============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 44 0.840 9.566 -54.855 -53.866 -99.200 -91.000 PHE 50 1.000 13.288 -63.262 -42.218 -99.200 -91.000 TRP 55 1.040 24.466 -72.013 -44.816 -99.200 -91.000 TRP6 55 1.020 26.279 -73.324 -44.055 -99.200 -91.000 PHE 66 1.000 11.276 -57.545 -42.849 -99.200 -91.000 TYR 77 0.840 8.727 -51.123 -45.521 -99.200 -91.000 PHE 87 1.000 5.886 -68.307 -45.936 -99.200 -91.000 PHE 101 1.000 17.204 -69.314 -54.793 -99.200 -91.000 PHE 108 1.000 24.280 -69.304 -61.598 -99.200 -91.000 PHE 124 1.000 12.660 -71.497 -53.952 -99.200 -91.000 HIS 134 0.900 0.424 -68.696 -43.170 -99.200 -91.000 TYR 141 0.840 15.029 -61.359 -57.138 -99.200 -91.000 TYR 150 0.840 29.634 -71.933 -63.468 -99.200 -91.000 TRP 161 1.040 9.943 -74.623 -69.827 -99.200 -91.000 TRP6 161 1.020 10.766 -75.306 -67.718 -99.200 -91.000 TYR 172 0.840 4.287 -59.534 -57.069 -99.200 -91.000 HIS 207 0.900 18.314 -58.145 -59.801 -99.200 -91.000 PHE 208 1.000 18.330 -55.388 -67.634 -99.200 -91.000 HIS 209 0.900 24.094 -58.599 -60.845 -99.200 -91.000 TYR 212 0.840 31.393 -58.430 -68.393 -99.200 -91.000 TYR 220 0.840 16.926 -45.291 -74.281 -99.200 -91.000 PHE 230 1.000 13.599 -51.088 -65.994 -99.200 -91.000 TYR 242 0.840 29.934 -66.825 -61.063 -99.200 -91.000 TYR 257 0.840 21.594 -37.496 -64.020 -99.200 -91.000 HIS 265 0.900 5.536 -40.220 -59.982 -99.200 -91.000 HIS 271 0.900 19.581 -33.508 -50.517 -99.200 -91.000