=============================================================================
          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
=============================================================================
2h65E1 VAL   2 HA     0.00  -0.07   0.17  -0.75   4.13     3.48
2h65E1 VAL   2 HB     0.00  -0.00   0.04  -0.04   2.12     2.12
2h65E1 VAL   2 HG13   0.00  -0.01   0.03  -0.04   0.97     0.95
2h65E1 VAL   2 HG23   0.00  -0.01  -0.19  -0.04   0.95     0.71
2h65E1 ASP   3 H      0.00   0.08   0.11  -0.55   8.40     8.04
2h65E1 ASP   3 HA     0.00   0.16   0.84  -0.75   4.63     4.88
2h65E1 ASP   3 HB2    0.00  -0.04   0.09  -0.04   2.71     2.72
2h65E1 ASP   3 HB3    0.00   0.03   0.02  -0.04   2.70     2.71
2h65E1 VAL   4 H      0.00   0.24   0.20  -0.55   8.24     8.13
2h65E1 VAL   4 HA     0.00   0.15   0.86  -0.75   4.13     4.39
2h65E1 VAL   4 HB     0.00   0.01   0.04  -0.04   2.12     2.14
2h65E1 VAL   4 HG13   0.00   0.01  -0.25  -0.04   0.97     0.69
2h65E1 VAL   4 HG23   0.00   0.01  -0.04  -0.04   0.95     0.87
2h65E1 ALA   5 H      0.00   0.12   0.04  -0.55   8.40     8.01
2h65E1 ALA   5 HA     0.00   0.20   0.49  -0.75   4.34     4.28
2h65E1 ALA   5 HB3    0.00   0.02   0.06  -0.04   1.41     1.45