=============================================================================
          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    -6.121  -0.769  -5.362  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1yl8A20 CYS   2 H      0.01   0.18  -0.14  -0.55   8.50     7.99
1yl8A20 CYS   2 HA     0.05  -0.05   0.12  -0.75   4.58     3.94
1yl8A20 CYS   2 HB2    0.00   0.06   0.02  -0.04   2.97     3.01
1yl8A20 CYS   2 HB3    0.02  -0.23  -0.07  -0.04   2.97     2.64
1yl8A20 TYR   3 H      0.15   0.20  -0.00  -0.55   8.29     8.09
1yl8A20 TYR   3 HA     0.00   0.20   0.44  -0.75   4.56     4.45
1yl8A20 TYR   3 HB2    0.00   0.01   0.06  -0.04   3.06     3.08
1yl8A20 TYR   3 HB3    0.00   0.02   0.11  -0.04   2.98     3.07
1yl8A20 TYR   3 HD2    0.00  -0.01   0.04  -0.04   7.15     7.14
1yl8A20 TYR   3 HE2    0.00   0.01   0.01  -0.04   6.85     6.83
1yl8A20 LYS   5 H      0.04   0.19   0.06  -0.55   8.42     8.15
1yl8A20 LYS   5 HA     0.02  -0.01   0.23  -0.75   4.32     3.81
1yl8A20 LYS   5 HB2    0.01  -0.00   0.11  -0.04   1.87     1.95
1yl8A20 LYS   5 HB3    0.02   0.04   0.08  -0.04   1.79     1.89
1yl8A20 LYS   5 HG2    0.01  -0.01  -0.18  -0.04   1.46     1.24
1yl8A20 LYS   5 HG3    0.01   0.03  -0.02  -0.04   1.46     1.44
1yl8A20 LYS   5 HD2    0.02  -0.05  -0.09  -0.04   1.69     1.53
1yl8A20 LYS   5 HD3    0.01   0.02  -0.08  -0.04   1.68     1.59
1yl8A20 LYS   5 HE2    0.01   0.02   0.01  -0.04   2.99     2.99
1yl8A20 LYS   5 HE3    0.02  -0.00   0.05  -0.04   2.99     3.03
1yl8A20 THR   6 H      0.03   0.24  -0.20  -0.55   8.28     7.80
1yl8A20 THR   6 HA     0.02   0.09   0.21  -0.75   4.39     3.95
1yl8A20 THR   6 HB     0.03   0.04  -0.06  -0.04   4.32     4.28
1yl8A20 THR   6 HG23   0.04  -0.00  -0.21  -0.04   1.22     1.01
1yl8A20 CYS   7 H      0.01  -0.02  -0.43  -0.55   8.50     7.52
1yl8A20 CYS   7 HA     0.01   0.17   0.11  -0.75   4.58     4.11
1yl8A20 CYS   7 HB2    0.01   0.02   0.21  -0.04   2.97     3.16
1yl8A20 CYS   7 HB3    0.01   0.09   0.04  -0.04   2.97     3.07
1yl8A20 THR   8 H      0.01   0.29  -0.37  -0.55   8.28     7.66
1yl8A20 THR   8 HA    -0.00   0.26   0.68  -0.75   4.39     4.58
1yl8A20 THR   8 HB    -0.01   0.07   0.04  -0.04   4.32     4.38
1yl8A20 THR   8 HG23  -0.00  -0.01  -0.20  -0.04   1.22     0.97