=============================================================================
          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    -7.281  63.369  29.285  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2xavP1 TYR   1 HA     0.00  -0.09   0.20  -0.75   4.56     3.92
2xavP1 TYR   1 HB2    0.00   0.01   0.04  -0.04   3.06     3.07
2xavP1 TYR   1 HB3    0.00  -0.03   0.05  -0.04   2.98     2.97
2xavP1 TYR   1 HD2    0.00   0.06  -0.13  -0.04   7.15     7.04
2xavP1 TYR   1 HE2    0.00  -0.01  -0.05  -0.04   6.85     6.75
2xavP1 LEU   2 H      0.13   0.08   0.10  -0.55   8.37     8.14
2xavP1 LEU   2 HA    -0.03   0.21   0.77  -0.75   4.35     4.55
2xavP1 LEU   2 HB2    0.03  -0.01  -0.04  -0.04   1.64     1.58
2xavP1 LEU   2 HB3    0.01  -0.05   0.09  -0.04   1.64     1.64
2xavP1 LEU   2 HG     0.04  -0.01   0.03  -0.04   1.64     1.66
2xavP1 LEU   2 HD13   0.01  -0.00  -0.01  -0.04   0.93     0.89
2xavP1 LEU   2 HD23  -0.00   0.00  -0.19  -0.04   0.89     0.66
2xavP1 VAL   3 H      0.00   0.11   0.06  -0.55   8.24     7.87
2xavP1 VAL   3 HA     0.05   0.15   0.37  -0.75   4.13     3.95
2xavP1 VAL   3 HB     0.01  -0.01   0.11  -0.04   2.12     2.18
2xavP1 VAL   3 HG13   0.01   0.01   0.04  -0.04   0.97     0.98
2xavP1 VAL   3 HG23   0.01   0.02   0.03  -0.04   0.95     0.96