============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 73 rings ring int. center anis. iso. PHE 10 1.000 -92.286 35.718 -49.481 -99.200 -91.000 PHE 17 1.000 -90.753 34.531 -57.397 -99.200 -91.000 TYR 30 0.840 -81.761 48.489 -50.862 -99.200 -91.000 PHE 53 1.000 -95.255 38.746 -19.578 -99.200 -91.000 PHE 67 1.000 -91.682 35.019 -21.605 -99.200 -91.000 PHE 70 1.000 -86.127 32.131 -20.051 -99.200 -91.000 HIS 74 0.900 -83.995 28.591 -19.587 -99.200 -91.000 HIS 77 0.900 -89.820 29.142 -16.109 -99.200 -91.000 TRP 84 1.040 -99.405 31.821 -24.015 -99.200 -91.000 TRP6 84 1.020 -97.326 32.952 -24.060 -99.200 -91.000 TYR 90 0.840 -111.280 25.200 -25.691 -99.200 -91.000 TYR 109 0.840 -101.068 21.488 -20.395 -99.200 -91.000 PHE 117 1.000 -100.352 20.074 -10.511 -99.200 -91.000 PHE 120 1.000 -98.173 27.970 -13.511 -99.200 -91.000 PHE 136 1.000 -110.012 25.404 -20.851 -99.200 -91.000 HIS 146 0.900 -95.767 31.051 -13.017 -99.200 -91.000 PHE 152 1.000 -90.566 40.616 -18.475 -99.200 -91.000 PHE 155 1.000 -87.104 37.212 -22.829 -99.200 -91.000 TYR 160 0.840 -83.244 31.952 -25.571 -99.200 -91.000 PHE 161 1.000 -83.840 42.455 -22.403 -99.200 -91.000 PHE 164 1.000 -87.658 42.745 -27.810 -99.200 -91.000 TRP 167 1.040 -84.240 39.465 -34.084 -99.200 -91.000 TRP6 167 1.020 -84.314 39.381 -36.431 -99.200 -91.000 TRP 169 1.040 -78.713 48.917 -33.614 -99.200 -91.000 TRP6 169 1.020 -77.898 48.371 -35.764 -99.200 -91.000 TRP 179 1.040 -84.168 50.109 -47.087 -99.200 -91.000 TRP6 179 1.020 -83.500 48.115 -46.031 -99.200 -91.000 PHE 180 1.000 -90.760 49.715 -48.549 -99.200 -91.000 PHE 183 1.000 -95.146 44.603 -57.937 -99.200 -91.000 PHE 191 1.000 -105.264 65.111 -51.598 -99.200 -91.000 PHE 195 1.000 -97.392 53.997 -58.021 -99.200 -91.000 TYR 206 0.840 -95.320 45.596 -46.690 -99.200 -91.000 TYR 222 0.840 -99.771 70.098 -45.549 -99.200 -91.000 HIS 236 0.900 -101.111 44.490 -36.035 -99.200 -91.000 PHE 239 1.000 -111.955 41.043 -38.815 -99.200 -91.000 TYR 245 0.840 -91.599 49.066 -43.818 -99.200 -91.000 PHE 247 1.000 -91.365 55.106 -48.137 -99.200 -91.000 TYR 267 0.840 -114.640 45.029 -60.607 -99.200 -91.000 HIS 268 0.900 -115.171 41.462 -56.127 -99.200 -91.000 TYR 270 0.840 -123.354 48.303 -58.369 -99.200 -91.000 PHE 279 1.000 -121.278 41.283 -52.834 -99.200 -91.000 PHE 286 1.000 -116.756 35.689 -44.421 -99.200 -91.000 TYR 287 0.840 -117.621 39.998 -48.797 -99.200 -91.000 HIS 297 0.900 -108.717 46.769 -32.948 -99.200 -91.000 HIS 299 0.900 -117.557 52.271 -33.930 -99.200 -91.000 TYR 305 0.840 -114.186 53.712 -42.220 -99.200 -91.000 TYR 342 0.840 -121.940 68.202 -44.760 -99.200 -91.000 PHE 348 1.000 -122.447 54.948 -48.774 -99.200 -91.000 TYR 359 0.840 -120.895 63.497 -36.099 -99.200 -91.000 PHE 361 1.000 -117.827 55.495 -30.441 -99.200 -91.000 TYR 365 0.840 -122.110 50.668 -35.093 -99.200 -91.000 PHE 366 1.000 -128.219 56.484 -42.179 -99.200 -91.000 TYR 373 0.840 -131.671 49.017 -49.539 -99.200 -91.000 PHE 382 1.000 -131.639 57.023 -47.341 -99.200 -91.000 TYR 405 0.840 -135.705 47.788 -45.913 -99.200 -91.000 PHE 409 1.000 -132.798 44.201 -48.743 -99.200 -91.000 PHE 416 1.000 -127.392 44.002 -38.935 -99.200 -91.000 PHE 431 1.000 -118.340 50.523 -28.913 -99.200 -91.000 HIS 442 0.900 -131.000 41.173 -36.619 -99.200 -91.000 PHE 445 1.000 -124.520 39.792 -38.012 -99.200 -91.000 TRP 450 1.040 -120.807 36.435 -34.170 -99.200 -91.000 TRP6 450 1.020 -120.442 38.279 -35.614 -99.200 -91.000 PHE 462 1.000 -115.648 36.023 -55.722 -99.200 -91.000 TYR 470 0.840 -111.627 39.783 -59.092 -99.200 -91.000 PHE 480 1.000 -93.792 71.789 -50.619 -99.200 -91.000 PHE 487 1.000 -98.332 67.209 -42.684 -99.200 -91.000 PHE 488 1.000 -94.524 68.127 -46.847 -99.200 -91.000 PHE 491 1.000 -97.639 60.854 -43.834 -99.200 -91.000 TRP 500 1.040 -88.968 45.569 -39.816 -99.200 -91.000 TRP6 500 1.020 -87.468 44.579 -38.299 -99.200 -91.000 PHE 510 1.000 -87.309 35.129 -35.125 -99.200 -91.000 TRP 516 1.040 -76.102 28.791 -30.364 -99.200 -91.000 TRP6 516 1.020 -75.688 30.788 -29.193 -99.200 -91.000