=============================================================================
          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   -13.864  11.672  29.909  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2nphS1 ALA   1 HA    -0.04  -0.03   0.17  -0.75   4.34     3.68
2nphS1 ALA   1 HB3   -0.04  -0.01   0.09  -0.04   1.41     1.41
2nphS1 GLU   2 H     -0.14   0.19   0.06  -0.55   8.60     8.16
2nphS1 GLU   2 HA    -0.37   0.12   0.74  -0.75   4.29     4.02
2nphS1 GLU   2 HB2   -0.43  -0.03   0.06  -0.04   2.09     1.64
2nphS1 GLU   2 HB3   -1.72  -0.02  -0.03  -0.04   1.99     0.18
2nphS1 GLU   2 HG2   -0.15   0.01  -0.07  -0.04   2.34     2.09
2nphS1 GLU   2 HG3   -0.13   0.15  -1.08  -0.04   2.34     1.24
2nphS1 THR   3 H     -0.33   0.20   0.01  -0.55   8.28     7.62
2nphS1 THR   3 HA    -0.14   0.18   0.77  -0.75   4.39     4.45
2nphS1 THR   3 HB    -0.10  -0.01   0.21  -0.04   4.32     4.37
2nphS1 THR   3 HG23  -0.04   0.01   0.02  -0.04   1.22     1.17
2nphS1 PHE   4 H     -0.14   0.27  -0.22  -0.55   8.34     7.69
2nphS1 PHE   4 HA     0.00   0.16   0.34  -0.75   4.62     4.37
2nphS1 PHE   4 HB2    0.00   0.04   0.05  -0.04   3.15     3.19
2nphS1 PHE   4 HB3    0.00   0.02   0.04  -0.04   3.06     3.08
2nphS1 PHE   4 HD2    0.00   0.04  -0.06  -0.04   7.28     7.22
2nphS1 PHE   4 HE2    0.00   0.02  -0.04  -0.04   7.38     7.31
2nphS1 PHE   4 HZ     0.00   0.02  -0.04  -0.04   7.32     7.26