============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. HIS 2 0.900 -44.837 -4.285 -35.236 -99.200 -91.000 TYR 16 0.840 -45.410 -1.042 -22.743 -99.200 -91.000 PHE 20 1.000 -43.096 -6.761 -20.741 -99.200 -91.000 HIS 25 0.900 -32.191 -5.306 -14.287 -99.200 -91.000 PHE 56 1.000 -37.426 -26.919 -32.039 -99.200 -91.000 TRP 66 1.040 -26.217 -29.037 -39.997 -99.200 -91.000 TRP6 66 1.020 -25.066 -28.264 -41.888 -99.200 -91.000 PHE 77 1.000 -5.806 -33.625 -38.500 -99.200 -91.000 PHE 79 1.000 -11.404 -30.988 -47.696 -99.200 -91.000 PHE 94 1.000 -7.546 -15.058 -37.611 -99.200 -91.000 TYR 106 0.840 -4.202 -31.109 -34.555 -99.200 -91.000 PHE 112 1.000 -2.658 -35.505 -33.595 -99.200 -91.000 PHE 120 1.000 -18.763 -28.301 -33.785 -99.200 -91.000 TYR 124 0.840 -30.505 -25.120 -39.905 -99.200 -91.000 TRP 135 1.040 -36.968 -23.513 -40.958 -99.200 -91.000 TRP6 135 1.020 -36.670 -21.531 -39.737 -99.200 -91.000 PHE 147 1.000 -26.230 -14.395 -28.003 -99.200 -91.000 PHE 157 1.000 -38.615 -10.481 -21.577 -99.200 -91.000 HIS 158 0.900 -40.046 -14.266 -26.008 -99.200 -91.000 HIS 160 0.900 -43.485 -10.702 -16.788 -99.200 -91.000 TYR 164 0.840 -48.090 -6.909 -18.148 -99.200 -91.000 TRP 181 1.040 -47.207 -16.071 -28.431 -99.200 -91.000 TRP6 181 1.020 -46.242 -14.796 -26.711 -99.200 -91.000 TRP 183 1.040 -55.383 -17.848 -23.536 -99.200 -91.000 TRP6 183 1.020 -54.929 -15.917 -24.807 -99.200 -91.000 TRP 210 1.040 -6.886 -34.043 -20.121 -99.200 -91.000 TRP6 210 1.020 -6.110 -33.966 -17.911 -99.200 -91.000 PHE 216 1.000 -4.637 -34.692 -12.793 -99.200 -91.000 TRP 223 1.040 4.142 -33.029 -10.641 -99.200 -91.000 TRP6 223 1.020 4.498 -32.208 -12.826 -99.200 -91.000 PHE 226 1.000 9.212 -37.822 -12.760 -99.200 -91.000 TYR 254 0.840 -18.864 -15.127 -14.551 -99.200 -91.000 HIS 264 0.900 -22.047 -31.022 -14.872 -99.200 -91.000 PHE 268 1.000 -16.066 -20.728 -13.520 -99.200 -91.000 PHE 270 1.000 -13.729 -16.735 -16.329 -99.200 -91.000 HIS 277 0.900 5.157 -14.783 -23.273 -99.200 -91.000 HIS 283 0.900 5.412 -28.425 -16.370 -99.200 -91.000 HIS 298 0.900 -2.358 -24.023 -8.923 -99.200 -91.000 TYR 299 0.840 -5.255 -22.777 -11.428 -99.200 -91.000 TYR 305 0.840 -16.220 -22.560 -23.539 -99.200 -91.000 PHE 306 1.000 -8.764 -21.802 -27.535 -99.200 -91.000 TYR 310 0.840 -14.775 -14.327 -31.567 -99.200 -91.000 PHE 315 1.000 -4.912 -15.592 -32.389 -99.200 -91.000 TRP 321 1.040 -0.335 -15.268 -33.848 -99.200 -91.000 TRP6 321 1.020 -2.037 -16.475 -34.950 -99.200 -91.000 TYR 340 0.840 -14.047 -30.433 -33.548 -99.200 -91.000 HIS 341 0.900 -10.347 -20.669 -35.238 -99.200 -91.000 PHE 345 1.000 -10.572 -19.464 -41.183 -99.200 -91.000 PHE 364 1.000 -22.501 -36.221 -43.663 -99.200 -91.000 HIS 377 0.900 -32.274 -28.513 -43.645 -99.200 -91.000 PHE 378 1.000 -25.370 -28.055 -47.867 -99.200 -91.000 TYR 382 0.840 -22.872 -22.796 -58.048 -99.200 -91.000 TYR 414 0.840 -12.654 -12.596 -55.544 -99.200 -91.000 PHE 422 1.000 -32.276 -16.688 -46.395 -99.200 -91.000 HIS 423 0.900 -41.528 -14.383 -42.945 -99.200 -91.000 PHE 449 1.000 -26.400 -22.720 -28.932 -99.200 -91.000 PHE 470 1.000 -20.222 -35.551 -25.274 -99.200 -91.000 PHE 473 1.000 -31.764 -29.781 -29.726 -99.200 -91.000 TYR 476 0.840 -34.576 -22.550 -29.181 -99.200 -91.000