============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 13 0.900 35.204 12.496 29.019 -99.200 -91.000 HIS 21 0.900 48.549 11.476 13.995 -99.200 -91.000 PHE 46 1.000 62.806 5.293 27.828 -99.200 -91.000 TYR 53 0.840 61.536 9.296 38.443 -99.200 -91.000 TRP 77 1.040 54.771 22.432 30.663 -99.200 -91.000 TRP6 77 1.020 54.817 20.259 29.761 -99.200 -91.000 HIS 88 0.900 61.140 7.870 12.205 -99.200 -91.000 PHE 90 1.000 59.864 11.421 16.819 -99.200 -91.000 HIS 95 0.900 48.226 17.974 27.325 -99.200 -91.000 TYR 97 0.840 42.177 18.419 31.926 -99.200 -91.000 PHE 101 1.000 53.612 18.192 34.434 -99.200 -91.000 TYR 102 0.840 47.691 13.893 29.985 -99.200 -91.000 PHE 105 1.000 57.758 11.832 23.036 -99.200 -91.000 PHE 118 1.000 52.862 30.627 14.259 -99.200 -91.000 HIS 132 0.900 34.781 39.033 4.000 -99.200 -91.000 TYR 152 0.840 42.301 18.840 5.774 -99.200 -91.000 TYR 158 0.840 30.285 21.378 9.424 -99.200 -91.000 PHE 160 1.000 27.117 23.224 15.425 -99.200 -91.000 HIS 162 0.900 17.683 27.943 21.882 -99.200 -91.000 TYR 180 0.840 28.771 16.827 1.439 -99.200 -91.000 TYR 185 0.840 25.543 18.716 10.966 -99.200 -91.000 TYR 198 0.840 34.808 19.158 17.230 -99.200 -91.000 TYR 211 0.840 42.272 5.639 14.636 -99.200 -91.000 PHE 217 1.000 47.931 -1.674 27.215 -99.200 -91.000 PHE 228 1.000 46.752 7.759 32.702 -99.200 -91.000 TYR 232 0.840 42.030 20.988 27.893 -99.200 -91.000 HIS 242 0.900 33.106 11.893 13.136 -99.200 -91.000 TYR 245 0.840 28.098 10.531 9.582 -99.200 -91.000 TRP 266 1.040 27.342 31.539 16.114 -99.200 -91.000 TRP6 266 1.020 28.100 31.624 13.881 -99.200 -91.000 PHE 269 1.000 35.664 28.443 9.398 -99.200 -91.000 HIS 272 0.900 34.895 16.309 6.236 -99.200 -91.000 HIS 273 0.900 43.108 15.581 1.359 -99.200 -91.000 TYR 281 0.840 52.069 22.144 18.634 -99.200 -91.000 PHE 287 1.000 45.352 26.529 9.626 -99.200 -91.000 PHE 290 1.000 40.650 31.462 11.170 -99.200 -91.000 PHE 331 1.000 -12.254 46.191 18.484 -99.200 -91.000 HIS 336 0.900 -3.669 50.576 8.088 -99.200 -91.000 TYR 382 0.840 -2.012 27.401 24.000 -99.200 -91.000 HIS 383 0.900 4.209 28.530 25.901 -99.200 -91.000 TRP 387 1.040 -3.578 22.825 16.850 -99.200 -91.000 TRP6 387 1.020 -4.091 23.527 19.042 -99.200 -91.000 PHE 398 1.000 -6.707 42.484 23.744 -99.200 -91.000 TRP 400 1.040 -8.584 35.710 24.649 -99.200 -91.000 TRP6 400 1.020 -6.728 34.733 25.726 -99.200 -91.000 PHE 402 1.000 -6.145 33.910 19.773 -99.200 -91.000 TRP 403 1.040 1.117 36.880 18.361 -99.200 -91.000 TRP6 403 1.020 1.208 39.111 17.611 -99.200 -91.000 PHE 404 1.000 -3.316 31.726 14.327 -99.200 -91.000 HIS 406 0.900 2.662 28.530 6.877 -99.200 -91.000 HIS 410 0.900 14.896 21.622 3.885 -99.200 -91.000 PHE 423 1.000 17.356 16.728 4.409 -99.200 -91.000 TRP 426 1.040 17.252 18.452 10.726 -99.200 -91.000 TRP6 426 1.020 16.186 19.723 9.050 -99.200 -91.000 HIS 433 0.9