=============================================================================
          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  3     0.840    75.282  45.077 129.895  -99.200  -91.000
       HIS  5     0.900    70.246  37.191 124.383  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1x27L1 ASP 761 HA    -0.01  -0.02   0.06  -0.75   4.63     3.90
1x27L1 ASP 761 HB2   -0.00  -0.02   0.02  -0.04   2.71     2.66
1x27L1 ASP 761 HB3    0.00  -0.00   0.01  -0.04   2.70     2.67
1x27L1 ASP 763 HA     0.07  -0.04   0.18  -0.75   4.63     4.08
1x27L1 ASP 763 HB2    0.04   0.00   0.09  -0.04   2.71     2.80
1x27L1 ASP 763 HB3    0.05  -0.03   0.15  -0.04   2.70     2.83
1x27L1 TYR 764 H      0.20   0.04   0.13  -0.55   8.29     8.11
1x27L1 TYR 764 HA     0.01  -0.01   0.36  -0.75   4.56     4.16
1x27L1 TYR 764 HB2    0.01  -0.03   0.16  -0.04   3.06     3.17
1x27L1 TYR 764 HB3    0.02   0.08  -0.01  -0.04   2.98     3.03
1x27L1 TYR 764 HD2    0.01   0.04   0.01  -0.04   7.15     7.18
1x27L1 TYR 764 HE2    0.00  -0.01   0.01  -0.04   6.85     6.81
1x27L1 VAL 765 H     -0.58   0.02   0.16  -0.55   8.24     7.29
1x27L1 VAL 765 HA    -0.13   0.06   0.39  -0.75   4.13     3.70
1x27L1 VAL 765 HB    -0.28  -0.00   0.14  -0.04   2.12     1.93
1x27L1 VAL 765 HG13  -0.50  -0.02  -0.01  -0.04   0.97     0.40
1x27L1 VAL 765 HG23  -0.19   0.02  -0.01  -0.04   0.95     0.73
1x27L1 HIS 766 H     -0.29   0.18   0.08  -0.55   8.41     7.84
1x27L1 HIS 766 HA    -0.01   0.22   0.63  -0.75   4.63     4.71
1x27L1 HIS 766 HB2    0.00  -0.00   0.05  -0.04   3.26     3.27
1x27L1 HIS 766 HB3    0.00   0.15  -0.16  -0.04   3.20     3.14
1x27L1 HIS 766 HD2   -0.00   0.07  -0.01  -0.04   6.97     6.98
1x27L1 HIS 766 HE1   -0.01  -0.01   0.02  -0.04   7.75     7.70