=============================================================================
          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
=============================================================================
1f1jC1 ASP 702 HA     0.00  -0.11   0.23  -0.75   4.63     4.00
1f1jC1 ASP 702 HB2    0.00  -0.03  -0.00  -0.04   2.71     2.64
1f1jC1 ASP 702 HB3    0.00   0.04  -0.01  -0.04   2.70     2.68
1f1jC1 GLU 703 H      0.00   0.12   0.12  -0.55   8.60     8.30
1f1jC1 GLU 703 HA     0.00   0.16   0.84  -0.75   4.29     4.53
1f1jC1 GLU 703 HB2    0.00  -0.04   0.06  -0.04   2.09     2.06
1f1jC1 GLU 703 HB3    0.00   0.01  -0.06  -0.04   1.99     1.90
1f1jC1 GLU 703 HG2    0.00   0.02   0.02  -0.04   2.34     2.34
1f1jC1 GLU 703 HG3    0.00   0.03   0.06  -0.04   2.34     2.39
1f1jC1 VAL 704 H      0.00   0.14   0.12  -0.55   8.24     7.95
1f1jC1 VAL 704 HA     0.00   0.25   0.96  -0.75   4.13     4.59
1f1jC1 VAL 704 HB     0.00  -0.04   0.11  -0.04   2.12     2.15
1f1jC1 VAL 704 HG13   0.00   0.03  -0.12  -0.04   0.97     0.84
1f1jC1 VAL 704 HG23   0.00  -0.01  -0.07  -0.04   0.95     0.83
1f1jC1 ASP 705 H      0.00   0.16   0.03  -0.55   8.40     8.04
1f1jC1 ASP 705 HA     0.00   0.21   0.46  -0.75   4.63     4.55
1f1jC1 ASP 705 HB2    0.00   0.00   0.07  -0.04   2.71     2.74
1f1jC1 ASP 705 HB3    0.00   0.02   0.05  -0.04   2.70     2.73