=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 0 rings

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2cnkI1 ASP 902 HA     0.00  -0.09   0.22  -0.75   4.63     4.01
2cnkI1 ASP 902 HB2    0.00  -0.03   0.01  -0.04   2.71     2.64
2cnkI1 ASP 902 HB3    0.00   0.04  -0.05  -0.04   2.70     2.64
2cnkI1 GLU 903 H      0.00   0.17   0.16  -0.55   8.60     8.39
2cnkI1 GLU 903 HA     0.00   0.17   0.79  -0.75   4.29     4.50
2cnkI1 GLU 903 HB2    0.00  -0.03   0.00  -0.04   2.09     2.03
2cnkI1 GLU 903 HB3    0.00   0.00   0.09  -0.04   1.99     2.04
2cnkI1 GLU 903 HG2    0.00   0.12  -0.14  -0.04   2.34     2.28
2cnkI1 GLU 903 HG3    0.00  -0.03  -0.22  -0.04   2.34     2.04
2cnkI1 VAL 904 H      0.00   0.16   0.04  -0.55   8.24     7.89
2cnkI1 VAL 904 HA     0.00   0.29   0.80  -0.75   4.13     4.46
2cnkI1 VAL 904 HB     0.00   0.02   0.06  -0.04   2.12     2.16
2cnkI1 VAL 904 HG13   0.00   0.02  -0.12  -0.04   0.97     0.83
2cnkI1 VAL 904 HG23   0.00   0.00   0.06  -0.04   0.95     0.97