=============================================================================
          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  3     0.900   -24.777  25.708   3.513  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3dm1B1 LYS 159 HA    -0.01  -0.06   0.16  -0.75   4.32     3.66
3dm1B1 LYS 159 HB2   -0.09  -0.06   0.07  -0.04   1.87     1.75
3dm1B1 LYS 159 HB3   -0.05  -0.02   0.03  -0.04   1.79     1.70
3dm1B1 LYS 159 HG2   -0.18  -0.04  -0.10  -0.04   1.46     1.10
3dm1B1 LYS 159 HG3   -0.51  -0.01  -0.65  -0.04   1.46     0.25
3dm1B1 LYS 159 HD2   -0.21   0.05  -0.02  -0.04   1.69     1.47
3dm1B1 LYS 159 HD3   -0.16  -0.05  -0.03  -0.04   1.68     1.40
3dm1B1 LYS 159 HE2   -0.55  -0.05  -0.08  -0.04   2.99     2.27
3dm1B1 LYS 159 HE3   -0.86   0.07  -0.18  -0.04   2.99     1.97
3dm1B1 VAL 160 H     -0.06   0.08   0.09  -0.55   8.24     7.80
3dm1B1 VAL 160 HA     0.03   0.09   0.65  -0.75   4.13     4.15
3dm1B1 VAL 160 HB    -0.03  -0.04   0.14  -0.04   2.12     2.15
3dm1B1 VAL 160 HG13  -0.00   0.00  -0.12  -0.04   0.97     0.81
3dm1B1 VAL 160 HG23   0.00  -0.00   0.00  -0.04   0.95     0.91
3dm1B1 HIS 161 H      0.17   0.18   0.21  -0.55   8.41     8.42
3dm1B1 HIS 161 HA     0.00   0.17   0.98  -0.75   4.63     5.03
3dm1B1 HIS 161 HB2    0.00  -0.02   0.05  -0.04   3.26     3.25
3dm1B1 HIS 161 HB3    0.00   0.04  -0.03  -0.04   3.20     3.17
3dm1B1 HIS 161 HD2    0.00   0.23  -0.06  -0.04   6.97     7.10
3dm1B1 HIS 161 HE1    0.00  -0.04  -0.04  -0.04   7.75     7.63
3dm1B1 ARG 162 H      0.08   0.27   0.23  -0.55   8.46     8.48
3dm1B1 ARG 162 HA     0.04   0.16   0.78  -0.75   4.34     4.56
3dm1B1 ARG 162 HB2    0.01  -0.01   0.02  -0.04   1.90     1.88
3dm1B1 ARG 162 HB3    0.02   0.02  -0.02  -0.04   1.80     1.77
3dm1B1 ARG 162 HG2    0.01   0.04  -0.02  -0.04   1.67     1.66
3dm1B1 ARG 162 HG3    0.01   0.00  -0.37  -0.04   1.67     1.27
3dm1B1 ARG 162 HD2   -0.00  -0.01  -0.06  -0.04   3.22     3.11
3dm1B1 ARG 162 HD3    0.00  -0.00  -0.04  -0.04   3.22     3.14
3dm1B1 ALA 163 H      0.02   0.33   0.21  -0.55   8.40     8.42
3dm1B1 ALA 163 HA     0.02   0.09   0.69  -0.75   4.34     4.39
3dm1B1 ALA 163 HB3    0.02   0.04  -0.04  -0.04   1.41     1.38
3dm1B1 ARG 164 H      0.01   0.12   0.07  -0.55   8.46     8.11
3dm1B1 ARG 164 HA     0.01   0.14   0.51  -0.75   4.34     4.24
3dm1B1 THR 166 HA     0.00  -0.02  -0.00  -0.75   4.39     3.62
3dm1B1 THR 166 HB     0.00  -0.01   0.02  -0.04   4.32     4.30
3dm1B1 THR 166 HG23   0.00   0.01  -0.02  -0.04   1.22     1.16