=============================================================================
          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.
       TYR  1     0.840    79.262   1.975  60.806  -99.200  -91.000
       TRP 14     1.040    66.263  22.073  66.620  -99.200  -91.000
      TRP6 14     1.020    64.538  21.517  65.110  -99.200  -91.000
       TYR 16     0.840    63.400  18.320  76.044  -99.200  -91.000
       TYR 21     0.840    69.699  13.096  68.777  -99.200  -91.000
       TYR 33     0.840    76.982  22.385  80.096  -99.200  -91.000
       PHE 43     1.000    68.124  15.934  76.150  -99.200  -91.000
       TYR 47     0.840    64.720  13.245  74.453  -99.200  -91.000
       HIS 74     0.900    74.667  28.068  66.497  -99.200  -91.000
       HIS 87     0.900    84.311  13.011  64.529  -99.200  -91.000
       TYR 89     0.840    72.660  18.693  63.606  -99.200  -91.000
       HIS 100     0.900    80.327  35.112  66.966  -99.200  -91.000
       PHE 115     1.000    80.084  22.974  60.825  -99.200  -91.000
       HIS 119     0.900    71.607  25.295  56.823  -99.200  -91.000
       PHE 147     1.000    59.732  28.534  56.978  -99.200  -91.000
       TRP 160     1.040    65.001  35.178  71.051  -99.200  -91.000
      TRP6 160     1.020    65.613  34.350  68.930  -99.200  -91.000
       HIS 178     0.900    64.684  26.412  58.178  -99.200  -91.000
       PHE 185     1.000    69.087  20.033  47.335  -99.200  -91.000
       PHE 194     1.000    66.711  46.360  46.022  -99.200  -91.000
       PHE 196     1.000    62.479  47.913  47.486  -99.200  -91.000
       TYR 200     0.840    50.579  45.618  58.959  -99.200  -91.000
       PHE 215     1.000    70.044  31.452  42.742  -99.200  -91.000
       TYR 222     0.840    59.239  36.859  46.382  -99.200  -91.000
       TRP 227     1.040    59.005  36.096  62.100  -99.200  -91.000
      TRP6 227     1.020    60.844  36.908  63.303  -99.200  -91.000
       PHE 233     1.000    59.266  25.623  53.543  -99.200  -91.000
       TYR 238     0.840    57.165  30.393  38.248  -99.200  -91.000
       PHE 245     1.000    52.594  26.297  40.010  -99.200  -91.000
       TYR 246     0.840    57.351  21.491  49.129  -99.200  -91.000
       PHE 250     1.000    58.176  25.305  60.218  -99.200  -91.000
       TRP 252     1.040    51.115  17.936  60.375  -99.200  -91.000
      TRP6 252     1.020    50.746  15.882  61.472  -99.200  -91.000
       TRP 253     1.040    60.964  21.646  60.693  -99.200  -91.000
      TRP6 253     1.020    61.625  22.250  58.518  -99.200  -91.000
       HIS 262     0.900    50.926  15.729  57.652  -99.200  -91.000
       PHE 270     1.000    52.333  24.533  27.245  -99.200  -91.000
       PHE 280     1.000    56.795  14.323  47.905  -99.200  -91.000
       HIS 285     0.900    62.313  17.459  58.548  -99.200  -91.000
       HIS 325     0.900    70.822  48.234  57.507  -99.200  -91.000