=============================================================================
          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
=============================================================================
3hqmD1 PRO 1360 HA     0.00  -0.10   0.20  -0.51   4.44     4.03
3hqmD1 PRO 1360 HB2    0.00   0.05  -0.14  -0.04   2.28     2.15
3hqmD1 PRO 1360 HB3    0.00  -0.02   0.02  -0.04   2.02     1.98
3hqmD1 PRO 1360 HG2    0.00  -0.01  -0.04  -0.04   2.03     1.94
3hqmD1 PRO 1360 HG3    0.00  -0.01  -0.00  -0.04   2.03     1.98
3hqmD1 PRO 1360 HD2    0.00  -0.01   0.05  -0.04   3.68     3.67
3hqmD1 PRO 1360 HD3    0.00  -0.00   0.03  -0.04   3.65     3.63
3hqmD1 ASP 1361 H      0.00   0.09   0.06  -0.55   8.40     8.00
3hqmD1 ASP 1361 HA     0.00   0.07   0.54  -0.75   4.63     4.49
3hqmD1 VAL 1362 H      0.00   0.18   0.24  -0.55   8.24     8.11
3hqmD1 VAL 1362 HA     0.00   0.11   0.84  -0.75   4.13     4.33
3hqmD1 VAL 1362 HB     0.00  -0.02   0.16  -0.04   2.12     2.22
3hqmD1 VAL 1362 HG13   0.00  -0.01  -0.11  -0.04   0.97     0.81
3hqmD1 VAL 1362 HG23   0.00   0.04  -0.01  -0.04   0.95     0.94
3hqmD1 SER 1363 H      0.00   0.24   0.17  -0.55   8.46     8.32
3hqmD1 SER 1363 HA     0.00   0.16   0.65  -0.75   4.49     4.55
3hqmD1 SER 1363 HB2    0.00  -0.00   0.13  -0.04   3.95     4.04
3hqmD1 SER 1363 HB3    0.00   0.04  -0.19  -0.04   3.93     3.74
3hqmD1 SER 1364 H      0.00   0.24   0.18  -0.55   8.46     8.33
3hqmD1 SER 1364 HA     0.00   0.16   0.92  -0.75   4.49     4.82
3hqmD1 SER 1364 HB2    0.00   0.05  -0.04  -0.04   3.95     3.92
3hqmD1 SER 1364 HB3    0.00   0.06   0.06  -0.04   3.93     4.01
3hqmD1 SER 1365 H      0.00   0.10   0.16  -0.55   8.46     8.18
3hqmD1 SER 1365 HA     0.00   0.25   0.89  -0.75   4.49     4.87
3hqmD1 SER 1365 HB2    0.00   0.03   0.13  -0.04   3.95     4.07
3hqmD1 SER 1365 HB3    0.00   0.01  -0.02  -0.04   3.93     3.88
3hqmD1 THR 1366 H      0.00  -0.06  -0.05  -0.55   8.28     7.62
3hqmD1 THR 1366 HA     0.00   0.25   0.47  -0.75   4.39     4.36
3hqmD1 THR 1366 HB     0.00   0.05   0.05  -0.04   4.32     4.39
3hqmD1 THR 1366 HG23   0.00   0.01  -0.04  -0.04   1.22     1.15