=============================================================================
          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    -7.440  63.516  29.223  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3r1rP1 TYR   1 HA     0.00  -0.02   0.13  -0.75   4.56     3.91
3r1rP1 TYR   1 HB2    0.00  -0.13   0.04  -0.04   3.06     2.93
3r1rP1 TYR   1 HB3    0.00   0.02   0.04  -0.04   2.98     3.00
3r1rP1 TYR   1 HD2    0.00   0.01  -0.07  -0.04   7.15     7.04
3r1rP1 TYR   1 HE2    0.00   0.02  -0.03  -0.04   6.85     6.80
3r1rP1 LEU   2 H      0.18   0.14  -0.03  -0.55   8.37     8.11
3r1rP1 LEU   2 HA    -0.06   0.20   0.86  -0.75   4.35     4.60
3r1rP1 LEU   2 HB2    0.04  -0.03   0.03  -0.04   1.64     1.64
3r1rP1 LEU   2 HB3    0.03  -0.02   0.27  -0.04   1.64     1.89
3r1rP1 LEU   2 HG     0.00   0.02  -0.05  -0.04   1.64     1.57
3r1rP1 LEU   2 HD13   0.01  -0.01   0.02  -0.04   0.93     0.91
3r1rP1 LEU   2 HD23  -0.02   0.02  -0.00  -0.04   0.89     0.84
3r1rP1 VAL   3 H     -0.04   0.22  -0.15  -0.55   8.24     7.72
3r1rP1 VAL   3 HA     0.11   0.05   0.16  -0.75   4.13     3.69
3r1rP1 VAL   3 HB     0.01   0.09  -0.43  -0.04   2.12     1.75
3r1rP1 VAL   3 HG13   0.02   0.00   0.03  -0.04   0.97     0.98
3r1rP1 VAL   3 HG23  -0.02   0.01  -0.02  -0.04   0.95     0.89