=============================================================================
          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
=============================================================================
4tmnI1 LEU   3 HA     0.00  -0.04   0.19  -0.75   4.35     3.75
4tmnI1 LEU   3 HB2    0.00  -0.01   0.03  -0.04   1.64     1.62
4tmnI1 LEU   3 HB3    0.00  -0.05  -0.02  -0.04   1.64     1.53
4tmnI1 LEU   3 HG     0.00  -0.00  -0.22  -0.04   1.64     1.37
4tmnI1 LEU   3 HD13   0.00  -0.00   0.02  -0.04   0.93     0.91
4tmnI1 LEU   3 HD23   0.00  -0.01  -0.05  -0.04   0.89     0.79
4tmnI1 ALA   4 H      0.00   0.25   0.00  -0.55   8.40     8.10
4tmnI1 ALA   4 HA     0.00   0.19   0.59  -0.75   4.34     4.36
4tmnI1 ALA   4 HB3    0.00   0.01  -0.01  -0.04   1.41     1.37