=============================================================================
          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  6     0.900   -22.974  15.246  -4.050  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2wubB1 ALA 392 HA     0.00  -0.08   0.21  -0.75   4.34     3.72
2wubB1 ALA 392 HB3    0.01  -0.00   0.04  -0.04   1.41     1.41
2wubB1 CYS 393 H      0.00   0.18   0.15  -0.55   8.50     8.28
2wubB1 CYS 393 HA     0.01   0.21   0.76  -0.75   4.58     4.81
2wubB1 CYS 393 HB2    0.00  -0.13   0.14  -0.04   2.97     2.95
2wubB1 CYS 393 HB3    0.00   0.11  -0.01  -0.04   2.97     3.03
2wubB1 GLY 394 H      0.01   0.17   0.11  -0.55   8.43     8.17
2wubB1 GLY 394 HA2    0.01   0.02   0.31  -0.51   4.01     3.83
2wubB1 GLY 394 HA3    0.01   0.05   0.33  -0.51   4.01     3.89
2wubB1 ARG 395 H      0.01   0.03  -0.94  -0.55   8.46     7.00
2wubB1 ARG 395 HA     0.02   0.07   0.69  -0.75   4.34     4.37
2wubB1 ARG 395 HB2    0.01   0.05  -0.03  -0.04   1.90     1.89
2wubB1 ARG 395 HB3    0.02  -0.01   0.05  -0.04   1.80     1.82
2wubB1 ARG 395 HG2    0.02  -0.03  -0.05  -0.04   1.67     1.57
2wubB1 ARG 395 HG3    0.03   0.13  -0.20  -0.04   1.67     1.59
2wubB1 ARG 395 HD2    0.02  -0.02  -0.05  -0.04   3.22     3.13
2wubB1 ARG 395 HD3    0.01  -0.00  -0.00  -0.04   3.22     3.19
2wubB1 ARG 396 H      0.02   0.14   0.03  -0.55   8.46     8.11
2wubB1 ARG 396 HA     0.04   0.13   0.60  -0.75   4.34     4.36
2wubB1 ARG 396 HB2    0.05  -0.04   0.16  -0.04   1.90     2.03
2wubB1 ARG 396 HB3    0.03  -0.01   0.01  -0.04   1.80     1.78
2wubB1 ARG 396 HG2    0.02   0.06   0.08  -0.04   1.67     1.78
2wubB1 ARG 396 HG3    0.02   0.09   0.07  -0.04   1.67     1.81
2wubB1 ARG 396 HD2    0.01   0.04   0.04  -0.04   3.22     3.26
2wubB1 ARG 396 HD3    0.02  -0.00   0.07  -0.04   3.22     3.27
2wubB1 HIS 397 H      0.08   0.08   0.03  -0.55   8.41     8.06
2wubB1 HIS 397 HA     0.00   0.04   0.30  -0.75   4.63     4.22
2wubB1 HIS 397 HB2    0.00   0.08  -0.29  -0.04   3.26     3.01
2wubB1 HIS 397 HB3    0.00  -0.07  -0.03  -0.04   3.20     3.05
2wubB1 HIS 397 HD2    0.00  -0.04   0.01  -0.04   6.97     6.89
2wubB1 HIS 397 HE1    0.00  -0.04   0.01  -0.04   7.75     7.67