=============================================================================
          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
=============================================================================
3luoB1 ALA   2 HA     0.00  -0.04   0.15  -0.75   4.34     3.69
3luoB1 ALA   2 HB3    0.00  -0.05   0.05  -0.04   1.41     1.37
3luoB1 LEU   3 H      0.00   0.01   0.04  -0.55   8.37     7.87
3luoB1 LEU   3 HA     0.00  -0.07   0.06  -0.75   4.35     3.59
3luoB1 LEU   3 HB2    0.00   0.06   0.02  -0.04   1.64     1.68
3luoB1 LEU   3 HB3    0.00  -0.12   0.11  -0.04   1.64     1.60
3luoB1 LEU   3 HG     0.00   0.03   0.09  -0.04   1.64     1.71
3luoB1 LEU   3 HD13   0.00   0.00   0.02  -0.04   0.93     0.92
3luoB1 LEU   3 HD23   0.00  -0.02  -0.01  -0.04   0.89     0.81
3luoB1 PRO   4 HA     0.00  -0.09   0.37  -0.51   4.44     4.21
3luoB1 PRO   4 HB2    0.00   0.05   0.08  -0.04   2.28     2.36
3luoB1 PRO   4 HB3    0.00  -0.01   0.06  -0.04   2.02     2.03
3luoB1 PRO   4 HG2    0.00   0.03   0.11  -0.04   2.03     2.12
3luoB1 PRO   4 HG3    0.00   0.00   0.08  -0.04   2.03     2.07
3luoB1 PRO   4 HD2    0.00   0.10   0.17  -0.04   3.68     3.91
3luoB1 PRO   4 HD3    0.00   0.18   0.54  -0.04   3.65     4.33
3luoB1 ALA   5 H      0.00   0.08   0.05  -0.55   8.40     7.99
3luoB1 ALA   5 HA     0.00   0.30   0.68  -0.75   4.34     4.57
3luoB1 ALA   5 HB3    0.00   0.03  -0.05  -0.04   1.41     1.35