=============================================================================
          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    -7.428  63.159  28.781  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2xawP1 TYR   1 HA     0.00  -0.10   0.20  -0.75   4.56     3.91
2xawP1 TYR   1 HB2    0.00  -0.03   0.02  -0.04   3.06     3.01
2xawP1 TYR   1 HB3    0.00  -0.04   0.05  -0.04   2.98     2.95
2xawP1 TYR   1 HD2    0.00   0.06  -0.14  -0.04   7.15     7.03
2xawP1 TYR   1 HE2    0.00   0.00  -0.04  -0.04   6.85     6.77
2xawP1 LEU   2 H      0.15   0.03   0.09  -0.55   8.37     8.09
2xawP1 LEU   2 HA    -0.00   0.17   0.38  -0.75   4.35     4.14
2xawP1 LEU   2 HB2    0.05  -0.01   0.07  -0.04   1.64     1.71
2xawP1 LEU   2 HB3    0.02  -0.05   0.03  -0.04   1.64     1.60
2xawP1 LEU   2 HG     0.03  -0.01  -0.04  -0.04   1.64     1.57
2xawP1 LEU   2 HD13   0.01  -0.00  -0.01  -0.04   0.93     0.89
2xawP1 LEU   2 HD23  -0.01   0.03  -0.09  -0.04   0.89     0.78
2xawP1 VAL   3 H      0.00   0.04   0.07  -0.55   8.24     7.80
2xawP1 VAL   3 HA     0.01   0.03   0.19  -0.75   4.13     3.61
2xawP1 VAL   3 HB     0.04   0.03  -0.15  -0.04   2.12     2.00
2xawP1 VAL   3 HG13   0.04   0.02   0.09  -0.04   0.97     1.08
2xawP1 VAL   3 HG23   0.01  -0.01   0.02  -0.04   0.95     0.94