=============================================================================
          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
=============================================================================
1r1pH1 ASP 556 HA     0.00  -0.05   0.14  -0.75   4.63     3.96
1r1pH1 ASP 556 HB2    0.00  -0.02   0.04  -0.04   2.71     2.70
1r1pH1 ASP 556 HB3    0.00   0.04  -0.04  -0.04   2.70     2.66
1r1pH1 ASP 557 H      0.00   0.07   0.03  -0.55   8.40     7.95
1r1pH1 ASP 557 HA     0.00   0.20   0.30  -0.75   4.63     4.38
1r1pH1 ASP 557 HB2    0.00  -0.04   0.06  -0.04   2.71     2.69
1r1pH1 ASP 557 HB3    0.00  -0.00   0.09  -0.04   2.70     2.74
1r1pH1 VAL 559 HA     0.00  -0.00   0.24  -0.75   4.13     3.61
1r1pH1 VAL 559 HB     0.00  -0.04   0.08  -0.04   2.12     2.12
1r1pH1 VAL 559 HG13   0.00   0.00  -0.10  -0.04   0.97     0.83
1r1pH1 VAL 559 HG23   0.00   0.00   0.07  -0.04   0.95     0.98
1r1pH1 ASN 560 H      0.00   0.22   0.09  -0.55   8.53     8.29
1r1pH1 ASN 560 HA     0.00   0.16   0.67  -0.75   4.76     4.84
1r1pH1 ASN 560 HB2    0.00  -0.01   0.16  -0.04   2.88     2.98
1r1pH1 ASN 560 HB3    0.00  -0.01   0.01  -0.04   2.79     2.74
1r1pH1 ASN 560 HD21   0.00  -0.00  -0.02  -0.04   7.03     6.96
1r1pH1 ASN 560 HD22   0.00  -0.02   0.02  -0.04   7.74     7.70
1r1pH1 VAL 561 H      0.00   0.23  -0.29  -0.55   8.24     7.63
1r1pH1 VAL 561 HA     0.00   0.25   0.74  -0.75   4.13     4.37
1r1pH1 VAL 561 HB     0.00   0.02   0.06  -0.04   2.12     2.15
1r1pH1 VAL 561 HG13   0.00   0.01   0.04  -0.04   0.97     0.98
1r1pH1 VAL 561 HG23   0.00  -0.00  -0.16  -0.04   0.95     0.75