=============================================================================
          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
=============================================================================
2b2uD1 ALA   1 HA     0.00  -0.01   0.05  -0.75   4.34     3.62
2b2uD1 ALA   1 HB3    0.00  -0.01   0.04  -0.04   1.41     1.40
2b2uD1 THR   3 HA     0.00  -0.00   0.10  -0.75   4.39     3.73
2b2uD1 THR   3 HB     0.00   0.01   0.05  -0.04   4.32     4.34
2b2uD1 THR   3 HG23   0.00  -0.01   0.02  -0.04   1.22     1.18
2b2uD1 GLN   5 HA     0.00   0.02  -0.47  -0.75   4.36     3.16
2b2uD1 GLN   5 HB2    0.00  -0.04   0.05  -0.04   2.15     2.12
2b2uD1 GLN   5 HB3    0.00  -0.03  -0.05  -0.04   2.02     1.89
2b2uD1 GLN   5 HG2    0.00   0.05  -0.20  -0.04   2.40     2.21
2b2uD1 GLN   5 HG3    0.00   0.08   0.16  -0.04   2.39     2.59
2b2uD1 GLN   5 HE21   0.00  -0.04  -0.01  -0.04   6.97     6.88
2b2uD1 GLN   5 HE22   0.00   0.07  -0.01  -0.04   7.69     7.72