=============================================================================
          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
=============================================================================
2wjgC1 ALA   9 HA     0.00  -0.02   0.22  -0.75   4.34     3.79
2wjgC1 ALA   9 HB3    0.00   0.01   0.02  -0.04   1.41     1.40
2wjgC1 ALA  10 H      0.00   0.21   0.06  -0.55   8.40     8.12
2wjgC1 ALA  10 HA     0.00   0.15   0.45  -0.75   4.34     4.18
2wjgC1 ALA  10 HB3    0.00   0.02   0.01  -0.04   1.41     1.39
2wjgC1 ALA  11 H      0.00   0.15  -0.28  -0.55   8.40     7.73
2wjgC1 ALA  11 HA     0.00   0.09   0.35  -0.75   4.34     4.03
2wjgC1 ALA  11 HB3    0.00  -0.01   0.03  -0.04   1.41     1.38
2wjgC1 ALA  12 H      0.00   0.10  -0.20  -0.55   8.40     7.75
2wjgC1 ALA  12 HA     0.00   0.08   0.37  -0.75   4.34     4.04
2wjgC1 ALA  12 HB3    0.00   0.00   0.06  -0.04   1.41     1.44
2wjgC1 ALA  13 H      0.00   0.29  -0.08  -0.55   8.40     8.07
2wjgC1 ALA  13 HA     0.00   0.01   0.27  -0.75   4.34     3.86
2wjgC1 ALA  13 HB3    0.00   0.02   0.16  -0.04   1.41     1.55
2wjgC1 ALA  14 H      0.00   0.68  -0.74  -0.55   8.40     7.79
2wjgC1 ALA  14 HA     0.00   0.01   0.40  -0.75   4.34     4.00
2wjgC1 ALA  14 HB3    0.00   0.08   0.08  -0.04   1.41     1.53
2wjgC1 ALA  15 H      0.00   0.15   0.13  -0.55   8.40     8.14
2wjgC1 ALA  15 HA     0.00   0.20   0.64  -0.75   4.34     4.43
2wjgC1 ALA  15 HB3    0.00   0.01   0.13  -0.04   1.41     1.51