=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 0 rings

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1p8jR1 ARG 802 HA     0.00  -0.08   0.22  -0.75   4.34     3.72
1p8jR1 ARG 802 HB2    0.00  -0.03   0.02  -0.04   1.90     1.85
1p8jR1 ARG 802 HB3    0.00   0.01  -0.07  -0.04   1.80     1.70
1p8jR1 ARG 802 HG2    0.00  -0.01   0.03  -0.04   1.67     1.66
1p8jR1 ARG 802 HG3    0.00  -0.01   0.00  -0.04   1.67     1.63
1p8jR1 ARG 802 HD2    0.00   0.01   0.01  -0.04   3.22     3.20
1p8jR1 ARG 802 HD3    0.00  -0.01   0.05  -0.04   3.22     3.22
1p8jR1 VAL 803 H      0.00   0.14   0.12  -0.55   8.24     7.95
1p8jR1 VAL 803 HA     0.00   0.18   0.97  -0.75   4.13     4.53
1p8jR1 VAL 803 HB     0.00  -0.03   0.06  -0.04   2.12     2.11
1p8jR1 VAL 803 HG13   0.00   0.07  -0.06  -0.04   0.97     0.93
1p8jR1 VAL 803 HG23   0.00   0.01  -0.14  -0.04   0.95     0.77
1p8jR1 LYS 804 H      0.00   0.13   0.05  -0.55   8.42     8.05
1p8jR1 LYS 804 HA     0.00   0.14   0.29  -0.75   4.32     3.99
1p8jR1 LYS 804 HB2    0.00   0.00   0.09  -0.04   1.87     1.92
1p8jR1 LYS 804 HB3    0.00   0.02   0.06  -0.04   1.79     1.83
1p8jR1 LYS 804 HG2    0.00   0.03  -0.02  -0.04   1.46     1.42
1p8jR1 LYS 804 HG3    0.00   0.01   0.02  -0.04   1.46     1.45
1p8jR1 LYS 804 HD2    0.00  -0.01   0.03  -0.04   1.69     1.67
1p8jR1 LYS 804 HD3    0.00  -0.00   0.02  -0.04   1.68     1.65
1p8jR1 LYS 804 HE2    0.00   0.00  -0.01  -0.04   2.99     2.95
1p8jR1 LYS 804 HE3    0.00   0.03   0.01  -0.04   2.99     2.99