=============================================================================
          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.
       TYR  6     0.840     3.245 -32.843 -11.088  -99.200  -91.000
       HIS 25     0.900     3.579 -61.676 -18.196  -99.200  -91.000
       PHE 48     1.000     9.155 -30.518 -13.686  -99.200  -91.000
       HIS 52     0.900    10.601 -27.013 -13.640  -99.200  -91.000
       PHE 54     1.000     4.142 -27.973 -10.516  -99.200  -91.000
       PHE 57     1.000     4.280 -37.368  -7.880  -99.200  -91.000
       HIS 62     0.900    -1.094 -49.913 -10.281  -99.200  -91.000
       PHE 66     1.000    -0.602 -56.856  -9.698  -99.200  -91.000
       HIS 69     0.900    -2.045 -61.074  -5.626  -99.200  -91.000
       PHE 72     1.000     5.739 -57.630  -3.872  -99.200  -91.000
       TYR 74     0.840    10.408 -58.227  -4.272  -99.200  -91.000
       TRP 76     1.040     6.049 -54.318   0.110  -99.200  -91.000
      TRP6 76     1.020     6.134 -52.097   0.939  -99.200  -91.000
       TYR 80     0.840    11.860 -52.165  -3.690  -99.200  -91.000
       PHE 94     1.000    14.820 -31.727  -3.746  -99.200  -91.000
       HIS 101     0.900    -8.055 -40.771  -4.409  -99.200  -91.000
       TYR 105     0.840   -12.882 -52.982  -8.886  -99.200  -91.000
       TYR 125     0.840     1.663 -50.377  -1.637  -99.200  -91.000
       HIS 143     0.900   -13.259 -40.878  -4.269  -99.200  -91.000
       TYR 148     0.840   -20.595 -52.692  -1.714  -99.200  -91.000
       PHE 158     1.000   -14.960 -45.705   4.800  -99.200  -91.000
       TYR 171     0.840     1.131 -41.819   7.223  -99.200  -91.000
       TRP 181     1.040   -20.420 -42.188   0.250  -99.200  -91.000
      TRP6 181     1.020   -21.848 -42.686   2.061  -99.200  -91.000
       HIS 203     0.900   -14.906 -36.350  -6.929  -99.200  -91.000
       HIS 204     0.900   -19.642 -28.603  -2.732  -99.200  -91.000
       PHE 221     1.000    -9.515 -25.141   3.626  -99.200  -91.000
       TRP 224     1.040    -7.548 -30.849   6.366  -99.200  -91.000
      TRP6 224     1.020    -6.303 -32.545   5.289  -99.200  -91.000
       HIS 231     0.900    -7.886 -34.796  -4.156  -99.200  -91.000
       HIS 244     0.900   -10.251 -35.867 -12.630  -99.200  -91.000
       PHE 246     1.000    -3.674 -31.890 -21.639  -99.200  -91.000
       TRP 253     1.040    -6.385 -22.914 -11.504  -99.200  -91.000
      TRP6 253     1.020    -5.252 -23.286  -9.443  -99.200  -91.000