=============================================================================
          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  3     1.000    21.898  37.966   1.037  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3bs4B1 ASN   1 HA     0.02  -0.04   0.15  -0.75   4.76     4.14
3bs4B1 ASN   1 HB2   -0.01  -0.02  -0.04  -0.04   2.88     2.78
3bs4B1 ASN   1 HB3    0.01  -0.02   0.02  -0.04   2.79     2.75
3bs4B1 ASN   1 HD21  -0.00  -0.00   0.01  -0.04   7.03     7.00
3bs4B1 ASN   1 HD22  -0.00  -0.00  -0.00  -0.04   7.74     7.69
3bs4B1 ILE   2 H     -0.07   0.33   0.10  -0.55   8.25     8.07
3bs4B1 ILE   2 HA     0.06   0.07   0.79  -0.75   4.18     4.35
3bs4B1 ILE   2 HB    -0.02   0.01   0.05  -0.04   1.89     1.88
3bs4B1 ILE   2 HG12   0.03   0.06   0.05  -0.04   1.49     1.59
3bs4B1 ILE   2 HG13   0.01  -0.00  -0.38  -0.04   1.21     0.79
3bs4B1 ILE   2 HG23   0.01  -0.02  -0.11  -0.04   0.93     0.77
3bs4B1 ILE   2 HD13   0.01  -0.01  -0.03  -0.04   0.88     0.81
3bs4B1 PHE   3 H      0.23   0.15   0.02  -0.55   8.34     8.18
3bs4B1 PHE   3 HA     0.00   0.24   0.60  -0.75   4.62     4.71
3bs4B1 PHE   3 HB2    0.00   0.00   0.07  -0.04   3.15     3.19
3bs4B1 PHE   3 HB3    0.00   0.01   0.07  -0.04   3.06     3.10
3bs4B1 PHE   3 HD2    0.00  -0.01  -0.07  -0.04   7.28     7.15
3bs4B1 PHE   3 HE2    0.00  -0.00  -0.04  -0.04   7.38     7.30
3bs4B1 PHE   3 HZ     0.00  -0.01  -0.02  -0.04   7.32     7.25