=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 35 rings
        ring        int.           center             anis.    iso.
       HIS  2     0.900    25.887  -0.100  14.578  -99.200  -91.000
       TYR  9     0.840    38.404   9.953   0.445  -99.200  -91.000
       TYR 11     0.840    37.412  15.608   6.681  -99.200  -91.000
       HIS 20     0.900    38.415  21.138   4.174  -99.200  -91.000
       HIS 26     0.900    27.898  13.670   2.216  -99.200  -91.000
       HIS 27     0.900    34.188  11.578   8.305  -99.200  -91.000
       HIS 30     0.900    24.579  16.699   6.239  -99.200  -91.000
       HIS 31     0.900    28.889   7.899   8.035  -99.200  -91.000
       TYR 34     0.840    22.009  10.380   7.985  -99.200  -91.000
       HIS 46     0.900    19.687  -5.730  22.595  -99.200  -91.000
       PHE 66     1.000    16.523  10.091   7.758  -99.200  -91.000
       HIS 71     0.900    27.379   3.427  10.308  -99.200  -91.000
       HIS 74     0.900    25.677   9.441   4.149  -99.200  -91.000
       PHE 77     1.000    29.193   9.381  -1.830  -99.200  -91.000
       TRP 78     1.040    32.209   8.327   4.281  -99.200  -91.000
      TRP6 78     1.020    31.345  10.341   3.372  -99.200  -91.000
       PHE 100     1.000    24.532  -1.639 -16.730  -99.200  -91.000
       TRP 122     1.040    22.032   7.602  -0.758  -99.200  -91.000
      TRP6 122     1.020    24.396   7.621  -0.576  -99.200  -91.000
       TRP 124     1.040    22.726   2.767  -3.899  -99.200  -91.000
      TRP6 124     1.020    24.811   2.740  -2.767  -99.200  -91.000
       TYR 127     0.840    26.496 -10.106  -8.707  -99.200  -91.000
       PHE 155     1.000    30.429   5.174  -8.215  -99.200  -91.000
       TRP 160     1.040    19.866  12.259   1.050  -99.200  -91.000
      TRP6 160     1.020    18.793  12.980   3.020  -99.200  -91.000
       HIS 162     0.900    23.610  15.376   2.715  -99.200  -91.000
       TYR 164     0.840    23.280  18.204  -5.545  -99.200  -91.000
       TYR 165     0.840    21.803  24.180  -3.425  -99.200  -91.000
       TYR 168     0.840    29.413  19.943  -8.563  -99.200  -91.000
       TYR 175     0.840    27.389  15.018  -6.559  -99.200  -91.000
       TRP 180     1.040    29.870   8.778 -13.571  -99.200  -91.000
      TRP6 180     1.020    29.691   6.483 -12.988  -99.200  -91.000
       TRP 185     1.040    35.966   3.062 -12.185  -99.200  -91.000
      TRP6 185     1.020    33.838   2.060 -12.444  -99.200  -91.000
       PHE 192     1.000    31.524  -8.270 -10.771  -99.200  -91.000