============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. PHE 7 1.000 12.548 -37.047 -19.905 -99.200 -91.000 TYR 13 0.840 15.574 -27.380 -16.602 -99.200 -91.000 PHE 14 1.000 17.840 -34.757 -11.192 -99.200 -91.000 TRP 27 1.040 18.357 -19.493 4.986 -99.200 -91.000 TRP6 27 1.020 17.675 -17.592 6.172 -99.200 -91.000 PHE 28 1.000 19.361 -28.364 10.681 -99.200 -91.000 HIS 29 0.900 24.915 -26.305 8.926 -99.200 -91.000 PHE 34 1.000 20.469 -14.111 14.907 -99.200 -91.000 TRP 52 1.040 16.461 -35.709 -5.298 -99.200 -91.000 TRP6 52 1.020 15.660 -37.540 -4.072 -99.200 -91.000 PHE 55 1.000 13.348 -31.009 -11.529 -99.200 -91.000 TYR 59 0.840 18.309 -39.127 -15.640 -99.200 -91.000 TYR 61 0.840 7.843 -41.503 -18.944 -99.200 -91.000 TYR 65 0.840 8.315 -46.027 -20.394 -99.200 -91.000 TYR 66 0.840 11.316 -41.007 -24.091 -99.200 -91.000 PHE 67 1.000 19.892 -47.234 -21.264 -99.200 -91.000 TYR 74 0.840 27.928 -43.724 -18.547 -99.200 -91.000 HIS 75 0.900 28.527 -44.757 -23.427 -99.200 -91.000 PHE 80 1.000 31.917 -37.165 -17.556 -99.200 -91.000 PHE 82 1.000 25.918 -30.408 -17.475 -99.200 -91.000 TYR 98 0.840 21.178 -37.282 10.822 -99.200 -91.000 TRP 100 1.040 11.747 -32.807 9.686 -99.200 -91.000 TRP6 100 1.020 11.993 -31.845 7.560 -99.200 -91.000 TRP 110 1.040 25.753 -45.258 4.156 -99.200 -91.000 TRP6 110 1.020 28.116 -45.189 4.019 -99.200 -91.000 PHE 119 1.000 28.526 -40.295 -13.713 -99.200 -91.000 TRP 128 1.040 42.552 -40.218 -16.189 -99.200 -91.000 TRP6 128 1.020 43.495 -41.195 -14.294 -99.200 -91.000 PHE 133 1.000 38.440 -33.812 -21.645 -99.200 -91.000 HIS 139 0.900 32.296 -27.409 -22.184 -99.200 -91.000 PHE 142 1.000 36.876 -33.589 -15.094 -99.200 -91.000 TYR 143 0.840 35.927 -27.019 -11.451 -99.200 -91.000 PHE 151 1.000 35.467 -30.388 -2.230 -99.200 -91.000 TYR 162 0.840 29.657 -44.072 9.163 -99.200 -91.000 HIS 163 0.900 32.763 -36.654 12.400 -99.200 -91.000 TYR 167 0.840 38.991 -34.637 8.185 -99.200 -91.000 PHE 169 1.000 33.811 -40.899 -0.349 -99.200 -91.000 PHE 170 1.000 38.253 -31.209 2.506 -99.200 -91.000 TRP 177 1.040 39.347 -26.432 -6.957 -99.200 -91.000 TRP6 177 1.020 39.719 -25.422 -4.860 -99.200 -91.000 PHE 180 1.000 38.735 -29.817 -15.271 -99.200 -91.000 HIS 187 0.900 39.215 -25.015 -23.523 -99.200 -91.000 PHE 197 1.000 28.532 -25.860 -24.977 -99.200 -91.000 PHE 209 1.000 32.883 -18.828 -1.773 -99.200 -91.000 TYR 215 0.840 39.040 -27.951 6.939 -99.200 -91.000 HIS 220 0.900 33.207 -32.012 15.159 -99.200 -91.000 TRP 231 1.040 34.596 -18.058 3.146 -99.200 -91.000 TRP6 231 1.020 33.687 -16.383 4.516 -99.200 -91.000 TYR 233 0.840 41.338 -19.650 -6.413 -99.200 -91.000 PHE 235 1.000 34.067 -13.925 0.060 -99.200 -91.000 PHE 239 1.000 35.657 -9.662 -4.604 -99.200 -91.000 PHE 240 1.000 39.889 -12.923 -10.916 -99.200 -91.000 PHE 245 1.000 25.271 -12.391 -14.292 -99.200 -91.000 TRP 247 1.040 32.137 -13.267 -22.491 -99.200 -91.000 TRP6 247 1.020 32.668 -15.219 -21.296 -99.200 -91.000 TRP 258 1.040 17.970 -22.374 -11.107 -99.200 -91.000 TRP6 258 1.020 17.670 -22.349 -8.768 -99.200 -91.000 PHE 260 1.000 27.102 -17.509 -11.920 -99.200 -91.000 PHE 274 1.000 35.236 -18.342 7.148 -99.200 -91.000 TYR 275 0.840 27.442 -13.426 12.874 -99.200 -91.000 HIS 276 0.900 29.534 -20.917 16.488 -99.200 -91.000 PHE 286 1.000 28.939 -9.231 -0.134 -99.200 -91.000 PHE 288 1.000 22.570 -16.629 5.573 -99.200 -91.000 PHE 290 1.000 26.517 -11.687 -4.247 -99.200 -91.000 TYR 304 0.840 8.895 -13.802 -16.998 -99.200 -91.000 PHE 311 1.000 11.683 -25.629 -14.868 -99.200 -91.000 PHE 312 1.000 9.086 -29.334 -16.343 -99.200 -91.000