============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 22 0.900 -8.242 12.722 11.105 -99.200 -91.000 PHE 24 1.000 -1.735 14.062 19.618 -99.200 -91.000 PHE 29 1.000 0.923 17.652 11.748 -99.200 -91.000 PHE 46 1.000 -1.876 15.207 2.266 -99.200 -91.000 TYR 59 0.840 0.448 7.896 20.761 -99.200 -91.000 TRP 71 1.040 0.226 7.452 33.893 -99.200 -91.000 TRP6 71 1.020 0.374 6.321 35.966 -99.200 -91.000 HIS 93 0.900 -6.828 24.600 47.493 -99.200 -91.000 TYR 95 0.840 -8.058 16.812 38.883 -99.200 -91.000 TYR 96 0.840 -11.836 23.259 37.008 -99.200 -91.000 PHE 99 1.000 -4.897 16.077 28.800 -99.200 -91.000 TYR 101 0.840 -1.765 20.116 20.309 -99.200 -91.000 HIS 103 0.900 -12.920 16.320 22.590 -99.200 -91.000 PHE 124 1.000 1.320 23.171 38.425 -99.200 -91.000 TYR 127 0.840 4.111 20.961 27.829 -99.200 -91.000 TYR 130 0.840 7.448 29.608 28.223 -99.200 -91.000 TYR 143 0.840 -4.880 37.111 23.884 -99.200 -91.000 TYR 145 0.840 -12.889 30.421 26.514 -99.200 -91.000 TYR 146 0.840 -11.121 34.152 29.482 -99.200 -91.000 TRP 157 1.040 -8.058 33.140 34.016 -99.200 -91.000 TRP6 157 1.020 -7.566 30.857 33.634 -99.200 -91.000 TRP 163 1.040 6.666 23.060 36.857 -99.200 -91.000 TRP6 163 1.020 6.674 20.757 37.409 -99.200 -91.000 HIS 166 0.900 9.041 21.997 43.448 -99.200 -91.000 HIS 167 0.900 11.921 21.324 47.145 -99.200 -91.000 PHE 173 1.000 12.891 14.243 35.949 -99.200 -91.000 HIS 176 0.900 10.488 7.638 38.873 -99.200 -91.000 HIS 183 0.900 15.192 -2.675 37.943 -99.200 -91.000 PHE 184 1.000 21.634 -0.334 33.034 -99.200 -91.000 PHE 196 1.000 20.094 13.276 32.949 -99.200 -91.000 HIS 199 0.900 9.349 14.460 23.173 -99.200 -91.000 TYR 212 0.840 12.528 21.850 25.456 -99.200 -91.000 TYR 229 0.840 28.170 16.373 39.542 -99.200 -91.000 TYR 233 0.840 25.872 15.051 33.273 -99.200 -91.000 TRP 237 1.040 19.086 18.143 22.516 -99.200 -91.000 TRP6 237 1.020 17.900 19.456 24.084 -99.200 -91.000 TRP 246 1.040 13.730 19.179 13.799 -99.200 -91.000 TRP6 246 1.020 12.025 19.154 15.447 -99.200 -91.000 PHE 273 1.000 4.858 14.912 27.426 -99.200 -91.000 HIS 277 0.900 7.804 10.483 26.440 -99.200 -91.000 TYR 282 0.840 19.841 2.586 17.286 -99.200 -91.000 TYR 288 0.840 17.466 0.881 11.392 -99.200 -91.000 PHE 313 1.000 5.131 15.004 38.709 -99.200 -91.000 HIS 322 0.900 1.431 26.125 50.933 -99.200 -91.000 HIS 324 0.900 1.153 31.018 41.185 -99.200 -91.000 PHE 353 1.000 -5.835 36.389 30.285 -99.200 -91.000 PHE 354 1.000 -1.808 33.837 31.994 -99.200 -91.000