============================================================================= 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 38.037 33.328 129.017 -99.200 -91.000 PHE 14 1.000 31.697 33.023 149.033 -99.200 -91.000 PHE 34 1.000 17.613 44.280 151.280 -99.200 -91.000 HIS 37 0.900 12.809 54.476 141.730 -99.200 -91.000 TYR 38 0.840 18.876 50.196 142.461 -99.200 -91.000 TYR 41 0.840 22.850 54.596 131.473 -99.200 -91.000 TRP 46 1.040 21.808 56.160 136.174 -99.200 -91.000 TRP6 46 1.020 21.217 53.869 136.278 -99.200 -91.000 TRP 84 1.040 17.701 52.138 115.232 -99.200 -91.000 TRP6 84 1.020 18.986 50.808 113.758 -99.200 -91.000 PHE 87 1.000 24.609 50.465 113.727 -99.200 -91.000 TRP 90 1.040 29.146 50.617 119.893 -99.200 -91.000 TRP6 90 1.020 30.849 51.028 121.484 -99.200 -91.000 TRP 93 1.040 33.548 54.378 119.236 -99.200 -91.000 TRP6 93 1.020 34.271 54.282 121.483 -99.200 -91.000 TYR 122 0.840 20.385 39.937 151.613 -99.200 -91.000 TRP 128 1.040 26.617 33.030 151.307 -99.200 -91.000 TRP6 128 1.020 28.301 33.408 152.932 -99.200 -91.000 PHE 141 1.000 28.272 34.661 128.998 -99.200 -91.000 TYR 144 0.840 35.250 33.241 124.425 -99.200 -91.000 TYR 145 0.840 30.374 36.841 124.401 -99.200 -91.000 TYR 152 0.840 33.800 37.065 114.459 -99.200 -91.000 TYR 154 0.840 38.895 47.378 106.821 -99.200 -91.000 TYR 162 0.840 39.252 37.958 88.338 -99.200 -91.000 PHE 170 1.000 34.149 46.006 104.694 -99.200 -91.000 TYR 171 0.840 32.695 38.673 109.168 -99.200 -91.000 TRP 183 1.040 12.905 34.123 136.584 -99.200 -91.000 TRP6 183 1.020 13.555 32.283 137.925 -99.200 -91.000 PHE 185 1.000 22.380 30.627 135.572 -99.200 -91.000 PHE 190 1.000 20.729 42.962 132.311 -99.200 -91.000 PHE 220 1.000 22.133 48.680 131.263 -99.200 -91.000 PHE 223 1.000 26.672 46.849 130.906 -99.200 -91.000 HIS 224 0.900 26.805 56.789 133.967 -99.200 -91.000 PHE 228 1.000 30.033 49.583 127.303 -99.200 -91.000 PHE 235 1.000 17.949 48.509 134.204 -99.200 -91.000 TYR 246 0.840 6.358 49.953 121.098 -99.200 -91.000 HIS 250 0.900 9.731 50.235 116.645 -99.200 -91.000 PHE 255 1.000 20.821 43.028 117.794 -99.200 -91.000 PHE 258 1.000 12.978 34.606 125.224 -99.200 -91.000 TYR 269 0.840 12.849 31.338 114.952 -99.200 -91.000 TRP 281 1.040 15.443 45.200 110.006 -99.200 -91.000 TRP6 281 1.020 16.024 47.475 110.370 -99.200 -91.000 PHE 282 1.000 13.844 39.076 104.359 -99.200 -91.000 TYR 286 0.840 20.846 35.223 116.494 -99.200 -91.000 PHE 303 1.000 26.382 1.738 140.576 -99.200 -91.000 TYR 315 0.840 17.151 17.720 144.078 -99.200 -91.000 PHE 317 1.000 18.561 30.303 141.302 -99.200 -91.000 TYR 335 0.840 14.953 2.309 139.858 -99.200 -91.000 TYR 375 0.840 4.722 21.339 135.463 -99.200 -91.000 TYR 397 0.840 7.669 33.404 147.366 -99.200 -91.000 PHE 398 1.000 12.562 29.489 152.722 -99.200 -91.000 PHE 404 1.000 6.675 13.514 141.920 -99.200 -91.000 PHE 419 1.000 14.001 27.395 134.939 -99.200 -91.000 PHE 431 1.000 24.675 4.424 127.236 -99.200 -91.000 TYR 443 0.840 12.021 21.650 126.324 -99.200 -91.000 TYR 450 0.840 27.869 11.081 136.813 -99.200 -91.000 HIS 456 0.900 27.244 1.165 127.600 -99.200 -91.000 TRP 459 1.040 25.268 4.354 120.851 -99.200 -91.000 TRP6 459 1.020 24.270 2.466 121.876 -99.200 -91.000 PHE 464 1.000 21.955 12.361 126.556 -99.200 -91.000 HIS 465 0.900 20.356 16.083 118.035 -99.200 -91.000 TYR 470 0.840 28.218 19.624 130.529 -99.200 -91.000 PHE 471 1.000 30.134 11.531 127.341 -99.200 -91.000 PHE 485 1.000 24.010 26.437 128.293 -99.200 -91.000 PHE 488 1.000 22.319 19.887 119.090 -99.200 -91.000 TYR 502 0.840 26.179 35.041 121.918 -99.200 -91.000 PHE 506 1.000 24.128 38.743 118.569 -99.200 -91.000 PHE 516 1.000 43.597 48.262 92.637 -99.200 -91.000