=============================================================================
          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
=============================================================================
1n4rR1 THR 606 HA     0.00  -0.04   0.18  -0.75   4.39     3.77
1n4rR1 THR 606 HB     0.00  -0.22   0.20  -0.04   4.32     4.25
1n4rR1 THR 606 HG23   0.00   0.00  -0.02  -0.04   1.22     1.16
1n4rR1 LYS 607 H      0.00   0.12   0.12  -0.55   8.42     8.10
1n4rR1 LYS 607 HA     0.00   0.21   0.91  -0.75   4.32     4.68
1n4rR1 LYS 607 HB2    0.00  -0.00   0.08  -0.04   1.87     1.90
1n4rR1 LYS 607 HB3    0.00  -0.01  -0.06  -0.04   1.79     1.67
1n4rR1 LYS 607 HG2    0.00  -0.02  -0.05  -0.04   1.46     1.34
1n4rR1 LYS 607 HG3    0.00  -0.01  -0.55  -0.04   1.46     0.86
1n4rR1 LYS 607 HD2    0.00   0.03  -0.06  -0.04   1.69     1.61
1n4rR1 LYS 607 HD3    0.00  -0.00  -0.05  -0.04   1.68     1.59
1n4rR1 LYS 607 HE2    0.00  -0.00  -0.08  -0.04   2.99     2.87
1n4rR1 LYS 607 HE3    0.00  -0.03  -0.20  -0.04   2.99     2.72
1n4rR1 CYS 608 H      0.00   0.17   0.13  -0.55   8.50     8.25
1n4rR1 CYS 608 HA     0.00   0.19   0.90  -0.75   4.58     4.91
1n4rR1 CYS 608 HB2    0.00  -0.03   0.12  -0.04   2.97     3.01
1n4rR1 CYS 608 HB3    0.00   0.03  -0.08  -0.04   2.97     2.89
1n4rR1 VAL 609 H      0.00   0.24   0.13  -0.55   8.24     8.05
1n4rR1 VAL 609 HA     0.00   0.09   0.83  -0.75   4.13     4.30
1n4rR1 VAL 609 HB     0.00   0.05   0.15  -0.04   2.12     2.28
1n4rR1 VAL 609 HG13   0.00  -0.01  -0.08  -0.04   0.97     0.84
1n4rR1 VAL 609 HG23   0.00   0.03  -0.08  -0.04   0.95     0.86
1n4rR1 ILE 610 H      0.00   0.13   0.16  -0.55   8.25     7.99
1n4rR1 ILE 610 HA     0.00   0.27   0.93  -0.75   4.18     4.63
1n4rR1 ILE 610 HB     0.00   0.02   0.09  -0.04   1.89     1.96
1n4rR1 ILE 610 HG12   0.00   0.00   0.06  -0.04   1.49     1.51
1n4rR1 ILE 610 HG13   0.00   0.00  -0.19  -0.04   1.21     0.98
1n4rR1 ILE 610 HG23   0.00   0.02  -0.15  -0.04   0.93     0.76
1n4rR1 ILE 610 HD13   0.00   0.01  -0.03  -0.04   0.88     0.82
1n4rR1 LEU 611 H      0.00  -0.04  -0.03  -0.55   8.37     7.75
1n4rR1 LEU 611 HA     0.00   0.25   0.53  -0.75   4.35     4.38
1n4rR1 LEU 611 HB2    0.00  -0.03   0.01  -0.04   1.64     1.58
1n4rR1 LEU 611 HB3    0.00   0.03   0.05  -0.04   1.64     1.68
1n4rR1 LEU 611 HG     0.00  -0.01  -0.52  -0.04   1.64     1.07
1n4rR1 LEU 611 HD13   0.00  -0.00  -0.04  -0.04   0.93     0.84
1n4rR1 LEU 611 HD23   0.00   0.03   0.06  -0.04   0.89     0.93