=============================================================================
          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    -7.470  63.241  28.704  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2xakP1 TYR   1 HA     0.00  -0.08   0.20  -0.75   4.56     3.93
2xakP1 TYR   1 HB2    0.00   0.01   0.02  -0.04   3.06     3.04
2xakP1 TYR   1 HB3    0.00  -0.03   0.04  -0.04   2.98     2.96
2xakP1 TYR   1 HD2    0.00   0.07  -0.16  -0.04   7.15     7.03
2xakP1 TYR   1 HE2    0.00  -0.01  -0.05  -0.04   6.85     6.75
2xakP1 LEU   2 H      0.14   0.08   0.09  -0.55   8.37     8.14
2xakP1 LEU   2 HA     0.00   0.11   0.56  -0.75   4.35     4.27
2xakP1 LEU   2 HB2    0.05   0.01   0.07  -0.04   1.64     1.72
2xakP1 LEU   2 HB3    0.02  -0.03   0.04  -0.04   1.64     1.63
2xakP1 LEU   2 HG     0.04  -0.02   0.01  -0.04   1.64     1.63
2xakP1 LEU   2 HD13   0.01  -0.00  -0.01  -0.04   0.93     0.89
2xakP1 LEU   2 HD23  -0.00   0.02  -0.19  -0.04   0.89     0.68
2xakP1 VAL   3 H      0.01   0.10   0.08  -0.55   8.24     7.88
2xakP1 VAL   3 HA     0.02   0.05   0.20  -0.75   4.13     3.64
2xakP1 VAL   3 HB     0.03   0.04  -0.25  -0.04   2.12     1.90
2xakP1 VAL   3 HG13   0.02   0.01   0.03  -0.04   0.97     0.99
2xakP1 VAL   3 HG23   0.01  -0.00   0.01  -0.04   0.95     0.93