=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 1 rings
        ring        int.           center             anis.    iso.
       TYR  3     0.840     7.158  24.783  -4.686  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2pb8P1 ALA   1 HA     0.02  -0.08   0.20  -0.75   4.34     3.72
2pb8P1 ALA   1 HB3    0.01  -0.02   0.03  -0.04   1.41     1.39
2pb8P1 VAL   2 H      0.04   0.11  -0.03  -0.55   8.24     7.81
2pb8P1 VAL   2 HA     0.06  -0.01   0.15  -0.75   4.13     3.56
2pb8P1 VAL   2 HB     0.03   0.42   0.12  -0.04   2.12     2.65
2pb8P1 VAL   2 HG13   0.02  -0.01   0.04  -0.04   0.97     0.98
2pb8P1 VAL   2 HG23   0.04  -0.05   0.05  -0.04   0.95     0.94
2pb8P1 TYR   3 H      0.14   0.19   0.04  -0.55   8.29     8.12
2pb8P1 TYR   3 HA     0.00   0.09   0.41  -0.75   4.56     4.30
2pb8P1 TYR   3 HB2    0.00   0.02   0.12  -0.04   3.06     3.15
2pb8P1 TYR   3 HB3    0.00  -0.03   0.09  -0.04   2.98     2.99
2pb8P1 TYR   3 HD2    0.00  -0.07  -0.23  -0.04   7.15     6.80
2pb8P1 TYR   3 HE2    0.00   0.02  -0.02  -0.04   6.85     6.81
2pb8P1 SER   4 H      0.12  -0.09  -1.06  -0.55   8.46     6.88
2pb8P1 SER   4 HA     0.05   0.05   0.08  -0.75   4.49     3.92
2pb8P1 SER   4 HB2   -0.14   0.42   0.25  -0.04   3.95     4.44
2pb8P1 SER   4 HB3   -0.03  -0.05   0.08  -0.04   3.93     3.89