=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 0 rings

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        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2whyB1 GLY  12 HA2    0.00  -0.03   0.08  -0.51   4.01     3.55
2whyB1 GLY  12 HA3    0.00   0.00   0.17  -0.51   4.01     3.68
2whyB1 THR  13 H      0.00   0.17  -0.03  -0.55   8.28     7.88
2whyB1 THR  13 HA     0.00   0.15   0.36  -0.75   4.39     4.15
2whyB1 THR  13 HB     0.00   0.29   0.03  -0.04   4.32     4.60
2whyB1 THR  13 HG23   0.00   0.05  -0.26  -0.04   1.22     0.97
2whyB1 GLY  22 HA2    0.00  -0.03   0.16  -0.51   4.01     3.63
2whyB1 GLY  22 HA3    0.00   0.00   0.22  -0.51   4.01     3.72
2whyB1 THR  23 H      0.00   0.20   0.09  -0.55   8.28     8.02
2whyB1 THR  23 HA     0.00   0.20   0.67  -0.75   4.39     4.50
2whyB1 THR  23 HB     0.00   0.39   0.00  -0.04   4.32     4.67
2whyB1 THR  23 HG23   0.00   0.06  -0.27  -0.04   1.22     0.97
2whyB1 GLY  32 HA2    0.00  -0.02   0.09  -0.51   4.01     3.57
2whyB1 GLY  32 HA3    0.00  -0.00   0.18  -0.51   4.01     3.68
2whyB1 THR  33 H      0.00   0.19   0.00  -0.55   8.28     7.92
2whyB1 THR  33 HA     0.00   0.17   0.41  -0.75   4.39     4.22
2whyB1 THR  33 HB     0.00   0.32   0.05  -0.04   4.32     4.65
2whyB1 THR  33 HG23   0.00   0.06  -0.14  -0.04   1.22     1.10