============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 9 0.900 16.491 -1.209 28.727 -99.200 -91.000 HIS 13 0.900 10.571 4.326 18.758 -99.200 -91.000 PHE 16 1.000 19.659 -0.553 10.610 -99.200 -91.000 PHE 18 1.000 26.191 -2.649 11.334 -99.200 -91.000 TYR 21 0.840 32.349 -9.117 16.362 -99.200 -91.000 TRP 34 1.040 30.824 -1.262 10.064 -99.200 -91.000 TRP6 34 1.020 30.676 -1.159 12.424 -99.200 -91.000 TRP 47 1.040 18.550 -3.413 21.405 -99.200 -91.000 TRP6 47 1.020 19.775 -3.254 23.421 -99.200 -91.000 HIS 54 0.900 25.700 -3.743 19.763 -99.200 -91.000 TRP 55 1.040 21.194 1.263 24.192 -99.200 -91.000 TRP6 55 1.020 19.055 1.818 23.353 -99.200 -91.000 TYR 67 0.840 34.082 6.633 21.913 -99.200 -91.000 TYR 70 0.840 35.524 10.820 32.760 -99.200 -91.000 HIS 72 0.900 25.709 10.155 32.876 -99.200 -91.000 PHE 73 1.000 27.137 7.259 27.216 -99.200 -91.000 PHE 79 1.000 37.405 -5.161 22.358 -99.200 -91.000 TYR 88 0.840 39.496 -4.414 26.320 -99.200 -91.000 PHE 90 1.000 43.994 -6.547 26.078 -99.200 -91.000 PHE 103 1.000 47.860 1.367 35.995 -99.200 -91.000 PHE 142 1.000 49.936 -3.176 0.552 -99.200 -91.000 TYR 146 0.840 54.813 -1.869 2.814 -99.200 -91.000 PHE 150 1.000 56.428 0.376 7.143 -99.200 -91.000 PHE 155 1.000 54.053 -3.833 19.244 -99.200 -91.000 HIS 168 0.900 51.402 -18.024 19.944 -99.200 -91.000 TYR 171 0.840 44.785 -18.047 15.044 -99.200 -91.000 PHE 185 1.000 38.841 -9.938 24.655 -99.200 -91.000 TYR 193 0.840 46.168 -10.393 29.768 -99.200 -91.000 TYR 195 0.840 54.893 -13.967 23.277 -99.200 -91.000 PHE 248 1.000 44.390 4.219 7.013 -99.200 -91.000 PHE 251 1.000 39.859 -1.343 5.259 -99.200 -91.000 PHE 255 1.000 41.104 6.199 -3.167 -99.200 -91.000 HIS 262 0.900 41.756 10.125 -5.815 -99.200 -91.000 PHE 284 1.000 39.485 4.048 1.771 -99.200 -91.000 TYR 297 0.840 23.007 10.296 30.418 -99.200 -91.000 PHE 299 1.000 24.029 10.264 24.459 -99.200 -91.000 HIS 300 0.900 21.872 13.398 21.730 -99.200 -91.000 HIS 329 0.900 35.214 12.859 -4.290 -99.200 -91.000 PHE 332 1.000 44.490 11.788 -1.771 -99.200 -91.000 HIS 339 0.900 40.221 11.620 11.712 -99.200 -91.000 PHE 342 1.000 44.904 7.874 14.294 -99.200 -91.000 HIS 344 0.900 35.891 13.407 20.891 -99.200 -91.000 HIS 347 0.900 40.173 5.066 27.713 -99.200 -91.000 HIS 353 0.900 51.078 11.928 17.635 -99.200 -91.000 TRP 366 1.040 53.453 0.820 -3.459 -99.200 -91.000 TRP6 366 1.020 53.841 -1.384 -2.688 -99.200 -91.000 PHE 373 1.000 49.883 0.877 -6.580 -99.200 -91.000 HIS 383 0.900 36.821 -3.796 2.080 -99.200 -91.000 TRP 398 1.040 55.067 -3.824 -9.756 -99.200 -91.000 TRP6 398 1.020 54.361 -4.785 -7.710 -99.200 -91.000