=============================================================================
          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
=============================================================================
1bs6D1 MET   1 HA     0.00  -0.08   0.16  -0.75   4.52     3.85
1bs6D1 MET   1 HB2    0.00  -0.00   0.02  -0.04   2.15     2.12
1bs6D1 MET   1 HB3    0.00  -0.03  -0.01  -0.04   2.03     1.95
1bs6D1 MET   1 HG2    0.00  -0.07  -0.38  -0.04   2.63     2.14
1bs6D1 MET   1 HG3    0.00  -0.00  -0.05  -0.04   2.56     2.47
1bs6D1 MET   1 HE3    0.00  -0.01  -0.07  -0.04   2.10     1.98
1bs6D1 ALA   2 H      0.00   0.14   0.06  -0.55   8.40     8.05
1bs6D1 ALA   2 HA     0.00   0.15   0.70  -0.75   4.34     4.44
1bs6D1 ALA   2 HB3    0.00   0.01   0.10  -0.04   1.41     1.48
1bs6D1 SER   3 H      0.00   0.20  -0.09  -0.55   8.46     8.03
1bs6D1 SER   3 HA     0.00   0.17   0.55  -0.75   4.49     4.46
1bs6D1 SER   3 HB2    0.00   0.03   0.03  -0.04   3.95     3.97
1bs6D1 SER   3 HB3    0.00   0.01   0.05  -0.04   3.93     3.95