=============================================================================
          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    -6.377   0.949  -4.855  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1yl8A13 CYS   2 H      0.03   0.17  -0.18  -0.55   8.50     7.98
1yl8A13 CYS   2 HA     0.05  -0.03   0.12  -0.75   4.58     3.97
1yl8A13 CYS   2 HB2    0.03   0.05   0.01  -0.04   2.97     3.02
1yl8A13 CYS   2 HB3    0.04  -0.23  -0.06  -0.04   2.97     2.67
1yl8A13 TYR   3 H      0.16   0.21   0.00  -0.55   8.29     8.11
1yl8A13 TYR   3 HA     0.00   0.17   0.40  -0.75   4.56     4.37
1yl8A13 TYR   3 HB2    0.00   0.03   0.07  -0.04   3.06     3.12
1yl8A13 TYR   3 HB3    0.00   0.01   0.12  -0.04   2.98     3.07
1yl8A13 TYR   3 HD2    0.00   0.01   0.06  -0.04   7.15     7.17
1yl8A13 TYR   3 HE2    0.00   0.01   0.01  -0.04   6.85     6.83
1yl8A13 LYS   5 H      0.01   0.19   0.06  -0.55   8.42     8.12
1yl8A13 LYS   5 HA     0.02  -0.10   0.22  -0.75   4.32     3.71
1yl8A13 LYS   5 HB2    0.01  -0.02   0.11  -0.04   1.87     1.92
1yl8A13 LYS   5 HB3    0.01   0.04   0.09  -0.04   1.79     1.89
1yl8A13 LYS   5 HG2    0.00   0.00  -0.12  -0.04   1.46     1.30
1yl8A13 LYS   5 HG3    0.00   0.03  -0.01  -0.04   1.46     1.44
1yl8A13 LYS   5 HD2   -0.01  -0.03  -0.07  -0.04   1.69     1.55
1yl8A13 LYS   5 HD3   -0.01   0.02  -0.09  -0.04   1.68     1.56
1yl8A13 LYS   5 HE2   -0.01   0.01  -0.00  -0.04   2.99     2.95
1yl8A13 LYS   5 HE3   -0.01  -0.01   0.02  -0.04   2.99     2.95
1yl8A13 THR   6 H      0.02   0.25  -0.66  -0.55   8.28     7.34
1yl8A13 THR   6 HA     0.00   0.09   0.19  -0.75   4.39     3.92
1yl8A13 THR   6 HB     0.00   0.07  -0.04  -0.04   4.32     4.32
1yl8A13 THR   6 HG23   0.04  -0.00  -0.32  -0.04   1.22     0.90
1yl8A13 CYS   7 H      0.02  -0.03  -0.43  -0.55   8.50     7.50
1yl8A13 CYS   7 HA     0.01   0.19   0.28  -0.75   4.58     4.31
1yl8A13 CYS   7 HB2    0.01   0.03   0.19  -0.04   2.97     3.16
1yl8A13 CYS   7 HB3    0.01   0.03  -0.07  -0.04   2.97     2.90
1yl8A13 THR   8 H      0.01   0.19  -0.41  -0.55   8.28     7.53
1yl8A13 THR   8 HA     0.01   0.27   0.64  -0.75   4.39     4.56
1yl8A13 THR   8 HB     0.02   0.06   0.02  -0.04   4.32     4.38
1yl8A13 THR   8 HG23   0.03  -0.01  -0.19  -0.04   1.22     1.01