============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 6 0.840 20.351 -34.135 22.393 -99.200 -91.000 HIS 33 0.900 16.740 -44.941 20.538 -99.200 -91.000 HIS 39 0.900 21.269 -53.949 12.254 -99.200 -91.000 TYR 40 0.840 15.955 -47.285 13.213 -99.200 -91.000 TYR 53 0.840 23.048 -68.724 4.063 -99.200 -91.000 PHE 56 1.000 22.548 -66.687 13.761 -99.200 -91.000 PHE 70 1.000 17.274 -70.888 1.032 -99.200 -91.000 TRP 76 1.040 14.110 -64.971 2.140 -99.200 -91.000 TRP6 76 1.020 13.776 -67.016 3.263 -99.200 -91.000 PHE 84 1.000 4.097 -66.618 17.374 -99.200 -91.000 HIS 97 0.900 -4.070 -46.377 25.200 -99.200 -91.000 TYR 103 0.840 3.913 -44.768 12.534 -99.200 -91.000 PHE 106 1.000 0.859 -55.391 14.963 -99.200 -91.000 TYR 113 0.840 -1.316 -77.100 15.992 -99.200 -91.000 PHE 115 1.000 6.491 -83.735 22.189 -99.200 -91.000 TYR 121 0.840 -2.446 -84.747 20.852 -99.200 -91.000 PHE 139 1.000 -17.364 -88.842 33.868 -99.200 -91.000 PHE 147 1.000 -8.810 -72.793 36.289 -99.200 -91.000 TRP 150 1.040 -12.716 -68.643 40.667 -99.200 -91.000 TRP6 150 1.020 -10.366 -68.784 40.440 -99.200 -91.000 TYR 154 0.840 -11.104 -62.903 41.450 -99.200 -91.000 HIS 162 0.900 -12.812 -62.454 45.454 -99.200 -91.000 TYR 176 0.840 -3.558 -75.667 38.581 -99.200 -91.000 TYR 177 0.840 -7.160 -80.660 47.418 -99.200 -91.000 PHE 179 1.000 -12.288 -73.738 40.532 -99.200 -91.000 PHE 188 1.000 -4.866 -77.162 27.848 -99.200 -91.000 HIS 191 0.900 4.498 -76.382 31.765 -99.200 -91.000 TRP 196 1.040 3.110 -69.842 35.397 -99.200 -91.000 TRP6 196 1.020 4.310 -67.929 36.086 -99.200 -91.000 TYR 201 0.840 2.040 -73.177 37.569 -99.200 -91.000 PHE 210 1.000 -8.142 -64.694 38.068 -99.200 -91.000 TYR 216 0.840 -4.163 -69.294 25.763 -99.200 -91.000 TYR 223 0.840 -8.107 -59.351 16.947 -99.200 -91.000 TYR 228 0.840 0.630 -66.860 21.205 -99.200 -91.000 TYR 230 0.840 5.655 -62.624 13.254 -99.200 -91.000 TYR 233 0.840 6.078 -56.076 4.691 -99.200 -91.000 PHE 242 1.000 6.103 -48.768 19.914 -99.200 -91.000 TYR 249 0.840 4.111 -37.069 19.197 -99.200 -91.000 TYR 253 0.840 15.503 -42.573 16.799 -99.200 -91.000 TYR 264 0.840 30.659 -43.092 33.701 -99.200 -91.000 PHE 271 1.000 24.842 -40.673 30.336 -99.200 -91.000 PHE 281 1.000 25.975 -35.535 20.196 -99.200 -91.000 TYR 292 0.840 24.834 -49.290 23.138 -99.200 -91.000 PHE 293 1.000 26.297 -47.570 30.100 -99.200 -91.000 HIS 313 0.900 8.481 -79.428 5.094 -99.200 -91.000 TYR 340 0.840 7.737 -71.549 24.989 -99.200 -91.000 HIS 348 0.900 1.700 -63.795 10.013 -99.200 -91.000 HIS 355 0.900 11.849 -71.408 0.670 -99.200 -91.000 TYR 356 0.840 4.997 -73.029 5.708 -99.200 -91.000 HIS 370 0.900 24.288 -77.294 18.005 -99.200 -91.000 PHE 377 1.000 17.037 -78.954 15.585 -99.200 -91.000 PHE 387 1.000 20.490 -69.879 8.274 -99.200 -91.000 PHE 394 1.000 25.123 -61.031 29.748 -99.200 -91.000 TYR 406 0.840 17.422 -44.497 35.352 -99.200 -91.000 TYR 411 0.840 14.767 -57.539 23.547 -99.200 -91.000 HIS 416 0.900 3.494 -64.034 26.178 -99.200 -91.000 PHE 417 1.000 8.557 -58.536 21.703 -99.200 -91.000 TYR 428 0.840 7.228 -43.526 31.648 -99.200 -91.000 PHE 429 1.000 7.898 -46.731 40.096 -99.200 -91.000 HIS 434 0.900 5.476 -40.444 35.908 -99.200 -91.000