=============================================================================
          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    79.481  16.697 131.357  -99.200  -91.000
       HIS  4     0.900    74.496  23.990 129.225  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1x27K1 ASP 763 HA     0.00  -0.06   0.16  -0.75   4.63     3.98
1x27K1 ASP 763 HB2   -0.09   0.00  -0.05  -0.04   2.71     2.53
1x27K1 ASP 763 HB3   -0.03  -0.04   0.10  -0.04   2.70     2.69
1x27K1 TYR 764 H      0.08   0.12   0.10  -0.55   8.29     8.05
1x27K1 TYR 764 HA    -0.01   0.20   0.84  -0.75   4.56     4.83
1x27K1 TYR 764 HB2    0.06  -0.02   0.00  -0.04   3.06     3.06
1x27K1 TYR 764 HB3    0.05  -0.03   0.15  -0.04   2.98     3.10
1x27K1 TYR 764 HD2    0.02  -0.07  -0.06  -0.04   7.15     6.99
1x27K1 TYR 764 HE2    0.01  -0.03  -0.02  -0.04   6.85     6.77
1x27K1 VAL 765 H      0.22   0.11   0.15  -0.55   8.24     8.17
1x27K1 VAL 765 HA    -0.02   0.12   0.59  -0.75   4.13     4.07
1x27K1 VAL 765 HB     0.05   0.04   0.09  -0.04   2.12     2.26
1x27K1 VAL 765 HG13   0.11   0.00  -0.02  -0.04   0.97     1.02
1x27K1 VAL 765 HG23   0.05  -0.02   0.01  -0.04   0.95     0.95
1x27K1 HIS 766 H      0.08   0.15   0.07  -0.55   8.41     8.16
1x27K1 HIS 766 HA     0.03   0.24   0.67  -0.75   4.63     4.81
1x27K1 HIS 766 HB2    0.02  -0.00   0.07  -0.04   3.26     3.31
1x27K1 HIS 766 HB3    0.02   0.01   0.06  -0.04   3.20     3.24
1x27K1 HIS 766 HD2    0.02  -0.02  -0.02  -0.04   6.97     6.91
1x27K1 HIS 766 HE1    0.05  -0.03  -0.09  -0.04   7.75     7.64