*HEADER TOXIN 21-AUG-11 SMS21014 *TITLE SOLUTION STRUCTURE OF CONOTOXIN LT14A *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ALPHA-CONOTOXIN LT14.1; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: ALPHA-L-CONOTOXIN LT14A; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS LITTERATUS; *SOURCE 4 ORGANISM_COMMON: LETTERED CONE; *SOURCE 5 ORGANISM_TAXID: 89445 *KEYWDS LT14A, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR B.ZHANG, F.HUANG, W.DU 1 MET HA 1 MET QB 4.12 #peak 1 1 MET HA 2 CYS H 2.83 #peak 3 1 MET QB 2 CYS H 4.43 #peak 4 2 CYS HA 2 CYS HB2 2.96 #peak 8 2 CYS H 2 CYS HA 4.63 #peak 9 2 CYS HA 5 LEU H 3.17 #peak 10 2 CYS H 2 CYS HB2 2.59 #peak 11 2 CYS H 2 CYS HB3 2.99 #peak 12 4 PRO HA 4 PRO HB2 2.40 #peak 15 4 PRO HA 4 PRO HB3 2.80 #peak 16 4 PRO HA 5 LEU H 2.62 #peak 18 5 LEU H 5 LEU HA 2.40 #peak 20 5 LEU HA 5 LEU QB 4.06 #peak 21 5 LEU HA 6 CYS H 2.74 #peak 24 5 LEU H 5 LEU QB 4.68 #peak 26 6 CYS HA 6 CYS HB2 2.40 #peak 31 6 CYS HA 6 CYS HB3 2.40 #peak 32 6 CYS H 6 CYS HA 3.39 #peak 33 6 CYS HA 7 LYS H 2.46 #peak 34 6 CYS HB2 7 LYS H 3.61 #peak 36 6 CYS H 6 CYS HB3 3.14 #peak 37 7 LYS H 7 LYS HA 3.55 #peak 38 7 LYS HA 7 LYS QB 3.28 #peak 39 5 LEU H 7 LYS QB 4.33 #peak 44 7 LYS H 7 LYS QB 3.28 #peak 45 8 PRO HA 9 SER H 2.77 #peak 54 9 SER H 9 SER HA 2.55 #peak 56 9 SER HA 10 CYS H 2.96 #peak 57 9 SER HA 11 THR H 2.68 #peak 58 9 SER H 10 CYS H 4.38 #peak 61 9 SER H 9 SER QB 4.68 #peak 62 9 SER QB 10 CYS H 5.20 #peak 63 10 CYS HA 10 CYS QB 3.28 #peak 64 10 CYS H 10 CYS HA 3.42 #peak 65 10 CYS HA 11 THR H 2.90 #peak 66 10 CYS H 10 CYS QB 4.74 #peak 67 10 CYS QB 11 THR H 5.45 #peak 68 11 THR H 11 THR HA 2.65 #peak 71 11 THR HA 12 ASN H 3.36 #peak 73 11 THR H 11 THR HB 2.65 #peak 74 11 THR HB 12 ASN H 3.64 #peak 76 11 THR H 12 ASN H 4.04 #peak 77 12 ASN H 12 ASN HA 2.40 #peak 81 12 ASN HA 12 ASN QB 4.12 #peak 82 12 ASN HA 13 CYS H 3.42 #peak 83 12 ASN H 13 CYS H 3.86 #peak 84 12 ASN H 12 ASN QB 5.05 #peak 87 13 CYS H 13 CYS HA 2.62 #peak 88 10 CYS H 13 CYS QB 3.99 #peak 89 13 CYS H 13 CYS QB 4.58 #peak 90 9 SER HA 9 SER QB 4.96 #peak 91 8 PRO HA 8 PRO HB2 2.90 #peak 118 8 PRO HA 8 PRO HB3 2.65 #peak 120 3 PRO HA 3 PRO HB2 3.83 #peak 132 2 CYS HB2 6 CYS HA 2.80 #peak 134 1 MET HA 1 MET QG 5.89 #peak 2 1 MET QG 2 CYS H 3.28 #peak 7 4 PRO HA 4 PRO QG 4.56 #peak 17 5 LEU HA 5 LEU HG 3.83 #peak 19 5 LEU H 5 LEU HG 2.40 #peak 25 6 CYS HB2 6 CYS HB3 2.40 #peak 35 7 LYS HA 7 LYS QD 3.28 #peak 40 7 LYS HA 7 LYS QG 5.70 #peak 41 7 LYS HA 8 PRO HD2 3.24 #peak 42 7 LYS HA 8 PRO HD3 3.64 #peak 43 7 LYS QB 7 LYS QE 7.26 #peak 48 7 LYS QG 7 LYS QE 7.14 #peak 49 7 LYS H 7 LYS QG 6.32 #peak 51 7 LYS QG 7 LYS QZ 7.36 #peak 53 8 PRO HD2 8 PRO QG 4.16 #peak 55 12 ASN QB 12 ASN HD21 6.07 #peak 85 12 ASN QB 12 ASN HD22 6.38 #peak 86 7 LYS QE 7 LYS QZ 4.69 #peak 94 7 LYS QD 7 LYS QZ 7.36 #peak 95 2 CYS HB3 2 CYS HB2 2.40 #peak 105 7 LYS H 7 LYS QD 3.90 #peak 111 8 PRO HA 8 PRO QG 4.65 #peak 119 8 PRO HD3 8 PRO HB3 2.40 #peak 121 8 PRO HD2 8 PRO HB3 2.40 #peak 122 8 PRO HD2 8 PRO HB2 3.30 #peak 123 8 PRO HB3 8 PRO HB2 2.40 #peak 125 4 PRO QD 5 LEU H 4.93 #peak 126 2 CYS HB2 13 CYS QB 3.81 #peak 127 8 PRO HD3 8 PRO QG 3.29 #peak 129 1 MET QB 1 MET QG 4.16 #peak 130 7 LYS QD 7 LYS QE 5.68 #peak 133 5 LEU HA 5 LEU QD1 4.01 #peak 22 5 LEU HA 5 LEU QD2 3.42 #peak 23 5 LEU QD1 5 LEU HG 3.42 #peak 27 5 LEU QB 5 LEU QD1 4.30 #peak 28 5 LEU QD2 5 LEU HG 3.42 #peak 29 5 LEU QB 5 LEU QD2 4.30 #peak 30 11 THR HA 11 THR QG2 4.44 #peak 72 11 THR HB 11 THR QG2 4.29 #peak 75 11 THR H 11 THR QG2 6.49 #peak 113 1 MET QG 4 PRO QD 5.00 #peak 150 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HN MET 1 1.367 -0.912 0.508 2 H2 MET 1 2HN MET 1 0.000 0.000 0.000 3 H3 MET 1 3HN MET 1 1.436 0.000 -0.990 4 HA MET 1 HA MET 1 0.912 1.406 1.555 5 HB2 MET 1 2HB MET 1 3.101 -0.119 1.595 6 HB3 MET 1 3HB MET 1 3.773 1.144 0.551 7 HG2 MET 1 2HG MET 1 3.942 2.684 2.360 8 HG3 MET 1 3HG MET 1 2.373 2.180 3.006 9 HE1 MET 1 3HE MET 1 6.258 1.495 3.346 10 HE2 MET 1 1HE MET 1 6.303 -0.010 4.330 11 HE3 MET 1 2HE MET 1 5.817 -0.070 2.611 12 H CYS 2 H CYS 2 0.658 3.563 1.125 13 HA CYS 2 HA CYS 2 1.503 4.482 -1.545 14 HB2 CYS 2 2HB CYS 2 -0.780 5.671 0.020 15 HB3 CYS 2 3HB CYS 2 -0.420 5.851 -1.694 16 HA PRO 3 HA PRO 3 3.714 6.958 1.737 17 HB2 PRO 3 2HB PRO 3 6.183 6.674 0.646 18 HB3 PRO 3 3HB PRO 3 5.498 5.512 1.789 19 HG2 PRO 3 2HG PRO 3 5.640 5.372 -1.198 20 HG3 PRO 3 3HG PRO 3 5.950 4.100 -0.002 21 HD2 PRO 3 2HD PRO 3 3.617 4.281 -1.365 22 HD3 PRO 3 3HD PRO 3 3.708 3.658 0.295 23 HA PRO 4 HA PRO 4 4.956 9.439 -2.293 24 HB2 PRO 4 2HB PRO 4 3.387 8.851 -4.429 25 HB3 PRO 4 3HB PRO 4 4.928 8.042 -4.117 26 HG2 PRO 4 2HG PRO 4 2.145 7.110 -3.525 27 HG3 PRO 4 3HG PRO 4 3.511 6.200 -4.195 28 HD2 PRO 4 2HD PRO 4 2.786 6.033 -1.592 29 HD3 PRO 4 3HD PRO 4 4.472 5.874 -2.126 30 H LEU 5 H LEU 5 1.720 8.469 -1.401 31 HA LEU 5 HA LEU 5 0.856 11.032 -0.749 32 HB2 LEU 5 2HB LEU 5 -0.884 11.226 -2.636 33 HB3 LEU 5 3HB LEU 5 0.772 11.744 -2.945 34 HG LEU 5 HG LEU 5 0.534 9.009 -3.702 35 HD11 LEU 5 1HD1 LEU 5 -1.916 9.637 -3.812 36 HD12 LEU 5 2HD1 LEU 5 -1.200 9.010 -5.296 37 HD13 LEU 5 3HD1 LEU 5 -1.475 10.742 -5.113 38 HD21 LEU 5 3HD2 LEU 5 0.606 11.080 -5.786 39 HD22 LEU 5 1HD2 LEU 5 1.707 9.738 -5.475 40 HD23 LEU 5 2HD2 LEU 5 1.845 11.226 -4.538 41 H CYS 6 H CYS 6 -0.514 10.548 0.821 42 HA CYS 6 HA CYS 6 -1.925 8.049 0.888 43 HB2 CYS 6 2HB CYS 6 -1.007 9.120 2.928 44 HB3 CYS 6 3HB CYS 6 -2.161 10.435 2.734 45 H LYS 7 H LYS 7 -3.035 8.589 -1.216 46 HA LYS 7 HA LYS 7 -5.251 10.451 -1.020 47 HB2 LYS 7 2HB LYS 7 -3.829 9.070 -3.150 48 HB3 LYS 7 3HB LYS 7 -5.573 8.977 -3.359 49 HG2 LYS 7 2HG LYS 7 -4.966 10.897 -4.519 50 HG3 LYS 7 3HG LYS 7 -5.566 11.508 -2.975 51 HD2 LYS 7 2HD LYS 7 -2.866 11.063 -2.526 52 HD3 LYS 7 3HD LYS 7 -2.927 11.728 -4.160 53 HE2 LYS 7 2HE LYS 7 -4.571 13.449 -3.039 54 HE3 LYS 7 3HE LYS 7 -3.731 12.961 -1.568 55 HZ1 LYS 7 3HZ LYS 7 -2.233 14.485 -2.143 56 HZ2 LYS 7 1HZ LYS 7 -2.821 14.619 -3.724 57 HZ3 LYS 7 2HZ LYS 7 -1.717 13.399 -3.334 58 HA PRO 8 HA PRO 8 -8.419 7.632 0.102 59 HB2 PRO 8 2HB PRO 8 -10.492 8.421 -1.464 60 HB3 PRO 8 3HB PRO 8 -9.909 9.371 -0.093 61 HG2 PRO 8 2HG PRO 8 -9.335 9.708 -3.011 62 HG3 PRO 8 3HG PRO 8 -9.701 10.943 -1.793 63 HD2 PRO 8 2HD PRO 8 -7.179 10.424 -2.630 64 HD3 PRO 8 3HD PRO 8 -7.546 10.956 -0.976 65 H SER 9 H SER 9 -9.197 5.641 -0.415 66 HA SER 9 HA SER 9 -9.519 3.707 -1.568 67 HB2 SER 9 2HB SER 9 -10.979 5.341 -2.933 68 HB3 SER 9 3HB SER 9 -9.671 5.306 -4.116 69 HG SER 9 HG SER 9 -11.603 3.631 -4.004 70 H CYS 10 H CYS 10 -6.877 4.516 -1.078 71 HA CYS 10 HA CYS 10 -5.393 3.867 -3.511 72 HB2 CYS 10 2HB CYS 10 -4.750 5.777 -1.934 73 HB3 CYS 10 3HB CYS 10 -4.215 4.527 -0.815 74 H THR 11 H THR 11 -6.925 2.136 -1.270 75 HA THR 11 HA THR 11 -6.826 -0.044 -0.612 76 HB THR 11 HB THR 11 -4.352 -0.433 -2.278 77 HG1 THR 11 HG1 THR 11 -7.057 -0.284 -3.166 78 HG21 THR 11 3HG2 THR 11 -4.696 -2.555 -1.694 79 HG22 THR 11 1HG2 THR 11 -6.221 -2.512 -2.577 80 HG23 THR 11 2HG2 THR 11 -6.187 -2.124 -0.857 81 H ASN 12 H ASN 12 -4.900 2.233 0.379 82 HA ASN 12 HA ASN 12 -3.766 0.664 2.495 83 HB2 ASN 12 2HB ASN 12 -2.167 0.834 0.287 84 HB3 ASN 12 3HB ASN 12 -1.634 2.238 1.208 85 HD21 ASN 12 1HD2 ASN 12 -1.091 1.830 3.500 86 HD22 ASN 12 2HD2 ASN 12 -0.306 0.341 3.891 87 H CYS 13 H CYS 13 -5.549 2.997 1.976 88 HA CYS 13 HA CYS 13 -4.580 4.647 4.119 89 HB2 CYS 13 2HB CYS 13 -4.169 5.462 1.357 90 HB3 CYS 13 3HB CYS 13 -5.147 6.627 2.244 91 HN1 NH2 14 2HN NH2 14 -7.849 6.030 4.466 92 HN2 NH2 14 1HN NH2 14 -6.180 6.280 4.849 Start of MODEL 2 1 H1 MET 1 1HN MET 1 1.344 -0.873 0.476 2 H2 MET 1 2HN MET 1 0.052 0.081 -0.139 3 H3 MET 1 3HN MET 1 1.543 -0.013 -1.040 4 HA MET 1 HA MET 1 0.983 1.436 1.487 5 HB2 MET 1 2HB MET 1 3.237 -0.111 1.326 6 HB3 MET 1 3HB MET 1 3.831 1.342 0.506 7 HG2 MET 1 2HG MET 1 4.126 2.395 2.587 8 HG3 MET 1 3HG MET 1 2.404 2.163 2.927 9 HE1 MET 1 3HE MET 1 5.958 0.002 4.190 10 HE2 MET 1 1HE MET 1 5.581 1.750 4.388 11 HE3 MET 1 2HE MET 1 5.218 0.594 5.702 12 H CYS 2 H CYS 2 0.769 3.608 1.087 13 HA CYS 2 HA CYS 2 1.538 4.522 -1.608 14 HB2 CYS 2 2HB CYS 2 -0.667 5.762 0.025 15 HB3 CYS 2 3HB CYS 2 -0.374 5.900 -1.706 16 HA PRO 3 HA PRO 3 3.889 6.956 1.607 17 HB2 PRO 3 2HB PRO 3 6.319 6.636 0.438 18 HB3 PRO 3 3HB PRO 3 5.652 5.483 1.600 19 HG2 PRO 3 2HG PRO 3 5.697 5.347 -1.390 20 HG3 PRO 3 3HG PRO 3 6.026 4.068 -0.207 21 HD2 PRO 3 2HD PRO 3 3.654 4.288 -1.495 22 HD3 PRO 3 3HD PRO 3 3.787 3.660 0.160 23 HA PRO 4 HA PRO 4 5.042 9.426 -2.456 24 HB2 PRO 4 2HB PRO 4 3.398 8.867 -4.542 25 HB3 PRO 4 3HB PRO 4 4.935 8.034 -4.280 26 HG2 PRO 4 2HG PRO 4 2.158 7.144 -3.603 27 HG3 PRO 4 3HG PRO 4 3.488 6.214 -4.317 28 HD2 PRO 4 2HD PRO 4 2.843 6.052 -1.692 29 HD3 PRO 4 3HD PRO 4 4.509 5.869 -2.279 30 H LEU 5 H LEU 5 1.817 8.502 -1.473 31 HA LEU 5 HA LEU 5 1.011 11.069 -0.776 32 HB2 LEU 5 2HB LEU 5 -0.766 11.323 -2.616 33 HB3 LEU 5 3HB LEU 5 0.893 11.805 -2.965 34 HG LEU 5 HG LEU 5 0.573 9.085 -3.742 35 HD11 LEU 5 1HD1 LEU 5 -1.853 9.674 -3.786 36 HD12 LEU 5 2HD1 LEU 5 -1.188 9.196 -5.347 37 HD13 LEU 5 3HD1 LEU 5 -1.477 10.900 -4.997 38 HD21 LEU 5 3HD2 LEU 5 0.623 11.174 -5.809 39 HD22 LEU 5 1HD2 LEU 5 1.708 9.809 -5.543 40 HD23 LEU 5 2HD2 LEU 5 1.901 11.286 -4.598 41 H CYS 6 H CYS 6 -0.405 10.662 0.774 42 HA CYS 6 HA CYS 6 -1.803 8.159 0.909 43 HB2 CYS 6 2HB CYS 6 -0.902 9.308 2.919 44 HB3 CYS 6 3HB CYS 6 -2.076 10.598 2.678 45 H LYS 7 H LYS 7 -2.877 8.674 -1.241 46 HA LYS 7 HA LYS 7 -5.089 10.529 -1.145 47 HB2 LYS 7 2HB LYS 7 -3.730 8.921 -3.180 48 HB3 LYS 7 3HB LYS 7 -5.476 8.970 -3.385 49 HG2 LYS 7 2HG LYS 7 -4.337 10.726 -4.655 50 HG3 LYS 7 3HG LYS 7 -5.439 11.387 -3.444 51 HD2 LYS 7 2HD LYS 7 -2.805 11.019 -2.334 52 HD3 LYS 7 3HD LYS 7 -2.733 12.004 -3.797 53 HE2 LYS 7 2HE LYS 7 -4.859 12.614 -1.816 54 HE3 LYS 7 3HE LYS 7 -3.203 13.052 -1.401 55 HZ1 LYS 7 3HZ LYS 7 -3.576 14.886 -2.578 56 HZ2 LYS 7 1HZ LYS 7 -4.992 14.273 -3.272 57 HZ3 LYS 7 2HZ LYS 7 -3.490 13.921 -3.965 58 HA PRO 8 HA PRO 8 -8.298 7.841 0.168 59 HB2 PRO 8 2HB PRO 8 -10.361 8.555 -1.446 60 HB3 PRO 8 3HB PRO 8 -9.761 9.586 -0.142 61 HG2 PRO 8 2HG PRO 8 -9.188 9.718 -3.077 62 HG3 PRO 8 3HG PRO 8 -9.532 11.038 -1.945 63 HD2 PRO 8 2HD PRO 8 -7.020 10.424 -2.747 64 HD3 PRO 8 3HD PRO 8 -7.375 11.071 -1.132 65 H SER 9 H SER 9 -9.191 5.857 -0.233 66 HA SER 9 HA SER 9 -9.477 3.835 -1.237 67 HB2 SER 9 2HB SER 9 -10.970 5.424 -2.661 68 HB3 SER 9 3HB SER 9 -9.722 5.225 -3.891 69 HG SER 9 HG SER 9 -10.192 3.107 -4.048 70 H CYS 10 H CYS 10 -6.828 4.644 -0.885 71 HA CYS 10 HA CYS 10 -5.418 3.912 -3.333 72 HB2 CYS 10 2HB CYS 10 -4.707 5.836 -1.810 73 HB3 CYS 10 3HB CYS 10 -4.170 4.601 -0.675 74 H THR 11 H THR 11 -6.918 2.237 -1.030 75 HA THR 11 HA THR 11 -6.835 0.065 -0.344 76 HB THR 11 HB THR 11 -4.402 -0.381 -2.057 77 HG1 THR 11 HG1 THR 11 -7.060 0.122 -2.835 78 HG21 THR 11 3HG2 THR 11 -6.541 -2.039 -0.834 79 HG22 THR 11 1HG2 THR 11 -4.824 -2.382 -1.041 80 HG23 THR 11 2HG2 THR 11 -5.925 -2.536 -2.410 81 H ASN 12 H ASN 12 -4.856 2.331 0.569 82 HA ASN 12 HA ASN 12 -3.704 0.785 2.691 83 HB2 ASN 12 2HB ASN 12 -2.143 1.115 0.365 84 HB3 ASN 12 3HB ASN 12 -1.482 2.227 1.560 85 HD21 ASN 12 1HD2 ASN 12 -2.406 -1.129 1.026 86 HD22 ASN 12 2HD2 ASN 12 -1.273 -1.807 2.141 87 H CYS 13 H CYS 13 -5.453 3.138 2.170 88 HA CYS 13 HA CYS 13 -4.393 4.818 4.245 89 HB2 CYS 13 2HB CYS 13 -4.012 5.552 1.468 90 HB3 CYS 13 3HB CYS 13 -4.997 6.746 2.307 91 HN1 NH2 14 2HN NH2 14 -8.172 5.083 2.550 92 HN2 NH2 14 1HN NH2 14 -6.824 4.586 1.586 Start of MODEL 3 1 H1 MET 1 1HN MET 1 1.203 -0.901 0.510 2 H2 MET 1 2HN MET 1 -0.018 0.104 -0.164 3 H3 MET 1 3HN MET 1 1.487 -0.096 -1.022 4 HA MET 1 HA MET 1 0.983 1.408 1.492 5 HB2 MET 1 2HB MET 1 3.167 -0.181 1.352 6 HB3 MET 1 3HB MET 1 3.796 1.169 0.395 7 HG2 MET 1 2HG MET 1 2.849 2.606 2.584 8 HG3 MET 1 3HG MET 1 3.102 1.031 3.351 9 HE1 MET 1 3HE MET 1 5.750 0.633 4.741 10 HE2 MET 1 1HE MET 1 6.303 2.340 4.875 11 HE3 MET 1 2HE MET 1 4.571 1.935 5.057 12 H CYS 2 H CYS 2 0.719 3.559 1.059 13 HA CYS 2 HA CYS 2 1.504 4.471 -1.632 14 HB2 CYS 2 2HB CYS 2 -0.716 5.704 -0.013 15 HB3 CYS 2 3HB CYS 2 -0.412 5.844 -1.742 16 HA PRO 3 HA PRO 3 3.831 6.921 1.587 17 HB2 PRO 3 2HB PRO 3 6.265 6.616 0.424 18 HB3 PRO 3 3HB PRO 3 5.602 5.458 1.584 19 HG2 PRO 3 2HG PRO 3 5.655 5.324 -1.406 20 HG3 PRO 3 3HG PRO 3 5.988 4.046 -0.223 21 HD2 PRO 3 2HD PRO 3 3.618 4.252 -1.516 22 HD3 PRO 3 3HD PRO 3 3.751 3.625 0.139 23 HA PRO 4 HA PRO 4 4.979 9.399 -2.471 24 HB2 PRO 4 2HB PRO 4 3.345 8.830 -4.563 25 HB3 PRO 4 3HB PRO 4 4.887 8.007 -4.297 26 HG2 PRO 4 2HG PRO 4 2.114 7.099 -3.628 27 HG3 PRO 4 3HG PRO 4 3.452 6.178 -4.339 28 HD2 PRO 4 2HD PRO 4 2.800 6.011 -1.716 29 HD3 PRO 4 3HD PRO 4 4.468 5.838 -2.298 30 H LEU 5 H LEU 5 1.760 8.455 -1.495 31 HA LEU 5 HA LEU 5 0.935 11.019 -0.803 32 HB2 LEU 5 2HB LEU 5 -0.841 11.257 -2.646 33 HB3 LEU 5 3HB LEU 5 0.815 11.750 -2.993 34 HG LEU 5 HG LEU 5 0.515 9.027 -3.766 35 HD11 LEU 5 1HD1 LEU 5 -1.535 10.816 -5.051 36 HD12 LEU 5 2HD1 LEU 5 -1.920 9.625 -3.808 37 HD13 LEU 5 3HD1 LEU 5 -1.250 9.102 -5.354 38 HD21 LEU 5 3HD2 LEU 5 1.645 9.756 -5.569 39 HD22 LEU 5 1HD2 LEU 5 1.830 11.233 -4.623 40 HD23 LEU 5 2HD2 LEU 5 0.553 11.117 -5.834 41 H CYS 6 H CYS 6 -0.478 10.602 0.748 42 HA CYS 6 HA CYS 6 -1.862 8.091 0.882 43 HB2 CYS 6 2HB CYS 6 -0.922 9.635 2.806 44 HB3 CYS 6 3HB CYS 6 -2.516 10.373 2.699 45 H LYS 7 H LYS 7 -2.890 8.712 -1.310 46 HA LYS 7 HA LYS 7 -5.128 10.517 -1.186 47 HB2 LYS 7 2HB LYS 7 -3.754 8.941 -3.234 48 HB3 LYS 7 3HB LYS 7 -5.499 8.982 -3.446 49 HG2 LYS 7 2HG LYS 7 -4.393 10.760 -4.695 50 HG3 LYS 7 3HG LYS 7 -5.465 11.409 -3.452 51 HD2 LYS 7 2HD LYS 7 -2.822 11.017 -2.387 52 HD3 LYS 7 3HD LYS 7 -2.753 12.000 -3.852 53 HE2 LYS 7 2HE LYS 7 -4.788 13.226 -2.707 54 HE3 LYS 7 3HE LYS 7 -4.074 12.556 -1.241 55 HZ1 LYS 7 3HZ LYS 7 -3.061 14.630 -3.020 56 HZ2 LYS 7 1HZ LYS 7 -1.915 13.574 -2.362 57 HZ3 LYS 7 2HZ LYS 7 -2.916 14.477 -1.342 58 HA PRO 8 HA PRO 8 -8.331 7.800 0.083 59 HB2 PRO 8 2HB PRO 8 -10.392 8.527 -1.528 60 HB3 PRO 8 3HB PRO 8 -9.799 9.543 -0.209 61 HG2 PRO 8 2HG PRO 8 -9.217 9.715 -3.140 62 HG3 PRO 8 3HG PRO 8 -9.570 11.019 -1.992 63 HD2 PRO 8 2HD PRO 8 -7.053 10.426 -2.794 64 HD3 PRO 8 3HD PRO 8 -7.416 11.050 -1.172 65 H SER 9 H SER 9 -9.242 5.826 -0.353 66 HA SER 9 HA SER 9 -9.521 3.817 -1.385 67 HB2 SER 9 2HB SER 9 -11.062 5.295 -2.764 68 HB3 SER 9 3HB SER 9 -9.769 5.378 -3.960 69 HG SER 9 HG SER 9 -11.551 3.595 -3.948 70 H CYS 10 H CYS 10 -6.877 4.590 -0.981 71 HA CYS 10 HA CYS 10 -5.440 3.876 -3.422 72 HB2 CYS 10 2HB CYS 10 -4.748 5.801 -1.883 73 HB3 CYS 10 3HB CYS 10 -4.210 4.559 -0.757 74 H THR 11 H THR 11 -6.981 2.184 -1.181 75 HA THR 11 HA THR 11 -6.905 0.011 -0.501 76 HB THR 11 HB THR 11 -4.414 -0.411 -2.135 77 HG1 THR 11 HG1 THR 11 -5.696 -0.614 -3.950 78 HG21 THR 11 3HG2 THR 11 -5.985 -2.558 -2.540 79 HG22 THR 11 1HG2 THR 11 -6.535 -2.083 -0.934 80 HG23 THR 11 2HG2 THR 11 -4.831 -2.441 -1.212 81 H ASN 12 H ASN 12 -4.979 2.284 0.493 82 HA ASN 12 HA ASN 12 -3.925 0.779 2.673 83 HB2 ASN 12 2HB ASN 12 -2.291 0.685 0.503 84 HB3 ASN 12 3HB ASN 12 -1.690 2.137 1.300 85 HD21 ASN 12 1HD2 ASN 12 -1.407 -1.144 1.109 86 HD22 ASN 12 2HD2 ASN 12 -0.621 -1.447 2.618 87 H CYS 13 H CYS 13 -5.580 3.143 2.073 88 HA CYS 13 HA CYS 13 -4.477 4.881 4.079 89 HB2 CYS 13 2HB CYS 13 -3.299 5.699 2.078 90 HB3 CYS 13 3HB CYS 13 -4.844 5.943 1.269 91 HN1 NH2 14 2HN NH2 14 -7.775 5.712 4.813 92 HN2 NH2 14 1HN NH2 14 -6.145 5.491 5.352 Start of MODEL 4 1 H1 MET 1 1HN MET 1 2.522 -0.807 -0.128 2 H2 MET 1 2HN MET 1 0.811 -0.728 -0.269 3 H3 MET 1 3HN MET 1 1.799 0.105 -1.441 4 HA MET 1 HA MET 1 0.761 1.080 0.988 5 HB2 MET 1 2HB MET 1 3.059 0.110 1.798 6 HB3 MET 1 3HB MET 1 3.795 1.432 0.878 7 HG2 MET 1 2HG MET 1 2.486 3.123 2.314 8 HG3 MET 1 3HG MET 1 1.734 1.762 3.158 9 HE1 MET 1 3HE MET 1 3.391 2.456 6.196 10 HE2 MET 1 1HE MET 1 4.165 3.865 5.388 11 HE3 MET 1 2HE MET 1 2.464 3.443 5.033 12 H CYS 2 H CYS 2 0.828 3.459 0.912 13 HA CYS 2 HA CYS 2 1.569 4.428 -1.772 14 HB2 CYS 2 2HB CYS 2 -0.604 5.647 -0.083 15 HB3 CYS 2 3HB CYS 2 -0.333 5.821 -1.814 16 HA PRO 3 HA PRO 3 3.983 6.773 1.462 17 HB2 PRO 3 2HB PRO 3 6.393 6.465 0.250 18 HB3 PRO 3 3HB PRO 3 5.736 5.289 1.395 19 HG2 PRO 3 2HG PRO 3 5.736 5.222 -1.598 20 HG3 PRO 3 3HG PRO 3 6.073 3.914 -0.449 21 HD2 PRO 3 2HD PRO 3 3.684 4.179 -1.696 22 HD3 PRO 3 3HD PRO 3 3.838 3.512 -0.058 23 HA PRO 4 HA PRO 4 5.092 9.329 -2.559 24 HB2 PRO 4 2HB PRO 4 3.414 8.828 -4.634 25 HB3 PRO 4 3HB PRO 4 4.949 7.980 -4.414 26 HG2 PRO 4 2HG PRO 4 2.177 7.092 -3.715 27 HG3 PRO 4 3HG PRO 4 3.490 6.170 -4.471 28 HD2 PRO 4 2HD PRO 4 2.883 5.952 -1.841 29 HD3 PRO 4 3HD PRO 4 4.538 5.772 -2.457 30 H LEU 5 H LEU 5 1.874 8.401 -1.558 31 HA LEU 5 HA LEU 5 1.096 10.958 -0.788 32 HB2 LEU 5 2HB LEU 5 -0.714 11.246 -2.602 33 HB3 LEU 5 3HB LEU 5 0.938 11.755 -2.946 34 HG LEU 5 HG LEU 5 0.610 9.047 -3.793 35 HD11 LEU 5 1HD1 LEU 5 -1.120 9.255 -5.436 36 HD12 LEU 5 2HD1 LEU 5 -1.405 10.938 -4.993 37 HD13 LEU 5 3HD1 LEU 5 -1.801 9.649 -3.857 38 HD21 LEU 5 3HD2 LEU 5 1.126 10.110 -6.010 39 HD22 LEU 5 1HD2 LEU 5 2.278 10.462 -4.722 40 HD23 LEU 5 2HD2 LEU 5 1.083 11.672 -5.191 41 H CYS 6 H CYS 6 -0.299 10.524 0.775 42 HA CYS 6 HA CYS 6 -1.712 8.027 0.873 43 HB2 CYS 6 2HB CYS 6 -0.771 9.119 2.895 44 HB3 CYS 6 3HB CYS 6 -1.936 10.425 2.704 45 H LYS 7 H LYS 7 -2.819 8.596 -1.245 46 HA LYS 7 HA LYS 7 -5.014 10.466 -1.068 47 HB2 LYS 7 2HB LYS 7 -3.699 8.903 -3.164 48 HB3 LYS 7 3HB LYS 7 -5.448 8.962 -3.339 49 HG2 LYS 7 2HG LYS 7 -4.364 10.745 -4.590 50 HG3 LYS 7 3HG LYS 7 -5.386 11.393 -3.305 51 HD2 LYS 7 2HD LYS 7 -2.720 10.952 -2.325 52 HD3 LYS 7 3HD LYS 7 -2.675 11.944 -3.785 53 HE2 LYS 7 2HE LYS 7 -4.753 12.657 -1.824 54 HE3 LYS 7 3HE LYS 7 -3.092 12.914 -1.294 55 HZ1 LYS 7 3HZ LYS 7 -4.606 14.268 -3.379 56 HZ2 LYS 7 1HZ LYS 7 -2.972 13.980 -3.710 57 HZ3 LYS 7 2HZ LYS 7 -3.413 14.871 -2.341 58 HA PRO 8 HA PRO 8 -8.222 7.769 0.229 59 HB2 PRO 8 2HB PRO 8 -10.305 8.535 -1.334 60 HB3 PRO 8 3HB PRO 8 -9.677 9.531 -0.015 61 HG2 PRO 8 2HG PRO 8 -9.149 9.729 -2.955 62 HG3 PRO 8 3HG PRO 8 -9.466 11.023 -1.786 63 HD2 PRO 8 2HD PRO 8 -6.971 10.413 -2.642 64 HD3 PRO 8 3HD PRO 8 -7.297 11.023 -1.007 65 H SER 9 H SER 9 -9.123 5.797 -0.201 66 HA SER 9 HA SER 9 -9.447 3.805 -1.251 67 HB2 SER 9 2HB SER 9 -10.043 5.775 -3.437 68 HB3 SER 9 3HB SER 9 -10.057 4.045 -3.777 69 HG SER 9 HG SER 9 -11.859 5.575 -2.395 70 H CYS 10 H CYS 10 -6.787 4.582 -0.912 71 HA CYS 10 HA CYS 10 -5.413 3.895 -3.394 72 HB2 CYS 10 2HB CYS 10 -4.669 5.780 -1.837 73 HB3 CYS 10 3HB CYS 10 -4.125 4.515 -0.739 74 H THR 11 H THR 11 -6.901 2.178 -1.117 75 HA THR 11 HA THR 11 -6.825 -0.008 -0.478 76 HB THR 11 HB THR 11 -4.413 -0.432 -2.226 77 HG1 THR 11 HG1 THR 11 -5.875 -0.711 -3.963 78 HG21 THR 11 3HG2 THR 11 -6.059 -2.111 -0.684 79 HG22 THR 11 1HG2 THR 11 -4.809 -2.590 -1.831 80 HG23 THR 11 2HG2 THR 11 -6.480 -2.422 -2.367 81 H ASN 12 H ASN 12 -4.823 2.223 0.466 82 HA ASN 12 HA ASN 12 -3.665 0.627 2.543 83 HB2 ASN 12 2HB ASN 12 -2.127 0.901 0.226 84 HB3 ASN 12 3HB ASN 12 -1.460 2.085 1.345 85 HD21 ASN 12 1HD2 ASN 12 -2.285 -1.308 0.955 86 HD22 ASN 12 2HD2 ASN 12 -1.139 -1.908 2.100 87 H CYS 13 H CYS 13 -5.390 3.007 2.086 88 HA CYS 13 HA CYS 13 -4.285 4.640 4.176 89 HB2 CYS 13 2HB CYS 13 -3.929 5.416 1.407 90 HB3 CYS 13 3HB CYS 13 -4.891 6.607 2.278 91 HN1 NH2 14 2HN NH2 14 -7.730 4.754 4.883 92 HN2 NH2 14 1HN NH2 14 -6.184 4.123 5.336 Start of MODEL 5 1 H1 MET 1 1HN MET 1 -0.110 0.328 -0.250 2 H2 MET 1 2HN MET 1 1.338 -0.126 -1.059 3 H3 MET 1 3HN MET 1 1.004 -0.787 0.521 4 HA MET 1 HA MET 1 1.092 1.469 1.485 5 HB2 MET 1 2HB MET 1 3.158 -0.260 1.101 6 HB3 MET 1 3HB MET 1 3.779 1.100 0.152 7 HG2 MET 1 2HG MET 1 4.634 1.826 2.243 8 HG3 MET 1 3HG MET 1 2.982 2.421 2.468 9 HE1 MET 1 3HE MET 1 4.374 1.964 5.312 10 HE2 MET 1 1HE MET 1 4.473 0.258 5.873 11 HE3 MET 1 2HE MET 1 5.496 0.824 4.521 12 H CYS 2 H CYS 2 0.738 3.585 1.017 13 HA CYS 2 HA CYS 2 1.507 4.514 -1.672 14 HB2 CYS 2 2HB CYS 2 -0.703 5.739 -0.036 15 HB3 CYS 2 3HB CYS 2 -0.410 5.885 -1.766 16 HA PRO 3 HA PRO 3 3.848 6.943 1.554 17 HB2 PRO 3 2HB PRO 3 6.279 6.639 0.382 18 HB3 PRO 3 3HB PRO 3 5.618 5.477 1.539 19 HG2 PRO 3 2HG PRO 3 5.662 5.357 -1.452 20 HG3 PRO 3 3HG PRO 3 5.996 4.073 -0.276 21 HD2 PRO 3 2HD PRO 3 3.623 4.289 -1.561 22 HD3 PRO 3 3HD PRO 3 3.760 3.653 0.090 23 HA PRO 4 HA PRO 4 4.989 9.438 -2.497 24 HB2 PRO 4 2HB PRO 4 3.346 8.882 -4.586 25 HB3 PRO 4 3HB PRO 4 4.887 8.055 -4.329 26 HG2 PRO 4 2HG PRO 4 2.114 7.149 -3.654 27 HG3 PRO 4 3HG PRO 4 3.448 6.228 -4.374 28 HD2 PRO 4 2HD PRO 4 2.805 6.051 -1.750 29 HD3 PRO 4 3HD PRO 4 4.471 5.877 -2.339 30 H LEU 5 H LEU 5 1.767 8.494 -1.522 31 HA LEU 5 HA LEU 5 0.951 11.056 -0.812 32 HB2 LEU 5 2HB LEU 5 -0.838 11.289 -2.655 33 HB3 LEU 5 3HB LEU 5 0.813 11.809 -2.988 34 HG LEU 5 HG LEU 5 0.525 9.082 -3.786 35 HD11 LEU 5 1HD1 LEU 5 -1.174 9.279 -5.489 36 HD12 LEU 5 2HD1 LEU 5 -1.517 10.938 -4.999 37 HD13 LEU 5 3HD1 LEU 5 -1.881 9.602 -3.906 38 HD21 LEU 5 3HD2 LEU 5 0.984 11.683 -5.233 39 HD22 LEU 5 1HD2 LEU 5 1.060 10.104 -6.016 40 HD23 LEU 5 2HD2 LEU 5 2.189 10.500 -4.720 41 H CYS 6 H CYS 6 -0.456 10.633 0.743 42 HA CYS 6 HA CYS 6 -1.845 8.124 0.868 43 HB2 CYS 6 2HB CYS 6 -0.939 9.262 2.881 44 HB3 CYS 6 3HB CYS 6 -2.116 10.551 2.654 45 H LYS 7 H LYS 7 -2.932 8.647 -1.273 46 HA LYS 7 HA LYS 7 -5.149 10.496 -1.153 47 HB2 LYS 7 2HB LYS 7 -3.788 8.918 -3.208 48 HB3 LYS 7 3HB LYS 7 -5.536 8.951 -3.406 49 HG2 LYS 7 2HG LYS 7 -4.474 10.730 -4.672 50 HG3 LYS 7 3HG LYS 7 -5.501 11.388 -3.397 51 HD2 LYS 7 2HD LYS 7 -2.801 10.966 -2.456 52 HD3 LYS 7 3HD LYS 7 -2.826 12.002 -3.885 53 HE2 LYS 7 2HE LYS 7 -4.847 13.102 -2.524 54 HE3 LYS 7 3HE LYS 7 -3.912 12.470 -1.169 55 HZ1 LYS 7 3HZ LYS 7 -2.920 14.479 -1.405 56 HZ2 LYS 7 1HZ LYS 7 -3.244 14.592 -3.062 57 HZ3 LYS 7 2HZ LYS 7 -1.973 13.620 -2.513 58 HA PRO 8 HA PRO 8 -8.342 7.782 0.145 59 HB2 PRO 8 2HB PRO 8 -10.414 8.500 -1.455 60 HB3 PRO 8 3HB PRO 8 -9.814 9.522 -0.144 61 HG2 PRO 8 2HG PRO 8 -9.251 9.682 -3.080 62 HG3 PRO 8 3HG PRO 8 -9.598 10.991 -1.934 63 HD2 PRO 8 2HD PRO 8 -7.085 10.396 -2.750 64 HD3 PRO 8 3HD PRO 8 -7.439 11.027 -1.129 65 H SER 9 H SER 9 -9.225 5.796 -0.269 66 HA SER 9 HA SER 9 -9.507 3.783 -1.291 67 HB2 SER 9 2HB SER 9 -10.955 5.458 -2.735 68 HB3 SER 9 3HB SER 9 -9.746 5.098 -3.967 69 HG SER 9 HG SER 9 -11.410 3.249 -2.602 70 H CYS 10 H CYS 10 -6.860 4.604 -0.939 71 HA CYS 10 HA CYS 10 -5.453 3.896 -3.397 72 HB2 CYS 10 2HB CYS 10 -4.747 5.813 -1.862 73 HB3 CYS 10 3HB CYS 10 -4.201 4.573 -0.738 74 H THR 11 H THR 11 -6.937 2.198 -1.099 75 HA THR 11 HA THR 11 -6.840 0.023 -0.426 76 HB THR 11 HB THR 11 -4.416 -0.402 -2.157 77 HG1 THR 11 HG1 THR 11 -6.023 -0.862 -3.838 78 HG21 THR 11 3HG2 THR 11 -4.825 -2.579 -1.843 79 HG22 THR 11 1HG2 THR 11 -6.542 -2.384 -2.192 80 HG23 THR 11 2HG2 THR 11 -5.934 -2.087 -0.564 81 H ASN 12 H ASN 12 -4.867 2.290 0.492 82 HA ASN 12 HA ASN 12 -3.692 0.733 2.593 83 HB2 ASN 12 2HB ASN 12 -2.147 1.116 0.257 84 HB3 ASN 12 3HB ASN 12 -1.482 2.195 1.480 85 HD21 ASN 12 1HD2 ASN 12 -0.517 1.346 3.295 86 HD22 ASN 12 2HD2 ASN 12 -0.112 -0.328 3.441 87 H CYS 13 H CYS 13 -5.461 3.078 2.105 88 HA CYS 13 HA CYS 13 -4.401 4.746 4.190 89 HB2 CYS 13 2HB CYS 13 -4.042 5.509 1.417 90 HB3 CYS 13 3HB CYS 13 -5.030 6.687 2.274 91 HN1 NH2 14 2HN NH2 14 -8.205 4.894 2.556 92 HN2 NH2 14 1HN NH2 14 -6.867 4.353 1.602 Start of MODEL 6 1 H1 MET 1 1HN MET 1 2.830 0.303 -0.852 2 H2 MET 1 2HN MET 1 2.886 -0.525 0.653 3 H3 MET 1 3HN MET 1 1.490 -0.724 -0.374 4 HA MET 1 HA MET 1 0.479 0.835 0.782 5 HB2 MET 1 2HB MET 1 1.654 2.365 2.390 6 HB3 MET 1 3HB MET 1 1.908 0.644 2.719 7 HG2 MET 1 2HG MET 1 4.160 1.299 1.082 8 HG3 MET 1 3HG MET 1 3.880 2.781 2.009 9 HE1 MET 1 3HE MET 1 4.588 3.147 4.809 10 HE2 MET 1 1HE MET 1 6.151 2.262 4.915 11 HE3 MET 1 2HE MET 1 5.728 3.172 3.435 12 H CYS 2 H CYS 2 0.653 3.505 1.053 13 HA CYS 2 HA CYS 2 1.470 4.415 -1.629 14 HB2 CYS 2 2HB CYS 2 -0.746 5.669 -0.021 15 HB3 CYS 2 3HB CYS 2 -0.425 5.817 -1.746 16 HA PRO 3 HA PRO 3 3.807 6.824 1.615 17 HB2 PRO 3 2HB PRO 3 6.244 6.489 0.468 18 HB3 PRO 3 3HB PRO 3 5.558 5.337 1.619 19 HG2 PRO 3 2HG PRO 3 5.631 5.211 -1.371 20 HG3 PRO 3 3HG PRO 3 5.938 3.925 -0.189 21 HD2 PRO 3 2HD PRO 3 3.580 4.167 -1.498 22 HD3 PRO 3 3HD PRO 3 3.693 3.533 0.156 23 HA PRO 4 HA PRO 4 5.017 9.298 -2.429 24 HB2 PRO 4 2HB PRO 4 3.388 8.758 -4.533 25 HB3 PRO 4 3HB PRO 4 4.916 7.913 -4.259 26 HG2 PRO 4 2HG PRO 4 2.127 7.041 -3.611 27 HG3 PRO 4 3HG PRO 4 3.457 6.104 -4.316 28 HD2 PRO 4 2HD PRO 4 2.785 5.939 -1.698 29 HD3 PRO 4 3HD PRO 4 4.455 5.744 -2.270 30 H LEU 5 H LEU 5 1.774 8.394 -1.485 31 HA LEU 5 HA LEU 5 0.982 10.968 -0.788 32 HB2 LEU 5 2HB LEU 5 -0.787 11.215 -2.649 33 HB3 LEU 5 3HB LEU 5 0.872 11.719 -2.966 34 HG LEU 5 HG LEU 5 0.568 8.993 -3.762 35 HD11 LEU 5 1HD1 LEU 5 -1.844 9.599 -3.893 36 HD12 LEU 5 2HD1 LEU 5 -1.127 9.154 -5.441 37 HD13 LEU 5 3HD1 LEU 5 -1.416 10.851 -5.060 38 HD21 LEU 5 3HD2 LEU 5 1.069 11.588 -5.205 39 HD22 LEU 5 1HD2 LEU 5 1.133 10.009 -5.988 40 HD23 LEU 5 2HD2 LEU 5 2.255 10.391 -4.682 41 H CYS 6 H CYS 6 -0.432 10.554 0.762 42 HA CYS 6 HA CYS 6 -1.861 8.066 0.870 43 HB2 CYS 6 2HB CYS 6 -0.946 9.181 2.892 44 HB3 CYS 6 3HB CYS 6 -2.103 10.490 2.665 45 H LYS 7 H LYS 7 -2.929 8.615 -1.274 46 HA LYS 7 HA LYS 7 -5.121 10.495 -1.152 47 HB2 LYS 7 2HB LYS 7 -3.765 8.922 -3.212 48 HB3 LYS 7 3HB LYS 7 -5.511 8.967 -3.420 49 HG2 LYS 7 2HG LYS 7 -4.477 10.751 -4.671 50 HG3 LYS 7 3HG LYS 7 -5.441 11.420 -3.353 51 HD2 LYS 7 2HD LYS 7 -2.769 10.948 -2.439 52 HD3 LYS 7 3HD LYS 7 -2.722 11.891 -3.930 53 HE2 LYS 7 2HE LYS 7 -4.661 13.220 -2.702 54 HE3 LYS 7 3HE LYS 7 -3.857 12.579 -1.270 55 HZ1 LYS 7 3HZ LYS 7 -2.791 14.418 -3.315 56 HZ2 LYS 7 1HZ LYS 7 -1.744 13.497 -2.357 57 HZ3 LYS 7 2HZ LYS 7 -2.808 14.594 -1.633 58 HA PRO 8 HA PRO 8 -8.357 7.812 0.105 59 HB2 PRO 8 2HB PRO 8 -10.410 8.572 -1.500 60 HB3 PRO 8 3HB PRO 8 -9.803 9.575 -0.177 61 HG2 PRO 8 2HG PRO 8 -9.222 9.753 -3.108 62 HG3 PRO 8 3HG PRO 8 -9.558 11.056 -1.953 63 HD2 PRO 8 2HD PRO 8 -7.049 10.435 -2.760 64 HD3 PRO 8 3HD PRO 8 -7.403 11.056 -1.135 65 H SER 9 H SER 9 -9.237 5.834 -0.325 66 HA SER 9 HA SER 9 -9.560 3.840 -1.370 67 HB2 SER 9 2HB SER 9 -11.153 5.173 -2.715 68 HB3 SER 9 3HB SER 9 -9.857 5.554 -3.849 69 HG SER 9 HG SER 9 -10.898 2.980 -3.257 70 H CYS 10 H CYS 10 -6.905 4.609 -0.971 71 HA CYS 10 HA CYS 10 -5.475 3.884 -3.412 72 HB2 CYS 10 2HB CYS 10 -4.762 5.790 -1.863 73 HB3 CYS 10 3HB CYS 10 -4.245 4.539 -0.738 74 H THR 11 H THR 11 -7.021 2.206 -1.145 75 HA THR 11 HA THR 11 -6.968 0.030 -0.473 76 HB THR 11 HB THR 11 -4.516 -0.428 -2.155 77 HG1 THR 11 HG1 THR 11 -5.861 0.554 -3.597 78 HG21 THR 11 3HG2 THR 11 -4.906 -2.543 -1.576 79 HG22 THR 11 1HG2 THR 11 -6.455 -2.459 -2.414 80 HG23 THR 11 2HG2 THR 11 -6.359 -2.067 -0.697 81 H ASN 12 H ASN 12 -4.982 2.268 0.486 82 HA ASN 12 HA ASN 12 -3.881 0.702 2.616 83 HB2 ASN 12 2HB ASN 12 -2.286 0.944 0.328 84 HB3 ASN 12 3HB ASN 12 -1.637 2.128 1.460 85 HD21 ASN 12 1HD2 ASN 12 -2.151 -1.225 0.798 86 HD22 ASN 12 2HD2 ASN 12 -1.170 -1.844 2.079 87 H CYS 13 H CYS 13 -5.584 3.080 2.082 88 HA CYS 13 HA CYS 13 -4.521 4.743 4.169 89 HB2 CYS 13 2HB CYS 13 -4.105 5.474 1.395 90 HB3 CYS 13 3HB CYS 13 -5.075 6.683 2.230 91 HN1 NH2 14 2HN NH2 14 -7.930 5.080 4.863 92 HN2 NH2 14 1HN NH2 14 -6.366 4.574 5.402 Start of MODEL 7 1 H1 MET 1 1HN MET 1 1.867 -0.094 -1.144 2 H2 MET 1 2HN MET 1 1.651 -0.965 0.323 3 H3 MET 1 3HN MET 1 0.285 -0.147 -0.388 4 HA MET 1 HA MET 1 0.815 1.286 1.301 5 HB2 MET 1 2HB MET 1 3.050 0.021 1.760 6 HB3 MET 1 3HB MET 1 3.801 1.172 0.643 7 HG2 MET 1 2HG MET 1 3.827 2.857 2.299 8 HG3 MET 1 3HG MET 1 2.125 2.553 2.676 9 HE1 MET 1 3HE MET 1 3.658 2.472 6.197 10 HE2 MET 1 1HE MET 1 5.221 2.419 5.308 11 HE3 MET 1 2HE MET 1 3.912 3.511 4.768 12 H CYS 2 H CYS 2 0.709 3.526 0.984 13 HA CYS 2 HA CYS 2 1.519 4.438 -1.700 14 HB2 CYS 2 2HB CYS 2 -0.723 5.656 -0.099 15 HB3 CYS 2 3HB CYS 2 -0.394 5.820 -1.821 16 HA PRO 3 HA PRO 3 3.809 6.892 1.545 17 HB2 PRO 3 2HB PRO 3 6.257 6.583 0.412 18 HB3 PRO 3 3HB PRO 3 5.579 5.428 1.566 19 HG2 PRO 3 2HG PRO 3 5.669 5.287 -1.423 20 HG3 PRO 3 3HG PRO 3 5.987 4.012 -0.233 21 HD2 PRO 3 2HD PRO 3 3.634 4.216 -1.555 22 HD3 PRO 3 3HD PRO 3 3.746 3.592 0.103 23 HA PRO 4 HA PRO 4 5.008 9.360 -2.505 24 HB2 PRO 4 2HB PRO 4 3.400 8.788 -4.616 25 HB3 PRO 4 3HB PRO 4 4.937 7.965 -4.328 26 HG2 PRO 4 2HG PRO 4 2.156 7.059 -3.692 27 HG3 PRO 4 3HG PRO 4 3.502 6.135 -4.384 28 HD2 PRO 4 2HD PRO 4 2.818 5.975 -1.769 29 HD3 PRO 4 3HD PRO 4 4.493 5.800 -2.330 30 H LEU 5 H LEU 5 1.780 8.422 -1.558 31 HA LEU 5 HA LEU 5 0.950 10.991 -0.891 32 HB2 LEU 5 2HB LEU 5 -0.815 11.211 -2.749 33 HB3 LEU 5 3HB LEU 5 0.843 11.704 -3.087 34 HG LEU 5 HG LEU 5 0.554 8.975 -3.840 35 HD11 LEU 5 1HD1 LEU 5 -1.461 10.729 -5.215 36 HD12 LEU 5 2HD1 LEU 5 -1.891 9.637 -3.899 37 HD13 LEU 5 3HD1 LEU 5 -1.214 8.992 -5.394 38 HD21 LEU 5 3HD2 LEU 5 1.877 11.171 -4.703 39 HD22 LEU 5 1HD2 LEU 5 0.608 11.051 -5.922 40 HD23 LEU 5 2HD2 LEU 5 1.694 9.689 -5.643 41 H CYS 6 H CYS 6 -0.430 10.545 0.682 42 HA CYS 6 HA CYS 6 -1.845 8.050 0.789 43 HB2 CYS 6 2HB CYS 6 -0.864 9.544 2.729 44 HB3 CYS 6 3HB CYS 6 -2.447 10.312 2.650 45 H LYS 7 H LYS 7 -2.904 8.687 -1.369 46 HA LYS 7 HA LYS 7 -5.135 10.511 -1.160 47 HB2 LYS 7 2HB LYS 7 -3.728 9.099 -3.288 48 HB3 LYS 7 3HB LYS 7 -5.474 9.058 -3.498 49 HG2 LYS 7 2HG LYS 7 -4.707 10.953 -4.667 50 HG3 LYS 7 3HG LYS 7 -5.455 11.557 -3.187 51 HD2 LYS 7 2HD LYS 7 -2.790 11.117 -2.509 52 HD3 LYS 7 3HD LYS 7 -2.732 11.827 -4.124 53 HE2 LYS 7 2HE LYS 7 -2.835 13.767 -2.978 54 HE3 LYS 7 3HE LYS 7 -4.565 13.427 -2.971 55 HZ1 LYS 7 3HZ LYS 7 -3.671 12.075 -0.807 56 HZ2 LYS 7 1HZ LYS 7 -4.380 13.611 -0.771 57 HZ3 LYS 7 2HZ LYS 7 -2.696 13.458 -0.787 58 HA PRO 8 HA PRO 8 -8.314 7.703 -0.038 59 HB2 PRO 8 2HB PRO 8 -10.382 8.495 -1.609 60 HB3 PRO 8 3HB PRO 8 -9.798 9.446 -0.238 61 HG2 PRO 8 2HG PRO 8 -9.219 9.776 -3.157 62 HG3 PRO 8 3HG PRO 8 -9.583 11.015 -1.941 63 HD2 PRO 8 2HD PRO 8 -7.061 10.487 -2.773 64 HD3 PRO 8 3HD PRO 8 -7.429 11.022 -1.121 65 H SER 9 H SER 9 -9.236 5.756 -0.585 66 HA SER 9 HA SER 9 -9.537 3.812 -1.729 67 HB2 SER 9 2HB SER 9 -9.589 5.248 -4.349 68 HB3 SER 9 3HB SER 9 -10.633 3.957 -3.756 69 HG SER 9 HG SER 9 -11.778 5.409 -2.583 70 H CYS 10 H CYS 10 -6.888 4.563 -1.200 71 HA CYS 10 HA CYS 10 -5.390 3.856 -3.612 72 HB2 CYS 10 2HB CYS 10 -4.732 5.798 -2.085 73 HB3 CYS 10 3HB CYS 10 -4.227 4.574 -0.924 74 H THR 11 H THR 11 -6.959 2.204 -1.338 75 HA THR 11 HA THR 11 -6.894 0.040 -0.625 76 HB THR 11 HB THR 11 -4.410 -0.420 -2.261 77 HG1 THR 11 HG1 THR 11 -7.012 0.149 -3.119 78 HG21 THR 11 3HG2 THR 11 -6.319 -2.480 -2.508 79 HG22 THR 11 1HG2 THR 11 -6.255 -2.054 -0.798 80 HG23 THR 11 2HG2 THR 11 -4.782 -2.528 -1.645 81 H ASN 12 H ASN 12 -4.929 2.319 0.307 82 HA ASN 12 HA ASN 12 -4.026 1.064 2.623 83 HB2 ASN 12 2HB ASN 12 -2.305 0.652 0.330 84 HB3 ASN 12 3HB ASN 12 -1.462 1.538 1.597 85 HD21 ASN 12 1HD2 ASN 12 -0.128 -0.360 1.746 86 HD22 ASN 12 2HD2 ASN 12 -0.663 -1.710 2.682 87 H CYS 13 H CYS 13 -4.895 3.027 3.388 88 HA CYS 13 HA CYS 13 -2.955 5.133 3.629 89 HB2 CYS 13 2HB CYS 13 -3.961 5.782 1.505 90 HB3 CYS 13 3HB CYS 13 -5.571 5.680 2.211 91 HN1 NH2 14 2HN NH2 14 -6.534 4.822 5.705 92 HN2 NH2 14 1HN NH2 14 -6.418 4.227 4.085 Start of MODEL 8 1 H1 MET 1 1HN MET 1 0.991 -0.891 0.581 2 H2 MET 1 2HN MET 1 0.309 0.090 -0.655 3 H3 MET 1 3HN MET 1 2.006 -0.307 -0.726 4 HA MET 1 HA MET 1 0.755 1.305 1.448 5 HB2 MET 1 2HB MET 1 3.047 -0.036 1.725 6 HB3 MET 1 3HB MET 1 3.721 1.295 0.771 7 HG2 MET 1 2HG MET 1 2.960 2.962 2.541 8 HG3 MET 1 3HG MET 1 2.123 1.655 3.392 9 HE1 MET 1 3HE MET 1 6.006 1.693 1.982 10 HE2 MET 1 1HE MET 1 5.810 3.230 2.897 11 HE3 MET 1 2HE MET 1 6.778 1.890 3.579 12 H CYS 2 H CYS 2 0.639 3.536 1.135 13 HA CYS 2 HA CYS 2 1.455 4.468 -1.541 14 HB2 CYS 2 2HB CYS 2 -0.785 5.681 0.066 15 HB3 CYS 2 3HB CYS 2 -0.455 5.853 -1.655 16 HA PRO 3 HA PRO 3 3.746 6.890 1.727 17 HB2 PRO 3 2HB PRO 3 6.195 6.585 0.595 18 HB3 PRO 3 3HB PRO 3 5.514 5.422 1.738 19 HG2 PRO 3 2HG PRO 3 5.607 5.306 -1.251 20 HG3 PRO 3 3HG PRO 3 5.921 4.020 -0.072 21 HD2 PRO 3 2HD PRO 3 3.569 4.241 -1.396 22 HD3 PRO 3 3HD PRO 3 3.678 3.602 0.257 23 HA PRO 4 HA PRO 4 4.955 9.390 -2.301 24 HB2 PRO 4 2HB PRO 4 3.346 8.839 -4.417 25 HB3 PRO 4 3HB PRO 4 4.881 8.009 -4.136 26 HG2 PRO 4 2HG PRO 4 2.097 7.106 -3.508 27 HG3 PRO 4 3HG PRO 4 3.441 6.185 -4.208 28 HD2 PRO 4 2HD PRO 4 2.755 6.004 -1.594 29 HD3 PRO 4 3HD PRO 4 4.430 5.829 -2.156 30 H LEU 5 H LEU 5 1.720 8.450 -1.371 31 HA LEU 5 HA LEU 5 0.896 11.014 -0.677 32 HB2 LEU 5 2HB LEU 5 -0.861 11.261 -2.538 33 HB3 LEU 5 3HB LEU 5 0.799 11.754 -2.864 34 HG LEU 5 HG LEU 5 0.506 9.034 -3.651 35 HD11 LEU 5 1HD1 LEU 5 -1.395 10.676 -5.234 36 HD12 LEU 5 2HD1 LEU 5 -1.962 9.981 -3.715 37 HD13 LEU 5 3HD1 LEU 5 -1.336 8.930 -4.985 38 HD21 LEU 5 3HD2 LEU 5 1.655 9.769 -5.441 39 HD22 LEU 5 1HD2 LEU 5 1.837 11.238 -4.482 40 HD23 LEU 5 2HD2 LEU 5 0.573 11.137 -5.708 41 H CYS 6 H CYS 6 -0.497 10.561 0.882 42 HA CYS 6 HA CYS 6 -1.914 8.066 0.962 43 HB2 CYS 6 2HB CYS 6 -0.992 9.167 2.993 44 HB3 CYS 6 3HB CYS 6 -2.168 10.461 2.792 45 H LYS 7 H LYS 7 -3.005 8.620 -1.160 46 HA LYS 7 HA LYS 7 -5.218 10.482 -0.981 47 HB2 LYS 7 2HB LYS 7 -3.834 9.012 -3.100 48 HB3 LYS 7 3HB LYS 7 -5.580 9.046 -3.309 49 HG2 LYS 7 2HG LYS 7 -4.402 10.890 -4.460 50 HG3 LYS 7 3HG LYS 7 -5.600 11.441 -3.286 51 HD2 LYS 7 2HD LYS 7 -4.032 12.321 -1.897 52 HD3 LYS 7 3HD LYS 7 -2.831 11.091 -2.299 53 HE2 LYS 7 2HE LYS 7 -2.461 12.183 -4.467 54 HE3 LYS 7 3HE LYS 7 -3.642 13.420 -4.038 55 HZ1 LYS 7 3HZ LYS 7 -0.915 13.363 -3.443 56 HZ2 LYS 7 1HZ LYS 7 -1.751 13.232 -1.978 57 HZ3 LYS 7 2HZ LYS 7 -2.053 14.538 -3.010 58 HA PRO 8 HA PRO 8 -8.403 7.691 0.165 59 HB2 PRO 8 2HB PRO 8 -10.470 8.480 -1.408 60 HB3 PRO 8 3HB PRO 8 -9.881 9.437 -0.044 61 HG2 PRO 8 2HG PRO 8 -9.305 9.748 -2.965 62 HG3 PRO 8 3HG PRO 8 -9.663 10.995 -1.757 63 HD2 PRO 8 2HD PRO 8 -7.144 10.454 -2.588 64 HD3 PRO 8 3HD PRO 8 -7.508 11.001 -0.939 65 H SER 9 H SER 9 -9.265 5.722 -0.352 66 HA SER 9 HA SER 9 -9.569 3.772 -1.483 67 HB2 SER 9 2HB SER 9 -10.986 5.476 -2.872 68 HB3 SER 9 3HB SER 9 -9.711 5.280 -4.075 69 HG SER 9 HG SER 9 -11.738 3.604 -3.430 70 H CYS 10 H CYS 10 -6.919 4.571 -1.016 71 HA CYS 10 HA CYS 10 -5.454 3.906 -3.455 72 HB2 CYS 10 2HB CYS 10 -4.785 5.810 -1.887 73 HB3 CYS 10 3HB CYS 10 -4.263 4.559 -0.762 74 H THR 11 H THR 11 -6.981 2.191 -1.190 75 HA THR 11 HA THR 11 -6.896 0.012 -0.530 76 HB THR 11 HB THR 11 -4.453 -0.406 -2.236 77 HG1 THR 11 HG1 THR 11 -7.161 -0.114 -3.051 78 HG21 THR 11 3HG2 THR 11 -4.810 -2.519 -1.621 79 HG22 THR 11 1HG2 THR 11 -6.331 -2.471 -2.512 80 HG23 THR 11 2HG2 THR 11 -6.303 -2.075 -0.793 81 H ASN 12 H ASN 12 -4.930 2.268 0.427 82 HA ASN 12 HA ASN 12 -3.770 0.680 2.519 83 HB2 ASN 12 2HB ASN 12 -2.204 1.139 0.208 84 HB3 ASN 12 3HB ASN 12 -1.565 2.191 1.467 85 HD21 ASN 12 1HD2 ASN 12 -1.242 1.101 3.615 86 HD22 ASN 12 2HD2 ASN 12 -0.577 -0.493 3.588 87 H CYS 13 H CYS 13 -5.555 3.027 2.038 88 HA CYS 13 HA CYS 13 -4.554 4.655 4.183 89 HB2 CYS 13 2HB CYS 13 -4.166 5.489 1.425 90 HB3 CYS 13 3HB CYS 13 -5.136 6.649 2.325 91 HN1 NH2 14 2HN NH2 14 -8.309 3.982 3.577 92 HN2 NH2 14 1HN NH2 14 -6.939 2.955 3.327 Start of MODEL 9 1 H1 MET 1 1HN MET 1 0.092 -0.132 -0.348 2 H2 MET 1 2HN MET 1 1.507 0.027 -1.312 3 H3 MET 1 3HN MET 1 1.574 -0.930 0.145 4 HA MET 1 HA MET 1 0.817 1.283 1.288 5 HB2 MET 1 2HB MET 1 3.105 -0.127 1.391 6 HB3 MET 1 3HB MET 1 3.748 1.260 0.497 7 HG2 MET 1 2HG MET 1 3.782 2.583 2.453 8 HG3 MET 1 3HG MET 1 2.114 2.125 2.827 9 HE1 MET 1 3HE MET 1 5.119 2.357 4.532 10 HE2 MET 1 1HE MET 1 5.264 0.950 5.644 11 HE3 MET 1 2HE MET 1 5.934 0.865 3.989 12 H CYS 2 H CYS 2 0.694 3.509 1.009 13 HA CYS 2 HA CYS 2 1.461 4.493 -1.661 14 HB2 CYS 2 2HB CYS 2 -0.724 5.712 0.011 15 HB3 CYS 2 3HB CYS 2 -0.443 5.878 -1.720 16 HA PRO 3 HA PRO 3 3.842 6.821 1.611 17 HB2 PRO 3 2HB PRO 3 6.264 6.518 0.423 18 HB3 PRO 3 3HB PRO 3 5.595 5.337 1.555 19 HG2 PRO 3 2HG PRO 3 5.627 5.285 -1.438 20 HG3 PRO 3 3HG PRO 3 5.952 3.971 -0.293 21 HD2 PRO 3 2HD PRO 3 3.576 4.242 -1.563 22 HD3 PRO 3 3HD PRO 3 3.712 3.567 0.073 23 HA PRO 4 HA PRO 4 4.996 9.397 -2.384 24 HB2 PRO 4 2HB PRO 4 3.342 8.906 -4.481 25 HB3 PRO 4 3HB PRO 4 4.875 8.057 -4.247 26 HG2 PRO 4 2HG PRO 4 2.095 7.164 -3.586 27 HG3 PRO 4 3HG PRO 4 3.418 6.247 -4.330 28 HD2 PRO 4 2HD PRO 4 2.780 6.016 -1.709 29 HD3 PRO 4 3HD PRO 4 4.442 5.839 -2.306 30 H LEU 5 H LEU 5 1.772 8.466 -1.410 31 HA LEU 5 HA LEU 5 0.984 11.020 -0.646 32 HB2 LEU 5 2HB LEU 5 -0.805 11.324 -2.468 33 HB3 LEU 5 3HB LEU 5 0.853 11.808 -2.816 34 HG LEU 5 HG LEU 5 0.519 9.110 -3.655 35 HD11 LEU 5 1HD1 LEU 5 -1.924 9.849 -3.648 36 HD12 LEU 5 2HD1 LEU 5 -1.284 9.170 -5.143 37 HD13 LEU 5 3HD1 LEU 5 -1.478 10.915 -4.980 38 HD21 LEU 5 3HD2 LEU 5 1.853 11.321 -4.465 39 HD22 LEU 5 1HD2 LEU 5 0.565 11.251 -5.669 40 HD23 LEU 5 2HD2 LEU 5 1.642 9.872 -5.449 41 H CYS 6 H CYS 6 -0.430 10.590 0.900 42 HA CYS 6 HA CYS 6 -1.835 8.088 0.991 43 HB2 CYS 6 2HB CYS 6 -0.920 9.191 3.019 44 HB3 CYS 6 3HB CYS 6 -2.088 10.491 2.812 45 H LYS 7 H LYS 7 -2.947 8.594 -1.116 46 HA LYS 7 HA LYS 7 -5.159 10.462 -0.957 47 HB2 LYS 7 2HB LYS 7 -3.783 8.962 -3.061 48 HB3 LYS 7 3HB LYS 7 -5.530 8.999 -3.264 49 HG2 LYS 7 2HG LYS 7 -4.348 10.824 -4.442 50 HG3 LYS 7 3HG LYS 7 -5.542 11.393 -3.274 51 HD2 LYS 7 2HD LYS 7 -3.969 12.281 -1.895 52 HD3 LYS 7 3HD LYS 7 -2.769 11.049 -2.293 53 HE2 LYS 7 2HE LYS 7 -1.809 12.795 -3.375 54 HE3 LYS 7 3HE LYS 7 -2.904 12.279 -4.658 55 HZ1 LYS 7 3HZ LYS 7 -3.135 14.588 -2.845 56 HZ2 LYS 7 1HZ LYS 7 -4.525 13.921 -3.540 57 HZ3 LYS 7 2HZ LYS 7 -3.295 14.531 -4.528 58 HA PRO 8 HA PRO 8 -8.342 7.683 0.224 59 HB2 PRO 8 2HB PRO 8 -10.404 8.422 -1.379 60 HB3 PRO 8 3HB PRO 8 -9.829 9.416 -0.035 61 HG2 PRO 8 2HG PRO 8 -9.237 9.659 -2.959 62 HG3 PRO 8 3HG PRO 8 -9.609 10.933 -1.783 63 HD2 PRO 8 2HD PRO 8 -7.082 10.386 -2.587 64 HD3 PRO 8 3HD PRO 8 -7.459 10.970 -0.954 65 H SER 9 H SER 9 -9.391 5.764 -0.309 66 HA SER 9 HA SER 9 -9.587 3.756 -1.370 67 HB2 SER 9 2HB SER 9 -10.669 3.810 -3.453 68 HB3 SER 9 3HB SER 9 -11.088 5.366 -2.735 69 HG SER 9 HG SER 9 -9.966 4.978 -5.048 70 H CYS 10 H CYS 10 -6.938 4.593 -0.974 71 HA CYS 10 HA CYS 10 -5.512 3.926 -3.432 72 HB2 CYS 10 2HB CYS 10 -4.822 5.832 -1.886 73 HB3 CYS 10 3HB CYS 10 -4.291 4.591 -0.755 74 H THR 11 H THR 11 -6.977 2.212 -1.111 75 HA THR 11 HA THR 11 -6.868 0.033 -0.451 76 HB THR 11 HB THR 11 -4.481 -0.385 -2.234 77 HG1 THR 11 HG1 THR 11 -5.801 -0.452 -3.979 78 HG21 THR 11 3HG2 THR 11 -4.967 -2.335 -1.033 79 HG22 THR 11 1HG2 THR 11 -5.780 -2.580 -2.579 80 HG23 THR 11 2HG2 THR 11 -6.709 -2.090 -1.162 81 H ASN 12 H ASN 12 -4.871 2.295 0.433 82 HA ASN 12 HA ASN 12 -3.632 0.701 2.481 83 HB2 ASN 12 2HB ASN 12 -2.144 1.307 0.115 84 HB3 ASN 12 3HB ASN 12 -1.456 2.216 1.457 85 HD21 ASN 12 1HD2 ASN 12 -0.969 0.972 3.425 86 HD22 ASN 12 2HD2 ASN 12 -0.395 -0.647 3.245 87 H CYS 13 H CYS 13 -5.459 3.043 2.055 88 HA CYS 13 HA CYS 13 -4.436 4.649 4.204 89 HB2 CYS 13 2HB CYS 13 -4.069 5.515 1.459 90 HB3 CYS 13 3HB CYS 13 -5.059 6.656 2.363 91 HN1 NH2 14 2HN NH2 14 -7.887 4.680 4.866 92 HN2 NH2 14 1HN NH2 14 -6.327 4.099 5.339 Start of MODEL 10 1 H1 MET 1 1HN MET 1 2.569 -0.599 -0.795 2 H2 MET 1 2HN MET 1 0.902 -0.546 -0.380 3 H3 MET 1 3HN MET 1 1.463 0.361 -1.761 4 HA MET 1 HA MET 1 1.133 1.305 0.804 5 HB2 MET 1 2HB MET 1 3.465 0.081 1.116 6 HB3 MET 1 3HB MET 1 4.118 1.449 0.201 7 HG2 MET 1 2HG MET 1 3.467 3.053 1.978 8 HG3 MET 1 3HG MET 1 2.351 1.874 2.685 9 HE1 MET 1 3HE MET 1 3.524 -0.090 5.088 10 HE2 MET 1 1HE MET 1 3.996 1.502 5.780 11 HE3 MET 1 2HE MET 1 2.537 1.359 4.756 12 H CYS 2 H CYS 2 0.987 3.569 0.648 13 HA CYS 2 HA CYS 2 1.744 4.668 -1.980 14 HB2 CYS 2 2HB CYS 2 -0.498 5.753 -0.291 15 HB3 CYS 2 3HB CYS 2 -0.207 5.988 -2.011 16 HA PRO 3 HA PRO 3 4.017 6.966 1.386 17 HB2 PRO 3 2HB PRO 3 6.455 6.792 0.206 18 HB3 PRO 3 3HB PRO 3 5.823 5.549 1.291 19 HG2 PRO 3 2HG PRO 3 5.874 5.603 -1.702 20 HG3 PRO 3 3HG PRO 3 6.239 4.262 -0.601 21 HD2 PRO 3 2HD PRO 3 3.863 4.492 -1.878 22 HD3 PRO 3 3HD PRO 3 4.014 3.765 -0.265 23 HA PRO 4 HA PRO 4 5.101 9.720 -2.509 24 HB2 PRO 4 2HB PRO 4 3.480 9.242 -4.635 25 HB3 PRO 4 3HB PRO 4 5.042 8.443 -4.418 26 HG2 PRO 4 2HG PRO 4 2.292 7.426 -3.810 27 HG3 PRO 4 3HG PRO 4 3.653 6.584 -4.576 28 HD2 PRO 4 2HD PRO 4 3.006 6.239 -1.969 29 HD3 PRO 4 3HD PRO 4 4.678 6.144 -2.559 30 H LEU 5 H LEU 5 1.907 8.638 -1.595 31 HA LEU 5 HA LEU 5 1.022 11.138 -0.753 32 HB2 LEU 5 2HB LEU 5 -0.780 11.406 -2.583 33 HB3 LEU 5 3HB LEU 5 0.852 12.001 -2.883 34 HG LEU 5 HG LEU 5 0.662 9.312 -3.826 35 HD11 LEU 5 1HD1 LEU 5 -1.042 9.541 -5.522 36 HD12 LEU 5 2HD1 LEU 5 -1.446 11.156 -4.941 37 HD13 LEU 5 3HD1 LEU 5 -1.760 9.749 -3.925 38 HD21 LEU 5 3HD2 LEU 5 1.035 12.002 -5.124 39 HD22 LEU 5 1HD2 LEU 5 1.155 10.475 -5.999 40 HD23 LEU 5 2HD2 LEU 5 2.276 10.828 -4.683 41 H CYS 6 H CYS 6 -0.386 10.612 0.770 42 HA CYS 6 HA CYS 6 -1.691 8.056 0.785 43 HB2 CYS 6 2HB CYS 6 -0.815 9.227 2.833 44 HB3 CYS 6 3HB CYS 6 -2.139 10.376 2.669 45 H LYS 7 H LYS 7 -2.762 8.674 -1.359 46 HA LYS 7 HA LYS 7 -5.036 10.433 -1.192 47 HB2 LYS 7 2HB LYS 7 -3.640 8.924 -3.277 48 HB3 LYS 7 3HB LYS 7 -5.386 8.939 -3.480 49 HG2 LYS 7 2HG LYS 7 -4.262 10.761 -4.689 50 HG3 LYS 7 3HG LYS 7 -5.412 11.348 -3.485 51 HD2 LYS 7 2HD LYS 7 -2.750 11.018 -2.379 52 HD3 LYS 7 3HD LYS 7 -2.762 12.120 -3.758 53 HE2 LYS 7 2HE LYS 7 -3.977 13.683 -2.665 54 HE3 LYS 7 3HE LYS 7 -4.935 12.484 -1.799 55 HZ1 LYS 7 3HZ LYS 7 -3.719 13.194 -0.065 56 HZ2 LYS 7 1HZ LYS 7 -2.459 13.783 -1.029 57 HZ3 LYS 7 2HZ LYS 7 -2.549 12.132 -0.672 58 HA PRO 8 HA PRO 8 -8.180 7.624 0.019 59 HB2 PRO 8 2HB PRO 8 -10.249 8.304 -1.602 60 HB3 PRO 8 3HB PRO 8 -9.694 9.328 -0.272 61 HG2 PRO 8 2HG PRO 8 -9.096 9.535 -3.198 62 HG3 PRO 8 3HG PRO 8 -9.493 10.821 -2.043 63 HD2 PRO 8 2HD PRO 8 -6.955 10.302 -2.830 64 HD3 PRO 8 3HD PRO 8 -7.346 10.906 -1.207 65 H SER 9 H SER 9 -9.150 5.664 -0.472 66 HA SER 9 HA SER 9 -9.500 3.696 -1.559 67 HB2 SER 9 2HB SER 9 -9.220 5.199 -4.161 68 HB3 SER 9 3HB SER 9 -10.151 3.735 -3.845 69 HG SER 9 HG SER 9 -11.747 5.043 -3.490 70 H CYS 10 H CYS 10 -6.901 4.288 -0.751 71 HA CYS 10 HA CYS 10 -5.168 3.405 -2.936 72 HB2 CYS 10 2HB CYS 10 -4.806 5.180 -0.798 73 HB3 CYS 10 3HB CYS 10 -3.828 3.772 -0.395 74 H THR 11 H THR 11 -7.129 1.913 -0.882 75 HA THR 11 HA THR 11 -7.304 -0.233 -0.135 76 HB THR 11 HB THR 11 -4.637 -0.879 -1.370 77 HG1 THR 11 HG1 THR 11 -5.646 -1.065 -3.347 78 HG21 THR 11 3HG2 THR 11 -5.300 -2.853 -0.496 79 HG22 THR 11 1HG2 THR 11 -6.322 -2.926 -1.931 80 HG23 THR 11 2HG2 THR 11 -6.990 -2.361 -0.400 81 H ASN 12 H ASN 12 -5.373 1.952 1.048 82 HA ASN 12 HA ASN 12 -4.889 0.680 3.486 83 HB2 ASN 12 2HB ASN 12 -2.353 0.629 3.368 84 HB3 ASN 12 3HB ASN 12 -3.187 -0.637 2.471 85 HD21 ASN 12 1HD2 ASN 12 -1.410 2.355 2.224 86 HD22 ASN 12 2HD2 ASN 12 -0.998 2.199 0.553 87 H CYS 13 H CYS 13 -5.840 3.172 2.421 88 HA CYS 13 HA CYS 13 -4.433 4.957 4.179 89 HB2 CYS 13 2HB CYS 13 -3.674 4.899 1.441 90 HB3 CYS 13 3HB CYS 13 -4.566 6.393 1.709 91 HN1 NH2 14 2HN NH2 14 -8.000 5.734 2.204 92 HN2 NH2 14 1HN NH2 14 -6.805 4.721 1.469 Start of MODEL 11 1 H1 MET 1 1HN MET 1 1.827 -0.544 -1.159 2 H2 MET 1 2HN MET 1 3.215 0.457 -1.319 3 H3 MET 1 3HN MET 1 3.053 -0.551 0.095 4 HA MET 1 HA MET 1 0.777 0.832 0.267 5 HB2 MET 1 2HB MET 1 1.909 2.285 1.973 6 HB3 MET 1 3HB MET 1 2.208 0.554 2.194 7 HG2 MET 1 2HG MET 1 4.443 1.379 0.606 8 HG3 MET 1 3HG MET 1 4.124 2.782 1.637 9 HE1 MET 1 3HE MET 1 4.065 2.016 5.103 10 HE2 MET 1 1HE MET 1 5.730 2.553 4.681 11 HE3 MET 1 2HE MET 1 4.317 3.232 3.821 12 H CYS 2 H CYS 2 0.884 3.483 0.700 13 HA CYS 2 HA CYS 2 1.692 4.575 -1.916 14 HB2 CYS 2 2HB CYS 2 -0.554 5.690 -0.253 15 HB3 CYS 2 3HB CYS 2 -0.238 5.924 -1.969 16 HA PRO 3 HA PRO 3 3.959 6.834 1.479 17 HB2 PRO 3 2HB PRO 3 6.407 6.632 0.323 18 HB3 PRO 3 3HB PRO 3 5.747 5.393 1.398 19 HG2 PRO 3 2HG PRO 3 5.830 5.457 -1.594 20 HG3 PRO 3 3HG PRO 3 6.166 4.107 -0.493 21 HD2 PRO 3 2HD PRO 3 3.806 4.373 -1.794 22 HD3 PRO 3 3HD PRO 3 3.930 3.639 -0.182 23 HA PRO 4 HA PRO 4 5.119 9.586 -2.395 24 HB2 PRO 4 2HB PRO 4 3.515 9.137 -4.539 25 HB3 PRO 4 3HB PRO 4 5.063 8.316 -4.309 26 HG2 PRO 4 2HG PRO 4 2.294 7.334 -3.733 27 HG3 PRO 4 3HG PRO 4 3.651 6.477 -4.487 28 HD2 PRO 4 2HD PRO 4 2.973 6.131 -1.888 29 HD3 PRO 4 3HD PRO 4 4.650 6.016 -2.461 30 H LEU 5 H LEU 5 1.902 8.544 -1.518 31 HA LEU 5 HA LEU 5 1.041 11.052 -0.676 32 HB2 LEU 5 2HB LEU 5 -0.737 11.351 -2.525 33 HB3 LEU 5 3HB LEU 5 0.906 11.925 -2.804 34 HG LEU 5 HG LEU 5 0.692 9.243 -3.760 35 HD11 LEU 5 1HD1 LEU 5 -1.364 11.113 -4.924 36 HD12 LEU 5 2HD1 LEU 5 -1.731 9.745 -3.874 37 HD13 LEU 5 3HD1 LEU 5 -0.997 9.471 -5.454 38 HD21 LEU 5 3HD2 LEU 5 2.334 10.740 -4.595 39 HD22 LEU 5 1HD2 LEU 5 1.115 11.935 -5.040 40 HD23 LEU 5 2HD2 LEU 5 1.221 10.412 -5.924 41 H CYS 6 H CYS 6 -0.394 10.542 0.827 42 HA CYS 6 HA CYS 6 -1.731 8.002 0.819 43 HB2 CYS 6 2HB CYS 6 -0.865 9.160 2.881 44 HB3 CYS 6 3HB CYS 6 -2.175 10.322 2.705 45 H LYS 7 H LYS 7 -2.770 8.634 -1.333 46 HA LYS 7 HA LYS 7 -5.024 10.423 -1.189 47 HB2 LYS 7 2HB LYS 7 -3.620 8.904 -3.262 48 HB3 LYS 7 3HB LYS 7 -5.364 8.942 -3.487 49 HG2 LYS 7 2HG LYS 7 -4.202 10.754 -4.675 50 HG3 LYS 7 3HG LYS 7 -5.361 11.350 -3.484 51 HD2 LYS 7 2HD LYS 7 -2.720 10.986 -2.341 52 HD3 LYS 7 3HD LYS 7 -2.695 12.088 -3.719 53 HE2 LYS 7 2HE LYS 7 -3.854 13.679 -2.625 54 HE3 LYS 7 3HE LYS 7 -4.913 12.509 -1.840 55 HZ1 LYS 7 3HZ LYS 7 -2.807 13.890 -0.701 56 HZ2 LYS 7 1HZ LYS 7 -2.284 12.285 -0.822 57 HZ3 LYS 7 2HZ LYS 7 -3.716 12.648 0.001 58 HA PRO 8 HA PRO 8 -8.216 7.647 -0.026 59 HB2 PRO 8 2HB PRO 8 -10.256 8.358 -1.670 60 HB3 PRO 8 3HB PRO 8 -9.705 9.370 -0.329 61 HG2 PRO 8 2HG PRO 8 -9.069 9.580 -3.247 62 HG3 PRO 8 3HG PRO 8 -9.465 10.867 -2.092 63 HD2 PRO 8 2HD PRO 8 -6.924 10.321 -2.851 64 HD3 PRO 8 3HD PRO 8 -7.328 10.923 -1.231 65 H SER 9 H SER 9 -9.209 5.703 -0.538 66 HA SER 9 HA SER 9 -9.570 3.744 -1.637 67 HB2 SER 9 2HB SER 9 -9.177 4.910 -4.338 68 HB3 SER 9 3HB SER 9 -10.475 3.881 -3.730 69 HG SER 9 HG SER 9 -11.044 6.129 -4.203 70 H CYS 10 H CYS 10 -6.974 4.302 -0.790 71 HA CYS 10 HA CYS 10 -5.223 3.397 -2.951 72 HB2 CYS 10 2HB CYS 10 -4.868 5.162 -0.801 73 HB3 CYS 10 3HB CYS 10 -3.908 3.742 -0.397 74 H THR 11 H THR 11 -7.232 1.930 -0.926 75 HA THR 11 HA THR 11 -7.446 -0.214 -0.183 76 HB THR 11 HB THR 11 -4.770 -0.894 -1.381 77 HG1 THR 11 HG1 THR 11 -7.265 -0.646 -2.744 78 HG21 THR 11 3HG2 THR 11 -6.395 -2.942 -1.966 79 HG22 THR 11 1HG2 THR 11 -7.202 -2.350 -0.515 80 HG23 THR 11 2HG2 THR 11 -5.507 -2.833 -0.447 81 H ASN 12 H ASN 12 -5.504 1.945 1.029 82 HA ASN 12 HA ASN 12 -5.072 0.670 3.473 83 HB2 ASN 12 2HB ASN 12 -2.463 0.727 3.278 84 HB3 ASN 12 3HB ASN 12 -3.351 -0.674 2.685 85 HD21 ASN 12 1HD2 ASN 12 -1.489 2.115 1.832 86 HD22 ASN 12 2HD2 ASN 12 -1.273 1.719 0.164 87 H CYS 13 H CYS 13 -5.968 3.174 2.394 88 HA CYS 13 HA CYS 13 -4.555 4.939 4.167 89 HB2 CYS 13 2HB CYS 13 -3.760 4.864 1.440 90 HB3 CYS 13 3HB CYS 13 -4.632 6.372 1.693 91 HN1 NH2 14 2HN NH2 14 -8.110 5.715 2.182 92 HN2 NH2 14 1HN NH2 14 -6.939 4.647 1.486 Start of MODEL 12 1 H1 MET 1 1HN MET 1 2.595 0.111 -1.621 2 H2 MET 1 2HN MET 1 2.251 -0.917 -0.286 3 H3 MET 1 3HN MET 1 0.928 -0.221 -1.186 4 HA MET 1 HA MET 1 0.935 1.097 0.673 5 HB2 MET 1 2HB MET 1 3.294 0.098 1.363 6 HB3 MET 1 3HB MET 1 3.947 1.558 0.602 7 HG2 MET 1 2HG MET 1 2.780 3.021 2.256 8 HG3 MET 1 3HG MET 1 1.766 1.668 2.778 9 HE1 MET 1 3HE MET 1 4.184 3.813 3.988 10 HE2 MET 1 1HE MET 1 4.886 2.956 5.406 11 HE3 MET 1 2HE MET 1 5.736 2.945 3.833 12 H CYS 2 H CYS 2 0.936 3.465 0.719 13 HA CYS 2 HA CYS 2 1.701 4.606 -1.889 14 HB2 CYS 2 2HB CYS 2 -0.524 5.687 -0.175 15 HB3 CYS 2 3HB CYS 2 -0.233 5.950 -1.891 16 HA PRO 3 HA PRO 3 4.007 6.810 1.518 17 HB2 PRO 3 2HB PRO 3 6.442 6.627 0.332 18 HB3 PRO 3 3HB PRO 3 5.794 5.371 1.395 19 HG2 PRO 3 2HG PRO 3 5.844 5.482 -1.597 20 HG3 PRO 3 3HG PRO 3 6.193 4.116 -0.522 21 HD2 PRO 3 2HD PRO 3 3.819 4.401 -1.792 22 HD3 PRO 3 3HD PRO 3 3.961 3.641 -0.193 23 HA PRO 4 HA PRO 4 5.123 9.623 -2.325 24 HB2 PRO 4 2HB PRO 4 3.494 9.208 -4.457 25 HB3 PRO 4 3HB PRO 4 5.045 8.384 -4.258 26 HG2 PRO 4 2HG PRO 4 2.283 7.392 -3.666 27 HG3 PRO 4 3HG PRO 4 3.631 6.547 -4.449 28 HD2 PRO 4 2HD PRO 4 2.983 6.160 -1.848 29 HD3 PRO 4 3HD PRO 4 4.653 6.054 -2.442 30 H LEU 5 H LEU 5 1.918 8.567 -1.421 31 HA LEU 5 HA LEU 5 1.067 11.061 -0.532 32 HB2 LEU 5 2HB LEU 5 -0.725 11.410 -2.344 33 HB3 LEU 5 3HB LEU 5 0.922 11.954 -2.658 34 HG LEU 5 HG LEU 5 0.660 9.293 -3.635 35 HD11 LEU 5 1HD1 LEU 5 -1.136 9.387 -5.131 36 HD12 LEU 5 2HD1 LEU 5 -1.377 11.115 -4.875 37 HD13 LEU 5 3HD1 LEU 5 -1.801 9.969 -3.604 38 HD21 LEU 5 3HD2 LEU 5 1.943 11.574 -4.324 39 HD22 LEU 5 1HD2 LEU 5 0.662 11.536 -5.536 40 HD23 LEU 5 2HD2 LEU 5 1.771 10.173 -5.382 41 H CYS 6 H CYS 6 -0.340 10.518 0.986 42 HA CYS 6 HA CYS 6 -1.685 7.983 0.944 43 HB2 CYS 6 2HB CYS 6 -0.775 9.103 3.014 44 HB3 CYS 6 3HB CYS 6 -2.101 10.254 2.892 45 H LYS 7 H LYS 7 -2.781 8.621 -1.158 46 HA LYS 7 HA LYS 7 -5.027 10.424 -0.926 47 HB2 LYS 7 2HB LYS 7 -3.644 8.992 -3.072 48 HB3 LYS 7 3HB LYS 7 -5.392 9.012 -3.268 49 HG2 LYS 7 2HG LYS 7 -4.197 10.883 -4.395 50 HG3 LYS 7 3HG LYS 7 -5.446 11.392 -3.256 51 HD2 LYS 7 2HD LYS 7 -3.938 12.263 -1.783 52 HD3 LYS 7 3HD LYS 7 -2.680 11.104 -2.218 53 HE2 LYS 7 2HE LYS 7 -1.751 12.591 -3.580 54 HE3 LYS 7 3HE LYS 7 -3.256 12.729 -4.488 55 HZ1 LYS 7 3HZ LYS 7 -3.934 14.540 -3.255 56 HZ2 LYS 7 1HZ LYS 7 -2.269 14.812 -3.377 57 HZ3 LYS 7 2HZ LYS 7 -2.920 14.184 -1.949 58 HA PRO 8 HA PRO 8 -8.188 7.593 0.190 59 HB2 PRO 8 2HB PRO 8 -10.257 8.351 -1.396 60 HB3 PRO 8 3HB PRO 8 -9.689 9.318 -0.030 61 HG2 PRO 8 2HG PRO 8 -9.101 9.633 -2.948 62 HG3 PRO 8 3HG PRO 8 -9.484 10.877 -1.743 63 HD2 PRO 8 2HD PRO 8 -6.952 10.370 -2.560 64 HD3 PRO 8 3HD PRO 8 -7.333 10.913 -0.914 65 H SER 9 H SER 9 -9.187 5.666 -0.376 66 HA SER 9 HA SER 9 -9.564 3.747 -1.540 67 HB2 SER 9 2HB SER 9 -10.441 5.696 -3.206 68 HB3 SER 9 3HB SER 9 -9.192 4.962 -4.212 69 HG SER 9 HG SER 9 -11.483 4.077 -4.200 70 H CYS 10 H CYS 10 -6.961 4.269 -0.694 71 HA CYS 10 HA CYS 10 -5.237 3.418 -2.902 72 HB2 CYS 10 2HB CYS 10 -4.849 5.163 -0.750 73 HB3 CYS 10 3HB CYS 10 -3.896 3.737 -0.351 74 H THR 11 H THR 11 -7.207 1.923 -0.851 75 HA THR 11 HA THR 11 -7.403 -0.229 -0.127 76 HB THR 11 HB THR 11 -4.765 -0.899 -1.410 77 HG1 THR 11 HG1 THR 11 -6.233 -1.353 -3.297 78 HG21 THR 11 3HG2 THR 11 -6.997 -2.359 -0.279 79 HG22 THR 11 1HG2 THR 11 -5.395 -2.935 -0.736 80 HG23 THR 11 2HG2 THR 11 -6.678 -2.848 -1.943 81 H ASN 12 H ASN 12 -5.434 1.909 1.066 82 HA ASN 12 HA ASN 12 -4.923 0.583 3.471 83 HB2 ASN 12 2HB ASN 12 -2.331 0.660 3.221 84 HB3 ASN 12 3HB ASN 12 -3.214 -0.719 2.573 85 HD21 ASN 12 1HD2 ASN 12 -2.939 -1.226 0.510 86 HD22 ASN 12 2HD2 ASN 12 -2.144 -0.241 -0.666 87 H CYS 13 H CYS 13 -5.880 3.101 2.471 88 HA CYS 13 HA CYS 13 -4.445 4.843 4.250 89 HB2 CYS 13 2HB CYS 13 -3.732 4.845 1.493 90 HB3 CYS 13 3HB CYS 13 -4.594 6.343 1.826 91 HN1 NH2 14 2HN NH2 14 -8.026 5.686 2.327 92 HN2 NH2 14 1HN NH2 14 -6.841 4.690 1.553 Start of MODEL 13 1 H1 MET 1 1HN MET 1 0.266 0.314 -0.522 2 H2 MET 1 2HN MET 1 1.846 -0.359 -0.605 3 H3 MET 1 3HN MET 1 0.857 -0.685 0.794 4 HA MET 1 HA MET 1 0.999 1.474 1.623 5 HB2 MET 1 2HB MET 1 3.228 -0.076 1.511 6 HB3 MET 1 3HB MET 1 3.835 1.308 0.587 7 HG2 MET 1 2HG MET 1 4.439 2.025 2.795 8 HG3 MET 1 3HG MET 1 2.803 2.694 2.696 9 HE1 MET 1 3HE MET 1 3.762 -1.019 5.305 10 HE2 MET 1 1HE MET 1 4.814 -0.450 3.961 11 HE3 MET 1 2HE MET 1 4.706 0.485 5.480 12 H CYS 2 H CYS 2 0.735 3.624 1.170 13 HA CYS 2 HA CYS 2 1.514 4.505 -1.534 14 HB2 CYS 2 2HB CYS 2 -0.716 5.752 0.056 15 HB3 CYS 2 3HB CYS 2 -0.417 5.844 -1.677 16 HA PRO 3 HA PRO 3 3.804 7.024 1.662 17 HB2 PRO 3 2HB PRO 3 6.249 6.713 0.524 18 HB3 PRO 3 3HB PRO 3 5.585 5.573 1.700 19 HG2 PRO 3 2HG PRO 3 5.663 5.383 -1.286 20 HG3 PRO 3 3HG PRO 3 5.995 4.130 -0.076 21 HD2 PRO 3 2HD PRO 3 3.634 4.296 -1.392 22 HD3 PRO 3 3HD PRO 3 3.757 3.700 0.275 23 HA PRO 4 HA PRO 4 4.972 9.434 -2.432 24 HB2 PRO 4 2HB PRO 4 3.362 8.813 -4.528 25 HB3 PRO 4 3HB PRO 4 4.907 8.007 -4.232 26 HG2 PRO 4 2HG PRO 4 2.135 7.091 -3.572 27 HG3 PRO 4 3HG PRO 4 3.486 6.166 -4.253 28 HD2 PRO 4 2HD PRO 4 2.810 6.044 -1.633 29 HD3 PRO 4 3HD PRO 4 4.485 5.873 -2.196 30 H LEU 5 H LEU 5 1.749 8.484 -1.470 31 HA LEU 5 HA LEU 5 0.901 11.057 -0.839 32 HB2 LEU 5 2HB LEU 5 -0.875 11.212 -2.706 33 HB3 LEU 5 3HB LEU 5 0.771 11.752 -3.032 34 HG LEU 5 HG LEU 5 0.568 9.009 -3.768 35 HD11 LEU 5 1HD1 LEU 5 -1.879 9.528 -3.872 36 HD12 LEU 5 2HD1 LEU 5 -1.163 9.020 -5.400 37 HD13 LEU 5 3HD1 LEU 5 -1.508 10.725 -5.113 38 HD21 LEU 5 3HD2 LEU 5 1.823 11.256 -4.635 39 HD22 LEU 5 1HD2 LEU 5 0.589 11.047 -5.879 40 HD23 LEU 5 2HD2 LEU 5 1.731 9.745 -5.542 41 H CYS 6 H CYS 6 -0.496 10.644 0.728 42 HA CYS 6 HA CYS 6 -1.875 8.132 0.893 43 HB2 CYS 6 2HB CYS 6 -0.940 9.741 2.788 44 HB3 CYS 6 3HB CYS 6 -2.565 10.411 2.690 45 H LYS 7 H LYS 7 -2.868 8.816 -1.336 46 HA LYS 7 HA LYS 7 -5.066 10.622 -1.303 47 HB2 LYS 7 2HB LYS 7 -3.815 8.791 -3.211 48 HB3 LYS 7 3HB LYS 7 -5.562 8.886 -3.391 49 HG2 LYS 7 2HG LYS 7 -4.313 10.480 -4.816 50 HG3 LYS 7 3HG LYS 7 -5.465 11.253 -3.724 51 HD2 LYS 7 2HD LYS 7 -2.851 10.971 -2.506 52 HD3 LYS 7 3HD LYS 7 -2.773 11.878 -4.019 53 HE2 LYS 7 2HE LYS 7 -4.882 12.519 -2.000 54 HE3 LYS 7 3HE LYS 7 -3.240 13.116 -1.771 55 HZ1 LYS 7 3HZ LYS 7 -4.980 13.624 -4.124 56 HZ2 LYS 7 1HZ LYS 7 -3.375 14.140 -3.979 57 HZ3 LYS 7 2HZ LYS 7 -4.555 14.744 -2.929 58 HA PRO 8 HA PRO 8 -8.358 8.204 0.301 59 HB2 PRO 8 2HB PRO 8 -10.427 8.892 -1.315 60 HB3 PRO 8 3HB PRO 8 -9.743 9.990 -0.110 61 HG2 PRO 8 2HG PRO 8 -9.244 9.866 -3.059 62 HG3 PRO 8 3HG PRO 8 -9.495 11.285 -2.025 63 HD2 PRO 8 2HD PRO 8 -7.037 10.488 -2.835 64 HD3 PRO 8 3HD PRO 8 -7.318 11.274 -1.268 65 H SER 9 H SER 9 -8.734 6.091 0.145 66 HA SER 9 HA SER 9 -9.128 4.013 -0.692 67 HB2 SER 9 2HB SER 9 -11.004 5.382 -1.852 68 HB3 SER 9 3HB SER 9 -10.004 5.235 -3.297 69 HG SER 9 HG SER 9 -10.062 2.924 -2.910 70 H CYS 10 H CYS 10 -6.576 4.556 -0.736 71 HA CYS 10 HA CYS 10 -5.574 4.001 -3.441 72 HB2 CYS 10 2HB CYS 10 -3.529 4.937 -2.824 73 HB3 CYS 10 3HB CYS 10 -4.690 5.945 -1.965 74 H THR 11 H THR 11 -6.738 2.179 -1.198 75 HA THR 11 HA THR 11 -6.491 -0.021 -0.646 76 HB THR 11 HB THR 11 -3.979 -0.165 -2.296 77 HG1 THR 11 HG1 THR 11 -5.120 0.195 -4.034 78 HG21 THR 11 3HG2 THR 11 -5.576 -2.392 -2.724 79 HG22 THR 11 1HG2 THR 11 -5.782 -2.042 -1.008 80 HG23 THR 11 2HG2 THR 11 -4.167 -2.302 -1.667 81 H ASN 12 H ASN 12 -4.739 2.369 0.421 82 HA ASN 12 HA ASN 12 -3.568 0.878 2.551 83 HB2 ASN 12 2HB ASN 12 -1.938 1.257 0.278 84 HB3 ASN 12 3HB ASN 12 -1.356 2.388 1.496 85 HD21 ASN 12 1HD2 ASN 12 -1.841 -0.951 0.679 86 HD22 ASN 12 2HD2 ASN 12 -0.848 -1.611 1.930 87 H CYS 13 H CYS 13 -5.395 3.136 2.017 88 HA CYS 13 HA CYS 13 -4.432 4.879 4.087 89 HB2 CYS 13 2HB CYS 13 -3.321 5.791 2.041 90 HB3 CYS 13 3HB CYS 13 -4.916 6.075 1.353 91 HN1 NH2 14 2HN NH2 14 -7.976 4.442 4.492 92 HN2 NH2 14 1HN NH2 14 -6.456 3.695 4.846 Start of MODEL 14 1 H1 MET 1 1HN MET 1 2.770 0.249 -1.166 2 H2 MET 1 2HN MET 1 3.225 -0.414 0.353 3 H3 MET 1 3HN MET 1 1.713 -0.900 -0.366 4 HA MET 1 HA MET 1 0.615 0.693 0.633 5 HB2 MET 1 2HB MET 1 1.780 2.249 2.252 6 HB3 MET 1 3HB MET 1 2.031 0.524 2.564 7 HG2 MET 1 2HG MET 1 4.283 1.205 0.928 8 HG3 MET 1 3HG MET 1 4.007 2.665 1.890 9 HE1 MET 1 3HE MET 1 2.863 1.730 4.816 10 HE2 MET 1 1HE MET 1 4.429 1.655 5.697 11 HE3 MET 1 2HE MET 1 4.107 2.978 4.538 12 H CYS 2 H CYS 2 0.753 3.378 1.000 13 HA CYS 2 HA CYS 2 1.467 4.377 -1.680 14 HB2 CYS 2 2HB CYS 2 -0.713 5.590 -0.006 15 HB3 CYS 2 3HB CYS 2 -0.474 5.685 -1.747 16 HA PRO 3 HA PRO 3 3.815 6.754 1.588 17 HB2 PRO 3 2HB PRO 3 6.247 6.467 0.416 18 HB3 PRO 3 3HB PRO 3 5.586 5.290 1.557 19 HG2 PRO 3 2HG PRO 3 5.634 5.207 -1.435 20 HG3 PRO 3 3HG PRO 3 5.968 3.909 -0.274 21 HD2 PRO 3 2HD PRO 3 3.597 4.138 -1.560 22 HD3 PRO 3 3HD PRO 3 3.732 3.482 0.085 23 HA PRO 4 HA PRO 4 4.960 9.300 -2.429 24 HB2 PRO 4 2HB PRO 4 3.324 8.767 -4.529 25 HB3 PRO 4 3HB PRO 4 4.865 7.939 -4.278 26 HG2 PRO 4 2HG PRO 4 2.093 7.020 -3.622 27 HG3 PRO 4 3HG PRO 4 3.430 6.111 -4.349 28 HD2 PRO 4 2HD PRO 4 2.781 5.900 -1.729 29 HD3 PRO 4 3HD PRO 4 4.448 5.737 -2.315 30 H LEU 5 H LEU 5 1.740 8.340 -1.468 31 HA LEU 5 HA LEU 5 0.917 10.892 -0.732 32 HB2 LEU 5 2HB LEU 5 -0.873 11.133 -2.578 33 HB3 LEU 5 3HB LEU 5 0.775 11.674 -2.895 34 HG LEU 5 HG LEU 5 0.553 8.966 -3.738 35 HD11 LEU 5 1HD1 LEU 5 -1.531 10.731 -5.002 36 HD12 LEU 5 2HD1 LEU 5 -1.897 9.505 -3.789 37 HD13 LEU 5 3HD1 LEU 5 -1.200 9.031 -5.338 38 HD21 LEU 5 3HD2 LEU 5 0.553 11.091 -5.764 39 HD22 LEU 5 1HD2 LEU 5 1.692 9.771 -5.499 40 HD23 LEU 5 2HD2 LEU 5 1.805 11.240 -4.530 41 H CYS 6 H CYS 6 -0.488 10.445 0.818 42 HA CYS 6 HA CYS 6 -1.877 7.933 0.907 43 HB2 CYS 6 2HB CYS 6 -0.928 9.466 2.852 44 HB3 CYS 6 3HB CYS 6 -2.544 10.162 2.777 45 H LYS 7 H LYS 7 -2.860 8.726 -1.305 46 HA LYS 7 HA LYS 7 -5.055 10.528 -1.198 47 HB2 LYS 7 2HB LYS 7 -3.812 8.766 -3.176 48 HB3 LYS 7 3HB LYS 7 -5.559 8.875 -3.350 49 HG2 LYS 7 2HG LYS 7 -4.299 10.517 -4.713 50 HG3 LYS 7 3HG LYS 7 -5.456 11.249 -3.598 51 HD2 LYS 7 2HD LYS 7 -2.852 10.922 -2.375 52 HD3 LYS 7 3HD LYS 7 -2.758 11.877 -3.856 53 HE2 LYS 7 2HE LYS 7 -4.916 13.005 -2.744 54 HE3 LYS 7 3HE LYS 7 -4.088 12.477 -1.280 55 HZ1 LYS 7 3HZ LYS 7 -2.057 13.601 -2.350 56 HZ2 LYS 7 1HZ LYS 7 -3.240 14.579 -1.638 57 HZ3 LYS 7 2HZ LYS 7 -3.187 14.404 -3.319 58 HA PRO 8 HA PRO 8 -8.353 8.063 0.319 59 HB2 PRO 8 2HB PRO 8 -10.423 8.822 -1.265 60 HB3 PRO 8 3HB PRO 8 -9.732 9.869 -0.020 61 HG2 PRO 8 2HG PRO 8 -9.239 9.859 -2.972 62 HG3 PRO 8 3HG PRO 8 -9.481 11.237 -1.883 63 HD2 PRO 8 2HD PRO 8 -7.028 10.462 -2.729 64 HD3 PRO 8 3HD PRO 8 -7.303 11.188 -1.132 65 H SER 9 H SER 9 -8.781 5.966 0.082 66 HA SER 9 HA SER 9 -9.200 3.927 -0.835 67 HB2 SER 9 2HB SER 9 -10.033 5.366 -3.356 68 HB3 SER 9 3HB SER 9 -10.570 3.788 -2.782 69 HG SER 9 HG SER 9 -11.714 4.782 -1.157 70 H CYS 10 H CYS 10 -6.630 4.468 -0.818 71 HA CYS 10 HA CYS 10 -5.588 3.965 -3.517 72 HB2 CYS 10 2HB CYS 10 -3.551 4.871 -2.846 73 HB3 CYS 10 3HB CYS 10 -4.711 5.855 -1.961 74 H THR 11 H THR 11 -6.808 2.099 -1.337 75 HA THR 11 HA THR 11 -6.598 -0.121 -0.852 76 HB THR 11 HB THR 11 -4.044 -0.241 -2.439 77 HG1 THR 11 HG1 THR 11 -6.669 0.166 -3.334 78 HG21 THR 11 3HG2 THR 11 -5.659 -2.438 -2.968 79 HG22 THR 11 1HG2 THR 11 -5.887 -2.137 -1.246 80 HG23 THR 11 2HG2 THR 11 -4.265 -2.396 -1.890 81 H ASN 12 H ASN 12 -4.846 2.224 0.320 82 HA ASN 12 HA ASN 12 -3.759 0.673 2.449 83 HB2 ASN 12 2HB ASN 12 -2.061 1.037 0.230 84 HB3 ASN 12 3HB ASN 12 -1.490 2.156 1.465 85 HD21 ASN 12 1HD2 ASN 12 -0.551 1.378 3.300 86 HD22 ASN 12 2HD2 ASN 12 -0.166 -0.289 3.538 87 H CYS 13 H CYS 13 -5.522 2.978 1.910 88 HA CYS 13 HA CYS 13 -4.578 4.664 4.034 89 HB2 CYS 13 2HB CYS 13 -3.391 5.579 2.026 90 HB3 CYS 13 3HB CYS 13 -4.963 5.926 1.313 91 HN1 NH2 14 2HN NH2 14 -8.251 5.189 2.152 92 HN2 NH2 14 1HN NH2 14 -6.827 4.944 1.201 Start of MODEL 15 1 H1 MET 1 1HN MET 1 0.156 -0.492 0.460 2 H2 MET 1 2HN MET 1 0.637 0.243 -1.018 3 H3 MET 1 3HN MET 1 1.770 -0.775 -0.168 4 HA MET 1 HA MET 1 0.842 1.301 1.544 5 HB2 MET 1 2HB MET 1 3.039 -0.206 1.533 6 HB3 MET 1 3HB MET 1 3.696 1.078 0.507 7 HG2 MET 1 2HG MET 1 3.397 2.768 2.342 8 HG3 MET 1 3HG MET 1 2.415 1.619 3.262 9 HE1 MET 1 3HE MET 1 7.023 1.568 3.456 10 HE2 MET 1 1HE MET 1 6.150 2.320 2.074 11 HE3 MET 1 2HE MET 1 5.997 3.004 3.719 12 H CYS 2 H CYS 2 0.633 3.486 1.205 13 HA CYS 2 HA CYS 2 1.400 4.471 -1.466 14 HB2 CYS 2 2HB CYS 2 -0.805 5.686 0.178 15 HB3 CYS 2 3HB CYS 2 -0.523 5.816 -1.555 16 HA PRO 3 HA PRO 3 3.716 6.836 1.833 17 HB2 PRO 3 2HB PRO 3 6.162 6.530 0.697 18 HB3 PRO 3 3HB PRO 3 5.476 5.359 1.830 19 HG2 PRO 3 2HG PRO 3 5.568 5.272 -1.161 20 HG3 PRO 3 3HG PRO 3 5.875 3.973 0.006 21 HD2 PRO 3 2HD PRO 3 3.524 4.219 -1.315 22 HD3 PRO 3 3HD PRO 3 3.630 3.564 0.331 23 HA PRO 4 HA PRO 4 4.940 9.370 -2.168 24 HB2 PRO 4 2HB PRO 4 3.335 8.845 -4.294 25 HB3 PRO 4 3HB PRO 4 4.866 8.008 -4.017 26 HG2 PRO 4 2HG PRO 4 2.078 7.107 -3.405 27 HG3 PRO 4 3HG PRO 4 3.421 6.188 -4.110 28 HD2 PRO 4 2HD PRO 4 2.728 5.985 -1.500 29 HD3 PRO 4 3HD PRO 4 4.404 5.810 -2.059 30 H LEU 5 H LEU 5 1.700 8.432 -1.256 31 HA LEU 5 HA LEU 5 0.880 10.988 -0.535 32 HB2 LEU 5 2HB LEU 5 -0.864 11.269 -2.403 33 HB3 LEU 5 3HB LEU 5 0.800 11.760 -2.712 34 HG LEU 5 HG LEU 5 0.510 9.056 -3.542 35 HD11 LEU 5 1HD1 LEU 5 -1.912 9.579 -3.624 36 HD12 LEU 5 2HD1 LEU 5 -1.217 9.213 -5.203 37 HD13 LEU 5 3HD1 LEU 5 -1.556 10.885 -4.755 38 HD21 LEU 5 3HD2 LEU 5 1.656 9.820 -5.321 39 HD22 LEU 5 1HD2 LEU 5 1.837 11.273 -4.338 40 HD23 LEU 5 2HD2 LEU 5 0.573 11.191 -5.566 41 H CYS 6 H CYS 6 -0.586 10.577 0.969 42 HA CYS 6 HA CYS 6 -1.973 8.065 1.055 43 HB2 CYS 6 2HB CYS 6 -1.082 9.579 3.015 44 HB3 CYS 6 3HB CYS 6 -2.657 10.351 2.862 45 H LYS 7 H LYS 7 -2.992 8.592 -1.121 46 HA LYS 7 HA LYS 7 -5.176 10.460 -1.127 47 HB2 LYS 7 2HB LYS 7 -3.824 8.739 -3.055 48 HB3 LYS 7 3HB LYS 7 -5.569 8.751 -3.275 49 HG2 LYS 7 2HG LYS 7 -4.281 10.452 -4.601 50 HG3 LYS 7 3HG LYS 7 -5.608 11.085 -3.625 51 HD2 LYS 7 2HD LYS 7 -4.161 12.020 -2.051 52 HD3 LYS 7 3HD LYS 7 -2.806 11.008 -2.557 53 HE2 LYS 7 2HE LYS 7 -3.012 12.251 -4.807 54 HE3 LYS 7 3HE LYS 7 -3.967 13.424 -3.902 55 HZ1 LYS 7 3HZ LYS 7 -1.830 13.156 -2.322 56 HZ2 LYS 7 1HZ LYS 7 -1.971 14.341 -3.522 57 HZ3 LYS 7 2HZ LYS 7 -1.117 12.916 -3.837 58 HA PRO 8 HA PRO 8 -8.448 7.936 0.350 59 HB2 PRO 8 2HB PRO 8 -10.513 8.711 -1.233 60 HB3 PRO 8 3HB PRO 8 -9.839 9.738 0.038 61 HG2 PRO 8 2HG PRO 8 -9.325 9.790 -2.911 62 HG3 PRO 8 3HG PRO 8 -9.586 11.145 -1.797 63 HD2 PRO 8 2HD PRO 8 -7.121 10.406 -2.640 64 HD3 PRO 8 3HD PRO 8 -7.413 11.097 -1.031 65 H SER 9 H SER 9 -8.905 5.850 0.070 66 HA SER 9 HA SER 9 -9.318 3.829 -0.891 67 HB2 SER 9 2HB SER 9 -10.019 5.209 -3.471 68 HB3 SER 9 3HB SER 9 -10.698 3.732 -2.789 69 HG SER 9 HG SER 9 -11.981 4.880 -1.528 70 H CYS 10 H CYS 10 -6.718 4.523 -0.823 71 HA CYS 10 HA CYS 10 -5.616 3.937 -3.478 72 HB2 CYS 10 2HB CYS 10 -3.616 4.913 -2.797 73 HB3 CYS 10 3HB CYS 10 -4.815 5.891 -1.957 74 H THR 11 H THR 11 -6.829 2.113 -1.250 75 HA THR 11 HA THR 11 -6.577 -0.083 -0.686 76 HB THR 11 HB THR 11 -4.015 -0.205 -2.260 77 HG1 THR 11 HG1 THR 11 -6.680 -0.342 -3.272 78 HG21 THR 11 3HG2 THR 11 -5.922 -2.382 -2.505 79 HG22 THR 11 1HG2 THR 11 -5.462 -2.089 -0.829 80 HG23 THR 11 2HG2 THR 11 -4.222 -2.421 -2.038 81 H ASN 12 H ASN 12 -4.892 2.329 0.428 82 HA ASN 12 HA ASN 12 -3.772 0.865 2.600 83 HB2 ASN 12 2HB ASN 12 -2.075 1.222 0.378 84 HB3 ASN 12 3HB ASN 12 -1.538 2.380 1.592 85 HD21 ASN 12 1HD2 ASN 12 -2.080 -0.997 0.894 86 HD22 ASN 12 2HD2 ASN 12 -1.079 -1.619 2.158 87 H CYS 13 H CYS 13 -5.593 3.107 1.991 88 HA CYS 13 HA CYS 13 -4.706 4.873 4.075 89 HB2 CYS 13 2HB CYS 13 -3.529 5.767 2.053 90 HB3 CYS 13 3HB CYS 13 -5.104 6.051 1.319 91 HN1 NH2 14 2HN NH2 14 -8.376 5.275 2.158 92 HN2 NH2 14 1HN NH2 14 -6.938 5.054 1.222 Start of MODEL 16 1 H1 MET 1 1HN MET 1 1.883 0.216 -2.300 2 H2 MET 1 2HN MET 1 3.187 -0.295 -1.302 3 H3 MET 1 3HN MET 1 1.581 -0.892 -0.973 4 HA MET 1 HA MET 1 0.874 0.943 0.075 5 HB2 MET 1 2HB MET 1 3.122 0.125 1.136 6 HB3 MET 1 3HB MET 1 3.844 1.580 0.431 7 HG2 MET 1 2HG MET 1 2.684 3.037 1.969 8 HG3 MET 1 3HG MET 1 1.307 1.931 2.077 9 HE1 MET 1 3HE MET 1 2.833 2.477 5.697 10 HE2 MET 1 1HE MET 1 1.621 3.097 4.521 11 HE3 MET 1 2HE MET 1 1.327 1.568 5.400 12 H CYS 2 H CYS 2 0.893 3.380 0.313 13 HA CYS 2 HA CYS 2 1.695 4.610 -2.243 14 HB2 CYS 2 2HB CYS 2 -0.579 5.602 -0.537 15 HB3 CYS 2 3HB CYS 2 -0.256 5.935 -2.236 16 HA PRO 3 HA PRO 3 3.910 6.739 1.269 17 HB2 PRO 3 2HB PRO 3 6.366 6.633 0.116 18 HB3 PRO 3 3HB PRO 3 5.722 5.333 1.126 19 HG2 PRO 3 2HG PRO 3 5.815 5.544 -1.859 20 HG3 PRO 3 3HG PRO 3 6.170 4.148 -0.825 21 HD2 PRO 3 2HD PRO 3 3.811 4.439 -2.122 22 HD3 PRO 3 3HD PRO 3 3.941 3.629 -0.547 23 HA PRO 4 HA PRO 4 5.040 9.696 -2.461 24 HB2 PRO 4 2HB PRO 4 3.451 9.326 -4.631 25 HB3 PRO 4 3HB PRO 4 5.012 8.520 -4.435 26 HG2 PRO 4 2HG PRO 4 2.258 7.466 -3.920 27 HG3 PRO 4 3HG PRO 4 3.632 6.669 -4.709 28 HD2 PRO 4 2HD PRO 4 2.950 6.185 -2.133 29 HD3 PRO 4 3HD PRO 4 4.630 6.126 -2.703 30 H LEU 5 H LEU 5 1.837 8.559 -1.649 31 HA LEU 5 HA LEU 5 0.932 11.011 -0.694 32 HB2 LEU 5 2HB LEU 5 -0.854 11.346 -2.538 33 HB3 LEU 5 3HB LEU 5 0.772 11.986 -2.770 34 HG LEU 5 HG LEU 5 0.655 9.351 -3.862 35 HD11 LEU 5 1HD1 LEU 5 -1.425 11.200 -5.008 36 HD12 LEU 5 2HD1 LEU 5 -1.796 9.835 -3.955 37 HD13 LEU 5 3HD1 LEU 5 -1.038 9.558 -5.523 38 HD21 LEU 5 3HD2 LEU 5 2.256 10.917 -4.620 39 HD22 LEU 5 1HD2 LEU 5 1.017 12.121 -4.978 40 HD23 LEU 5 2HD2 LEU 5 1.142 10.665 -5.966 41 H CYS 6 H CYS 6 -0.464 10.381 0.799 42 HA CYS 6 HA CYS 6 -1.776 7.833 0.652 43 HB2 CYS 6 2HB CYS 6 -0.882 9.038 2.753 44 HB3 CYS 6 3HB CYS 6 -2.376 9.968 2.687 45 H LYS 7 H LYS 7 -2.811 8.662 -1.469 46 HA LYS 7 HA LYS 7 -5.060 10.413 -1.232 47 HB2 LYS 7 2HB LYS 7 -3.729 8.895 -3.353 48 HB3 LYS 7 3HB LYS 7 -5.477 8.962 -3.539 49 HG2 LYS 7 2HG LYS 7 -4.283 10.769 -4.726 50 HG3 LYS 7 3HG LYS 7 -5.445 11.360 -3.536 51 HD2 LYS 7 2HD LYS 7 -2.829 10.979 -2.362 52 HD3 LYS 7 3HD LYS 7 -2.759 12.065 -3.751 53 HE2 LYS 7 2HE LYS 7 -4.883 13.118 -2.596 54 HE3 LYS 7 3HE LYS 7 -4.186 12.377 -1.156 55 HZ1 LYS 7 3HZ LYS 7 -2.900 14.372 -2.937 56 HZ2 LYS 7 1HZ LYS 7 -2.091 13.558 -1.694 57 HZ3 LYS 7 2HZ LYS 7 -3.376 14.595 -1.329 58 HA PRO 8 HA PRO 8 -8.280 7.685 -0.036 59 HB2 PRO 8 2HB PRO 8 -10.338 8.445 -1.634 60 HB3 PRO 8 3HB PRO 8 -9.744 9.436 -0.296 61 HG2 PRO 8 2HG PRO 8 -9.160 9.660 -3.224 62 HG3 PRO 8 3HG PRO 8 -9.511 10.943 -2.052 63 HD2 PRO 8 2HD PRO 8 -6.995 10.359 -2.863 64 HD3 PRO 8 3HD PRO 8 -7.357 10.954 -1.231 65 H SER 9 H SER 9 -9.096 5.691 -0.484 66 HA SER 9 HA SER 9 -9.469 3.729 -1.574 67 HB2 SER 9 2HB SER 9 -10.652 5.577 -3.150 68 HB3 SER 9 3HB SER 9 -9.461 4.935 -4.282 69 HG SER 9 HG SER 9 -11.301 3.366 -2.794 70 H CYS 10 H CYS 10 -6.802 4.546 -1.071 71 HA CYS 10 HA CYS 10 -5.340 3.536 -3.412 72 HB2 CYS 10 2HB CYS 10 -4.761 5.770 -2.204 73 HB3 CYS 10 3HB CYS 10 -4.028 4.729 -0.988 74 H THR 11 H THR 11 -6.807 2.213 -0.934 75 HA THR 11 HA THR 11 -6.616 0.242 0.190 76 HB THR 11 HB THR 11 -5.458 -1.497 -0.773 77 HG1 THR 11 HG1 THR 11 -3.400 -1.313 -1.610 78 HG21 THR 11 3HG2 THR 11 -5.685 -1.326 -3.089 79 HG22 THR 11 1HG2 THR 11 -5.204 0.370 -3.108 80 HG23 THR 11 2HG2 THR 11 -6.788 -0.090 -2.484 81 H ASN 12 H ASN 12 -6.028 0.197 2.249 82 HA ASN 12 HA ASN 12 -4.798 0.333 4.158 83 HB2 ASN 12 2HB ASN 12 -3.274 -1.166 2.716 84 HB3 ASN 12 3HB ASN 12 -2.293 0.279 2.488 85 HD21 ASN 12 1HD2 ASN 12 -0.677 -1.111 3.536 86 HD22 ASN 12 2HD2 ASN 12 -0.608 -1.127 5.263 87 H CYS 13 H CYS 13 -5.594 2.728 2.740 88 HA CYS 13 HA CYS 13 -3.981 4.617 4.185 89 HB2 CYS 13 2HB CYS 13 -3.162 4.069 1.592 90 HB3 CYS 13 3HB CYS 13 -4.132 5.528 1.419 91 HN1 NH2 14 2HN NH2 14 -7.025 6.297 4.450 92 HN2 NH2 14 1HN NH2 14 -5.636 5.626 5.234 Start of MODEL 17 1 H1 MET 1 1HN MET 1 0.609 0.649 -0.871 2 H2 MET 1 2HN MET 1 2.091 0.041 -1.496 3 H3 MET 1 3HN MET 1 1.529 -0.522 0.056 4 HA MET 1 HA MET 1 1.833 1.592 1.076 5 HB2 MET 1 2HB MET 1 3.897 -0.063 0.442 6 HB3 MET 1 3HB MET 1 4.440 1.375 -0.437 7 HG2 MET 1 2HG MET 1 5.100 2.424 1.572 8 HG3 MET 1 3HG MET 1 3.530 2.065 2.306 9 HE1 MET 1 3HE MET 1 6.581 0.423 4.693 10 HE2 MET 1 1HE MET 1 7.013 1.606 3.408 11 HE3 MET 1 2HE MET 1 5.654 1.937 4.522 12 H CYS 2 H CYS 2 1.166 3.645 0.682 13 HA CYS 2 HA CYS 2 1.991 4.863 -1.873 14 HB2 CYS 2 2HB CYS 2 -0.442 5.669 -0.283 15 HB3 CYS 2 3HB CYS 2 -0.045 6.087 -1.947 16 HA PRO 3 HA PRO 3 3.872 7.234 1.682 17 HB2 PRO 3 2HB PRO 3 6.389 7.261 0.664 18 HB3 PRO 3 3HB PRO 3 5.778 5.951 1.682 19 HG2 PRO 3 2HG PRO 3 6.021 6.077 -1.299 20 HG3 PRO 3 3HG PRO 3 6.409 4.741 -0.201 21 HD2 PRO 3 2HD PRO 3 4.111 4.831 -1.630 22 HD3 PRO 3 3HD PRO 3 4.208 4.080 -0.024 23 HA PRO 4 HA PRO 4 5.003 10.145 -2.084 24 HB2 PRO 4 2HB PRO 4 3.553 9.607 -4.315 25 HB3 PRO 4 3HB PRO 4 5.150 8.911 -4.016 26 HG2 PRO 4 2HG PRO 4 2.446 7.695 -3.601 27 HG3 PRO 4 3HG PRO 4 3.906 6.966 -4.295 28 HD2 PRO 4 2HD PRO 4 3.126 6.518 -1.741 29 HD3 PRO 4 3HD PRO 4 4.834 6.551 -2.227 30 H LEU 5 H LEU 5 1.842 8.827 -1.392 31 HA LEU 5 HA LEU 5 0.737 11.248 -0.569 32 HB2 LEU 5 2HB LEU 5 -0.974 11.410 -2.496 33 HB3 LEU 5 3HB LEU 5 0.623 12.127 -2.695 34 HG LEU 5 HG LEU 5 0.682 9.443 -3.675 35 HD11 LEU 5 1HD1 LEU 5 -1.444 11.148 -4.957 36 HD12 LEU 5 2HD1 LEU 5 -1.775 9.778 -3.898 37 HD13 LEU 5 3HD1 LEU 5 -0.940 9.526 -5.430 38 HD21 LEU 5 3HD2 LEU 5 0.933 12.167 -4.935 39 HD22 LEU 5 1HD2 LEU 5 1.240 10.657 -5.794 40 HD23 LEU 5 2HD2 LEU 5 2.232 11.098 -4.403 41 H CYS 6 H CYS 6 -0.525 10.442 0.966 42 HA CYS 6 HA CYS 6 -1.771 7.867 0.733 43 HB2 CYS 6 2HB CYS 6 -0.888 8.748 2.882 44 HB3 CYS 6 3HB CYS 6 -2.143 9.983 2.862 45 H LYS 7 H LYS 7 -2.913 8.672 -1.303 46 HA LYS 7 HA LYS 7 -5.207 10.364 -0.918 47 HB2 LYS 7 2HB LYS 7 -3.762 9.271 -3.136 48 HB3 LYS 7 3HB LYS 7 -5.466 8.873 -3.317 49 HG2 LYS 7 2HG LYS 7 -5.644 10.888 -4.252 50 HG3 LYS 7 3HG LYS 7 -5.569 11.506 -2.600 51 HD2 LYS 7 2HD LYS 7 -2.947 11.275 -3.098 52 HD3 LYS 7 3HD LYS 7 -3.526 11.542 -4.744 53 HE2 LYS 7 2HE LYS 7 -4.908 13.438 -3.366 54 HE3 LYS 7 3HE LYS 7 -3.399 13.381 -2.457 55 HZ1 LYS 7 3HZ LYS 7 -3.742 13.944 -5.348 56 HZ2 LYS 7 1HZ LYS 7 -2.238 13.636 -4.637 57 HZ3 LYS 7 2HZ LYS 7 -3.139 14.984 -4.157 58 HA PRO 8 HA PRO 8 -8.179 7.366 0.295 59 HB2 PRO 8 2HB PRO 8 -10.421 8.384 -0.848 60 HB3 PRO 8 3HB PRO 8 -9.646 9.114 0.563 61 HG2 PRO 8 2HG PRO 8 -9.450 9.892 -2.321 62 HG3 PRO 8 3HG PRO 8 -9.630 10.927 -0.892 63 HD2 PRO 8 2HD PRO 8 -7.248 10.543 -2.121 64 HD3 PRO 8 3HD PRO 8 -7.387 10.815 -0.373 65 H SER 9 H SER 9 -6.901 5.935 -1.343 66 HA SER 9 HA SER 9 -8.712 4.349 -2.738 67 HB2 SER 9 2HB SER 9 -8.196 6.640 -4.200 68 HB3 SER 9 3HB SER 9 -7.086 5.462 -4.900 69 HG SER 9 HG SER 9 -9.903 5.294 -4.671 70 H CYS 10 H CYS 10 -6.468 4.124 -0.982 71 HA CYS 10 HA CYS 10 -4.522 2.682 -2.651 72 HB2 CYS 10 2HB CYS 10 -4.313 3.995 0.046 73 HB3 CYS 10 3HB CYS 10 -3.153 2.768 -0.453 74 H THR 11 H THR 11 -7.239 2.043 -1.057 75 HA THR 11 HA THR 11 -8.197 0.141 -0.249 76 HB THR 11 HB THR 11 -5.660 -1.372 -0.826 77 HG1 THR 11 HG1 THR 11 -6.060 -1.278 -2.935 78 HG21 THR 11 3HG2 THR 11 -8.104 -2.637 -1.624 79 HG22 THR 11 1HG2 THR 11 -8.249 -2.080 0.042 80 HG23 THR 11 2HG2 THR 11 -6.929 -3.156 -0.416 81 H ASN 12 H ASN 12 -5.963 1.804 1.223 82 HA ASN 12 HA ASN 12 -6.386 0.766 3.771 83 HB2 ASN 12 2HB ASN 12 -3.990 -0.048 4.197 84 HB3 ASN 12 3HB ASN 12 -5.063 -1.132 3.317 85 HD21 ASN 12 1HD2 ASN 12 -4.301 -1.978 1.522 86 HD22 ASN 12 2HD2 ASN 12 -2.985 -1.365 0.587 87 H CYS 13 H CYS 13 -6.244 3.270 2.387 88 HA CYS 13 HA CYS 13 -4.638 4.725 4.286 89 HB2 CYS 13 2HB CYS 13 -3.286 4.054 2.056 90 HB3 CYS 13 3HB CYS 13 -4.049 5.538 1.495 91 HN1 NH2 14 2HN NH2 14 -7.534 6.247 1.753 92 HN2 NH2 14 1HN NH2 14 -6.691 4.793 1.345 Start of MODEL 18 1 H1 MET 1 1HN MET 1 2.989 -0.371 -1.427 2 H2 MET 1 2HN MET 1 1.276 -0.252 -1.341 3 H3 MET 1 3HN MET 1 2.134 0.689 -2.533 4 HA MET 1 HA MET 1 1.446 1.397 0.110 5 HB2 MET 1 2HB MET 1 3.856 0.335 0.415 6 HB3 MET 1 3HB MET 1 4.427 1.819 -0.364 7 HG2 MET 1 2HG MET 1 4.235 2.964 1.680 8 HG3 MET 1 3HG MET 1 2.516 2.548 1.730 9 HE1 MET 1 3HE MET 1 1.598 1.159 4.256 10 HE2 MET 1 1HE MET 1 1.298 0.547 2.591 11 HE3 MET 1 2HE MET 1 1.977 -0.534 3.842 12 H CYS 2 H CYS 2 1.186 3.670 0.153 13 HA CYS 2 HA CYS 2 1.882 5.010 -2.379 14 HB2 CYS 2 2HB CYS 2 -0.449 5.736 -0.604 15 HB3 CYS 2 3HB CYS 2 -0.135 6.277 -2.249 16 HA PRO 3 HA PRO 3 4.009 7.174 1.167 17 HB2 PRO 3 2HB PRO 3 6.454 7.241 -0.012 18 HB3 PRO 3 3HB PRO 3 5.898 5.880 0.970 19 HG2 PRO 3 2HG PRO 3 5.946 6.171 -2.009 20 HG3 PRO 3 3HG PRO 3 6.392 4.772 -1.014 21 HD2 PRO 3 2HD PRO 3 4.006 4.957 -2.281 22 HD3 PRO 3 3HD PRO 3 4.201 4.118 -0.729 23 HA PRO 4 HA PRO 4 4.923 10.284 -2.498 24 HB2 PRO 4 2HB PRO 4 3.332 9.877 -4.660 25 HB3 PRO 4 3HB PRO 4 4.939 9.158 -4.501 26 HG2 PRO 4 2HG PRO 4 2.256 7.935 -3.984 27 HG3 PRO 4 3HG PRO 4 3.663 7.238 -4.807 28 HD2 PRO 4 2HD PRO 4 3.041 6.652 -2.238 29 HD3 PRO 4 3HD PRO 4 4.715 6.703 -2.827 30 H LEU 5 H LEU 5 1.803 8.946 -1.676 31 HA LEU 5 HA LEU 5 0.773 11.322 -0.654 32 HB2 LEU 5 2HB LEU 5 -1.049 11.620 -2.449 33 HB3 LEU 5 3HB LEU 5 0.548 12.309 -2.731 34 HG LEU 5 HG LEU 5 0.484 9.683 -3.841 35 HD11 LEU 5 1HD1 LEU 5 -1.581 11.352 -5.178 36 HD12 LEU 5 2HD1 LEU 5 -2.051 10.391 -3.777 37 HD13 LEU 5 3HD1 LEU 5 -1.355 9.603 -5.193 38 HD21 LEU 5 3HD2 LEU 5 1.607 12.084 -4.401 39 HD22 LEU 5 1HD2 LEU 5 0.345 12.009 -5.630 40 HD23 LEU 5 2HD2 LEU 5 1.549 10.725 -5.524 41 H CYS 6 H CYS 6 -0.488 10.520 0.877 42 HA CYS 6 HA CYS 6 -1.697 7.929 0.651 43 HB2 CYS 6 2HB CYS 6 -0.800 8.780 2.791 44 HB3 CYS 6 3HB CYS 6 -2.033 10.037 2.795 45 H LYS 7 H LYS 7 -2.926 8.624 -1.333 46 HA LYS 7 HA LYS 7 -5.257 10.279 -0.870 47 HB2 LYS 7 2HB LYS 7 -3.866 9.152 -3.182 48 HB3 LYS 7 3HB LYS 7 -5.617 9.057 -3.322 49 HG2 LYS 7 2HG LYS 7 -4.646 11.103 -4.315 50 HG3 LYS 7 3HG LYS 7 -5.831 11.427 -3.047 51 HD2 LYS 7 2HD LYS 7 -4.273 12.273 -1.620 52 HD3 LYS 7 3HD LYS 7 -2.990 11.222 -2.224 53 HE2 LYS 7 2HE LYS 7 -2.853 12.590 -4.260 54 HE3 LYS 7 3HE LYS 7 -4.112 13.648 -3.625 55 HZ1 LYS 7 3HZ LYS 7 -1.359 13.783 -3.175 56 HZ2 LYS 7 1HZ LYS 7 -2.092 13.405 -1.698 57 HZ3 LYS 7 2HZ LYS 7 -2.569 14.787 -2.549 58 HA PRO 8 HA PRO 8 -8.160 7.143 0.129 59 HB2 PRO 8 2HB PRO 8 -10.378 7.983 -1.192 60 HB3 PRO 8 3HB PRO 8 -9.751 8.797 0.246 61 HG2 PRO 8 2HG PRO 8 -9.405 9.516 -2.639 62 HG3 PRO 8 3HG PRO 8 -9.750 10.572 -1.256 63 HD2 PRO 8 2HD PRO 8 -7.269 10.315 -2.310 64 HD3 PRO 8 3HD PRO 8 -7.546 10.620 -0.583 65 H SER 9 H SER 9 -6.670 5.776 -1.394 66 HA SER 9 HA SER 9 -8.272 4.028 -2.849 67 HB2 SER 9 2HB SER 9 -7.836 6.317 -4.340 68 HB3 SER 9 3HB SER 9 -6.603 5.209 -4.940 69 HG SER 9 HG SER 9 -8.552 3.675 -4.943 70 H CYS 10 H CYS 10 -6.127 4.015 -0.958 71 HA CYS 10 HA CYS 10 -3.968 2.706 -2.465 72 HB2 CYS 10 2HB CYS 10 -3.510 4.645 -0.828 73 HB3 CYS 10 3HB CYS 10 -3.834 3.470 0.443 74 H THR 11 H THR 11 -6.740 1.887 -1.013 75 HA THR 11 HA THR 11 -7.610 -0.082 -0.264 76 HB THR 11 HB THR 11 -4.953 -1.418 -0.719 77 HG1 THR 11 HG1 THR 11 -6.809 -0.440 -2.607 78 HG21 THR 11 3HG2 THR 11 -7.736 -2.245 -0.308 79 HG22 THR 11 1HG2 THR 11 -6.239 -3.131 -0.025 80 HG23 THR 11 2HG2 THR 11 -6.928 -3.059 -1.647 81 H ASN 12 H ASN 12 -5.523 1.704 1.308 82 HA ASN 12 HA ASN 12 -6.026 0.670 3.838 83 HB2 ASN 12 2HB ASN 12 -4.106 -0.880 2.572 84 HB3 ASN 12 3HB ASN 12 -3.156 0.210 3.578 85 HD21 ASN 12 1HD2 ASN 12 -3.737 0.329 5.860 86 HD22 ASN 12 2HD2 ASN 12 -4.331 -1.093 6.641 87 H CYS 13 H CYS 13 -5.878 3.165 2.429 88 HA CYS 13 HA CYS 13 -4.423 4.685 4.396 89 HB2 CYS 13 2HB CYS 13 -2.883 4.024 2.323 90 HB3 CYS 13 3HB CYS 13 -3.690 5.412 1.602 91 HN1 NH2 14 2HN NH2 14 -6.846 6.414 1.491 92 HN2 NH2 14 1HN NH2 14 -5.730 5.169 1.048 Start of MODEL 19 1 H1 MET 1 1HN MET 1 2.426 -0.006 -1.600 2 H2 MET 1 2HN MET 1 3.880 0.758 -1.093 3 H3 MET 1 3HN MET 1 3.164 -0.466 -0.076 4 HA MET 1 HA MET 1 1.130 0.995 0.086 5 HB2 MET 1 2HB MET 1 2.107 2.468 1.865 6 HB3 MET 1 3HB MET 1 2.510 0.754 2.057 7 HG2 MET 1 2HG MET 1 4.726 1.827 0.547 8 HG3 MET 1 3HG MET 1 4.296 3.104 1.694 9 HE1 MET 1 3HE MET 1 7.473 1.299 2.739 10 HE2 MET 1 1HE MET 1 6.845 -0.374 2.531 11 HE3 MET 1 2HE MET 1 6.689 0.819 1.209 12 H CYS 2 H CYS 2 1.064 3.636 0.579 13 HA CYS 2 HA CYS 2 1.896 4.834 -1.983 14 HB2 CYS 2 2HB CYS 2 -0.489 5.708 -0.357 15 HB3 CYS 2 3HB CYS 2 -0.102 6.124 -2.024 16 HA PRO 3 HA PRO 3 3.910 7.143 1.535 17 HB2 PRO 3 2HB PRO 3 6.402 7.114 0.458 18 HB3 PRO 3 3HB PRO 3 5.783 5.813 1.483 19 HG2 PRO 3 2HG PRO 3 5.959 5.953 -1.503 20 HG3 PRO 3 3HG PRO 3 6.340 4.600 -0.422 21 HD2 PRO 3 2HD PRO 3 4.012 4.756 -1.795 22 HD3 PRO 3 3HD PRO 3 4.128 3.993 -0.197 23 HA PRO 4 HA PRO 4 5.026 10.051 -2.237 24 HB2 PRO 4 2HB PRO 4 3.519 9.560 -4.441 25 HB3 PRO 4 3HB PRO 4 5.105 8.826 -4.179 26 HG2 PRO 4 2HG PRO 4 2.383 7.670 -3.715 27 HG3 PRO 4 3HG PRO 4 3.811 6.912 -4.444 28 HD2 PRO 4 2HD PRO 4 3.074 6.465 -1.877 29 HD3 PRO 4 3HD PRO 4 4.772 6.462 -2.398 30 H LEU 5 H LEU 5 1.844 8.798 -1.507 31 HA LEU 5 HA LEU 5 0.808 11.219 -0.618 32 HB2 LEU 5 2HB LEU 5 -0.899 11.520 -2.516 33 HB3 LEU 5 3HB LEU 5 0.733 12.149 -2.735 34 HG LEU 5 HG LEU 5 0.654 9.500 -3.773 35 HD11 LEU 5 1HD1 LEU 5 -1.468 11.274 -4.963 36 HD12 LEU 5 2HD1 LEU 5 -1.807 9.922 -3.883 37 HD13 LEU 5 3HD1 LEU 5 -1.040 9.632 -5.444 38 HD21 LEU 5 3HD2 LEU 5 1.850 11.856 -4.355 39 HD22 LEU 5 1HD2 LEU 5 0.635 11.778 -5.631 40 HD23 LEU 5 2HD2 LEU 5 1.804 10.470 -5.445 41 H CYS 6 H CYS 6 -0.622 10.544 0.823 42 HA CYS 6 HA CYS 6 -1.833 7.949 0.639 43 HB2 CYS 6 2HB CYS 6 -1.104 8.929 2.795 44 HB3 CYS 6 3HB CYS 6 -2.342 10.170 2.630 45 H LYS 7 H LYS 7 -2.872 8.576 -1.486 46 HA LYS 7 HA LYS 7 -5.187 10.285 -1.350 47 HB2 LYS 7 2HB LYS 7 -3.668 8.905 -3.421 48 HB3 LYS 7 3HB LYS 7 -5.404 8.796 -3.681 49 HG2 LYS 7 2HG LYS 7 -4.396 10.716 -4.825 50 HG3 LYS 7 3HG LYS 7 -5.604 11.201 -3.632 51 HD2 LYS 7 2HD LYS 7 -3.025 11.053 -2.390 52 HD3 LYS 7 3HD LYS 7 -2.929 12.059 -3.837 53 HE2 LYS 7 2HE LYS 7 -5.084 13.159 -2.914 54 HE3 LYS 7 3HE LYS 7 -4.608 12.425 -1.384 55 HZ1 LYS 7 3HZ LYS 7 -2.325 13.562 -2.071 56 HZ2 LYS 7 1HZ LYS 7 -3.513 14.372 -1.179 57 HZ3 LYS 7 2HZ LYS 7 -3.387 14.627 -2.846 58 HA PRO 8 HA PRO 8 -8.220 7.340 -0.163 59 HB2 PRO 8 2HB PRO 8 -10.381 8.241 -1.538 60 HB3 PRO 8 3HB PRO 8 -9.720 9.081 -0.130 61 HG2 PRO 8 2HG PRO 8 -9.317 9.656 -3.040 62 HG3 PRO 8 3HG PRO 8 -9.612 10.787 -1.707 63 HD2 PRO 8 2HD PRO 8 -7.142 10.351 -2.727 64 HD3 PRO 8 3HD PRO 8 -7.413 10.745 -1.017 65 H SER 9 H SER 9 -6.831 5.796 -1.571 66 HA SER 9 HA SER 9 -8.518 4.103 -2.992 67 HB2 SER 9 2HB SER 9 -7.369 4.457 -5.302 68 HB3 SER 9 3HB SER 9 -8.686 5.531 -4.833 69 HG SER 9 HG SER 9 -7.131 6.897 -5.471 70 H CYS 10 H CYS 10 -6.436 4.008 -1.045 71 HA CYS 10 HA CYS 10 -4.364 2.452 -2.441 72 HB2 CYS 10 2HB CYS 10 -4.328 3.856 0.233 73 HB3 CYS 10 3HB CYS 10 -3.062 2.753 -0.296 74 H THR 11 H THR 11 -7.192 1.945 -0.994 75 HA THR 11 HA THR 11 -8.210 0.112 -0.103 76 HB THR 11 HB THR 11 -5.637 -1.429 -0.352 77 HG1 THR 11 HG1 THR 11 -7.524 -1.114 -2.452 78 HG21 THR 11 3HG2 THR 11 -7.068 -2.968 0.467 79 HG22 THR 11 1HG2 THR 11 -7.668 -3.032 -1.189 80 HG23 THR 11 2HG2 THR 11 -8.492 -2.034 0.009 81 H ASN 12 H ASN 12 -6.065 1.900 1.376 82 HA ASN 12 HA ASN 12 -6.696 1.119 3.968 83 HB2 ASN 12 2HB ASN 12 -4.324 0.325 4.626 84 HB3 ASN 12 3HB ASN 12 -5.402 -0.831 3.850 85 HD21 ASN 12 1HD2 ASN 12 -4.662 -1.883 2.149 86 HD22 ASN 12 2HD2 ASN 12 -3.271 -1.451 1.220 87 H CYS 13 H CYS 13 -6.370 3.470 2.354 88 HA CYS 13 HA CYS 13 -4.926 5.090 4.236 89 HB2 CYS 13 2HB CYS 13 -3.314 4.132 2.328 90 HB3 CYS 13 3HB CYS 13 -3.972 5.509 1.449 91 HN1 NH2 14 2HN NH2 14 -7.280 7.512 3.397 92 HN2 NH2 14 1HN NH2 14 -6.365 6.694 4.616 Start of MODEL 20 1 H1 MET 1 1HN MET 1 1.529 0.391 -1.993 2 H2 MET 1 2HN MET 1 3.222 0.178 -1.781 3 H3 MET 1 3HN MET 1 2.122 -0.630 -0.695 4 HA MET 1 HA MET 1 1.428 1.353 0.333 5 HB2 MET 1 2HB MET 1 3.753 0.378 0.951 6 HB3 MET 1 3HB MET 1 4.453 1.713 0.022 7 HG2 MET 1 2HG MET 1 3.948 3.298 1.730 8 HG3 MET 1 3HG MET 1 2.376 2.546 2.040 9 HE1 MET 1 3HE MET 1 5.742 0.516 2.073 10 HE2 MET 1 1HE MET 1 6.402 1.697 3.260 11 HE3 MET 1 2HE MET 1 5.879 0.073 3.796 12 H CYS 2 H CYS 2 1.232 3.664 0.359 13 HA CYS 2 HA CYS 2 1.961 4.917 -2.208 14 HB2 CYS 2 2HB CYS 2 -0.370 5.746 -0.482 15 HB3 CYS 2 3HB CYS 2 -0.047 6.188 -2.155 16 HA PRO 3 HA PRO 3 4.078 7.171 1.288 17 HB2 PRO 3 2HB PRO 3 6.535 7.174 0.133 18 HB3 PRO 3 3HB PRO 3 5.955 5.852 1.153 19 HG2 PRO 3 2HG PRO 3 6.035 6.045 -1.833 20 HG3 PRO 3 3HG PRO 3 6.456 4.675 -0.789 21 HD2 PRO 3 2HD PRO 3 4.085 4.844 -2.086 22 HD3 PRO 3 3HD PRO 3 4.255 4.053 -0.505 23 HA PRO 4 HA PRO 4 5.061 10.150 -2.466 24 HB2 PRO 4 2HB PRO 4 3.486 9.691 -4.629 25 HB3 PRO 4 3HB PRO 4 5.083 8.960 -4.431 26 HG2 PRO 4 2HG PRO 4 2.382 7.783 -3.901 27 HG3 PRO 4 3HG PRO 4 3.790 7.045 -4.688 28 HD2 PRO 4 2HD PRO 4 3.137 6.549 -2.107 29 HD3 PRO 4 3HD PRO 4 4.817 6.564 -2.681 30 H LEU 5 H LEU 5 1.909 8.868 -1.659 31 HA LEU 5 HA LEU 5 0.890 11.267 -0.693 32 HB2 LEU 5 2HB LEU 5 -0.875 11.596 -2.532 33 HB3 LEU 5 3HB LEU 5 0.746 12.238 -2.788 34 HG LEU 5 HG LEU 5 0.649 9.610 -3.875 35 HD11 LEU 5 1HD1 LEU 5 -1.796 9.946 -3.928 36 HD12 LEU 5 2HD1 LEU 5 -1.084 9.829 -5.536 37 HD13 LEU 5 3HD1 LEU 5 -1.551 11.403 -4.892 38 HD21 LEU 5 3HD2 LEU 5 1.813 11.986 -4.447 39 HD22 LEU 5 1HD2 LEU 5 0.560 11.924 -5.687 40 HD23 LEU 5 2HD2 LEU 5 1.742 10.620 -5.562 41 H CYS 6 H CYS 6 -0.490 10.555 0.778 42 HA CYS 6 HA CYS 6 -1.698 7.960 0.579 43 HB2 CYS 6 2HB CYS 6 -0.901 8.904 2.730 44 HB3 CYS 6 3HB CYS 6 -2.155 10.135 2.632 45 H LYS 7 H LYS 7 -2.800 8.644 -1.503 46 HA LYS 7 HA LYS 7 -5.113 10.339 -1.260 47 HB2 LYS 7 2HB LYS 7 -3.664 8.992 -3.401 48 HB3 LYS 7 3HB LYS 7 -5.407 8.884 -3.605 49 HG2 LYS 7 2HG LYS 7 -4.437 10.823 -4.753 50 HG3 LYS 7 3HG LYS 7 -5.609 11.286 -3.518 51 HD2 LYS 7 2HD LYS 7 -2.903 11.107 -2.471 52 HD3 LYS 7 3HD LYS 7 -3.039 12.271 -3.791 53 HE2 LYS 7 2HE LYS 7 -5.192 13.006 -2.452 54 HE3 LYS 7 3HE LYS 7 -4.323 12.274 -1.104 55 HZ1 LYS 7 3HZ LYS 7 -3.999 14.812 -1.984 56 HZ2 LYS 7 1HZ LYS 7 -2.691 14.016 -2.704 57 HZ3 LYS 7 2HZ LYS 7 -2.893 13.964 -1.025 58 HA PRO 8 HA PRO 8 -8.106 7.378 -0.015 59 HB2 PRO 8 2HB PRO 8 -10.312 8.304 -1.297 60 HB3 PRO 8 3HB PRO 8 -9.600 9.119 0.101 61 HG2 PRO 8 2HG PRO 8 -9.299 9.743 -2.811 62 HG3 PRO 8 3HG PRO 8 -9.545 10.852 -1.449 63 HD2 PRO 8 2HD PRO 8 -7.114 10.430 -2.563 64 HD3 PRO 8 3HD PRO 8 -7.324 10.795 -0.839 65 H SER 9 H SER 9 -6.759 5.867 -1.511 66 HA SER 9 HA SER 9 -8.500 4.194 -2.894 67 HB2 SER 9 2HB SER 9 -7.929 6.403 -4.458 68 HB3 SER 9 3HB SER 9 -6.783 5.196 -5.040 69 HG SER 9 HG SER 9 -8.832 3.801 -4.974 70 H CYS 10 H CYS 10 -6.339 4.078 -1.030 71 HA CYS 10 HA CYS 10 -4.313 2.559 -2.528 72 HB2 CYS 10 2HB CYS 10 -4.210 3.896 0.178 73 HB3 CYS 10 3HB CYS 10 -2.961 2.798 -0.398 74 H THR 11 H THR 11 -7.094 2.010 -0.989 75 HA THR 11 HA THR 11 -8.082 0.151 -0.116 76 HB THR 11 HB THR 11 -5.532 -1.391 -0.538 77 HG1 THR 11 HG1 THR 11 -5.721 -1.060 -2.611 78 HG21 THR 11 3HG2 THR 11 -7.864 -2.768 -1.358 79 HG22 THR 11 1HG2 THR 11 -8.218 -2.027 0.203 80 HG23 THR 11 2HG2 THR 11 -6.833 -3.106 0.032 81 H ASN 12 H ASN 12 -5.867 1.876 1.329 82 HA ASN 12 HA ASN 12 -6.381 0.995 3.916 83 HB2 ASN 12 2HB ASN 12 -4.575 -0.717 2.704 84 HB3 ASN 12 3HB ASN 12 -3.541 0.377 3.619 85 HD21 ASN 12 1HD2 ASN 12 -5.647 -2.274 3.745 86 HD22 ASN 12 2HD2 ASN 12 -5.672 -2.479 5.460 87 H CYS 13 H CYS 13 -6.134 3.409 2.383 88 HA CYS 13 HA CYS 13 -4.604 4.958 4.258 89 HB2 CYS 13 2HB CYS 13 -3.071 4.087 2.261 90 HB3 CYS 13 3HB CYS 13 -3.791 5.465 1.436 91 HN1 NH2 14 2HN NH2 14 -7.258 6.352 1.407 92 HN2 NH2 14 1HN NH2 14 -6.439 4.845 1.179