=============================================================================
          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   -21.680 -16.880  -8.538  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3e6yC1 GLN   1 HA    -0.10  -0.02   0.16  -0.75   4.36     3.64
3e6yC1 GLN   1 HB2   -0.08  -0.02   0.06  -0.04   2.15     2.08
3e6yC1 GLN   1 HB3   -0.05  -0.03   0.04  -0.04   2.02     1.94
3e6yC1 GLN   1 HG2   -0.05  -0.03  -0.08  -0.04   2.40     2.21
3e6yC1 GLN   1 HG3   -0.10   0.03  -0.55  -0.04   2.39     1.73
3e6yC1 GLN   1 HE21  -0.04  -0.01  -0.01  -0.04   6.97     6.86
3e6yC1 GLN   1 HE22  -0.12   0.02  -0.00  -0.04   7.69     7.54
3e6yC1 SER   2 H     -0.07   0.14   0.09  -0.55   8.46     8.08
3e6yC1 SER   2 HA    -0.15   0.05   0.38  -0.75   4.49     4.01
3e6yC1 SER   2 HB2   -0.03   0.01   0.09  -0.04   3.95     3.98
3e6yC1 SER   2 HB3    0.01   0.04   0.06  -0.04   3.93     4.00
3e6yC1 TYR   3 H      0.09   0.07   0.10  -0.55   8.29     8.00
3e6yC1 TYR   3 HA     0.00   0.21   0.51  -0.75   4.56     4.52
3e6yC1 TYR   3 HB2    0.00  -0.03   0.12  -0.04   3.06     3.11
3e6yC1 TYR   3 HB3    0.00   0.03   0.07  -0.04   2.98     3.04
3e6yC1 TYR   3 HD2    0.00  -0.01   0.04  -0.04   7.15     7.13
3e6yC1 TYR   3 HE2    0.00  -0.02  -0.00  -0.04   6.85     6.79
3e6yC1 VAL   5 HA     0.03  -0.00   0.06  -0.75   4.13     3.46
3e6yC1 VAL   5 HB     0.03  -0.00  -0.05  -0.04   2.12     2.05
3e6yC1 VAL   5 HG13   0.01   0.00   0.02  -0.04   0.97     0.97
3e6yC1 VAL   5 HG23   0.01  -0.00   0.00  -0.04   0.95     0.92