=============================================================================
          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    68.547 132.183  73.077  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2q5yD1 TYR 866 HA     0.00  -0.06   0.15  -0.75   4.56     3.90
2q5yD1 TYR 866 HB2    0.00  -0.01   0.13  -0.04   3.06     3.14
2q5yD1 TYR 866 HB3    0.00  -0.02   0.09  -0.04   2.98     3.01
2q5yD1 TYR 866 HD2    0.00  -0.00   0.01  -0.04   7.15     7.12
2q5yD1 TYR 866 HE2    0.00  -0.00   0.01  -0.04   6.85     6.81
2q5yD1 GLY 867 H     -0.00   0.21   0.14  -0.55   8.43     8.24
2q5yD1 GLY 867 HA2    0.03  -0.03   0.27  -0.51   4.01     3.76
2q5yD1 GLY 867 HA3    0.05   0.19   0.85  -0.51   4.01     4.58
2q5yD1 LEU 868 H      0.02   0.37   0.05  -0.55   8.37     8.26
2q5yD1 LEU 868 HA     0.00   0.18   0.36  -0.75   4.35     4.13
2q5yD1 LEU 868 HB2   -0.00   0.03  -0.34  -0.04   1.64     1.28
2q5yD1 LEU 868 HB3    0.00  -0.01   0.02  -0.04   1.64     1.61
2q5yD1 LEU 868 HG    -0.01   0.06   0.07  -0.04   1.64     1.72
2q5yD1 LEU 868 HD13  -0.00  -0.01  -0.01  -0.04   0.93     0.87
2q5yD1 LEU 868 HD23  -0.00  -0.00   0.04  -0.04   0.89     0.88