=============================================================================
          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
=============================================================================
3ij0B1 ALA   7 HA     0.00  -0.11   0.21  -0.75   4.34     3.68
3ij0B1 ALA   7 HB3    0.00  -0.01   0.02  -0.04   1.41     1.38
3ij0B1 ARG   8 H      0.00   0.05   0.00  -0.55   8.46     7.96
3ij0B1 ARG   8 HA     0.00   0.17   0.58  -0.75   4.34     4.34
3ij0B1 ARG   8 HB2    0.00  -0.11  -0.07  -0.04   1.90     1.68
3ij0B1 ARG   8 HB3    0.00   0.37   0.03  -0.04   1.80     2.16
3ij0B1 ARG   8 HG2    0.00   0.01   0.01  -0.04   1.67     1.64
3ij0B1 ARG   8 HG3    0.00  -0.06  -0.07  -0.04   1.67     1.50
3ij0B1 ARG   8 HD2    0.00  -0.07   0.00  -0.04   3.22     3.12
3ij0B1 ARG   8 HD3    0.00  -0.09  -0.01  -0.04   3.22     3.08
3ij0B1 SER  10 HA     0.00  -0.05   0.31  -0.75   4.49     3.99
3ij0B1 SER  10 HB2    0.00  -0.03   0.06  -0.04   3.95     3.94
3ij0B1 SER  10 HB3    0.00  -0.02   0.09  -0.04   3.93     3.96
3ij0B1 THR  11 H      0.00   0.05   0.00  -0.55   8.28     7.78
3ij0B1 THR  11 HA     0.00   0.16   0.34  -0.75   4.39     4.14
3ij0B1 THR  11 HB     0.00   0.01   0.06  -0.04   4.32     4.35
3ij0B1 THR  11 HG23   0.00   0.01  -0.01  -0.04   1.22     1.18