=============================================================================
          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
=============================================================================
1lgcJ1 ASN 512 HA     0.00  -0.04   0.19  -0.75   4.76     4.15
1lgcJ1 ASN 512 HB2    0.00  -0.02  -0.00  -0.04   2.88     2.82
1lgcJ1 ASN 512 HB3    0.00  -0.00   0.04  -0.04   2.79     2.79
1lgcJ1 ASN 512 HD21   0.00   0.00   0.02  -0.04   7.03     7.01
1lgcJ1 ASN 512 HD22   0.00   0.00   0.02  -0.04   7.74     7.73
1lgcJ1 GLN 513 H      0.00   0.06   0.00  -0.55   8.47     7.98
1lgcJ1 GLN 513 HA     0.00   0.10   0.25  -0.75   4.36     3.96
1lgcJ1 GLN 513 HB2    0.00  -0.01   0.10  -0.04   2.15     2.20
1lgcJ1 GLN 513 HB3    0.00   0.01   0.07  -0.04   2.02     2.06
1lgcJ1 GLN 513 HG2    0.00  -0.01   0.02  -0.04   2.40     2.37
1lgcJ1 GLN 513 HG3    0.00   0.01   0.03  -0.04   2.39     2.40
1lgcJ1 GLN 513 HE21   0.00  -0.00  -0.02  -0.04   6.97     6.90
1lgcJ1 GLN 513 HE22   0.00  -0.01  -0.01  -0.04   7.69     7.64