============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 29.203 48.650 179.880 -99.200 -91.000 PHE 19 1.000 16.965 51.797 150.704 -99.200 -91.000 TRP 27 1.040 17.908 40.222 152.687 -99.200 -91.000 TRP6 27 1.020 17.248 42.465 153.075 -99.200 -91.000 HIS 29 0.900 17.252 38.265 143.974 -99.200 -91.000 PHE 36 1.000 9.180 36.128 139.675 -99.200 -91.000 PHE 37 1.000 11.212 36.528 147.249 -99.200 -91.000 HIS 47 0.900 13.462 54.719 139.204 -99.200 -91.000 PHE 58 1.000 21.780 45.539 134.271 -99.200 -91.000 PHE 63 1.000 14.315 41.509 141.422 -99.200 -91.000 HIS 80 0.900 -8.549 40.714 144.287 -99.200 -91.000 PHE 101 1.000 7.729 33.846 149.280 -99.200 -91.000 HIS 126 0.900 -1.456 28.730 139.103 -99.200 -91.000 HIS 129 0.900 5.803 22.542 139.611 -99.200 -91.000 TYR 133 0.840 4.407 30.579 150.876 -99.200 -91.000 TYR 135 0.840 6.792 39.245 151.437 -99.200 -91.000 PHE 144 1.000 17.680 47.809 154.448 -99.200 -91.000 PHE 213 1.000 10.726 31.289 167.813 -99.200 -91.000 PHE 219 1.000 16.108 41.842 159.879 -99.200 -91.000 PHE 239 1.000 18.851 39.866 167.906 -99.200 -91.000 PHE 241 1.000 24.795 41.591 164.401 -99.200 -91.000 TRP 249 1.040 22.213 33.950 168.679 -99.200 -91.000 TRP6 249 1.020 22.450 31.926 167.476 -99.200 -91.000 TYR 257 0.840 18.302 22.413 171.998 -99.200 -91.000 PHE 264 1.000 29.366 28.436 175.464 -99.200 -91.000 HIS 282 0.900 39.609 46.108 162.018 -99.200 -91.000 PHE 292 1.000 22.965 60.793 165.510 -99.200 -91.000 PHE 294 1.000 21.049 60.585 160.970 -99.200 -91.000 PHE 306 1.000 31.530 44.492 167.191 -99.200 -91.000 PHE 322 1.000 8.559 47.175 165.987 -99.200 -91.000 HIS 324 0.900 9.114 42.175 169.649 -99.200 -91.000 HIS 354 0.900 24.996 64.103 162.393 -99.200 -91.000 HIS 377 0.900 28.797 66.307 160.758 -99.200 -91.000 TRP 381 1.040 28.614 52.301 152.652 -99.200 -91.000 TRP6 381 1.020 27.739 50.422 151.512 -99.200 -91.000 PHE 387 1.000 22.432 43.677 150.129 -99.200 -91.000 HIS 391 0.900 24.172 38.218 161.490 -99.200 -91.000 PHE 392 1.000 26.333 32.762 164.417 -99.200 -91.000 TYR 393 0.840 32.572 32.808 168.668 -99.200 -91.000 PHE 403 1.000 30.068 49.842 162.223 -99.200 -91.000