=============================================================================
          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
=============================================================================
1cfaB1 CYS  72 HA     0.00  -0.04   0.18  -0.75   4.58     3.97
1cfaB1 CYS  72 HB2    0.00  -0.03  -0.03  -0.04   2.97     2.87
1cfaB1 CYS  72 HB3    0.00  -0.00   0.03  -0.04   2.97     2.96
1cfaB1 LEU  73 H      0.00   0.05   0.07  -0.55   8.37     7.95
1cfaB1 LEU  73 HA     0.00  -0.04   0.32  -0.75   4.35     3.88
1cfaB1 LEU  73 HB2    0.00  -0.06   0.08  -0.04   1.64     1.62
1cfaB1 LEU  73 HB3    0.00  -0.00   0.13  -0.04   1.64     1.73
1cfaB1 LEU  73 HG     0.00   0.08  -0.16  -0.04   1.64     1.52
1cfaB1 LEU  73 HD13   0.00  -0.03  -0.13  -0.04   0.93     0.74
1cfaB1 LEU  73 HD23   0.00   0.01   0.02  -0.04   0.89     0.87
1cfaB1 GLY  74 H      0.00   0.04   0.09  -0.55   8.43     8.01
1cfaB1 GLY  74 HA2    0.00   0.27   0.56  -0.51   4.01     4.32
1cfaB1 GLY  74 HA3    0.00  -0.00   0.21  -0.51   4.01     3.71