=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 44 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900     7.965  37.239  51.498  -99.200  -91.000
       TYR 12     0.840    13.636   6.205  44.858  -99.200  -91.000
       PHE 17     1.000    11.144  19.826  45.608  -99.200  -91.000
       TYR 32     0.840    14.591  16.556  62.396  -99.200  -91.000
       PHE 44     1.000     9.752  23.877  55.374  -99.200  -91.000
       TYR 53     0.840     6.853  19.905  30.886  -99.200  -91.000
       TYR 71     0.840     9.857   6.934  41.878  -99.200  -91.000
       TRP 72     1.040     9.122   8.662  48.565  -99.200  -91.000
      TRP6 72     1.020    10.415   7.826  50.337  -99.200  -91.000
       HIS 89     0.900    13.579  11.033  22.498  -99.200  -91.000
       TRP 120     1.040     8.228  24.771  30.535  -99.200  -91.000
      TRP6 120     1.020    10.576  24.779  30.300  -99.200  -91.000
       PHE 137     1.000    28.576  16.960  30.953  -99.200  -91.000
       PHE 140     1.000    26.816  23.251  23.096  -99.200  -91.000
       TYR 164     0.840    14.071  19.295  29.398  -99.200  -91.000
       TYR 166     0.840    18.330  27.951  23.076  -99.200  -91.000
       TYR 171     0.840     9.157  30.534  32.034  -99.200  -91.000
       PHE 180     1.000    17.851  24.437  34.129  -99.200  -91.000
       PHE 187     1.000    31.434  20.782  33.291  -99.200  -91.000
       PHE 194     1.000    23.611  25.651  28.208  -99.200  -91.000
       PHE 206     1.000    20.418  29.172  43.098  -99.200  -91.000
       PHE 217     1.000    29.140  11.919  54.743  -99.200  -91.000
       HIS 224     0.900    40.191  16.511  61.163  -99.200  -91.000
       TYR 231     0.840    51.944  14.730  50.405  -99.200  -91.000
       PHE 238     1.000    32.372  -0.172  45.930  -99.200  -91.000
       PHE 246     1.000    23.169   4.997  41.283  -99.200  -91.000
       PHE 260     1.000    34.244  17.942  28.865  -99.200  -91.000
       TYR 272     0.840    48.675  17.777  48.624  -99.200  -91.000
       HIS 276     0.900    41.885  12.078  42.378  -99.200  -91.000
       TYR 277     0.840    38.701   3.470  41.779  -99.200  -91.000
       TYR 283     0.840    21.425  -1.717  39.015  -99.200  -91.000
       PHE 292     1.000    29.561  -0.354  51.617  -99.200  -91.000
       HIS 296     0.900    42.936   3.321  52.619  -99.200  -91.000
       TYR 299     0.840    45.983  11.056  58.146  -99.200  -91.000
       PHE 302     1.000    56.407  16.237  64.835  -99.200  -91.000
       PHE 341     1.000    17.866  38.398  36.311  -99.200  -91.000
       TYR 345     0.840    32.104  29.988  44.733  -99.200  -91.000
       PHE 350     1.000    25.642  23.824  52.693  -99.200  -91.000
       TYR 351     0.840    22.033  24.756  49.525  -99.200  -91.000
       TYR 369     0.840    25.453  26.315  57.329  -99.200  -91.000
       TRP 375     1.040    23.619  35.240  47.778  -99.200  -91.000
      TRP6 375     1.020    21.487  34.251  47.528  -99.200  -91.000
       TRP 382     1.040    28.684  26.007  64.977  -99.200  -91.000
      TRP6 382     1.020    28.331  25.117  62.819  -99.200  -91.000