=============================================================================
          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
=============================================================================
3cqzM1 ASN   1 HA     0.00  -0.06   0.04  -0.75   4.76     3.98
3cqzM1 ASN   1 HB2    0.00   0.08   0.10  -0.04   2.88     3.02
3cqzM1 ASN   1 HB3    0.00  -0.04   0.04  -0.04   2.79     2.74
3cqzM1 ASN   1 HD21   0.00  -0.03   0.02  -0.04   7.03     6.97
3cqzM1 ASN   1 HD22   0.00   0.05   0.04  -0.04   7.74     7.79
3cqzM1 GLY   5 HA2    0.00  -0.13   0.35  -0.51   4.01     3.72
3cqzM1 GLY   5 HA3    0.00  -0.05   0.18  -0.51   4.01     3.63
3cqzM1 ILE   6 H      0.00   0.01   0.09  -0.55   8.25     7.81
3cqzM1 ILE   6 HA     0.00   0.01   0.47  -0.75   4.18     3.91
3cqzM1 ILE   6 HB     0.00  -0.02   0.15  -0.04   1.89     1.97
3cqzM1 ILE   6 HG12   0.00  -0.02   0.03  -0.04   1.49     1.46
3cqzM1 ILE   6 HG13   0.00   0.07  -0.00  -0.04   1.21     1.23
3cqzM1 ILE   6 HG23   0.00  -0.01  -0.07  -0.04   0.93     0.80
3cqzM1 ILE   6 HD13   0.00  -0.01   0.04  -0.04   0.88     0.87
3cqzM1 GLY   7 H      0.00   0.12   0.11  -0.55   8.43     8.11
3cqzM1 GLY   7 HA2    0.00  -0.00   0.16  -0.51   4.01     3.66
3cqzM1 GLY   7 HA3    0.00   0.07   0.32  -0.51   4.01     3.89