=============================================================================
          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.
       PHE  2     1.000    20.858   9.872 -32.370  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3jzhB1 ASP  77 HA     0.05  -0.11   0.23  -0.75   4.63     4.04
3jzhB1 ASP  77 HB2    0.03  -0.04   0.05  -0.04   2.71     2.71
3jzhB1 ASP  77 HB3    0.05  -0.02   0.09  -0.04   2.70     2.77
3jzhB1 PHE  78 H      0.19   0.07   0.02  -0.55   8.34     8.08
3jzhB1 PHE  78 HA     0.00   0.10   0.26  -0.75   4.62     4.22
3jzhB1 PHE  78 HB2    0.00  -0.11   0.05  -0.04   3.15     3.05
3jzhB1 PHE  78 HB3    0.00   0.16  -0.25  -0.04   3.06     2.94
3jzhB1 PHE  78 HD2    0.00  -0.01  -0.02  -0.04   7.28     7.21
3jzhB1 PHE  78 HE2    0.00  -0.02   0.01  -0.04   7.38     7.32
3jzhB1 PHE  78 HZ     0.00  -0.05  -0.00  -0.04   7.32     7.22
3jzhB1 THR  80 HA    -0.02  -0.05   0.31  -0.75   4.39     3.88
3jzhB1 THR  80 HB    -0.09   0.02   0.10  -0.04   4.32     4.31
3jzhB1 THR  80 HG23  -0.29  -0.00  -0.03  -0.04   1.22     0.85
3jzhB1 ASP  81 H      0.02   0.09   0.00  -0.55   8.40     7.96
3jzhB1 ASP  81 HA     0.26   0.27   0.70  -0.75   4.63     5.11
3jzhB1 ASP  81 HB2    0.08  -0.00   0.06  -0.04   2.71     2.80
3jzhB1 ASP  81 HB3    0.12   0.04   0.01  -0.04   2.70     2.82