=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 11 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    23.840  40.440  20.336  -99.200  -91.000
       HIS  2     0.900    19.242  36.042  20.931  -99.200  -91.000
       HIS  3     0.900    14.717  43.124  16.643  -99.200  -91.000
       HIS  4     0.900    13.474  41.761  25.202  -99.200  -91.000
       HIS  5     0.900    14.487  35.942  19.339  -99.200  -91.000
       HIS  6     0.900    12.491  36.697  26.586  -99.200  -91.000
       TYR 21     0.840     0.747  11.560  27.502  -99.200  -91.000
       HIS 29     0.900     4.316   9.808  16.987  -99.200  -91.000
       PHE 31     1.000     3.487  20.594  13.908  -99.200  -91.000
       TYR 81     0.840     0.436  24.051   2.815  -99.200  -91.000
       PHE 89     1.000     4.716  24.116  17.391  -99.200  -91.000