=============================================================================
          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
=============================================================================
3hqmC1 PRO 1360 HA     0.00  -0.09   0.19  -0.51   4.44     4.03
3hqmC1 PRO 1360 HB2    0.00   0.05  -0.15  -0.04   2.28     2.14
3hqmC1 PRO 1360 HB3    0.00  -0.02   0.02  -0.04   2.02     1.98
3hqmC1 PRO 1360 HG2    0.00  -0.01  -0.04  -0.04   2.03     1.94
3hqmC1 PRO 1360 HG3    0.00  -0.01  -0.01  -0.04   2.03     1.98
3hqmC1 PRO 1360 HD2    0.00  -0.01   0.04  -0.04   3.68     3.67
3hqmC1 PRO 1360 HD3    0.00  -0.00   0.03  -0.04   3.65     3.63
3hqmC1 ASP 1361 H      0.00   0.09   0.05  -0.55   8.40     8.00
3hqmC1 ASP 1361 HA     0.00   0.06   0.49  -0.75   4.63     4.43
3hqmC1 VAL 1362 H      0.00   0.18   0.26  -0.55   8.24     8.13
3hqmC1 VAL 1362 HA     0.00   0.11   0.83  -0.75   4.13     4.32
3hqmC1 VAL 1362 HB     0.00  -0.03   0.16  -0.04   2.12     2.22
3hqmC1 VAL 1362 HG13   0.00  -0.01  -0.10  -0.04   0.97     0.81
3hqmC1 VAL 1362 HG23   0.00   0.05   0.01  -0.04   0.95     0.96
3hqmC1 SER 1363 H      0.00   0.25   0.18  -0.55   8.46     8.35
3hqmC1 SER 1363 HA     0.00   0.14   0.62  -0.75   4.49     4.50
3hqmC1 SER 1363 HB2    0.00  -0.01   0.11  -0.04   3.95     4.02
3hqmC1 SER 1363 HB3    0.00   0.05  -0.19  -0.04   3.93     3.74
3hqmC1 SER 1364 H      0.00   0.25   0.17  -0.55   8.46     8.34
3hqmC1 SER 1364 HA     0.00   0.16   0.96  -0.75   4.49     4.86
3hqmC1 SER 1364 HB2    0.00   0.05  -0.06  -0.04   3.95     3.90
3hqmC1 SER 1364 HB3    0.00   0.06   0.06  -0.04   3.93     4.00
3hqmC1 SER 1365 H      0.00   0.11   0.16  -0.55   8.46     8.18
3hqmC1 SER 1365 HA     0.00   0.25   0.90  -0.75   4.49     4.88
3hqmC1 SER 1365 HB2    0.00   0.03   0.12  -0.04   3.95     4.06
3hqmC1 SER 1365 HB3    0.00   0.00   0.00  -0.04   3.93     3.89
3hqmC1 THR 1366 H      0.00  -0.06  -0.06  -0.55   8.28     7.61
3hqmC1 THR 1366 HA     0.00   0.22   0.42  -0.75   4.39     4.28
3hqmC1 THR 1366 HB     0.00   0.05   0.05  -0.04   4.32     4.39
3hqmC1 THR 1366 HG23   0.00   0.00  -0.02  -0.04   1.22     1.16