=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 28 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    12.777  16.920   2.390  -99.200  -91.000
       HIS  2     0.900    20.777  17.272  -0.416  -99.200  -91.000
       HIS  3     0.900    13.372  14.939  -2.501  -99.200  -91.000
       HIS  4     0.900    19.225  12.653   3.095  -99.200  -91.000
       HIS  5     0.900    17.613   7.549  -5.570  -99.200  -91.000
       HIS  6     0.900    20.274   4.141  -2.898  -99.200  -91.000
       TYR 16     0.840     4.038 -10.317  15.037  -99.200  -91.000
       TYR 20     0.840    -4.053  -6.574  19.999  -99.200  -91.000
       PHE 22     1.000    -2.835  -5.888  10.327  -99.200  -91.000
       PHE 26     1.000    -5.567  -7.357  -0.435  -99.200  -91.000
       HIS 28     0.900   -12.828  -6.582  -7.852  -99.200  -91.000
       TYR 39     0.840    -5.036  -9.981  -3.005  -99.200  -91.000
       PHE 47     1.000    -1.972  -7.607 -11.191  -99.200  -91.000
       TRP 59     1.040   -10.768  -8.850   7.248  -99.200  -91.000
      TRP6 59     1.020   -12.877  -9.856   7.595  -99.200  -91.000
       TYR 76     0.840    11.929   1.113  -6.014  -99.200  -91.000
       HIS 81     0.900    16.660  -1.502  -8.676  -99.200  -91.000
       HIS 91     0.900     3.897  14.593 -14.881  -99.200  -91.000
       HIS 92     0.900     2.445  11.440 -12.010  -99.200  -91.000
       HIS 106     0.900     5.050  11.336   1.909  -99.200  -91.000
       TYR 118     0.840     0.040  11.745   3.489  -99.200  -91.000
       PHE 125     1.000    17.999   9.890   5.404  -99.200  -91.000
       HIS 127     0.900     9.046   9.788   0.722  -99.200  -91.000
       TYR 133     0.840    -8.278  -1.284  14.123  -99.200  -91.000
       HIS 146     0.900   -11.946   2.900   0.622  -99.200  -91.000
       TYR 147     0.840    -3.500   2.213   2.335  -99.200  -91.000
       TYR 149     0.840    -0.613   1.812  -4.119  -99.200  -91.000
       PHE 183     1.000    -1.103  -4.610  -0.712  -99.200  -91.000