=============================================================================
          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.
       TYR  4     0.840    -1.182  -9.173 -27.692  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2qa9I1 ASP   1 HA    -0.06  -0.06   0.18  -0.75   4.63     3.94
2qa9I1 ASP   1 HB2   -0.06  -0.02  -0.02  -0.04   2.71     2.57
2qa9I1 ASP   1 HB3   -0.10  -0.01  -0.02  -0.04   2.70     2.53
2qa9I1 ALA   2 H     -0.20   0.21   0.12  -0.55   8.40     7.98
2qa9I1 ALA   2 HA    -0.09   0.13   0.80  -0.75   4.34     4.43
2qa9I1 ALA   2 HB3   -0.07   0.02  -0.04  -0.04   1.41     1.28
2qa9I1 ILE   3 H     -0.09   0.13   0.14  -0.55   8.25     7.88
2qa9I1 ILE   3 HA    -0.18   0.03   0.46  -0.75   4.18     3.73
2qa9I1 ILE   3 HB    -0.03  -0.03   0.04  -0.04   1.89     1.83
2qa9I1 ILE   3 HG12  -0.02   0.02   0.09  -0.04   1.49     1.53
2qa9I1 ILE   3 HG13  -0.00   0.01  -0.07  -0.04   1.21     1.11
2qa9I1 ILE   3 HG23  -0.04   0.01   0.03  -0.04   0.93     0.89
2qa9I1 ILE   3 HD13   0.00   0.00  -0.03  -0.04   0.88     0.81
2qa9I1 TYR   4 H     -0.05   0.13   0.10  -0.55   8.29     7.93
2qa9I1 TYR   4 HA     0.00   0.21   0.56  -0.75   4.56     4.58
2qa9I1 TYR   4 HB2    0.00  -0.01   0.11  -0.04   3.06     3.12
2qa9I1 TYR   4 HB3    0.00   0.01   0.07  -0.04   2.98     3.02
2qa9I1 TYR   4 HD2    0.00   0.03  -0.03  -0.04   7.15     7.11
2qa9I1 TYR   4 HE2    0.00  -0.02  -0.03  -0.04   6.85     6.76