=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 34 rings
        ring        int.           center             anis.    iso.
       TYR  3     0.840    45.762 298.659 172.254  -99.200  -91.000
       PHE  9     1.000    57.009 299.392 177.415  -99.200  -91.000
       HIS 22     0.900    60.076 289.498 173.726  -99.200  -91.000
       PHE 23     1.000    65.620 295.071 180.692  -99.200  -91.000
       HIS 24     0.900    57.719 296.365 181.129  -99.200  -91.000
       HIS 26     0.900    64.991 289.467 183.272  -99.200  -91.000
       PHE 32     1.000    53.554 292.083 188.236  -99.200  -91.000
       TYR 40     0.840    53.578 284.510 202.538  -99.200  -91.000
       HIS 52     0.900    62.944 286.898 220.296  -99.200  -91.000
       TRP 65     1.040    68.591 291.914 205.307  -99.200  -91.000
      TRP6 65     1.020    66.995 291.369 206.953  -99.200  -91.000
       TYR 85     0.840    77.625 299.284 175.747  -99.200  -91.000
       HIS 102     0.900    61.097 324.789 163.101  -99.200  -91.000
       TRP 104     1.040    54.444 325.245 170.702  -99.200  -91.000
      TRP6 104     1.020    54.184 327.533 171.073  -99.200  -91.000
       TYR 105     0.840    56.822 324.686 162.321  -99.200  -91.000
       TRP 106     1.040    57.756 317.541 165.817  -99.200  -91.000
      TRP6 106     1.020    59.823 317.347 166.927  -99.200  -91.000
       TYR 108     0.840    59.220 315.496 160.237  -99.200  -91.000
       TYR 110     0.840    62.332 312.812 153.882  -99.200  -91.000
       TYR 113     0.840    70.087 310.371 147.272  -99.200  -91.000
       PHE 118     1.000    57.831 316.869 154.511  -99.200  -91.000
       TYR 121     0.840    52.498 324.036 161.267  -99.200  -91.000
       HIS 161     0.900    59.965 321.877 170.190  -99.200  -91.000
       TRP 163     1.040    60.770 313.139 165.498  -99.200  -91.000
      TRP6 163     1.020    61.248 310.961 164.700  -99.200  -91.000
       TYR 192     0.840    54.036 301.895 162.141  -99.200  -91.000
       TYR 193     0.840    48.907 308.234 163.804  -99.200  -91.000
       HIS 204     0.900    55.001 318.990 175.981  -99.200  -91.000
       PHE 206     1.000    47.074 320.907 172.214  -99.200  -91.000
       TYR 218     0.840    53.931 302.097 145.850  -99.200  -91.000
       PHE 219     1.000    61.871 308.017 150.543  -99.200  -91.000
       TRP 222     1.040    55.899 311.768 149.786  -99.200  -91.000
      TRP6 222     1.020    57.870 312.247 150.984  -99.200  -91.000