=============================================================================
          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    -7.591  63.439  29.312  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
4r1rP1 TYR   1 HA     0.00  -0.04   0.17  -0.75   4.56     3.93
4r1rP1 TYR   1 HB2    0.00  -0.04  -0.08  -0.04   3.06     2.90
4r1rP1 TYR   1 HB3    0.00   0.01   0.02  -0.04   2.98     2.97
4r1rP1 TYR   1 HD2    0.00   0.00  -0.11  -0.04   7.15     7.00
4r1rP1 TYR   1 HE2    0.00   0.02  -0.03  -0.04   6.85     6.80
4r1rP1 LEU   2 H      0.12   0.13   0.04  -0.55   8.37     8.12
4r1rP1 LEU   2 HA    -0.04   0.29   1.16  -0.75   4.35     5.00
4r1rP1 LEU   2 HB2    0.03  -0.02   0.19  -0.04   1.64     1.80
4r1rP1 LEU   2 HB3    0.00   0.00  -0.02  -0.04   1.64     1.59
4r1rP1 LEU   2 HG     0.02  -0.02  -0.08  -0.04   1.64     1.52
4r1rP1 LEU   2 HD13   0.01  -0.00   0.01  -0.04   0.93     0.90
4r1rP1 LEU   2 HD23  -0.01   0.02  -0.04  -0.04   0.89     0.82
4r1rP1 VAL   3 H     -0.09   0.30  -0.05  -0.55   8.24     7.85
4r1rP1 VAL   3 HA     0.03   0.06   0.13  -0.75   4.13     3.59
4r1rP1 VAL   3 HB    -0.02  -0.03  -0.11  -0.04   2.12     1.92
4r1rP1 VAL   3 HG13   0.01   0.03  -0.07  -0.04   0.97     0.90
4r1rP1 VAL   3 HG23  -0.01   0.01   0.02  -0.04   0.95     0.93