=============================================================================
          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.
       PHE  1     1.000     7.562  27.888  20.507  -99.200  -91.000
       HIS  2     0.900    -0.648  32.159  14.881  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1gvwI1 PHE 402 HA     0.04  -0.07   0.19  -0.75   4.62     4.02
1gvwI1 PHE 402 HB2    0.03  -0.00   0.01  -0.04   3.15     3.15
1gvwI1 PHE 402 HB3    0.03  -0.04  -0.07  -0.04   3.06     2.94
1gvwI1 PHE 402 HD2    0.01  -0.00   0.01  -0.04   7.28     7.26
1gvwI1 PHE 402 HE2    0.01   0.00   0.01  -0.04   7.38     7.36
1gvwI1 PHE 402 HZ     0.01   0.00   0.00  -0.04   7.32     7.29
1gvwI1 HIS 403 H      0.16   0.15   0.00  -0.55   8.41     8.17
1gvwI1 HIS 403 HA     0.06   0.27   0.61  -0.75   4.63     4.82
1gvwI1 HIS 403 HB2    0.03   0.07  -0.05  -0.04   3.26     3.26
1gvwI1 HIS 403 HB3    0.02  -0.02   0.05  -0.04   3.20     3.20
1gvwI1 HIS 403 HD2    0.03   0.02   0.04  -0.04   6.97     7.02
1gvwI1 HIS 403 HE1    0.01  -0.01   0.01  -0.04   7.75     7.71