=============================================================================
          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   143.887 339.225 166.836  -99.200  -91.000
       PHE  9     1.000   133.315 338.463 172.917  -99.200  -91.000
       HIS 22     0.900   129.355 348.418 169.443  -99.200  -91.000
       PHE 23     1.000   124.961 342.760 177.124  -99.200  -91.000
       HIS 24     0.900   132.983 341.596 176.837  -99.200  -91.000
       HIS 26     0.900   125.967 348.731 179.628  -99.200  -91.000
       PHE 32     1.000   137.819 345.949 183.592  -99.200  -91.000
       TYR 40     0.840   139.458 353.533 197.696  -99.200  -91.000
       HIS 52     0.900   132.181 351.066 216.531  -99.200  -91.000
       TRP 65     1.040   124.701 345.988 202.293  -99.200  -91.000
      TRP6 65     1.020   126.500 346.693 203.659  -99.200  -91.000
       TYR 85     0.840   112.553 338.699 173.752  -99.200  -91.000
       HIS 102     0.900   127.495 313.230 159.332  -99.200  -91.000
       TRP 104     1.040   135.023 312.486 165.957  -99.200  -91.000
      TRP6 104     1.020   135.461 310.201 166.232  -99.200  -91.000
       TYR 105     0.840   131.703 313.172 158.257  -99.200  -91.000
       TRP 106     1.040   131.159 320.466 161.764  -99.200  -91.000
      TRP6 106     1.020   129.260 320.618 163.153  -99.200  -91.000
       TYR 108     0.840   128.910 322.451 156.253  -99.200  -91.000
       TYR 110     0.840   125.116 325.126 150.343  -99.200  -91.000
       TYR 113     0.840   117.706 327.792 144.658  -99.200  -91.000
       PHE 118     1.000   129.816 321.159 150.650  -99.200  -91.000
       TYR 121     0.840   135.863 313.671 156.522  -99.200  -91.000
       HIS 161     0.900   129.295 316.194 166.518  -99.200  -91.000
       TRP 163     1.040   128.116 324.734 161.770  -99.200  -91.000
      TRP6 163     1.020   127.504 326.904 161.039  -99.200  -91.000
       TYR 192     0.840   134.547 336.086 157.606  -99.200  -91.000
       TYR 193     0.840   139.610 329.464 158.757  -99.200  -91.000
       HIS 204     0.900   134.896 318.626 171.266  -99.200  -91.000
       PHE 206     1.000   142.568 316.904 166.759  -99.200  -91.000
       TYR 218     0.840   132.861 335.734 141.223  -99.200  -91.000
       PHE 219     1.000   125.251 329.910 147.046  -99.200  -91.000
       TRP 222     1.040   131.105 326.166 145.539  -99.200  -91.000
      TRP6 222     1.020   129.390 325.548 147.032  -99.200  -91.000