=============================================================================
          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    61.855  20.233  34.799  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1a94C1 ARG   1 HA     0.02  -0.06   0.19  -0.75   4.34     3.73
1a94C1 ARG   1 HB2    0.01  -0.01   0.00  -0.04   1.90     1.86
1a94C1 ARG   1 HB3    0.01  -0.02  -0.14  -0.04   1.80     1.61
1a94C1 ARG   1 HG2    0.01   0.00   0.02  -0.04   1.67     1.66
1a94C1 ARG   1 HG3    0.01   0.01  -0.02  -0.04   1.67     1.63
1a94C1 ARG   1 HD2    0.01   0.01  -0.00  -0.04   3.22     3.20
1a94C1 ARG   1 HD3    0.01  -0.01   0.03  -0.04   3.22     3.21
1a94C1 VAL   2 H      0.03   0.20   0.03  -0.55   8.24     7.95
1a94C1 VAL   2 HA     0.04   0.13   0.79  -0.75   4.13     4.34
1a94C1 VAL   2 HB     0.05   0.01   0.21  -0.04   2.12     2.35
1a94C1 VAL   2 HG13   0.06  -0.02   0.01  -0.04   0.97     0.97
1a94C1 VAL   2 HG23   0.02   0.02  -0.11  -0.04   0.95     0.84
1a94C1 LEU   3 H      0.05   0.21  -0.02  -0.55   8.37     8.07
1a94C1 LEU   3 HA     0.03   0.29   0.83  -0.75   4.35     4.74
1a94C1 LEU   3 HB2    0.02  -0.00   0.06  -0.04   1.64     1.67
1a94C1 LEU   3 HB3   -0.00   0.02   0.12  -0.04   1.64     1.75
1a94C1 LEU   3 HG     0.02  -0.09  -0.31  -0.04   1.64     1.22
1a94C1 LEU   3 HD13   0.01   0.01  -0.05  -0.04   0.93     0.85
1a94C1 LEU   3 HD23   0.01   0.04  -0.14  -0.04   0.89     0.75
1a94C1 PHE   4 H      0.18   0.07  -0.48  -0.55   8.34     7.56
1a94C1 PHE   4 HA     0.00   0.02   0.41  -0.75   4.62     4.30
1a94C1 PHE   4 HB2    0.00  -0.00   0.04  -0.04   3.15     3.15
1a94C1 PHE   4 HB3    0.00   0.03   0.03  -0.04   3.06     3.07
1a94C1 PHE   4 HD2    0.00   0.01  -0.07  -0.04   7.28     7.18
1a94C1 PHE   4 HE2    0.00   0.01  -0.11  -0.04   7.38     7.24
1a94C1 PHE   4 HZ     0.00  -0.01  -0.10  -0.04   7.32     7.17
1a94C1 GLU   5 H     -0.53   0.18   0.12  -0.55   8.60     7.81
1a94C1 GLU   5 HA    -0.55   0.08   0.66  -0.75   4.29     3.73
1a94C1 GLU   5 HB2   -0.18   0.16  -0.18  -0.04   2.09     1.85
1a94C1 GLU   5 HB3   -0.18  -0.03   0.07  -0.04   1.99     1.81
1a94C1 GLU   5 HG2   -0.16   0.01   0.01  -0.04   2.34     2.17
1a94C1 GLU   5 HG3   -0.10  -0.01  -0.02  -0.04   2.34     2.17
1a94C1 ALA   6 H     -0.44   0.25   0.01  -0.55   8.40     7.67
1a94C1 ALA   6 HA    -0.14   0.30   0.87  -0.75   4.34     4.61
1a94C1 ALA   6 HB3    0.03   0.02  -0.01  -0.04   1.41     1.41