=============================================================================
          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  5     1.000     3.535  -4.913  -6.017  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2x4pC1 ILE   2 HA    -0.02  -0.08   0.15  -0.75   4.18     3.48
2x4pC1 ILE   2 HB    -0.03  -0.12   0.12  -0.04   1.89     1.82
2x4pC1 ILE   2 HG12  -0.01  -0.07  -0.04  -0.04   1.49     1.33
2x4pC1 ILE   2 HG13  -0.02   0.25  -0.30  -0.04   1.21     1.11
2x4pC1 ILE   2 HG23  -0.02  -0.02   0.04  -0.04   0.93     0.89
2x4pC1 ILE   2 HD13  -0.02  -0.02  -0.01  -0.04   0.88     0.80
2x4pC1 LEU   3 H     -0.03   0.03   0.08  -0.55   8.37     7.90
2x4pC1 LEU   3 HA    -0.00   0.01   0.39  -0.75   4.35     4.00
2x4pC1 LEU   3 HB2   -0.04  -0.06   0.11  -0.04   1.64     1.61
2x4pC1 LEU   3 HB3   -0.05   0.06  -0.02  -0.04   1.64     1.58
2x4pC1 LEU   3 HG     0.04   0.04  -0.05  -0.04   1.64     1.62
2x4pC1 LEU   3 HD13   0.03  -0.02   0.03  -0.04   0.93     0.93
2x4pC1 LEU   3 HD23  -0.06   0.00  -0.03  -0.04   0.89     0.76
2x4pC1 GLY   4 H      0.02   0.05   0.11  -0.55   8.43     8.06
2x4pC1 GLY   4 HA2    0.01   0.10   0.31  -0.51   4.01     3.92
2x4pC1 GLY   4 HA3    0.02   0.02   0.31  -0.51   4.01     3.85
2x4pC1 VAL   6 HA     0.09   0.01   0.38  -0.75   4.13     3.85
2x4pC1 VAL   6 HB     0.04  -0.01   0.06  -0.04   2.12     2.17
2x4pC1 VAL   6 HG13   0.04   0.01  -0.07  -0.04   0.97     0.91
2x4pC1 VAL   6 HG23   0.05  -0.11   0.10  -0.04   0.95     0.95
2x4pC1 PHE   7 H      0.13   0.05   0.05  -0.55   8.34     8.02
2x4pC1 PHE   7 HA     0.00   0.10   0.20  -0.75   4.62     4.16
2x4pC1 PHE   7 HB2    0.00   0.02  -0.46  -0.04   3.15     2.66
2x4pC1 PHE   7 HB3    0.00   0.02   0.09  -0.04   3.06     3.13
2x4pC1 PHE   7 HD2    0.00   0.32   0.12  -0.04   7.28     7.68
2x4pC1 PHE   7 HE2    0.00  -0.04  -0.02  -0.04   7.38     7.28
2x4pC1 PHE   7 HZ     0.00  -0.05  -0.02  -0.04   7.32     7.21
2x4pC1 VAL   9 HA     0.03   0.01   0.08  -0.75   4.13     3.49
2x4pC1 VAL   9 HB     0.04  -0.00   0.02  -0.04   2.12     2.14
2x4pC1 VAL   9 HG13   0.09   0.00   0.02  -0.04   0.97     1.04
2x4pC1 VAL   9 HG23   0.03  -0.00   0.02  -0.04   0.95     0.96