============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 1 0.840 -7.238 3.397 17.486 -99.200 -91.000 HIS 5 0.900 -8.432 3.384 26.610 -99.200 -91.000 TYR 7 0.840 -17.348 8.038 23.225 -99.200 -91.000 HIS 10 0.900 -12.825 14.190 22.394 -99.200 -91.000 PHE 19 1.000 -11.589 12.273 35.951 -99.200 -91.000 HIS 22 0.900 -6.625 20.869 37.900 -99.200 -91.000 PHE 28 1.000 12.875 32.587 47.238 -99.200 -91.000 TYR 32 0.840 25.650 33.373 47.833 -99.200 -91.000 TRP 46 1.040 19.677 33.775 47.845 -99.200 -91.000 TRP6 46 1.020 20.756 31.885 48.748 -99.200 -91.000 PHE 48 1.000 12.927 34.163 54.845 -99.200 -91.000 TYR 58 0.840 11.293 29.264 50.959 -99.200 -91.000 PHE 62 1.000 23.633 26.964 49.692 -99.200 -91.000 TRP 79 1.040 26.683 26.632 53.365 -99.200 -91.000 TRP6 79 1.020 26.186 28.959 53.326 -99.200 -91.000 TYR 97 0.840 8.724 26.795 55.262 -99.200 -91.000 PHE 113 1.000 15.691 23.262 53.915 -99.200 -91.000 PHE 144 1.000 8.967 17.713 44.997 -99.200 -91.000 TYR 146 0.840 2.215 19.604 46.605 -99.200 -91.000 PHE 153 1.000 11.995 21.861 41.917 -99.200 -91.000 HIS 157 0.900 30.713 25.523 39.720 -99.200 -91.000 TYR 162 0.840 35.883 35.993 27.260 -99.200 -91.000 TYR 165 0.840 30.434 29.205 22.206 -99.200 -91.000 HIS 170 0.900 30.867 16.872 26.508 -99.200 -91.000 TYR 172 0.840 21.146 20.461 27.782 -99.200 -91.000 PHE 181 1.000 15.818 12.141 39.224 -99.200 -91.000 PHE 188 1.000 15.253 16.213 29.220 -99.200 -91.000 HIS 190 0.900 10.550 14.401 36.553 -99.200 -91.000 TYR 192 0.840 4.332 22.216 36.726 -99.200 -91.000 TRP 195 1.040 20.018 21.974 34.569 -99.200 -91.000 TRP6 195 1.020 20.108 20.353 32.831 -99.200 -91.000 PHE 196 1.000 18.589 25.732 41.190 -99.200 -91.000 PHE 199 1.000 22.493 26.452 34.097 -99.200 -91.000 TYR 201 0.840 26.405 28.264 28.568 -99.200 -91.000 TYR 207 0.840 37.321 44.688 34.066 -99.200 -91.000 TYR 221 0.840 26.317 46.439 23.184 -99.200 -91.000 PHE 223 1.000 19.703 37.853 27.292 -99.200 -91.000 TYR 225 0.840 27.862 41.612 21.469 -99.200 -91.000 PHE 238 1.000 20.585 24.476 30.063 -99.200 -91.000 PHE 240 1.000 11.059 21.386 22.854 -99.200 -91.000 PHE 241 1.000 15.050 23.018 30.731 -99.200 -91.000 PHE 248 1.000 19.455 38.699 37.258 -99.200 -91.000 TYR 252 0.840 32.848 35.217 37.447 -99.200 -91.000 PHE 254 1.000 29.337 42.064 41.542 -99.200 -91.000 TYR 261 0.840 30.422 43.947 37.851 -99.200 -91.000 HIS 267 0.900 41.895 44.390 35.835 -99.200 -91.000 TRP 272 1.040 23.344 38.941 33.486 -99.200 -91.000 TRP6 272 1.020 23.500 40.178 31.457 -99.200 -91.000 TYR 278 0.840 9.640 28.836 33.013 -99.200 -91.000 HIS 285 0.900 3.861 34.933 39.770 -99.200 -91.000 TYR 287 0.840 16.300 34.878 36.149 -99.200 -91.000 TYR 293 0.840 27.408 43.736 48.823 -99.200 -91.000 TYR 294 0.840 27.451 36.880 53.552 -99.200 -91.000 HIS 297 0.900 29.849 33.268 40.777 -99.200 -91.000 TYR 301 0.840 14.386 36.485 44.417 -99.200 -91.000 TYR 304 0.840 9.940 29.257 38.450 -99.200 -91.000 PHE 320 1.000 -11.379 4.003 30.133 -99.200 -91.000 TYR 324 0.840 -14.189 0.120 26.446 -99.200 -91.000