=============================================================================
          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
=============================================================================
1f9eU1 ASP 4501 HA     0.00  -0.04   0.13  -0.75   4.63     3.97
1f9eU1 ASP 4501 HB2    0.00  -0.01   0.07  -0.04   2.71     2.73
1f9eU1 ASP 4501 HB3    0.00  -0.01   0.11  -0.04   2.70     2.76
1f9eU1 GLU 4502 H      0.00   0.19   0.07  -0.55   8.60     8.32
1f9eU1 GLU 4502 HA     0.00   0.05   0.54  -0.75   4.29     4.13
1f9eU1 GLU 4502 HB2    0.00  -0.02  -0.15  -0.04   2.09     1.88
1f9eU1 GLU 4502 HB3    0.00   0.06  -0.14  -0.04   1.99     1.87
1f9eU1 GLU 4502 HG2    0.00  -0.04   0.08  -0.04   2.34     2.33
1f9eU1 GLU 4502 HG3    0.00   0.15   0.12  -0.04   2.34     2.56
1f9eU1 VAL 4503 H      0.00   0.11   0.06  -0.55   8.24     7.86
1f9eU1 VAL 4503 HA     0.00   0.03   0.48  -0.75   4.13     3.88
1f9eU1 VAL 4503 HB     0.00  -0.02   0.18  -0.04   2.12     2.24
1f9eU1 VAL 4503 HG13   0.00   0.01  -0.03  -0.04   0.97     0.91
1f9eU1 VAL 4503 HG23   0.00   0.01   0.11  -0.04   0.95     1.03
1f9eU1 ASP 4504 H      0.00   0.15   0.11  -0.55   8.40     8.11
1f9eU1 ASP 4504 HA     0.00   0.28  -0.13  -0.75   4.63     4.03
1f9eU1 ASP 4504 HB2    0.00   0.02   0.15  -0.04   2.71     2.83
1f9eU1 ASP 4504 HB3    0.00  -0.01   0.07  -0.04   2.70     2.72