=============================================================================
          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
=============================================================================
1tj9B1 VAL   1 HA     0.00  -0.09   0.25  -0.75   4.13     3.54
1tj9B1 VAL   1 HB     0.00  -0.02   0.06  -0.04   2.12     2.12
1tj9B1 VAL   1 HG13   0.00  -0.01   0.06  -0.04   0.97     0.98
1tj9B1 VAL   1 HG23   0.00  -0.00  -0.12  -0.04   0.95     0.78
1tj9B1 ALA   2 H      0.00   0.14   0.12  -0.55   8.40     8.12
1tj9B1 ALA   2 HA     0.00   0.14   0.52  -0.75   4.34     4.24
1tj9B1 ALA   2 HB3    0.00   0.01   0.03  -0.04   1.41     1.41
1tj9B1 ARG   3 H      0.00   0.17   0.11  -0.55   8.46     8.19
1tj9B1 ARG   3 HA     0.00   0.24   1.25  -0.75   4.34     5.08
1tj9B1 ARG   3 HB2    0.00  -0.00   0.08  -0.04   1.90     1.94
1tj9B1 ARG   3 HB3    0.00   0.01  -0.04  -0.04   1.80     1.73
1tj9B1 ARG   3 HG2    0.00   0.00  -0.01  -0.04   1.67     1.62
1tj9B1 ARG   3 HG3    0.00  -0.04   0.10  -0.04   1.67     1.69
1tj9B1 ARG   3 HD2    0.00   0.01  -0.05  -0.04   3.22     3.14
1tj9B1 ARG   3 HD3    0.00   0.02  -0.30  -0.04   3.22     2.89
1tj9B1 SER   4 H      0.00   0.15   0.05  -0.55   8.46     8.12
1tj9B1 SER   4 HA     0.00   0.20   0.59  -0.75   4.49     4.53
1tj9B1 SER   4 HB2    0.00   0.02   0.01  -0.04   3.95     3.94
1tj9B1 SER   4 HB3    0.00   0.08  -0.15  -0.04   3.93     3.81