=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 2 rings
        ring        int.           center             anis.    iso.
       TYR  2     0.840    31.003  32.240 139.135  -99.200  -91.000
       HIS  4     0.900    34.547  30.149 146.578  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1x27M1 ASP 763 HA     0.13  -0.09   0.21  -0.75   4.63     4.12
1x27M1 ASP 763 HB2    0.08  -0.03   0.02  -0.04   2.71     2.74
1x27M1 ASP 763 HB3    0.42   0.02  -0.06  -0.04   2.70     3.05
1x27M1 TYR 764 H     -0.06   0.07   0.06  -0.55   8.29     7.81
1x27M1 TYR 764 HA    -0.14   0.21   0.85  -0.75   4.56     4.72
1x27M1 TYR 764 HB2   -0.09  -0.02   0.04  -0.04   3.06     2.95
1x27M1 TYR 764 HB3   -0.14   0.05  -0.10  -0.04   2.98     2.75
1x27M1 TYR 764 HD2   -0.06   0.05  -0.03  -0.04   7.15     7.08
1x27M1 TYR 764 HE2   -0.03   0.00   0.01  -0.04   6.85     6.79
1x27M1 VAL 765 H     -0.39   0.11   0.10  -0.55   8.24     7.52
1x27M1 VAL 765 HA    -0.13  -0.02   0.32  -0.75   4.13     3.54
1x27M1 VAL 765 HB    -0.12  -0.02   0.14  -0.04   2.12     2.09
1x27M1 VAL 765 HG13   0.15  -0.01   0.10  -0.04   0.97     1.18
1x27M1 VAL 765 HG23  -0.00   0.03  -0.07  -0.04   0.95     0.86
1x27M1 HIS 766 H     -0.09   0.02   0.15  -0.55   8.41     7.94
1x27M1 HIS 766 HA     0.04   0.13   0.37  -0.75   4.63     4.42
1x27M1 HIS 766 HB2    0.01  -0.03   0.10  -0.04   3.26     3.30
1x27M1 HIS 766 HB3    0.02  -0.02   0.08  -0.04   3.20     3.24
1x27M1 HIS 766 HD2    0.01  -0.05  -0.03  -0.04   6.97     6.86
1x27M1 HIS 766 HE1    0.04  -0.06   0.02  -0.04   7.75     7.71