============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 7 0.840 -7.700 45.962 -50.262 -99.200 -91.000 HIS 8 0.900 -2.042 54.328 -52.489 -99.200 -91.000 TRP 34 1.040 -3.021 64.809 -54.894 -99.200 -91.000 TRP6 34 1.020 -4.411 66.723 -55.081 -99.200 -91.000 PHE 36 1.000 1.035 55.998 -55.847 -99.200 -91.000 TRP 43 1.040 -1.337 61.055 -43.175 -99.200 -91.000 TRP6 43 1.020 -2.286 60.338 -41.136 -99.200 -91.000 HIS 44 0.900 -6.092 64.088 -47.085 -99.200 -91.000 TRP 47 1.040 -10.040 54.954 -50.885 -99.200 -91.000 TRP6 47 1.020 -11.984 56.292 -50.658 -99.200 -91.000 PHE 59 1.000 -15.624 43.637 -51.491 -99.200 -91.000 PHE 65 1.000 -7.958 62.824 -42.215 -99.200 -91.000 TYR 69 0.840 -19.078 54.163 -45.327 -99.200 -91.000 TYR 73 0.840 -25.166 64.375 -56.571 -99.200 -91.000 TRP 86 1.040 -23.936 61.767 -49.135 -99.200 -91.000 TRP6 86 1.020 -24.114 63.445 -50.803 -99.200 -91.000 PHE 91 1.000 -21.135 45.324 -42.189 -99.200 -91.000 HIS 96 0.900 -27.804 56.605 -54.677 -99.200 -91.000 TRP 99 1.040 -18.799 51.782 -54.443 -99.200 -91.000 TRP6 99 1.020 -19.024 53.026 -56.456 -99.200 -91.000 TYR 110 0.840 -9.298 43.238 -57.428 -99.200 -91.000 TYR 115 0.840 -25.951 45.258 -55.802 -99.200 -91.000 PHE 120 1.000 -17.737 48.310 -65.063 -99.200 -91.000 TRP 137 1.040 -17.347 57.109 -69.357 -99.200 -91.000 TRP6 137 1.020 -16.859 59.427 -69.185 -99.200 -91.000 TRP 141 1.040 -18.277 43.257 -64.722 -99.200 -91.000 TRP6 141 1.020 -16.999 43.897 -62.828 -99.200 -91.000 HIS 147 0.900 -9.062 56.564 -70.047 -99.200 -91.000 TRP 150 1.040 -9.963 52.082 -60.850 -99.200 -91.000 TRP6 150 1.020 -8.951 54.204 -60.520 -99.200 -91.000 TYR 151 0.840 -2.171 47.392 -61.260 -99.200 -91.000 PHE 152 1.000 -9.670 47.816 -55.141 -99.200 -91.000 HIS 171 0.900 15.993 35.223 -34.351 -99.200 -91.000 HIS 173 0.900 11.429 29.197 -24.960 -99.200 -91.000 TYR 176 0.840 4.334 33.035 -29.881 -99.200 -91.000 TYR 179 0.840 -2.011 34.671 -24.630 -99.200 -91.000 TYR 185 0.840 -4.084 43.531 -35.796 -99.200 -91.000 PHE 193 1.000 6.193 50.305 -34.646 -99.200 -91.000 TRP 197 1.040 10.562 55.041 -29.471 -99.200 -91.000 TRP6 197 1.020 12.611 56.169 -29.900 -99.200 -91.000 TRP 207 1.040 15.832 49.341 -17.964 -99.200 -91.000 TRP6 207 1.020 16.748 48.557 -15.916 -99.200 -91.000 TYR 212 0.840 8.447 53.960 -17.960 -99.200 -91.000 PHE 216 1.000 11.982 52.566 -21.551 -99.200 -91.000 TRP 227 1.040 -0.406 58.022 -35.205 -99.200 -91.000 TRP6 227 1.020 -0.938 56.456 -36.911 -99.200 -91.000 TRP 232 1.040 -5.741 56.114 -39.105 -99.200 -91.000 TRP6 232 1.020 -5.169 56.866 -41.285 -99.200 -91.000 PHE 237 1.000 -8.666 51.399 -39.166 -99.200 -91.000 PHE 240 1.000 1.304 43.556 -36.051 -99.200 -91.000 HIS 255 0.900 14.800 43.728 -23.761 -99.200 -91.000 TYR 257 0.840 11.382 41.199 -27.638 -99.200 -91.000 PHE 259 1.000 4.989 41.160 -32.776 -99.200 -91.000 HIS 265 0.900 1.181 43.978 -45.679 -99.200 -91.000 PHE 270 1.000 12.056 39.805 -33.251 -99.200 -91.000 PHE 271 1.000 10.426 50.684 -32.060 -99.200 -91.000 TYR 278 0.840 11.996 50.209 -36.834 -99.200 -91.000 TYR 284 0.840 16.822 39.267 -24.658 -99.200 -91.000 TYR 287 0.840 8.573 34.663 -21.842 -99.200 -91.000 PHE 290 1.000 0.518 42.547 -24.763 -99.200 -91.000 TYR 291 0.840 -0.423 38.985 -32.756 -99.200 -91.000