=============================================================================
          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  1     0.840     1.613   0.664  78.073  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1yjmG1 TYR   4 HA     0.00  -0.02   0.16  -0.75   4.56     3.94
1yjmG1 TYR   4 HB2    0.00  -0.01  -0.01  -0.04   3.06     3.00
1yjmG1 TYR   4 HB3    0.00   0.01   0.10  -0.04   2.98     3.04
1yjmG1 TYR   4 HD2    0.00   0.00   0.03  -0.04   7.15     7.14
1yjmG1 TYR   4 HE2    0.00   0.00   0.01  -0.04   6.85     6.82
1yjmG1 ASP   5 H      0.04   0.15   0.05  -0.55   8.40     8.10
1yjmG1 ASP   5 HA     0.05   0.16   0.70  -0.75   4.63     4.79
1yjmG1 ASP   5 HB2    0.03  -0.03   0.18  -0.04   2.71     2.85
1yjmG1 ASP   5 HB3    0.05   0.08  -0.06  -0.04   2.70     2.73
1yjmG1 GLU   6 H      0.02   0.08   0.05  -0.55   8.60     8.21
1yjmG1 GLU   6 HA     0.00   0.11   0.62  -0.75   4.29     4.27
1yjmG1 GLU   6 HB2    0.00   0.03   0.04  -0.04   2.09     2.11
1yjmG1 GLU   6 HB3   -0.00  -0.01   0.12  -0.04   1.99     2.05
1yjmG1 GLU   6 HG2   -0.02  -0.06   0.03  -0.04   2.34     2.25
1yjmG1 GLU   6 HG3   -0.02   0.03   0.03  -0.04   2.34     2.34
1yjmG1 SER   7 H      0.00   0.10   0.05  -0.55   8.46     8.07
1yjmG1 SER   7 HA     0.01   0.19   0.34  -0.75   4.49     4.28
1yjmG1 SER   7 HB2    0.00   0.03   0.07  -0.04   3.95     4.01
1yjmG1 SER   7 HB3    0.00   0.03   0.06  -0.04   3.93     3.98