=============================================================================
          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
=============================================================================
1bs8E1 MET   1 HA     0.00  -0.06   0.13  -0.75   4.52     3.84
1bs8E1 MET   1 HB2    0.00   0.08  -0.08  -0.04   2.15     2.11
1bs8E1 MET   1 HB3    0.00  -0.06   0.11  -0.04   2.03     2.04
1bs8E1 MET   1 HG2    0.00  -0.02   0.03  -0.04   2.63     2.60
1bs8E1 MET   1 HG3    0.00  -0.01   0.00  -0.04   2.56     2.51
1bs8E1 MET   1 HE3    0.00   0.02   0.03  -0.04   2.10     2.11
1bs8E1 ALA   2 H      0.00   0.09   0.10  -0.55   8.40     8.04
1bs8E1 ALA   2 HA     0.00   0.17   0.91  -0.75   4.34     4.67
1bs8E1 ALA   2 HB3    0.00   0.01   0.09  -0.04   1.41     1.47
1bs8E1 SER   3 H      0.00   0.15   0.03  -0.55   8.46     8.10
1bs8E1 SER   3 HA     0.00   0.13   0.36  -0.75   4.49     4.23
1bs8E1 SER   3 HB2    0.00  -0.01   0.09  -0.04   3.95     3.99
1bs8E1 SER   3 HB3    0.00   0.01   0.05  -0.04   3.93     3.95