=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 1 rings
        ring        int.           center             anis.    iso.
       TYR  1     0.840    22.645   8.144   6.978  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1kdzB1 TYR 1002 HA     0.00  -0.09   0.19  -0.75   4.56     3.90
1kdzB1 TYR 1002 HB2    0.00  -0.02   0.01  -0.04   3.06     3.00
1kdzB1 TYR 1002 HB3    0.00   0.05  -0.03  -0.04   2.98     2.96
1kdzB1 TYR 1002 HD2    0.00  -0.01   0.03  -0.04   7.15     7.13
1kdzB1 TYR 1002 HE2    0.00  -0.00   0.01  -0.04   6.85     6.82
1kdzB1 LEU 1003 H      0.11   0.09   0.00  -0.55   8.37     8.03
1kdzB1 LEU 1003 HA     0.04   0.19   0.57  -0.75   4.35     4.40
1kdzB1 LEU 1003 HB2    0.04  -0.01   0.09  -0.04   1.64     1.72
1kdzB1 LEU 1003 HB3    0.03   0.02   0.07  -0.04   1.64     1.71
1kdzB1 LEU 1003 HG     0.03  -0.03   0.00  -0.04   1.64     1.61
1kdzB1 LEU 1003 HD13   0.02  -0.00   0.01  -0.04   0.93     0.91
1kdzB1 LEU 1003 HD23   0.01   0.03  -0.11  -0.04   0.89     0.77