=============================================================================
          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  4     1.000    -0.459  -0.444   7.744  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1obzP1 ASP   5 HA     0.07  -0.08   0.11  -0.75   4.63     3.98
1obzP1 ASP   5 HB2    0.31   0.09   0.06  -0.04   2.71     3.12
1obzP1 ASP   5 HB3    0.28  -0.19   0.13  -0.04   2.70     2.87
1obzP1 SER   6 H      0.04   0.01   0.04  -0.55   8.46     8.01
1obzP1 SER   6 HA    -0.04   0.13   0.68  -0.75   4.49     4.50
1obzP1 SER   6 HB2   -0.19  -0.02   0.17  -0.04   3.95     3.87
1obzP1 SER   6 HB3   -0.08  -0.00   0.14  -0.04   3.93     3.94
1obzP1 VAL   7 H     -0.13   0.09   0.10  -0.55   8.24     7.74
1obzP1 VAL   7 HA    -0.03   0.11   0.63  -0.75   4.13     4.08
1obzP1 VAL   7 HB    -0.10  -0.00   0.10  -0.04   2.12     2.08
1obzP1 VAL   7 HG13  -0.03  -0.01  -0.12  -0.04   0.97     0.77
1obzP1 VAL   7 HG23  -0.03   0.01   0.02  -0.04   0.95     0.91
1obzP1 PHE   8 H      0.11   0.14   0.05  -0.55   8.34     8.09
1obzP1 PHE   8 HA     0.00   0.20   0.56  -0.75   4.62     4.63
1obzP1 PHE   8 HB2    0.00   0.03   0.05  -0.04   3.15     3.19
1obzP1 PHE   8 HB3    0.00   0.00   0.05  -0.04   3.06     3.07
1obzP1 PHE   8 HD2    0.00   0.04  -0.07  -0.04   7.28     7.21
1obzP1 PHE   8 HE2    0.00  -0.01  -0.05  -0.04   7.38     7.28
1obzP1 PHE   8 HZ     0.00  -0.03  -0.04  -0.04   7.32     7.21