=============================================================================
          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
=============================================================================
2vpgR1 ALA   1 HA     0.00  -0.03   0.04  -0.75   4.34     3.60
2vpgR1 ALA   1 HB3    0.00  -0.01  -0.00  -0.04   1.41     1.36
2vpgR1 THR   3 HA     0.00  -0.06   0.13  -0.75   4.39     3.71
2vpgR1 THR   3 HB     0.00  -0.02   0.06  -0.04   4.32     4.31
2vpgR1 THR   3 HG23   0.00   0.03  -0.45  -0.04   1.22     0.76
2vpgR1 GLN   5 HA     0.00  -0.07   0.26  -0.75   4.36     3.80
2vpgR1 GLN   5 HB2    0.00  -0.06   0.10  -0.04   2.15     2.15
2vpgR1 GLN   5 HB3    0.00   0.04  -0.10  -0.04   2.02     1.91
2vpgR1 GLN   5 HG2    0.00  -0.01   0.03  -0.04   2.40     2.38
2vpgR1 GLN   5 HG3    0.00  -0.02   0.07  -0.04   2.39     2.39
2vpgR1 GLN   5 HE21   0.00  -0.02   0.01  -0.04   6.97     6.92
2vpgR1 GLN   5 HE22   0.00  -0.01   0.03  -0.04   7.69     7.67
2vpgR1 THR   6 H      0.00   0.42  -0.89  -0.55   8.28     7.26
2vpgR1 THR   6 HA     0.00  -0.09   0.44  -0.75   4.39     3.99
2vpgR1 THR   6 HB     0.00   0.06   0.12  -0.04   4.32     4.46
2vpgR1 THR   6 HG23   0.00   0.02  -0.11  -0.04   1.22     1.09
2vpgR1 ALA   7 H      0.00   0.03   0.10  -0.55   8.40     7.99
2vpgR1 ALA   7 HA     0.00   0.16   0.33  -0.75   4.34     4.08
2vpgR1 ALA   7 HB3    0.00   0.00   0.09  -0.04   1.41     1.46