=============================================================================
          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
=============================================================================
3drfB1 ALA   1 HA     0.00  -0.09   0.23  -0.75   4.34     3.73
3drfB1 ALA   1 HB3    0.00  -0.01   0.02  -0.04   1.41     1.37
3drfB1 SER   2 H      0.00   0.19   0.13  -0.55   8.46     8.24
3drfB1 SER   2 HA     0.00   0.12   0.80  -0.75   4.49     4.65
3drfB1 SER   2 HB2    0.00  -0.02   0.08  -0.04   3.95     3.97
3drfB1 SER   2 HB3    0.00   0.09  -0.27  -0.04   3.93     3.71
3drfB1 ASN   3 H      0.00   0.12   0.14  -0.55   8.53     8.25
3drfB1 ASN   3 HA     0.00   0.08   0.68  -0.75   4.76     4.77
3drfB1 ASN   3 HB2    0.00  -0.01   0.10  -0.04   2.88     2.93
3drfB1 ASN   3 HB3    0.00   0.02  -0.01  -0.04   2.79     2.76
3drfB1 ASN   3 HD21   0.00   0.02   0.01  -0.04   7.03     7.02
3drfB1 ASN   3 HD22   0.00  -0.01   0.06  -0.04   7.74     7.76
3drfB1 SER   4 H      0.00   0.22   0.19  -0.55   8.46     8.32
3drfB1 SER   4 HA     0.00   0.10   0.76  -0.75   4.49     4.60
3drfB1 SER   4 HB2    0.00  -0.01   0.01  -0.04   3.95     3.90
3drfB1 SER   4 HB3    0.00   0.05  -0.04  -0.04   3.93     3.90
3drfB1 ILE   5 H      0.00   0.14   0.10  -0.55   8.25     7.94
3drfB1 ILE   5 HA     0.00   0.05   0.56  -0.75   4.18     4.03
3drfB1 ILE   5 HB     0.00  -0.02   0.14  -0.04   1.89     1.97
3drfB1 ILE   5 HG12   0.00   0.02   0.00  -0.04   1.49     1.48
3drfB1 ILE   5 HG13   0.00  -0.04   0.05  -0.04   1.21     1.17
3drfB1 ILE   5 HG23   0.00   0.01  -0.15  -0.04   0.93     0.75
3drfB1 ILE   5 HD13   0.00   0.01   0.01  -0.04   0.88     0.85
3drfB1 ALA   6 H      0.00   0.15   0.21  -0.55   8.40     8.21
3drfB1 ALA   6 HA     0.00   0.13   0.75  -0.75   4.34     4.47
3drfB1 ALA   6 HB3    0.00   0.01   0.06  -0.04   1.41     1.45
3drfB1 SER   7 H      0.00   0.13   0.15  -0.55   8.46     8.19
3drfB1 SER   7 HA     0.00   0.14   0.54  -0.75   4.49     4.41
3drfB1 SER   7 HB2    0.00   0.01   0.08  -0.04   3.95     4.00
3drfB1 SER   7 HB3    0.00   0.03   0.08  -0.04   3.93     4.00
3drfB1 GLY   8 H      0.00   0.07  -0.20  -0.55   8.43     7.75
3drfB1 GLY   8 HA2    0.00   0.21   0.38  -0.51   4.01     4.09
3drfB1 GLY   8 HA3    0.00   0.03   0.13  -0.51   4.01     3.66