=============================================================================
          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    56.569 -29.890   3.086  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3ibcE1 TYR 702 HA     0.00  -0.11   0.27  -0.75   4.56     3.97
3ibcE1 TYR 702 HB2    0.00  -0.02   0.10  -0.04   3.06     3.09
3ibcE1 TYR 702 HB3    0.00   0.00  -0.03  -0.04   2.98     2.91
3ibcE1 TYR 702 HD2    0.00  -0.00   0.04  -0.04   7.15     7.15
3ibcE1 TYR 702 HE2    0.00  -0.01   0.01  -0.04   6.85     6.82
3ibcE1 VAL 703 H      0.13   0.16   0.14  -0.55   8.24     8.11
3ibcE1 VAL 703 HA     0.05   0.17   0.78  -0.75   4.13     4.38
3ibcE1 VAL 703 HB     0.04  -0.02  -0.05  -0.04   2.12     2.05
3ibcE1 VAL 703 HG13   0.02  -0.01   0.12  -0.04   0.97     1.07
3ibcE1 VAL 703 HG23   0.03   0.02  -0.20  -0.04   0.95     0.76
3ibcE1 ALA 704 H      0.02   0.21   0.17  -0.55   8.40     8.26
3ibcE1 ALA 704 HA     0.02   0.16   0.92  -0.75   4.34     4.69
3ibcE1 ALA 704 HB3    0.01   0.01   0.02  -0.04   1.41     1.40
3ibcE1 ASP 705 H      0.01   0.11   0.05  -0.55   8.40     8.03
3ibcE1 ASP 705 HA     0.01   0.28   0.79  -0.75   4.63     4.96
3ibcE1 ASP 705 HB2    0.01   0.00   0.05  -0.04   2.71     2.74
3ibcE1 ASP 705 HB3    0.01   0.02   0.06  -0.04   2.70     2.75