=============================================================================
          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
=============================================================================
2wp1P1 ALA  15 HA     0.00  -0.06   0.21  -0.75   4.34     3.74
2wp1P1 ALA  15 HB3    0.00  -0.02   0.02  -0.04   1.41     1.38
2wp1P1 PRO  16 HA     0.00   0.07   0.48  -0.51   4.44     4.48
2wp1P1 PRO  16 HB2    0.00  -0.01  -0.00  -0.04   2.28     2.22
2wp1P1 PRO  16 HB3    0.00   0.02   0.10  -0.04   2.02     2.09
2wp1P1 PRO  16 HG2    0.00   0.00   0.06  -0.04   2.03     2.05
2wp1P1 PRO  16 HG3    0.00   0.04   0.05  -0.04   2.03     2.08
2wp1P1 PRO  16 HD2    0.00   0.07   0.16  -0.04   3.68     3.87
2wp1P1 PRO  16 HD3    0.00   0.10   0.16  -0.04   3.65     3.87
2wp1P1 ARG  17 H      0.00   0.25   0.12  -0.55   8.46     8.28
2wp1P1 ARG  17 HA     0.00   0.15   0.49  -0.75   4.34     4.23
2wp1P1 ARG  17 HB2    0.00  -0.00   0.02  -0.04   1.90     1.87
2wp1P1 ARG  17 HB3    0.00  -0.02   0.06  -0.04   1.80     1.81
2wp1P1 ARG  17 HG2    0.00   0.00   0.01  -0.04   1.67     1.64
2wp1P1 ARG  17 HG3    0.00   0.19  -0.56  -0.04   1.67     1.26
2wp1P1 ARG  17 HD2    0.00  -0.00  -0.05  -0.04   3.22     3.12
2wp1P1 ARG  17 HD3    0.00  -0.02  -0.05  -0.04   3.22     3.11
2wp1P1 GLN  19 HA     0.00  -0.10   0.13  -0.75   4.36     3.63
2wp1P1 GLN  19 HB2    0.00  -0.06   0.23  -0.04   2.15     2.28
2wp1P1 GLN  19 HB3    0.00   0.08  -0.07  -0.04   2.02     2.00
2wp1P1 GLN  19 HG2    0.00   0.17   0.35  -0.04   2.40     2.88
2wp1P1 GLN  19 HG3    0.00  -0.04   0.05  -0.04   2.39     2.36
2wp1P1 GLN  19 HE21   0.00  -0.04  -0.09  -0.04   6.97     6.79
2wp1P1 GLN  19 HE22   0.00   0.17  -0.21  -0.04   7.69     7.61
2wp1P1 LEU  20 H      0.00   0.06   0.07  -0.55   8.37     7.96
2wp1P1 LEU  20 HA     0.00  -0.01   0.51  -0.75   4.35     4.10
2wp1P1 LEU  20 HB2    0.00   0.00   0.20  -0.04   1.64     1.81
2wp1P1 LEU  20 HB3    0.00  -0.01   0.05  -0.04   1.64     1.64
2wp1P1 LEU  20 HG     0.00  -0.00   0.09  -0.04   1.64     1.69
2wp1P1 LEU  20 HD13   0.00  -0.01   0.04  -0.04   0.93     0.91
2wp1P1 LEU  20 HD23   0.00   0.00  -0.00  -0.04   0.89     0.85
2wp1P1 ALA  21 H      0.00   0.08   0.18  -0.55   8.40     8.12
2wp1P1 ALA  21 HA     0.00  -0.08   0.19  -0.75   4.34     3.70
2wp1P1 ALA  21 HB3    0.00  -0.04  -0.05  -0.04   1.41     1.28