=============================================================================
          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
=============================================================================
3g6nG1 MET   1 HA     0.00  -0.06   0.13  -0.75   4.52     3.84
3g6nG1 MET   1 HB2    0.00   0.03   0.08  -0.04   2.15     2.22
3g6nG1 MET   1 HB3    0.00  -0.33   0.20  -0.04   2.03     1.86
3g6nG1 MET   1 HG2    0.00  -0.02   0.04  -0.04   2.63     2.61
3g6nG1 MET   1 HG3    0.00   0.01   0.04  -0.04   2.56     2.57
3g6nG1 MET   1 HE3    0.00  -0.00   0.00  -0.04   2.10     2.06
3g6nG1 ALA   2 H      0.00   0.03   0.06  -0.55   8.40     7.94
3g6nG1 ALA   2 HA     0.00   0.21   0.76  -0.75   4.34     4.55
3g6nG1 ALA   2 HB3    0.00  -0.02   0.08  -0.04   1.41     1.42
3g6nG1 SER   3 H      0.00   0.12   0.04  -0.55   8.46     8.08
3g6nG1 SER   3 HA     0.00   0.04   0.18  -0.75   4.49     3.96
3g6nG1 SER   3 HB2    0.00   0.11  -0.15  -0.04   3.95     3.87
3g6nG1 SER   3 HB3    0.00   0.02   0.05  -0.04   3.93     3.96