=============================================================================
          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
=============================================================================
2g9aB1 ALA   1 HA     0.00  -0.08   0.22  -0.75   4.34     3.73
2g9aB1 ALA   1 HB3    0.00  -0.01   0.02  -0.04   1.41     1.38
2g9aB1 ARG   2 H      0.00   0.10   0.10  -0.55   8.46     8.11
2g9aB1 ARG   2 HA     0.00   0.11   0.43  -0.75   4.34     4.13
2g9aB1 ARG   2 HB2    0.00  -0.00   0.12  -0.04   1.90     1.97
2g9aB1 ARG   2 HB3    0.00  -0.03   0.07  -0.04   1.80     1.79
2g9aB1 ARG   2 HG2    0.00   0.03  -0.01  -0.04   1.67     1.64
2g9aB1 ARG   2 HG3    0.00   0.01   0.08  -0.04   1.67     1.72
2g9aB1 ARG   2 HD2    0.00  -0.01  -0.03  -0.04   3.22     3.14
2g9aB1 ARG   2 HD3    0.00  -0.00  -0.00  -0.04   3.22     3.17
2g9aB1 THR   3 H      0.00  -0.02  -0.47  -0.55   8.28     7.24
2g9aB1 THR   3 HA     0.00   0.18   0.45  -0.75   4.39     4.27
2g9aB1 THR   3 HB     0.00   0.03   0.05  -0.04   4.32     4.36
2g9aB1 THR   3 HG23   0.00  -0.02  -0.05  -0.04   1.22     1.11
2g9aB1 GLN   5 HA     0.00   0.02   0.04  -0.75   4.36     3.66
2g9aB1 GLN   5 HB2    0.00  -0.01   0.05  -0.04   2.15     2.14
2g9aB1 GLN   5 HB3    0.00  -0.02   0.02  -0.04   2.02     1.98
2g9aB1 GLN   5 HG2    0.00  -0.00  -0.03  -0.04   2.40     2.33
2g9aB1 GLN   5 HG3    0.00   0.04  -0.05  -0.04   2.39     2.34
2g9aB1 GLN   5 HE21   0.00  -0.02   0.01  -0.04   6.97     6.92
2g9aB1 GLN   5 HE22   0.00   0.04   0.02  -0.04   7.69     7.70