=============================================================================
          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
=============================================================================
2cwgE1 ALA   5 HA     0.00  -0.13   0.24  -0.75   4.34     3.70
2cwgE1 ALA   5 HB3    0.00  -0.02   0.05  -0.04   1.41     1.40
2cwgE1 THR   6 H      0.00   0.04   0.07  -0.55   8.28     7.84
2cwgE1 THR   6 HA     0.00   0.35   1.23  -0.75   4.39     5.21
2cwgE1 THR   6 HB     0.00   0.01   0.20  -0.04   4.32     4.49
2cwgE1 THR   6 HG23   0.00   0.01  -0.13  -0.04   1.22     1.06
2cwgE1 PRO   7 HA     0.00   0.14   0.33  -0.51   4.44     4.40
2cwgE1 PRO   7 HB2    0.00   0.04   0.04  -0.04   2.28     2.32
2cwgE1 PRO   7 HB3    0.00   0.03   0.02  -0.04   2.02     2.03
2cwgE1 PRO   7 HG2    0.00   0.06  -0.00  -0.04   2.03     2.05
2cwgE1 PRO   7 HG3    0.00   0.01   0.00  -0.04   2.03     2.00
2cwgE1 PRO   7 HD2    0.00   0.21  -0.22  -0.04   3.68     3.62
2cwgE1 PRO   7 HD3    0.00  -0.13  -0.05  -0.04   3.65     3.43