=============================================================================
          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  2     0.840    -6.158   0.006  -5.421  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1yl8A17 CYS   2 H      0.05   0.22  -0.04  -0.55   8.50     8.19
1yl8A17 CYS   2 HA     0.05  -0.06   0.15  -0.75   4.58     3.97
1yl8A17 CYS   2 HB2    0.02  -0.16  -0.10  -0.04   2.97     2.69
1yl8A17 CYS   2 HB3    0.02   0.01  -0.12  -0.04   2.97     2.84
1yl8A17 TYR   3 H      0.16   0.19  -0.00  -0.55   8.29     8.09
1yl8A17 TYR   3 HA     0.00   0.23   0.58  -0.75   4.56     4.62
1yl8A17 TYR   3 HB2    0.00   0.02   0.02  -0.04   3.06     3.05
1yl8A17 TYR   3 HB3    0.00   0.01   0.11  -0.04   2.98     3.06
1yl8A17 TYR   3 HD2    0.00  -0.01   0.02  -0.04   7.15     7.13
1yl8A17 TYR   3 HE2    0.00   0.01   0.01  -0.04   6.85     6.83
1yl8A17 LYS   5 H     -0.02   0.19   0.03  -0.55   8.42     8.07
1yl8A17 LYS   5 HA    -0.01  -0.12   0.22  -0.75   4.32     3.66
1yl8A17 LYS   5 HB2   -0.01  -0.01   0.14  -0.04   1.87     1.95
1yl8A17 LYS   5 HB3   -0.02   0.07   0.09  -0.04   1.79     1.89
1yl8A17 LYS   5 HG2   -0.01   0.03   0.01  -0.04   1.46     1.45
1yl8A17 LYS   5 HG3   -0.01   0.01   0.04  -0.04   1.46     1.46
1yl8A17 LYS   5 HD2    0.00  -0.02  -0.32  -0.04   1.69     1.31
1yl8A17 LYS   5 HD3    0.00   0.01  -0.15  -0.04   1.68     1.50
1yl8A17 LYS   5 HE2    0.00   0.01   0.02  -0.04   2.99     2.98
1yl8A17 LYS   5 HE3    0.01   0.01  -0.05  -0.04   2.99     2.92
1yl8A17 THR   6 H      0.01   0.20  -0.17  -0.55   8.28     7.77
1yl8A17 THR   6 HA     0.01   0.15   0.44  -0.75   4.39     4.24
1yl8A17 THR   6 HB     0.03   0.05  -0.05  -0.04   4.32     4.30
1yl8A17 THR   6 HG23   0.04  -0.03  -0.18  -0.04   1.22     1.00
1yl8A17 CYS   7 H      0.01  -0.01  -0.24  -0.55   8.50     7.70
1yl8A17 CYS   7 HA     0.00   0.16  -0.06  -0.75   4.58     3.93
1yl8A17 CYS   7 HB2    0.01   0.02   0.19  -0.04   2.97     3.14
1yl8A17 CYS   7 HB3    0.01   0.17   0.23  -0.04   2.97     3.34
1yl8A17 THR   8 H     -0.00   0.10  -0.39  -0.55   8.28     7.44
1yl8A17 THR   8 HA    -0.01   0.24   0.45  -0.75   4.39     4.32
1yl8A17 THR   8 HB    -0.01   0.08   0.07  -0.04   4.32     4.41
1yl8A17 THR   8 HG23  -0.01  -0.00  -0.22  -0.04   1.22     0.95