=============================================================================
          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
=============================================================================
1fyrK1 VAL   1 HA     0.00   0.00   0.21  -0.75   4.13     3.59
1fyrK1 VAL   1 HB     0.00  -0.05   0.04  -0.04   2.12     2.07
1fyrK1 VAL   1 HG13   0.00   0.00  -0.09  -0.04   0.97     0.84
1fyrK1 VAL   1 HG23   0.00   0.00   0.04  -0.04   0.95     0.95
1fyrK1 ASN   2 H      0.00   0.18   0.05  -0.55   8.53     8.21
1fyrK1 ASN   2 HA     0.00   0.17   0.67  -0.75   4.76     4.85
1fyrK1 ASN   2 HB2    0.00  -0.01   0.17  -0.04   2.88     3.00
1fyrK1 ASN   2 HB3    0.00  -0.01   0.05  -0.04   2.79     2.79
1fyrK1 ASN   2 HD21   0.00  -0.01  -0.02  -0.04   7.03     6.96
1fyrK1 ASN   2 HD22   0.00  -0.01   0.02  -0.04   7.74     7.71
1fyrK1 VAL   3 H      0.00   0.29  -0.44  -0.55   8.24     7.54
1fyrK1 VAL   3 HA     0.00   0.25   0.73  -0.75   4.13     4.36
1fyrK1 VAL   3 HB     0.00   0.02  -0.01  -0.04   2.12     2.09
1fyrK1 VAL   3 HG13   0.00   0.00   0.02  -0.04   0.97     0.95
1fyrK1 VAL   3 HG23   0.00  -0.01  -0.17  -0.04   0.95     0.73