=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 2 rings
        ring        int.           center             anis.    iso.
       TYR  2     0.840    50.606  41.782  11.215  -99.200  -91.000
       PHE  3     1.000    46.706  37.624  17.641  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3f2kC1 LEU  13 HA     0.06  -0.05   0.14  -0.75   4.35     3.74
3f2kC1 TYR  14 H     -0.36   0.15   0.09  -0.55   8.29     7.62
3f2kC1 TYR  14 HA    -0.24   0.18   0.83  -0.75   4.56     4.58
3f2kC1 TYR  14 HB2   -0.09  -0.02   0.05  -0.04   3.06     2.96
3f2kC1 TYR  14 HB3   -0.08   0.01  -0.08  -0.04   2.98     2.79
3f2kC1 TYR  14 HD2    0.00   0.09  -0.15  -0.04   7.15     7.04
3f2kC1 TYR  14 HE2    0.01   0.03  -0.04  -0.04   6.85     6.81
3f2kC1 PHE  15 H     -0.12   0.12   0.12  -0.55   8.34     7.91
3f2kC1 PHE  15 HA    -0.02  -0.00   0.31  -0.75   4.62     4.15
3f2kC1 PHE  15 HB2    0.09   0.02   0.16  -0.04   3.15     3.38
3f2kC1 PHE  15 HB3    0.04  -0.02   0.00  -0.04   3.06     3.04
3f2kC1 PHE  15 HD2    0.02   0.00   0.01  -0.04   7.28     7.27
3f2kC1 PHE  15 HE2    0.01   0.01   0.00  -0.04   7.38     7.37
3f2kC1 PHE  15 HZ     0.01   0.01   0.01  -0.04   7.32     7.31
3f2kC1 ALA  16 H      0.06   0.15   0.15  -0.55   8.40     8.21
3f2kC1 ALA  16 HA     0.01   0.10   0.36  -0.75   4.34     4.05
3f2kC1 ALA  16 HB3    0.01   0.02   0.08  -0.04   1.41     1.47