=============================================================================
          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
=============================================================================
3hufE1 THR  78 HA     0.00  -0.02   0.05  -0.75   4.39     3.66
3hufE1 THR  78 HB     0.00   0.01   0.01  -0.04   4.32     4.30
3hufE1 THR  78 HG23   0.00   0.00   0.01  -0.04   1.22     1.19
3hufE1 ASP  80 HA     0.00  -0.07   0.19  -0.75   4.63     3.99
3hufE1 ASP  80 HB2    0.00  -0.24   0.13  -0.04   2.71     2.56
3hufE1 ASP  80 HB3    0.00  -0.02  -0.06  -0.04   2.70     2.58
3hufE1 GLU  81 H      0.00   0.07   0.02  -0.55   8.60     8.14
3hufE1 GLU  81 HA     0.00   0.13   0.18  -0.75   4.29     3.85
3hufE1 GLU  81 HB2    0.00  -0.00   0.10  -0.04   2.09     2.15
3hufE1 GLU  81 HB3    0.00   0.01   0.07  -0.04   1.99     2.03
3hufE1 GLU  81 HG2    0.00  -0.01   0.02  -0.04   2.34     2.31
3hufE1 GLU  81 HG3    0.00   0.03  -0.02  -0.04   2.34     2.31