=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 42 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900    -0.779  44.004 -16.720  -99.200  -91.000
       HIS  4     0.900    -4.684  37.813 -17.302  -99.200  -91.000
       HIS  5     0.900     0.992  38.431 -12.045  -99.200  -91.000
       HIS  6     0.900    -1.099  31.481 -14.066  -99.200  -91.000
       HIS  7     0.900     2.735  32.831  -4.608  -99.200  -91.000
       HIS  8     0.900    -4.428  33.440  -3.206  -99.200  -91.000
       PHE 12     1.000    -6.333  28.064  -2.664  -99.200  -91.000
       TYR 20     0.840     1.238   9.942 -15.944  -99.200  -91.000
       TRP 21     1.040    -3.940   5.146 -20.139  -99.200  -91.000
      TRP6 21     1.020    -3.456   5.255 -22.451  -99.200  -91.000
       PHE 32     1.000     2.642  14.167 -18.103  -99.200  -91.000
       PHE 35     1.000     2.859  18.473 -15.280  -99.200  -91.000
       HIS 66     0.900    -7.954  11.731 -21.878  -99.200  -91.000
       HIS 87     0.900   -18.279  -0.123 -19.539  -99.200  -91.000
       PHE 89     1.000   -10.787   8.281 -18.659  -99.200  -91.000
       TYR 92     0.840   -12.468   7.001 -11.074  -99.200  -91.000
       HIS 96     0.900   -15.372   8.396  -8.210  -99.200  -91.000
       TYR 118     0.840   -10.948  20.160 -41.678  -99.200  -91.000
       TYR 127     0.840   -21.731  32.478 -31.095  -99.200  -91.000
       PHE 138     1.000   -15.821  21.506 -43.862  -99.200  -91.000
       PHE 160     1.000   -10.224  20.766 -59.781  -99.200  -91.000
       PHE 162     1.000   -10.218  18.790 -54.588  -99.200  -91.000
       HIS 170     0.900    -3.493  10.319 -33.151  -99.200  -91.000
       HIS 175     0.900    -1.049  12.320 -39.127  -99.200  -91.000
       PHE 181     1.000    -1.679  20.730 -57.741  -99.200  -91.000
       PHE 197     1.000    -2.048  24.465 -51.080  -99.200  -91.000
       HIS 200     0.900     0.199  27.644 -46.253  -99.200  -91.000
       TYR 205     0.840     2.520  32.035 -38.852  -99.200  -91.000
       PHE 208     1.000     2.522  22.963 -30.586  -99.200  -91.000
       TYR 214     0.840    -1.831  32.366 -27.802  -99.200  -91.000
       PHE 225     1.000     1.782  23.206 -54.657  -99.200  -91.000
       PHE 232     1.000    -1.820  10.667 -54.825  -99.200  -91.000
       PHE 233     1.000     0.792  16.559 -48.358  -99.200  -91.000
       HIS 236     0.900     3.592  11.552 -39.683  -99.200  -91.000
       PHE 257     1.000     5.798  35.665 -45.085  -99.200  -91.000
       PHE 281     1.000    -7.388  23.868 -28.131  -99.200  -91.000
       HIS 294     0.900    -5.396  35.600 -38.238  -99.200  -91.000
       PHE 302     1.000    -1.248  15.905 -23.587  -99.200  -91.000
       TYR 305     0.840     1.089  21.033 -26.060  -99.200  -91.000
       PHE 311     1.000     2.843  20.329 -22.206  -99.200  -91.000
       PHE 312     1.000     7.337  18.940 -18.536  -99.200  -91.000
       HIS 318     0.900    -6.266  24.291 -18.042  -99.200  -91.000