=============================================================================
          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
=============================================================================
2j31B1 ASP   2 HA     0.00  -0.09   0.23  -0.75   4.63     4.02
2j31B1 ASP   2 HB2    0.00  -0.03   0.04  -0.04   2.71     2.68
2j31B1 ASP   2 HB3    0.00   0.00  -0.06  -0.04   2.70     2.60
2j31B1 GLU   3 H      0.00   0.21   0.16  -0.55   8.60     8.42
2j31B1 GLU   3 HA     0.00   0.14   0.73  -0.75   4.29     4.41
2j31B1 GLU   3 HB2    0.00  -0.03  -0.02  -0.04   2.09     2.01
2j31B1 GLU   3 HB3    0.00   0.01   0.07  -0.04   1.99     2.04
2j31B1 GLU   3 HG2    0.00   0.11  -0.14  -0.04   2.34     2.27
2j31B1 GLU   3 HG3    0.00  -0.02  -0.36  -0.04   2.34     1.92
2j31B1 VAL   4 H      0.00   0.15   0.04  -0.55   8.24     7.88
2j31B1 VAL   4 HA     0.00   0.24   0.69  -0.75   4.13     4.31
2j31B1 VAL   4 HB     0.00   0.02   0.06  -0.04   2.12     2.17
2j31B1 VAL   4 HG13   0.00   0.01  -0.09  -0.04   0.97     0.86
2j31B1 VAL   4 HG23   0.00   0.01   0.06  -0.04   0.95     0.97