============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 20 1.040 67.331 -61.596 -60.409 -99.200 -91.000 TRP6 20 1.020 66.515 -60.044 -58.835 -99.200 -91.000 TRP 65 1.040 60.869 -47.478 -70.066 -99.200 -91.000 TRP6 65 1.020 59.442 -49.345 -70.052 -99.200 -91.000 TRP 80 1.040 56.269 -54.315 -61.062 -99.200 -91.000 TRP6 80 1.020 57.199 -52.199 -60.717 -99.200 -91.000 PHE 81 1.000 47.208 -52.745 -59.852 -99.200 -91.000 TYR 112 0.840 50.266 -45.685 -49.873 -99.200 -91.000 PHE 116 1.000 51.541 -44.112 -54.411 -99.200 -91.000 TRP 119 1.040 47.824 -41.580 -60.413 -99.200 -91.000 TRP6 119 1.020 45.578 -40.964 -60.601 -99.200 -91.000 PHE 120 1.000 52.337 -41.529 -60.873 -99.200 -91.000 TYR 128 0.840 46.104 -35.440 -71.684 -99.200 -91.000 TRP 157 1.040 64.196 -47.135 -41.338 -99.200 -91.000 TRP6 157 1.020 62.404 -47.114 -39.789 -99.200 -91.000 PHE 159 1.000 54.888 -46.065 -44.422 -99.200 -91.000 PHE 232 1.000 66.929 -39.098 -48.706 -99.200 -91.000 PHE 263 1.000 44.893 -35.900 -34.696 -99.200 -91.000 PHE 266 1.000 40.836 -25.745 -33.618 -99.200 -91.000 TYR 283 0.840 49.571 -44.750 -30.121 -99.200 -91.000 TYR 297 0.840 50.193 -28.301 -30.517 -99.200 -91.000 TYR 303 0.840 45.187 -31.958 -22.107 -99.200 -91.000 PHE 306 1.000 42.385 -36.515 -28.037 -99.200 -91.000 HIS 344 0.900 61.396 -37.075 -28.313 -99.200 -91.000 PHE 366 1.000 58.446 -57.092 -29.948 -99.200 -91.000 PHE 367 1.000 59.207 -47.456 -25.287 -99.200 -91.000 PHE 387 1.000 60.507 -41.397 -37.890 -99.200 -91.000 PHE 394 1.000 53.041 -30.355 -27.295 -99.200 -91.000 PHE 396 1.000 44.114 -25.738 -29.239 -99.200 -91.000 PHE 411 1.000 61.703 -30.915 -39.880 -99.200 -91.000 TYR 416 0.840 47.551 -35.942 -39.811 -99.200 -91.000 PHE 417 1.000 41.550 -28.313 -39.853 -99.200 -91.000 TYR 418 0.840 39.650 -35.451 -36.335 -99.200 -91.000 PHE 422 1.000 32.229 -23.249 -45.062 -99.200 -91.000 TYR 434 0.840 52.404 -28.372 -40.872 -99.200 -91.000 HIS 439 0.900 37.859 -30.135 -41.633 -99.200 -91.000 PHE 451 1.000 49.576 -38.233 -50.278 -99.200 -91.000 TYR 466 0.840 48.977 -31.032 -59.767 -99.200 -91.000 TYR 471 0.840 60.230 -39.361 -61.291 -99.200 -91.000 TYR 476 0.840 58.598 -21.573 -76.994 -99.200 -91.000 TYR 481 0.840 51.907 -20.918 -90.633 -99.200 -91.000