=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 34 rings
        ring        int.           center             anis.    iso.
       HIS  4     0.900   -45.897  29.158  30.821  -99.200  -91.000
       HIS 16     0.900   -36.385  12.018  26.498  -99.200  -91.000
       TYR 24     0.840   -51.412  31.394  28.426  -99.200  -91.000
       HIS 42     0.900   -51.083  31.487  22.426  -99.200  -91.000
       PHE 54     1.000   -32.872  15.409  18.985  -99.200  -91.000
       PHE 57     1.000   -44.784  19.527  16.659  -99.200  -91.000
       HIS 58     0.900   -41.320  27.999  14.687  -99.200  -91.000
       PHE 72     1.000   -62.741  10.600  11.127  -99.200  -91.000
       HIS 85     0.900   -33.180  15.858  13.740  -99.200  -91.000
       PHE 88     1.000   -44.930  19.407  11.900  -99.200  -91.000
       TYR 91     0.840   -51.252  31.430  14.227  -99.200  -91.000
       HIS 95     0.900   -57.105  19.000   9.042  -99.200  -91.000
       TYR 111     0.840   -38.957  25.254   7.637  -99.200  -91.000
       PHE 112     1.000   -44.861  19.422   7.170  -99.200  -91.000
       HIS 117     0.900   -55.182  21.310   5.285  -99.200  -91.000
       HIS 120     0.900   -59.279  13.141   4.456  -99.200  -91.000
       HIS 132     0.900   -46.788  31.987   5.457  -99.200  -91.000
       HIS 139     0.900   -57.160   9.275   1.262  -99.200  -91.000
       PHE 145     1.000   -33.606  15.557  -0.090  -99.200  -91.000
       PHE 147     1.000   -39.600  25.182  -2.513  -99.200  -91.000
       HIS 155     0.900   -58.444  16.550  -7.154  -99.200  -91.000
       PHE 157     1.000   -57.968   9.453  -3.203  -99.200  -91.000
       PHE 159     1.000   -49.279   8.246  -5.438  -99.200  -91.000
       TYR 163     0.840   -33.886  14.529  -4.782  -99.200  -91.000
       TYR 179     0.840   -35.630  12.229 -10.400  -99.200  -91.000
       PHE 202     1.000   -30.501  13.472  -8.389  -99.200  -91.000
       HIS 212     0.900   -32.209   9.198 -23.969  -99.200  -91.000
       TYR 214     0.840   -39.178  13.243 -16.686  -99.200  -91.000
       TYR 218     0.840   -43.469  14.789 -20.129  -99.200  -91.000
       HIS 219     0.900   -39.339  18.016 -24.186  -99.200  -91.000
       TYR 243     0.840   -39.207   7.951  -8.306  -99.200  -91.000
       PHE 247     1.000   -44.835  10.041  -9.962  -99.200  -91.000
       PHE 248     1.000   -44.478   9.983 -16.558  -99.200  -91.000
       HIS 258     0.900   -43.404  19.054 -21.041  -99.200  -91.000