=============================================================================
          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.
       HIS  1     0.900    -0.389  16.737  31.150  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2h2gB1 HIS 113 HA     0.00  -0.01   0.14  -0.75   4.63     4.01
2h2gB1 HIS 113 HB2    0.00  -0.02  -0.06  -0.04   3.26     3.14
2h2gB1 HIS 113 HB3    0.00  -0.01   0.09  -0.04   3.20     3.24
2h2gB1 HIS 113 HD2    0.00  -0.00   0.02  -0.04   6.97     6.94
2h2gB1 HIS 113 HE1    0.00  -0.01   0.01  -0.04   7.75     7.71
2h2gB1 ALA 114 H      0.08   0.20   0.03  -0.55   8.40     8.16
2h2gB1 ALA 114 HA     0.04   0.12   0.43  -0.75   4.34     4.17
2h2gB1 ALA 114 HB3    0.03  -0.01   0.07  -0.04   1.41     1.47
2h2gB1 ARG 116 HA     0.00  -0.11   0.20  -0.75   4.34     3.68
2h2gB1 ARG 116 HB2    0.00  -0.03  -0.04  -0.04   1.90     1.79
2h2gB1 ARG 116 HB3    0.01  -0.05  -0.44  -0.04   1.80     1.28
2h2gB1 ARG 116 HG2    0.00   0.09   0.47  -0.04   1.67     2.19
2h2gB1 ARG 116 HG3    0.00  -0.04  -0.19  -0.04   1.67     1.40
2h2gB1 ARG 116 HD2    0.00  -0.04  -0.06  -0.04   3.22     3.08
2h2gB1 ARG 116 HD3    0.01  -0.00  -0.08  -0.04   3.22     3.11
2h2gB1 VAL 117 H      0.00   0.10   0.01  -0.55   8.24     7.80
2h2gB1 VAL 117 HA     0.00   0.29   0.76  -0.75   4.13     4.42
2h2gB1 VAL 117 HB     0.00  -0.02   0.08  -0.04   2.12     2.14
2h2gB1 VAL 117 HG13   0.00   0.00   0.04  -0.04   0.97     0.97
2h2gB1 VAL 117 HG23   0.00   0.01  -0.11  -0.04   0.95     0.81