=============================================================================
          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    16.698  57.085  30.016  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2ciaL1 HIS 472 HA     0.00  -0.09   0.22  -0.75   4.63     4.00
2ciaL1 HIS 472 HB2    0.00  -0.02   0.05  -0.04   3.26     3.25
2ciaL1 HIS 472 HB3    0.00   0.04  -0.13  -0.04   3.20     3.07
2ciaL1 HIS 472 HD2    0.00  -0.02   0.04  -0.04   6.97     6.95
2ciaL1 HIS 472 HE1    0.00  -0.00   0.00  -0.04   7.75     7.70
2ciaL1 ILE 473 H      0.07   0.13   0.03  -0.55   8.25     7.93
2ciaL1 ILE 473 HA     0.04   0.00   0.59  -0.75   4.18     4.06
2ciaL1 ILE 473 HB     0.02   0.00   0.08  -0.04   1.89     1.95
2ciaL1 ILE 473 HG12   0.04  -0.03  -0.04  -0.04   1.49     1.42
2ciaL1 ILE 473 HG13   0.02  -0.02  -0.02  -0.04   1.21     1.15
2ciaL1 ILE 473 HG23   0.01   0.01   0.02  -0.04   0.93     0.93
2ciaL1 ILE 473 HD13   0.03   0.04  -0.19  -0.04   0.88     0.71
2ciaL1 ASP 475 HA    -0.00  -0.09   0.20  -0.75   4.63     3.98
2ciaL1 ASP 475 HB2   -0.01  -0.02  -0.00  -0.04   2.71     2.64
2ciaL1 ASP 475 HB3   -0.00   0.02  -0.03  -0.04   2.70     2.65
2ciaL1 GLU 476 H     -0.00   0.07   0.07  -0.55   8.60     8.20
2ciaL1 GLU 476 HA     0.00   0.07   0.58  -0.75   4.29     4.19
2ciaL1 GLU 476 HB2    0.00  -0.02   0.10  -0.04   2.09     2.13
2ciaL1 GLU 476 HB3    0.00  -0.03   0.14  -0.04   1.99     2.06
2ciaL1 GLU 476 HG2    0.00   0.23  -0.18  -0.04   2.34     2.35
2ciaL1 GLU 476 HG3    0.00  -0.02   0.04  -0.04   2.34     2.32
2ciaL1 VAL 477 H      0.00   0.11   0.18  -0.55   8.24     7.98
2ciaL1 VAL 477 HA    -0.00   0.00   0.59  -0.75   4.13     3.96
2ciaL1 VAL 477 HB     0.00   0.00   0.01  -0.04   2.12     2.08
2ciaL1 VAL 477 HG13   0.00   0.01   0.05  -0.04   0.97     0.99
2ciaL1 VAL 477 HG23   0.00  -0.02   0.00  -0.04   0.95     0.89
2ciaL1 ALA 478 H     -0.00   0.09   0.15  -0.55   8.40     8.09
2ciaL1 ALA 478 HA    -0.00   0.02   0.43  -0.75   4.34     4.04
2ciaL1 ALA 478 HB3   -0.00   0.01   0.07  -0.04   1.41     1.45
2ciaL1 ALA 479 H      0.00   0.01   0.07  -0.55   8.40     7.94
2ciaL1 ALA 479 HA     0.00   0.05   0.44  -0.75   4.34     4.08
2ciaL1 ALA 479 HB3    0.00  -0.04   0.07  -0.04   1.41     1.39