=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 23 rings
        ring        int.           center             anis.    iso.
       TYR  2     0.840    58.675 119.886  70.698  -99.200  -91.000
       HIS 21     0.900    58.665 139.639  70.605  -99.200  -91.000
       PHE 28     1.000    40.572 140.061  68.530  -99.200  -91.000
       HIS 31     0.900    43.876 140.474  74.335  -99.200  -91.000
       PHE 35     1.000    48.069 128.345  72.387  -99.200  -91.000
       PHE 37     1.000    47.604 133.572  82.734  -99.200  -91.000
       HIS 38     0.900    43.574 131.831  80.230  -99.200  -91.000
       HIS 52     0.900    41.789 133.683  54.734  -99.200  -91.000
       HIS 53     0.900    46.766 135.125  51.710  -99.200  -91.000
       HIS 74     0.900    52.776 106.476  79.829  -99.200  -91.000
       PHE 75     1.000    49.056 112.401  74.917  -99.200  -91.000
       TYR 78     0.840    39.878 111.115  76.152  -99.200  -91.000
       TYR 81     0.840    30.575 124.186  79.816  -99.200  -91.000
       TYR 99     0.840    34.785 116.268  62.603  -99.200  -91.000
       PHE 102     1.000    34.411 128.442  64.997  -99.200  -91.000
       PHE 114     1.000    41.153 138.857  63.789  -99.200  -91.000
       PHE 122     1.000    44.978 130.508  65.730  -99.200  -91.000
       PHE 123     1.000    40.382 128.791  67.979  -99.200  -91.000
       HIS 135     0.900    32.590 118.035  68.473  -99.200  -91.000
       HIS 145     0.900    38.144 142.107  72.726  -99.200  -91.000
       HIS 146     0.900    32.652 140.774  76.749  -99.200  -91.000
       PHE 152     1.000    41.963 132.802  69.784  -99.200  -91.000
       PHE 155     1.000    42.524 124.941  70.879  -99.200  -91.000