=============================================================================
          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    -7.705  64.481  29.226  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1r1rP1 TYR   1 HA     0.00  -0.05   0.17  -0.75   4.56     3.93
1r1rP1 TYR   1 HB2    0.00  -0.05  -0.05  -0.04   3.06     2.92
1r1rP1 TYR   1 HB3    0.00   0.01   0.03  -0.04   2.98     2.98
1r1rP1 TYR   1 HD2    0.00  -0.03  -0.08  -0.04   7.15     7.00
1r1rP1 TYR   1 HE2    0.00   0.01  -0.01  -0.04   6.85     6.81
1r1rP1 LEU   2 H      0.12   0.13   0.00  -0.55   8.37     8.07
1r1rP1 LEU   2 HA    -0.03   0.37   1.30  -0.75   4.35     5.24
1r1rP1 LEU   2 HB2    0.02  -0.03   0.22  -0.04   1.64     1.81
1r1rP1 LEU   2 HB3   -0.00   0.04   0.07  -0.04   1.64     1.70
1r1rP1 LEU   2 HG     0.03  -0.03   0.04  -0.04   1.64     1.63
1r1rP1 LEU   2 HD13   0.02  -0.00   0.05  -0.04   0.93     0.95
1r1rP1 LEU   2 HD23  -0.00   0.02  -0.05  -0.04   0.89     0.82
1r1rP1 VAL   3 H      0.08   0.28  -0.22  -0.55   8.24     7.83
1r1rP1 VAL   3 HA     0.13   0.06   0.13  -0.75   4.13     3.69
1r1rP1 VAL   3 HB     0.03   0.10  -0.38  -0.04   2.12     1.82
1r1rP1 VAL   3 HG13   0.03   0.00   0.03  -0.04   0.97     0.99
1r1rP1 VAL   3 HG23   0.01   0.01  -0.02  -0.04   0.95     0.91