=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 31 rings
        ring        int.           center             anis.    iso.
       TYR  5     0.840    72.525 -27.225 -25.270  -99.200  -91.000
       HIS  9     0.900    57.017 -28.804 -15.915  -99.200  -91.000
       TRP 14     1.040    47.351 -29.369 -10.959  -99.200  -91.000
      TRP6 14     1.020    47.630 -31.577 -10.159  -99.200  -91.000
       TRP 23     1.040    56.319 -40.379  -9.929  -99.200  -91.000
      TRP6 23     1.020    56.411 -42.714  -9.582  -99.200  -91.000
       TYR 52     0.840    67.846 -39.961 -24.387  -99.200  -91.000
       TYR 75     0.840    65.480 -42.379 -28.414  -99.200  -91.000
       HIS 84     0.900    54.737 -41.406  -6.500  -99.200  -91.000
       TRP 88     1.040    52.764 -33.927   1.266  -99.200  -91.000
      TRP6 88     1.020    54.947 -33.096   1.631  -99.200  -91.000
       HIS 93     0.900    53.766 -24.652  -1.975  -99.200  -91.000
       PHE 104     1.000    54.961 -27.502   2.329  -99.200  -91.000
       HIS 106     0.900    61.798 -32.312   9.032  -99.200  -91.000
       PHE 107     1.000    59.749 -31.348  -1.112  -99.200  -91.000
       TRP 108     1.040    59.060 -26.571   0.423  -99.200  -91.000
      TRP6 108     1.020    59.649 -26.330  -1.856  -99.200  -91.000
       HIS 112     0.900    69.599 -32.533   6.709  -99.200  -91.000
       TYR 114     0.840    60.064 -35.503   1.859  -99.200  -91.000
       PHE 122     1.000    64.199 -33.451  -1.329  -99.200  -91.000
       HIS 140     0.900    72.461 -40.169 -27.723  -99.200  -91.000
       HIS 150     0.900    58.970 -33.595 -14.416  -99.200  -91.000
       PHE 161     1.000    75.330 -33.317 -13.467  -99.200  -91.000
       HIS 168     0.900    74.308 -26.829   2.798  -99.200  -91.000
       TRP 170     1.040    65.080 -27.436  -1.486  -99.200  -91.000
      TRP6 170     1.020    63.980 -27.794  -3.551  -99.200  -91.000
       TYR 174     0.840    62.495 -21.347  -8.973  -99.200  -91.000
       TYR 176     0.840    63.487 -18.512 -12.482  -99.200  -91.000
       PHE 190     1.000    78.180 -36.569 -15.404  -99.200  -91.000
       HIS 191     0.900    84.361 -31.209 -17.301  -99.200  -91.000
       HIS 200     0.900    65.208 -19.659 -22.924  -99.200  -91.000