=============================================================================
          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
=============================================================================
1f1jD1 ASP 802 HA     0.00  -0.06   0.17  -0.75   4.63     3.99
1f1jD1 ASP 802 HB2    0.00  -0.02  -0.00  -0.04   2.71     2.64
1f1jD1 ASP 802 HB3    0.00  -0.01   0.06  -0.04   2.70     2.70
1f1jD1 GLU 803 H      0.00   0.25   0.18  -0.55   8.60     8.48
1f1jD1 GLU 803 HA     0.00   0.25   1.02  -0.75   4.29     4.81
1f1jD1 GLU 803 HB2    0.00  -0.05  -0.08  -0.04   2.09     1.91
1f1jD1 GLU 803 HB3    0.00  -0.01   0.08  -0.04   1.99     2.01
1f1jD1 GLU 803 HG2    0.00   0.22  -0.10  -0.04   2.34     2.42
1f1jD1 GLU 803 HG3    0.00  -0.07  -0.51  -0.04   2.34     1.72
1f1jD1 VAL 804 H      0.00   0.22   0.17  -0.55   8.24     8.08
1f1jD1 VAL 804 HA     0.00   0.23   1.14  -0.75   4.13     4.74
1f1jD1 VAL 804 HB     0.00  -0.05  -0.01  -0.04   2.12     2.02
1f1jD1 VAL 804 HG13   0.00   0.01  -0.15  -0.04   0.97     0.79
1f1jD1 VAL 804 HG23   0.00   0.01   0.00  -0.04   0.95     0.92
1f1jD1 ASP 805 H      0.00   0.18   0.06  -0.55   8.40     8.09
1f1jD1 ASP 805 HA     0.00   0.22   0.50  -0.75   4.63     4.59
1f1jD1 ASP 805 HB2    0.00   0.01   0.09  -0.04   2.71     2.77
1f1jD1 ASP 805 HB3    0.00   0.03   0.07  -0.04   2.70     2.75