=============================================================================
          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
=============================================================================
3jvkC1 GLY   1 HA2    0.00  -0.03   0.13  -0.51   4.01     3.60
3jvkC1 GLY   1 HA3    0.00  -0.09   0.18  -0.51   4.01     3.60
3jvkC1 GLY   2 H      0.00   0.07   0.04  -0.55   8.43     7.99
3jvkC1 GLY   2 HA2    0.00   0.06   0.15  -0.51   4.01     3.71
3jvkC1 GLY   2 HA3    0.00   0.18   0.48  -0.51   4.01     4.16
3jvkC1 ALA   4 HA     0.00   0.02  -0.20  -0.75   4.34     3.40
3jvkC1 ALA   4 HB3    0.00   0.00   0.05  -0.04   1.41     1.42