=============================================================================
          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
=============================================================================
1fyrL1 VAL   1 HA     0.00   0.00   0.21  -0.75   4.13     3.58
1fyrL1 VAL   1 HB     0.00  -0.03   0.02  -0.04   2.12     2.06
1fyrL1 VAL   1 HG13   0.00   0.00  -0.08  -0.04   0.97     0.85
1fyrL1 VAL   1 HG23   0.00   0.00   0.03  -0.04   0.95     0.94
1fyrL1 ASN   2 H      0.00   0.20   0.03  -0.55   8.53     8.21
1fyrL1 ASN   2 HA     0.00   0.18   0.74  -0.75   4.76     4.93
1fyrL1 ASN   2 HB2    0.00  -0.01   0.20  -0.04   2.88     3.03
1fyrL1 ASN   2 HB3    0.00  -0.01   0.05  -0.04   2.79     2.79
1fyrL1 ASN   2 HD21   0.00  -0.00   0.01  -0.04   7.03     6.99
1fyrL1 ASN   2 HD22   0.00  -0.01   0.04  -0.04   7.74     7.72
1fyrL1 VAL   3 H      0.00   0.28  -0.57  -0.55   8.24     7.40
1fyrL1 VAL   3 HA     0.00   0.24   0.66  -0.75   4.13     4.28
1fyrL1 VAL   3 HB     0.00   0.02  -0.03  -0.04   2.12     2.07
1fyrL1 VAL   3 HG13   0.00   0.00   0.02  -0.04   0.97     0.95
1fyrL1 VAL   3 HG23   0.00  -0.01  -0.24  -0.04   0.95     0.66