=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 0 rings

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        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1b52B1 LYS   1 HA     0.00  -0.10   0.21  -0.75   4.32     3.68
1b52B1 LYS   1 HB2    0.00   0.02  -0.01  -0.04   1.87     1.83
1b52B1 LYS   1 HB3    0.00  -0.02   0.03  -0.04   1.79     1.77
1b52B1 LYS   1 HG2    0.00  -0.02   0.00  -0.04   1.46     1.40
1b52B1 LYS   1 HG3    0.00   0.01  -0.21  -0.04   1.46     1.22
1b52B1 LYS   1 HD2    0.00  -0.01  -0.05  -0.04   1.69     1.59
1b52B1 LYS   1 HD3    0.00   0.02  -0.05  -0.04   1.68     1.61
1b52B1 LYS   1 HE2    0.00  -0.00  -0.01  -0.04   2.99     2.94
1b52B1 LYS   1 HE3    0.00  -0.01  -0.00  -0.04   2.99     2.94
1b52B1 THR   2 H      0.00   0.08   0.09  -0.55   8.28     7.90
1b52B1 THR   2 HA     0.00   0.10   0.37  -0.75   4.39     4.11
1b52B1 THR   2 HB     0.00  -0.03  -0.06  -0.04   4.32     4.19
1b52B1 THR   2 HG23   0.00   0.01   0.00  -0.04   1.22     1.19
1b52B1 LYS   3 H      0.00   0.13   0.11  -0.55   8.42     8.11
1b52B1 LYS   3 HA     0.00   0.26   0.80  -0.75   4.32     4.63
1b52B1 LYS   3 HB2    0.00   0.08  -0.03  -0.04   1.87     1.88
1b52B1 LYS   3 HB3    0.00  -0.01   0.08  -0.04   1.79     1.82
1b52B1 LYS   3 HG2    0.00  -0.02   0.05  -0.04   1.46     1.45
1b52B1 LYS   3 HG3    0.00   0.04   0.00  -0.04   1.46     1.46
1b52B1 LYS   3 HD2    0.00   0.02  -0.01  -0.04   1.69     1.66
1b52B1 LYS   3 HD3    0.00  -0.02   0.01  -0.04   1.68     1.63
1b52B1 LYS   3 HE2    0.00   0.01  -0.01  -0.04   2.99     2.95
1b52B1 LYS   3 HE3    0.00  -0.01  -0.00  -0.04   2.99     2.93