=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 40 rings
        ring        int.           center             anis.    iso.
       TRP  3     1.040   -12.902 -39.128  28.682  -99.200  -91.000
      TRP6  3     1.020   -13.046 -37.384  27.087  -99.200  -91.000
       TYR  6     0.840    -4.853 -35.224  30.154  -99.200  -91.000
       HIS 14     0.900     4.272 -25.003  27.825  -99.200  -91.000
       TYR 18     0.840    21.652 -22.794  28.518  -99.200  -91.000
       TYR 22     0.840    14.870 -17.363  35.609  -99.200  -91.000
       HIS 48     0.900   -11.048 -36.592  41.889  -99.200  -91.000
       PHE 49     1.000    -6.111 -31.425  45.925  -99.200  -91.000
       PHE 54     1.000   -10.339 -25.899  48.808  -99.200  -91.000
       TYR 65     0.840    -1.296 -12.787  57.458  -99.200  -91.000
       HIS 79     0.900   -14.487 -12.055  35.974  -99.200  -91.000
       TYR 81     0.840   -15.817 -18.471  32.207  -99.200  -91.000
       PHE 86     1.000    -8.330 -31.644  22.105  -99.200  -91.000
       TRP 98     1.040     3.540 -17.820  44.967  -99.200  -91.000
      TRP6 98     1.020     2.929 -19.644  43.559  -99.200  -91.000
       TYR 106     0.840     6.924 -12.126  46.078  -99.200  -91.000
       HIS 108     0.900    10.160 -17.127  51.120  -99.200  -91.000
       TYR 113     0.840    11.760  -3.524  47.023  -99.200  -91.000
       PHE 121     1.000    -1.724  -9.028  50.100  -99.200  -91.000
       TYR 134     0.840   -16.535 -16.993  37.091  -99.200  -91.000
       TYR 135     0.840    -9.725 -17.835  37.661  -99.200  -91.000
       PHE 137     1.000    -7.095 -14.353  42.325  -99.200  -91.000
       TYR 145     0.840    10.974  -9.188  44.533  -99.200  -91.000
       TRP 147     1.040    14.108  -9.953  38.906  -99.200  -91.000
      TRP6 147     1.020    14.888 -11.948  37.909  -99.200  -91.000
       TRP 154     1.040    13.533  -2.532  38.871  -99.200  -91.000
      TRP6 154     1.020    12.472  -1.752  40.868  -99.200  -91.000
       HIS 158     0.900     5.463 -11.413  39.603  -99.200  -91.000
       HIS 160     0.900     5.078 -16.071  41.340  -99.200  -91.000
       PHE 161     1.000    -1.525 -19.184  36.300  -99.200  -91.000
       TRP 168     1.040     1.755 -36.062  38.049  -99.200  -91.000
      TRP6 168     1.020     1.310 -34.694  39.933  -99.200  -91.000
       PHE 176     1.000    -3.205 -13.326  37.122  -99.200  -91.000
       TYR 177     0.840     3.864 -11.673  33.684  -99.200  -91.000
       PHE 178     1.000    -2.383  -7.632  37.716  -99.200  -91.000
       PHE 211     1.000   -12.783  -1.450  36.139  -99.200  -91.000
       TYR 219     0.840    -6.548  -5.730  35.771  -99.200  -91.000
       PHE 221     1.000    -4.406 -15.405  33.072  -99.200  -91.000
       TYR 232     0.840   -15.081 -41.701  19.169  -99.200  -91.000
       PHE 233     1.000   -11.829 -46.418  14.894  -99.200  -91.000