=============================================================================
          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  1     1.000    35.917  10.430   7.762  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1danC1 PHE   2 HA     0.00  -0.10   0.19  -0.75   4.62     3.96
1danC1 PHE   2 HB2    0.00   0.01   0.02  -0.04   3.15     3.14
1danC1 PHE   2 HB3    0.00  -0.05  -0.05  -0.04   3.06     2.92
1danC1 PHE   2 HD2    0.00  -0.01   0.02  -0.04   7.28     7.25
1danC1 PHE   2 HE2    0.00   0.00   0.01  -0.04   7.38     7.35
1danC1 PHE   2 HZ     0.00   0.00   0.01  -0.04   7.32     7.29
1danC1 ARG   3 H      0.11   0.05   0.00  -0.55   8.46     8.06
1danC1 ARG   3 HA     0.06   0.30   0.78  -0.75   4.34     4.73
1danC1 ARG   3 HB2    0.03  -0.02   0.07  -0.04   1.90     1.95
1danC1 ARG   3 HB3    0.02   0.01   0.05  -0.04   1.80     1.85
1danC1 ARG   3 HG2    0.01   0.07  -0.13  -0.04   1.67     1.58
1danC1 ARG   3 HG3    0.00  -0.02  -0.20  -0.04   1.67     1.41
1danC1 ARG   3 HD2   -0.00  -0.02  -0.01  -0.04   3.22     3.15
1danC1 ARG   3 HD3    0.00  -0.01  -0.01  -0.04   3.22     3.16