=============================================================================
          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
=============================================================================
1tk4B1 ALA   1 HA     0.00  -0.04   0.18  -0.75   4.34     3.73
1tk4B1 ALA   1 HB3    0.00  -0.02   0.02  -0.04   1.41     1.37
1tk4B1 ILE   2 H      0.00   0.24   0.07  -0.55   8.25     8.01
1tk4B1 ILE   2 HA     0.00   0.10   0.89  -0.75   4.18     4.42
1tk4B1 ILE   2 HB     0.00  -0.01   0.16  -0.04   1.89     1.99
1tk4B1 ILE   2 HG12   0.00  -0.06  -0.29  -0.04   1.49     1.10
1tk4B1 ILE   2 HG13   0.00  -0.02  -0.03  -0.04   1.21     1.12
1tk4B1 ILE   2 HG23   0.00   0.00  -0.08  -0.04   0.93     0.82
1tk4B1 ILE   2 HD13   0.00   0.02  -0.02  -0.04   0.88     0.84
1tk4B1 ARG   3 H      0.00   0.12   0.05  -0.55   8.46     8.07
1tk4B1 ARG   3 HA     0.00   0.25   0.79  -0.75   4.34     4.62
1tk4B1 ARG   3 HB2    0.00  -0.23   0.14  -0.04   1.90     1.76
1tk4B1 ARG   3 HB3    0.00   0.03  -0.14  -0.04   1.80     1.65
1tk4B1 ARG   3 HG2    0.00  -0.09  -0.04  -0.04   1.67     1.50
1tk4B1 ARG   3 HG3    0.00   0.50   0.03  -0.04   1.67     2.16
1tk4B1 ARG   3 HD2    0.00   0.03  -0.03  -0.04   3.22     3.17
1tk4B1 ARG   3 HD3    0.00  -0.01  -0.01  -0.04   3.22     3.15
1tk4B1 SER   4 H      0.00   0.12   0.04  -0.55   8.46     8.07
1tk4B1 SER   4 HA     0.00   0.23   0.45  -0.75   4.49     4.42
1tk4B1 SER   4 HB2    0.00   0.01   0.02  -0.04   3.95     3.94
1tk4B1 SER   4 HB3    0.00   0.01   0.08  -0.04   3.93     3.98