=============================================================================
          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
=============================================================================
1loc31 ALA 971 HA     0.00  -0.03   0.14  -0.75   4.34     3.69
1loc31 ALA 971 HB3    0.00  -0.03   0.01  -0.04   1.41     1.35
1loc31 GLU 972 H      0.00   0.08   0.00  -0.55   8.60     8.13
1loc31 GLU 972 HA     0.00   0.11   0.18  -0.75   4.29     3.83
1loc31 GLU 972 HB2    0.00   0.00   0.07  -0.04   2.09     2.13
1loc31 GLU 972 HB3    0.00  -0.01   0.08  -0.04   1.99     2.02
1loc31 GLU 972 HG2    0.00  -0.01   0.03  -0.04   2.34     2.31
1loc31 GLU 972 HG3    0.00   0.03   0.04  -0.04   2.34     2.36