=============================================================================
          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
=============================================================================
3d2yB1 ALA   2 HA     0.00  -0.00   0.02  -0.75   4.34     3.61
3d2yB1 ALA   2 HB3    0.00   0.00   0.01  -0.04   1.41     1.38
3d2yB1 LYS   4 HA     0.00  -0.00   0.03  -0.75   4.32     3.59
3d2yB1 LYS   4 HB2    0.00  -0.01   0.01  -0.04   1.87     1.84
3d2yB1 LYS   4 HB3    0.00   0.00   0.02  -0.04   1.79     1.78
3d2yB1 LYS   4 HG2    0.00   0.01   0.03  -0.04   1.46     1.46
3d2yB1 LYS   4 HG3    0.00  -0.00   0.01  -0.04   1.46     1.43
3d2yB1 LYS   4 HD2    0.00  -0.01   0.01  -0.04   1.69     1.65
3d2yB1 LYS   4 HD3    0.00   0.00   0.01  -0.04   1.68     1.65
3d2yB1 LYS   4 HE2    0.00   0.01   0.01  -0.04   2.99     2.96
3d2yB1 LYS   4 HE3    0.00  -0.00   0.01  -0.04   2.99     2.95