=============================================================================
          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
=============================================================================
1f9eR1 ASP 4201 HA     0.00  -0.03   0.17  -0.75   4.63     4.01
1f9eR1 ASP 4201 HB2    0.00   0.01  -0.01  -0.04   2.71     2.67
1f9eR1 ASP 4201 HB3    0.00  -0.07   0.09  -0.04   2.70     2.67
1f9eR1 GLU 4202 H      0.00   0.16   0.02  -0.55   8.60     8.24
1f9eR1 GLU 4202 HA     0.00   0.05   0.66  -0.75   4.29     4.25
1f9eR1 GLU 4202 HB2    0.00  -0.02   0.06  -0.04   2.09     2.09
1f9eR1 GLU 4202 HB3    0.00   0.03   0.06  -0.04   1.99     2.04
1f9eR1 GLU 4202 HG2    0.00   0.04   0.00  -0.04   2.34     2.34
1f9eR1 GLU 4202 HG3    0.00   0.01   0.04  -0.04   2.34     2.35
1f9eR1 VAL 4203 H      0.00   0.11   0.04  -0.55   8.24     7.84
1f9eR1 VAL 4203 HA     0.00  -0.02   0.16  -0.75   4.13     3.52
1f9eR1 VAL 4203 HB     0.00  -0.05   0.18  -0.04   2.12     2.21
1f9eR1 VAL 4203 HG13   0.00   0.02  -0.00  -0.04   0.97     0.95
1f9eR1 VAL 4203 HG23   0.00   0.01   0.10  -0.04   0.95     1.01
1f9eR1 ASP 4204 H      0.00   0.13   0.10  -0.55   8.40     8.09
1f9eR1 ASP 4204 HA     0.00   0.27  -0.13  -0.75   4.63     4.01
1f9eR1 ASP 4204 HB2    0.00   0.00   0.16  -0.04   2.71     2.83
1f9eR1 ASP 4204 HB3    0.00  -0.01   0.07  -0.04   2.70     2.72