=============================================================================
          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  1     0.900   -13.490  13.762 -11.386  -99.200  -91.000
       HIS  2     0.900   -17.648   9.662  -5.044  -99.200  -91.000
       TYR  6     0.840    -8.184   3.597 -12.460  -99.200  -91.000
       HIS 17     0.900   -17.574   0.566 -20.373  -99.200  -91.000
       TRP 22     1.040   -27.094  -3.509 -18.755  -99.200  -91.000
      TRP6 22     1.020   -26.922  -5.851 -18.414  -99.200  -91.000
       PHE 27     1.000   -19.651   4.419 -16.455  -99.200  -91.000
       PHE 31     1.000   -10.856   3.969 -22.729  -99.200  -91.000
       HIS 34     0.900    -2.095  -6.840 -22.255  -99.200  -91.000
       TYR 42     0.840    -4.290  -0.220 -12.666  -99.200  -91.000
       TRP 59     1.040   -12.767   1.069  -1.047  -99.200  -91.000
      TRP6 59     1.020   -14.803   0.254  -1.944  -99.200  -91.000
       TYR 70     0.840   -19.581   0.030  -4.422  -99.200  -91.000
       TRP 96     1.040   -26.456 -18.999 -12.730  -99.200  -91.000
      TRP6 96     1.020   -25.645 -20.562 -14.320  -99.200  -91.000
       PHE 99     1.000   -20.805 -21.245 -15.897  -99.200  -91.000
       HIS 105     0.900   -11.114 -13.943 -16.134  -99.200  -91.000
       TYR 108     0.840   -12.187 -17.967 -22.355  -99.200  -91.000
       TRP 109     1.040    -6.076 -17.861 -16.006  -99.200  -91.000
      TRP6 109     1.020    -5.877 -18.814 -13.844  -99.200  -91.000
       PHE 112     1.000    -7.495 -14.415 -23.901  -99.200  -91.000
       TYR 117     0.840     3.950 -23.521 -18.224  -99.200  -91.000
       TYR 139     0.840   -18.520 -20.360 -22.966  -99.200  -91.000
       HIS 145     0.900   -29.743 -21.498 -15.557  -99.200  -91.000
       HIS 148     0.900   -35.955 -25.762 -20.776  -99.200  -91.000
       HIS 149     0.900   -33.913 -21.384 -15.839  -99.200  -91.000
       TRP 151     1.040   -32.803 -11.706 -18.722  -99.200  -91.000
      TRP6 151     1.020   -31.258 -10.806 -20.290  -99.200  -91.000
       TYR 163     0.840   -16.765 -12.353 -14.973  -99.200  -91.000
       TYR 165     0.840   -21.629  -9.263 -24.712  -99.200  -91.000
       TRP 170     1.040   -12.607 -12.308 -22.934  -99.200  -91.000
      TRP6 170     1.020   -12.614 -12.915 -20.657  -99.200  -91.000
       PHE 187     1.000   -26.365 -14.137 -22.084  -99.200  -91.000
       PHE 188     1.000   -21.973 -12.504 -28.678  -99.200  -91.000