============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 6 1.000 38.335 33.468 129.123 -99.200 -91.000 PHE 14 1.000 31.907 33.166 149.074 -99.200 -91.000 PHE 34 1.000 17.757 44.322 151.265 -99.200 -91.000 HIS 37 0.900 12.875 54.435 141.581 -99.200 -91.000 TYR 38 0.840 19.059 50.227 142.453 -99.200 -91.000 TYR 41 0.840 23.113 54.721 131.503 -99.200 -91.000 TRP 46 1.040 22.050 56.207 136.172 -99.200 -91.000 TRP6 46 1.020 21.444 53.924 136.246 -99.200 -91.000 TRP 84 1.040 17.952 52.251 115.322 -99.200 -91.000 TRP6 84 1.020 19.251 50.938 113.831 -99.200 -91.000 PHE 87 1.000 24.950 50.499 113.800 -99.200 -91.000 TRP 90 1.040 29.453 50.736 119.965 -99.200 -91.000 TRP6 90 1.020 31.151 51.149 121.571 -99.200 -91.000 TRP 93 1.040 33.838 54.467 119.333 -99.200 -91.000 TRP6 93 1.020 34.593 54.388 121.574 -99.200 -91.000 TYR 122 0.840 20.544 40.058 151.606 -99.200 -91.000 TRP 128 1.040 26.809 33.178 151.325 -99.200 -91.000 TRP6 128 1.020 28.461 33.567 152.983 -99.200 -91.000 PHE 141 1.000 28.614 34.791 128.978 -99.200 -91.000 TYR 144 0.840 35.555 33.364 124.484 -99.200 -91.000 TYR 145 0.840 30.684 36.994 124.404 -99.200 -91.000 TYR 152 0.840 34.107 37.223 114.518 -99.200 -91.000 TYR 154 0.840 39.132 47.550 106.765 -99.200 -91.000 TYR 162 0.840 39.496 38.231 88.305 -99.200 -91.000 PHE 170 1.000 34.421 46.194 104.729 -99.200 -91.000 TYR 171 0.840 33.017 38.819 109.198 -99.200 -91.000 TRP 183 1.040 13.085 34.268 136.669 -99.200 -91.000 TRP6 183 1.020 13.780 32.397 137.957 -99.200 -91.000 PHE 185 1.000 22.697 30.741 135.818 -99.200 -91.000 PHE 190 1.000 20.820 43.059 132.219 -99.200 -91.000 PHE 220 1.000 22.395 48.777 131.266 -99.200 -91.000 PHE 223 1.000 27.006 46.930 130.934 -99.200 -91.000 HIS 224 0.900 27.063 56.944 134.038 -99.200 -91.000 PHE 228 1.000 30.327 49.705 127.368 -99.200 -91.000 PHE 235 1.000 18.253 48.620 134.216 -99.200 -91.000 TYR 246 0.840 6.514 49.934 121.197 -99.200 -91.000 HIS 250 0.900 9.904 50.297 116.755 -99.200 -91.000 PHE 255 1.000 21.175 43.200 117.826 -99.200 -91.000 PHE 258 1.000 13.343 34.852 125.254 -99.200 -91.000 TYR 269 0.840 13.200 31.454 115.072 -99.200 -91.000 TRP 281 1.040 15.706 45.305 110.135 -99.200 -91.000 TRP6 281 1.020 16.282 47.566 110.530 -99.200 -91.000 PHE 282 1.000 14.128 39.208 104.405 -99.200 -91.000 TYR 286 0.840 21.172 35.379 116.498 -99.200 -91.000 PHE 303 1.000 26.652 1.885 140.597 -99.200 -91.000 TYR 315 0.840 17.431 17.883 144.106 -99.200 -91.000 PHE 317 1.000 18.815 30.394 141.345 -99.200 -91.000 TYR 335 0.840 15.285 2.344 139.881 -99.200 -91.000 TYR 375 0.840 5.004 21.438 135.448 -99.200 -91.000 TYR 397 0.840 7.856 33.488 147.337 -99.200 -91.000 PHE 398 1.000 12.731 29.676 152.765 -99.200 -91.000 PHE 404 1.000 6.941 13.625 141.849 -99.200 -91.000 PHE 419 1.000 14.264 27.568 135.092 -99.200 -91.000 PHE 431 1.000 25.015 4.569 127.263 -99.200 -91.000 TYR 443 0.840 12.338 21.805 126.424 -99.200 -91.000 TYR 450 0.840 28.222 11.249 136.883 -99.200 -91.000 HIS 456 0.900 27.595 1.235 127.626 -99.200 -91.000 TRP 459 1.040 25.513 4.429 121.186 -99.200 -91.000 TRP6 459 1.020 24.678 2.478 122.244 -99.200 -91.000 PHE 464 1.000 22.315 12.494 126.649 -99.200 -91.000 HIS 465 0.900 20.715 16.180 118.051 -99.200 -91.000 TYR 470 0.840 28.529 19.733 130.580 -99.200 -91.000 PHE 471 1.000 30.533 11.693 127.418 -99.200 -91.000 PHE 485 1.000 24.335 26.496 128.298 -99.200 -91.000 PHE 488 1.000 22.689 19.976 119.129 -99.200 -91.000 TYR 502 0.840 26.508 35.193 121.948 -99.200 -91.000 PHE 506 1.000 24.450 38.897 118.571 -99.200 -91.000 PHE 516 1.000 43.871 48.428 92.607 -99.200 -91.000