=============================================================================
          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
=============================================================================
3mevC1 ALA   1 HA     0.00  -0.06   0.16  -0.75   4.34     3.68
3mevC1 ALA   1 HB3    0.00  -0.01  -0.05  -0.04   1.41     1.31
3mevC1 ALA   2 H      0.00   0.12   0.08  -0.55   8.40     8.05
3mevC1 ALA   2 HA     0.00   0.15   0.86  -0.75   4.34     4.59
3mevC1 ALA   2 HB3    0.00   0.00   0.09  -0.04   1.41     1.46
3mevC1 THR   3 H      0.00   0.17  -0.02  -0.55   8.28     7.89
3mevC1 THR   3 HA     0.00   0.24   0.68  -0.75   4.39     4.56
3mevC1 THR   3 HB     0.00   0.01   0.04  -0.04   4.32     4.33
3mevC1 THR   3 HG23   0.00   0.03  -0.14  -0.04   1.22     1.07