=============================================================================
          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
=============================================================================
2pq2B1 GLY   1 HA2    0.00  -0.08   0.14  -0.51   4.01     3.56
2pq2B1 GLY   1 HA3    0.00  -0.06   0.16  -0.51   4.01     3.61
2pq2B1 ALA   2 H      0.00   0.07  -0.12  -0.55   8.40     7.80
2pq2B1 ALA   2 HA     0.00   0.14   0.43  -0.75   4.34     4.15
2pq2B1 ALA   2 HB3    0.00   0.01  -0.01  -0.04   1.41     1.37
2pq2B1 LEU   3 H      0.00   0.06   0.14  -0.55   8.37     8.02
2pq2B1 LEU   3 HA     0.00   0.23   0.55  -0.75   4.35     4.38
2pq2B1 LEU   3 HB2    0.00   0.02   0.12  -0.04   1.64     1.74
2pq2B1 LEU   3 HB3    0.00  -0.08  -0.00  -0.04   1.64     1.51
2pq2B1 LEU   3 HG     0.00   0.05   0.06  -0.04   1.64     1.72
2pq2B1 LEU   3 HD13   0.00   0.00  -0.01  -0.04   0.93     0.88
2pq2B1 LEU   3 HD23   0.00   0.00  -0.14  -0.04   0.89     0.71
2pq2B1 ALA   4 H      0.00  -0.04   0.11  -0.55   8.40     7.93
2pq2B1 ALA   4 HA     0.00  -0.00   0.37  -0.75   4.34     3.96
2pq2B1 ALA   4 HB3    0.00   0.04   0.02  -0.04   1.41     1.42
2pq2B1 GLY   5 H      0.00   0.08  -0.01  -0.55   8.43     7.95
2pq2B1 GLY   5 HA2    0.00   0.03   0.15  -0.51   4.01     3.67
2pq2B1 GLY   5 HA3    0.00   0.10   0.20  -0.51   4.01     3.80