=============================================================================
          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
=============================================================================
3hqhM1 ALA 169 HA     0.00  -0.06   0.16  -0.75   4.34     3.69
3hqhM1 ALA 169 HB3    0.00  -0.02  -0.00  -0.04   1.41     1.35
3hqhM1 SER 170 H      0.00   0.09   0.09  -0.55   8.46     8.08
3hqhM1 SER 170 HA     0.00   0.12   0.79  -0.75   4.49     4.64
3hqhM1 SER 170 HB2    0.00  -0.04   0.11  -0.04   3.95     3.98
3hqhM1 SER 170 HB3    0.00   0.09   0.02  -0.04   3.93     3.99
3hqhM1 ALA 171 H      0.00   0.10   0.18  -0.55   8.40     8.13
3hqhM1 ALA 171 HA     0.00   0.10   0.53  -0.75   4.34     4.21
3hqhM1 ALA 171 HB3    0.00   0.01   0.09  -0.04   1.41     1.47
3hqhM1 ASP 172 H      0.00   0.23   0.23  -0.55   8.40     8.31
3hqhM1 ASP 172 HA     0.00   0.15   0.74  -0.75   4.63     4.76
3hqhM1 ASP 172 HB2    0.00   0.02   0.09  -0.04   2.71     2.77
3hqhM1 ASP 172 HB3    0.00   0.07  -0.12  -0.04   2.70     2.61
3hqhM1 SER 173 H      0.00   0.25   0.18  -0.55   8.46     8.35
3hqhM1 SER 173 HA     0.00   0.17   0.94  -0.75   4.49     4.84
3hqhM1 SER 173 HB2    0.00   0.01  -0.05  -0.04   3.95     3.87
3hqhM1 SER 173 HB3    0.00   0.16   0.12  -0.04   3.93     4.17
3hqhM1 THR 174 H      0.00   0.16   0.15  -0.55   8.28     8.04
3hqhM1 THR 174 HA     0.00   0.12   0.48  -0.75   4.39     4.23
3hqhM1 THR 174 HB     0.00   0.02   0.12  -0.04   4.32     4.42
3hqhM1 THR 174 HG23   0.00   0.01   0.03  -0.04   1.22     1.22
3hqhM1 THR 175 H      0.00   0.03  -0.32  -0.55   8.28     7.45
3hqhM1 THR 175 HA     0.00   0.21   0.91  -0.75   4.39     4.75
3hqhM1 THR 175 HB     0.00   0.07  -0.03  -0.04   4.32     4.32
3hqhM1 THR 175 HG23   0.00  -0.02  -0.17  -0.04   1.22     0.99
3hqhM1 GLU 176 H      0.00   0.15   0.10  -0.55   8.60     8.31
3hqhM1 GLU 176 HA     0.00   0.08   0.69  -0.75   4.29     4.31
3hqhM1 GLU 176 HB2    0.00  -0.00   0.15  -0.04   2.09     2.20
3hqhM1 GLU 176 HB3    0.00  -0.00   0.01  -0.04   1.99     1.95
3hqhM1 GLU 176 HG2    0.00   0.03  -0.05  -0.04   2.34     2.28
3hqhM1 GLU 176 HG3    0.00  -0.01  -0.04  -0.04   2.34     2.25
3hqhM1 GLY 177 H      0.00   0.10   0.07  -0.55   8.43     8.06
3hqhM1 GLY 177 HA2    0.00   0.05   0.18  -0.51   4.01     3.73
3hqhM1 GLY 177 HA3    0.00   0.12   0.23  -0.51   4.01     3.85