=============================================================================
          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
=============================================================================
1gvvI1 GLU 402 HA     0.00  -0.00   0.03  -0.75   4.29     3.57
1gvvI1 GLU 402 HB2    0.00  -0.02   0.01  -0.04   2.09     2.04
1gvvI1 GLU 402 HB3    0.00  -0.01   0.01  -0.04   1.99     1.95
1gvvI1 GLU 402 HG2    0.00   0.05  -0.03  -0.04   2.34     2.33
1gvvI1 GLU 402 HG3    0.00  -0.01  -0.01  -0.04   2.34     2.28
1gvvI1 LEU 404 HA     0.00   0.02   0.14  -0.75   4.35     3.75
1gvvI1 LEU 404 HB2    0.00  -0.00   0.03  -0.04   1.64     1.63
1gvvI1 LEU 404 HB3    0.00  -0.01   0.03  -0.04   1.64     1.62
1gvvI1 LEU 404 HG     0.00   0.00   0.02  -0.04   1.64     1.62
1gvvI1 LEU 404 HD13   0.00   0.00   0.02  -0.04   0.93     0.91
1gvvI1 LEU 404 HD23   0.00  -0.00   0.01  -0.04   0.89     0.86