2 HA     0.00   0.11   0.79  -0.75   4.34     4.48
3mevD1 ALA   2 HB3    0.00   0.00   0.10  -0.04   1.41     1.47
3mevD1 THR   3 H      0.00   0.16   0.01  -0.55   8.28     7.90
3mevD1 THR   3 HA     0.00   0.20   0.47  -0.75   4.39     4.31
3mevD1 THR   3 HB     0.00   0.00   0.03  -0.04   4.32     4.31
3mevD1 THR   3 HG23   0.00   0.05  -0.13  -0.04   1.22     1.10