=============================================================================
          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
=============================================================================
3ktkP1 SER   3 HA     0.00  -0.06  -0.94  -0.75   4.49     2.74
3ktkP1 SER   3 HB2    0.00  -0.03  -0.09  -0.04   3.95     3.79
3ktkP1 SER   3 HB3    0.00  -0.05  -0.09  -0.04   3.93     3.75
3ktkP1 PRO   4 HA     0.00   0.08   0.19  -0.51   4.44     4.20
3ktkP1 PRO   4 HB2    0.00   0.01   0.10  -0.04   2.28     2.35
3ktkP1 PRO   4 HB3    0.00   0.00   0.08  -0.04   2.02     2.07
3ktkP1 PRO   4 HG2    0.00  -0.00   0.08  -0.04   2.03     2.06
3ktkP1 PRO   4 HG3    0.00   0.01   0.04  -0.04   2.03     2.04
3ktkP1 PRO   4 HD2    0.00   0.04   0.16  -0.04   3.68     3.84
3ktkP1 PRO   4 HD3    0.00   0.14   0.37  -0.04   3.65     4.12
3ktkP1 ALA   6 HA     0.00  -0.03   0.06  -0.75   4.34     3.62
3ktkP1 ALA   6 HB3    0.00   0.00   0.06  -0.04   1.41     1.43