=============================================================================
          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  3     1.000    42.599  30.506   0.663  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2wfyE1 ARG   2 HA    -0.02  -0.14   0.21  -0.75   4.34     3.63
2wfyE1 ARG   2 HB2   -0.04   0.13  -0.01  -0.04   1.90     1.94
2wfyE1 ARG   2 HB3   -0.03  -0.07   0.05  -0.04   1.80     1.72
2wfyE1 ARG   2 HG2   -0.04  -0.06   0.02  -0.04   1.67     1.56
2wfyE1 ARG   2 HG3   -0.05  -0.03   0.01  -0.04   1.67     1.56
2wfyE1 ARG   2 HD2   -0.09   0.04  -0.07  -0.04   3.22     3.06
2wfyE1 ARG   2 HD3   -0.06   0.01  -0.02  -0.04   3.22     3.10
2wfyE1 ARG   3 H     -0.02   0.02   0.02  -0.55   8.46     7.92
2wfyE1 ARG   3 HA    -0.02   0.17   0.60  -0.75   4.34     4.34
2wfyE1 ARG   3 HB2   -0.00  -0.00   0.09  -0.04   1.90     1.94
2wfyE1 ARG   3 HB3   -0.02  -0.01   0.09  -0.04   1.80     1.82
2wfyE1 ARG   3 HG2   -0.01   0.05   0.10  -0.04   1.67     1.77
2wfyE1 ARG   3 HG3    0.01   0.00   0.07  -0.04   1.67     1.71
2wfyE1 ARG   3 HD2    0.02  -0.01   0.02  -0.04   3.22     3.20
2wfyE1 ARG   3 HD3    0.00  -0.03   0.01  -0.04   3.22     3.17
2wfyE1 PHE   5 HA     0.00   0.01   0.03  -0.75   4.62     3.91
2wfyE1 PHE   5 HB2    0.00  -0.01   0.04  -0.04   3.15     3.14
2wfyE1 PHE   5 HB3    0.00  -0.00   0.01  -0.04   3.06     3.03
2wfyE1 PHE   5 HD2    0.00  -0.01   0.00  -0.04   7.28     7.23
2wfyE1 PHE   5 HE2    0.00   0.00  -0.01  -0.04   7.38     7.33
2wfyE1 PHE   5 HZ     0.00   0.01  -0.02  -0.04   7.32     7.27