============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 10 1.000 13.514 -3.411 -20.107 -99.200 -91.000 TRP 32 1.040 29.604 -23.413 -6.687 -99.200 -91.000 TRP6 32 1.020 29.284 -21.252 -5.794 -99.200 -91.000 HIS 43 0.900 48.624 -20.697 -3.820 -99.200 -91.000 PHE 49 1.000 56.771 -10.222 -11.686 -99.200 -91.000 TRP 53 1.040 61.884 -4.733 -11.133 -99.200 -91.000 TRP6 53 1.020 63.592 -3.177 -11.621 -99.200 -91.000 HIS 62 0.900 51.547 -15.808 -11.425 -99.200 -91.000 HIS 70 0.900 44.572 -25.526 -21.958 -99.200 -91.000 TYR 81 0.840 47.474 -14.220 -21.006 -99.200 -91.000 TRP 94 1.040 29.246 -22.504 -29.873 -99.200 -91.000 TRP6 94 1.020 27.894 -20.601 -29.470 -99.200 -91.000 PHE 107 1.000 27.034 -15.763 -31.108 -99.200 -91.000 TYR 125 0.840 56.291 1.633 -30.417 -99.200 -91.000 HIS 179 0.900 27.252 -1.230 -22.449 -99.200 -91.000 TRP 181 1.040 19.184 -7.437 -19.432 -99.200 -91.000 TRP6 181 1.020 18.433 -5.246 -19.059 -99.200 -91.000 PHE 209 1.000 46.228 -0.695 -9.726 -99.200 -91.000 PHE 229 1.000 32.643 -5.715 2.357 -99.200 -91.000 PHE 236 1.000 44.556 -4.204 -5.805 -99.200 -91.000 PHE 238 1.000 47.190 -6.690 -9.450 -99.200 -91.000 HIS 252 0.900 18.452 -18.638 -29.276 -99.200 -91.000 PHE 274 1.000 35.484 11.591 -4.222 -99.200 -91.000 HIS 275 0.900 40.994 10.815 -6.516 -99.200 -91.000 HIS 306 0.900 25.024 -13.340 -2.628 -99.200 -91.000 HIS 310 0.900 34.953 -3.879 -7.239 -99.200 -91.000 TYR 336 0.840 31.782 -15.386 -1.889 -99.200 -91.000 HIS 344 0.900 40.373 -5.918 -8.411 -99.200 -91.000 TYR 372 0.840 33.431 -10.252 8.227 -99.200 -91.000 TYR 390 0.840 24.827 -25.573 2.135 -99.200 -91.000 TYR 393 0.840 21.433 -17.491 -0.201 -99.200 -91.000 TYR 395 0.840 13.817 -11.998 -7.278 -99.200 -91.000 PHE 401 1.000 30.513 -0.616 -6.625 -99.200 -91.000 PHE 403 1.000 41.430 1.131 -9.213 -99.200 -91.000 HIS 406 0.900 34.581 4.401 -15.306 -99.200 -91.000 PHE 412 1.000 23.574 -12.188 -12.905 -99.200 -91.000 TYR 415 0.840 14.629 -21.499 -15.724 -99.200 -91.000