=============================================================================
          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
=============================================================================
1nvqB1 ALA 301 HA     0.00  -0.07   0.21  -0.75   4.34     3.73
1nvqB1 ALA 301 HB3    0.00  -0.01   0.02  -0.04   1.41     1.38
1nvqB1 SER 302 H      0.00   0.20   0.16  -0.55   8.46     8.28
1nvqB1 SER 302 HA     0.00   0.12   0.56  -0.75   4.49     4.42
1nvqB1 SER 302 HB2    0.00  -0.03   0.15  -0.04   3.95     4.03
1nvqB1 SER 302 HB3    0.00   0.14  -0.16  -0.04   3.93     3.87
1nvqB1 VAL 303 H      0.00   0.28   0.21  -0.55   8.24     8.17
1nvqB1 VAL 303 HA     0.00   0.14   0.73  -0.75   4.13     4.25
1nvqB1 VAL 303 HB     0.00   0.05   0.10  -0.04   2.12     2.23
1nvqB1 VAL 303 HG13   0.00  -0.01  -0.21  -0.04   0.97     0.72
1nvqB1 VAL 303 HG23   0.00  -0.01  -0.14  -0.04   0.95     0.76
1nvqB1 SER 304 H      0.00   0.19   0.18  -0.55   8.46     8.28
1nvqB1 SER 304 HA     0.00   0.17   0.90  -0.75   4.49     4.81
1nvqB1 SER 304 HB2    0.00  -0.03   0.05  -0.04   3.95     3.93
1nvqB1 SER 304 HB3    0.00   0.03  -0.01  -0.04   3.93     3.91
1nvqB1 ALA 305 H      0.00   0.13   0.06  -0.55   8.40     8.05
1nvqB1 ALA 305 HA     0.00   0.23   0.59  -0.75   4.34     4.41
1nvqB1 ALA 305 HB3    0.00   0.02   0.05  -0.04   1.41     1.44