============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. PHE 24 1.000 53.458 46.346 53.009 -99.200 -91.000 HIS 28 0.900 49.380 49.994 53.758 -99.200 -91.000 TYR 42 0.840 36.145 21.359 44.586 -99.200 -91.000 TYR 53 0.840 60.711 32.237 45.956 -99.200 -91.000 PHE 66 1.000 67.053 35.852 37.379 -99.200 -91.000 TYR 69 0.840 69.805 44.989 39.034 -99.200 -91.000 PHE 93 1.000 73.720 31.849 46.865 -99.200 -91.000 TRP 94 1.040 77.293 39.588 46.012 -99.200 -91.000 TRP6 94 1.020 79.107 38.992 47.397 -99.200 -91.000 TRP 109 1.040 85.226 35.452 50.001 -99.200 -91.000 TRP6 109 1.020 82.977 34.912 50.512 -99.200 -91.000 TRP 114 1.040 79.469 28.374 46.640 -99.200 -91.000 TRP6 114 1.020 78.249 29.179 44.790 -99.200 -91.000 HIS 123 0.900 76.846 9.109 54.882 -99.200 -91.000 PHE 131 1.000 71.440 5.399 44.933 -99.200 -91.000 HIS 136 0.900 64.649 9.955 36.234 -99.200 -91.000 PHE 154 1.000 68.152 25.456 61.467 -99.200 -91.000 TYR 158 0.840 64.997 23.685 66.380 -99.200 -91.000 HIS 163 0.900 66.337 34.590 70.291 -99.200 -91.000 TYR 167 0.840 65.507 29.317 64.434 -99.200 -91.000 TRP 168 1.040 70.547 35.578 59.960 -99.200 -91.000 TRP6 168 1.020 72.581 35.903 58.823 -99.200 -91.000 TYR 172 0.840 76.247 32.486 54.401 -99.200 -91.000 TYR 190 0.840 76.868 12.734 32.022 -99.200 -91.000 TYR 194 0.840 73.465 8.751 31.716 -99.200 -91.000 TRP 209 1.040 78.918 25.524 41.906 -99.200 -91.000 TRP6 209 1.020 76.757 25.798 41.030 -99.200 -91.000 HIS 211 0.900 87.207 25.439 33.777 -99.200 -91.000 PHE 213 1.000 77.572 19.861 36.958 -99.200 -91.000 TYR 219 0.840 80.088 16.652 28.455 -99.200 -91.000 PHE 224 1.000 78.632 20.744 28.399 -99.200 -91.000 TYR 231 0.840 70.578 24.317 32.051 -99.200 -91.000 HIS 235 0.900 67.494 26.589 32.443 -99.200 -91.000 HIS 238 0.900 59.434 32.128 35.861 -99.200 -91.000 HIS 246 0.900 53.622 25.992 47.594 -99.200 -91.000 HIS 249 0.900 58.158 29.915 51.301 -99.200 -91.000 TYR 259 0.840 73.062 19.411 53.392 -99.200 -91.000 PHE 262 1.000 68.295 21.312 45.699 -99.200 -91.000 HIS 274 0.900 58.612 22.444 38.484 -99.200 -91.000 TRP 284 1.040 56.376 18.443 18.356 -99.200 -91.000 TRP6 284 1.020 57.064 20.455 17.340 -99.200 -91.000 TYR 304 0.840 54.907 18.168 11.403 -99.200 -91.000 TRP 306 1.040 48.030 26.909 9.378 -99.200 -91.000 TRP6 306 1.020 46.324 27.380 10.952 -99.200 -91.000 TYR 318 0.840 57.357 28.396 19.585 -99.200 -91.000 HIS 320 0.900 53.830 32.652 30.505 -99.200 -91.000 TYR 330 0.840 63.449 30.695 21.709 -99.200 -91.000 PHE 336 1.000 76.565 29.159 23.911 -99.200 -91.000 HIS 340 0.900 79.827 30.711 21.131 -99.200 -91.000 HIS 343 0.900 77.002 27.824 9.501 -99.200 -91.000 PHE 347 1.000 70.361 28.103 16.117 -99.200 -91.000 TYR 354 0.840 62.049 33.642 17.793 -99.200 -91.000 TRP 371 1.040 54.791 36.229 21.884 -99.200 -91.000 TRP6 371 1.020 54.974 36.613 19.561 -99.200 -91.000 HIS 377 0.900 67.466 28.104 21.178 -99.200 -91.000 TYR 384 0.840 77.202 21.982 18.198 -99.200 -91.000 TYR 385 0.840 78.533 22.992 22.959 -99.200 -91.000 TYR 392 0.840 73.029 14.351 34.499 -99.200 -91.000 TYR 393 0.840 68.928 16.773 28.020 -99.200 -91.000 PHE 397 1.000 64.077 23.439 35.807 -99.200 -91.000 TRP 411 1.040 67.286 37.404 51.979 -99.200 -91.000 TRP6 411 1.020 67.268 39.367 53.300 -99.200 -91.000 PHE 417 1.000 58.836 35.218 54.953 -99.200 -91.000