=============================================================================
          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  4     0.840    54.247  48.293  56.096  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2azmD1 ALA 138 HA    -0.01  -0.02   0.04  -0.75   4.34     3.60
2azmD1 ALA 138 HB3   -0.02  -0.01   0.01  -0.04   1.41     1.35
2azmD1 GLN 140 HA    -0.17  -0.09   0.10  -0.75   4.36     3.45
2azmD1 GLN 140 HB2   -0.06   0.01   0.20  -0.04   2.15     2.26
2azmD1 GLN 140 HB3   -0.25  -0.06   0.00  -0.04   2.02     1.67
2azmD1 GLN 140 HG2   -0.53  -0.02  -0.04  -0.04   2.40     1.77
2azmD1 GLN 140 HG3   -0.35  -0.01   0.07  -0.04   2.39     2.06
2azmD1 GLN 140 HE21  -0.00  -0.02   0.02  -0.04   6.97     6.93
2azmD1 GLN 140 HE22   0.00  -0.01   0.01  -0.04   7.69     7.65
2azmD1 GLU 141 H     -0.26   0.11   0.09  -0.55   8.60     8.00
2azmD1 GLU 141 HA    -0.11   0.17   0.86  -0.75   4.29     4.45
2azmD1 GLU 141 HB2   -0.11   0.00   0.07  -0.04   2.09     2.01
2azmD1 GLU 141 HB3   -0.06  -0.07   0.04  -0.04   1.99     1.85
2azmD1 GLU 141 HG2   -0.03   0.01   0.02  -0.04   2.34     2.30
2azmD1 GLU 141 HG3   -0.06   0.04  -0.16  -0.04   2.34     2.12
2azmD1 TYR 142 H      0.07   0.11   0.04  -0.55   8.29     7.96
2azmD1 TYR 142 HA     0.00   0.25   0.72  -0.75   4.56     4.79
2azmD1 TYR 142 HB2    0.00   0.00   0.01  -0.04   3.06     3.03
2azmD1 TYR 142 HB3    0.00   0.01   0.02  -0.04   2.98     2.97
2azmD1 TYR 142 HD2    0.00  -0.02  -0.10  -0.04   7.15     6.99
2azmD1 TYR 142 HE2    0.00   0.04  -0.08  -0.04   6.85     6.77