=============================================================================
          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
=============================================================================
5tmnI1 LEU   3 HA     0.00  -0.04   0.19  -0.75   4.35     3.74
5tmnI1 LEU   3 HB2    0.00  -0.01   0.04  -0.04   1.64     1.62
5tmnI1 LEU   3 HB3    0.00  -0.03  -0.01  -0.04   1.64     1.55
5tmnI1 LEU   3 HG     0.00  -0.00  -0.19  -0.04   1.64     1.40
5tmnI1 LEU   3 HD13   0.00  -0.00   0.04  -0.04   0.93     0.92
5tmnI1 LEU   3 HD23   0.00  -0.01  -0.04  -0.04   0.89     0.81
5tmnI1 LEU   4 H      0.00   0.30   0.00  -0.55   8.37     8.12
5tmnI1 LEU   4 HA     0.00   0.17   0.49  -0.75   4.35     4.26
5tmnI1 LEU   4 HB2    0.00  -0.01   0.05  -0.04   1.64     1.64
5tmnI1 LEU   4 HB3    0.00   0.10  -0.15  -0.04   1.64     1.55
5tmnI1 LEU   4 HG     0.00   0.00   0.02  -0.04   1.64     1.62
5tmnI1 LEU   4 HD13   0.00  -0.00  -0.01  -0.04   0.93     0.88
5tmnI1 LEU   4 HD23   0.00  -0.01  -0.13  -0.04   0.89     0.70