=============================================================================
          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    69.039  33.582   9.452  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2opzE1 ALA   1 HA     0.02  -0.05   0.14  -0.75   4.34     3.70
2opzE1 ALA   1 HB3    0.03  -0.04   0.05  -0.04   1.41     1.40
2opzE1 VAL   2 H      0.05   0.12   0.11  -0.55   8.24     7.97
2opzE1 VAL   2 HA     0.03   0.29   1.10  -0.75   4.13     4.80
2opzE1 VAL   2 HB     0.06  -0.07   0.01  -0.04   2.12     2.09
2opzE1 VAL   2 HG13   0.05   0.06   0.01  -0.04   0.97     1.06
2opzE1 VAL   2 HG23   0.03  -0.01  -0.24  -0.04   0.95     0.68
2opzE1 PRO   3 HA    -0.03   0.09   0.56  -0.51   4.44     4.54
2opzE1 PRO   3 HB2    0.01  -0.01  -0.01  -0.04   2.28     2.23
2opzE1 PRO   3 HB3   -0.04   0.02   0.08  -0.04   2.02     2.03
2opzE1 PRO   3 HG2   -0.00   0.03   0.06  -0.04   2.03     2.07
2opzE1 PRO   3 HG3   -0.01   0.05  -0.01  -0.04   2.03     2.02
2opzE1 PRO   3 HD2    0.03   0.08   0.21  -0.04   3.68     3.96
2opzE1 PRO   3 HD3    0.02   0.26   0.24  -0.04   3.65     4.13
2opzE1 PHE   4 H     -0.24   0.37   0.07  -0.55   8.34     7.98
2opzE1 PHE   4 HA     0.00   0.14   0.31  -0.75   4.62     4.31
2opzE1 PHE   4 HB2    0.00  -0.00   0.06  -0.04   3.15     3.17
2opzE1 PHE   4 HB3    0.00   0.15  -0.28  -0.04   3.06     2.89
2opzE1 PHE   4 HD2    0.00   0.06  -0.04  -0.04   7.28     7.25
2opzE1 PHE   4 HE2    0.00   0.00   0.00  -0.04   7.38     7.35
2opzE1 PHE   4 HZ     0.00  -0.01   0.00  -0.04   7.32     7.28