=============================================================================
          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
=============================================================================
1pauC1 ASP 502 HA     0.00  -0.08   0.23  -0.75   4.63     4.02
1pauC1 ASP 502 HB2    0.00  -0.02   0.02  -0.04   2.71     2.67
1pauC1 ASP 502 HB3    0.00   0.00  -0.08  -0.04   2.70     2.59
1pauC1 GLU 503 H      0.00   0.22   0.16  -0.55   8.60     8.43
1pauC1 GLU 503 HA     0.00   0.13   0.74  -0.75   4.29     4.41
1pauC1 GLU 503 HB2    0.00  -0.04  -0.02  -0.04   2.09     1.99
1pauC1 GLU 503 HB3    0.00   0.03   0.08  -0.04   1.99     2.06
1pauC1 GLU 503 HG2    0.00   0.07  -0.02  -0.04   2.34     2.35
1pauC1 GLU 503 HG3    0.00   0.00  -0.46  -0.04   2.34     1.84
1pauC1 VAL 504 H      0.00   0.15   0.15  -0.55   8.24     7.99
1pauC1 VAL 504 HA     0.00   0.18   0.89  -0.75   4.13     4.44
1pauC1 VAL 504 HB     0.00  -0.06   0.06  -0.04   2.12     2.08
1pauC1 VAL 504 HG13   0.00   0.01  -0.08  -0.04   0.97     0.86
1pauC1 VAL 504 HG23   0.00   0.02   0.00  -0.04   0.95     0.93
1pauC1 ASP 505 H      0.00   0.08   0.06  -0.55   8.40     8.00
1pauC1 ASP 505 HA     0.00   0.25   0.71  -0.75   4.63     4.84
1pauC1 ASP 505 HB2    0.00   0.00   0.05  -0.04   2.71     2.72
1pauC1 ASP 505 HB3    0.00   0.02   0.06  -0.04   2.70     2.74