=============================================================================
          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  1     0.840    68.113 105.195  71.935  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2q5yB1 TYR 866 HA     0.00  -0.08   0.16  -0.75   4.56     3.88
2q5yB1 TYR 866 HB2    0.00  -0.00   0.13  -0.04   3.06     3.15
2q5yB1 TYR 866 HB3    0.00  -0.02   0.08  -0.04   2.98     3.00
2q5yB1 TYR 866 HD2    0.00  -0.00   0.02  -0.04   7.15     7.13
2q5yB1 TYR 866 HE2    0.00  -0.00   0.01  -0.04   6.85     6.82
2q5yB1 GLY 867 H      0.00   0.14   0.00  -0.55   8.43     8.03
2q5yB1 GLY 867 HA2    0.04  -0.05   0.37  -0.51   4.01     3.85
2q5yB1 GLY 867 HA3    0.04   0.14   0.46  -0.51   4.01     4.14
2q5yB1 LEU 868 H      0.01   0.13   0.04  -0.55   8.37     8.01
2q5yB1 LEU 868 HA    -0.00   0.05   0.14  -0.75   4.35     3.78
2q5yB1 LEU 868 HB2    0.00   0.04   0.02  -0.04   1.64     1.66
2q5yB1 LEU 868 HB3    0.00   0.03   0.07  -0.04   1.64     1.70
2q5yB1 LEU 868 HG     0.01   0.00   0.06  -0.04   1.64     1.67
2q5yB1 LEU 868 HD13   0.00   0.01   0.02  -0.04   0.93     0.92
2q5yB1 LEU 868 HD23   0.01  -0.01   0.06  -0.04   0.89     0.90