=============================================================================
          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
=============================================================================
1nvrB1 ALA 301 HA     0.00  -0.09   0.24  -0.75   4.34     3.73
1nvrB1 ALA 301 HB3    0.00  -0.01   0.02  -0.04   1.41     1.38
1nvrB1 SER 302 H      0.00   0.19   0.16  -0.55   8.46     8.27
1nvrB1 SER 302 HA     0.00   0.15   0.62  -0.75   4.49     4.50
1nvrB1 SER 302 HB2    0.00  -0.02   0.13  -0.04   3.95     4.02
1nvrB1 SER 302 HB3    0.00   0.09  -0.16  -0.04   3.93     3.82
1nvrB1 VAL 303 H      0.00   0.31   0.21  -0.55   8.24     8.21
1nvrB1 VAL 303 HA     0.00   0.12   0.69  -0.75   4.13     4.19
1nvrB1 VAL 303 HB     0.00   0.05   0.09  -0.04   2.12     2.22
1nvrB1 VAL 303 HG13   0.00  -0.01  -0.24  -0.04   0.97     0.68
1nvrB1 VAL 303 HG23   0.00  -0.01  -0.13  -0.04   0.95     0.77
1nvrB1 SER 304 H      0.00   0.18   0.17  -0.55   8.46     8.26
1nvrB1 SER 304 HA     0.00   0.20   0.93  -0.75   4.49     4.87
1nvrB1 SER 304 HB2    0.00  -0.03   0.07  -0.04   3.95     3.96
1nvrB1 SER 304 HB3    0.00   0.04   0.00  -0.04   3.93     3.93
1nvrB1 ALA 305 H      0.00   0.16   0.06  -0.55   8.40     8.07
1nvrB1 ALA 305 HA     0.00   0.22   0.53  -0.75   4.34     4.34
1nvrB1 ALA 305 HB3    0.00   0.02   0.04  -0.04   1.41     1.43