=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 2 rings
        ring        int.           center             anis.    iso.
       TYR  2     0.840    64.785  51.452  27.230  -99.200  -91.000
       TYR  3     0.840    72.631  50.979  24.685  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2j9aD1 ALA   2 HA    -0.05  -0.02   0.05  -0.75   4.34     3.57
2j9aD1 ALA   2 HB3   -0.04  -0.00   0.01  -0.04   1.41     1.34
2j9aD1 TYR   4 HA     0.72  -0.06   0.16  -0.75   4.56     4.63
2j9aD1 TYR   4 HB2    0.12  -0.02   0.14  -0.04   3.06     3.25
2j9aD1 TYR   4 HB3    0.14   0.03   0.06  -0.04   2.98     3.16
2j9aD1 TYR   4 HD2    0.05   0.04   0.28  -0.04   7.15     7.48
2j9aD1 TYR   4 HE2    0.02   0.01  -0.01  -0.04   6.85     6.83
2j9aD1 TYR   5 H      0.11   0.13   0.02  -0.55   8.29     8.00
2j9aD1 TYR   5 HA    -0.05   0.22   0.21  -0.75   4.56     4.18
2j9aD1 TYR   5 HB2   -0.00   0.02   0.03  -0.04   3.06     3.07
2j9aD1 TYR   5 HB3   -0.02   0.01   0.05  -0.04   2.98     2.98
2j9aD1 TYR   5 HD2    0.04  -0.08  -0.00  -0.04   7.15     7.06
2j9aD1 TYR   5 HE2    0.04   0.01  -0.03  -0.04   6.85     6.83