=============================================================================
          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    -7.424  63.348  29.142  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2xayP1 TYR   1 HA     0.00  -0.09   0.20  -0.75   4.56     3.92
2xayP1 TYR   1 HB2    0.00   0.01   0.02  -0.04   3.06     3.05
2xayP1 TYR   1 HB3    0.00  -0.03   0.05  -0.04   2.98     2.95
2xayP1 TYR   1 HD2    0.00   0.07  -0.10  -0.04   7.15     7.08
2xayP1 TYR   1 HE2    0.00   0.00  -0.04  -0.04   6.85     6.77
2xayP1 LEU   2 H      0.13   0.06   0.09  -0.55   8.37     8.10
2xayP1 LEU   2 HA    -0.03   0.14   0.51  -0.75   4.35     4.22
2xayP1 LEU   2 HB2    0.04   0.01   0.05  -0.04   1.64     1.70
2xayP1 LEU   2 HB3    0.01  -0.05   0.05  -0.04   1.64     1.61
2xayP1 LEU   2 HG     0.03  -0.02  -0.00  -0.04   1.64     1.61
2xayP1 LEU   2 HD13   0.01  -0.00  -0.00  -0.04   0.93     0.89
2xayP1 LEU   2 HD23  -0.01   0.02  -0.13  -0.04   0.89     0.74
2xayP1 VAL   3 H     -0.01   0.07   0.07  -0.55   8.24     7.83
2xayP1 VAL   3 HA    -0.00   0.04   0.19  -0.75   4.13     3.61
2xayP1 VAL   3 HB     0.03   0.04  -0.16  -0.04   2.12     1.98
2xayP1 VAL   3 HG13   0.02   0.01   0.04  -0.04   0.97     1.00
2xayP1 VAL   3 HG23   0.01  -0.00   0.02  -0.04   0.95     0.93