=============================================================================
          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
=============================================================================
2v85E1 ALA   1 HA     0.00  -0.03   0.04  -0.75   4.34     3.60
2v85E1 ALA   1 HB3    0.00  -0.01   0.01  -0.04   1.41     1.37
2v85E1 THR   3 HA     0.00  -0.04   0.05  -0.75   4.39     3.64
2v85E1 THR   3 HB     0.00  -0.01  -0.01  -0.04   4.32     4.25
2v85E1 THR   3 HG23   0.00   0.05  -0.50  -0.04   1.22     0.73
2v85E1 GLN   5 HA     0.00  -0.03   0.22  -0.75   4.36     3.80
2v85E1 GLN   5 HB2    0.00  -0.02   0.13  -0.04   2.15     2.22
2v85E1 GLN   5 HB3    0.00   0.01   0.16  -0.04   2.02     2.15
2v85E1 GLN   5 HG2    0.00  -0.01   0.05  -0.04   2.40     2.40
2v85E1 GLN   5 HG3    0.00  -0.02   0.05  -0.04   2.39     2.38
2v85E1 GLN   5 HE21   0.00   0.00   0.04  -0.04   6.97     6.97
2v85E1 GLN   5 HE22   0.00   0.00   0.03  -0.04   7.69     7.68
2v85E1 THR   6 H      0.00   0.14  -0.01  -0.55   8.28     7.86
2v85E1 THR   6 HA     0.00   0.21   0.90  -0.75   4.39     4.74
2v85E1 THR   6 HB     0.00  -0.04   0.12  -0.04   4.32     4.37
2v85E1 THR   6 HG23   0.00   0.00  -0.16  -0.04   1.22     1.03
2v85E1 ALA   7 H      0.00   0.06   0.01  -0.55   8.40     7.93
2v85E1 ALA   7 HA     0.00   0.08   0.68  -0.75   4.34     4.35
2v85E1 ALA   7 HB3    0.00   0.01   0.06  -0.04   1.41     1.44
2v85E1 ARG   8 H      0.00   0.06   0.15  -0.55   8.46     8.11
2v85E1 ARG   8 HA     0.00   0.07   0.33  -0.75   4.34     3.98
2v85E1 LYS   9 H      0.00  -0.02   0.06  -0.55   8.42     7.91
2v85E1 LYS   9 HA     0.00  -0.04   0.12  -0.75   4.32     3.65