=============================================================================
          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
=============================================================================
3hbvZ1 ALA   1 HA     0.00  -0.08   0.21  -0.75   4.34     3.71
3hbvZ1 ALA   1 HB3    0.00  -0.01   0.04  -0.04   1.41     1.40
3hbvZ1 LYS   2 H      0.00   0.13   0.09  -0.55   8.42     8.09
3hbvZ1 LYS   2 HA     0.00   0.19   0.94  -0.75   4.32     4.70
3hbvZ1 LYS   2 HB2    0.00   0.04  -0.08  -0.04   1.87     1.79
3hbvZ1 LYS   2 HB3    0.00  -0.04   0.06  -0.04   1.79     1.77
3hbvZ1 LYS   2 HG2    0.00   0.07  -0.24  -0.04   1.46     1.25
3hbvZ1 LYS   2 HG3    0.00   0.01  -0.05  -0.04   1.46     1.38
3hbvZ1 LYS   2 HD2    0.00  -0.03  -0.15  -0.04   1.69     1.46
3hbvZ1 LYS   2 HD3    0.00  -0.01  -0.20  -0.04   1.68     1.43
3hbvZ1 LYS   2 HE2    0.00   0.02  -0.05  -0.04   2.99     2.92
3hbvZ1 LYS   2 HE3    0.00  -0.00  -0.04  -0.04   2.99     2.90
3hbvZ1 ALA   3 H      0.00   0.22   0.15  -0.55   8.40     8.22
3hbvZ1 ALA   3 HA     0.00   0.15   0.92  -0.75   4.34     4.65
3hbvZ1 ALA   3 HB3    0.00   0.01   0.01  -0.04   1.41     1.39
3hbvZ1 SER   4 H      0.00   0.16   0.12  -0.55   8.46     8.20
3hbvZ1 SER   4 HA     0.00   0.14   0.83  -0.75   4.49     4.71
3hbvZ1 SER   4 HB2    0.00  -0.03   0.07  -0.04   3.95     3.95
3hbvZ1 SER   4 HB3    0.00   0.08  -0.07  -0.04   3.93     3.90
3hbvZ1 GLN   5 H      0.00   0.15   0.15  -0.55   8.47     8.22
3hbvZ1 GLN   5 HA     0.00   0.10   0.78  -0.75   4.36     4.48
3hbvZ1 GLN   5 HB2    0.00  -0.03   0.12  -0.04   2.15     2.20
3hbvZ1 GLN   5 HB3    0.00   0.13  -0.03  -0.04   2.02     2.08
3hbvZ1 GLN   5 HG2    0.00   0.00   0.01  -0.04   2.40     2.38
3hbvZ1 GLN   5 HG3    0.00   0.00   0.04  -0.04   2.39     2.39
3hbvZ1 GLN   5 HE21   0.00   0.05  -0.04  -0.04   6.97     6.95
3hbvZ1 GLN   5 HE22   0.00  -0.01   0.00  -0.04   7.69     7.64
3hbvZ1 ALA   6 H      0.00   0.10   0.14  -0.55   8.40     8.09
3hbvZ1 ALA   6 HA     0.00   0.02   0.43  -0.75   4.34     4.04
3hbvZ1 ALA   6 HB3    0.00   0.01   0.08  -0.04   1.41     1.45
3hbvZ1 ALA   7 H      0.00   0.04   0.07  -0.55   8.40     7.97
3hbvZ1 ALA   7 HA     0.00   0.21   0.37  -0.75   4.34     4.16
3hbvZ1 ALA   7 HB3    0.00   0.02   0.07  -0.04   1.41     1.45