=============================================================================
          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
=============================================================================
1gecI1 LEU   2 HA     0.00  -0.11   0.23  -0.75   4.35     3.72
1gecI1 LEU   2 HB2    0.00  -0.01   0.05  -0.04   1.64     1.63
1gecI1 LEU   2 HB3    0.00  -0.02   0.08  -0.04   1.64     1.66
1gecI1 LEU   2 HG     0.00  -0.01  -0.12  -0.04   1.64     1.47
1gecI1 LEU   2 HD13   0.00   0.00  -0.02  -0.04   0.93     0.87
1gecI1 LEU   2 HD23   0.00  -0.00  -0.01  -0.04   0.89     0.84
1gecI1 VAL   3 H      0.00   0.20   0.00  -0.55   8.24     7.89
1gecI1 VAL   3 HA     0.00   0.24   0.71  -0.75   4.13     4.33
1gecI1 VAL   3 HB     0.00  -0.00   0.04  -0.04   2.12     2.12
1gecI1 VAL   3 HG13   0.00   0.02  -0.20  -0.04   0.97     0.75
1gecI1 VAL   3 HG23   0.00  -0.00   0.02  -0.04   0.95     0.93