=============================================================================
          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.
       TYR 11     0.840    23.487  12.538  81.457  -99.200  -91.000
       PHE 14     1.000    21.559  16.156  85.969  -99.200  -91.000
       PHE 19     1.000    13.057  11.323  86.447  -99.200  -91.000
       HIS 64     0.900    18.387  17.740  69.181  -99.200  -91.000
       PHE 68     1.000    16.299  10.717  61.900  -99.200  -91.000
       TYR 84     0.840    23.467   5.850  61.498  -99.200  -91.000
       HIS 90     0.900    37.868   6.485  62.626  -99.200  -91.000
       TYR 95     0.840    23.542   7.846  77.856  -99.200  -91.000
       HIS 98     0.900    15.140  14.707  71.917  -99.200  -91.000
       TRP 111     1.040    20.956  23.912  83.641  -99.200  -91.000
      TRP6 111     1.020    21.612  22.228  82.104  -99.200  -91.000
       PHE 112     1.000    16.998  26.892  77.534  -99.200  -91.000
       TYR 122     0.840     4.994  19.409  86.170  -99.200  -91.000
       PHE 143     1.000     6.465  40.191  72.610  -99.200  -91.000
       TRP 144     1.040    12.030  47.023  72.331  -99.200  -91.000
      TRP6 144     1.020    12.469  46.531  70.062  -99.200  -91.000
       PHE 154     1.000    18.597  31.959  75.873  -99.200  -91.000
       HIS 162     0.900     5.141  41.947  67.349  -99.200  -91.000
       TYR 163     0.840    -1.616  38.392  64.074  -99.200  -91.000
       PHE 185     1.000     5.247  20.035  75.158  -99.200  -91.000
       TYR 186     0.840    -0.977  27.297  71.301  -99.200  -91.000
       TYR 197     0.840     5.486  27.816  74.825  -99.200  -91.000
       TYR 203     0.840     5.379  23.093  62.508  -99.200  -91.000
       TYR 204     0.840     2.136  32.265  58.165  -99.200  -91.000
       HIS 205     0.900    -3.264  27.324  61.113  -99.200  -91.000
       HIS 221     0.900    15.559  22.443  67.525  -99.200  -91.000
       TYR 222     0.840    23.853  25.744  67.444  -99.200  -91.000
       PHE 227     1.000    23.045  17.761  76.071  -99.200  -91.000
       TRP 238     1.040    29.164  14.997  88.827  -99.200  -91.000
      TRP6 238     1.020    27.581  14.048  87.353  -99.200  -91.000
       TRP 244     1.040    34.658   9.936  87.771  -99.200  -91.000
      TRP6 244     1.020    32.842  10.751  86.493  -99.200  -91.000
       PHE 258     1.000    17.965  26.606  59.688  -99.200  -91.000
       HIS 259     0.900    25.393  29.650  59.581  -99.200  -91.000
       HIS 260     0.900    18.062  34.142  60.793  -99.200  -91.000