=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 42 rings
        ring        int.           center             anis.    iso.
       TYR  5     0.840    23.858  11.276  19.888  -99.200  -91.000
       TYR 10     0.840     5.944   4.632   7.826  -99.200  -91.000
       PHE 11     1.000    10.044  -2.159   8.033  -99.200  -91.000
       TYR 17     0.840    13.220   1.521  16.717  -99.200  -91.000
       TYR 21     0.840    28.537   3.804  12.965  -99.200  -91.000
       TRP 28     1.040    24.779   0.990  14.572  -99.200  -91.000
      TRP6 28     1.020    23.629   2.972  14.002  -99.200  -91.000
       TYR 51     0.840    17.632  21.914  20.683  -99.200  -91.000
       TYR 72     0.840    19.549  11.924  24.182  -99.200  -91.000
       TRP 79     1.040    14.467  11.875  23.697  -99.200  -91.000
      TRP6 79     1.020    15.047  13.119  21.766  -99.200  -91.000
       HIS 100     0.900    19.310  32.677  17.775  -99.200  -91.000
       TYR 102     0.840    17.202  31.021  10.903  -99.200  -91.000
       HIS 108     0.900    -1.704  21.368  10.058  -99.200  -91.000
       HIS 112     0.900     2.206  20.050  -0.070  -99.200  -91.000
       HIS 113     0.900     3.359  24.577   6.747  -99.200  -91.000
       TYR 119     0.840    13.784  26.764  20.635  -99.200  -91.000
       TRP 126     1.040     9.752  27.204  17.978  -99.200  -91.000
      TRP6 126     1.020    11.155  26.494  16.211  -99.200  -91.000
       HIS 127     0.900    10.331  35.568  18.525  -99.200  -91.000
       TYR 149     0.840    23.166  28.812   0.523  -99.200  -91.000
       PHE 154     1.000     4.884  17.295  -4.302  -99.200  -91.000
       TYR 166     0.840    16.268  34.426   6.272  -99.200  -91.000
       TYR 167     0.840    22.491  39.594   4.085  -99.200  -91.000
       TRP 173     1.040    13.572  32.967   2.574  -99.200  -91.000
      TRP6 173     1.020    14.817  30.963   2.786  -99.200  -91.000
       HIS 192     0.900    36.361  19.231   3.568  -99.200  -91.000
       TYR 196     0.840    29.613  17.690  -0.876  -99.200  -91.000
       TYR 201     0.840     9.937   9.951  -6.702  -99.200  -91.000
       TYR 213     0.840    25.472  27.186  -5.320  -99.200  -91.000
       TRP 220     1.040    23.416  23.623  -7.711  -99.200  -91.000
      TRP6 220     1.020    23.185  22.607  -5.585  -99.200  -91.000
       PHE 222     1.000    25.148  15.507 -11.533  -99.200  -91.000
       HIS 228     0.900    23.175   0.018  -1.571  -99.200  -91.000
       HIS 238     0.900    32.165  11.304  13.438  -99.200  -91.000
       TYR 243     0.840    29.898   8.870   8.613  -99.200  -91.000
       TYR 248     0.840     9.756   3.687  -0.508  -99.200  -91.000
       HIS 251     0.900    11.425  -1.366  -6.468  -99.200  -91.000
       PHE 253     1.000     9.856   1.591   4.107  -99.200  -91.000
       TYR 260     0.840    31.977  12.364  -1.283  -99.200  -91.000
       TRP 267     1.040    29.157   8.588  -2.138  -99.200  -91.000
      TRP6 267     1.020    27.903   9.443  -0.313  -99.200  -91.000