=============================================================================
          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   -16.369  -6.489  28.484  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3h6zM1 HIS  18 HA     0.00  -0.10   0.18  -0.75   4.63     3.96
3h6zM1 HIS  18 HB2    0.00  -0.02   0.02  -0.04   3.26     3.22
3h6zM1 HIS  18 HB3    0.00   0.04  -0.16  -0.04   3.20     3.04
3h6zM1 HIS  18 HD2    0.00  -0.00  -0.01  -0.04   6.97     6.92
3h6zM1 HIS  18 HE1    0.00   0.00   0.00  -0.04   7.75     7.71
3h6zM1 ARG  19 H      0.10   0.07   0.04  -0.55   8.46     8.13
3h6zM1 ARG  19 HA     0.03   0.20   0.26  -0.75   4.34     4.08
3h6zM1 ARG  19 HB2    0.03   0.05  -0.01  -0.04   1.90     1.93
3h6zM1 ARG  19 HB3    0.02  -0.02   0.09  -0.04   1.80     1.85
3h6zM1 ARG  19 HG2    0.01  -0.02   0.06  -0.04   1.67     1.67
3h6zM1 ARG  19 HG3    0.01   0.02   0.11  -0.04   1.67     1.77
3h6zM1 ARG  19 HD2    0.01   0.04   0.05  -0.04   3.22     3.28
3h6zM1 ARG  19 HD3    0.01  -0.02   0.02  -0.04   3.22     3.19
3h6zM1 VAL  21 HA    -0.27  -0.10   0.15  -0.75   4.13     3.16
3h6zM1 VAL  21 HB    -0.07   0.04   0.07  -0.04   2.12     2.11
3h6zM1 VAL  21 HG13  -0.05   0.04  -0.12  -0.04   0.97     0.80
3h6zM1 VAL  21 HG23  -0.07  -0.02   0.02  -0.04   0.95     0.84
3h6zM1 LEU  22 H     -0.13   0.04   0.08  -0.55   8.37     7.82
3h6zM1 LEU  22 HA    -0.06   0.03   0.44  -0.75   4.35     4.00
3h6zM1 LEU  22 HB2   -0.03  -0.01   0.12  -0.04   1.64     1.68
3h6zM1 LEU  22 HB3   -0.03  -0.02   0.13  -0.04   1.64     1.67
3h6zM1 LEU  22 HG    -0.01  -0.01  -0.22  -0.04   1.64     1.36
3h6zM1 LEU  22 HD13  -0.01  -0.03   0.05  -0.04   0.93     0.91
3h6zM1 LEU  22 HD23   0.00  -0.01  -0.01  -0.04   0.89     0.84
3h6zM1 ARG  23 H     -0.03   0.17   0.11  -0.55   8.46     8.16
3h6zM1 ARG  23 HA    -0.02   0.25   0.74  -0.75   4.34     4.56
3h6zM1 ARG  23 HB2   -0.02  -0.01   0.06  -0.04   1.90     1.89
3h6zM1 ARG  23 HB3   -0.02  -0.04   0.06  -0.04   1.80     1.77
3h6zM1 ARG  23 HG2   -0.02   0.01  -0.10  -0.04   1.67     1.51
3h6zM1 ARG  23 HG3   -0.04   0.31  -0.43  -0.04   1.67     1.48
3h6zM1 ARG  23 HD2   -0.03   0.06  -0.04  -0.04   3.22     3.17
3h6zM1 ARG  23 HD3   -0.02  -0.08  -0.01  -0.04   3.22     3.07