=============================================================================
          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
=============================================================================
1f9eS1 ASP 4301 HA     0.00  -0.03   0.14  -0.75   4.63     3.99
1f9eS1 ASP 4301 HB2    0.00   0.00   0.08  -0.04   2.71     2.75
1f9eS1 ASP 4301 HB3    0.00  -0.03   0.11  -0.04   2.70     2.74
1f9eS1 GLU 4302 H      0.00   0.18   0.09  -0.55   8.60     8.33
1f9eS1 GLU 4302 HA     0.00   0.11   0.61  -0.75   4.29     4.25
1f9eS1 GLU 4302 HB2    0.00  -0.02  -0.09  -0.04   2.09     1.94
1f9eS1 GLU 4302 HB3    0.00   0.01  -0.18  -0.04   1.99     1.78
1f9eS1 GLU 4302 HG2    0.00  -0.02   0.01  -0.04   2.34     2.29
1f9eS1 GLU 4302 HG3    0.00   0.07   0.12  -0.04   2.34     2.49
1f9eS1 VAL 4303 H      0.00   0.16   0.02  -0.55   8.24     7.88
1f9eS1 VAL 4303 HA     0.00   0.09   0.87  -0.75   4.13     4.33
1f9eS1 VAL 4303 HB     0.00  -0.02   0.17  -0.04   2.12     2.23
1f9eS1 VAL 4303 HG13   0.00   0.02  -0.15  -0.04   0.97     0.80
1f9eS1 VAL 4303 HG23   0.00   0.01   0.09  -0.04   0.95     1.01
1f9eS1 ASP 4304 H      0.00   0.23   0.09  -0.55   8.40     8.17
1f9eS1 ASP 4304 HA     0.00   0.21   0.18  -0.75   4.63     4.27
1f9eS1 ASP 4304 HB2    0.00   0.00   0.11  -0.04   2.71     2.78
1f9eS1 ASP 4304 HB3    0.00   0.02   0.05  -0.04   2.70     2.72