=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 38 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900    69.791   6.063  95.707  -99.200  -91.000
       HIS  4     0.900    68.174  11.265 101.993  -99.200  -91.000
       HIS  5     0.900    76.348  12.214  96.339  -99.200  -91.000
       HIS  6     0.900    79.531  11.758  99.511  -99.200  -91.000
       HIS  7     0.900    70.695  10.130 104.986  -99.200  -91.000
       HIS  8     0.900    73.633   9.174 107.910  -99.200  -91.000
       TYR 12     0.840    80.634  10.424 109.904  -99.200  -91.000
       PHE 13     1.000    84.149  20.780 111.457  -99.200  -91.000
       PHE 17     1.000    92.632  18.660 128.247  -99.200  -91.000
       PHE 35     1.000    94.525  -6.783 129.888  -99.200  -91.000
       TRP 43     1.040    98.333 -14.679 128.420  -99.200  -91.000
      TRP6 43     1.020    97.134 -14.704 126.396  -99.200  -91.000
       HIS 44     0.900   103.557 -10.578 131.617  -99.200  -91.000
       TYR 50     0.840   110.791  -9.180 110.921  -99.200  -91.000
       TRP 53     1.040   108.461  -1.546 119.976  -99.200  -91.000
      TRP6 53     1.020   108.008   0.588 120.848  -99.200  -91.000
       TYR 56     0.840   109.685  -6.571 130.086  -99.200  -91.000
       HIS 61     0.900   107.010   4.167 123.833  -99.200  -91.000
       TRP 70     1.040   103.534  11.890 127.478  -99.200  -91.000
      TRP6 70     1.020   102.747  12.499 125.337  -99.200  -91.000
       PHE 76     1.000   112.097  23.963 125.137  -99.200  -91.000
       HIS 83     0.900   109.728  33.972 123.191  -99.200  -91.000
       PHE 86     1.000   107.683  20.715 121.721  -99.200  -91.000
       PHE 89     1.000   110.408  12.966 122.147  -99.200  -91.000
       PHE 92     1.000   119.005  13.181 126.195  -99.200  -91.000
       HIS 94     0.900   116.114   7.962 125.979  -99.200  -91.000
       PHE 107     1.000   102.829  -4.444 135.247  -99.200  -91.000
       PHE 110     1.000   102.706   3.730 133.222  -99.200  -91.000
       HIS 137     0.900   106.518  18.451 116.920  -99.200  -91.000
       PHE 140     1.000   104.120  17.031 114.545  -99.200  -91.000
       TRP 152     1.040   100.717  11.964 129.524  -99.200  -91.000
      TRP6 152     1.020   101.100  13.435 131.306  -99.200  -91.000
       HIS 155     0.900   102.582   7.472 124.199  -99.200  -91.000
       HIS 159     0.900   102.371   3.018 122.865  -99.200  -91.000
       TYR 170     0.840    94.433 -17.888 122.779  -99.200  -91.000
       TRP 177     1.040    83.074 -18.130 116.736  -99.200  -91.000
      TRP6 177     1.020    83.132 -20.395 117.441  -99.200  -91.000
       TYR 180     0.840    80.075 -11.825 114.267  -99.200  -91.000