=============================================================================
          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
=============================================================================
1f9eV1 ASP 4601 HA     0.00  -0.07   0.18  -0.75   4.63     3.98
1f9eV1 ASP 4601 HB2    0.00  -0.02   0.07  -0.04   2.71     2.72
1f9eV1 ASP 4601 HB3    0.00   0.01  -0.01  -0.04   2.70     2.66
1f9eV1 GLU 4602 H      0.00   0.07   0.04  -0.55   8.60     8.17
1f9eV1 GLU 4602 HA     0.00   0.17   0.72  -0.75   4.29     4.43
1f9eV1 GLU 4602 HB2    0.00  -0.00   0.01  -0.04   2.09     2.05
1f9eV1 GLU 4602 HB3    0.00  -0.08   0.13  -0.04   1.99     1.99
1f9eV1 GLU 4602 HG2    0.00  -0.05   0.03  -0.04   2.34     2.28
1f9eV1 GLU 4602 HG3    0.00   0.19  -0.23  -0.04   2.34     2.26
1f9eV1 VAL 4603 H      0.00   0.10   0.06  -0.55   8.24     7.84
1f9eV1 VAL 4603 HA     0.00   0.03   0.46  -0.75   4.13     3.86
1f9eV1 VAL 4603 HB     0.00  -0.01   0.18  -0.04   2.12     2.25
1f9eV1 VAL 4603 HG13   0.00   0.01   0.02  -0.04   0.97     0.96
1f9eV1 VAL 4603 HG23   0.00   0.01   0.12  -0.04   0.95     1.04
1f9eV1 ASP 4604 H      0.00   0.20   0.11  -0.55   8.40     8.17
1f9eV1 ASP 4604 HA     0.00   0.25  -0.42  -0.75   4.63     3.70
1f9eV1 ASP 4604 HB2    0.00   0.01   0.13  -0.04   2.71     2.80
1f9eV1 ASP 4604 HB3    0.00  -0.01   0.05  -0.04   2.70     2.71