=============================================================================
          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
=============================================================================
2ih0A8 ASP   1 HA     0.00   0.01   0.02  -0.75   4.63     3.90
2ih0A8 ASP   1 HB2    0.00   0.00   0.03  -0.04   2.71     2.70
2ih0A8 ASP   1 HB3    0.00   0.00   0.04  -0.04   2.70     2.70
2ih0A8 SER   4 H      0.00   0.12   0.09  -0.55   8.46     8.12
2ih0A8 SER   4 HA     0.00  -0.10   0.33  -0.75   4.49     3.97
2ih0A8 SER   4 HB2    0.00   0.06   0.28  -0.04   3.95     4.25
2ih0A8 SER   4 HB3    0.00  -0.09   0.04  -0.04   3.93     3.84
2ih0A8 GLN   5 H      0.00   0.84  -0.09  -0.55   8.47     8.67
2ih0A8 GLN   5 HA     0.00   0.12   0.19  -0.75   4.36     3.92
2ih0A8 GLN   5 HB2    0.00   0.00  -0.04  -0.04   2.15     2.07
2ih0A8 GLN   5 HB3    0.00  -0.04   0.07  -0.04   2.02     2.01
2ih0A8 GLN   5 HG2    0.00   0.05  -0.25  -0.04   2.40     2.16
2ih0A8 GLN   5 HG3    0.00  -0.03  -0.03  -0.04   2.39     2.29
2ih0A8 GLN   5 HE21   0.00   0.71   0.43  -0.04   6.97     8.07
2ih0A8 GLN   5 HE22   0.00  -0.09   0.08  -0.04   7.69     7.64
2ih0A8 THR   7 H      0.00   0.10   0.00  -0.55   8.28     7.83
2ih0A8 THR   7 HA     0.00  -0.01   0.14  -0.75   4.39     3.76
2ih0A8 THR   7 HB     0.00  -0.01   0.02  -0.04   4.32     4.29
2ih0A8 THR   7 HG23   0.00  -0.01   0.04  -0.04   1.22     1.21