=============================================================================
          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
=============================================================================
1mcfP1 GLN   1 HA     0.00   0.00   0.00  -0.75   4.36     3.61
1mcfP1 GLN   1 HB2    0.00   0.00   0.00  -0.04   2.15     2.11
1mcfP1 GLN   1 HB3    0.00   0.00   0.00  -0.04   2.02     1.98
1mcfP1 GLN   1 HG2    0.00   0.00   0.00  -0.04   2.40     2.36
1mcfP1 GLN   1 HG3    0.00   0.00   0.00  -0.04   2.39     2.35
1mcfP1 GLN   1 HE21   0.00   0.00   0.00  -0.04   6.97     6.93
1mcfP1 GLN   1 HE22   0.00   0.00   0.00  -0.04   7.69     7.65