=============================================================================
          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    -5.727  -0.667  -5.365  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1yl8A14 CYS   2 H      0.06   0.19  -0.11  -0.55   8.50     8.09
1yl8A14 CYS   2 HA     0.05  -0.06   0.13  -0.75   4.58     3.95
1yl8A14 CYS   2 HB2    0.03   0.07   0.02  -0.04   2.97     3.05
1yl8A14 CYS   2 HB3    0.02  -0.24  -0.04  -0.04   2.97     2.67
1yl8A14 TYR   3 H      0.16   0.20   0.00  -0.55   8.29     8.10
1yl8A14 TYR   3 HA     0.00   0.21   0.51  -0.75   4.56     4.53
1yl8A14 TYR   3 HB2    0.00   0.03   0.04  -0.04   3.06     3.08
1yl8A14 TYR   3 HB3    0.00   0.01   0.12  -0.04   2.98     3.07
1yl8A14 TYR   3 HD2    0.00   0.00   0.03  -0.04   7.15     7.15
1yl8A14 TYR   3 HE2    0.00   0.01   0.01  -0.04   6.85     6.83
1yl8A14 LYS   5 H     -0.05   0.20   0.06  -0.55   8.42     8.07
1yl8A14 LYS   5 HA    -0.03  -0.12   0.22  -0.75   4.32     3.63
1yl8A14 LYS   5 HB2   -0.02   0.00   0.09  -0.04   1.87     1.90
1yl8A14 LYS   5 HB3   -0.03   0.04   0.07  -0.04   1.79     1.83
1yl8A14 LYS   5 HG2   -0.01   0.01  -0.18  -0.04   1.46     1.24
1yl8A14 LYS   5 HG3   -0.02   0.03  -0.02  -0.04   1.46     1.41
1yl8A14 LYS   5 HD2   -0.02  -0.08  -0.08  -0.04   1.69     1.47
1yl8A14 LYS   5 HD3   -0.01   0.03  -0.12  -0.04   1.68     1.54
1yl8A14 LYS   5 HE2   -0.03   0.00   0.03  -0.04   2.99     2.95
1yl8A14 LYS   5 HE3   -0.02   0.01   0.04  -0.04   2.99     2.97
1yl8A14 THR   6 H     -0.02   0.22  -0.14  -0.55   8.28     7.80
1yl8A14 THR   6 HA    -0.00   0.09   0.24  -0.75   4.39     3.97
1yl8A14 THR   6 HB     0.01   0.03  -0.04  -0.04   4.32     4.28
1yl8A14 THR   6 HG23   0.02   0.01  -0.15  -0.04   1.22     1.05
1yl8A14 CYS   7 H     -0.00  -0.01  -0.34  -0.55   8.50     7.59
1yl8A14 CYS   7 HA    -0.00   0.21   0.32  -0.75   4.58     4.35
1yl8A14 CYS   7 HB2    0.00   0.03   0.20  -0.04   2.97     3.16
1yl8A14 CYS   7 HB3    0.01   0.07  -0.08  -0.04   2.97     2.92
1yl8A14 THR   8 H     -0.01   0.21  -0.40  -0.55   8.28     7.53
1yl8A14 THR   8 HA    -0.01   0.25   0.63  -0.75   4.39     4.52
1yl8A14 THR   8 HB    -0.01   0.06   0.04  -0.04   4.32     4.37
1yl8A14 THR   8 HG23   0.00   0.01  -0.24  -0.04   1.22     0.95