=============================================================================
          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
=============================================================================
1loc41 ALA 981 HA     0.00  -0.07   0.16  -0.75   4.34     3.67
1loc41 ALA 981 HB3    0.00  -0.02   0.00  -0.04   1.41     1.36
1loc41 GLU 982 H      0.00   0.04   0.00  -0.55   8.60     8.09
1loc41 GLU 982 HA     0.00   0.11   0.23  -0.75   4.29     3.87
1loc41 GLU 982 HB2    0.00   0.01   0.07  -0.04   2.09     2.12
1loc41 GLU 982 HB3    0.00  -0.02   0.10  -0.04   1.99     2.03
1loc41 GLU 982 HG2    0.00  -0.01   0.02  -0.04   2.34     2.32
1loc41 GLU 982 HG3    0.00   0.04   0.06  -0.04   2.34     2.40