=============================================================================
          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    18.286 -15.582 -15.072  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3d9tC1 ALA   1 HA     0.03  -0.07   0.17  -0.75   4.34     3.72
3d9tC1 ALA   1 HB3    0.03  -0.02  -0.00  -0.04   1.41     1.38
3d9tC1 THR   2 H      0.06   0.15   0.11  -0.55   8.28     8.05
3d9tC1 THR   2 HA     0.03   0.24   0.99  -0.75   4.39     4.90
3d9tC1 THR   2 HB     0.04   0.05   0.07  -0.04   4.32     4.44
3d9tC1 THR   2 HG23   0.02  -0.01  -0.17  -0.04   1.22     1.02
3d9tC1 PRO   3 HA     0.01   0.08   0.51  -0.51   4.44     4.52
3d9tC1 PRO   3 HB2   -0.01   0.06  -0.01  -0.04   2.28     2.28
3d9tC1 PRO   3 HB3   -0.02   0.00   0.05  -0.04   2.02     2.01
3d9tC1 PRO   3 HG2    0.03   0.02   0.06  -0.04   2.03     2.09
3d9tC1 PRO   3 HG3    0.01   0.01   0.06  -0.04   2.03     2.07
3d9tC1 PRO   3 HD2    0.03   0.07   0.23  -0.04   3.68     3.98
3d9tC1 PRO   3 HD3    0.02   0.19   0.16  -0.04   3.65     3.98
3d9tC1 PHE   4 H     -0.22   0.25   0.08  -0.55   8.34     7.90
3d9tC1 PHE   4 HA     0.00   0.04   0.11  -0.75   4.62     4.01
3d9tC1 PHE   4 HB2    0.00  -0.01   0.09  -0.04   3.15     3.19
3d9tC1 PHE   4 HB3    0.00   0.04  -0.04  -0.04   3.06     3.01
3d9tC1 PHE   4 HD2    0.00   0.08  -0.05  -0.04   7.28     7.27
3d9tC1 PHE   4 HE2    0.00  -0.03   0.01  -0.04   7.38     7.31
3d9tC1 PHE   4 HZ     0.00  -0.05   0.01  -0.04   7.32     7.24