=============================================================================
          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
=============================================================================
3matI1 ALA   2 HA     0.00  -0.06   0.17  -0.75   4.34     3.70
3matI1 ALA   2 HB3    0.00  -0.02   0.01  -0.04   1.41     1.37
3matI1 LEU   3 H      0.00   0.15   0.00  -0.55   8.37     7.98
3matI1 LEU   3 HA     0.00   0.31   0.84  -0.75   4.35     4.75
3matI1 LEU   3 HB2    0.00  -0.02   0.04  -0.04   1.64     1.62
3matI1 LEU   3 HB3    0.00   0.00   0.05  -0.04   1.64     1.66
3matI1 LEU   3 HG     0.00  -0.02  -0.27  -0.04   1.64     1.31
3matI1 LEU   3 HD13   0.00  -0.01  -0.03  -0.04   0.93     0.85
3matI1 LEU   3 HD23   0.00   0.19  -0.06  -0.04   0.89     0.98