=============================================================================
          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    -8.367  -2.098   4.564  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1bfzA16 SER   5 H     -0.11   0.14   0.04  -0.55   8.46     7.98
1bfzA16 SER   5 HA    -0.21  -0.02   0.20  -0.75   4.49     3.71
1bfzA16 SER   5 HB2   -1.18  -0.05  -0.03  -0.04   3.95     2.65
1bfzA16 SER   5 HB3   -0.63  -0.00  -0.03  -0.04   3.93     3.23
1bfzA16 TYR   4 H     -0.20   0.14   0.05  -0.55   8.29     7.72
1bfzA16 TYR   4 HA     0.00   0.19   0.69  -0.75   4.56     4.68
1bfzA16 TYR   4 HB2    0.00   0.01  -0.10  -0.04   3.06     2.93
1bfzA16 TYR   4 HB3    0.00  -0.02   0.06  -0.04   2.98     2.98
1bfzA16 TYR   4 HD2    0.00   0.03  -0.07  -0.04   7.15     7.07
1bfzA16 TYR   4 HE2    0.00   0.02  -0.04  -0.04   6.85     6.78
1bfzA16 VAL   3 H      0.14   0.15   0.11  -0.55   8.24     8.09
1bfzA16 VAL   3 HA     0.05   0.12   0.66  -0.75   4.13     4.21
1bfzA16 VAL   3 HB     0.04  -0.02   0.19  -0.04   2.12     2.29
1bfzA16 VAL   3 HG13   0.02  -0.00  -0.09  -0.04   0.97     0.86
1bfzA16 VAL   3 HG23   0.04   0.02   0.05  -0.04   0.95     1.02
1bfzA16 LYS   2 H      0.04   0.29   0.10  -0.55   8.42     8.30
1bfzA16 LYS   2 HA     0.06   0.08   0.29  -0.75   4.32     3.99
1bfzA16 LYS   2 HB2    0.03   0.01   0.20  -0.04   1.87     2.06
1bfzA16 LYS   2 HB3    0.03   0.01   0.10  -0.04   1.79     1.89
1bfzA16 LYS   2 HG2    0.03   0.13   0.09  -0.04   1.46     1.66
1bfzA16 LYS   2 HG3    0.02  -0.01   0.04  -0.04   1.46     1.47
1bfzA16 LYS   2 HD2    0.12  -0.07  -0.32  -0.04   1.69     1.37
1bfzA16 LYS   2 HD3    0.05  -0.03  -0.00  -0.04   1.68     1.65
1bfzA16 LYS   2 HE2    0.05   0.01  -0.01  -0.04   2.99     3.00
1bfzA16 LYS   2 HE3    0.07   0.02  -0.04  -0.04   2.99     2.99
1bfzA16 ALA   1 H      0.03   0.47  -0.08  -0.55   8.40     8.26
1bfzA16 ALA   1 HA     0.01   0.14   0.38  -0.75   4.34     4.11
1bfzA16 ALA   1 HB3    0.01   0.03  -0.11  -0.04   1.41     1.29