=============================================================================
          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 19     0.840    38.331 177.213  60.044  -99.200  -91.000
       PHE 30     1.000    31.688 193.521  57.812  -99.200  -91.000
       HIS 61     0.900    45.130 152.199  50.827  -99.200  -91.000
       TYR 62     0.840    49.956 154.756  53.085  -99.200  -91.000
       TYR 63     0.840    47.368 146.290  59.543  -99.200  -91.000
       HIS 64     0.900    43.697 145.419  52.616  -99.200  -91.000
       HIS 67     0.900    48.257 141.534  58.046  -99.200  -91.000
       PHE 71     1.000    53.674 147.981  50.676  -99.200  -91.000
       HIS 105     0.900    49.918 181.418  63.433  -99.200  -91.000
       PHE 107     1.000    39.322 182.124  64.892  -99.200  -91.000
       HIS 114     0.900    38.670 181.214  71.050  -99.200  -91.000
       TYR 118     0.840    25.781 176.061  74.860  -99.200  -91.000
       PHE 155     1.000    18.113 152.282  66.463  -99.200  -91.000
       TRP 197     1.040    37.331 150.806  63.876  -99.200  -91.000
      TRP6 197     1.020    39.276 150.914  65.163  -99.200  -91.000
       PHE 209     1.000    13.553 151.171  56.755  -99.200  -91.000
       HIS 212     0.900    21.111 153.718  48.594  -99.200  -91.000
       PHE 226     1.000    31.648 152.276  48.312  -99.200  -91.000
       PHE 235     1.000    31.894 147.582  55.748  -99.200  -91.000
       PHE 237     1.000    28.132 146.846  52.964  -99.200  -91.000
       PHE 283     1.000    24.074 171.937  69.794  -99.200  -91.000
       PHE 308     1.000    23.596 181.095  52.602  -99.200  -91.000
       TYR 316     0.840    23.375 187.850  57.612  -99.200  -91.000
       HIS 329     0.900    32.498 169.709  50.053  -99.200  -91.000
       HIS 348     0.900    24.884 182.246  41.409  -99.200  -91.000
       TYR 351     0.840    23.230 174.988  48.460  -99.200  -91.000
       TYR 359     0.840    37.608 161.909  51.360  -99.200  -91.000
       HIS 361     0.900    42.434 151.764  47.304  -99.200  -91.000
       TRP 366     1.040    27.802 161.965  44.290  -99.200  -91.000
      TRP6 366     1.020    28.217 160.480  46.061  -99.200  -91.000
       TYR 381     0.840    20.075 159.874  31.659  -99.200  -91.000
       PHE 386     1.000    38.551 154.595  29.789  -99.200  -91.000
       PHE 388     1.000    39.240 154.979  37.549  -99.200  -91.000
       HIS 419     0.900    27.214 160.124  39.783  -99.200  -91.000
       TYR 438     0.840    34.652 178.339  33.666  -99.200  -91.000
       HIS 450     0.900    41.890 165.731  31.285  -99.200  -91.000
       HIS 452     0.900    49.476 158.254  28.551  -99.200  -91.000
       PHE 459     1.000    36.021 164.463  34.542  -99.200  -91.000
       PHE 468     1.000    33.360 159.736  17.433  -99.200  -91.000
       PHE 474     1.000    35.763 149.396  28.016  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================