============================================================================= 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. TYR 3 0.840 22.033 -2.688 33.982 -99.200 -91.000 TYR 4 0.840 18.879 -10.371 37.095 -99.200 -91.000 PHE 15 1.000 12.670 -14.881 20.120 -99.200 -91.000 PHE 16 1.000 13.997 -8.677 14.196 -99.200 -91.000 TRP 45 1.040 9.698 -18.798 17.064 -99.200 -91.000 TRP6 45 1.020 9.775 -20.824 15.872 -99.200 -91.000 HIS 56 0.900 2.623 -15.402 1.642 -99.200 -91.000 PHE 66 1.000 12.347 -14.263 15.314 -99.200 -91.000 PHE 75 1.000 15.383 -15.955 25.007 -99.200 -91.000 PHE 77 1.000 8.774 -19.281 25.202 -99.200 -91.000 PHE 78 1.000 10.683 -18.233 32.726 -99.200 -91.000 HIS 86 0.900 -1.482 -17.030 33.679 -99.200 -91.000 TYR 96 0.840 12.087 -9.737 35.050 -99.200 -91.000 TYR 101 0.840 4.728 -4.514 29.286 -99.200 -91.000 PHE 127 1.000 -10.614 -17.314 6.735 -99.200 -91.000 TRP 130 1.040 -11.036 -21.856 12.090 -99.200 -91.000 TRP6 130 1.020 -11.389 -22.161 9.791 -99.200 -91.000 TYR 131 0.840 -5.565 -18.255 7.181 -99.200 -91.000 HIS 134 0.900 -3.694 -17.126 18.616 -99.200 -91.000 HIS 136 0.900 -5.415 -16.671 22.873 -99.200 -91.000 PHE 137 1.000 -8.028 -15.314 17.219 -99.200 -91.000 HIS 180 0.900 -8.899 -25.408 13.390 -99.200 -91.000 PHE 206 1.000 -4.159 -5.122 -2.434 -99.200 -91.000 TYR 254 0.840 -3.040 -10.361 -11.641 -99.200 -91.000 HIS 262 0.900 -11.108 -21.174 -15.628 -99.200 -91.000 PHE 267 1.000 -7.450 -7.837 -6.438 -99.200 -91.000 PHE 269 1.000 -8.552 -1.658 -6.670 -99.200 -91.000 TYR 322 0.840 -4.031 -8.988 12.498 -99.200 -91.000 PHE 332 1.000 -4.686 0.437 23.861 -99.200 -91.000 TYR 353 0.840 12.508 1.451 28.324 -99.200 -91.000 TRP 357 1.040 3.126 -4.631 13.539 -99.200 -91.000 TRP6 357 1.020 1.525 -5.918 12.392 -99.200 -91.000 PHE 396 1.000 16.278 -6.702 40.770 -99.200 -91.000 HIS 398 0.900 15.816 -10.480 40.726 -99.200 -91.000 TRP 405 1.040 6.040 -13.456 41.012 -99.200 -91.000 TRP6 405 1.020 6.363 -12.294 39.031 -99.200 -91.000 HIS 418 0.900 8.994 -29.478 29.489 -99.200 -91.000 TRP 419 1.040 9.584 -23.745 21.151 -99.200 -91.000 TRP6 419 1.020 7.902 -24.040 19.532 -99.200 -91.000 PHE 425 1.000 2.519 -34.544 19.222 -99.200 -91.000 HIS 433 0.900 0.551 -37.696 7.145 -99.200 -91.000