=============================================================================
          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
=============================================================================
2onwX1 SER   1 HA     0.00  -0.06   0.19  -0.75   4.49     3.87
2onwX1 SER   1 HB2    0.00  -0.02   0.01  -0.04   3.95     3.90
2onwX1 SER   1 HB3    0.00  -0.02   0.05  -0.04   3.93     3.92
2onwX1 SER   2 H      0.00   0.20   0.14  -0.55   8.46     8.25
2onwX1 SER   2 HA     0.00   0.13   0.71  -0.75   4.49     4.58
2onwX1 SER   2 HB2    0.00  -0.02  -0.02  -0.04   3.95     3.87
2onwX1 SER   2 HB3    0.00   0.13  -0.25  -0.04   3.93     3.77
2onwX1 THR   3 H      0.00   0.29   0.15  -0.55   8.28     8.17
2onwX1 THR   3 HA     0.00   0.12   0.67  -0.75   4.39     4.43
2onwX1 THR   3 HB     0.00  -0.01   0.09  -0.04   4.32     4.37
2onwX1 THR   3 HG23   0.00   0.00  -0.05  -0.04   1.22     1.14
2onwX1 SER   4 H      0.00   0.26   0.13  -0.55   8.46     8.30
2onwX1 SER   4 HA     0.00   0.16   0.85  -0.75   4.49     4.74
2onwX1 SER   4 HB2    0.00   0.01  -0.07  -0.04   3.95     3.85
2onwX1 SER   4 HB3    0.00   0.08  -0.23  -0.04   3.93     3.74
2onwX1 ALA   5 H      0.00   0.31   0.16  -0.55   8.40     8.32
2onwX1 ALA   5 HA     0.00   0.10   0.73  -0.75   4.34     4.42
2onwX1 ALA   5 HB3    0.00   0.02  -0.02  -0.04   1.41     1.37
2onwX1 ALA   6 H      0.00   0.13   0.03  -0.55   8.40     8.02
2onwX1 ALA   6 HA     0.00   0.23   0.63  -0.75   4.34     4.45
2onwX1 ALA   6 HB3    0.00   0.03  -0.04  -0.04   1.41     1.35