*HEADER CARBOHYDRATE 22-JAN-13 SMS21033 *TITLE SOLUTION STRUCTURE OF LEWIS X (GAL-BETA1,4-[FUC-ALPHA1,3]-GLCNAC-BETA) *TITLE 2 ATTACHED TO A PROTEIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SUGAR (3-MER); *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES; *COMPND 5 OTHER_DETAILS: D-GAL-BETA1,4-[L-FUC-ALPHA1,3]-D-GLCNAC-BETA-SP8A, THE *COMPND 6 TRISACCHARIDE WAS CHEMICALLY SYNTHESIZED. *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS LEWIS X, CARBOHYDRATE, CD15, SSEA-1, BLOOD GROUP DETERMINANT, *KEYWDS 2 GLYCOEPITOPE, OLIGOSACCHARIDE *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.ZIERKE, B.ERNST, F.ALLAIN, M.SCHUBERT # # 3 0LB H1 3 0LB H2 3.3 &rst ixpk= 0, nxpk= 0, iat= 33, 51, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, &end # # 3 0LB H1 3 0LB H3 2.9 &rst ixpk= 0, nxpk= 0, iat= 33, 47, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 3 0LB H1 3 0LB H5 2.7 &rst ixpk= 0, nxpk= 0, iat= 33, 36, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end # # 3 0LB H2 3 0LB H3 3.0 &rst ixpk= 0, nxpk= 0, iat= 51, 47, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 3 0LB H3 3 0LB H4 2.6 &rst ixpk= 0, nxpk= 0, iat= 47, 43, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 3 0LB H4 3 0LB H5 2.6 &rst ixpk= 0, nxpk= 0, iat= 43, 36, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 3 0LB H1 2 WYB H4 2.8 &rst ixpk= 0, nxpk= 0, iat= 33, 17, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 3 0LB H1 2 WYB H61 3.1 &rst ixpk= 0, nxpk= 0, iat= 33, 12, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 3 0LB H1 2 WYB H62 2.9 &rst ixpk= 0, nxpk= 0, iat= 33, 13, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 3 0LB H2 4 0fA H5 3.5 &rst ixpk= 0, nxpk= 0, iat= 51, 58, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 0LB H2 4 0fA Q6 3.3 &rst ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 60, 61, 62, &end # # 3 0LB Q6 4 0fA H3 3.2 &rst ixpk= 0, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr1= 38, 39, &end # # 2 WYB H1 2 WYB H3 3.5 &rst ixpk= 0, nxpk= 0, iat= 7, 19, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 2 WYB H1 2 WYB H5 3.1 &rst ixpk= 0, nxpk= 0, iat= 7, 10, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 2 WYB H5 2 WYB H61 3.1 &rst ixpk= 0, nxpk= 0, iat= 10, 12, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 2 WYB Q2 2 WYB H2 4.7 &rst ixpk= 0, nxpk= 0, iat= -1, 22, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1= 28, 29, 30, &end # # 2 WYB H1 2 WYB H2N 3.3 &rst ixpk= 0, nxpk= 0, iat= 7, 24, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 2 WYB H3 2 WYB H2N 3.2 &rst ixpk= 0, nxpk= 0, iat= 19, 24, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 2 WYB Q2 2 WYB H2N 3.6 &rst ixpk= 0, nxpk= 0, iat= -1, 24, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1= 28, 29, 30, &end # # 2 WYB H3 4 0fA H1 3.3 &rst ixpk= 0, nxpk= 0, iat= 19, 55, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 2 WYB Q2 4 0fA H1 4.3 &rst ixpk= 0, nxpk= 0, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 28, 29, 30, &end # # 2 WYB H2N 4 0fA H1 3.0 &rst ixpk= 0, nxpk= 0, iat= 24, 55, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 4 0fA H1 4 0fA H2 2.9 &rst ixpk= 0, nxpk= 0, iat= 55, 72, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 4 0fA H1 4 0fA Q6 4.5 &rst ixpk= 0, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 60, 61, 62, &end # # 4 0fA H3 4 0fA H5 3.4 &rst ixpk= 0, nxpk= 0, iat= 68, 58, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 4 0fA H4 4 0fA H5 3.0 &rst ixpk= 0, nxpk= 0, iat= 64, 58, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 4 0fA H4 4 0fA Q6 3.1 &rst ixpk= 0, nxpk= 0, iat= 64, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2= 60, 61, 62, &end # # 4 0fA H5 4 0fA Q6 3.3 &rst ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 60, 61, 62, &end Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MAG 1 H1 MAG 1 8.347 5.731 1.325 2 H2 MAG 1 H2 MAG 1 5.321 5.416 1.122 3 H3 MAG 1 H3 MAG 1 7.423 3.395 1.996 4 H4 MAG 1 H4 MAG 1 5.620 3.411 -0.461 5 H5 MAG 1 H5 MAG 1 8.642 3.806 -0.282 6 H61 MAG 1 H61 MAG 1 7.975 2.685 -2.389 7 H62 MAG 1 H62 MAG 1 6.740 3.918 -2.674 8 H81 MAG 1 H81 MAG 1 5.419 5.652 5.609 9 H82 MAG 1 H82 MAG 1 4.401 7.092 5.389 10 H83 MAG 1 H83 MAG 1 6.165 7.220 5.222 11 HN2 MAG 1 HN2 MAG 1 7.025 5.403 3.588 12 HO6 MAG 1 HO6 MAG 1 8.503 5.496 -2.621 13 HM1 MAG 1 HM1 MAG 1 9.156 7.974 1.081 14 HM2 MAG 1 HM2 MAG 1 8.514 7.965 -0.577 15 HM3 MAG 1 HM3 MAG 1 8.044 9.251 0.551 16 H1 GAL 2 H1 GAL 2 5.969 1.426 -1.850 17 H2 GAL 2 H2 GAL 2 6.887 -0.801 0.034 18 H3 GAL 2 H3 GAL 2 5.538 -1.101 -2.677 19 H4 GAL 2 H4 GAL 2 3.601 -2.043 -1.490 20 H5 GAL 2 H5 GAL 2 3.637 0.380 -1.972 21 H61 GAL 2 H61 GAL 2 2.429 -0.137 0.788 22 H62 GAL 2 H62 GAL 2 1.645 -0.492 -0.759 23 HO2 GAL 2 HO2 GAL 2 8.508 0.195 -1.274 24 HO3 GAL 2 HO3 GAL 2 7.095 -2.739 -1.996 25 HO4 GAL 2 HO4 GAL 2 4.811 -2.762 0.383 26 HO6 GAL 2 HO6 GAL 2 2.622 2.086 0.024 27 H1 FUC 3 H1 FUC 3 6.030 3.300 4.089 28 H2 FUC 3 H2 FUC 3 4.469 1.905 5.266 29 H3 FUC 3 H3 FUC 3 3.451 0.972 2.535 30 H4 FUC 3 H4 FUC 3 4.347 -1.241 3.163 31 H5 FUC 3 H5 FUC 3 5.801 0.275 1.895 32 H61 FUC 3 H61 FUC 3 7.528 -1.122 3.982 33 H62 FUC 3 H62 FUC 3 8.020 -0.604 2.378 34 H63 FUC 3 H63 FUC 3 6.841 -1.894 2.555 35 HO2 FUC 3 HO2 FUC 3 2.430 2.762 4.397 36 HO3 FUC 3 HO3 FUC 3 2.767 -0.058 5.120 37 HO4 FUC 3 HO4 FUC 3 5.556 -1.461 5.107 Start of MODEL 2 1 H1 MAG 1 H1 MAG 1 8.357 5.725 1.328 2 H2 MAG 1 H2 MAG 1 5.330 5.415 1.119 3 H3 MAG 1 H3 MAG 1 7.428 3.392 1.998 4 H4 MAG 1 H4 MAG 1 5.627 3.411 -0.462 5 H5 MAG 1 H5 MAG 1 8.649 3.799 -0.278 6 H61 MAG 1 H61 MAG 1 7.983 2.679 -2.386 7 H62 MAG 1 H62 MAG 1 6.752 3.916 -2.673 8 H81 MAG 1 H81 MAG 1 6.174 7.210 5.223 9 H82 MAG 1 H82 MAG 1 5.406 5.650 5.606 10 H83 MAG 1 H83 MAG 1 4.408 7.103 5.381 11 HN2 MAG 1 HN2 MAG 1 7.028 5.400 3.589 12 HO6 MAG 1 HO6 MAG 1 8.518 5.488 -2.618 13 HM1 MAG 1 HM1 MAG 1 9.170 7.966 1.085 14 HM2 MAG 1 HM2 MAG 1 8.531 7.958 -0.574 15 HM3 MAG 1 HM3 MAG 1 8.062 9.245 0.552 16 H1 GAL 2 H1 GAL 2 5.971 1.425 -1.850 17 H2 GAL 2 H2 GAL 2 6.880 -0.804 0.035 18 H3 GAL 2 H3 GAL 2 5.533 -1.099 -2.677 19 H4 GAL 2 H4 GAL 2 3.592 -2.036 -1.493 20 H5 GAL 2 H5 GAL 2 3.636 0.386 -1.975 21 H61 GAL 2 H61 GAL 2 2.424 -0.127 0.785 22 H62 GAL 2 H62 GAL 2 1.640 -0.480 -0.761 23 HO2 GAL 2 HO2 GAL 2 8.506 0.187 -1.272 24 HO3 GAL 2 HO3 GAL 2 7.085 -2.744 -1.995 25 HO4 GAL 2 HO4 GAL 2 4.799 -2.760 0.382 26 HO6 GAL 2 HO6 GAL 2 2.624 2.096 0.021 27 H1 FUC 3 H1 FUC 3 6.037 3.297 4.088 28 H2 FUC 3 H2 FUC 3 4.470 1.910 5.267 29 H3 FUC 3 H3 FUC 3 3.445 0.982 2.536 30 H4 FUC 3 H4 FUC 3 4.330 -1.235 3.163 31 H5 FUC 3 H5 FUC 3 5.792 0.273 1.894 32 H61 FUC 3 H61 FUC 3 7.512 -1.133 3.983 33 H62 FUC 3 H62 FUC 3 8.007 -0.616 2.377 34 H63 FUC 3 H63 FUC 3 6.821 -1.902 2.555 35 HO2 FUC 3 HO2 FUC 3 2.435 2.778 4.400 36 HO3 FUC 3 HO3 FUC 3 2.758 -0.044 5.122 37 HO4 FUC 3 HO4 FUC 3 5.539 -1.462 5.107 Start of MODEL 3 1 H1 MAG 1 H1 MAG 1 8.298 5.792 1.374 2 H2 MAG 1 H2 MAG 1 5.277 5.433 1.168 3 H3 MAG 1 H3 MAG 1 7.403 3.435 2.031 4 H4 MAG 1 H4 MAG 1 5.604 3.445 -0.428 5 H5 MAG 1 H5 MAG 1 8.624 3.868 -0.224 6 H61 MAG 1 H61 MAG 1 8.008 2.741 -2.339 7 H62 MAG 1 H62 MAG 1 6.746 3.945 -2.637 8 H81 MAG 1 H81 MAG 1 4.350 7.063 5.455 9 H82 MAG 1 H82 MAG 1 6.108 7.229 5.260 10 H83 MAG 1 H83 MAG 1 5.404 5.649 5.674 11 HN2 MAG 1 HN2 MAG 1 7.001 5.455 3.621 12 HO6 MAG 1 HO6 MAG 1 8.473 5.563 -2.565 13 HM1 MAG 1 HM1 MAG 1 7.935 9.306 0.603 14 HM2 MAG 1 HM2 MAG 1 9.068 8.048 1.134 15 HM3 MAG 1 HM3 MAG 1 8.430 8.031 -0.526 16 H1 GAL 2 H1 GAL 2 5.975 1.505 -1.836 17 H2 GAL 2 H2 GAL 2 6.975 -0.751 -0.036 18 H3 GAL 2 H3 GAL 2 5.570 -1.052 -2.718 19 H4 GAL 2 H4 GAL 2 3.678 -2.057 -1.503 20 H5 GAL 2 H5 GAL 2 3.677 0.381 -1.990 21 H61 GAL 2 H61 GAL 2 2.448 -0.170 0.752 22 H62 GAL 2 H62 GAL 2 1.683 -0.519 -0.804 23 HO2 GAL 2 HO2 GAL 2 8.216 -1.178 -1.992 24 HO3 GAL 2 HO3 GAL 2 6.162 -3.065 -0.775 25 HO4 GAL 2 HO4 GAL 2 3.725 -2.302 0.692 26 HO6 GAL 2 HO6 GAL 2 2.634 2.063 -0.003 27 H1 FUC 3 H1 FUC 3 6.003 3.287 4.127 28 H2 FUC 3 H2 FUC 3 4.456 1.860 5.264 29 H3 FUC 3 H3 FUC 3 3.524 0.845 2.530 30 H4 FUC 3 H4 FUC 3 4.531 -1.316 3.169 31 H5 FUC 3 H5 FUC 3 5.874 0.293 1.879 32 H61 FUC 3 H61 FUC 3 7.023 -1.835 2.483 33 H62 FUC 3 H62 FUC 3 7.699 -1.059 3.914 34 H63 FUC 3 H63 FUC 3 8.141 -0.491 2.310 35 HO2 FUC 3 HO2 FUC 3 3.216 3.248 3.080 36 HO3 FUC 3 HO3 FUC 3 2.891 -0.191 5.130 37 HO4 FUC 3 HO4 FUC 3 5.780 -1.449 5.100 Start of MODEL 4 1 H1 MAG 1 H1 MAG 1 8.702 5.519 1.396 2 H2 MAG 1 H2 MAG 1 5.666 5.417 1.152 3 H3 MAG 1 H3 MAG 1 7.660 3.295 2.033 4 H4 MAG 1 H4 MAG 1 5.878 3.432 -0.437 5 H5 MAG 1 H5 MAG 1 8.918 3.623 -0.224 6 H61 MAG 1 H61 MAG 1 8.197 2.572 -2.351 7 H62 MAG 1 H62 MAG 1 7.055 3.893 -2.634 8 H81 MAG 1 H81 MAG 1 5.755 5.527 5.660 9 H82 MAG 1 H82 MAG 1 4.702 6.946 5.470 10 H83 MAG 1 H83 MAG 1 6.462 7.119 5.297 11 HN2 MAG 1 HN2 MAG 1 7.359 5.362 3.625 12 HO6 MAG 1 HO6 MAG 1 8.933 5.339 -2.534 13 HM1 MAG 1 HM1 MAG 1 5.635 7.657 0.854 14 HM2 MAG 1 HM2 MAG 1 6.664 9.038 0.447 15 HM3 MAG 1 HM3 MAG 1 6.510 7.689 -0.692 16 H1 GAL 2 H1 GAL 2 6.098 1.450 -1.837 17 H2 GAL 2 H2 GAL 2 6.877 -0.861 0.009 18 H3 GAL 2 H3 GAL 2 5.519 -1.026 -2.709 19 H4 GAL 2 H4 GAL 2 3.525 -1.873 -1.542 20 H5 GAL 2 H5 GAL 2 3.704 0.551 -1.974 21 H61 GAL 2 H61 GAL 2 2.472 0.051 0.778 22 H62 GAL 2 H62 GAL 2 1.665 -0.222 -0.772 23 HO2 GAL 2 HO2 GAL 2 8.560 0.057 -1.278 24 HO3 GAL 2 HO3 GAL 2 6.973 -2.769 -2.059 25 HO4 GAL 2 HO4 GAL 2 4.690 -2.701 0.317 26 HO6 GAL 2 HO6 GAL 2 2.801 2.275 0.058 27 H1 FUC 3 H1 FUC 3 6.290 3.228 4.115 28 H2 FUC 3 H2 FUC 3 4.670 1.896 5.290 29 H3 FUC 3 H3 FUC 3 3.572 1.090 2.547 30 H4 FUC 3 H4 FUC 3 4.330 -1.179 3.102 31 H5 FUC 3 H5 FUC 3 5.880 0.250 1.877 32 H61 FUC 3 H61 FUC 3 7.503 -1.279 3.955 33 H62 FUC 3 H62 FUC 3 8.041 -0.771 2.362 34 H63 FUC 3 H63 FUC 3 6.780 -1.985 2.513 35 HO2 FUC 3 HO2 FUC 3 2.775 3.030 4.734 36 HO3 FUC 3 HO3 FUC 3 1.899 1.173 4.113 37 HO4 FUC 3 HO4 FUC 3 4.178 -0.879 5.425 Start of MODEL 5 1 H1 MAG 1 H1 MAG 1 8.705 5.488 1.445 2 H2 MAG 1 H2 MAG 1 5.673 5.445 1.147 3 H3 MAG 1 H3 MAG 1 7.604 3.287 2.075 4 H4 MAG 1 H4 MAG 1 5.874 3.445 -0.430 5 H5 MAG 1 H5 MAG 1 8.913 3.585 -0.165 6 H61 MAG 1 H61 MAG 1 8.208 2.538 -2.299 7 H62 MAG 1 H62 MAG 1 7.096 3.880 -2.606 8 H81 MAG 1 H81 MAG 1 5.719 5.592 5.672 9 H82 MAG 1 H82 MAG 1 4.652 6.994 5.446 10 H83 MAG 1 H83 MAG 1 6.410 7.182 5.272 11 HN2 MAG 1 HN2 MAG 1 7.333 5.403 3.642 12 HO6 MAG 1 HO6 MAG 1 8.999 5.291 -2.480 13 HM1 MAG 1 HM1 MAG 1 5.688 7.699 0.903 14 HM2 MAG 1 HM2 MAG 1 6.748 9.044 0.458 15 HM3 MAG 1 HM3 MAG 1 6.543 7.680 -0.654 16 H1 GAL 2 H1 GAL 2 6.084 1.451 -1.812 17 H2 GAL 2 H2 GAL 2 6.798 -0.858 0.061 18 H3 GAL 2 H3 GAL 2 5.477 -1.030 -2.674 19 H4 GAL 2 H4 GAL 2 3.452 -1.832 -1.528 20 H5 GAL 2 H5 GAL 2 3.688 0.586 -1.989 21 H61 GAL 2 H61 GAL 2 2.379 0.135 0.735 22 H62 GAL 2 H62 GAL 2 1.607 -0.132 -0.834 23 HO2 GAL 2 HO2 GAL 2 8.513 0.023 -1.210 24 HO3 GAL 2 HO3 GAL 2 6.892 -2.789 -1.984 25 HO4 GAL 2 HO4 GAL 2 4.571 -2.655 0.360 26 HO6 GAL 2 HO6 GAL 2 2.779 2.347 -0.001 27 H1 FUC 3 H1 FUC 3 6.156 3.262 4.135 28 H2 FUC 3 H2 FUC 3 4.473 1.980 5.250 29 H3 FUC 3 H3 FUC 3 3.505 1.037 2.501 30 H4 FUC 3 H4 FUC 3 4.306 -1.201 3.169 31 H5 FUC 3 H5 FUC 3 5.816 0.273 1.903 32 H61 FUC 3 H61 FUC 3 7.469 -1.212 3.991 33 H62 FUC 3 H62 FUC 3 7.995 -0.702 2.394 34 H63 FUC 3 H63 FUC 3 6.761 -1.943 2.552 35 HO2 FUC 3 HO2 FUC 3 3.397 3.464 3.042 36 HO3 FUC 3 HO3 FUC 3 2.733 0.074 5.092 37 HO4 FUC 3 HO4 FUC 3 5.493 -1.434 5.128 Start of MODEL 6 1 H1 MAG 1 H1 MAG 1 8.350 5.783 1.375 2 H2 MAG 1 H2 MAG 1 5.326 5.434 1.211 3 H3 MAG 1 H3 MAG 1 7.457 3.424 2.036 4 H4 MAG 1 H4 MAG 1 5.625 3.449 -0.401 5 H5 MAG 1 H5 MAG 1 8.647 3.873 -0.242 6 H61 MAG 1 H61 MAG 1 7.997 2.762 -2.353 7 H62 MAG 1 H62 MAG 1 6.730 3.968 -2.621 8 H81 MAG 1 H81 MAG 1 6.212 7.204 5.300 9 H82 MAG 1 H82 MAG 1 5.515 5.621 5.717 10 H83 MAG 1 H83 MAG 1 4.457 7.034 5.521 11 HN2 MAG 1 HN2 MAG 1 7.083 5.442 3.640 12 HO6 MAG 1 HO6 MAG 1 8.457 5.587 -2.567 13 HM1 MAG 1 HM1 MAG 1 8.462 8.035 -0.510 14 HM2 MAG 1 HM2 MAG 1 7.989 9.305 0.635 15 HM3 MAG 1 HM3 MAG 1 9.124 8.038 1.140 16 H1 GAL 2 H1 GAL 2 5.979 1.525 -1.826 17 H2 GAL 2 H2 GAL 2 7.040 -0.744 -0.076 18 H3 GAL 2 H3 GAL 2 5.584 -1.017 -2.733 19 H4 GAL 2 H4 GAL 2 3.726 -2.063 -1.506 20 H5 GAL 2 H5 GAL 2 3.685 0.372 -1.956 21 H61 GAL 2 H61 GAL 2 2.537 -0.181 0.822 22 H62 GAL 2 H62 GAL 2 1.773 -0.677 -0.693 23 HO2 GAL 2 HO2 GAL 2 8.249 -1.125 -2.068 24 HO3 GAL 2 HO3 GAL 2 6.490 -2.995 -0.841 25 HO4 GAL 2 HO4 GAL 2 4.703 -2.853 0.360 26 HO6 GAL 2 HO6 GAL 2 0.995 1.380 0.054 27 H1 FUC 3 H1 FUC 3 6.076 3.267 4.148 28 H2 FUC 3 H2 FUC 3 4.519 1.838 5.284 29 H3 FUC 3 H3 FUC 3 3.566 0.898 2.533 30 H4 FUC 3 H4 FUC 3 4.512 -1.295 3.116 31 H5 FUC 3 H5 FUC 3 5.920 0.275 1.878 32 H61 FUC 3 H61 FUC 3 8.164 -0.554 2.354 33 H62 FUC 3 H62 FUC 3 7.014 -1.875 2.503 34 H63 FUC 3 H63 FUC 3 7.677 -1.114 3.947 35 HO2 FUC 3 HO2 FUC 3 3.298 3.294 3.134 36 HO3 FUC 3 HO3 FUC 3 1.987 0.981 4.319 37 HO4 FUC 3 HO4 FUC 3 4.332 -0.991 5.435 Start of MODEL 7 1 H1 MAG 1 H1 MAG 1 8.330 5.769 1.339 2 H2 MAG 1 H2 MAG 1 5.307 5.440 1.122 3 H3 MAG 1 H3 MAG 1 7.409 3.432 2.023 4 H4 MAG 1 H4 MAG 1 5.622 3.432 -0.448 5 H5 MAG 1 H5 MAG 1 8.643 3.826 -0.233 6 H61 MAG 1 H61 MAG 1 8.028 2.679 -2.336 7 H62 MAG 1 H62 MAG 1 6.780 3.892 -2.656 8 H81 MAG 1 H81 MAG 1 5.368 5.705 5.611 9 H82 MAG 1 H82 MAG 1 4.377 7.161 5.372 10 H83 MAG 1 H83 MAG 1 6.145 7.256 5.216 11 HN2 MAG 1 HN2 MAG 1 7.002 5.448 3.594 12 HO6 MAG 1 HO6 MAG 1 8.522 5.494 -2.595 13 HM1 MAG 1 HM1 MAG 1 8.500 7.984 -0.586 14 HM2 MAG 1 HM2 MAG 1 8.014 9.278 0.525 15 HM3 MAG 1 HM3 MAG 1 9.128 8.014 1.077 16 H1 GAL 2 H1 GAL 2 5.971 1.472 -1.828 17 H2 GAL 2 H2 GAL 2 6.959 -0.770 -0.008 18 H3 GAL 2 H3 GAL 2 5.537 -1.087 -2.681 19 H4 GAL 2 H4 GAL 2 3.646 -2.064 -1.456 20 H5 GAL 2 H5 GAL 2 3.644 0.361 -1.956 21 H61 GAL 2 H61 GAL 2 1.675 -0.545 -0.726 22 H62 GAL 2 H62 GAL 2 2.463 -0.173 0.813 23 HO2 GAL 2 HO2 GAL 2 8.363 -1.147 -1.751 24 HO3 GAL 2 HO3 GAL 2 7.005 -2.782 -2.238 25 HO4 GAL 2 HO4 GAL 2 4.904 -2.749 0.399 26 HO6 GAL 2 HO6 GAL 2 2.611 2.052 0.041 27 H1 FUC 3 H1 FUC 3 6.011 3.335 4.107 28 H2 FUC 3 H2 FUC 3 4.456 1.929 5.281 29 H3 FUC 3 H3 FUC 3 3.448 0.992 2.547 30 H4 FUC 3 H4 FUC 3 4.356 -1.216 3.173 31 H5 FUC 3 H5 FUC 3 5.803 0.310 1.910 32 H61 FUC 3 H61 FUC 3 6.855 -1.853 2.567 33 H62 FUC 3 H62 FUC 3 7.536 -1.079 3.997 34 H63 FUC 3 H63 FUC 3 8.026 -0.554 2.392 35 HO2 FUC 3 HO2 FUC 3 2.413 2.773 4.409 36 HO3 FUC 3 HO3 FUC 3 2.767 -0.045 5.130 37 HO4 FUC 3 HO4 FUC 3 5.564 -1.432 5.118 Start of MODEL 8 1 H1 MAG 1 H1 MAG 1 8.297 5.783 1.357 2 H2 MAG 1 H2 MAG 1 5.273 5.420 1.212 3 H3 MAG 1 H3 MAG 1 7.419 3.421 2.023 4 H4 MAG 1 H4 MAG 1 5.579 3.438 -0.406 5 H5 MAG 1 H5 MAG 1 8.597 3.877 -0.253 6 H61 MAG 1 H61 MAG 1 7.844 2.727 -2.355 7 H62 MAG 1 H62 MAG 1 6.709 4.051 -2.655 8 H81 MAG 1 H81 MAG 1 4.434 7.046 5.517 9 H82 MAG 1 H82 MAG 1 6.190 7.197 5.295 10 H83 MAG 1 H83 MAG 1 5.477 5.621 5.713 11 HN2 MAG 1 HN2 MAG 1 7.042 5.428 3.632 12 HO6 MAG 1 HO6 MAG 1 8.721 4.354 -3.773 13 HM1 MAG 1 HM1 MAG 1 9.062 8.042 1.109 14 HM2 MAG 1 HM2 MAG 1 8.382 8.036 -0.533 15 HM3 MAG 1 HM3 MAG 1 7.916 9.303 0.618 16 H1 GAL 2 H1 GAL 2 5.921 1.466 -1.811 17 H2 GAL 2 H2 GAL 2 6.888 -0.765 0.045 18 H3 GAL 2 H3 GAL 2 5.499 -1.062 -2.644 19 H4 GAL 2 H4 GAL 2 3.583 -2.017 -1.436 20 H5 GAL 2 H5 GAL 2 3.610 0.411 -1.907 21 H61 GAL 2 H61 GAL 2 1.627 -0.465 -0.692 22 H62 GAL 2 H62 GAL 2 2.422 -0.139 0.854 23 HO2 GAL 2 HO2 GAL 2 8.480 0.252 -1.286 24 HO3 GAL 2 HO3 GAL 2 7.074 -2.694 -1.992 25 HO4 GAL 2 HO4 GAL 2 4.824 -2.738 0.419 26 HO6 GAL 2 HO6 GAL 2 2.625 2.099 0.109 27 H1 FUC 3 H1 FUC 3 6.049 3.282 4.140 28 H2 FUC 3 H2 FUC 3 4.515 1.873 5.311 29 H3 FUC 3 H3 FUC 3 3.527 0.838 2.608 30 H4 FUC 3 H4 FUC 3 4.545 -1.317 3.212 31 H5 FUC 3 H5 FUC 3 5.890 0.271 1.916 32 H61 FUC 3 H61 FUC 3 7.712 -1.076 3.958 33 H62 FUC 3 H62 FUC 3 8.158 -0.522 2.351 34 H63 FUC 3 H63 FUC 3 7.032 -1.859 2.533 35 HO2 FUC 3 HO2 FUC 3 3.252 3.246 3.130 36 HO3 FUC 3 HO3 FUC 3 2.283 -0.609 3.921 37 HO4 FUC 3 HO4 FUC 3 4.410 -0.959 5.536 Start of MODEL 9 1 H1 MAG 1 H1 MAG 1 8.351 5.780 1.341 2 H2 MAG 1 H2 MAG 1 5.324 5.444 1.189 3 H3 MAG 1 H3 MAG 1 7.449 3.437 2.036 4 H4 MAG 1 H4 MAG 1 5.610 3.440 -0.395 5 H5 MAG 1 H5 MAG 1 8.635 3.843 -0.245 6 H61 MAG 1 H61 MAG 1 7.976 2.703 -2.339 7 H62 MAG 1 H62 MAG 1 6.717 3.912 -2.626 8 H81 MAG 1 H81 MAG 1 5.520 5.703 5.688 9 H82 MAG 1 H82 MAG 1 4.483 7.129 5.471 10 H83 MAG 1 H83 MAG 1 6.241 7.269 5.250 11 HN2 MAG 1 HN2 MAG 1 7.086 5.471 3.614 12 HO6 MAG 1 HO6 MAG 1 8.455 5.520 -2.597 13 HM1 MAG 1 HM1 MAG 1 9.135 8.029 1.071 14 HM2 MAG 1 HM2 MAG 1 8.471 8.003 -0.578 15 HM3 MAG 1 HM3 MAG 1 8.006 9.292 0.548 16 H1 GAL 2 H1 GAL 2 5.951 1.486 -1.796 17 H2 GAL 2 H2 GAL 2 6.963 -0.762 0.006 18 H3 GAL 2 H3 GAL 2 5.519 -1.072 -2.656 19 H4 GAL 2 H4 GAL 2 3.633 -2.043 -1.425 20 H5 GAL 2 H5 GAL 2 3.644 0.385 -1.916 21 H61 GAL 2 H61 GAL 2 1.699 -0.603 -0.649 22 H62 GAL 2 H62 GAL 2 2.462 -0.089 0.862 23 HO2 GAL 2 HO2 GAL 2 8.349 -1.131 -1.753 24 HO3 GAL 2 HO3 GAL 2 6.987 -2.769 -2.221 25 HO4 GAL 2 HO4 GAL 2 4.897 -2.737 0.423 26 HO6 GAL 2 HO6 GAL 2 0.958 1.485 0.048 27 H1 FUC 3 H1 FUC 3 6.073 3.320 4.156 28 H2 FUC 3 H2 FUC 3 4.525 1.919 5.326 29 H3 FUC 3 H3 FUC 3 3.538 0.897 2.617 30 H4 FUC 3 H4 FUC 3 4.535 -1.267 3.221 31 H5 FUC 3 H5 FUC 3 5.900 0.306 1.933 32 H61 FUC 3 H61 FUC 3 7.022 -1.830 2.556 33 H62 FUC 3 H62 FUC 3 7.702 -1.053 3.983 34 H63 FUC 3 H63 FUC 3 8.160 -0.503 2.377 35 HO2 FUC 3 HO2 FUC 3 3.273 3.301 3.142 36 HO3 FUC 3 HO3 FUC 3 2.278 -0.544 3.924 37 HO4 FUC 3 HO4 FUC 3 4.393 -0.912 5.544 Start of MODEL 10 1 H1 MAG 1 H1 MAG 1 8.313 5.792 1.325 2 H2 MAG 1 H2 MAG 1 5.289 5.417 1.185 3 H3 MAG 1 H3 MAG 1 7.450 3.431 1.992 4 H4 MAG 1 H4 MAG 1 5.597 3.440 -0.428 5 H5 MAG 1 H5 MAG 1 8.614 3.884 -0.286 6 H61 MAG 1 H61 MAG 1 7.858 2.731 -2.384 7 H62 MAG 1 H62 MAG 1 6.718 4.051 -2.681 8 H81 MAG 1 H81 MAG 1 4.438 7.046 5.484 9 H82 MAG 1 H82 MAG 1 6.197 7.188 5.284 10 H83 MAG 1 H83 MAG 1 5.470 5.612 5.671 11 HN2 MAG 1 HN2 MAG 1 7.048 5.415 3.611 12 HO6 MAG 1 HO6 MAG 1 8.725 4.358 -3.807 13 HM1 MAG 1 HM1 MAG 1 7.922 9.309 0.581 14 HM2 MAG 1 HM2 MAG 1 9.071 8.051 1.073 15 HM3 MAG 1 HM3 MAG 1 8.388 8.042 -0.569 16 H1 GAL 2 H1 GAL 2 5.935 1.468 -1.835 17 H2 GAL 2 H2 GAL 2 6.908 -0.763 0.018 18 H3 GAL 2 H3 GAL 2 5.511 -1.056 -2.668 19 H4 GAL 2 H4 GAL 2 3.601 -2.015 -1.454 20 H5 GAL 2 H5 GAL 2 3.617 0.412 -1.918 21 H61 GAL 2 H61 GAL 2 2.457 -0.136 0.856 22 H62 GAL 2 H62 GAL 2 1.649 -0.475 -0.681 23 HO2 GAL 2 HO2 GAL 2 8.497 0.254 -1.317 24 HO3 GAL 2 HO3 GAL 2 7.090 -2.690 -2.025 25 HO4 GAL 2 HO4 GAL 2 4.849 -2.740 0.393 26 HO6 GAL 2 HO6 GAL 2 2.632 2.097 0.113 27 H1 FUC 3 H1 FUC 3 6.122 3.287 4.111 28 H2 FUC 3 H2 FUC 3 4.617 1.860 5.322 29 H3 FUC 3 H3 FUC 3 3.527 0.934 2.620 30 H4 FUC 3 H4 FUC 3 4.476 -1.265 3.178 31 H5 FUC 3 H5 FUC 3 5.879 0.273 1.898 32 H61 FUC 3 H61 FUC 3 6.961 -1.885 2.520 33 H62 FUC 3 H62 FUC 3 7.664 -1.120 3.942 34 H63 FUC 3 H63 FUC 3 8.123 -0.581 2.334 35 HO2 FUC 3 HO2 FUC 3 2.545 2.694 4.534 36 HO3 FUC 3 HO3 FUC 3 2.240 -0.478 3.942 37 HO4 FUC 3 HO4 FUC 3 4.363 -0.945 5.508 Start of MODEL 11 1 H1 MAG 1 H1 MAG 1 8.379 5.706 1.337 2 H2 MAG 1 H2 MAG 1 5.349 5.410 1.154 3 H3 MAG 1 H3 MAG 1 7.440 3.371 2.013 4 H4 MAG 1 H4 MAG 1 5.630 3.403 -0.440 5 H5 MAG 1 H5 MAG 1 8.654 3.788 -0.274 6 H61 MAG 1 H61 MAG 1 7.977 2.677 -2.382 7 H62 MAG 1 H62 MAG 1 6.741 3.912 -2.657 8 H81 MAG 1 H81 MAG 1 5.463 5.650 5.642 9 H82 MAG 1 H82 MAG 1 4.494 7.122 5.422 10 H83 MAG 1 H83 MAG 1 6.260 7.191 5.248 11 HN2 MAG 1 HN2 MAG 1 7.070 5.374 3.608 12 HO6 MAG 1 HO6 MAG 1 8.506 5.487 -2.607 13 HM1 MAG 1 HM1 MAG 1 9.199 7.945 1.095 14 HM2 MAG 1 HM2 MAG 1 8.545 7.945 -0.559 15 HM3 MAG 1 HM3 MAG 1 8.091 9.230 0.576 16 H1 GAL 2 H1 GAL 2 5.998 1.427 -1.853 17 H2 GAL 2 H2 GAL 2 6.894 -0.814 0.026 18 H3 GAL 2 H3 GAL 2 5.579 -1.097 -2.702 19 H4 GAL 2 H4 GAL 2 3.626 -2.044 -1.546 20 H5 GAL 2 H5 GAL 2 3.673 0.381 -2.016 21 H61 GAL 2 H61 GAL 2 1.697 -0.596 -0.773 22 H62 GAL 2 H62 GAL 2 2.435 -0.059 0.742 23 HO2 GAL 2 HO2 GAL 2 8.530 0.192 -1.258 24 HO3 GAL 2 HO3 GAL 2 7.125 -2.741 -2.010 25 HO4 GAL 2 HO4 GAL 2 4.809 -2.772 0.341 26 HO6 GAL 2 HO6 GAL 2 0.956 1.509 -0.123 27 H1 FUC 3 H1 FUC 3 6.028 3.290 4.111 28 H2 FUC 3 H2 FUC 3 4.455 1.907 5.276 29 H3 FUC 3 H3 FUC 3 3.438 0.946 2.559 30 H4 FUC 3 H4 FUC 3 4.366 -1.252 3.154 31 H5 FUC 3 H5 FUC 3 5.799 0.301 1.894 32 H61 FUC 3 H61 FUC 3 6.854 -1.878 2.492 33 H62 FUC 3 H62 FUC 3 7.538 -1.146 3.941 34 H63 FUC 3 H63 FUC 3 8.029 -0.579 2.352 35 HO2 FUC 3 HO2 FUC 3 2.420 2.747 4.397 36 HO3 FUC 3 HO3 FUC 3 2.806 -0.108 5.146 37 HO4 FUC 3 HO4 FUC 3 5.791 -0.113 5.350 Start of MODEL 12 1 H1 MAG 1 H1 MAG 1 8.288 5.770 1.323 2 H2 MAG 1 H2 MAG 1 5.264 5.403 1.200 3 H3 MAG 1 H3 MAG 1 7.421 3.407 1.988 4 H4 MAG 1 H4 MAG 1 5.553 3.423 -0.420 5 H5 MAG 1 H5 MAG 1 8.572 3.866 -0.308 6 H61 MAG 1 H61 MAG 1 7.827 2.732 -2.403 7 H62 MAG 1 H62 MAG 1 6.626 4.003 -2.667 8 H81 MAG 1 H81 MAG 1 6.190 7.170 5.281 9 H82 MAG 1 H82 MAG 1 5.503 5.582 5.703 10 H83 MAG 1 H83 MAG 1 4.438 6.992 5.521 11 HN2 MAG 1 HN2 MAG 1 7.052 5.420 3.605 12 HO6 MAG 1 HO6 MAG 1 9.484 4.369 -2.528 13 HM1 MAG 1 HM1 MAG 1 9.047 8.032 1.073 14 HM2 MAG 1 HM2 MAG 1 8.350 8.030 -0.563 15 HM3 MAG 1 HM3 MAG 1 7.893 9.292 0.596 16 H1 GAL 2 H1 GAL 2 5.884 1.461 -1.833 17 H2 GAL 2 H2 GAL 2 6.897 -0.777 -0.011 18 H3 GAL 2 H3 GAL 2 5.475 -1.055 -2.686 19 H4 GAL 2 H4 GAL 2 3.586 -2.046 -1.459 20 H5 GAL 2 H5 GAL 2 3.574 0.386 -1.900 21 H61 GAL 2 H61 GAL 2 1.627 -0.529 -0.653 22 H62 GAL 2 H62 GAL 2 2.449 -0.207 0.880 23 HO2 GAL 2 HO2 GAL 2 8.465 0.264 -1.349 24 HO3 GAL 2 HO3 GAL 2 7.076 -2.680 -2.077 25 HO4 GAL 2 HO4 GAL 2 4.864 -2.778 0.366 26 HO6 GAL 2 HO6 GAL 2 2.611 2.040 0.149 27 H1 FUC 3 H1 FUC 3 6.085 3.250 4.118 28 H2 FUC 3 H2 FUC 3 4.557 1.834 5.299 29 H3 FUC 3 H3 FUC 3 3.549 0.849 2.585 30 H4 FUC 3 H4 FUC 3 4.522 -1.330 3.175 31 H5 FUC 3 H5 FUC 3 5.888 0.237 1.882 32 H61 FUC 3 H61 FUC 3 7.701 -1.123 3.923 33 H62 FUC 3 H62 FUC 3 8.149 -0.576 2.314 34 H63 FUC 3 H63 FUC 3 7.011 -1.901 2.502 35 HO2 FUC 3 HO2 FUC 3 3.290 3.259 3.157 36 HO3 FUC 3 HO3 FUC 3 2.010 0.948 4.403 37 HO4 FUC 3 HO4 FUC 3 4.397 -0.996 5.494 Start of MODEL 13 1 H1 MAG 1 H1 MAG 1 8.351 5.783 1.374 2 H2 MAG 1 H2 MAG 1 5.326 5.435 1.213 3 H3 MAG 1 H3 MAG 1 7.456 3.424 2.036 4 H4 MAG 1 H4 MAG 1 5.624 3.449 -0.400 5 H5 MAG 1 H5 MAG 1 8.646 3.874 -0.244 6 H61 MAG 1 H61 MAG 1 7.994 2.764 -2.355 7 H62 MAG 1 H62 MAG 1 6.726 3.969 -2.622 8 H81 MAG 1 H81 MAG 1 6.219 7.199 5.303 9 H82 MAG 1 H82 MAG 1 5.513 5.619 5.719 10 H83 MAG 1 H83 MAG 1 4.464 7.040 5.522 11 HN2 MAG 1 HN2 MAG 1 7.086 5.440 3.640 12 HO6 MAG 1 HO6 MAG 1 8.453 5.588 -2.568 13 HM1 MAG 1 HM1 MAG 1 8.460 8.035 -0.510 14 HM2 MAG 1 HM2 MAG 1 7.988 9.305 0.636 15 HM3 MAG 1 HM3 MAG 1 9.125 8.038 1.139 16 H1 GAL 2 H1 GAL 2 5.980 1.525 -1.826 17 H2 GAL 2 H2 GAL 2 7.042 -0.743 -0.077 18 H3 GAL 2 H3 GAL 2 5.586 -1.017 -2.733 19 H4 GAL 2 H4 GAL 2 3.730 -2.066 -1.507 20 H5 GAL 2 H5 GAL 2 3.686 0.369 -1.956 21 H61 GAL 2 H61 GAL 2 2.540 -0.185 0.822 22 H62 GAL 2 H62 GAL 2 1.776 -0.683 -0.693 23 HO2 GAL 2 HO2 GAL 2 8.252 -1.122 -2.068 24 HO3 GAL 2 HO3 GAL 2 6.496 -2.995 -0.843 25 HO4 GAL 2 HO4 GAL 2 4.709 -2.854 0.358 26 HO6 GAL 2 HO6 GAL 2 0.996 1.373 0.054 27 H1 FUC 3 H1 FUC 3 6.078 3.266 4.148 28 H2 FUC 3 H2 FUC 3 4.519 1.839 5.285 29 H3 FUC 3 H3 FUC 3 3.563 0.902 2.534 30 H4 FUC 3 H4 FUC 3 4.505 -1.292 3.115 31 H5 FUC 3 H5 FUC 3 5.917 0.275 1.878 32 H61 FUC 3 H61 FUC 3 8.159 -0.559 2.353 33 H62 FUC 3 H62 FUC 3 7.007 -1.877 2.503 34 H63 FUC 3 H63 FUC 3 7.670 -1.118 3.946 35 HO2 FUC 3 HO2 FUC 3 3.300 3.299 3.137 36 HO3 FUC 3 HO3 FUC 3 1.985 0.989 4.321 37 HO4 FUC 3 HO4 FUC 3 4.327 -0.989 5.435 Start of MODEL 14 1 H1 MAG 1 H1 MAG 1 8.376 5.755 1.289 2 H2 MAG 1 H2 MAG 1 5.349 5.415 1.162 3 H3 MAG 1 H3 MAG 1 7.490 3.413 1.982 4 H4 MAG 1 H4 MAG 1 5.623 3.414 -0.428 5 H5 MAG 1 H5 MAG 1 8.645 3.831 -0.325 6 H61 MAG 1 H61 MAG 1 7.938 2.708 -2.416 7 H62 MAG 1 H62 MAG 1 6.684 3.930 -2.668 8 H81 MAG 1 H81 MAG 1 5.537 5.646 5.647 9 H82 MAG 1 H82 MAG 1 4.528 7.095 5.448 10 H83 MAG 1 H83 MAG 1 6.289 7.207 5.246 11 HN2 MAG 1 HN2 MAG 1 7.114 5.413 3.586 12 HO6 MAG 1 HO6 MAG 1 8.433 5.524 -2.658 13 HM1 MAG 1 HM1 MAG 1 8.027 9.273 0.524 14 HM2 MAG 1 HM2 MAG 1 9.162 8.004 1.025 15 HM3 MAG 1 HM3 MAG 1 8.478 7.991 -0.616 16 H1 GAL 2 H1 GAL 2 5.980 1.434 -1.843 17 H2 GAL 2 H2 GAL 2 6.919 -0.791 0.035 18 H3 GAL 2 H3 GAL 2 5.556 -1.096 -2.668 19 H4 GAL 2 H4 GAL 2 3.624 -2.035 -1.476 20 H5 GAL 2 H5 GAL 2 3.663 0.387 -1.960 21 H61 GAL 2 H61 GAL 2 2.467 -0.039 0.820 22 H62 GAL 2 H62 GAL 2 1.705 -0.583 -0.682 23 HO2 GAL 2 HO2 GAL 2 8.528 0.213 -1.286 24 HO3 GAL 2 HO3 GAL 2 7.116 -2.732 -1.990 25 HO4 GAL 2 HO4 GAL 2 4.838 -2.753 0.397 26 HO6 GAL 2 HO6 GAL 2 0.975 1.526 -0.030 27 H1 FUC 3 H1 FUC 3 6.167 3.293 4.109 28 H2 FUC 3 H2 FUC 3 4.643 1.886 5.327 29 H3 FUC 3 H3 FUC 3 3.532 0.986 2.622 30 H4 FUC 3 H4 FUC 3 4.441 -1.231 3.179 31 H5 FUC 3 H5 FUC 3 5.877 0.277 1.903 32 H61 FUC 3 H61 FUC 3 6.918 -1.900 2.534 33 H62 FUC 3 H62 FUC 3 7.631 -1.143 3.957 34 H63 FUC 3 H63 FUC 3 8.104 -0.616 2.348 35 HO2 FUC 3 HO2 FUC 3 2.584 2.760 4.545 36 HO3 FUC 3 HO3 FUC 3 2.219 -0.405 3.942 37 HO4 FUC 3 HO4 FUC 3 4.328 -0.912 5.508 Start of MODEL 15 1 H1 MAG 1 H1 MAG 1 8.317 5.810 1.354 2 H2 MAG 1 H2 MAG 1 5.297 5.436 1.148 3 H3 MAG 1 H3 MAG 1 7.437 3.455 2.019 4 H4 MAG 1 H4 MAG 1 5.634 3.450 -0.440 5 H5 MAG 1 H5 MAG 1 8.651 3.886 -0.240 6 H61 MAG 1 H61 MAG 1 8.039 2.751 -2.351 7 H62 MAG 1 H62 MAG 1 6.770 3.948 -2.650 8 H81 MAG 1 H81 MAG 1 4.354 7.093 5.418 9 H82 MAG 1 H82 MAG 1 6.118 7.229 5.255 10 H83 MAG 1 H83 MAG 1 5.377 5.657 5.638 11 HN2 MAG 1 HN2 MAG 1 7.003 5.452 3.613 12 HO6 MAG 1 HO6 MAG 1 8.489 5.576 -2.584 13 HM1 MAG 1 HM1 MAG 1 7.943 9.322 0.576 14 HM2 MAG 1 HM2 MAG 1 9.079 8.069 1.111 15 HM3 MAG 1 HM3 MAG 1 8.442 8.045 -0.550 16 H1 GAL 2 H1 GAL 2 6.005 1.506 -1.843 17 H2 GAL 2 H2 GAL 2 7.030 -0.739 -0.043 18 H3 GAL 2 H3 GAL 2 5.606 -1.060 -2.711 19 H4 GAL 2 H4 GAL 2 3.724 -2.062 -1.486 20 H5 GAL 2 H5 GAL 2 3.691 0.365 -1.966 21 H61 GAL 2 H61 GAL 2 2.532 -0.201 0.806 22 H62 GAL 2 H62 GAL 2 1.739 -0.572 -0.732 23 HO2 GAL 2 HO2 GAL 2 8.261 -1.165 -2.001 24 HO3 GAL 2 HO3 GAL 2 5.757 -3.304 -2.172 25 HO4 GAL 2 HO4 GAL 2 4.998 -2.747 0.367 26 HO6 GAL 2 HO6 GAL 2 2.650 2.031 0.047 27 H1 FUC 3 H1 FUC 3 6.065 3.310 4.111 28 H2 FUC 3 H2 FUC 3 4.543 1.869 5.285 29 H3 FUC 3 H3 FUC 3 3.523 0.957 2.550 30 H4 FUC 3 H4 FUC 3 4.458 -1.248 3.123 31 H5 FUC 3 H5 FUC 3 5.879 0.303 1.882 32 H61 FUC 3 H61 FUC 3 7.626 -1.092 3.953 33 H62 FUC 3 H62 FUC 3 8.115 -0.544 2.357 34 H63 FUC 3 H63 FUC 3 6.954 -1.854 2.514 35 HO2 FUC 3 HO2 FUC 3 2.476 2.702 4.438 36 HO3 FUC 3 HO3 FUC 3 2.781 0.110 5.212 37 HO4 FUC 3 HO4 FUC 3 4.417 -1.261 5.366 Start of MODEL 16 1 H1 MAG 1 H1 MAG 1 8.714 5.527 1.377 2 H2 MAG 1 H2 MAG 1 5.678 5.438 1.136 3 H3 MAG 1 H3 MAG 1 7.662 3.312 2.029 4 H4 MAG 1 H4 MAG 1 5.881 3.442 -0.441 5 H5 MAG 1 H5 MAG 1 8.921 3.617 -0.229 6 H61 MAG 1 H61 MAG 1 8.195 2.555 -2.349 7 H62 MAG 1 H62 MAG 1 7.059 3.880 -2.642 8 H81 MAG 1 H81 MAG 1 5.773 5.575 5.645 9 H82 MAG 1 H82 MAG 1 4.729 6.999 5.448 10 H83 MAG 1 H83 MAG 1 6.489 7.160 5.269 11 HN2 MAG 1 HN2 MAG 1 7.375 5.391 3.606 12 HO6 MAG 1 HO6 MAG 1 8.945 5.317 -2.551 13 HM1 MAG 1 HM1 MAG 1 5.657 7.676 0.827 14 HM2 MAG 1 HM2 MAG 1 6.691 9.048 0.405 15 HM3 MAG 1 HM3 MAG 1 6.526 7.691 -0.722 16 H1 GAL 2 H1 GAL 2 6.092 1.445 -1.829 17 H2 GAL 2 H2 GAL 2 6.843 -0.851 0.046 18 H3 GAL 2 H3 GAL 2 5.488 -1.042 -2.671 19 H4 GAL 2 H4 GAL 2 3.482 -1.846 -1.498 20 H5 GAL 2 H5 GAL 2 3.697 0.570 -1.968 21 H61 GAL 2 H61 GAL 2 1.638 -0.158 -0.772 22 H62 GAL 2 H62 GAL 2 2.436 0.125 0.781 23 HO2 GAL 2 HO2 GAL 2 8.536 0.032 -1.250 24 HO3 GAL 2 HO3 GAL 2 6.919 -2.791 -1.989 25 HO4 GAL 2 HO4 GAL 2 4.628 -2.659 0.379 26 HO6 GAL 2 HO6 GAL 2 2.799 2.334 0.038 27 H1 FUC 3 H1 FUC 3 6.289 3.266 4.113 28 H2 FUC 3 H2 FUC 3 4.669 1.949 5.298 29 H3 FUC 3 H3 FUC 3 3.561 1.100 2.577 30 H4 FUC 3 H4 FUC 3 4.343 -1.161 3.154 31 H5 FUC 3 H5 FUC 3 5.872 0.273 1.898 32 H61 FUC 3 H61 FUC 3 6.789 -1.955 2.540 33 H62 FUC 3 H62 FUC 3 7.520 -1.238 3.973 34 H63 FUC 3 H63 FUC 3 8.043 -0.735 2.372 35 HO2 FUC 3 HO2 FUC 3 2.673 2.925 4.475 36 HO3 FUC 3 HO3 FUC 3 2.155 -0.216 3.877 37 HO4 FUC 3 HO4 FUC 3 4.213 -0.830 5.481 Start of MODEL 17 1 H1 MAG 1 H1 MAG 1 8.301 5.794 1.349 2 H2 MAG 1 H2 MAG 1 5.280 5.417 1.200 3 H3 MAG 1 H3 MAG 1 7.437 3.429 2.007 4 H4 MAG 1 H4 MAG 1 5.584 3.444 -0.413 5 H5 MAG 1 H5 MAG 1 8.604 3.885 -0.273 6 H61 MAG 1 H61 MAG 1 7.947 2.772 -2.382 7 H62 MAG 1 H62 MAG 1 6.672 3.972 -2.642 8 H81 MAG 1 H81 MAG 1 4.402 6.976 5.523 9 H82 MAG 1 H82 MAG 1 6.150 7.198 5.287 10 H83 MAG 1 H83 MAG 1 5.503 5.593 5.705 11 HN2 MAG 1 HN2 MAG 1 7.051 5.446 3.619 12 HO6 MAG 1 HO6 MAG 1 8.391 5.599 -2.595 13 HM1 MAG 1 HM1 MAG 1 7.902 9.313 0.617 14 HM2 MAG 1 HM2 MAG 1 9.053 8.057 1.113 15 HM3 MAG 1 HM3 MAG 1 8.381 8.049 -0.532 16 H1 GAL 2 H1 GAL 2 5.918 1.521 -1.836 17 H2 GAL 2 H2 GAL 2 7.008 -0.742 -0.099 18 H3 GAL 2 H3 GAL 2 5.502 -1.026 -2.726 19 H4 GAL 2 H4 GAL 2 3.669 -2.070 -1.457 20 H5 GAL 2 H5 GAL 2 3.617 0.363 -1.916 21 H61 GAL 2 H61 GAL 2 1.694 -0.588 -0.657 22 H62 GAL 2 H62 GAL 2 2.521 -0.254 0.871 23 HO2 GAL 2 HO2 GAL 2 8.179 -1.132 -2.111 24 HO3 GAL 2 HO3 GAL 2 6.445 -2.999 -0.847 25 HO4 GAL 2 HO4 GAL 2 4.683 -2.851 0.391 26 HO6 GAL 2 HO6 GAL 2 2.635 1.998 0.141 27 H1 FUC 3 H1 FUC 3 6.099 3.252 4.128 28 H2 FUC 3 H2 FUC 3 4.578 1.815 5.296 29 H3 FUC 3 H3 FUC 3 3.576 0.852 2.571 30 H4 FUC 3 H4 FUC 3 4.559 -1.328 3.141 31 H5 FUC 3 H5 FUC 3 5.920 0.257 1.864 32 H61 FUC 3 H61 FUC 3 7.050 -1.881 2.464 33 H62 FUC 3 H62 FUC 3 7.738 -1.113 3.891 34 H63 FUC 3 H63 FUC 3 8.182 -0.549 2.287 35 HO2 FUC 3 HO2 FUC 3 3.305 3.255 3.167 36 HO3 FUC 3 HO3 FUC 3 2.036 0.925 4.389 37 HO4 FUC 3 HO4 FUC 3 4.431 -1.018 5.463 Start of MODEL 18 1 H1 MAG 1 H1 MAG 1 8.325 5.782 1.328 2 H2 MAG 1 H2 MAG 1 5.302 5.419 1.166 3 H3 MAG 1 H3 MAG 1 7.449 3.428 2.000 4 H4 MAG 1 H4 MAG 1 5.614 3.433 -0.436 5 H5 MAG 1 H5 MAG 1 8.632 3.864 -0.271 6 H61 MAG 1 H61 MAG 1 7.887 2.704 -2.370 7 H62 MAG 1 H62 MAG 1 6.756 4.028 -2.683 8 H81 MAG 1 H81 MAG 1 6.192 7.199 5.265 9 H82 MAG 1 H82 MAG 1 5.438 5.634 5.653 10 H83 MAG 1 H83 MAG 1 4.429 7.082 5.448 11 HN2 MAG 1 HN2 MAG 1 7.042 5.422 3.606 12 HO6 MAG 1 HO6 MAG 1 8.774 4.321 -3.793 13 HM1 MAG 1 HM1 MAG 1 8.424 8.022 -0.577 14 HM2 MAG 1 HM2 MAG 1 7.954 9.297 0.563 15 HM3 MAG 1 HM3 MAG 1 9.095 8.038 1.070 16 H1 GAL 2 H1 GAL 2 5.954 1.452 -1.830 17 H2 GAL 2 H2 GAL 2 6.904 -0.773 0.041 18 H3 GAL 2 H3 GAL 2 5.525 -1.074 -2.655 19 H4 GAL 2 H4 GAL 2 3.601 -2.018 -1.450 20 H5 GAL 2 H5 GAL 2 3.633 0.407 -1.926 21 H61 GAL 2 H61 GAL 2 2.448 -0.123 0.842 22 H62 GAL 2 H62 GAL 2 1.651 -0.466 -0.699 23 HO2 GAL 2 HO2 GAL 2 8.506 0.230 -1.286 24 HO3 GAL 2 HO3 GAL 2 7.092 -2.710 -1.991 25 HO4 GAL 2 HO4 GAL 2 4.833 -2.739 0.411 26 HO6 GAL 2 HO6 GAL 2 2.640 2.105 0.091 27 H1 FUC 3 H1 FUC 3 6.102 3.299 4.109 28 H2 FUC 3 H2 FUC 3 4.584 1.883 5.315 29 H3 FUC 3 H3 FUC 3 3.513 0.947 2.608 30 H4 FUC 3 H4 FUC 3 4.452 -1.252 3.185 31 H5 FUC 3 H5 FUC 3 5.868 0.275 1.909 32 H61 FUC 3 H61 FUC 3 6.939 -1.882 2.548 33 H62 FUC 3 H62 FUC 3 7.633 -1.112 3.972 34 H63 FUC 3 H63 FUC 3 8.106 -0.582 2.365 35 HO2 FUC 3 HO2 FUC 3 2.521 2.719 4.505 36 HO3 FUC 3 HO3 FUC 3 2.212 -0.455 3.927 37 HO4 FUC 3 HO4 FUC 3 4.321 -0.920 5.512 Start of MODEL 19 1 H1 MAG 1 H1 MAG 1 8.311 5.745 1.332 2 H2 MAG 1 H2 MAG 1 5.286 5.388 1.183 3 H3 MAG 1 H3 MAG 1 7.429 3.389 2.004 4 H4 MAG 1 H4 MAG 1 5.583 3.395 -0.420 5 H5 MAG 1 H5 MAG 1 8.602 3.835 -0.295 6 H61 MAG 1 H61 MAG 1 7.911 2.720 -2.398 7 H62 MAG 1 H62 MAG 1 6.654 3.938 -2.650 8 H81 MAG 1 H81 MAG 1 4.422 7.000 5.488 9 H82 MAG 1 H82 MAG 1 6.175 7.181 5.262 10 H83 MAG 1 H83 MAG 1 5.490 5.594 5.686 11 HN2 MAG 1 HN2 MAG 1 7.052 5.414 3.606 12 HO6 MAG 1 HO6 MAG 1 8.395 5.540 -2.618 13 HM1 MAG 1 HM1 MAG 1 8.405 7.996 -0.557 14 HM2 MAG 1 HM2 MAG 1 7.938 9.266 0.590 15 HM3 MAG 1 HM3 MAG 1 9.080 8.003 1.089 16 H1 GAL 2 H1 GAL 2 5.935 1.429 -1.827 17 H2 GAL 2 H2 GAL 2 6.926 -0.801 0.018 18 H3 GAL 2 H3 GAL 2 5.536 -1.094 -2.672 19 H4 GAL 2 H4 GAL 2 3.634 -2.081 -1.464 20 H5 GAL 2 H5 GAL 2 3.625 0.349 -1.917 21 H61 GAL 2 H61 GAL 2 2.468 -0.229 0.852 22 H62 GAL 2 H62 GAL 2 1.665 -0.563 -0.688 23 HO2 GAL 2 HO2 GAL 2 8.509 0.236 -1.307 24 HO3 GAL 2 HO3 GAL 2 7.132 -2.714 -2.037 25 HO4 GAL 2 HO4 GAL 2 4.891 -2.801 0.380 26 HO6 GAL 2 HO6 GAL 2 2.634 2.014 0.109 27 H1 FUC 3 H1 FUC 3 6.068 3.248 4.122 28 H2 FUC 3 H2 FUC 3 4.522 1.840 5.291 29 H3 FUC 3 H3 FUC 3 3.544 0.847 2.568 30 H4 FUC 3 H4 FUC 3 4.504 -1.332 3.178 31 H5 FUC 3 H5 FUC 3 5.890 0.227 1.897 32 H61 FUC 3 H61 FUC 3 8.143 -0.591 2.358 33 H62 FUC 3 H62 FUC 3 6.999 -1.912 2.538 34 H63 FUC 3 H63 FUC 3 7.676 -1.130 3.964 35 HO2 FUC 3 HO2 FUC 3 3.284 3.259 3.129 36 HO3 FUC 3 HO3 FUC 3 1.984 0.957 4.368 37 HO4 FUC 3 HO4 FUC 3 4.352 -0.989 5.494 Start of MODEL 20 1 H1 MAG 1 H1 MAG 1 8.324 5.746 1.364 2 H2 MAG 1 H2 MAG 1 5.302 5.419 1.131 3 H3 MAG 1 H3 MAG 1 7.399 3.405 2.032 4 H4 MAG 1 H4 MAG 1 5.622 3.422 -0.445 5 H5 MAG 1 H5 MAG 1 8.643 3.808 -0.214 6 H61 MAG 1 H61 MAG 1 8.036 2.671 -2.326 7 H62 MAG 1 H62 MAG 1 6.791 3.886 -2.646 8 H81 MAG 1 H81 MAG 1 4.356 7.136 5.377 9 H82 MAG 1 H82 MAG 1 6.123 7.230 5.228 10 H83 MAG 1 H83 MAG 1 5.343 5.679 5.621 11 HN2 MAG 1 HN2 MAG 1 6.985 5.421 3.610 12 HO6 MAG 1 HO6 MAG 1 8.535 5.487 -2.570 13 HM1 MAG 1 HM1 MAG 1 8.505 7.968 -0.549 14 HM2 MAG 1 HM2 MAG 1 8.014 9.259 0.564 15 HM3 MAG 1 HM3 MAG 1 9.125 7.990 1.116 16 H1 GAL 2 H1 GAL 2 5.967 1.472 -1.836 17 H2 GAL 2 H2 GAL 2 6.947 -0.786 -0.030 18 H3 GAL 2 H3 GAL 2 5.525 -1.082 -2.706 19 H4 GAL 2 H4 GAL 2 3.631 -2.062 -1.489 20 H5 GAL 2 H5 GAL 2 3.636 0.366 -1.974 21 H61 GAL 2 H61 GAL 2 2.449 -0.183 0.790 22 H62 GAL 2 H62 GAL 2 1.662 -0.541 -0.754 23 HO2 GAL 2 HO2 GAL 2 8.350 -1.155 -1.777 24 HO3 GAL 2 HO3 GAL 2 6.989 -2.783 -2.273 25 HO4 GAL 2 HO4 GAL 2 4.886 -2.760 0.363 26 HO6 GAL 2 HO6 GAL 2 2.607 2.048 0.037 27 H1 FUC 3 H1 FUC 3 5.976 3.314 4.113 28 H2 FUC 3 H2 FUC 3 4.426 1.913 5.277 29 H3 FUC 3 H3 FUC 3 3.430 0.914 2.568 30 H4 FUC 3 H4 FUC 3 4.401 -1.262 3.173 31 H5 FUC 3 H5 FUC 3 5.796 0.319 1.900 32 H61 FUC 3 H61 FUC 3 6.895 -1.838 2.492 33 H62 FUC 3 H62 FUC 3 7.572 -1.093 3.936 34 H63 FUC 3 H63 FUC 3 8.044 -0.517 2.345 35 HO2 FUC 3 HO2 FUC 3 2.377 2.707 4.387 36 HO3 FUC 3 HO3 FUC 3 2.823 -0.138 5.162 37 HO4 FUC 3 HO4 FUC 3 5.813 -0.083 5.355