============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 16 1.000 3.008 -10.902 106.633 -99.200 -91.000 TYR 64 0.840 -2.282 -14.713 102.641 -99.200 -91.000 PHE 73 1.000 0.585 -10.121 115.992 -99.200 -91.000 PHE 118 1.000 -2.577 -7.623 130.692 -99.200 -91.000 PHE 161 1.000 -14.014 -11.886 136.325 -99.200 -91.000 TYR 311 0.840 10.253 -2.899 152.991 -99.200 -91.000 TYR 315 0.840 1.038 6.545 155.348 -99.200 -91.000 PHE 316 1.000 -2.339 11.738 156.947 -99.200 -91.000 PHE 335 1.000 7.276 5.760 153.926 -99.200 -91.000 PHE 336 1.000 7.983 8.864 162.960 -99.200 -91.000 TYR 337 0.840 3.559 10.151 155.517 -99.200 -91.000 TRP 355 1.040 11.386 6.740 152.188 -99.200 -91.000 TRP6 355 1.020 10.796 5.918 150.076 -99.200 -91.000 HIS 360 0.900 2.403 17.511 157.103 -99.200 -91.000 TRP 385 1.040 6.247 22.814 168.891 -99.200 -91.000 TRP6 385 1.020 7.869 22.353 167.237 -99.200 -91.000 TYR 392 0.840 -0.259 41.536 176.252 -99.200 -91.000 TYR 421 0.840 16.580 33.676 166.440 -99.200 -91.000 TRP 428 1.040 6.233 37.792 168.711 -99.200 -91.000 TRP6 428 1.020 6.960 35.716 169.596 -99.200 -91.000 TYR 433 0.840 13.217 42.680 100.598 -99.200 -91.000 TYR 439 0.840 9.218 29.817 166.632 -99.200 -91.000 PHE 441 1.000 11.099 24.243 162.448 -99.200 -91.000 PHE 454 1.000 13.393 20.003 161.846 -99.200 -91.000