=============================================================================
          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
=============================================================================
1f9eT1 ASP 4401 HA     0.00  -0.04   0.14  -0.75   4.63     3.98
1f9eT1 ASP 4401 HB2    0.00  -0.01   0.06  -0.04   2.71     2.72
1f9eT1 ASP 4401 HB3    0.00  -0.02   0.09  -0.04   2.70     2.74
1f9eT1 GLU 4402 H      0.00   0.19   0.07  -0.55   8.60     8.31
1f9eT1 GLU 4402 HA     0.00   0.06   0.58  -0.75   4.29     4.17
1f9eT1 GLU 4402 HB2    0.00  -0.01  -0.11  -0.04   2.09     1.93
1f9eT1 GLU 4402 HB3    0.00   0.03  -0.09  -0.04   1.99     1.89
1f9eT1 GLU 4402 HG2    0.00  -0.05   0.09  -0.04   2.34     2.33
1f9eT1 GLU 4402 HG3    0.00   0.17   0.04  -0.04   2.34     2.50
1f9eT1 VAL 4403 H      0.00   0.11   0.04  -0.55   8.24     7.84
1f9eT1 VAL 4403 HA     0.00   0.03   0.53  -0.75   4.13     3.93
1f9eT1 VAL 4403 HB     0.00  -0.03   0.18  -0.04   2.12     2.23
1f9eT1 VAL 4403 HG13   0.00   0.01  -0.05  -0.04   0.97     0.89
1f9eT1 VAL 4403 HG23   0.00   0.01   0.11  -0.04   0.95     1.03
1f9eT1 ASP 4404 H      0.00   0.18   0.13  -0.55   8.40     8.16
1f9eT1 ASP 4404 HA     0.00   0.25  -0.10  -0.75   4.63     4.02
1f9eT1 ASP 4404 HB2    0.00   0.02   0.15  -0.04   2.71     2.84
1f9eT1 ASP 4404 HB3    0.00  -0.00   0.07  -0.04   2.70     2.73