=============================================================================
          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  2     1.000    17.438  37.646  45.671  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3laeX1 ILE   1 HA    -0.08  -0.07   0.22  -0.75   4.18     3.50
3laeX1 ILE   1 HB    -0.07  -0.01   0.02  -0.04   1.89     1.79
3laeX1 ILE   1 HG12   0.00  -0.01  -0.07  -0.04   1.49     1.37
3laeX1 ILE   1 HG13   0.04  -0.01  -0.24  -0.04   1.21     0.95
3laeX1 ILE   1 HG23   0.01  -0.00   0.03  -0.04   0.93     0.92
3laeX1 ILE   1 HD13  -0.04  -0.00  -0.24  -0.04   0.88     0.55
3laeX1 PHE   2 H     -0.55   0.27   0.14  -0.55   8.34     7.65
3laeX1 PHE   2 HA     0.00   0.11   0.72  -0.75   4.62     4.69
3laeX1 PHE   2 HB2    0.00  -0.07  -0.01  -0.04   3.15     3.03
3laeX1 PHE   2 HB3    0.00   0.12  -0.07  -0.04   3.06     3.07
3laeX1 PHE   2 HD2    0.00   0.04  -0.24  -0.04   7.28     7.03
3laeX1 PHE   2 HE2    0.00   0.02  -0.02  -0.04   7.38     7.33
3laeX1 PHE   2 HZ     0.00  -0.00  -0.01  -0.04   7.32     7.27
3laeX1 GLY   3 H      0.10   0.16   0.04  -0.55   8.43     8.19
3laeX1 GLY   3 HA2   -0.03   0.16   0.35  -0.51   4.01     3.97
3laeX1 GLY   3 HA3    0.02   0.05   0.18  -0.51   4.01     3.76