============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 1 1.000 170.977 0.569 -39.226 -99.200 -91.000 PHE 4 1.000 178.510 0.388 -33.295 -99.200 -91.000 TYR 27 0.840 180.722 11.518 -58.958 -99.200 -91.000 TYR 43 0.840 187.075 28.230 -66.202 -99.200 -91.000 TYR 47 0.840 189.130 32.753 -73.021 -99.200 -91.000 TYR 49 0.840 177.757 34.587 -72.431 -99.200 -91.000 HIS 50 0.900 186.553 38.494 -69.279 -99.200 -91.000 PHE 53 1.000 184.526 43.954 -70.761 -99.200 -91.000 TYR 55 0.840 182.456 44.021 -81.627 -99.200 -91.000 PHE 56 1.000 178.519 44.062 -78.367 -99.200 -91.000 PHE 69 1.000 173.490 39.978 -70.907 -99.200 -91.000 PHE 70 1.000 177.024 39.888 -74.546 -99.200 -91.000 HIS 80 0.900 175.972 29.644 -64.324 -99.200 -91.000 TYR 87 0.840 177.523 17.200 -57.375 -99.200 -91.000 PHE 107 1.000 181.711 38.235 -80.538 -99.200 -91.000 HIS 109 0.900 174.998 39.551 -89.251 -99.200 -91.000 HIS 117 0.900 176.476 37.912 -85.185 -99.200 -91.000 HIS 137 0.900 168.422 14.789 -65.326 -99.200 -91.000 PHE 151 1.000 175.319 20.252 -58.500 -99.200 -91.000 TYR 156 0.840 174.947 23.995 -62.748 -99.200 -91.000 TYR 170 0.840 168.270 40.988 -71.998 -99.200 -91.000 HIS 181 0.900 166.665 57.512 -80.699 -99.200 -91.000 TRP 184 1.040 172.941 55.418 -77.357 -99.200 -91.000 TRP6 184 1.020 171.429 56.828 -76.215 -99.200 -91.000 HIS 185 0.900 165.101 54.433 -75.455 -99.200 -91.000 PHE 186 1.000 168.057 45.611 -75.449 -99.200 -91.000 HIS 192 0.900 171.286 53.668 -66.878 -99.200 -91.000