============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 4 0.840 33.738 15.826 60.415 -99.200 -91.000 TYR 18 0.840 36.686 22.574 65.178 -99.200 -91.000 PHE 21 1.000 44.817 12.431 63.864 -99.200 -91.000 PHE 26 1.000 40.954 15.248 63.608 -99.200 -91.000 TYR 35 0.840 45.693 29.130 63.795 -99.200 -91.000 PHE 68 1.000 60.505 3.712 66.222 -99.200 -91.000 TRP 73 1.040 54.570 3.071 61.569 -99.200 -91.000 TRP6 73 1.020 53.166 2.876 59.680 -99.200 -91.000 TYR 86 0.840 51.301 0.321 47.416 -99.200 -91.000 HIS 95 0.900 37.868 10.934 51.713 -99.200 -91.000 TYR 111 0.840 38.334 21.603 42.067 -99.200 -91.000 HIS 118 0.900 48.373 23.175 45.196 -99.200 -91.000 PHE 126 1.000 51.222 9.901 52.082 -99.200 -91.000 TYR 128 0.840 59.015 6.671 44.271 -99.200 -91.000 PHE 129 1.000 59.085 8.506 48.933 -99.200 -91.000 TRP 132 1.040 61.499 3.608 47.079 -99.200 -91.000 TRP6 132 1.020 63.299 2.211 46.384 -99.200 -91.000 TRP 169 1.040 53.626 30.389 53.601 -99.200 -91.000 TRP6 169 1.020 53.658 31.404 51.464 -99.200 -91.000 TYR 171 0.840 53.299 23.843 45.234 -99.200 -91.000 TRP 178 1.040 56.454 16.528 47.360 -99.200 -91.000 TRP6 178 1.020 57.901 18.212 46.545 -99.200 -91.000 PHE 205 1.000 48.118 12.821 55.646 -99.200 -91.000 HIS 236 0.900 59.931 16.011 73.294 -99.200 -91.000 PHE 244 1.000 62.519 24.910 58.002 -99.200 -91.000 HIS 253 0.900 66.064 29.723 66.175 -99.200 -91.000 PHE 279 1.000 72.672 29.383 26.099 -99.200 -91.000 PHE 296 1.000 54.175 35.287 35.204 -99.200 -91.000 PHE 297 1.000 52.604 24.749 38.659 -99.200 -91.000 PHE 310 1.000 71.061 35.361 34.433 -99.200 -91.000 HIS 316 0.900 65.613 41.543 26.680 -99.200 -91.000 PHE 319 1.000 61.338 35.036 27.231 -99.200 -91.000 HIS 342 0.900 48.142 35.353 39.243 -99.200 -91.000 HIS 347 0.900 50.880 34.171 54.135 -99.200 -91.000 HIS 350 0.900 54.425 35.749 49.489 -99.200 -91.000 TYR 357 0.840 61.277 40.842 44.972 -99.200 -91.000 PHE 380 1.000 44.357 38.875 51.981 -99.200 -91.000 PHE 381 1.000 42.325 37.275 43.741 -99.200 -91.000 PHE 382 1.000 52.322 41.686 43.288 -99.200 -91.000 PHE 387 1.000 60.349 44.807 38.595 -99.200 -91.000 HIS 393 0.900 73.514 47.187 40.391 -99.200 -91.000 TYR 395 0.840 65.579 43.160 47.954 -99.200 -91.000 PHE 402 1.000 57.591 30.653 48.013 -99.200 -91.000 PHE 411 1.000 72.613 34.554 27.457 -99.200 -91.000 PHE 428 1.000 68.878 32.116 48.335 -99.200 -91.000 PHE 435 1.000 63.239 27.101 28.783 -99.200 -91.000 TYR 444 0.840 80.617 24.392 29.319 -99.200 -91.000 PHE 455 1.000 63.144 21.621 36.521 -99.200 -91.000 TYR 459 0.840 62.190 26.256 35.904 -99.200 -91.000 PHE 468 1.000 62.657 20.341 45.299 -99.200 -91.000 PHE 471 1.000 73.790 20.686 44.354 -99.200 -91.000 PHE 476 1.000 71.999 20.252 55.653 -99.200 -91.000 TYR 488 0.840 62.152 11.488 56.682 -99.200 -91.000 PHE 496 1.000 76.544 -12.063 62.740 -99.200 -91.000 TYR 498 0.840 81.483 -17.237 60.260 -99.200 -91.000