=============================================================================
          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
=============================================================================
2w76C1 GLN   5 HA     0.00  -0.03   0.13  -0.75   4.36     3.70
2w76C1 GLN   5 HB2    0.00  -0.02   0.08  -0.04   2.15     2.17
2w76C1 GLN   5 HB3    0.00  -0.03   0.05  -0.04   2.02     2.00
2w76C1 GLN   5 HG2    0.00  -0.02   0.02  -0.04   2.40     2.35
2w76C1 GLN   5 HG3    0.00   0.00   0.38  -0.04   2.39     2.73
2w76C1 GLN   5 HE21   0.00  -0.03   0.00  -0.04   6.97     6.90
2w76C1 GLN   5 HE22   0.00   0.10   0.03  -0.04   7.69     7.78
2w76C1 GLN   6 H      0.00   0.16   0.03  -0.55   8.47     8.11
2w76C1 GLN   6 HA     0.00   0.10  -0.05  -0.75   4.36     3.65
2w76C1 GLN   6 HB2    0.00  -0.01   0.09  -0.04   2.15     2.19
2w76C1 GLN   6 HB3    0.00  -0.00   0.11  -0.04   2.02     2.09
2w76C1 GLN   6 HG2    0.00  -0.00   0.05  -0.04   2.40     2.41
2w76C1 GLN   6 HG3    0.00  -0.02   0.01  -0.04   2.39     2.35
2w76C1 GLN   6 HE21   0.00  -0.03  -0.01  -0.04   6.97     6.89
2w76C1 GLN   6 HE22   0.00   0.01  -0.04  -0.04   7.69     7.62
2w76C1 GLY   8 HA2    0.00  -0.05   0.11  -0.51   4.01     3.56
2w76C1 GLY   8 HA3    0.00  -0.00   0.26  -0.51   4.01     3.76