=============================================================================
          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
=============================================================================
1b51B1 LYS   1 HA     0.00  -0.09   0.19  -0.75   4.32     3.67
1b51B1 LYS   1 HB2    0.00   0.02  -0.01  -0.04   1.87     1.84
1b51B1 LYS   1 HB3    0.00  -0.02   0.04  -0.04   1.79     1.77
1b51B1 LYS   1 HG2    0.00  -0.02   0.01  -0.04   1.46     1.41
1b51B1 LYS   1 HG3    0.00   0.01  -0.15  -0.04   1.46     1.28
1b51B1 LYS   1 HD2    0.00  -0.01  -0.04  -0.04   1.69     1.60
1b51B1 LYS   1 HD3    0.00   0.01  -0.04  -0.04   1.68     1.62
1b51B1 LYS   1 HE2    0.00  -0.00  -0.01  -0.04   2.99     2.94
1b51B1 LYS   1 HE3    0.00  -0.00   0.01  -0.04   2.99     2.95
1b51B1 SER   2 H      0.00   0.06   0.09  -0.55   8.46     8.06
1b51B1 SER   2 HA     0.00   0.09   0.53  -0.75   4.49     4.35
1b51B1 SER   2 HB2    0.00  -0.02   0.11  -0.04   3.95     3.99
1b51B1 SER   2 HB3    0.00  -0.02   0.06  -0.04   3.93     3.93
1b51B1 LYS   3 H      0.00   0.20   0.08  -0.55   8.42     8.15
1b51B1 LYS   3 HA     0.00   0.33   0.98  -0.75   4.32     4.88
1b51B1 LYS   3 HB2    0.00   0.10  -0.19  -0.04   1.87     1.73
1b51B1 LYS   3 HB3    0.00  -0.01   0.05  -0.04   1.79     1.79
1b51B1 LYS   3 HG2    0.00  -0.03   0.04  -0.04   1.46     1.43
1b51B1 LYS   3 HG3    0.00   0.04   0.01  -0.04   1.46     1.47
1b51B1 LYS   3 HD2    0.00   0.03  -0.03  -0.04   1.69     1.65
1b51B1 LYS   3 HD3    0.00  -0.02   0.00  -0.04   1.68     1.62
1b51B1 LYS   3 HE2    0.00   0.01  -0.01  -0.04   2.99     2.94
1b51B1 LYS   3 HE3    0.00  -0.01  -0.00  -0.04   2.99     2.93