=============================================================================
          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    11.524  -6.267 -29.668  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3k05C1 GLN 140 HA    -0.13  -0.10   0.22  -0.75   4.36     3.60
3k05C1 GLN 140 HB2   -0.00  -0.03  -0.02  -0.04   2.15     2.05
3k05C1 GLN 140 HB3   -0.44   0.05  -0.07  -0.04   2.02     1.52
3k05C1 GLN 140 HG2   -0.01  -0.01   0.03  -0.04   2.40     2.37
3k05C1 GLN 140 HG3   -0.01  -0.01   0.00  -0.04   2.39     2.33
3k05C1 GLN 140 HE21  -0.07  -0.01   0.02  -0.04   6.97     6.87
3k05C1 GLN 140 HE22  -0.08   0.00   0.01  -0.04   7.69     7.58
3k05C1 GLU 141 H     -0.23   0.11   0.12  -0.55   8.60     8.06
3k05C1 GLU 141 HA    -0.05   0.17   0.82  -0.75   4.29     4.48
3k05C1 GLU 141 HB2   -0.09  -0.03   0.06  -0.04   2.09     1.99
3k05C1 GLU 141 HB3   -0.04   0.02   0.04  -0.04   1.99     1.97
3k05C1 GLU 141 HG2   -0.00   0.04   0.00  -0.04   2.34     2.34
3k05C1 GLU 141 HG3   -0.04  -0.00  -0.21  -0.04   2.34     2.04
3k05C1 TYR 142 H      0.09   0.22   0.04  -0.55   8.29     8.09
3k05C1 TYR 142 HA     0.00   0.23   0.66  -0.75   4.56     4.70
3k05C1 TYR 142 HB2    0.00   0.01   0.02  -0.04   3.06     3.05
3k05C1 TYR 142 HB3    0.00   0.02   0.02  -0.04   2.98     2.97
3k05C1 TYR 142 HD2    0.00  -0.01  -0.10  -0.04   7.15     7.00
3k05C1 TYR 142 HE2    0.00   0.06  -0.11  -0.04   6.85     6.76