=============================================================================
          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  3     0.840     3.069   8.984 -11.974  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1g1gB1 ASP 1161 H     -0.12   0.08   0.10  -0.55   8.40     7.91
1g1gB1 ASP 1161 HA    -0.06   0.17   0.65  -0.75   4.63     4.63
1g1gB1 ASP 1161 HB2   -0.04  -0.06   0.08  -0.04   2.71     2.66
1g1gB1 ASP 1161 HB3   -0.05   0.03   0.02  -0.04   2.70     2.66
1g1gB1 TYR 1162 H      0.12   0.21   0.10  -0.55   8.29     8.17
1g1gB1 TYR 1162 HA     0.00   0.20   0.73  -0.75   4.56     4.74
1g1gB1 TYR 1162 HB2    0.00   0.01   0.00  -0.04   3.06     3.04
1g1gB1 TYR 1162 HB3    0.00   0.09  -0.02  -0.04   2.98     3.01
1g1gB1 TYR 1162 HD2    0.00  -0.02  -0.03  -0.04   7.15     7.06
1g1gB1 TYR 1162 HE2    0.00  -0.01  -0.04  -0.04   6.85     6.76
1g1gB1 ARG 1164 HA     0.03   0.02   0.12  -0.75   4.34     3.76
1g1gB1 ARG 1164 HB2    0.03   0.00   0.06  -0.04   1.90     1.94
1g1gB1 ARG 1164 HB3    0.03  -0.00   0.04  -0.04   1.80     1.83