=============================================================================
          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     2.546   5.579   4.701  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1yl9A7 CYS   3 H      0.02   0.21   0.01  -0.55   8.50     8.19
1yl9A7 CYS   3 HA     0.04  -0.36   0.06  -0.75   4.58     3.58
1yl9A7 CYS   3 HB2    0.01   0.06   0.05  -0.04   2.97     3.05
1yl9A7 CYS   3 HB3    0.02  -0.02   0.15  -0.04   2.97     3.08
1yl9A7 TYR   4 H      0.15   0.21  -0.04  -0.55   8.29     8.06
1yl9A7 TYR   4 HA     0.00   0.22   0.36  -0.75   4.56     4.38
1yl9A7 TYR   4 HB2    0.00   0.01   0.05  -0.04   3.06     3.08
1yl9A7 TYR   4 HB3    0.00   0.02   0.13  -0.04   2.98     3.09
1yl9A7 TYR   4 HD2    0.00   0.00   0.07  -0.04   7.15     7.18
1yl9A7 TYR   4 HE2    0.00   0.02   0.02  -0.04   6.85     6.84
1yl9A7 LYS   6 H      0.07   0.41  -0.03  -0.55   8.42     8.31
1yl9A7 LYS   6 HA     0.03  -0.02   0.12  -0.75   4.32     3.69
1yl9A7 LYS   6 HB2    0.02   0.01   0.04  -0.04   1.87     1.90
1yl9A7 LYS   6 HB3    0.02   0.01   0.12  -0.04   1.79     1.89
1yl9A7 LYS   6 HG2    0.03  -0.01   0.05  -0.04   1.46     1.49
1yl9A7 LYS   6 HG3    0.02   0.01   0.04  -0.04   1.46     1.48
1yl9A7 LYS   6 HD2    0.02  -0.01   0.06  -0.04   1.69     1.72
1yl9A7 LYS   6 HD3    0.03   0.04   0.12  -0.04   1.68     1.83
1yl9A7 LYS   6 HE2    0.01   0.01   0.05  -0.04   2.99     3.02
1yl9A7 LYS   6 HE3    0.02  -0.01   0.04  -0.04   2.99     3.00
1yl9A7 THR   7 H      0.05   0.11  -0.92  -0.55   8.28     6.97
1yl9A7 THR   7 HA     0.02   0.14   0.39  -0.75   4.39     4.19
1yl9A7 THR   7 HB     0.02   0.14   0.10  -0.04   4.32     4.54
1yl9A7 THR   7 HG23   0.05  -0.09  -0.20  -0.04   1.22     0.95
1yl9A7 CYS   8 H      0.03  -0.13  -0.46  -0.55   8.50     7.40
1yl9A7 CYS   8 HA     0.02  -0.01   0.24  -0.75   4.58     4.08
1yl9A7 CYS   8 HB2    0.01   0.13  -0.15  -0.04   2.97     2.92
1yl9A7 CYS   8 HB3    0.01   0.04   0.08  -0.04   2.97     3.07
1yl9A7 THR   9 H      0.02  -0.06  -0.21  -0.55   8.28     7.48
1yl9A7 THR   9 HA     0.01   0.22   0.01  -0.75   4.39     3.88
1yl9A7 THR   9 HB     0.01   0.05   0.03  -0.04   4.32     4.37
1yl9A7 THR   9 HG23   0.02   0.00  -0.08  -0.04   1.22     1.13