=============================================================================
          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
=============================================================================
1n4sR1 LYS 607 HA     0.00  -0.02   0.10  -0.75   4.32     3.65
1n4sR1 LYS 607 HB2    0.00  -0.02   0.12  -0.04   1.87     1.93
1n4sR1 LYS 607 HB3    0.00   0.01   0.06  -0.04   1.79     1.82
1n4sR1 LYS 607 HG2    0.00   0.00  -0.01  -0.04   1.46     1.42
1n4sR1 LYS 607 HG3    0.00  -0.02   0.00  -0.04   1.46     1.40
1n4sR1 LYS 607 HD2    0.00   0.01   0.02  -0.04   1.69     1.68
1n4sR1 LYS 607 HD3    0.00   0.00   0.01  -0.04   1.68     1.65
1n4sR1 LYS 607 HE2    0.00  -0.02   0.04  -0.04   2.99     2.97
1n4sR1 LYS 607 HE3    0.00  -0.00   0.04  -0.04   2.99     2.99
1n4sR1 CYS 608 H      0.00   0.24   0.06  -0.55   8.50     8.24
1n4sR1 CYS 608 HA     0.00   0.18   1.00  -0.75   4.58     5.01
1n4sR1 CYS 608 HB2    0.00   0.10   0.02  -0.04   2.97     3.04
1n4sR1 CYS 608 HB3    0.00  -0.11   0.15  -0.04   2.97     2.97
1n4sR1 VAL 609 H      0.00   0.21   0.08  -0.55   8.24     7.98
1n4sR1 VAL 609 HA     0.00   0.13   0.39  -0.75   4.13     3.89
1n4sR1 VAL 609 HB     0.00   0.04   0.05  -0.04   2.12     2.16
1n4sR1 VAL 609 HG13   0.00   0.02   0.00  -0.04   0.97     0.95
1n4sR1 VAL 609 HG23   0.00   0.01   0.02  -0.04   0.95     0.93
1n4sR1 ILE 610 H      0.00   0.02  -0.19  -0.55   8.25     7.52
1n4sR1 ILE 610 HA     0.00   0.33   1.01  -0.75   4.18     4.77
1n4sR1 ILE 610 HB     0.00   0.04   0.13  -0.04   1.89     2.02
1n4sR1 ILE 610 HG12   0.00  -0.09  -0.01  -0.04   1.49     1.35
1n4sR1 ILE 610 HG13   0.00   0.04  -0.28  -0.04   1.21     0.93
1n4sR1 ILE 610 HG23   0.00  -0.00  -0.08  -0.04   0.93     0.80
1n4sR1 ILE 610 HD13   0.00   0.01  -0.03  -0.04   0.88     0.82
1n4sR1 LEU 611 H      0.00   0.14  -0.31  -0.55   8.37     7.66
1n4sR1 LEU 611 HA     0.00   0.23   0.55  -0.75   4.35     4.37
1n4sR1 LEU 611 HB2    0.00  -0.06  -0.06  -0.04   1.64     1.48
1n4sR1 LEU 611 HB3    0.00   0.02   0.03  -0.04   1.64     1.66
1n4sR1 LEU 611 HG     0.00   0.02  -0.42  -0.04   1.64     1.21
1n4sR1 LEU 611 HD13   0.00  -0.01  -0.05  -0.04   0.93     0.83
1n4sR1 LEU 611 HD23   0.00   0.02   0.07  -0.04   0.89     0.93