============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TRP 15 1.040 -30.151 26.058 -43.607 -99.200 -91.000 TRP6 15 1.020 -29.843 27.529 -41.781 -99.200 -91.000 TYR 18 0.840 -18.182 28.124 -39.796 -99.200 -91.000 PHE 33 1.000 -10.407 15.154 -23.833 -99.200 -91.000 PHE 39 1.000 -21.946 24.574 -25.849 -99.200 -91.000 HIS 44 0.900 -14.214 40.467 -29.994 -99.200 -91.000 PHE 50 1.000 -17.220 26.951 -25.499 -99.200 -91.000 PHE 51 1.000 -14.608 18.939 -26.209 -99.200 -91.000 HIS 62 0.900 -9.619 4.607 -17.332 -99.200 -91.000 TYR 73 0.840 -15.110 9.973 -12.448 -99.200 -91.000 TYR 88 0.840 -2.182 14.594 -26.844 -99.200 -91.000 PHE 92 1.000 -11.491 22.622 -16.414 -99.200 -91.000 TRP 97 1.040 -23.544 16.667 -13.317 -99.200 -91.000 TRP6 97 1.020 -25.725 17.630 -13.269 -99.200 -91.000 HIS 103 0.900 -16.300 36.966 -26.422 -99.200 -91.000 TRP 108 1.040 -14.723 32.767 -25.011 -99.200 -91.000 TRP6 108 1.020 -16.481 31.925 -26.360 -99.200 -91.000 TYR 126 0.840 -17.056 38.385 -18.593 -99.200 -91.000 TRP 137 1.040 -35.892 26.468 -8.942 -99.200 -91.000 TRP6 137 1.020 -34.444 26.614 -10.811 -99.200 -91.000 PHE 157 1.000 -30.570 38.596 -21.671 -99.200 -91.000 TYR 171 0.840 -40.452 24.286 -17.288 -99.200 -91.000 TYR 192 0.840 -46.366 26.515 -22.549 -99.200 -91.000 HIS 193 0.900 -40.300 18.633 -19.465 -99.200 -91.000 TYR 194 0.840 -40.482 26.309 -22.189 -99.200 -91.000 TYR 200 0.840 -33.016 32.668 -32.784 -99.200 -91.000 TRP 214 1.040 -45.546 15.928 -18.873 -99.200 -91.000 TRP6 214 1.020 -46.401 17.948 -18.021 -99.200 -91.000 HIS 215 0.900 -47.604 17.543 -21.585 -99.200 -91.000 TRP 221 1.040 -42.804 29.568 -29.414 -99.200 -91.000 TRP6 221 1.020 -43.291 31.742 -28.623 -99.200 -91.000 PHE 224 1.000 -35.149 35.422 -22.750 -99.200 -91.000 TYR 230 0.840 -42.461 34.604 -18.943 -99.200 -91.000 TYR 234 0.840 -45.308 23.224 -26.343 -99.200 -91.000 PHE 240 1.000 -46.821 17.008 -35.638 -99.200 -91.000 PHE 267 1.000 -31.302 24.077 -35.610 -99.200 -91.000 PHE 269 1.000 -31.453 29.668 -36.426 -99.200 -91.000 TYR 271 0.840 -35.096 33.859 -41.008 -99.200 -91.000 TRP 276 1.040 -34.968 28.650 -42.932 -99.200 -91.000 TRP6 276 1.020 -34.598 26.983 -44.580 -99.200 -91.000 PHE 289 1.000 -30.606 18.187 -38.082 -99.200 -91.000 TRP 293 1.040 -39.192 29.025 -46.021 -99.200 -91.000 TRP6 293 1.020 -39.162 30.393 -44.095 -99.200 -91.000 TRP 298 1.040 -43.161 31.303 -34.054 -99.200 -91.000 TRP6 298 1.020 -41.152 30.195 -33.473 -99.200 -91.000 PHE 305 1.000 -42.009 20.025 -46.345 -99.200 -91.000 TRP 317 1.040 -26.329 5.282 -36.186 -99.200 -91.000 TRP6 317 1.020 -28.490 4.582 -35.584 -99.200 -91.000 TYR 320 0.840 -28.865 15.954 -27.011 -99.200 -91.000 PHE 324 1.000 -22.584 27.996 -35.203 -99.200 -91.000 HIS 327 0.900 -24.022 38.608 -31.630 -99.200 -91.000 PHE 340 1.000 -28.034 23.323 -39.390 -99.200 -91.000 TRP 341 1.040 -24.474 23.032 -32.132 -99.200 -91.000 TRP6 341 1.020 -25.137 21.100 -30.938 -99.200 -91.000 TRP 355 1.040 -16.494 3.557 -27.971 -99.200 -91.000 TRP6 355 1.020 -17.268 4.852 -29.792 -99.200 -91.000 PHE 363 1.000 -24.552 21.611 -42.852 -99.200 -91.000 TRP 373 1.040 -23.624 14.706 -51.019 -99.200 -91.000 TRP6 373 1.020 -21.280 14.800 -50.694 -99.200 -91.000 TRP 375 1.040 -21.286 17.278 -46.184 -99.200 -91.000 TRP6 375 1.020 -23.185 18.463 -47.010 -99.200 -91.000 PHE 383 1.000 -13.246 3.683 -33.263 -99.200 -91.000