============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 71 rings ring int. center anis. iso. HIS 10 0.900 -24.609 -29.688 27.904 -99.200 -91.000 PHE 17 1.000 -22.022 -32.636 5.156 -99.200 -91.000 PHE 23 1.000 -20.400 -46.808 0.386 -99.200 -91.000 PHE 30 1.000 -21.157 -33.360 13.418 -99.200 -91.000 PHE 35 1.000 -17.888 -38.509 27.615 -99.200 -91.000 PHE 45 1.000 -7.450 -39.879 41.886 -99.200 -91.000 TRP 54 1.040 -20.805 -25.192 22.681 -99.200 -91.000 TRP6 54 1.020 -20.845 -27.412 23.491 -99.200 -91.000 PHE 56 1.000 -20.395 -16.427 20.711 -99.200 -91.000 TYR 63 0.840 -8.848 -37.541 14.295 -99.200 -91.000 PHE 81 1.000 -5.725 -53.777 19.053 -99.200 -91.000 TYR 98 0.840 -12.683 -33.437 24.770 -99.200 -91.000 TYR 102 0.840 -16.185 -41.378 12.836 -99.200 -91.000 TRP 118 1.040 -14.570 -49.066 19.469 -99.200 -91.000 TRP6 118 1.020 -14.709 -51.421 19.275 -99.200 -91.000 HIS 120 0.900 -10.186 -46.776 24.487 -99.200 -91.000 TYR 132 0.840 -10.356 -48.630 18.014 -99.200 -91.000 HIS 140 0.900 -18.764 -50.048 3.114 -99.200 -91.000 TYR 150 0.840 -12.498 -46.419 28.584 -99.200 -91.000 TRP 155 1.040 -4.850 -39.153 35.631 -99.200 -91.000 TRP6 155 1.020 -2.922 -40.326 34.908 -99.200 -91.000 PHE 157 1.000 -10.984 -48.086 35.180 -99.200 -91.000 PHE 158 1.000 -5.949 -44.233 44.467 -99.200 -91.000 HIS 164 0.900 -12.785 -40.873 52.920 -99.200 -91.000 TRP 169 1.040 -12.474 -42.764 40.083 -99.200 -91.000 TRP6 169 1.020 -14.269 -42.284 41.550 -99.200 -91.000 HIS 171 0.900 -15.716 -50.041 34.023 -99.200 -91.000 TRP 180 1.040 -23.411 -35.481 24.826 -99.200 -91.000 TRP6 180 1.020 -23.463 -35.996 22.515 -99.200 -91.000 PHE 188 1.000 -24.502 -34.847 16.678 -99.200 -91.000 PHE 198 1.000 -19.288 -51.321 17.926 -99.200 -91.000 PHE 220 1.000 -26.623 -51.572 27.708 -99.200 -91.000 HIS 221 0.900 -32.257 -49.007 23.455 -99.200 -91.000 HIS 264 0.900 -5.740 -32.864 50.448 -99.200 -91.000 PHE 283 1.000 -0.093 -49.909 37.212 -99.200 -91.000 PHE 321 1.000 -28.030 -61.116 33.496 -99.200 -91.000 HIS 322 0.900 -28.871 -52.929 32.417 -99.200 -91.000 TYR 326 0.840 -23.363 -59.679 26.397 -99.200 -91.000 PHE 335 1.000 -1.256 -64.573 26.715 -99.200 -91.000 TRP 337 1.040 3.466 -61.686 17.584 -99.200 -91.000 TRP6 337 1.020 3.043 -59.435 16.988 -99.200 -91.000 TYR 345 0.840 3.222 -63.852 29.259 -99.200 -91.000 TRP 362 1.040 4.281 -69.331 41.108 -99.200 -91.000 TRP6 362 1.020 2.189 -69.157 42.203 -99.200 -91.000 TYR 365 0.840 -2.224 -66.088 41.697 -99.200 -91.000 TYR 382 0.840 -5.744 -76.241 28.166 -99.200 -91.000 PHE 396 1.000 2.387 -70.995 28.905 -99.200 -91.000 PHE 405 1.000 -8.771 -62.509 26.405 -99.200 -91.000 HIS 416 0.900 -27.558 -61.528 28.231 -99.200 -91.000 TYR 424 0.840 -28.087 -64.258 17.827 -99.200 -91.000 TYR 426 0.840 -17.456 -62.865 17.510 -99.200 -91.000 PHE 428 1.000 -11.976 -62.506 12.693 -99.200 -91.000 TYR 430 0.840 -9.006 -63.417 6.848 -99.200 -91.000 PHE 434 1.000 -6.099 -54.438 6.260 -99.200 -91.000 HIS 447 0.900 -7.076 -59.295 22.687 -99.200 -91.000 PHE 452 1.000 -6.430 -54.635 11.640 -99.200 -91.000 PHE 455 1.000 -14.498 -49.973 14.711 -99.200 -91.000 PHE 459 1.000 -14.828 -52.195 2.474 -99.200 -91.000 PHE 478 1.000 -23.201 -62.733 9.907 -99.200 -91.000 TRP 479 1.040 -19.841 -56.569 15.109 -99.200 -91.000 TRP6 479 1.020 -19.467 -58.882 14.760 -99.200 -91.000 PHE 482 1.000 -26.738 -58.355 18.632 -99.200 -91.000 HIS 495 0.900 -29.612 -69.681 10.627 -99.200 -91.000 TRP 496 1.040 -24.165 -65.967 14.836 -99.200 -91.000 TRP6 496 1.020 -22.862 -63.992 14.735 -99.200 -91.000 TYR 499 0.840 -24.139 -70.218 23.656 -99.200 -91.000 TYR 505 0.840 -18.981 -72.257 17.872 -99.200 -91.000 PHE 525 1.000 -8.676 -78.937 33.185 -99.200 -91.000 TRP 526 1.040 -9.648 -74.158 32.024 -99.200 -91.000 TRP6 526 1.020 -7.604 -74.013 33.204 -99.200 -91.000 PHE 530 1.000 -9.800 -71.821 37.883 -99.200 -91.000