============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 26 0.840 -12.985 -35.374 103.674 -99.200 -91.000 PHE 28 1.000 -8.489 -31.298 106.701 -99.200 -91.000 TYR 31 0.840 -10.958 -39.579 106.312 -99.200 -91.000 HIS 34 0.900 0.048 -39.707 102.690 -99.200 -91.000 TRP 35 1.040 0.516 -31.274 101.140 -99.200 -91.000 TRP6 35 1.020 0.026 -29.481 99.662 -99.200 -91.000 TRP 46 1.040 4.759 -39.356 100.947 -99.200 -91.000 TRP6 46 1.020 6.445 -39.671 102.581 -99.200 -91.000 TYR 49 0.840 1.127 -39.158 107.079 -99.200 -91.000 TYR 56 0.840 1.684 -40.919 114.931 -99.200 -91.000 TYR 59 0.840 8.055 -32.296 107.344 -99.200 -91.000 PHE 63 1.000 10.147 -34.204 100.926 -99.200 -91.000 HIS 81 0.900 5.881 -21.302 104.996 -99.200 -91.000 TYR 92 0.840 5.423 -29.367 94.885 -99.200 -91.000 TYR 93 0.840 -1.176 -34.388 91.337 -99.200 -91.000 TYR 102 0.840 -12.038 -40.003 97.640 -99.200 -91.000 TRP 103 1.040 -4.365 -39.324 94.435 -99.200 -91.000 TRP6 103 1.020 -2.062 -39.505 94.052 -99.200 -91.000 TYR 122 0.840 5.066 -12.509 66.206 -99.200 -91.000 TYR 145 0.840 4.147 -19.049 77.046 -99.200 -91.000 PHE 146 1.000 9.935 -18.746 82.680 -99.200 -91.000 TRP 154 1.040 -7.994 -21.490 67.483 -99.200 -91.000 TRP6 154 1.020 -7.056 -19.715 66.236 -99.200 -91.000 HIS 164 0.900 -5.383 -31.599 66.832 -99.200 -91.000 PHE 166 1.000 0.219 -27.852 67.491 -99.200 -91.000 TYR 175 0.840 7.720 -22.713 79.288 -99.200 -91.000 HIS 199 0.900 2.347 -15.119 80.433 -99.200 -91.000 PHE 231 1.000 -3.204 21.048 33.378 -99.200 -91.000 PHE 233 1.000 0.769 20.545 28.211 -99.200 -91.000 PHE 265 1.000 -10.466 17.777 24.503 -99.200 -91.000 TRP 267 1.040 -8.676 22.225 19.549 -99.200 -91.000 TRP6 267 1.020 -6.517 22.565 20.446 -99.200 -91.000 PHE 268 1.000 -14.425 29.532 19.217 -99.200 -91.000 HIS 275 0.900 -14.985 22.139 10.526 -99.200 -91.000 PHE 286 1.000 -1.803 8.579 31.925 -99.200 -91.000 PHE 290 1.000 -10.842 6.052 32.274 -99.200 -91.000 HIS 300 0.900 4.489 24.675 8.680 -99.200 -91.000 TRP 303 1.040 3.900 29.647 16.998 -99.200 -91.000 TRP6 303 1.020 3.261 29.298 19.245 -99.200 -91.000 PHE 309 1.000 -3.520 27.772 17.439 -99.200 -91.000 PHE 318 1.000 -15.433 19.404 31.905 -99.200 -91.000 TYR 339 0.840 29.895 32.648 17.287 -99.200 -91.000 PHE 362 1.000 18.880 31.018 21.578 -99.200 -91.000 PHE 363 1.000 12.856 36.825 23.584 -99.200 -91.000 TRP 371 1.040 25.924 18.569 16.791 -99.200 -91.000 TRP6 371 1.020 27.977 19.648 16.393 -99.200 -91.000 TYR 381 0.840 21.665 15.409 17.698 -99.200 -91.000 TYR 394 0.840 15.918 32.698 26.595 -99.200 -91.000 PHE 395 1.000 24.211 30.473 27.672 -99.200 -91.000 TYR 397 0.840 27.936 26.433 25.476 -99.200 -91.000 TRP 407 1.040 39.210 16.042 14.750 -99.200 -91.000 TRP6 407 1.020 37.727 17.855 14.419 -99.200 -91.000 PHE 413 1.000 32.441 14.752 12.367 -99.200 -91.000 HIS 419 0.900 15.413 32.124 17.290 -99.200 -91.000 HIS 423 0.900 18.176 35.228 4.606 -99.200 -91.000 HIS 425 0.900 10.723 31.319 9.790 -99.200 -91.000 HIS 426 0.900 18.826 26.518 7.188 -99.200 -91.000 HIS 433 0.900 42.426 17.234 11.717 -99.200 -91.000