=============================================================================
          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
=============================================================================
1ot5C1 ALA   2 HA     0.00  -0.13   0.20  -0.75   4.34     3.66
1ot5C1 ALA   2 HB3    0.00  -0.00   0.02  -0.04   1.41     1.38
1ot5C1 LYS   3 H      0.00   0.03   0.00  -0.55   8.42     7.89
1ot5C1 LYS   3 HA     0.00   0.15   0.27  -0.75   4.32     3.99
1ot5C1 LYS   3 HB2    0.00  -0.01   0.08  -0.04   1.87     1.90
1ot5C1 LYS   3 HB3    0.00   0.02   0.07  -0.04   1.79     1.83
1ot5C1 LYS   3 HG2    0.00   0.03   0.00  -0.04   1.46     1.45
1ot5C1 LYS   3 HG3    0.00  -0.01   0.04  -0.04   1.46     1.44
1ot5C1 LYS   3 HD2    0.00  -0.01   0.03  -0.04   1.69     1.67
1ot5C1 LYS   3 HD3    0.00   0.00   0.02  -0.04   1.68     1.66
1ot5C1 LYS   3 HE2    0.00   0.01  -0.00  -0.04   2.99     2.96
1ot5C1 LYS   3 HE3    0.00   0.01   0.01  -0.04   2.99     2.96