=============================================================================
          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
=============================================================================
1suaC1 ALA 674 HA     0.00  -0.11   0.24  -0.75   4.34     3.71
1suaC1 ALA 674 HB3    0.00  -0.01   0.00  -0.04   1.41     1.36
1suaC1 LEU 675 H      0.00   0.16   0.10  -0.55   8.37     8.08
1suaC1 LEU 675 HA     0.00   0.08   0.77  -0.75   4.35     4.45
1suaC1 LEU 675 HB2    0.00   0.01  -0.15  -0.04   1.64     1.46
1suaC1 LEU 675 HB3    0.00   0.01  -0.03  -0.04   1.64     1.58
1suaC1 LEU 675 HG     0.00  -0.04   0.07  -0.04   1.64     1.64
1suaC1 LEU 675 HD13   0.00   0.01   0.01  -0.04   0.93     0.90
1suaC1 LEU 675 HD23   0.00  -0.00  -0.03  -0.04   0.89     0.82
1suaC1 ALA 676 H      0.00   0.13   0.13  -0.55   8.40     8.12
1suaC1 ALA 676 HA     0.00   0.03   0.51  -0.75   4.34     4.12
1suaC1 ALA 676 HB3    0.00   0.01   0.10  -0.04   1.41     1.48
1suaC1 LEU 677 H      0.00   0.13   0.11  -0.55   8.37     8.06
1suaC1 LEU 677 HA     0.00   0.22   0.63  -0.75   4.35     4.45
1suaC1 LEU 677 HB2    0.00  -0.01   0.10  -0.04   1.64     1.69
1suaC1 LEU 677 HB3    0.00   0.00   0.07  -0.04   1.64     1.67
1suaC1 LEU 677 HG     0.00   0.15  -0.15  -0.04   1.64     1.60
1suaC1 LEU 677 HD13   0.00  -0.01   0.00  -0.04   0.93     0.88
1suaC1 LEU 677 HD23   0.00   0.01  -0.05  -0.04   0.89     0.81