============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 6 1.000 12.687 108.273 42.515 -99.200 -91.000 TYR 16 0.840 14.586 93.275 32.777 -99.200 -91.000 TRP 18 1.040 7.596 93.432 41.809 -99.200 -91.000 TRP6 18 1.020 6.329 95.002 43.082 -99.200 -91.000 PHE 33 1.000 8.090 100.388 44.262 -99.200 -91.000 TRP 36 1.040 4.641 108.710 32.675 -99.200 -91.000 TRP6 36 1.020 3.909 107.596 30.711 -99.200 -91.000 TYR 40 0.840 0.369 108.017 42.413 -99.200 -91.000 PHE 43 1.000 2.512 100.257 41.638 -99.200 -91.000 TYR 47 0.840 0.997 98.918 48.160 -99.200 -91.000 PHE 52 1.000 0.549 95.766 42.225 -99.200 -91.000 PHE 72 1.000 10.680 110.536 37.921 -99.200 -91.000 PHE 76 1.000 6.032 117.469 32.119 -99.200 -91.000 TYR 92 0.840 0.596 114.102 33.974 -99.200 -91.000 TYR 98 0.840 3.266 116.404 38.100 -99.200 -91.000 HIS 108 0.900 17.967 116.701 51.341 -99.200 -91.000 TYR 111 0.840 11.111 109.038 52.981 -99.200 -91.000 HIS 119 0.900 16.523 106.319 32.920 -99.200 -91.000 TYR 139 0.840 16.568 110.452 16.267 -99.200 -91.000 TYR 148 0.840 18.144 116.470 29.430 -99.200 -91.000 TYR 156 0.840 17.092 119.470 38.403 -99.200 -91.000 PHE 157 1.000 16.356 111.890 42.448 -99.200 -91.000 TYR 172 0.840 17.279 94.749 23.050 -99.200 -91.000 HIS 173 0.900 24.299 93.628 21.482 -99.200 -91.000 TYR 182 0.840 14.975 98.840 21.201 -99.200 -91.000 TYR 202 0.840 35.813 113.799 33.022 -99.200 -91.000 HIS 203 0.900 31.392 116.054 32.927 -99.200 -91.000 TYR 208 0.840 28.663 116.154 42.163 -99.200 -91.000 PHE 233 1.000 11.374 93.292 19.479 -99.200 -91.000 TYR 236 0.840 12.540 86.372 16.013 -99.200 -91.000 TYR 240 0.840 17.986 84.367 17.707 -99.200 -91.000 TYR 244 0.840 19.142 79.879 17.697 -99.200 -91.000 PHE 262 1.000 29.002 93.445 41.841 -99.200 -91.000 TYR 277 0.840 25.973 93.759 26.315 -99.200 -91.000 PHE 286 1.000 28.877 86.914 12.486 -99.200 -91.000