=============================================================================
          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  3     0.840    40.891  56.750  25.505  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1o9fP1 GLN   1 HA    -0.06  -0.07   0.18  -0.75   4.36     3.66
1o9fP1 GLN   1 HB2   -0.07  -0.04   0.01  -0.04   2.15     2.01
1o9fP1 GLN   1 HB3   -0.09   0.09  -0.00  -0.04   2.02     1.98
1o9fP1 GLN   1 HG2   -0.04   0.00   0.03  -0.04   2.40     2.35
1o9fP1 GLN   1 HG3   -0.04  -0.01   0.06  -0.04   2.39     2.37
1o9fP1 GLN   1 HE21  -0.02  -0.01   0.01  -0.04   6.97     6.91
1o9fP1 GLN   1 HE22  -0.02   0.00   0.01  -0.04   7.69     7.64
1o9fP1 SER   2 H     -0.09   0.14   0.13  -0.55   8.46     8.10
1o9fP1 SER   2 HA    -0.27   0.19   0.88  -0.75   4.49     4.53
1o9fP1 SER   2 HB2   -0.04   0.01   0.01  -0.04   3.95     3.89
1o9fP1 SER   2 HB3   -0.03  -0.02   0.09  -0.04   3.93     3.94
1o9fP1 TYR   3 H     -0.10   0.11   0.08  -0.55   8.29     7.82
1o9fP1 TYR   3 HA     0.00   0.16   0.37  -0.75   4.56     4.34
1o9fP1 TYR   3 HB2    0.00  -0.01   0.11  -0.04   3.06     3.12
1o9fP1 TYR   3 HB3    0.00   0.04   0.07  -0.04   2.98     3.05
1o9fP1 TYR   3 HD2    0.00   0.01   0.02  -0.04   7.15     7.14
1o9fP1 TYR   3 HE2    0.00  -0.00  -0.01  -0.04   6.85     6.80
1o9fP1 VAL   5 HA     0.03  -0.01   0.07  -0.75   4.13     3.46
1o9fP1 VAL   5 HB     0.02  -0.01  -0.03  -0.04   2.12     2.06
1o9fP1 VAL   5 HG13   0.01   0.00   0.03  -0.04   0.97     0.98
1o9fP1 VAL   5 HG23   0.01  -0.00   0.01  -0.04   0.95     0.93