data_25871 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25871 _Entry.PDB_ID 2N8Z save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25871 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 743 743 ILE N N 743 122.085 122.085 122.210 -0.125 25871 2 1 1 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.184 0.172 25871 3 1 1 . 1 1 743 743 ILE CA C 743 60.624 60.624 61.735 -1.111 25871 4 1 1 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.593 0.430 25871 5 1 1 . 1 1 743 743 ILE H H 743 8.122 8.122 8.357 -0.235 25871 6 1 1 . 1 1 744 744 SER N N 744 123.378 123.378 120.182 3.196 25871 7 1 1 . 1 1 744 744 SER HA H 744 4.472 4.472 4.546 -0.074 25871 8 1 1 . 1 1 744 744 SER CA C 744 57.581 57.581 58.027 -0.446 25871 9 1 1 . 1 1 744 744 SER CB C 744 65.276 65.276 64.733 0.544 25871 10 1 1 . 1 1 744 744 SER H H 744 8.844 8.844 8.198 0.646 25871 11 1 1 . 1 1 745 745 GLN N N 745 121.612 121.612 122.122 -0.510 25871 12 1 1 . 1 1 745 745 GLN HA H 745 3.978 3.978 3.994 -0.016 25871 13 1 1 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.618 -0.731 25871 14 1 1 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.707 -0.181 25871 15 1 1 . 1 1 745 745 GLN H H 745 9.035 9.035 9.529 -0.494 25871 16 1 1 . 1 1 746 746 GLU N N 746 118.618 118.618 118.221 0.397 25871 17 1 1 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.091 -0.057 25871 18 1 1 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.625 1.672 25871 19 1 1 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.779 0.165 25871 20 1 1 . 1 1 746 746 GLU H H 746 8.718 8.718 8.330 0.388 25871 21 1 1 . 1 1 747 747 GLN N N 747 120.436 120.436 119.818 0.618 25871 22 1 1 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.079 -0.255 25871 23 1 1 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.962 -0.458 25871 24 1 1 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.041 -0.086 25871 25 1 1 . 1 1 747 747 GLN H H 747 7.821 7.821 7.998 -0.177 25871 26 1 1 . 1 1 748 748 MET N N 748 119.174 119.174 117.713 1.461 25871 27 1 1 . 1 1 748 748 MET HA H 748 4.228 4.228 4.513 -0.285 25871 28 1 1 . 1 1 748 748 MET CA C 748 58.305 58.305 59.228 -0.923 25871 29 1 1 . 1 1 748 748 MET CB C 748 30.922 30.922 32.224 -1.302 25871 30 1 1 . 1 1 748 748 MET H H 748 8.477 8.477 8.332 0.145 25871 31 1 1 . 1 1 749 749 ASN N N 749 117.610 117.610 119.561 -1.951 25871 32 1 1 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.428 0.077 25871 33 1 1 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.847 -0.885 25871 34 1 1 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.330 -0.425 25871 35 1 1 . 1 1 749 749 ASN H H 749 8.302 8.302 7.989 0.313 25871 36 1 1 . 1 1 750 750 GLU N N 750 122.737 122.737 120.180 2.557 25871 37 1 1 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.080 0.166 25871 38 1 1 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.673 0.852 25871 39 1 1 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.044 0.364 25871 40 1 1 . 1 1 750 750 GLU H H 750 7.789 7.789 7.712 0.077 25871 41 1 1 . 1 1 751 751 PHE N N 751 120.358 120.358 121.866 -1.508 25871 42 1 1 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.526 0.452 25871 43 1 1 . 1 1 751 751 PHE CA C 751 58.643 58.643 61.620 -2.977 25871 44 1 1 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.885 -1.407 25871 45 1 1 . 1 1 751 751 PHE H H 751 8.772 8.772 8.339 0.433 25871 46 1 1 . 1 1 752 752 ARG N N 752 120.173 120.173 119.302 0.871 25871 47 1 1 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.360 -0.213 25871 48 1 1 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.747 -2.946 25871 49 1 1 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.141 0.221 25871 50 1 1 . 1 1 752 752 ARG H H 752 8.990 8.990 8.816 0.174 25871 51 1 1 . 1 1 753 753 ALA N N 753 120.965 120.965 122.206 -1.241 25871 52 1 1 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.229 0.026 25871 53 1 1 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.307 0.118 25871 54 1 1 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.262 -0.250 25871 55 1 1 . 1 1 753 753 ALA H H 753 8.136 8.136 8.330 -0.194 25871 56 1 1 . 1 1 754 754 SER N N 754 115.350 115.350 115.495 -0.145 25871 57 1 1 . 1 1 754 754 SER HA H 754 4.451 4.451 4.351 0.100 25871 58 1 1 . 1 1 754 754 SER CA C 754 63.045 63.045 61.707 1.338 25871 59 1 1 . 1 1 754 754 SER CB C 754 63.111 63.111 63.190 -0.079 25871 60 1 1 . 1 1 754 754 SER H H 754 8.366 8.366 8.442 -0.076 25871 61 1 1 . 1 1 755 755 PHE N N 755 121.902 121.902 123.745 -1.843 25871 62 1 1 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.321 -0.335 25871 63 1 1 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.696 1.657 25871 64 1 1 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.111 1.054 25871 65 1 1 . 1 1 755 755 PHE H H 755 8.498 8.498 8.119 0.379 25871 66 1 1 . 1 1 756 756 ASN N N 756 114.071 114.071 117.936 -3.865 25871 67 1 1 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.762 0.768 25871 68 1 1 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.541 0.263 25871 69 1 1 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.365 -0.432 25871 70 1 1 . 1 1 756 756 ASN H H 756 8.722 8.722 8.304 0.418 25871 71 1 1 . 1 1 757 757 HIS N N 757 119.524 119.524 120.396 -0.872 25871 72 1 1 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.320 -0.198 25871 73 1 1 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.490 -0.020 25871 74 1 1 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.101 -0.054 25871 75 1 1 . 1 1 757 757 HIS H H 757 8.027 8.027 8.057 -0.030 25871 76 1 1 . 1 1 758 758 PHE N N 758 113.439 113.439 115.572 -2.133 25871 77 1 1 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.378 -0.271 25871 78 1 1 . 1 1 758 758 PHE CA C 758 60.068 60.068 60.286 -0.218 25871 79 1 1 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.568 0.420 25871 80 1 1 . 1 1 758 758 PHE H H 758 7.322 7.322 8.154 -0.832 25871 81 1 1 . 1 1 759 759 ASP N N 759 121.632 121.632 119.247 2.385 25871 82 1 1 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.712 -0.096 25871 83 1 1 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.362 0.246 25871 84 1 1 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.502 -0.821 25871 85 1 1 . 1 1 759 759 ASP H H 759 7.439 7.439 8.195 -0.756 25871 86 1 1 . 1 1 760 760 ARG N N 760 123.429 123.429 121.932 1.497 25871 87 1 1 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.844 -0.019 25871 88 1 1 . 1 1 760 760 ARG CA C 760 58.631 58.631 55.827 2.804 25871 89 1 1 . 1 1 760 760 ARG CB C 760 30.073 30.073 29.654 0.419 25871 90 1 1 . 1 1 760 760 ARG H H 760 7.797 7.797 7.625 0.172 25871 91 1 1 . 1 1 761 761 ASP N N 761 115.027 115.027 117.586 -2.559 25871 92 1 1 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.557 -0.076 25871 93 1 1 . 1 1 761 761 ASP CA C 761 52.478 52.478 54.029 -1.551 25871 94 1 1 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.136 -1.635 25871 95 1 1 . 1 1 761 761 ASP H H 761 8.470 8.470 7.679 0.791 25871 96 1 1 . 1 1 762 762 HIS N N 762 117.442 117.442 116.060 1.382 25871 97 1 1 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.378 -0.141 25871 98 1 1 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.652 -0.159 25871 99 1 1 . 1 1 762 762 HIS CB C 762 26.581 26.581 26.930 -0.349 25871 100 1 1 . 1 1 762 762 HIS H H 762 7.716 7.716 7.621 0.095 25871 101 1 1 . 1 1 763 763 SER N N 763 117.624 117.624 115.512 2.112 25871 102 1 1 . 1 1 763 763 SER HA H 763 4.441 4.441 4.294 0.147 25871 103 1 1 . 1 1 763 763 SER CA C 763 59.706 59.706 59.963 -0.257 25871 104 1 1 . 1 1 763 763 SER CB C 763 65.228 65.228 64.171 1.057 25871 105 1 1 . 1 1 763 763 SER H H 763 9.708 9.708 8.341 1.367 25871 106 1 1 . 1 1 764 764 GLY N N 764 117.320 117.320 110.267 7.053 25871 107 1 1 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.788 -0.029 25871 108 1 1 . 1 1 764 764 GLY H H 764 11.185 11.185 9.463 1.722 25871 109 1 1 . 1 1 765 765 THR N N 765 110.392 110.392 110.987 -0.595 25871 110 1 1 . 1 1 765 765 THR HA H 765 5.197 5.197 5.288 -0.091 25871 111 1 1 . 1 1 765 765 THR CA C 765 59.125 59.125 60.563 -1.438 25871 112 1 1 . 1 1 765 765 THR CB C 765 73.022 73.022 72.092 0.930 25871 113 1 1 . 1 1 765 765 THR H H 765 7.972 7.972 7.569 0.403 25871 114 1 1 . 1 1 766 766 LEU N N 766 117.658 117.658 119.851 -2.193 25871 115 1 1 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.742 0.082 25871 116 1 1 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.305 -0.553 25871 117 1 1 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.715 -1.502 25871 118 1 1 . 1 1 766 766 LEU H H 766 8.589 8.589 8.390 0.199 25871 119 1 1 . 1 1 767 767 GLY N N 767 108.644 108.644 107.283 1.361 25871 120 1 1 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.631 0.305 25871 121 1 1 . 1 1 767 767 GLY H H 767 8.601 8.601 8.557 0.044 25871 122 1 1 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.404 -0.123 25871 123 1 1 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.363 1.510 25871 124 1 1 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.143 0.048 25871 125 1 1 . 1 1 769 769 GLU N N 769 115.170 115.170 119.502 -4.332 25871 126 1 1 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.864 0.068 25871 127 1 1 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.554 0.218 25871 128 1 1 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.229 -0.401 25871 129 1 1 . 1 1 769 769 GLU H H 769 8.649 8.649 8.813 -0.164 25871 130 1 1 . 1 1 770 770 GLU N N 770 121.294 121.294 120.895 0.399 25871 131 1 1 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.201 -0.088 25871 132 1 1 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.152 0.466 25871 133 1 1 . 1 1 770 770 GLU CB C 770 30.303 30.303 28.997 1.306 25871 134 1 1 . 1 1 770 770 GLU H H 770 7.846 7.846 8.153 -0.307 25871 135 1 1 . 1 1 771 771 PHE N N 771 119.292 119.292 118.733 0.559 25871 136 1 1 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.097 0.145 25871 137 1 1 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.969 -0.865 25871 138 1 1 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.769 -0.043 25871 139 1 1 . 1 1 771 771 PHE H H 771 8.876 8.876 8.464 0.412 25871 140 1 1 . 1 1 772 772 LYS N N 772 120.139 120.139 120.282 -0.143 25871 141 1 1 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.963 -0.787 25871 142 1 1 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.399 1.086 25871 143 1 1 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.229 -0.545 25871 144 1 1 . 1 1 772 772 LYS H H 772 8.404 8.404 7.578 0.826 25871 145 1 1 . 1 1 773 773 ALA N N 773 118.856 118.856 121.903 -3.047 25871 146 1 1 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.129 -0.337 25871 147 1 1 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.525 0.442 25871 148 1 1 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.305 -0.359 25871 149 1 1 . 1 1 773 773 ALA H H 773 7.180 7.180 8.143 -0.963 25871 150 1 1 . 1 1 774 774 CYS N N 774 121.600 121.600 116.032 5.568 25871 151 1 1 . 1 1 774 774 CYS HA H 774 3.186 3.186 3.024 0.162 25871 152 1 1 . 1 1 774 774 CYS CA C 774 61.579 61.579 60.719 0.860 25871 153 1 1 . 1 1 774 774 CYS CB C 774 26.030 26.030 25.661 0.369 25871 154 1 1 . 1 1 774 774 CYS H H 774 7.731 7.731 7.588 0.143 25871 155 1 1 . 1 1 775 775 LEU N N 775 120.029 120.029 118.737 1.292 25871 156 1 1 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.612 0.227 25871 157 1 1 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.130 1.219 25871 158 1 1 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.141 -0.613 25871 159 1 1 . 1 1 775 775 LEU H H 775 8.353 8.353 6.865 1.488 25871 160 1 1 . 1 1 776 776 ILE N N 776 121.900 121.900 119.313 2.587 25871 161 1 1 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.117 0.112 25871 162 1 1 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.645 0.878 25871 163 1 1 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.491 0.770 25871 164 1 1 . 1 1 776 776 ILE H H 776 8.405 8.405 7.885 0.520 25871 165 1 1 . 1 1 777 777 SER N N 777 119.490 119.490 115.184 4.306 25871 166 1 1 . 1 1 777 777 SER HA H 777 4.435 4.435 4.298 0.137 25871 167 1 1 . 1 1 777 777 SER CA C 777 61.843 61.843 60.967 0.876 25871 168 1 1 . 1 1 777 777 SER CB C 777 62.953 62.953 62.988 -0.035 25871 169 1 1 . 1 1 777 777 SER H H 777 8.144 8.144 7.756 0.388 25871 170 1 1 . 1 1 778 778 LEU N N 778 122.142 122.142 118.704 3.438 25871 171 1 1 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.504 0.138 25871 172 1 1 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.231 -0.154 25871 173 1 1 . 1 1 778 778 LEU CB C 778 42.620 42.620 43.035 -0.415 25871 174 1 1 . 1 1 778 778 LEU H H 778 7.644 7.644 7.765 -0.121 25871 175 1 1 . 1 1 779 779 GLY N N 779 106.613 106.613 106.619 -0.006 25871 176 1 1 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.621 0.529 25871 177 1 1 . 1 1 779 779 GLY H H 779 7.982 7.982 7.611 0.371 25871 178 1 1 . 1 1 780 780 TYR N N 780 121.620 121.620 119.145 2.475 25871 179 1 1 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.583 -0.418 25871 180 1 1 . 1 1 780 780 TYR CA C 780 59.373 59.373 56.435 2.938 25871 181 1 1 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.836 -1.442 25871 182 1 1 . 1 1 780 780 TYR H H 780 8.174 8.174 7.715 0.459 25871 183 1 1 . 1 1 781 781 ASP N N 781 124.225 124.225 126.052 -1.827 25871 184 1 1 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.770 -0.081 25871 185 1 1 . 1 1 781 781 ASP CA C 781 53.565 53.565 54.905 -1.340 25871 186 1 1 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.565 0.550 25871 187 1 1 . 1 1 781 781 ASP H H 781 8.650 8.650 8.959 -0.309 25871 188 1 1 . 1 1 782 782 ILE N N 782 123.492 123.492 121.279 2.213 25871 189 1 1 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.267 -0.018 25871 190 1 1 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.587 -1.097 25871 191 1 1 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.915 0.510 25871 192 1 1 . 1 1 782 782 ILE H H 782 7.300 7.300 7.687 -0.387 25871 193 1 1 . 1 1 783 783 GLY N N 783 113.404 113.404 111.576 1.828 25871 194 1 1 . 1 1 783 783 GLY CA C 783 44.630 44.630 45.096 -0.466 25871 195 1 1 . 1 1 783 783 GLY H H 783 8.345 8.345 7.847 0.498 25871 196 1 1 . 1 1 784 784 ASN N N 784 119.115 119.115 118.465 0.650 25871 197 1 1 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.425 0.503 25871 198 1 1 . 1 1 784 784 ASN CA C 784 52.055 52.055 54.500 -2.445 25871 199 1 1 . 1 1 784 784 ASN CB C 784 37.467 37.467 38.306 -0.839 25871 200 1 1 . 1 1 784 784 ASN H H 784 8.476 8.476 8.573 -0.097 25871 201 1 1 . 1 1 785 785 ASP N N 785 119.675 119.675 119.149 0.526 25871 202 1 1 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.910 -0.090 25871 203 1 1 . 1 1 785 785 ASP CA C 785 52.365 52.365 52.184 0.181 25871 204 1 1 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.925 -2.189 25871 205 1 1 . 1 1 785 785 ASP H H 785 8.081 8.081 7.989 0.092 25871 206 1 1 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.394 -0.088 25871 207 1 1 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.043 1.170 25871 208 1 1 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.355 -0.375 25871 209 1 1 . 1 1 787 787 GLN N N 787 118.154 118.154 118.940 -0.786 25871 210 1 1 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.280 -0.102 25871 211 1 1 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.608 0.825 25871 212 1 1 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.467 0.201 25871 213 1 1 . 1 1 787 787 GLN H H 787 8.413 8.413 8.638 -0.225 25871 214 1 1 . 1 1 788 788 GLY N N 788 113.343 113.343 109.641 3.702 25871 215 1 1 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.631 0.820 25871 216 1 1 . 1 1 788 788 GLY H H 788 8.644 8.644 8.584 0.060 25871 217 1 1 . 1 1 789 789 GLU N N 789 121.232 121.232 121.984 -0.752 25871 218 1 1 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.106 0.055 25871 219 1 1 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.849 -0.416 25871 220 1 1 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.597 0.044 25871 221 1 1 . 1 1 789 789 GLU H H 789 8.539 8.539 8.454 0.085 25871 222 1 1 . 1 1 790 790 ALA N N 790 122.805 122.805 121.193 1.612 25871 223 1 1 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.157 0.116 25871 224 1 1 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.037 -0.089 25871 225 1 1 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.432 -0.531 25871 226 1 1 . 1 1 790 790 ALA H H 790 8.035 8.035 7.610 0.425 25871 227 1 1 . 1 1 791 791 GLU N N 791 122.504 122.504 117.249 5.255 25871 228 1 1 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.156 0.593 25871 229 1 1 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.748 0.719 25871 230 1 1 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.794 -1.215 25871 231 1 1 . 1 1 791 791 GLU H H 791 8.309 8.309 7.780 0.529 25871 232 1 1 . 1 1 792 792 PHE N N 792 119.966 119.966 122.262 -2.296 25871 233 1 1 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.158 0.040 25871 234 1 1 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.835 0.784 25871 235 1 1 . 1 1 792 792 PHE CB C 792 38.465 38.465 38.985 -0.520 25871 236 1 1 . 1 1 792 792 PHE H H 792 8.835 8.835 8.516 0.319 25871 237 1 1 . 1 1 793 793 ALA N N 793 119.978 119.978 121.574 -1.596 25871 238 1 1 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.600 0.306 25871 239 1 1 . 1 1 793 793 ALA CA C 793 55.020 55.020 54.909 0.111 25871 240 1 1 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.065 -0.429 25871 241 1 1 . 1 1 793 793 ALA H H 793 8.147 8.147 8.310 -0.163 25871 242 1 1 . 1 1 794 794 ARG N N 794 121.286 121.286 118.056 3.230 25871 243 1 1 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.042 -0.105 25871 244 1 1 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.039 1.597 25871 245 1 1 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.878 0.379 25871 246 1 1 . 1 1 794 794 ARG H H 794 7.953 7.953 7.467 0.486 25871 247 1 1 . 1 1 795 795 ILE N N 795 121.594 121.594 120.758 0.836 25871 248 1 1 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.460 -0.149 25871 249 1 1 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.946 1.230 25871 250 1 1 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.767 0.567 25871 251 1 1 . 1 1 795 795 ILE H H 795 8.091 8.091 7.449 0.642 25871 252 1 1 . 1 1 796 796 MET N N 796 118.593 118.593 117.335 1.258 25871 253 1 1 . 1 1 796 796 MET HA H 796 4.266 4.266 4.020 0.246 25871 254 1 1 . 1 1 796 796 MET CA C 796 56.204 56.204 59.068 -2.864 25871 255 1 1 . 1 1 796 796 MET CB C 796 29.453 29.453 31.745 -2.292 25871 256 1 1 . 1 1 796 796 MET H H 796 8.543 8.543 8.213 0.330 25871 257 1 1 . 1 1 797 797 SER N N 797 114.792 114.792 114.266 0.526 25871 258 1 1 . 1 1 797 797 SER HA H 797 4.131 4.131 4.262 -0.131 25871 259 1 1 . 1 1 797 797 SER CA C 797 61.233 61.233 61.327 -0.094 25871 260 1 1 . 1 1 797 797 SER CB C 797 63.017 63.017 62.978 0.039 25871 261 1 1 . 1 1 797 797 SER H H 797 7.740 7.740 7.560 0.180 25871 262 1 1 . 1 1 798 798 ILE N N 798 121.041 121.041 119.746 1.295 25871 263 1 1 . 1 1 798 798 ILE HA H 798 3.869 3.869 4.009 -0.140 25871 264 1 1 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.651 0.288 25871 265 1 1 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.956 -0.065 25871 266 1 1 . 1 1 798 798 ILE H H 798 7.352 7.352 7.524 -0.172 25871 267 1 1 . 1 1 799 799 VAL N N 799 110.418 110.418 111.677 -1.259 25871 268 1 1 . 1 1 799 799 VAL HA H 799 4.211 4.211 4.005 0.206 25871 269 1 1 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.620 -0.436 25871 270 1 1 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.560 -0.150 25871 271 1 1 . 1 1 799 799 VAL H H 799 7.806 7.806 7.779 0.027 25871 272 1 1 . 1 1 800 800 ASP N N 800 119.703 119.703 119.738 -0.035 25871 273 1 1 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.052 0.205 25871 274 1 1 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.711 0.024 25871 275 1 1 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.497 -0.163 25871 276 1 1 . 1 1 800 800 ASP H H 800 8.124 8.124 7.583 0.541 25871 277 1 1 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.504 -0.144 25871 278 1 1 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.017 1.018 25871 279 1 1 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.239 -0.341 25871 280 1 1 . 1 1 802 802 ASN N N 802 115.156 115.156 117.761 -2.605 25871 281 1 1 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.678 0.101 25871 282 1 1 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.039 0.189 25871 283 1 1 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.389 -0.175 25871 284 1 1 . 1 1 802 802 ASN H H 802 8.967 8.967 7.854 1.113 25871 285 1 1 . 1 1 803 803 ARG N N 803 117.568 117.568 116.755 0.813 25871 286 1 1 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.103 -0.254 25871 287 1 1 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.644 0.332 25871 288 1 1 . 1 1 803 803 ARG CB C 803 26.440 26.440 27.186 -0.746 25871 289 1 1 . 1 1 803 803 ARG H H 803 8.013 8.013 7.815 0.198 25871 290 1 1 . 1 1 804 804 LEU N N 804 122.899 122.899 119.941 2.958 25871 291 1 1 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.214 -0.002 25871 292 1 1 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.665 0.496 25871 293 1 1 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.444 0.444 25871 294 1 1 . 1 1 804 804 LEU H H 804 10.338 10.338 8.761 1.577 25871 295 1 1 . 1 1 805 805 GLY N N 805 110.909 110.909 107.098 3.811 25871 296 1 1 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.578 -0.297 25871 297 1 1 . 1 1 805 805 GLY H H 805 10.955 10.955 9.038 1.917 25871 298 1 1 . 1 1 806 806 VAL N N 806 111.683 111.683 113.706 -2.023 25871 299 1 1 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.112 -0.529 25871 300 1 1 . 1 1 806 806 VAL CA C 806 59.415 59.415 60.048 -0.633 25871 301 1 1 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.513 0.790 25871 302 1 1 . 1 1 806 806 VAL H H 806 6.806 6.806 7.409 -0.603 25871 303 1 1 . 1 1 807 807 VAL N N 807 123.649 123.649 120.513 3.136 25871 304 1 1 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.404 -0.218 25871 305 1 1 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.331 1.349 25871 306 1 1 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.092 -2.188 25871 307 1 1 . 1 1 807 807 VAL H H 807 9.156 9.156 8.921 0.235 25871 308 1 1 . 1 1 808 808 THR N N 808 116.404 116.404 118.353 -1.949 25871 309 1 1 . 1 1 808 808 THR HA H 808 4.782 4.782 4.837 -0.055 25871 310 1 1 . 1 1 808 808 THR CA C 808 62.526 62.526 60.117 2.409 25871 311 1 1 . 1 1 808 808 THR CB C 808 69.707 69.707 71.344 -1.637 25871 312 1 1 . 1 1 808 808 THR H H 808 7.948 7.948 8.200 -0.252 25871 313 1 1 . 1 1 809 809 PHE N N 809 121.514 121.514 123.352 -1.838 25871 314 1 1 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.449 -0.947 25871 315 1 1 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.502 -0.724 25871 316 1 1 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.853 -0.418 25871 317 1 1 . 1 1 809 809 PHE H H 809 8.528 8.528 8.095 0.433 25871 318 1 1 . 1 1 810 810 GLN N N 810 116.869 116.869 118.779 -1.910 25871 319 1 1 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.654 -0.033 25871 320 1 1 . 1 1 810 810 GLN CA C 810 58.548 58.548 58.076 0.472 25871 321 1 1 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.855 0.542 25871 322 1 1 . 1 1 810 810 GLN H H 810 8.638 8.638 8.253 0.385 25871 323 1 1 . 1 1 811 811 ALA N N 811 121.318 121.318 122.711 -1.393 25871 324 1 1 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.973 0.175 25871 325 1 1 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.631 0.458 25871 326 1 1 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.604 0.636 25871 327 1 1 . 1 1 811 811 ALA H H 811 7.795 7.795 7.273 0.522 25871 328 1 1 . 1 1 812 812 PHE N N 812 119.498 119.498 116.558 2.940 25871 329 1 1 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.920 0.257 25871 330 1 1 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.431 1.066 25871 331 1 1 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.639 0.387 25871 332 1 1 . 1 1 812 812 PHE H H 812 8.093 8.093 7.724 0.369 25871 333 1 1 . 1 1 813 813 ILE N N 813 119.554 119.554 118.677 0.877 25871 334 1 1 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.643 0.502 25871 335 1 1 . 1 1 813 813 ILE CA C 813 62.176 62.176 63.470 -1.294 25871 336 1 1 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.450 0.340 25871 337 1 1 . 1 1 813 813 ILE H H 813 8.316 8.316 6.509 1.807 25871 338 1 1 . 1 1 814 814 ASP N N 814 123.772 123.772 119.931 3.841 25871 339 1 1 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.196 0.044 25871 340 1 1 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.691 0.212 25871 341 1 1 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.604 -0.362 25871 342 1 1 . 1 1 814 814 ASP H H 814 8.434 8.434 7.366 1.068 25871 343 1 1 . 1 1 815 815 PHE N N 815 121.079 121.079 116.573 4.506 25871 344 1 1 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.406 -0.233 25871 345 1 1 . 1 1 815 815 PHE CA C 815 61.125 61.125 59.053 2.072 25871 346 1 1 . 1 1 815 815 PHE CB C 815 39.292 39.292 37.829 1.463 25871 347 1 1 . 1 1 815 815 PHE H H 815 7.904 7.904 6.968 0.936 25871 348 1 1 . 1 1 816 816 MET N N 816 117.231 117.231 120.647 -3.416 25871 349 1 1 . 1 1 816 816 MET HA H 816 3.864 3.864 4.254 -0.390 25871 350 1 1 . 1 1 816 816 MET CA C 816 55.934 55.934 57.293 -1.359 25871 351 1 1 . 1 1 816 816 MET CB C 816 30.451 30.451 31.295 -0.844 25871 352 1 1 . 1 1 816 816 MET H H 816 8.270 8.270 7.287 0.983 25871 353 1 1 . 1 1 817 817 SER N N 817 114.308 114.308 114.736 -0.428 25871 354 1 1 . 1 1 817 817 SER HA H 817 4.209 4.209 4.124 0.085 25871 355 1 1 . 1 1 817 817 SER CA C 817 60.410 60.410 60.470 -0.060 25871 356 1 1 . 1 1 817 817 SER CB C 817 63.328 63.328 62.974 0.354 25871 357 1 1 . 1 1 817 817 SER H H 817 8.100 8.100 8.048 0.052 25871 358 1 1 . 1 1 818 818 ARG N N 818 121.459 121.459 118.804 2.655 25871 359 1 1 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.283 -0.119 25871 360 1 1 . 1 1 818 818 ARG CA C 818 57.468 57.468 58.456 -0.988 25871 361 1 1 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.584 -0.199 25871 362 1 1 . 1 1 818 818 ARG H H 818 7.329 7.329 7.535 -0.206 25871 363 1 1 . 1 1 819 819 GLU N N 819 119.944 119.944 118.917 1.027 25871 364 1 1 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.335 -0.171 25871 365 1 1 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.147 -0.679 25871 366 1 1 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.471 1.055 25871 367 1 1 . 1 1 819 819 GLU H H 819 8.059 8.059 7.790 0.269 25871 368 1 1 . 1 1 820 820 THR N N 820 112.658 112.658 114.487 -1.829 25871 369 1 1 . 1 1 820 820 THR HA H 820 4.309 4.309 4.335 -0.026 25871 370 1 1 . 1 1 820 820 THR CA C 820 62.191 62.191 61.893 0.298 25871 371 1 1 . 1 1 820 820 THR CB C 820 69.877 69.877 68.425 1.452 25871 372 1 1 . 1 1 820 820 THR H H 820 7.789 7.789 8.119 -0.330 25871 373 1 1 . 1 1 821 821 ALA N N 821 126.145 126.145 123.738 2.407 25871 374 1 1 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.080 0.252 25871 375 1 1 . 1 1 821 821 ALA CA C 821 52.816 52.816 54.604 -1.788 25871 376 1 1 . 1 1 821 821 ALA CB C 821 19.459 19.459 18.865 0.594 25871 377 1 1 . 1 1 821 821 ALA H H 821 8.003 8.003 7.428 0.575 25871 378 1 1 . 1 1 822 822 ASP N N 822 120.003 120.003 114.597 5.406 25871 379 1 1 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.831 -0.189 25871 380 1 1 . 1 1 822 822 ASP CA C 822 54.439 54.439 53.995 0.444 25871 381 1 1 . 1 1 822 822 ASP CB C 822 40.866 40.866 41.058 -0.192 25871 382 1 1 . 1 1 822 822 ASP H H 822 8.330 8.330 8.206 0.124 25871 383 1 1 . 1 1 823 823 THR N N 823 114.181 114.181 114.874 -0.693 25871 384 1 1 . 1 1 823 823 THR HA H 823 4.304 4.304 4.628 -0.324 25871 385 1 1 . 1 1 823 823 THR CA C 823 62.284 62.284 60.628 1.656 25871 386 1 1 . 1 1 823 823 THR CB C 823 69.738 69.738 70.245 -0.507 25871 387 1 1 . 1 1 823 823 THR H H 823 8.093 8.093 7.659 0.434 25871 388 1 1 . 1 1 824 824 ASP N N 824 123.285 123.285 120.150 3.135 25871 389 1 1 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.798 -0.147 25871 390 1 1 . 1 1 824 824 ASP CA C 824 54.595 54.595 53.318 1.277 25871 391 1 1 . 1 1 824 824 ASP CB C 824 41.145 41.145 43.631 -2.486 25871 392 1 1 . 1 1 824 824 ASP H H 824 8.426 8.426 8.383 0.043 25871 393 1 1 . 1 1 825 825 THR N N 825 114.970 114.970 109.174 5.796 25871 394 1 1 . 1 1 825 825 THR HA H 825 4.313 4.313 4.625 -0.312 25871 395 1 1 . 1 1 825 825 THR CA C 825 62.329 62.329 60.388 1.941 25871 396 1 1 . 1 1 825 825 THR CB C 825 69.541 69.541 71.573 -2.032 25871 397 1 1 . 1 1 825 825 THR H H 825 8.157 8.157 7.947 0.210 25871 398 1 1 . 1 1 826 826 ALA N N 826 124.991 124.991 124.765 0.226 25871 399 1 1 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.115 0.086 25871 400 1 1 . 1 1 826 826 ALA CA C 826 54.473 54.473 55.372 -0.899 25871 401 1 1 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.970 -0.274 25871 402 1 1 . 1 1 826 826 ALA H H 826 8.374 8.374 8.541 -0.167 25871 403 1 1 . 1 1 827 827 ASP N N 827 117.795 117.795 118.310 -0.515 25871 404 1 1 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.306 0.156 25871 405 1 1 . 1 1 827 827 ASP CA C 827 56.151 56.151 56.930 -0.779 25871 406 1 1 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.755 0.174 25871 407 1 1 . 1 1 827 827 ASP H H 827 8.255 8.255 8.347 -0.092 25871 408 1 1 . 1 1 828 828 GLN N N 828 120.646 120.646 118.497 2.149 25871 409 1 1 . 1 1 828 828 GLN HA H 828 4.121 4.121 4.068 0.053 25871 410 1 1 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.540 -0.590 25871 411 1 1 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.120 0.466 25871 412 1 1 . 1 1 828 828 GLN H H 828 8.086 8.086 7.725 0.361 25871 413 1 1 . 1 1 829 829 VAL N N 829 120.933 120.933 121.263 -0.330 25871 414 1 1 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.467 0.084 25871 415 1 1 . 1 1 829 829 VAL CA C 829 65.321 65.321 66.026 -0.705 25871 416 1 1 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.887 -0.137 25871 417 1 1 . 1 1 829 829 VAL H H 829 8.048 8.048 7.676 0.372 25871 418 1 1 . 1 1 830 830 MET N N 830 119.386 119.386 120.230 -0.844 25871 419 1 1 . 1 1 830 830 MET HA H 830 4.030 4.030 4.364 -0.334 25871 420 1 1 . 1 1 830 830 MET CA C 830 58.013 58.013 58.675 -0.662 25871 421 1 1 . 1 1 830 830 MET CB C 830 32.110 32.110 32.572 -0.462 25871 422 1 1 . 1 1 830 830 MET H H 830 8.088 8.088 7.891 0.197 25871 423 1 1 . 1 1 831 831 ALA N N 831 121.027 121.027 121.068 -0.041 25871 424 1 1 . 1 1 831 831 ALA HA H 831 4.075 4.075 4.037 0.038 25871 425 1 1 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.142 -0.524 25871 426 1 1 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.074 0.052 25871 427 1 1 . 1 1 831 831 ALA H H 831 7.829 7.829 8.181 -0.352 25871 428 1 1 . 1 1 832 832 SER N N 832 114.314 114.314 114.921 -0.607 25871 429 1 1 . 1 1 832 832 SER HA H 832 4.181 4.181 4.134 0.047 25871 430 1 1 . 1 1 832 832 SER CA C 832 61.039 61.039 61.821 -0.782 25871 431 1 1 . 1 1 832 832 SER CB C 832 62.671 62.671 62.950 -0.279 25871 432 1 1 . 1 1 832 832 SER H H 832 7.711 7.711 7.645 0.066 25871 433 1 1 . 1 1 833 833 PHE N N 833 121.898 121.898 120.894 1.004 25871 434 1 1 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.116 0.114 25871 435 1 1 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.349 -0.915 25871 436 1 1 . 1 1 833 833 PHE CB C 833 38.249 38.249 37.923 0.326 25871 437 1 1 . 1 1 833 833 PHE H H 833 7.717 7.717 7.374 0.343 25871 438 1 1 . 1 1 834 834 LYS N N 834 118.752 118.752 119.313 -0.561 25871 439 1 1 . 1 1 834 834 LYS HA H 834 3.622 3.622 4.048 -0.426 25871 440 1 1 . 1 1 834 834 LYS CA C 834 59.425 59.425 58.855 0.570 25871 441 1 1 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.226 -0.042 25871 442 1 1 . 1 1 834 834 LYS H H 834 7.844 7.844 7.551 0.293 25871 443 1 1 . 1 1 835 835 ILE N N 835 118.528 118.528 117.235 1.293 25871 444 1 1 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.821 -0.051 25871 445 1 1 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.147 -0.428 25871 446 1 1 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.457 -0.551 25871 447 1 1 . 1 1 835 835 ILE H H 835 7.311 7.311 7.439 -0.128 25871 448 1 1 . 1 1 836 836 LEU N N 836 121.176 121.176 117.214 3.962 25871 449 1 1 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.424 -0.434 25871 450 1 1 . 1 1 836 836 LEU CA C 836 57.166 57.166 57.048 0.118 25871 451 1 1 . 1 1 836 836 LEU CB C 836 42.496 42.496 42.241 0.255 25871 452 1 1 . 1 1 836 836 LEU H H 836 7.617 7.617 7.340 0.277 25871 453 1 1 . 1 1 837 837 ALA N N 837 119.189 119.189 120.540 -1.351 25871 454 1 1 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.498 -0.574 25871 455 1 1 . 1 1 837 837 ALA CA C 837 53.417 53.417 51.508 1.909 25871 456 1 1 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.367 1.025 25871 457 1 1 . 1 1 837 837 ALA H H 837 8.092 8.092 8.511 -0.419 25871 458 1 1 . 1 1 838 838 GLY N N 838 106.965 106.965 108.638 -1.673 25871 459 1 1 . 1 1 838 838 GLY CA C 838 47.029 47.029 47.072 -0.043 25871 460 1 1 . 1 1 838 838 GLY H H 838 7.667 7.667 8.327 -0.660 25871 461 1 1 . 1 1 839 839 ASP N N 839 122.392 122.392 119.610 2.782 25871 462 1 1 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.679 -0.162 25871 463 1 1 . 1 1 839 839 ASP CA C 839 54.581 54.581 54.853 -0.272 25871 464 1 1 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.297 -0.713 25871 465 1 1 . 1 1 839 839 ASP H H 839 8.703 8.703 8.407 0.296 25871 466 1 1 . 1 1 840 840 LYS N N 840 117.603 117.603 117.399 0.204 25871 467 1 1 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.720 -0.388 25871 468 1 1 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.694 1.273 25871 469 1 1 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.046 -1.295 25871 470 1 1 . 1 1 840 840 LYS H H 840 7.592 7.592 7.833 -0.241 25871 471 1 1 . 1 1 841 841 ASN N N 841 116.654 116.654 117.400 -0.746 25871 472 1 1 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.910 -0.268 25871 473 1 1 . 1 1 841 841 ASN CA C 841 53.696 53.696 52.937 0.759 25871 474 1 1 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.334 -0.078 25871 475 1 1 . 1 1 841 841 ASN H H 841 8.689 8.689 8.924 -0.235 25871 476 1 1 . 1 1 842 842 TYR N N 842 112.231 112.231 113.941 -1.710 25871 477 1 1 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.896 0.117 25871 478 1 1 . 1 1 842 842 TYR CA C 842 55.133 55.133 56.886 -1.753 25871 479 1 1 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.482 1.146 25871 480 1 1 . 1 1 842 842 TYR H H 842 6.638 6.638 7.263 -0.625 25871 481 1 1 . 1 1 843 843 ILE N N 843 115.455 115.455 119.236 -3.781 25871 482 1 1 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.333 0.467 25871 483 1 1 . 1 1 843 843 ILE CA C 843 59.462 59.462 58.395 1.067 25871 484 1 1 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.769 0.700 25871 485 1 1 . 1 1 843 843 ILE H H 843 8.626 8.626 9.092 -0.466 25871 486 1 1 . 1 1 844 844 THR N N 844 117.140 117.140 116.725 0.415 25871 487 1 1 . 1 1 844 844 THR HA H 844 5.393 5.393 5.277 0.116 25871 488 1 1 . 1 1 844 844 THR CA C 844 60.380 60.380 59.512 0.868 25871 489 1 1 . 1 1 844 844 THR CB C 844 71.475 71.475 71.310 0.165 25871 490 1 1 . 1 1 844 844 THR H H 844 9.329 9.329 8.403 0.926 25871 491 1 1 . 1 1 845 845 MET N N 845 119.879 119.879 119.857 0.022 25871 492 1 1 . 1 1 845 845 MET HA H 845 3.852 3.852 4.032 -0.180 25871 493 1 1 . 1 1 845 845 MET CA C 845 60.389 60.389 60.370 0.019 25871 494 1 1 . 1 1 845 845 MET CB C 845 33.110 33.110 32.250 0.860 25871 495 1 1 . 1 1 845 845 MET H H 845 8.555 8.555 8.612 -0.057 25871 496 1 1 . 1 1 846 846 ASP N N 846 116.360 116.360 119.162 -2.802 25871 497 1 1 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.350 -0.040 25871 498 1 1 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.395 0.094 25871 499 1 1 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.803 -0.131 25871 500 1 1 . 1 1 846 846 ASP H H 846 8.375 8.375 8.402 -0.027 25871 501 1 1 . 1 1 847 847 GLU N N 847 120.575 120.575 119.330 1.245 25871 502 1 1 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.044 -0.158 25871 503 1 1 . 1 1 847 847 GLU CA C 847 59.754 59.754 58.938 0.816 25871 504 1 1 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.830 -0.073 25871 505 1 1 . 1 1 847 847 GLU H H 847 7.852 7.852 7.702 0.150 25871 506 1 1 . 1 1 848 848 LEU N N 848 118.753 118.753 118.376 0.377 25871 507 1 1 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.239 -0.379 25871 508 1 1 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.053 0.630 25871 509 1 1 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.492 1.032 25871 510 1 1 . 1 1 848 848 LEU H H 848 7.834 7.834 8.262 -0.428 25871 511 1 1 . 1 1 849 849 ARG N N 849 113.976 113.976 118.685 -4.709 25871 512 1 1 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.109 -0.149 25871 513 1 1 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.511 0.085 25871 514 1 1 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.091 0.054 25871 515 1 1 . 1 1 849 849 ARG H H 849 8.055 8.055 7.777 0.278 25871 516 1 1 . 1 1 850 850 ARG N N 850 118.184 118.184 118.422 -0.238 25871 517 1 1 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.201 0.030 25871 518 1 1 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.604 -0.225 25871 519 1 1 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.738 1.375 25871 520 1 1 . 1 1 850 850 ARG H H 850 7.739 7.739 7.801 -0.062 25871 521 1 1 . 1 1 851 851 GLU N N 851 115.550 115.550 118.444 -2.894 25871 522 1 1 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.269 0.111 25871 523 1 1 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.238 -1.244 25871 524 1 1 . 1 1 851 851 GLU CB C 851 31.685 31.685 31.056 0.629 25871 525 1 1 . 1 1 851 851 GLU H H 851 7.591 7.591 7.704 -0.113 25871 526 1 1 . 1 1 852 852 LEU N N 852 119.170 119.170 117.748 1.422 25871 527 1 1 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.922 0.004 25871 528 1 1 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.410 -0.119 25871 529 1 1 . 1 1 852 852 LEU CB C 852 42.638 42.638 42.545 0.093 25871 530 1 1 . 1 1 852 852 LEU H H 852 7.891 7.891 7.556 0.335 25871 531 1 1 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.604 -0.299 25871 532 1 1 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.692 3.710 25871 533 1 1 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.362 -0.038 25871 534 1 1 . 1 1 855 855 ASP N N 855 114.853 114.853 118.769 -3.916 25871 535 1 1 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.375 0.004 25871 536 1 1 . 1 1 855 855 ASP CA C 855 57.058 57.058 56.407 0.651 25871 537 1 1 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.253 -1.014 25871 538 1 1 . 1 1 855 855 ASP H H 855 8.796 8.796 8.688 0.108 25871 539 1 1 . 1 1 856 856 GLN N N 856 121.513 121.513 118.678 2.835 25871 540 1 1 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.821 0.419 25871 541 1 1 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.966 -0.582 25871 542 1 1 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.657 1.686 25871 543 1 1 . 1 1 856 856 GLN H H 856 7.471 7.471 8.233 -0.762 25871 544 1 1 . 1 1 857 857 ALA N N 857 122.821 122.821 122.112 0.709 25871 545 1 1 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.029 -0.199 25871 546 1 1 . 1 1 857 857 ALA CA C 857 56.405 56.405 56.190 0.215 25871 547 1 1 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.206 -0.222 25871 548 1 1 . 1 1 857 857 ALA H H 857 8.889 8.889 8.145 0.744 25871 549 1 1 . 1 1 858 858 GLU N N 858 114.091 114.091 118.962 -4.871 25871 550 1 1 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.111 -0.055 25871 551 1 1 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.443 -0.662 25871 552 1 1 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.374 -0.707 25871 553 1 1 . 1 1 858 858 GLU H H 858 8.143 8.143 7.796 0.347 25871 554 1 1 . 1 1 859 859 TYR N N 859 120.670 120.670 119.100 1.570 25871 555 1 1 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.301 -0.174 25871 556 1 1 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.151 -0.003 25871 557 1 1 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.602 1.136 25871 558 1 1 . 1 1 859 859 TYR H H 859 7.708 7.708 9.022 -1.314 25871 559 1 1 . 1 1 860 860 CYS N N 860 115.848 115.848 119.831 -3.983 25871 560 1 1 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.090 0.098 25871 561 1 1 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.132 0.306 25871 562 1 1 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.468 -0.003 25871 563 1 1 . 1 1 860 860 CYS H H 860 8.119 8.119 7.898 0.221 25871 564 1 1 . 1 1 861 861 ILE N N 861 120.124 120.124 121.061 -0.937 25871 565 1 1 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.570 -0.206 25871 566 1 1 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.750 -0.018 25871 567 1 1 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.715 1.007 25871 568 1 1 . 1 1 861 861 ILE H H 861 8.451 8.451 8.457 -0.006 25871 569 1 1 . 1 1 862 862 ALA N N 862 116.691 116.691 119.744 -3.053 25871 570 1 1 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.140 0.110 25871 571 1 1 . 1 1 862 862 ALA CA C 862 53.428 53.428 53.922 -0.494 25871 572 1 1 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.451 0.624 25871 573 1 1 . 1 1 862 862 ALA H H 862 7.304 7.304 8.052 -0.748 25871 574 1 1 . 1 1 863 863 ARG N N 863 117.259 117.259 114.592 2.667 25871 575 1 1 . 1 1 863 863 ARG HA H 863 4.292 4.292 3.987 0.305 25871 576 1 1 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.786 0.652 25871 577 1 1 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.935 -0.477 25871 578 1 1 . 1 1 863 863 ARG H H 863 7.357 7.357 7.622 -0.265 25871 579 1 1 . 1 1 864 864 MET N N 864 117.570 117.570 120.211 -2.641 25871 580 1 1 . 1 1 864 864 MET HA H 864 4.598 4.598 4.063 0.535 25871 581 1 1 . 1 1 864 864 MET CA C 864 55.180 55.180 56.681 -1.500 25871 582 1 1 . 1 1 864 864 MET CB C 864 37.428 37.428 33.686 3.742 25871 583 1 1 . 1 1 864 864 MET H H 864 7.147 7.147 7.787 -0.640 25871 584 1 1 . 1 1 865 865 ALA N N 865 124.616 124.616 128.126 -3.510 25871 585 1 1 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.770 -0.837 25871 586 1 1 . 1 1 865 865 ALA CA C 865 49.280 49.280 50.093 -0.813 25871 587 1 1 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.427 0.222 25871 588 1 1 . 1 1 865 865 ALA H H 865 8.548 8.548 8.617 -0.069 25871 589 1 1 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.503 0.016 25871 590 1 1 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.465 0.356 25871 591 1 1 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.474 -0.483 25871 592 1 1 . 1 1 867 867 TYR N N 867 122.454 122.454 123.530 -1.076 25871 593 1 1 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.619 -0.464 25871 594 1 1 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.726 -0.775 25871 595 1 1 . 1 1 867 867 TYR CB C 867 43.347 43.347 41.102 2.245 25871 596 1 1 . 1 1 867 867 TYR H H 867 8.127 8.127 8.352 -0.225 25871 597 1 1 . 1 1 869 869 GLY N N 869 105.881 105.881 109.811 -3.930 25871 598 1 1 . 1 1 869 869 GLY CA C 869 45.090 45.090 43.150 1.940 25871 599 1 1 . 1 1 869 869 GLY H H 869 5.440 5.440 6.551 -1.111 25871 600 1 1 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.378 -0.017 25871 601 1 1 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.528 0.313 25871 602 1 1 . 1 1 870 870 PRO CB C 870 31.630 31.630 32.098 -0.468 25871 603 1 1 . 1 1 871 871 ASP N N 871 116.217 116.217 119.449 -3.232 25871 604 1 1 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.906 -0.270 25871 605 1 1 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.993 -1.043 25871 606 1 1 . 1 1 871 871 ASP CB C 871 39.150 39.150 41.461 -2.311 25871 607 1 1 . 1 1 871 871 ASP H H 871 9.263 9.263 8.078 1.185 25871 608 1 1 . 1 1 872 872 SER N N 872 112.352 112.352 116.417 -4.065 25871 609 1 1 . 1 1 872 872 SER HA H 872 3.530 3.530 4.374 -0.844 25871 610 1 1 . 1 1 872 872 SER CA C 872 59.184 59.184 59.354 -0.170 25871 611 1 1 . 1 1 872 872 SER CB C 872 63.286 63.286 64.037 -0.751 25871 612 1 1 . 1 1 872 872 SER H H 872 7.487 7.487 7.664 -0.177 25871 613 1 1 . 1 1 873 873 VAL N N 873 113.588 113.588 116.174 -2.586 25871 614 1 1 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.665 0.088 25871 615 1 1 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.371 -0.303 25871 616 1 1 . 1 1 873 873 VAL CB C 873 32.917 32.917 32.602 0.315 25871 617 1 1 . 1 1 873 873 VAL H H 873 6.411 6.411 7.790 -1.379 25871 618 1 1 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.357 -0.027 25871 619 1 1 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.893 -0.583 25871 620 1 1 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.845 -0.222 25871 621 1 1 . 1 1 875 875 GLY N N 875 112.109 112.109 105.101 7.008 25871 622 1 1 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.115 1.377 25871 623 1 1 . 1 1 875 875 GLY H H 875 8.798 8.798 8.251 0.547 25871 624 1 1 . 1 1 876 876 ALA N N 876 120.267 120.267 124.481 -4.214 25871 625 1 1 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.104 -0.967 25871 626 1 1 . 1 1 876 876 ALA CA C 876 53.263 53.263 51.330 1.933 25871 627 1 1 . 1 1 876 876 ALA CB C 876 20.554 20.554 20.482 0.073 25871 628 1 1 . 1 1 876 876 ALA H H 876 7.762 7.762 7.878 -0.116 25871 629 1 1 . 1 1 877 877 LEU N N 877 125.696 125.696 123.644 2.052 25871 630 1 1 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.038 -0.234 25871 631 1 1 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.909 0.383 25871 632 1 1 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.619 -1.778 25871 633 1 1 . 1 1 877 877 LEU H H 877 9.598 9.598 9.384 0.214 25871 634 1 1 . 1 1 878 878 ASP N N 878 119.836 119.836 123.150 -3.314 25871 635 1 1 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.032 -0.113 25871 636 1 1 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.842 -0.712 25871 637 1 1 . 1 1 878 878 ASP CB C 878 40.798 40.798 41.724 -0.926 25871 638 1 1 . 1 1 878 878 ASP H H 878 9.028 9.028 8.684 0.344 25871 639 1 1 . 1 1 879 879 TYR N N 879 126.600 126.600 125.242 1.358 25871 640 1 1 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.243 0.375 25871 641 1 1 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.694 -0.138 25871 642 1 1 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.135 -0.611 25871 643 1 1 . 1 1 879 879 TYR H H 879 7.454 7.454 8.025 -0.571 25871 644 1 1 . 1 1 880 880 MET N N 880 119.910 119.910 118.048 1.862 25871 645 1 1 . 1 1 880 880 MET HA H 880 4.619 4.619 3.724 0.895 25871 646 1 1 . 1 1 880 880 MET CA C 880 56.205 56.205 56.687 -0.482 25871 647 1 1 . 1 1 880 880 MET CB C 880 32.338 32.338 31.148 1.190 25871 648 1 1 . 1 1 880 880 MET H H 880 7.620 7.620 7.366 0.254 25871 649 1 1 . 1 1 881 881 SER N N 881 114.353 114.353 113.687 0.666 25871 650 1 1 . 1 1 881 881 SER HA H 881 4.501 4.501 4.326 0.175 25871 651 1 1 . 1 1 881 881 SER CA C 881 58.957 58.957 60.191 -1.234 25871 652 1 1 . 1 1 881 881 SER CB C 881 64.284 64.284 63.338 0.946 25871 653 1 1 . 1 1 881 881 SER H H 881 7.721 7.721 7.844 -0.123 25871 654 1 1 . 1 1 882 882 PHE N N 882 122.746 122.746 124.396 -1.650 25871 655 1 1 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.713 0.036 25871 656 1 1 . 1 1 882 882 PHE CA C 882 59.451 59.451 59.995 -0.543 25871 657 1 1 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.642 1.654 25871 658 1 1 . 1 1 882 882 PHE H H 882 7.386 7.386 7.895 -0.509 25871 659 1 1 . 1 1 883 883 SER N N 883 120.214 120.214 114.343 5.871 25871 660 1 1 . 1 1 883 883 SER HA H 883 4.338 4.338 3.945 0.393 25871 661 1 1 . 1 1 883 883 SER CA C 883 57.455 57.455 60.781 -3.326 25871 662 1 1 . 1 1 883 883 SER CB C 883 64.684 64.684 63.011 1.673 25871 663 1 1 . 1 1 883 883 SER H H 883 7.464 7.464 8.110 -0.646 25871 664 1 1 . 1 1 884 884 THR N N 884 110.671 110.671 112.684 -2.013 25871 665 1 1 . 1 1 884 884 THR HA H 884 4.008 4.008 4.393 -0.385 25871 666 1 1 . 1 1 884 884 THR CA C 884 63.367 63.367 61.792 1.575 25871 667 1 1 . 1 1 884 884 THR CB C 884 69.088 69.088 70.402 -1.314 25871 668 1 1 . 1 1 884 884 THR H H 884 7.993 7.993 7.851 0.142 25871 669 1 1 . 1 1 885 885 ALA N N 885 125.453 125.453 123.769 1.684 25871 670 1 1 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.783 -0.513 25871 671 1 1 . 1 1 885 885 ALA CA C 885 52.160 52.160 51.943 0.217 25871 672 1 1 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.292 -1.982 25871 673 1 1 . 1 1 885 885 ALA H H 885 7.905 7.905 7.704 0.201 25871 674 1 1 . 1 1 886 886 LEU N N 886 120.791 120.791 120.363 0.428 25871 675 1 1 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.659 -1.612 25871 676 1 1 . 1 1 886 886 LEU CA C 886 55.496 55.496 53.845 1.651 25871 677 1 1 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.661 -3.322 25871 678 1 1 . 1 1 886 886 LEU H H 886 8.087 8.087 8.253 -0.166 25871 679 1 1 . 1 1 887 887 TYR N N 887 121.620 121.620 116.034 5.586 25871 680 1 1 . 1 1 887 887 TYR HA H 887 4.403 4.403 5.084 -0.681 25871 681 1 1 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.251 1.543 25871 682 1 1 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.678 -1.057 25871 683 1 1 . 1 1 887 887 TYR H H 887 8.272 8.272 7.842 0.430 25871 684 1 1 . 1 1 888 888 GLY N N 888 112.443 112.443 110.194 2.249 25871 685 1 1 . 1 1 888 888 GLY CA C 888 45.195 45.195 46.039 -0.844 25871 686 1 1 . 1 1 888 888 GLY H H 888 8.087 8.087 8.311 -0.224 25871 687 1 1 . 1 1 889 889 GLU N N 889 120.272 120.272 119.802 0.470 25871 688 1 1 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.655 -0.360 25871 689 1 1 . 1 1 889 889 GLU CA C 889 56.593 56.593 55.440 1.153 25871 690 1 1 . 1 1 889 889 GLU CB C 889 30.601 30.601 29.245 1.355 25871 691 1 1 . 1 1 889 889 GLU H H 889 7.991 7.991 8.332 -0.341 25871 692 1 1 . 1 1 890 890 SER N N 890 116.330 116.330 115.286 1.044 25871 693 1 1 . 1 1 890 890 SER HA H 890 4.452 4.452 4.349 0.103 25871 694 1 1 . 1 1 890 890 SER CA C 890 58.334 58.334 60.736 -2.402 25871 695 1 1 . 1 1 890 890 SER CB C 890 64.174 64.174 63.590 0.584 25871 696 1 1 . 1 1 890 890 SER H H 890 8.325 8.325 8.220 0.105 25871 697 1 1 . 1 1 891 891 ASP N N 891 122.987 122.987 118.680 4.307 25871 698 1 1 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.696 -0.044 25871 699 1 1 . 1 1 891 891 ASP CA C 891 54.534 54.534 53.421 1.113 25871 700 1 1 . 1 1 891 891 ASP CB C 891 40.981 40.981 40.122 0.859 25871 701 1 1 . 1 1 891 891 ASP H H 891 8.387 8.387 8.113 0.274 25871 702 1 2 . 1 1 743 743 ILE N N 743 122.085 122.085 123.578 -1.493 25871 703 1 2 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.123 0.233 25871 704 1 2 . 1 1 743 743 ILE CA C 743 60.624 60.624 62.090 -1.466 25871 705 1 2 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.154 0.869 25871 706 1 2 . 1 1 743 743 ILE H H 743 8.122 8.122 7.917 0.205 25871 707 1 2 . 1 1 744 744 SER N N 744 123.378 123.378 123.079 0.299 25871 708 1 2 . 1 1 744 744 SER HA H 744 4.472 4.472 4.676 -0.204 25871 709 1 2 . 1 1 744 744 SER CA C 744 57.581 57.581 57.245 0.336 25871 710 1 2 . 1 1 744 744 SER CB C 744 65.276 65.276 65.028 0.248 25871 711 1 2 . 1 1 744 744 SER H H 744 8.844 8.844 8.339 0.505 25871 712 1 2 . 1 1 745 745 GLN N N 745 121.612 121.612 121.336 0.276 25871 713 1 2 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.072 -0.094 25871 714 1 2 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.497 -0.610 25871 715 1 2 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.588 -0.062 25871 716 1 2 . 1 1 745 745 GLN H H 745 9.035 9.035 8.939 0.096 25871 717 1 2 . 1 1 746 746 GLU N N 746 118.618 118.618 116.361 2.257 25871 718 1 2 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.140 -0.106 25871 719 1 2 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.858 1.439 25871 720 1 2 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.759 0.185 25871 721 1 2 . 1 1 746 746 GLU H H 746 8.718 8.718 8.831 -0.113 25871 722 1 2 . 1 1 747 747 GLN N N 747 120.436 120.436 119.916 0.520 25871 723 1 2 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.328 -0.504 25871 724 1 2 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.737 -0.233 25871 725 1 2 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.260 -0.305 25871 726 1 2 . 1 1 747 747 GLN H H 747 7.821 7.821 7.485 0.336 25871 727 1 2 . 1 1 748 748 MET N N 748 119.174 119.174 117.624 1.550 25871 728 1 2 . 1 1 748 748 MET HA H 748 4.228 4.228 4.521 -0.293 25871 729 1 2 . 1 1 748 748 MET CA C 748 58.305 58.305 59.266 -0.961 25871 730 1 2 . 1 1 748 748 MET CB C 748 30.922 30.922 32.221 -1.299 25871 731 1 2 . 1 1 748 748 MET H H 748 8.477 8.477 8.163 0.314 25871 732 1 2 . 1 1 749 749 ASN N N 749 117.610 117.610 119.497 -1.887 25871 733 1 2 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.455 0.050 25871 734 1 2 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.805 -0.843 25871 735 1 2 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.426 -0.521 25871 736 1 2 . 1 1 749 749 ASN H H 749 8.302 8.302 7.976 0.326 25871 737 1 2 . 1 1 750 750 GLU N N 750 122.737 122.737 120.289 2.448 25871 738 1 2 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.088 0.158 25871 739 1 2 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.700 0.825 25871 740 1 2 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.048 0.361 25871 741 1 2 . 1 1 750 750 GLU H H 750 7.789 7.789 7.887 -0.098 25871 742 1 2 . 1 1 751 751 PHE N N 751 120.358 120.358 121.659 -1.301 25871 743 1 2 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.317 0.661 25871 744 1 2 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.385 -3.742 25871 745 1 2 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.851 -1.373 25871 746 1 2 . 1 1 751 751 PHE H H 751 8.772 8.772 8.500 0.272 25871 747 1 2 . 1 1 752 752 ARG N N 752 120.173 120.173 119.479 0.694 25871 748 1 2 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.329 -0.182 25871 749 1 2 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.939 -3.138 25871 750 1 2 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.143 0.219 25871 751 1 2 . 1 1 752 752 ARG H H 752 8.990 8.990 8.649 0.341 25871 752 1 2 . 1 1 753 753 ALA N N 753 120.965 120.965 121.971 -1.006 25871 753 1 2 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.198 0.057 25871 754 1 2 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.228 0.197 25871 755 1 2 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.203 -0.192 25871 756 1 2 . 1 1 753 753 ALA H H 753 8.136 8.136 8.525 -0.389 25871 757 1 2 . 1 1 754 754 SER N N 754 115.350 115.350 115.881 -0.531 25871 758 1 2 . 1 1 754 754 SER HA H 754 4.451 4.451 4.292 0.159 25871 759 1 2 . 1 1 754 754 SER CA C 754 63.045 63.045 62.815 0.230 25871 760 1 2 . 1 1 754 754 SER CB C 754 63.111 63.111 63.246 -0.135 25871 761 1 2 . 1 1 754 754 SER H H 754 8.366 8.366 8.457 -0.091 25871 762 1 2 . 1 1 755 755 PHE N N 755 121.902 121.902 122.823 -0.921 25871 763 1 2 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.352 -0.366 25871 764 1 2 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.287 2.066 25871 765 1 2 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.214 0.951 25871 766 1 2 . 1 1 755 755 PHE H H 755 8.498 8.498 8.278 0.220 25871 767 1 2 . 1 1 756 756 ASN N N 756 114.071 114.071 118.176 -4.105 25871 768 1 2 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.761 0.769 25871 769 1 2 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.499 0.305 25871 770 1 2 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.592 -0.659 25871 771 1 2 . 1 1 756 756 ASN H H 756 8.722 8.722 8.238 0.484 25871 772 1 2 . 1 1 757 757 HIS N N 757 119.524 119.524 119.401 0.123 25871 773 1 2 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.316 -0.194 25871 774 1 2 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.361 0.110 25871 775 1 2 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.113 -0.066 25871 776 1 2 . 1 1 757 757 HIS H H 757 8.027 8.027 8.219 -0.192 25871 777 1 2 . 1 1 758 758 PHE N N 758 113.439 113.439 116.084 -2.645 25871 778 1 2 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.445 -0.338 25871 779 1 2 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.893 0.175 25871 780 1 2 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.736 0.252 25871 781 1 2 . 1 1 758 758 PHE H H 758 7.322 7.322 7.981 -0.659 25871 782 1 2 . 1 1 759 759 ASP N N 759 121.632 121.632 119.747 1.885 25871 783 1 2 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.732 -0.116 25871 784 1 2 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.451 0.157 25871 785 1 2 . 1 1 759 759 ASP CB C 759 38.681 38.681 38.953 -0.272 25871 786 1 2 . 1 1 759 759 ASP H H 759 7.439 7.439 8.460 -1.021 25871 787 1 2 . 1 1 760 760 ARG N N 760 123.429 123.429 122.008 1.421 25871 788 1 2 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.793 0.032 25871 789 1 2 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.337 1.294 25871 790 1 2 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.045 0.028 25871 791 1 2 . 1 1 760 760 ARG H H 760 7.797 7.797 7.824 -0.027 25871 792 1 2 . 1 1 761 761 ASP N N 761 115.027 115.027 117.480 -2.453 25871 793 1 2 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.553 -0.072 25871 794 1 2 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.729 -1.251 25871 795 1 2 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.265 -1.765 25871 796 1 2 . 1 1 761 761 ASP H H 761 8.470 8.470 7.640 0.830 25871 797 1 2 . 1 1 762 762 HIS N N 762 117.442 117.442 116.359 1.083 25871 798 1 2 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.406 -0.169 25871 799 1 2 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.799 -0.306 25871 800 1 2 . 1 1 762 762 HIS CB C 762 26.581 26.581 26.972 -0.391 25871 801 1 2 . 1 1 762 762 HIS H H 762 7.716 7.716 7.670 0.046 25871 802 1 2 . 1 1 763 763 SER N N 763 117.624 117.624 115.602 2.022 25871 803 1 2 . 1 1 763 763 SER HA H 763 4.441 4.441 4.358 0.083 25871 804 1 2 . 1 1 763 763 SER CA C 763 59.706 59.706 59.720 -0.014 25871 805 1 2 . 1 1 763 763 SER CB C 763 65.228 65.228 64.481 0.747 25871 806 1 2 . 1 1 763 763 SER H H 763 9.708 9.708 8.316 1.392 25871 807 1 2 . 1 1 764 764 GLY N N 764 117.320 117.320 108.889 8.431 25871 808 1 2 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.525 0.234 25871 809 1 2 . 1 1 764 764 GLY H H 764 11.185 11.185 9.380 1.805 25871 810 1 2 . 1 1 765 765 THR N N 765 110.392 110.392 111.596 -1.204 25871 811 1 2 . 1 1 765 765 THR HA H 765 5.197 5.197 5.151 0.046 25871 812 1 2 . 1 1 765 765 THR CA C 765 59.125 59.125 60.736 -1.611 25871 813 1 2 . 1 1 765 765 THR CB C 765 73.022 73.022 72.040 0.982 25871 814 1 2 . 1 1 765 765 THR H H 765 7.972 7.972 7.642 0.330 25871 815 1 2 . 1 1 766 766 LEU N N 766 117.658 117.658 119.492 -1.834 25871 816 1 2 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.757 0.067 25871 817 1 2 . 1 1 766 766 LEU CA C 766 52.752 52.752 52.985 -0.233 25871 818 1 2 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.641 -1.428 25871 819 1 2 . 1 1 766 766 LEU H H 766 8.589 8.589 8.481 0.108 25871 820 1 2 . 1 1 767 767 GLY N N 767 108.644 108.644 107.259 1.385 25871 821 1 2 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.650 0.286 25871 822 1 2 . 1 1 767 767 GLY H H 767 8.601 8.601 8.555 0.046 25871 823 1 2 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.401 -0.120 25871 824 1 2 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.511 1.362 25871 825 1 2 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.196 -0.004 25871 826 1 2 . 1 1 769 769 GLU N N 769 115.170 115.170 119.736 -4.566 25871 827 1 2 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.848 0.084 25871 828 1 2 . 1 1 769 769 GLU CA C 769 59.773 59.773 60.028 -0.255 25871 829 1 2 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.062 -0.234 25871 830 1 2 . 1 1 769 769 GLU H H 769 8.649 8.649 8.913 -0.264 25871 831 1 2 . 1 1 770 770 GLU N N 770 121.294 121.294 120.672 0.622 25871 832 1 2 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.209 -0.096 25871 833 1 2 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.354 0.264 25871 834 1 2 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.148 1.155 25871 835 1 2 . 1 1 770 770 GLU H H 770 7.846 7.846 8.140 -0.294 25871 836 1 2 . 1 1 771 771 PHE N N 771 119.292 119.292 119.084 0.208 25871 837 1 2 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.086 0.156 25871 838 1 2 . 1 1 771 771 PHE CA C 771 59.104 59.104 60.014 -0.910 25871 839 1 2 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.752 -0.026 25871 840 1 2 . 1 1 771 771 PHE H H 771 8.876 8.876 8.454 0.422 25871 841 1 2 . 1 1 772 772 LYS N N 772 120.139 120.139 120.280 -0.141 25871 842 1 2 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.913 -0.737 25871 843 1 2 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.623 0.862 25871 844 1 2 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.293 -0.609 25871 845 1 2 . 1 1 772 772 LYS H H 772 8.404 8.404 7.886 0.518 25871 846 1 2 . 1 1 773 773 ALA N N 773 118.856 118.856 121.322 -2.466 25871 847 1 2 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.154 -0.362 25871 848 1 2 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.381 0.586 25871 849 1 2 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.377 -0.431 25871 850 1 2 . 1 1 773 773 ALA H H 773 7.180 7.180 8.006 -0.826 25871 851 1 2 . 1 1 774 774 CYS N N 774 121.600 121.600 117.806 3.794 25871 852 1 2 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.934 0.252 25871 853 1 2 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.380 0.199 25871 854 1 2 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.777 -0.747 25871 855 1 2 . 1 1 774 774 CYS H H 774 7.731 7.731 7.583 0.148 25871 856 1 2 . 1 1 775 775 LEU N N 775 120.029 120.029 120.333 -0.304 25871 857 1 2 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.534 0.305 25871 858 1 2 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.492 0.857 25871 859 1 2 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.303 -0.775 25871 860 1 2 . 1 1 775 775 LEU H H 775 8.353 8.353 7.211 1.142 25871 861 1 2 . 1 1 776 776 ILE N N 776 121.900 121.900 119.030 2.870 25871 862 1 2 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.090 0.139 25871 863 1 2 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.330 1.193 25871 864 1 2 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.600 0.661 25871 865 1 2 . 1 1 776 776 ILE H H 776 8.405 8.405 7.396 1.009 25871 866 1 2 . 1 1 777 777 SER N N 777 119.490 119.490 114.496 4.994 25871 867 1 2 . 1 1 777 777 SER HA H 777 4.435 4.435 4.254 0.181 25871 868 1 2 . 1 1 777 777 SER CA C 777 61.843 61.843 61.226 0.617 25871 869 1 2 . 1 1 777 777 SER CB C 777 62.953 62.953 63.012 -0.059 25871 870 1 2 . 1 1 777 777 SER H H 777 8.144 8.144 7.488 0.656 25871 871 1 2 . 1 1 778 778 LEU N N 778 122.142 122.142 119.043 3.099 25871 872 1 2 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.431 0.211 25871 873 1 2 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.340 -0.264 25871 874 1 2 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.805 -0.185 25871 875 1 2 . 1 1 778 778 LEU H H 778 7.644 7.644 7.806 -0.162 25871 876 1 2 . 1 1 779 779 GLY N N 779 106.613 106.613 105.705 0.908 25871 877 1 2 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.524 0.626 25871 878 1 2 . 1 1 779 779 GLY H H 779 7.982 7.982 7.546 0.436 25871 879 1 2 . 1 1 780 780 TYR N N 780 121.620 121.620 120.137 1.483 25871 880 1 2 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.594 -0.429 25871 881 1 2 . 1 1 780 780 TYR CA C 780 59.373 59.373 56.782 2.591 25871 882 1 2 . 1 1 780 780 TYR CB C 780 38.394 38.394 40.008 -1.614 25871 883 1 2 . 1 1 780 780 TYR H H 780 8.174 8.174 7.736 0.438 25871 884 1 2 . 1 1 781 781 ASP N N 781 124.225 124.225 121.370 2.855 25871 885 1 2 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.666 0.023 25871 886 1 2 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.674 -0.109 25871 887 1 2 . 1 1 781 781 ASP CB C 781 40.115 40.115 40.020 0.095 25871 888 1 2 . 1 1 781 781 ASP H H 781 8.650 8.650 8.848 -0.198 25871 889 1 2 . 1 1 782 782 ILE N N 782 123.492 123.492 121.784 1.708 25871 890 1 2 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.205 0.044 25871 891 1 2 . 1 1 782 782 ILE CA C 782 59.490 59.490 61.034 -1.544 25871 892 1 2 . 1 1 782 782 ILE CB C 782 38.425 38.425 36.925 1.500 25871 893 1 2 . 1 1 782 782 ILE H H 782 7.300 7.300 7.889 -0.589 25871 894 1 2 . 1 1 783 783 GLY N N 783 113.404 113.404 114.822 -1.418 25871 895 1 2 . 1 1 783 783 GLY CA C 783 44.630 44.630 45.394 -0.764 25871 896 1 2 . 1 1 783 783 GLY H H 783 8.345 8.345 8.200 0.145 25871 897 1 2 . 1 1 784 784 ASN N N 784 119.115 119.115 118.319 0.796 25871 898 1 2 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.323 0.605 25871 899 1 2 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.888 -1.833 25871 900 1 2 . 1 1 784 784 ASN CB C 784 37.467 37.467 38.170 -0.703 25871 901 1 2 . 1 1 784 784 ASN H H 784 8.476 8.476 8.534 -0.058 25871 902 1 2 . 1 1 785 785 ASP N N 785 119.675 119.675 116.519 3.156 25871 903 1 2 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.914 -0.094 25871 904 1 2 . 1 1 785 785 ASP CA C 785 52.365 52.365 52.123 0.242 25871 905 1 2 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.848 -2.112 25871 906 1 2 . 1 1 785 785 ASP H H 785 8.081 8.081 8.069 0.012 25871 907 1 2 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.421 -0.115 25871 908 1 2 . 1 1 786 786 PRO CA C 786 66.213 66.213 64.786 1.427 25871 909 1 2 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.254 -0.274 25871 910 1 2 . 1 1 787 787 GLN N N 787 118.154 118.154 117.724 0.430 25871 911 1 2 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.322 -0.144 25871 912 1 2 . 1 1 787 787 GLN CA C 787 59.433 59.433 57.905 1.528 25871 913 1 2 . 1 1 787 787 GLN CB C 787 27.668 27.668 28.192 -0.524 25871 914 1 2 . 1 1 787 787 GLN H H 787 8.413 8.413 8.440 -0.027 25871 915 1 2 . 1 1 788 788 GLY N N 788 113.343 113.343 108.740 4.603 25871 916 1 2 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.904 0.547 25871 917 1 2 . 1 1 788 788 GLY H H 788 8.644 8.644 8.978 -0.334 25871 918 1 2 . 1 1 789 789 GLU N N 789 121.232 121.232 121.815 -0.583 25871 919 1 2 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.115 0.046 25871 920 1 2 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.752 -0.319 25871 921 1 2 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.456 0.186 25871 922 1 2 . 1 1 789 789 GLU H H 789 8.539 8.539 8.019 0.520 25871 923 1 2 . 1 1 790 790 ALA N N 790 122.805 122.805 120.596 2.209 25871 924 1 2 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.147 0.126 25871 925 1 2 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.130 -0.182 25871 926 1 2 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.464 -0.563 25871 927 1 2 . 1 1 790 790 ALA H H 790 8.035 8.035 7.631 0.404 25871 928 1 2 . 1 1 791 791 GLU N N 791 122.504 122.504 117.230 5.274 25871 929 1 2 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.230 0.519 25871 930 1 2 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.439 1.028 25871 931 1 2 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.805 -1.226 25871 932 1 2 . 1 1 791 791 GLU H H 791 8.309 8.309 7.727 0.582 25871 933 1 2 . 1 1 792 792 PHE N N 792 119.966 119.966 122.219 -2.253 25871 934 1 2 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.212 -0.014 25871 935 1 2 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.798 0.821 25871 936 1 2 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.167 -0.702 25871 937 1 2 . 1 1 792 792 PHE H H 792 8.835 8.835 8.601 0.234 25871 938 1 2 . 1 1 793 793 ALA N N 793 119.978 119.978 122.258 -2.280 25871 939 1 2 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.602 0.304 25871 940 1 2 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.564 -0.544 25871 941 1 2 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.122 -0.486 25871 942 1 2 . 1 1 793 793 ALA H H 793 8.147 8.147 8.427 -0.280 25871 943 1 2 . 1 1 794 794 ARG N N 794 121.286 121.286 115.739 5.547 25871 944 1 2 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.082 -0.145 25871 945 1 2 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.206 1.430 25871 946 1 2 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.924 0.333 25871 947 1 2 . 1 1 794 794 ARG H H 794 7.953 7.953 7.281 0.672 25871 948 1 2 . 1 1 795 795 ILE N N 795 121.594 121.594 121.242 0.352 25871 949 1 2 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.451 -0.140 25871 950 1 2 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.945 1.231 25871 951 1 2 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.986 0.348 25871 952 1 2 . 1 1 795 795 ILE H H 795 8.091 8.091 7.200 0.891 25871 953 1 2 . 1 1 796 796 MET N N 796 118.593 118.593 117.758 0.835 25871 954 1 2 . 1 1 796 796 MET HA H 796 4.266 4.266 3.969 0.297 25871 955 1 2 . 1 1 796 796 MET CA C 796 56.204 56.204 59.135 -2.931 25871 956 1 2 . 1 1 796 796 MET CB C 796 29.453 29.453 31.717 -2.264 25871 957 1 2 . 1 1 796 796 MET H H 796 8.543 8.543 8.257 0.286 25871 958 1 2 . 1 1 797 797 SER N N 797 114.792 114.792 114.690 0.102 25871 959 1 2 . 1 1 797 797 SER HA H 797 4.131 4.131 4.213 -0.082 25871 960 1 2 . 1 1 797 797 SER CA C 797 61.233 61.233 61.677 -0.444 25871 961 1 2 . 1 1 797 797 SER CB C 797 63.017 63.017 62.929 0.088 25871 962 1 2 . 1 1 797 797 SER H H 797 7.740 7.740 7.593 0.147 25871 963 1 2 . 1 1 798 798 ILE N N 798 121.041 121.041 119.773 1.268 25871 964 1 2 . 1 1 798 798 ILE HA H 798 3.869 3.869 3.970 -0.101 25871 965 1 2 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.642 0.297 25871 966 1 2 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.973 -0.082 25871 967 1 2 . 1 1 798 798 ILE H H 798 7.352 7.352 7.587 -0.235 25871 968 1 2 . 1 1 799 799 VAL N N 799 110.418 110.418 112.049 -1.631 25871 969 1 2 . 1 1 799 799 VAL HA H 799 4.211 4.211 3.991 0.220 25871 970 1 2 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.471 -0.287 25871 971 1 2 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.475 -0.065 25871 972 1 2 . 1 1 799 799 VAL H H 799 7.806 7.806 7.841 -0.035 25871 973 1 2 . 1 1 800 800 ASP N N 800 119.703 119.703 118.844 0.859 25871 974 1 2 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.004 0.253 25871 975 1 2 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.932 -0.197 25871 976 1 2 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.421 -0.087 25871 977 1 2 . 1 1 800 800 ASP H H 800 8.124 8.124 7.629 0.495 25871 978 1 2 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.556 -0.196 25871 979 1 2 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.165 0.870 25871 980 1 2 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.391 -0.494 25871 981 1 2 . 1 1 802 802 ASN N N 802 115.156 115.156 117.481 -2.325 25871 982 1 2 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.656 0.123 25871 983 1 2 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.297 -0.069 25871 984 1 2 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.422 -0.208 25871 985 1 2 . 1 1 802 802 ASN H H 802 8.967 8.967 7.909 1.058 25871 986 1 2 . 1 1 803 803 ARG N N 803 117.568 117.568 115.968 1.600 25871 987 1 2 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.098 -0.249 25871 988 1 2 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.661 0.315 25871 989 1 2 . 1 1 803 803 ARG CB C 803 26.440 26.440 27.030 -0.590 25871 990 1 2 . 1 1 803 803 ARG H H 803 8.013 8.013 7.818 0.195 25871 991 1 2 . 1 1 804 804 LEU N N 804 122.899 122.899 119.939 2.960 25871 992 1 2 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.165 0.047 25871 993 1 2 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.874 0.286 25871 994 1 2 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.355 0.533 25871 995 1 2 . 1 1 804 804 LEU H H 804 10.338 10.338 8.798 1.540 25871 996 1 2 . 1 1 805 805 GLY N N 805 110.909 110.909 106.438 4.471 25871 997 1 2 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.402 -0.121 25871 998 1 2 . 1 1 805 805 GLY H H 805 10.955 10.955 9.135 1.820 25871 999 1 2 . 1 1 806 806 VAL N N 806 111.683 111.683 113.981 -2.298 25871 1000 1 2 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.267 -0.684 25871 1001 1 2 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.417 -0.002 25871 1002 1 2 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.017 1.286 25871 1003 1 2 . 1 1 806 806 VAL H H 806 6.806 6.806 7.526 -0.720 25871 1004 1 2 . 1 1 807 807 VAL N N 807 123.649 123.649 120.399 3.250 25871 1005 1 2 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.426 -0.240 25871 1006 1 2 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.448 1.232 25871 1007 1 2 . 1 1 807 807 VAL CB C 807 32.903 32.903 34.720 -1.817 25871 1008 1 2 . 1 1 807 807 VAL H H 807 9.156 9.156 8.844 0.312 25871 1009 1 2 . 1 1 808 808 THR N N 808 116.404 116.404 119.240 -2.836 25871 1010 1 2 . 1 1 808 808 THR HA H 808 4.782 4.782 4.778 0.004 25871 1011 1 2 . 1 1 808 808 THR CA C 808 62.526 62.526 59.554 2.972 25871 1012 1 2 . 1 1 808 808 THR CB C 808 69.707 69.707 71.070 -1.363 25871 1013 1 2 . 1 1 808 808 THR H H 808 7.948 7.948 8.241 -0.293 25871 1014 1 2 . 1 1 809 809 PHE N N 809 121.514 121.514 123.782 -2.268 25871 1015 1 2 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.479 -0.977 25871 1016 1 2 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.515 -0.737 25871 1017 1 2 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.985 -0.550 25871 1018 1 2 . 1 1 809 809 PHE H H 809 8.528 8.528 8.209 0.319 25871 1019 1 2 . 1 1 810 810 GLN N N 810 116.869 116.869 118.291 -1.422 25871 1020 1 2 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.718 -0.097 25871 1021 1 2 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.910 0.638 25871 1022 1 2 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.976 0.421 25871 1023 1 2 . 1 1 810 810 GLN H H 810 8.638 8.638 8.325 0.313 25871 1024 1 2 . 1 1 811 811 ALA N N 811 121.318 121.318 122.807 -1.489 25871 1025 1 2 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.994 0.154 25871 1026 1 2 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.561 0.528 25871 1027 1 2 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.655 0.585 25871 1028 1 2 . 1 1 811 811 ALA H H 811 7.795 7.795 7.503 0.292 25871 1029 1 2 . 1 1 812 812 PHE N N 812 119.498 119.498 116.586 2.912 25871 1030 1 2 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.829 0.348 25871 1031 1 2 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.398 1.099 25871 1032 1 2 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.639 0.387 25871 1033 1 2 . 1 1 812 812 PHE H H 812 8.093 8.093 7.745 0.348 25871 1034 1 2 . 1 1 813 813 ILE N N 813 119.554 119.554 118.068 1.486 25871 1035 1 2 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.637 0.508 25871 1036 1 2 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.728 -0.552 25871 1037 1 2 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.395 0.395 25871 1038 1 2 . 1 1 813 813 ILE H H 813 8.316 8.316 6.584 1.732 25871 1039 1 2 . 1 1 814 814 ASP N N 814 123.772 123.772 120.825 2.947 25871 1040 1 2 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.178 0.062 25871 1041 1 2 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.955 -0.052 25871 1042 1 2 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.787 -0.545 25871 1043 1 2 . 1 1 814 814 ASP H H 814 8.434 8.434 7.291 1.143 25871 1044 1 2 . 1 1 815 815 PHE N N 815 121.079 121.079 115.508 5.571 25871 1045 1 2 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.365 -0.192 25871 1046 1 2 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.859 2.266 25871 1047 1 2 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.113 1.179 25871 1048 1 2 . 1 1 815 815 PHE H H 815 7.904 7.904 6.972 0.932 25871 1049 1 2 . 1 1 816 816 MET N N 816 117.231 117.231 120.860 -3.629 25871 1050 1 2 . 1 1 816 816 MET HA H 816 3.864 3.864 4.264 -0.400 25871 1051 1 2 . 1 1 816 816 MET CA C 816 55.934 55.934 57.815 -1.881 25871 1052 1 2 . 1 1 816 816 MET CB C 816 30.451 30.451 31.335 -0.884 25871 1053 1 2 . 1 1 816 816 MET H H 816 8.270 8.270 7.335 0.935 25871 1054 1 2 . 1 1 817 817 SER N N 817 114.308 114.308 114.703 -0.395 25871 1055 1 2 . 1 1 817 817 SER HA H 817 4.209 4.209 4.081 0.128 25871 1056 1 2 . 1 1 817 817 SER CA C 817 60.410 60.410 60.531 -0.121 25871 1057 1 2 . 1 1 817 817 SER CB C 817 63.328 63.328 62.987 0.341 25871 1058 1 2 . 1 1 817 817 SER H H 817 8.100 8.100 7.732 0.368 25871 1059 1 2 . 1 1 818 818 ARG N N 818 121.459 121.459 119.882 1.577 25871 1060 1 2 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.117 0.047 25871 1061 1 2 . 1 1 818 818 ARG CA C 818 57.468 57.468 59.165 -1.697 25871 1062 1 2 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.275 0.110 25871 1063 1 2 . 1 1 818 818 ARG H H 818 7.329 7.329 7.381 -0.052 25871 1064 1 2 . 1 1 819 819 GLU N N 819 119.944 119.944 118.647 1.297 25871 1065 1 2 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.322 -0.158 25871 1066 1 2 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.487 -1.019 25871 1067 1 2 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.197 1.329 25871 1068 1 2 . 1 1 819 819 GLU H H 819 8.059 8.059 8.252 -0.193 25871 1069 1 2 . 1 1 820 820 THR N N 820 112.658 112.658 112.819 -0.161 25871 1070 1 2 . 1 1 820 820 THR HA H 820 4.309 4.309 4.492 -0.183 25871 1071 1 2 . 1 1 820 820 THR CA C 820 62.191 62.191 60.291 1.900 25871 1072 1 2 . 1 1 820 820 THR CB C 820 69.877 69.877 68.410 1.467 25871 1073 1 2 . 1 1 820 820 THR H H 820 7.789 7.789 7.843 -0.054 25871 1074 1 2 . 1 1 821 821 ALA N N 821 126.145 126.145 125.179 0.966 25871 1075 1 2 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.183 0.149 25871 1076 1 2 . 1 1 821 821 ALA CA C 821 52.816 52.816 54.388 -1.572 25871 1077 1 2 . 1 1 821 821 ALA CB C 821 19.459 19.459 19.314 0.145 25871 1078 1 2 . 1 1 821 821 ALA H H 821 8.003 8.003 7.366 0.637 25871 1079 1 2 . 1 1 822 822 ASP N N 822 120.003 120.003 115.708 4.295 25871 1080 1 2 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.698 -0.056 25871 1081 1 2 . 1 1 822 822 ASP CA C 822 54.439 54.439 53.297 1.143 25871 1082 1 2 . 1 1 822 822 ASP CB C 822 40.866 40.866 42.094 -1.228 25871 1083 1 2 . 1 1 822 822 ASP H H 822 8.330 8.330 8.212 0.118 25871 1084 1 2 . 1 1 823 823 THR N N 823 114.181 114.181 111.969 2.212 25871 1085 1 2 . 1 1 823 823 THR HA H 823 4.304 4.304 4.466 -0.162 25871 1086 1 2 . 1 1 823 823 THR CA C 823 62.284 62.284 61.261 1.023 25871 1087 1 2 . 1 1 823 823 THR CB C 823 69.738 69.738 70.645 -0.907 25871 1088 1 2 . 1 1 823 823 THR H H 823 8.093 8.093 8.058 0.035 25871 1089 1 2 . 1 1 824 824 ASP N N 824 123.285 123.285 124.893 -1.608 25871 1090 1 2 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.690 -0.039 25871 1091 1 2 . 1 1 824 824 ASP CA C 824 54.595 54.595 54.434 0.161 25871 1092 1 2 . 1 1 824 824 ASP CB C 824 41.145 41.145 40.699 0.446 25871 1093 1 2 . 1 1 824 824 ASP H H 824 8.426 8.426 8.756 -0.330 25871 1094 1 2 . 1 1 825 825 THR N N 825 114.970 114.970 114.615 0.355 25871 1095 1 2 . 1 1 825 825 THR HA H 825 4.313 4.313 4.036 0.277 25871 1096 1 2 . 1 1 825 825 THR CA C 825 62.329 62.329 64.632 -2.303 25871 1097 1 2 . 1 1 825 825 THR CB C 825 69.541 69.541 68.500 1.041 25871 1098 1 2 . 1 1 825 825 THR H H 825 8.157 8.157 7.666 0.491 25871 1099 1 2 . 1 1 826 826 ALA N N 826 124.991 124.991 121.549 3.442 25871 1100 1 2 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.407 -0.206 25871 1101 1 2 . 1 1 826 826 ALA CA C 826 54.473 54.473 52.597 1.876 25871 1102 1 2 . 1 1 826 826 ALA CB C 826 18.696 18.696 19.390 -0.694 25871 1103 1 2 . 1 1 826 826 ALA H H 826 8.374 8.374 8.117 0.257 25871 1104 1 2 . 1 1 827 827 ASP N N 827 117.795 117.795 119.737 -1.942 25871 1105 1 2 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.380 0.082 25871 1106 1 2 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.046 -0.895 25871 1107 1 2 . 1 1 827 827 ASP CB C 827 40.929 40.929 41.303 -0.374 25871 1108 1 2 . 1 1 827 827 ASP H H 827 8.255 8.255 8.082 0.173 25871 1109 1 2 . 1 1 828 828 GLN N N 828 120.646 120.646 118.041 2.605 25871 1110 1 2 . 1 1 828 828 GLN HA H 828 4.121 4.121 3.982 0.139 25871 1111 1 2 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.493 -0.543 25871 1112 1 2 . 1 1 828 828 GLN CB C 828 28.586 28.586 27.517 1.069 25871 1113 1 2 . 1 1 828 828 GLN H H 828 8.086 8.086 8.057 0.029 25871 1114 1 2 . 1 1 829 829 VAL N N 829 120.933 120.933 119.815 1.118 25871 1115 1 2 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.638 -0.087 25871 1116 1 2 . 1 1 829 829 VAL CA C 829 65.321 65.321 65.284 0.037 25871 1117 1 2 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.832 -0.082 25871 1118 1 2 . 1 1 829 829 VAL H H 829 8.048 8.048 7.512 0.536 25871 1119 1 2 . 1 1 830 830 MET N N 830 119.386 119.386 120.900 -1.514 25871 1120 1 2 . 1 1 830 830 MET HA H 830 4.030 4.030 4.492 -0.462 25871 1121 1 2 . 1 1 830 830 MET CA C 830 58.013 58.013 58.052 -0.039 25871 1122 1 2 . 1 1 830 830 MET CB C 830 32.110 32.110 32.248 -0.139 25871 1123 1 2 . 1 1 830 830 MET H H 830 8.088 8.088 7.639 0.449 25871 1124 1 2 . 1 1 831 831 ALA N N 831 121.027 121.027 121.492 -0.465 25871 1125 1 2 . 1 1 831 831 ALA HA H 831 4.075 4.075 4.003 0.072 25871 1126 1 2 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.437 -0.818 25871 1127 1 2 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.037 0.089 25871 1128 1 2 . 1 1 831 831 ALA H H 831 7.829 7.829 8.512 -0.683 25871 1129 1 2 . 1 1 832 832 SER N N 832 114.314 114.314 115.158 -0.844 25871 1130 1 2 . 1 1 832 832 SER HA H 832 4.181 4.181 4.102 0.079 25871 1131 1 2 . 1 1 832 832 SER CA C 832 61.039 61.039 61.531 -0.492 25871 1132 1 2 . 1 1 832 832 SER CB C 832 62.671 62.671 62.559 0.112 25871 1133 1 2 . 1 1 832 832 SER H H 832 7.711 7.711 7.849 -0.138 25871 1134 1 2 . 1 1 833 833 PHE N N 833 121.898 121.898 121.790 0.108 25871 1135 1 2 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.188 0.042 25871 1136 1 2 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.719 -1.285 25871 1137 1 2 . 1 1 833 833 PHE CB C 833 38.249 38.249 37.902 0.347 25871 1138 1 2 . 1 1 833 833 PHE H H 833 7.717 7.717 7.158 0.559 25871 1139 1 2 . 1 1 834 834 LYS N N 834 118.752 118.752 119.419 -0.667 25871 1140 1 2 . 1 1 834 834 LYS HA H 834 3.622 3.622 4.227 -0.605 25871 1141 1 2 . 1 1 834 834 LYS CA C 834 59.425 59.425 58.858 0.567 25871 1142 1 2 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.321 -0.137 25871 1143 1 2 . 1 1 834 834 LYS H H 834 7.844 7.844 7.782 0.062 25871 1144 1 2 . 1 1 835 835 ILE N N 835 118.528 118.528 117.402 1.126 25871 1145 1 2 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.871 -0.101 25871 1146 1 2 . 1 1 835 835 ILE CA C 835 63.719 63.719 63.915 -0.196 25871 1147 1 2 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.585 -0.679 25871 1148 1 2 . 1 1 835 835 ILE H H 835 7.311 7.311 7.241 0.070 25871 1149 1 2 . 1 1 836 836 LEU N N 836 121.176 121.176 117.126 4.050 25871 1150 1 2 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.370 -0.380 25871 1151 1 2 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.735 0.431 25871 1152 1 2 . 1 1 836 836 LEU CB C 836 42.496 42.496 42.252 0.244 25871 1153 1 2 . 1 1 836 836 LEU H H 836 7.617 7.617 7.306 0.311 25871 1154 1 2 . 1 1 837 837 ALA N N 837 119.189 119.189 119.834 -0.645 25871 1155 1 2 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.470 -0.546 25871 1156 1 2 . 1 1 837 837 ALA CA C 837 53.417 53.417 50.918 2.499 25871 1157 1 2 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.625 0.767 25871 1158 1 2 . 1 1 837 837 ALA H H 837 8.092 8.092 8.151 -0.059 25871 1159 1 2 . 1 1 838 838 GLY N N 838 106.965 106.965 108.845 -1.880 25871 1160 1 2 . 1 1 838 838 GLY CA C 838 47.029 47.029 47.129 -0.100 25871 1161 1 2 . 1 1 838 838 GLY H H 838 7.667 7.667 8.239 -0.572 25871 1162 1 2 . 1 1 839 839 ASP N N 839 122.392 122.392 120.052 2.340 25871 1163 1 2 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.604 -0.087 25871 1164 1 2 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.516 -0.935 25871 1165 1 2 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.011 -0.427 25871 1166 1 2 . 1 1 839 839 ASP H H 839 8.703 8.703 8.625 0.078 25871 1167 1 2 . 1 1 840 840 LYS N N 840 117.603 117.603 117.452 0.151 25871 1168 1 2 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.713 -0.381 25871 1169 1 2 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.523 1.444 25871 1170 1 2 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.293 -1.542 25871 1171 1 2 . 1 1 840 840 LYS H H 840 7.592 7.592 7.934 -0.342 25871 1172 1 2 . 1 1 841 841 ASN N N 841 116.654 116.654 116.814 -0.160 25871 1173 1 2 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.872 -0.230 25871 1174 1 2 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.002 0.695 25871 1175 1 2 . 1 1 841 841 ASN CB C 841 39.256 39.256 38.867 0.389 25871 1176 1 2 . 1 1 841 841 ASN H H 841 8.689 8.689 8.959 -0.270 25871 1177 1 2 . 1 1 842 842 TYR N N 842 112.231 112.231 113.778 -1.547 25871 1178 1 2 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.936 0.077 25871 1179 1 2 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.039 -1.906 25871 1180 1 2 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.325 1.304 25871 1181 1 2 . 1 1 842 842 TYR H H 842 6.638 6.638 7.295 -0.657 25871 1182 1 2 . 1 1 843 843 ILE N N 843 115.455 115.455 118.939 -3.484 25871 1183 1 2 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.441 0.359 25871 1184 1 2 . 1 1 843 843 ILE CA C 843 59.462 59.462 58.819 0.643 25871 1185 1 2 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.901 0.568 25871 1186 1 2 . 1 1 843 843 ILE H H 843 8.626 8.626 9.143 -0.517 25871 1187 1 2 . 1 1 844 844 THR N N 844 117.140 117.140 116.062 1.078 25871 1188 1 2 . 1 1 844 844 THR HA H 844 5.393 5.393 5.288 0.105 25871 1189 1 2 . 1 1 844 844 THR CA C 844 60.380 60.380 59.594 0.785 25871 1190 1 2 . 1 1 844 844 THR CB C 844 71.475 71.475 71.172 0.303 25871 1191 1 2 . 1 1 844 844 THR H H 844 9.329 9.329 8.733 0.596 25871 1192 1 2 . 1 1 845 845 MET N N 845 119.879 119.879 119.504 0.375 25871 1193 1 2 . 1 1 845 845 MET HA H 845 3.852 3.852 3.977 -0.125 25871 1194 1 2 . 1 1 845 845 MET CA C 845 60.389 60.389 60.764 -0.375 25871 1195 1 2 . 1 1 845 845 MET CB C 845 33.110 33.110 32.222 0.888 25871 1196 1 2 . 1 1 845 845 MET H H 845 8.555 8.555 8.757 -0.202 25871 1197 1 2 . 1 1 846 846 ASP N N 846 116.360 116.360 117.899 -1.539 25871 1198 1 2 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.395 -0.085 25871 1199 1 2 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.172 0.317 25871 1200 1 2 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.285 0.387 25871 1201 1 2 . 1 1 846 846 ASP H H 846 8.375 8.375 8.561 -0.186 25871 1202 1 2 . 1 1 847 847 GLU N N 847 120.575 120.575 118.656 1.919 25871 1203 1 2 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.133 -0.247 25871 1204 1 2 . 1 1 847 847 GLU CA C 847 59.754 59.754 58.638 1.116 25871 1205 1 2 . 1 1 847 847 GLU CB C 847 29.757 29.757 30.031 -0.274 25871 1206 1 2 . 1 1 847 847 GLU H H 847 7.852 7.852 7.476 0.376 25871 1207 1 2 . 1 1 848 848 LEU N N 848 118.753 118.753 118.164 0.589 25871 1208 1 2 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.232 -0.372 25871 1209 1 2 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.099 0.584 25871 1210 1 2 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.373 1.151 25871 1211 1 2 . 1 1 848 848 LEU H H 848 7.834 7.834 7.879 -0.045 25871 1212 1 2 . 1 1 849 849 ARG N N 849 113.976 113.976 118.260 -4.284 25871 1213 1 2 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.057 -0.097 25871 1214 1 2 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.906 -0.310 25871 1215 1 2 . 1 1 849 849 ARG CB C 849 30.145 30.145 29.940 0.205 25871 1216 1 2 . 1 1 849 849 ARG H H 849 8.055 8.055 7.784 0.271 25871 1217 1 2 . 1 1 850 850 ARG N N 850 118.184 118.184 118.361 -0.177 25871 1218 1 2 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.221 0.010 25871 1219 1 2 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.547 -0.168 25871 1220 1 2 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.923 1.190 25871 1221 1 2 . 1 1 850 850 ARG H H 850 7.739 7.739 7.696 0.043 25871 1222 1 2 . 1 1 851 851 GLU N N 851 115.550 115.550 119.179 -3.629 25871 1223 1 2 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.263 0.117 25871 1224 1 2 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.093 -1.099 25871 1225 1 2 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.642 1.043 25871 1226 1 2 . 1 1 851 851 GLU H H 851 7.591 7.591 7.721 -0.130 25871 1227 1 2 . 1 1 852 852 LEU N N 852 119.170 119.170 119.545 -0.375 25871 1228 1 2 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.845 0.081 25871 1229 1 2 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.360 -0.069 25871 1230 1 2 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.423 1.215 25871 1231 1 2 . 1 1 852 852 LEU H H 852 7.891 7.891 7.600 0.291 25871 1232 1 2 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.564 -0.259 25871 1233 1 2 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.353 4.049 25871 1234 1 2 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.281 0.043 25871 1235 1 2 . 1 1 855 855 ASP N N 855 114.853 114.853 118.703 -3.850 25871 1236 1 2 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.325 0.054 25871 1237 1 2 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.107 -0.049 25871 1238 1 2 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.053 -0.814 25871 1239 1 2 . 1 1 855 855 ASP H H 855 8.796 8.796 8.623 0.173 25871 1240 1 2 . 1 1 856 856 GLN N N 856 121.513 121.513 118.514 2.999 25871 1241 1 2 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.946 0.294 25871 1242 1 2 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.377 0.007 25871 1243 1 2 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.843 1.500 25871 1244 1 2 . 1 1 856 856 GLN H H 856 7.471 7.471 8.378 -0.907 25871 1245 1 2 . 1 1 857 857 ALA N N 857 122.821 122.821 121.811 1.010 25871 1246 1 2 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.036 -0.206 25871 1247 1 2 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.743 0.662 25871 1248 1 2 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.189 -0.205 25871 1249 1 2 . 1 1 857 857 ALA H H 857 8.889 8.889 8.260 0.629 25871 1250 1 2 . 1 1 858 858 GLU N N 858 114.091 114.091 119.314 -5.223 25871 1251 1 2 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.084 -0.028 25871 1252 1 2 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.490 -0.709 25871 1253 1 2 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.541 -0.874 25871 1254 1 2 . 1 1 858 858 GLU H H 858 8.143 8.143 7.816 0.327 25871 1255 1 2 . 1 1 859 859 TYR N N 859 120.670 120.670 118.703 1.967 25871 1256 1 2 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.288 -0.161 25871 1257 1 2 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.199 -0.051 25871 1258 1 2 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.835 0.903 25871 1259 1 2 . 1 1 859 859 TYR H H 859 7.708 7.708 8.565 -0.857 25871 1260 1 2 . 1 1 860 860 CYS N N 860 115.848 115.848 118.617 -2.769 25871 1261 1 2 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.092 0.096 25871 1262 1 2 . 1 1 860 860 CYS CA C 860 64.438 64.438 63.666 0.773 25871 1263 1 2 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.635 -0.170 25871 1264 1 2 . 1 1 860 860 CYS H H 860 8.119 8.119 7.957 0.162 25871 1265 1 2 . 1 1 861 861 ILE N N 861 120.124 120.124 120.931 -0.807 25871 1266 1 2 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.550 -0.186 25871 1267 1 2 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.697 0.035 25871 1268 1 2 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.771 0.951 25871 1269 1 2 . 1 1 861 861 ILE H H 861 8.451 8.451 8.224 0.227 25871 1270 1 2 . 1 1 862 862 ALA N N 862 116.691 116.691 119.519 -2.828 25871 1271 1 2 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.104 0.146 25871 1272 1 2 . 1 1 862 862 ALA CA C 862 53.428 53.428 53.916 -0.487 25871 1273 1 2 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.355 0.721 25871 1274 1 2 . 1 1 862 862 ALA H H 862 7.304 7.304 8.018 -0.714 25871 1275 1 2 . 1 1 863 863 ARG N N 863 117.259 117.259 116.695 0.564 25871 1276 1 2 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.250 0.042 25871 1277 1 2 . 1 1 863 863 ARG CA C 863 56.439 56.439 56.004 0.435 25871 1278 1 2 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.507 -0.049 25871 1279 1 2 . 1 1 863 863 ARG H H 863 7.357 7.357 7.427 -0.070 25871 1280 1 2 . 1 1 864 864 MET N N 864 117.570 117.570 118.662 -1.092 25871 1281 1 2 . 1 1 864 864 MET HA H 864 4.598 4.598 4.039 0.559 25871 1282 1 2 . 1 1 864 864 MET CA C 864 55.180 55.180 56.714 -1.534 25871 1283 1 2 . 1 1 864 864 MET CB C 864 37.428 37.428 33.832 3.596 25871 1284 1 2 . 1 1 864 864 MET H H 864 7.147 7.147 7.795 -0.648 25871 1285 1 2 . 1 1 865 865 ALA N N 865 124.616 124.616 124.450 0.166 25871 1286 1 2 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.964 -1.031 25871 1287 1 2 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.535 -0.255 25871 1288 1 2 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.695 -0.046 25871 1289 1 2 . 1 1 865 865 ALA H H 865 8.548 8.548 8.372 0.176 25871 1290 1 2 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.524 -0.005 25871 1291 1 2 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.483 0.338 25871 1292 1 2 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.519 -0.528 25871 1293 1 2 . 1 1 867 867 TYR N N 867 122.454 122.454 123.250 -0.796 25871 1294 1 2 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.637 -0.482 25871 1295 1 2 . 1 1 867 867 TYR CA C 867 56.951 56.951 58.164 -1.213 25871 1296 1 2 . 1 1 867 867 TYR CB C 867 43.347 43.347 40.974 2.373 25871 1297 1 2 . 1 1 867 867 TYR H H 867 8.127 8.127 8.226 -0.099 25871 1298 1 2 . 1 1 869 869 GLY N N 869 105.881 105.881 111.704 -5.823 25871 1299 1 2 . 1 1 869 869 GLY CA C 869 45.090 45.090 44.807 0.283 25871 1300 1 2 . 1 1 869 869 GLY H H 869 5.440 5.440 7.851 -2.411 25871 1301 1 2 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.426 -0.065 25871 1302 1 2 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.537 0.304 25871 1303 1 2 . 1 1 870 870 PRO CB C 870 31.630 31.630 32.059 -0.429 25871 1304 1 2 . 1 1 871 871 ASP N N 871 116.217 116.217 119.462 -3.245 25871 1305 1 2 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.803 -0.167 25871 1306 1 2 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.700 -0.750 25871 1307 1 2 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.956 -1.806 25871 1308 1 2 . 1 1 871 871 ASP H H 871 9.263 9.263 8.274 0.989 25871 1309 1 2 . 1 1 872 872 SER N N 872 112.352 112.352 116.402 -4.050 25871 1310 1 2 . 1 1 872 872 SER HA H 872 3.530 3.530 4.319 -0.789 25871 1311 1 2 . 1 1 872 872 SER CA C 872 59.184 59.184 59.205 -0.021 25871 1312 1 2 . 1 1 872 872 SER CB C 872 63.286 63.286 64.576 -1.290 25871 1313 1 2 . 1 1 872 872 SER H H 872 7.487 7.487 7.613 -0.126 25871 1314 1 2 . 1 1 873 873 VAL N N 873 113.588 113.588 115.162 -1.574 25871 1315 1 2 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.603 0.150 25871 1316 1 2 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.223 -0.155 25871 1317 1 2 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.008 -0.091 25871 1318 1 2 . 1 1 873 873 VAL H H 873 6.411 6.411 7.771 -1.360 25871 1319 1 2 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.450 -0.120 25871 1320 1 2 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.533 -0.223 25871 1321 1 2 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.871 -0.248 25871 1322 1 2 . 1 1 875 875 GLY N N 875 112.109 112.109 106.950 5.159 25871 1323 1 2 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.207 1.285 25871 1324 1 2 . 1 1 875 875 GLY H H 875 8.798 8.798 8.240 0.558 25871 1325 1 2 . 1 1 876 876 ALA N N 876 120.267 120.267 124.113 -3.846 25871 1326 1 2 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.385 -1.248 25871 1327 1 2 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.768 2.495 25871 1328 1 2 . 1 1 876 876 ALA CB C 876 20.554 20.554 21.006 -0.452 25871 1329 1 2 . 1 1 876 876 ALA H H 876 7.762 7.762 7.643 0.119 25871 1330 1 2 . 1 1 877 877 LEU N N 877 125.696 125.696 122.857 2.839 25871 1331 1 2 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.026 -0.222 25871 1332 1 2 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.943 0.349 25871 1333 1 2 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.697 -1.856 25871 1334 1 2 . 1 1 877 877 LEU H H 877 9.598 9.598 9.440 0.158 25871 1335 1 2 . 1 1 878 878 ASP N N 878 119.836 119.836 122.548 -2.712 25871 1336 1 2 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.052 -0.133 25871 1337 1 2 . 1 1 878 878 ASP CA C 878 52.130 52.130 53.063 -0.933 25871 1338 1 2 . 1 1 878 878 ASP CB C 878 40.798 40.798 42.282 -1.484 25871 1339 1 2 . 1 1 878 878 ASP H H 878 9.028 9.028 8.674 0.354 25871 1340 1 2 . 1 1 879 879 TYR N N 879 126.600 126.600 124.302 2.298 25871 1341 1 2 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.398 0.220 25871 1342 1 2 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.401 0.156 25871 1343 1 2 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.356 -0.832 25871 1344 1 2 . 1 1 879 879 TYR H H 879 7.454 7.454 8.273 -0.819 25871 1345 1 2 . 1 1 880 880 MET N N 880 119.910 119.910 118.904 1.006 25871 1346 1 2 . 1 1 880 880 MET HA H 880 4.619 4.619 3.768 0.851 25871 1347 1 2 . 1 1 880 880 MET CA C 880 56.205 56.205 58.118 -1.913 25871 1348 1 2 . 1 1 880 880 MET CB C 880 32.338 32.338 32.068 0.270 25871 1349 1 2 . 1 1 880 880 MET H H 880 7.620 7.620 7.487 0.133 25871 1350 1 2 . 1 1 881 881 SER N N 881 114.353 114.353 113.501 0.852 25871 1351 1 2 . 1 1 881 881 SER HA H 881 4.501 4.501 4.476 0.025 25871 1352 1 2 . 1 1 881 881 SER CA C 881 58.957 58.957 58.816 0.141 25871 1353 1 2 . 1 1 881 881 SER CB C 881 64.284 64.284 63.476 0.808 25871 1354 1 2 . 1 1 881 881 SER H H 881 7.721 7.721 7.956 -0.235 25871 1355 1 2 . 1 1 882 882 PHE N N 882 122.746 122.746 124.669 -1.923 25871 1356 1 2 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.668 0.081 25871 1357 1 2 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.325 -0.874 25871 1358 1 2 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.774 1.522 25871 1359 1 2 . 1 1 882 882 PHE H H 882 7.386 7.386 7.888 -0.502 25871 1360 1 2 . 1 1 883 883 SER N N 883 120.214 120.214 114.379 5.835 25871 1361 1 2 . 1 1 883 883 SER HA H 883 4.338 4.338 3.952 0.386 25871 1362 1 2 . 1 1 883 883 SER CA C 883 57.455 57.455 61.181 -3.726 25871 1363 1 2 . 1 1 883 883 SER CB C 883 64.684 64.684 62.858 1.826 25871 1364 1 2 . 1 1 883 883 SER H H 883 7.464 7.464 8.562 -1.098 25871 1365 1 2 . 1 1 884 884 THR N N 884 110.671 110.671 112.185 -1.514 25871 1366 1 2 . 1 1 884 884 THR HA H 884 4.008 4.008 4.334 -0.326 25871 1367 1 2 . 1 1 884 884 THR CA C 884 63.367 63.367 61.278 2.089 25871 1368 1 2 . 1 1 884 884 THR CB C 884 69.088 69.088 69.546 -0.458 25871 1369 1 2 . 1 1 884 884 THR H H 884 7.993 7.993 7.590 0.403 25871 1370 1 2 . 1 1 885 885 ALA N N 885 125.453 125.453 124.117 1.336 25871 1371 1 2 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.717 -0.447 25871 1372 1 2 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.027 0.133 25871 1373 1 2 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.081 -1.771 25871 1374 1 2 . 1 1 885 885 ALA H H 885 7.905 7.905 7.387 0.518 25871 1375 1 2 . 1 1 886 886 LEU N N 886 120.791 120.791 120.147 0.644 25871 1376 1 2 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.603 -1.556 25871 1377 1 2 . 1 1 886 886 LEU CA C 886 55.496 55.496 54.501 0.995 25871 1378 1 2 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.930 -3.591 25871 1379 1 2 . 1 1 886 886 LEU H H 886 8.087 8.087 8.246 -0.159 25871 1380 1 2 . 1 1 887 887 TYR N N 887 121.620 121.620 114.976 6.644 25871 1381 1 2 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.957 -0.554 25871 1382 1 2 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.011 1.783 25871 1383 1 2 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.960 -1.339 25871 1384 1 2 . 1 1 887 887 TYR H H 887 8.272 8.272 7.979 0.292 25871 1385 1 2 . 1 1 888 888 GLY N N 888 112.443 112.443 110.377 2.066 25871 1386 1 2 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.228 0.967 25871 1387 1 2 . 1 1 888 888 GLY H H 888 8.087 8.087 8.241 -0.154 25871 1388 1 2 . 1 1 889 889 GLU N N 889 120.272 120.272 120.062 0.210 25871 1389 1 2 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.268 0.027 25871 1390 1 2 . 1 1 889 889 GLU CA C 889 56.593 56.593 56.745 -0.152 25871 1391 1 2 . 1 1 889 889 GLU CB C 889 30.601 30.601 30.358 0.243 25871 1392 1 2 . 1 1 889 889 GLU H H 889 7.991 7.991 7.801 0.190 25871 1393 1 2 . 1 1 890 890 SER N N 890 116.330 116.330 116.933 -0.603 25871 1394 1 2 . 1 1 890 890 SER HA H 890 4.452 4.452 4.508 -0.056 25871 1395 1 2 . 1 1 890 890 SER CA C 890 58.334 58.334 57.386 0.948 25871 1396 1 2 . 1 1 890 890 SER CB C 890 64.174 64.174 64.443 -0.269 25871 1397 1 2 . 1 1 890 890 SER H H 890 8.325 8.325 8.106 0.219 25871 1398 1 2 . 1 1 891 891 ASP N N 891 122.987 122.987 121.496 1.491 25871 1399 1 2 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.698 -0.046 25871 1400 1 2 . 1 1 891 891 ASP CA C 891 54.534 54.534 55.372 -0.838 25871 1401 1 2 . 1 1 891 891 ASP CB C 891 40.981 40.981 41.284 -0.303 25871 1402 1 2 . 1 1 891 891 ASP H H 891 8.387 8.387 8.464 -0.077 25871 1403 1 3 . 1 1 743 743 ILE N N 743 122.085 122.085 122.789 -0.704 25871 1404 1 3 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.220 0.136 25871 1405 1 3 . 1 1 743 743 ILE CA C 743 60.624 60.624 61.660 -1.036 25871 1406 1 3 . 1 1 743 743 ILE CB C 743 39.023 39.023 37.659 1.364 25871 1407 1 3 . 1 1 743 743 ILE H H 743 8.122 8.122 8.276 -0.154 25871 1408 1 3 . 1 1 744 744 SER N N 744 123.378 123.378 122.727 0.651 25871 1409 1 3 . 1 1 744 744 SER HA H 744 4.472 4.472 4.640 -0.168 25871 1410 1 3 . 1 1 744 744 SER CA C 744 57.581 57.581 57.485 0.096 25871 1411 1 3 . 1 1 744 744 SER CB C 744 65.276 65.276 65.126 0.150 25871 1412 1 3 . 1 1 744 744 SER H H 744 8.844 8.844 8.407 0.437 25871 1413 1 3 . 1 1 745 745 GLN N N 745 121.612 121.612 121.331 0.281 25871 1414 1 3 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.191 -0.213 25871 1415 1 3 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.487 -0.600 25871 1416 1 3 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.687 -0.161 25871 1417 1 3 . 1 1 745 745 GLN H H 745 9.035 9.035 8.860 0.175 25871 1418 1 3 . 1 1 746 746 GLU N N 746 118.618 118.618 116.734 1.884 25871 1419 1 3 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.138 -0.104 25871 1420 1 3 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.842 1.455 25871 1421 1 3 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.749 0.195 25871 1422 1 3 . 1 1 746 746 GLU H H 746 8.718 8.718 8.818 -0.100 25871 1423 1 3 . 1 1 747 747 GLN N N 747 120.436 120.436 119.853 0.583 25871 1424 1 3 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.274 -0.451 25871 1425 1 3 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.833 -0.329 25871 1426 1 3 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.188 -0.233 25871 1427 1 3 . 1 1 747 747 GLN H H 747 7.821 7.821 7.410 0.411 25871 1428 1 3 . 1 1 748 748 MET N N 748 119.174 119.174 117.658 1.516 25871 1429 1 3 . 1 1 748 748 MET HA H 748 4.228 4.228 4.523 -0.295 25871 1430 1 3 . 1 1 748 748 MET CA C 748 58.305 58.305 59.278 -0.973 25871 1431 1 3 . 1 1 748 748 MET CB C 748 30.922 30.922 32.239 -1.317 25871 1432 1 3 . 1 1 748 748 MET H H 748 8.477 8.477 8.153 0.324 25871 1433 1 3 . 1 1 749 749 ASN N N 749 117.610 117.610 119.683 -2.073 25871 1434 1 3 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.441 0.064 25871 1435 1 3 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.856 -0.894 25871 1436 1 3 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.428 -0.523 25871 1437 1 3 . 1 1 749 749 ASN H H 749 8.302 8.302 8.035 0.267 25871 1438 1 3 . 1 1 750 750 GLU N N 750 122.737 122.737 120.230 2.507 25871 1439 1 3 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.078 0.168 25871 1440 1 3 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.703 0.822 25871 1441 1 3 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.046 0.363 25871 1442 1 3 . 1 1 750 750 GLU H H 750 7.789 7.789 7.900 -0.111 25871 1443 1 3 . 1 1 751 751 PHE N N 751 120.358 120.358 121.654 -1.296 25871 1444 1 3 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.289 0.689 25871 1445 1 3 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.485 -3.842 25871 1446 1 3 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.934 -1.456 25871 1447 1 3 . 1 1 751 751 PHE H H 751 8.772 8.772 8.579 0.193 25871 1448 1 3 . 1 1 752 752 ARG N N 752 120.173 120.173 119.349 0.824 25871 1449 1 3 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.322 -0.175 25871 1450 1 3 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.901 -3.100 25871 1451 1 3 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.141 0.221 25871 1452 1 3 . 1 1 752 752 ARG H H 752 8.990 8.990 8.665 0.325 25871 1453 1 3 . 1 1 753 753 ALA N N 753 120.965 120.965 121.894 -0.929 25871 1454 1 3 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.210 0.045 25871 1455 1 3 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.125 0.300 25871 1456 1 3 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.227 -0.215 25871 1457 1 3 . 1 1 753 753 ALA H H 753 8.136 8.136 8.480 -0.344 25871 1458 1 3 . 1 1 754 754 SER N N 754 115.350 115.350 116.048 -0.698 25871 1459 1 3 . 1 1 754 754 SER HA H 754 4.451 4.451 4.375 0.076 25871 1460 1 3 . 1 1 754 754 SER CA C 754 63.045 63.045 62.726 0.319 25871 1461 1 3 . 1 1 754 754 SER CB C 754 63.111 63.111 63.386 -0.275 25871 1462 1 3 . 1 1 754 754 SER H H 754 8.366 8.366 8.571 -0.205 25871 1463 1 3 . 1 1 755 755 PHE N N 755 121.902 121.902 122.882 -0.980 25871 1464 1 3 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.326 -0.340 25871 1465 1 3 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.232 2.121 25871 1466 1 3 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.120 1.045 25871 1467 1 3 . 1 1 755 755 PHE H H 755 8.498 8.498 8.230 0.268 25871 1468 1 3 . 1 1 756 756 ASN N N 756 114.071 114.071 117.854 -3.783 25871 1469 1 3 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.671 0.859 25871 1470 1 3 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.633 0.172 25871 1471 1 3 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.462 -0.529 25871 1472 1 3 . 1 1 756 756 ASN H H 756 8.722 8.722 8.034 0.688 25871 1473 1 3 . 1 1 757 757 HIS N N 757 119.524 119.524 119.084 0.440 25871 1474 1 3 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.318 -0.196 25871 1475 1 3 . 1 1 757 757 HIS CA C 757 59.470 59.470 58.826 0.644 25871 1476 1 3 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.255 -0.208 25871 1477 1 3 . 1 1 757 757 HIS H H 757 8.027 8.027 8.072 -0.045 25871 1478 1 3 . 1 1 758 758 PHE N N 758 113.439 113.439 116.001 -2.562 25871 1479 1 3 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.316 -0.209 25871 1480 1 3 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.776 0.292 25871 1481 1 3 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.625 0.363 25871 1482 1 3 . 1 1 758 758 PHE H H 758 7.322 7.322 8.057 -0.735 25871 1483 1 3 . 1 1 759 759 ASP N N 759 121.632 121.632 119.851 1.781 25871 1484 1 3 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.788 -0.172 25871 1485 1 3 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.530 0.078 25871 1486 1 3 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.068 -0.387 25871 1487 1 3 . 1 1 759 759 ASP H H 759 7.439 7.439 8.458 -1.019 25871 1488 1 3 . 1 1 760 760 ARG N N 760 123.429 123.429 121.863 1.566 25871 1489 1 3 . 1 1 760 760 ARG HA H 760 3.825 3.825 4.198 -0.373 25871 1490 1 3 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.755 0.876 25871 1491 1 3 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.203 -0.130 25871 1492 1 3 . 1 1 760 760 ARG H H 760 7.797 7.797 7.928 -0.131 25871 1493 1 3 . 1 1 761 761 ASP N N 761 115.027 115.027 118.158 -3.131 25871 1494 1 3 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.460 0.021 25871 1495 1 3 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.185 -0.707 25871 1496 1 3 . 1 1 761 761 ASP CB C 761 39.500 39.500 40.508 -1.008 25871 1497 1 3 . 1 1 761 761 ASP H H 761 8.470 8.470 7.883 0.587 25871 1498 1 3 . 1 1 762 762 HIS N N 762 117.442 117.442 113.993 3.449 25871 1499 1 3 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.432 -0.195 25871 1500 1 3 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.062 0.431 25871 1501 1 3 . 1 1 762 762 HIS CB C 762 26.581 26.581 27.180 -0.599 25871 1502 1 3 . 1 1 762 762 HIS H H 762 7.716 7.716 7.755 -0.039 25871 1503 1 3 . 1 1 763 763 SER N N 763 117.624 117.624 115.603 2.021 25871 1504 1 3 . 1 1 763 763 SER HA H 763 4.441 4.441 4.319 0.122 25871 1505 1 3 . 1 1 763 763 SER CA C 763 59.706 59.706 59.079 0.627 25871 1506 1 3 . 1 1 763 763 SER CB C 763 65.228 65.228 64.897 0.331 25871 1507 1 3 . 1 1 763 763 SER H H 763 9.708 9.708 8.306 1.402 25871 1508 1 3 . 1 1 764 764 GLY N N 764 117.320 117.320 112.043 5.277 25871 1509 1 3 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.579 0.180 25871 1510 1 3 . 1 1 764 764 GLY H H 764 11.185 11.185 9.543 1.642 25871 1511 1 3 . 1 1 765 765 THR N N 765 110.392 110.392 110.836 -0.444 25871 1512 1 3 . 1 1 765 765 THR HA H 765 5.197 5.197 5.337 -0.140 25871 1513 1 3 . 1 1 765 765 THR CA C 765 59.125 59.125 60.266 -1.141 25871 1514 1 3 . 1 1 765 765 THR CB C 765 73.022 73.022 72.290 0.732 25871 1515 1 3 . 1 1 765 765 THR H H 765 7.972 7.972 7.863 0.109 25871 1516 1 3 . 1 1 766 766 LEU N N 766 117.658 117.658 118.466 -0.808 25871 1517 1 3 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.773 0.051 25871 1518 1 3 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.022 -0.270 25871 1519 1 3 . 1 1 766 766 LEU CB C 766 45.213 45.213 47.019 -1.806 25871 1520 1 3 . 1 1 766 766 LEU H H 766 8.589 8.589 8.375 0.214 25871 1521 1 3 . 1 1 767 767 GLY N N 767 108.644 108.644 107.437 1.207 25871 1522 1 3 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.765 0.171 25871 1523 1 3 . 1 1 767 767 GLY H H 767 8.601 8.601 8.563 0.038 25871 1524 1 3 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.421 -0.140 25871 1525 1 3 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.284 1.589 25871 1526 1 3 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.157 0.034 25871 1527 1 3 . 1 1 769 769 GLU N N 769 115.170 115.170 119.799 -4.629 25871 1528 1 3 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.843 0.089 25871 1529 1 3 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.547 0.226 25871 1530 1 3 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.195 -0.367 25871 1531 1 3 . 1 1 769 769 GLU H H 769 8.649 8.649 8.815 -0.166 25871 1532 1 3 . 1 1 770 770 GLU N N 770 121.294 121.294 120.920 0.374 25871 1533 1 3 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.218 -0.105 25871 1534 1 3 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.293 0.325 25871 1535 1 3 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.118 1.185 25871 1536 1 3 . 1 1 770 770 GLU H H 770 7.846 7.846 8.124 -0.278 25871 1537 1 3 . 1 1 771 771 PHE N N 771 119.292 119.292 118.596 0.696 25871 1538 1 3 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.127 0.115 25871 1539 1 3 . 1 1 771 771 PHE CA C 771 59.104 59.104 60.091 -0.987 25871 1540 1 3 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.861 -0.135 25871 1541 1 3 . 1 1 771 771 PHE H H 771 8.876 8.876 8.444 0.432 25871 1542 1 3 . 1 1 772 772 LYS N N 772 120.139 120.139 120.340 -0.201 25871 1543 1 3 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.968 -0.792 25871 1544 1 3 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.398 1.087 25871 1545 1 3 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.273 -0.589 25871 1546 1 3 . 1 1 772 772 LYS H H 772 8.404 8.404 7.599 0.805 25871 1547 1 3 . 1 1 773 773 ALA N N 773 118.856 118.856 121.799 -2.943 25871 1548 1 3 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.175 -0.383 25871 1549 1 3 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.353 0.614 25871 1550 1 3 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.346 -0.400 25871 1551 1 3 . 1 1 773 773 ALA H H 773 7.180 7.180 8.086 -0.906 25871 1552 1 3 . 1 1 774 774 CYS N N 774 121.600 121.600 117.048 4.552 25871 1553 1 3 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.915 0.271 25871 1554 1 3 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.605 -0.026 25871 1555 1 3 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.686 -0.656 25871 1556 1 3 . 1 1 774 774 CYS H H 774 7.731 7.731 7.696 0.035 25871 1557 1 3 . 1 1 775 775 LEU N N 775 120.029 120.029 120.220 -0.191 25871 1558 1 3 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.591 0.248 25871 1559 1 3 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.418 0.931 25871 1560 1 3 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.369 -0.841 25871 1561 1 3 . 1 1 775 775 LEU H H 775 8.353 8.353 6.985 1.368 25871 1562 1 3 . 1 1 776 776 ILE N N 776 121.900 121.900 118.179 3.721 25871 1563 1 3 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.081 0.148 25871 1564 1 3 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.388 1.136 25871 1565 1 3 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.524 0.737 25871 1566 1 3 . 1 1 776 776 ILE H H 776 8.405 8.405 7.926 0.479 25871 1567 1 3 . 1 1 777 777 SER N N 777 119.490 119.490 114.531 4.959 25871 1568 1 3 . 1 1 777 777 SER HA H 777 4.435 4.435 4.298 0.137 25871 1569 1 3 . 1 1 777 777 SER CA C 777 61.843 61.843 61.240 0.603 25871 1570 1 3 . 1 1 777 777 SER CB C 777 62.953 62.953 63.078 -0.124 25871 1571 1 3 . 1 1 777 777 SER H H 777 8.144 8.144 7.657 0.487 25871 1572 1 3 . 1 1 778 778 LEU N N 778 122.142 122.142 118.564 3.578 25871 1573 1 3 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.471 0.171 25871 1574 1 3 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.222 -0.145 25871 1575 1 3 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.874 -0.254 25871 1576 1 3 . 1 1 778 778 LEU H H 778 7.644 7.644 7.707 -0.063 25871 1577 1 3 . 1 1 779 779 GLY N N 779 106.613 106.613 106.135 0.478 25871 1578 1 3 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.567 0.583 25871 1579 1 3 . 1 1 779 779 GLY H H 779 7.982 7.982 7.601 0.381 25871 1580 1 3 . 1 1 780 780 TYR N N 780 121.620 121.620 119.216 2.404 25871 1581 1 3 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.532 -0.367 25871 1582 1 3 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.075 2.298 25871 1583 1 3 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.621 -1.227 25871 1584 1 3 . 1 1 780 780 TYR H H 780 8.174 8.174 7.738 0.436 25871 1585 1 3 . 1 1 781 781 ASP N N 781 124.225 124.225 125.744 -1.519 25871 1586 1 3 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.768 -0.079 25871 1587 1 3 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.674 -0.109 25871 1588 1 3 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.389 0.727 25871 1589 1 3 . 1 1 781 781 ASP H H 781 8.650 8.650 8.899 -0.249 25871 1590 1 3 . 1 1 782 782 ILE N N 782 123.492 123.492 120.331 3.161 25871 1591 1 3 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.293 -0.044 25871 1592 1 3 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.453 -0.963 25871 1593 1 3 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.894 0.531 25871 1594 1 3 . 1 1 782 782 ILE H H 782 7.300 7.300 7.674 -0.374 25871 1595 1 3 . 1 1 783 783 GLY N N 783 113.404 113.404 113.274 0.130 25871 1596 1 3 . 1 1 783 783 GLY CA C 783 44.630 44.630 45.124 -0.494 25871 1597 1 3 . 1 1 783 783 GLY H H 783 8.345 8.345 9.168 -0.823 25871 1598 1 3 . 1 1 784 784 ASN N N 784 119.115 119.115 118.087 1.028 25871 1599 1 3 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.329 0.599 25871 1600 1 3 . 1 1 784 784 ASN CA C 784 52.055 52.055 54.177 -2.122 25871 1601 1 3 . 1 1 784 784 ASN CB C 784 37.467 37.467 38.251 -0.784 25871 1602 1 3 . 1 1 784 784 ASN H H 784 8.476 8.476 8.516 -0.040 25871 1603 1 3 . 1 1 785 785 ASP N N 785 119.675 119.675 119.182 0.493 25871 1604 1 3 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.795 0.025 25871 1605 1 3 . 1 1 785 785 ASP CA C 785 52.365 52.365 52.700 -0.335 25871 1606 1 3 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.264 -1.528 25871 1607 1 3 . 1 1 785 785 ASP H H 785 8.081 8.081 8.264 -0.183 25871 1608 1 3 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.327 -0.021 25871 1609 1 3 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.057 1.156 25871 1610 1 3 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.059 -0.080 25871 1611 1 3 . 1 1 787 787 GLN N N 787 118.154 118.154 118.866 -0.712 25871 1612 1 3 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.299 -0.121 25871 1613 1 3 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.529 0.904 25871 1614 1 3 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.548 0.120 25871 1615 1 3 . 1 1 787 787 GLN H H 787 8.413 8.413 8.612 -0.199 25871 1616 1 3 . 1 1 788 788 GLY N N 788 113.343 113.343 109.800 3.543 25871 1617 1 3 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.669 0.782 25871 1618 1 3 . 1 1 788 788 GLY H H 788 8.644 8.644 8.479 0.165 25871 1619 1 3 . 1 1 789 789 GLU N N 789 121.232 121.232 121.897 -0.665 25871 1620 1 3 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.131 0.030 25871 1621 1 3 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.906 -0.473 25871 1622 1 3 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.576 0.065 25871 1623 1 3 . 1 1 789 789 GLU H H 789 8.539 8.539 8.463 0.076 25871 1624 1 3 . 1 1 790 790 ALA N N 790 122.805 122.805 121.080 1.725 25871 1625 1 3 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.148 0.125 25871 1626 1 3 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.038 -0.089 25871 1627 1 3 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.410 -0.509 25871 1628 1 3 . 1 1 790 790 ALA H H 790 8.035 8.035 7.548 0.487 25871 1629 1 3 . 1 1 791 791 GLU N N 791 122.504 122.504 117.189 5.315 25871 1630 1 3 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.176 0.573 25871 1631 1 3 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.740 0.727 25871 1632 1 3 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.833 -1.254 25871 1633 1 3 . 1 1 791 791 GLU H H 791 8.309 8.309 7.719 0.590 25871 1634 1 3 . 1 1 792 792 PHE N N 792 119.966 119.966 122.351 -2.385 25871 1635 1 3 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.199 -0.001 25871 1636 1 3 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.782 0.837 25871 1637 1 3 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.052 -0.587 25871 1638 1 3 . 1 1 792 792 PHE H H 792 8.835 8.835 8.607 0.228 25871 1639 1 3 . 1 1 793 793 ALA N N 793 119.978 119.978 121.730 -1.752 25871 1640 1 3 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.565 0.341 25871 1641 1 3 . 1 1 793 793 ALA CA C 793 55.020 55.020 54.960 0.060 25871 1642 1 3 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.077 -0.441 25871 1643 1 3 . 1 1 793 793 ALA H H 793 8.147 8.147 8.298 -0.151 25871 1644 1 3 . 1 1 794 794 ARG N N 794 121.286 121.286 117.487 3.799 25871 1645 1 3 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.033 -0.096 25871 1646 1 3 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.622 1.014 25871 1647 1 3 . 1 1 794 794 ARG CB C 794 30.257 30.257 30.157 0.100 25871 1648 1 3 . 1 1 794 794 ARG H H 794 7.953 7.953 7.211 0.742 25871 1649 1 3 . 1 1 795 795 ILE N N 795 121.594 121.594 120.607 0.987 25871 1650 1 3 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.495 -0.184 25871 1651 1 3 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.974 1.202 25871 1652 1 3 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.976 0.358 25871 1653 1 3 . 1 1 795 795 ILE H H 795 8.091 8.091 7.494 0.597 25871 1654 1 3 . 1 1 796 796 MET N N 796 118.593 118.593 117.336 1.257 25871 1655 1 3 . 1 1 796 796 MET HA H 796 4.266 4.266 4.064 0.202 25871 1656 1 3 . 1 1 796 796 MET CA C 796 56.204 56.204 59.132 -2.928 25871 1657 1 3 . 1 1 796 796 MET CB C 796 29.453 29.453 31.771 -2.318 25871 1658 1 3 . 1 1 796 796 MET H H 796 8.543 8.543 8.225 0.318 25871 1659 1 3 . 1 1 797 797 SER N N 797 114.792 114.792 114.159 0.633 25871 1660 1 3 . 1 1 797 797 SER HA H 797 4.131 4.131 4.264 -0.133 25871 1661 1 3 . 1 1 797 797 SER CA C 797 61.233 61.233 61.242 -0.009 25871 1662 1 3 . 1 1 797 797 SER CB C 797 63.017 63.017 62.990 0.027 25871 1663 1 3 . 1 1 797 797 SER H H 797 7.740 7.740 7.600 0.140 25871 1664 1 3 . 1 1 798 798 ILE N N 798 121.041 121.041 119.392 1.649 25871 1665 1 3 . 1 1 798 798 ILE HA H 798 3.869 3.869 4.083 -0.214 25871 1666 1 3 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.335 0.604 25871 1667 1 3 . 1 1 798 798 ILE CB C 798 38.891 38.891 39.020 -0.129 25871 1668 1 3 . 1 1 798 798 ILE H H 798 7.352 7.352 7.584 -0.232 25871 1669 1 3 . 1 1 799 799 VAL N N 799 110.418 110.418 112.142 -1.724 25871 1670 1 3 . 1 1 799 799 VAL HA H 799 4.211 4.211 3.988 0.223 25871 1671 1 3 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.281 -0.097 25871 1672 1 3 . 1 1 799 799 VAL CB C 799 32.410 32.410 31.960 0.449 25871 1673 1 3 . 1 1 799 799 VAL H H 799 7.806 7.806 7.871 -0.065 25871 1674 1 3 . 1 1 800 800 ASP N N 800 119.703 119.703 119.635 0.068 25871 1675 1 3 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.039 0.218 25871 1676 1 3 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.941 -0.206 25871 1677 1 3 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.583 -0.249 25871 1678 1 3 . 1 1 800 800 ASP H H 800 8.124 8.124 7.590 0.534 25871 1679 1 3 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.502 -0.142 25871 1680 1 3 . 1 1 801 801 PRO CA C 801 65.035 65.035 63.992 1.043 25871 1681 1 3 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.245 -0.348 25871 1682 1 3 . 1 1 802 802 ASN N N 802 115.156 115.156 117.568 -2.412 25871 1683 1 3 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.651 0.128 25871 1684 1 3 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.404 -0.176 25871 1685 1 3 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.525 -0.311 25871 1686 1 3 . 1 1 802 802 ASN H H 802 8.967 8.967 7.847 1.120 25871 1687 1 3 . 1 1 803 803 ARG N N 803 117.568 117.568 115.996 1.572 25871 1688 1 3 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.090 -0.241 25871 1689 1 3 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.633 0.343 25871 1690 1 3 . 1 1 803 803 ARG CB C 803 26.440 26.440 27.010 -0.570 25871 1691 1 3 . 1 1 803 803 ARG H H 803 8.013 8.013 7.807 0.206 25871 1692 1 3 . 1 1 804 804 LEU N N 804 122.899 122.899 119.969 2.930 25871 1693 1 3 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.179 0.033 25871 1694 1 3 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.834 0.327 25871 1695 1 3 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.368 0.520 25871 1696 1 3 . 1 1 804 804 LEU H H 804 10.338 10.338 8.806 1.532 25871 1697 1 3 . 1 1 805 805 GLY N N 805 110.909 110.909 106.500 4.409 25871 1698 1 3 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.555 -0.274 25871 1699 1 3 . 1 1 805 805 GLY H H 805 10.955 10.955 9.126 1.829 25871 1700 1 3 . 1 1 806 806 VAL N N 806 111.683 111.683 113.373 -1.690 25871 1701 1 3 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.154 -0.571 25871 1702 1 3 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.502 -0.087 25871 1703 1 3 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.023 1.280 25871 1704 1 3 . 1 1 806 806 VAL H H 806 6.806 6.806 7.474 -0.668 25871 1705 1 3 . 1 1 807 807 VAL N N 807 123.649 123.649 119.598 4.051 25871 1706 1 3 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.409 -0.223 25871 1707 1 3 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.346 1.334 25871 1708 1 3 . 1 1 807 807 VAL CB C 807 32.903 32.903 34.689 -1.786 25871 1709 1 3 . 1 1 807 807 VAL H H 807 9.156 9.156 8.859 0.297 25871 1710 1 3 . 1 1 808 808 THR N N 808 116.404 116.404 118.281 -1.877 25871 1711 1 3 . 1 1 808 808 THR HA H 808 4.782 4.782 4.776 0.006 25871 1712 1 3 . 1 1 808 808 THR CA C 808 62.526 62.526 59.573 2.953 25871 1713 1 3 . 1 1 808 808 THR CB C 808 69.707 69.707 71.180 -1.473 25871 1714 1 3 . 1 1 808 808 THR H H 808 7.948 7.948 8.173 -0.225 25871 1715 1 3 . 1 1 809 809 PHE N N 809 121.514 121.514 123.193 -1.679 25871 1716 1 3 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.432 -0.930 25871 1717 1 3 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.422 -0.644 25871 1718 1 3 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.924 -0.489 25871 1719 1 3 . 1 1 809 809 PHE H H 809 8.528 8.528 8.088 0.440 25871 1720 1 3 . 1 1 810 810 GLN N N 810 116.869 116.869 118.463 -1.594 25871 1721 1 3 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.705 -0.084 25871 1722 1 3 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.910 0.638 25871 1723 1 3 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.920 0.477 25871 1724 1 3 . 1 1 810 810 GLN H H 810 8.638 8.638 8.312 0.326 25871 1725 1 3 . 1 1 811 811 ALA N N 811 121.318 121.318 122.849 -1.531 25871 1726 1 3 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.962 0.186 25871 1727 1 3 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.584 0.506 25871 1728 1 3 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.599 0.641 25871 1729 1 3 . 1 1 811 811 ALA H H 811 7.795 7.795 7.177 0.618 25871 1730 1 3 . 1 1 812 812 PHE N N 812 119.498 119.498 116.455 3.043 25871 1731 1 3 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.762 0.415 25871 1732 1 3 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.288 1.210 25871 1733 1 3 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.582 0.444 25871 1734 1 3 . 1 1 812 812 PHE H H 812 8.093 8.093 7.655 0.438 25871 1735 1 3 . 1 1 813 813 ILE N N 813 119.554 119.554 118.000 1.554 25871 1736 1 3 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.690 0.455 25871 1737 1 3 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.693 -0.517 25871 1738 1 3 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.430 0.360 25871 1739 1 3 . 1 1 813 813 ILE H H 813 8.316 8.316 6.481 1.835 25871 1740 1 3 . 1 1 814 814 ASP N N 814 123.772 123.772 120.750 3.022 25871 1741 1 3 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.196 0.044 25871 1742 1 3 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.511 0.392 25871 1743 1 3 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.724 -0.482 25871 1744 1 3 . 1 1 814 814 ASP H H 814 8.434 8.434 7.389 1.045 25871 1745 1 3 . 1 1 815 815 PHE N N 815 121.079 121.079 115.779 5.300 25871 1746 1 3 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.472 -0.299 25871 1747 1 3 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.889 2.236 25871 1748 1 3 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.266 1.026 25871 1749 1 3 . 1 1 815 815 PHE H H 815 7.904 7.904 6.995 0.909 25871 1750 1 3 . 1 1 816 816 MET N N 816 117.231 117.231 120.532 -3.301 25871 1751 1 3 . 1 1 816 816 MET HA H 816 3.864 3.864 4.314 -0.451 25871 1752 1 3 . 1 1 816 816 MET CA C 816 55.934 55.934 57.406 -1.472 25871 1753 1 3 . 1 1 816 816 MET CB C 816 30.451 30.451 31.561 -1.110 25871 1754 1 3 . 1 1 816 816 MET H H 816 8.270 8.270 7.302 0.968 25871 1755 1 3 . 1 1 817 817 SER N N 817 114.308 114.308 115.141 -0.833 25871 1756 1 3 . 1 1 817 817 SER HA H 817 4.209 4.209 4.165 0.044 25871 1757 1 3 . 1 1 817 817 SER CA C 817 60.410 60.410 61.057 -0.647 25871 1758 1 3 . 1 1 817 817 SER CB C 817 63.328 63.328 62.806 0.522 25871 1759 1 3 . 1 1 817 817 SER H H 817 8.100 8.100 8.030 0.070 25871 1760 1 3 . 1 1 818 818 ARG N N 818 121.459 121.459 118.688 2.771 25871 1761 1 3 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.190 -0.026 25871 1762 1 3 . 1 1 818 818 ARG CA C 818 57.468 57.468 57.795 -0.327 25871 1763 1 3 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.121 0.264 25871 1764 1 3 . 1 1 818 818 ARG H H 818 7.329 7.329 7.696 -0.367 25871 1765 1 3 . 1 1 819 819 GLU N N 819 119.944 119.944 117.494 2.450 25871 1766 1 3 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.262 -0.098 25871 1767 1 3 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.370 -0.902 25871 1768 1 3 . 1 1 819 819 GLU CB C 819 30.526 30.526 28.981 1.545 25871 1769 1 3 . 1 1 819 819 GLU H H 819 8.059 8.059 7.731 0.328 25871 1770 1 3 . 1 1 820 820 THR N N 820 112.658 112.658 115.499 -2.841 25871 1771 1 3 . 1 1 820 820 THR HA H 820 4.309 4.309 4.038 0.271 25871 1772 1 3 . 1 1 820 820 THR CA C 820 62.191 62.191 65.121 -2.930 25871 1773 1 3 . 1 1 820 820 THR CB C 820 69.877 69.877 69.204 0.673 25871 1774 1 3 . 1 1 820 820 THR H H 820 7.789 7.789 7.648 0.141 25871 1775 1 3 . 1 1 821 821 ALA N N 821 126.145 126.145 122.534 3.611 25871 1776 1 3 . 1 1 821 821 ALA HA H 821 4.332 4.332 3.971 0.361 25871 1777 1 3 . 1 1 821 821 ALA CA C 821 52.816 52.816 53.018 -0.202 25871 1778 1 3 . 1 1 821 821 ALA CB C 821 19.459 19.459 17.481 1.978 25871 1779 1 3 . 1 1 821 821 ALA H H 821 8.003 8.003 7.606 0.397 25871 1780 1 3 . 1 1 822 822 ASP N N 822 120.003 120.003 119.229 0.774 25871 1781 1 3 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.818 -0.176 25871 1782 1 3 . 1 1 822 822 ASP CA C 822 54.439 54.439 54.056 0.383 25871 1783 1 3 . 1 1 822 822 ASP CB C 822 40.866 40.866 42.665 -1.799 25871 1784 1 3 . 1 1 822 822 ASP H H 822 8.330 8.330 7.939 0.391 25871 1785 1 3 . 1 1 823 823 THR N N 823 114.181 114.181 116.400 -2.219 25871 1786 1 3 . 1 1 823 823 THR HA H 823 4.304 4.304 4.458 -0.154 25871 1787 1 3 . 1 1 823 823 THR CA C 823 62.284 62.284 61.701 0.583 25871 1788 1 3 . 1 1 823 823 THR CB C 823 69.738 69.738 69.607 0.131 25871 1789 1 3 . 1 1 823 823 THR H H 823 8.093 8.093 8.202 -0.109 25871 1790 1 3 . 1 1 824 824 ASP N N 824 123.285 123.285 123.245 0.040 25871 1791 1 3 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.604 0.047 25871 1792 1 3 . 1 1 824 824 ASP CA C 824 54.595 54.595 54.879 -0.284 25871 1793 1 3 . 1 1 824 824 ASP CB C 824 41.145 41.145 42.067 -0.922 25871 1794 1 3 . 1 1 824 824 ASP H H 824 8.426 8.426 7.988 0.438 25871 1795 1 3 . 1 1 825 825 THR N N 825 114.970 114.970 114.965 0.005 25871 1796 1 3 . 1 1 825 825 THR HA H 825 4.313 4.313 4.420 -0.107 25871 1797 1 3 . 1 1 825 825 THR CA C 825 62.329 62.329 62.010 0.319 25871 1798 1 3 . 1 1 825 825 THR CB C 825 69.541 69.541 70.248 -0.707 25871 1799 1 3 . 1 1 825 825 THR H H 825 8.157 8.157 8.122 0.035 25871 1800 1 3 . 1 1 826 826 ALA N N 826 124.991 124.991 124.732 0.259 25871 1801 1 3 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.183 0.018 25871 1802 1 3 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.776 -0.303 25871 1803 1 3 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.666 0.030 25871 1804 1 3 . 1 1 826 826 ALA H H 826 8.374 8.374 8.424 -0.050 25871 1805 1 3 . 1 1 827 827 ASP N N 827 117.795 117.795 118.736 -0.941 25871 1806 1 3 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.253 0.209 25871 1807 1 3 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.904 -1.753 25871 1808 1 3 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.684 0.245 25871 1809 1 3 . 1 1 827 827 ASP H H 827 8.255 8.255 8.492 -0.237 25871 1810 1 3 . 1 1 828 828 GLN N N 828 120.646 120.646 118.290 2.356 25871 1811 1 3 . 1 1 828 828 GLN HA H 828 4.121 4.121 3.996 0.125 25871 1812 1 3 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.572 -0.621 25871 1813 1 3 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.574 0.012 25871 1814 1 3 . 1 1 828 828 GLN H H 828 8.086 8.086 7.681 0.405 25871 1815 1 3 . 1 1 829 829 VAL N N 829 120.933 120.933 119.450 1.483 25871 1816 1 3 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.706 -0.155 25871 1817 1 3 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.627 0.694 25871 1818 1 3 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.894 -0.144 25871 1819 1 3 . 1 1 829 829 VAL H H 829 8.048 8.048 7.524 0.524 25871 1820 1 3 . 1 1 830 830 MET N N 830 119.386 119.386 121.484 -2.098 25871 1821 1 3 . 1 1 830 830 MET HA H 830 4.030 4.030 4.493 -0.463 25871 1822 1 3 . 1 1 830 830 MET CA C 830 58.013 58.013 57.973 0.040 25871 1823 1 3 . 1 1 830 830 MET CB C 830 32.110 32.110 32.245 -0.135 25871 1824 1 3 . 1 1 830 830 MET H H 830 8.088 8.088 8.476 -0.388 25871 1825 1 3 . 1 1 831 831 ALA N N 831 121.027 121.027 120.794 0.233 25871 1826 1 3 . 1 1 831 831 ALA HA H 831 4.075 4.075 4.071 0.004 25871 1827 1 3 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.386 -0.767 25871 1828 1 3 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.024 0.102 25871 1829 1 3 . 1 1 831 831 ALA H H 831 7.829 7.829 8.615 -0.786 25871 1830 1 3 . 1 1 832 832 SER N N 832 114.314 114.314 115.332 -1.018 25871 1831 1 3 . 1 1 832 832 SER HA H 832 4.181 4.181 4.090 0.091 25871 1832 1 3 . 1 1 832 832 SER CA C 832 61.039 61.039 61.370 -0.331 25871 1833 1 3 . 1 1 832 832 SER CB C 832 62.671 62.671 62.486 0.185 25871 1834 1 3 . 1 1 832 832 SER H H 832 7.711 7.711 7.429 0.282 25871 1835 1 3 . 1 1 833 833 PHE N N 833 121.898 121.898 121.962 -0.064 25871 1836 1 3 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.149 0.081 25871 1837 1 3 . 1 1 833 833 PHE CA C 833 58.434 58.434 60.259 -1.825 25871 1838 1 3 . 1 1 833 833 PHE CB C 833 38.249 38.249 37.982 0.267 25871 1839 1 3 . 1 1 833 833 PHE H H 833 7.717 7.717 7.267 0.450 25871 1840 1 3 . 1 1 834 834 LYS N N 834 118.752 118.752 119.171 -0.419 25871 1841 1 3 . 1 1 834 834 LYS HA H 834 3.622 3.622 4.122 -0.500 25871 1842 1 3 . 1 1 834 834 LYS CA C 834 59.425 59.425 58.933 0.492 25871 1843 1 3 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.263 -0.079 25871 1844 1 3 . 1 1 834 834 LYS H H 834 7.844 7.844 7.715 0.129 25871 1845 1 3 . 1 1 835 835 ILE N N 835 118.528 118.528 117.623 0.905 25871 1846 1 3 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.870 -0.100 25871 1847 1 3 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.037 -0.318 25871 1848 1 3 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.558 -0.652 25871 1849 1 3 . 1 1 835 835 ILE H H 835 7.311 7.311 7.282 0.029 25871 1850 1 3 . 1 1 836 836 LEU N N 836 121.176 121.176 117.757 3.419 25871 1851 1 3 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.356 -0.366 25871 1852 1 3 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.934 0.232 25871 1853 1 3 . 1 1 836 836 LEU CB C 836 42.496 42.496 42.193 0.303 25871 1854 1 3 . 1 1 836 836 LEU H H 836 7.617 7.617 7.444 0.173 25871 1855 1 3 . 1 1 837 837 ALA N N 837 119.189 119.189 121.100 -1.911 25871 1856 1 3 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.896 -0.972 25871 1857 1 3 . 1 1 837 837 ALA CA C 837 53.417 53.417 50.768 2.649 25871 1858 1 3 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.619 0.773 25871 1859 1 3 . 1 1 837 837 ALA H H 837 8.092 8.092 8.130 -0.038 25871 1860 1 3 . 1 1 838 838 GLY N N 838 106.965 106.965 108.409 -1.444 25871 1861 1 3 . 1 1 838 838 GLY CA C 838 47.029 47.029 46.856 0.173 25871 1862 1 3 . 1 1 838 838 GLY H H 838 7.667 7.667 8.372 -0.705 25871 1863 1 3 . 1 1 839 839 ASP N N 839 122.392 122.392 118.589 3.803 25871 1864 1 3 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.603 -0.086 25871 1865 1 3 . 1 1 839 839 ASP CA C 839 54.581 54.581 54.731 -0.150 25871 1866 1 3 . 1 1 839 839 ASP CB C 839 40.584 40.584 40.879 -0.295 25871 1867 1 3 . 1 1 839 839 ASP H H 839 8.703 8.703 8.428 0.275 25871 1868 1 3 . 1 1 840 840 LYS N N 840 117.603 117.603 118.540 -0.937 25871 1869 1 3 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.644 -0.312 25871 1870 1 3 . 1 1 840 840 LYS CA C 840 55.967 55.967 55.164 0.802 25871 1871 1 3 . 1 1 840 840 LYS CB C 840 33.751 33.751 34.849 -1.098 25871 1872 1 3 . 1 1 840 840 LYS H H 840 7.592 7.592 7.718 -0.126 25871 1873 1 3 . 1 1 841 841 ASN N N 841 116.654 116.654 114.909 1.745 25871 1874 1 3 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.922 -0.280 25871 1875 1 3 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.069 0.626 25871 1876 1 3 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.525 -0.269 25871 1877 1 3 . 1 1 841 841 ASN H H 841 8.689 8.689 8.782 -0.093 25871 1878 1 3 . 1 1 842 842 TYR N N 842 112.231 112.231 115.463 -3.232 25871 1879 1 3 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.925 0.088 25871 1880 1 3 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.265 -2.132 25871 1881 1 3 . 1 1 842 842 TYR CB C 842 40.628 40.628 40.221 0.407 25871 1882 1 3 . 1 1 842 842 TYR H H 842 6.638 6.638 7.373 -0.735 25871 1883 1 3 . 1 1 843 843 ILE N N 843 115.455 115.455 119.852 -4.397 25871 1884 1 3 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.291 0.509 25871 1885 1 3 . 1 1 843 843 ILE CA C 843 59.462 59.462 59.059 0.403 25871 1886 1 3 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.878 0.591 25871 1887 1 3 . 1 1 843 843 ILE H H 843 8.626 8.626 9.194 -0.568 25871 1888 1 3 . 1 1 844 844 THR N N 844 117.140 117.140 116.251 0.889 25871 1889 1 3 . 1 1 844 844 THR HA H 844 5.393 5.393 5.131 0.262 25871 1890 1 3 . 1 1 844 844 THR CA C 844 60.380 60.380 60.108 0.272 25871 1891 1 3 . 1 1 844 844 THR CB C 844 71.475 71.475 70.687 0.788 25871 1892 1 3 . 1 1 844 844 THR H H 844 9.329 9.329 8.163 1.166 25871 1893 1 3 . 1 1 845 845 MET N N 845 119.879 119.879 119.646 0.233 25871 1894 1 3 . 1 1 845 845 MET HA H 845 3.852 3.852 4.038 -0.186 25871 1895 1 3 . 1 1 845 845 MET CA C 845 60.389 60.389 60.601 -0.212 25871 1896 1 3 . 1 1 845 845 MET CB C 845 33.110 33.110 32.196 0.914 25871 1897 1 3 . 1 1 845 845 MET H H 845 8.555 8.555 8.669 -0.114 25871 1898 1 3 . 1 1 846 846 ASP N N 846 116.360 116.360 118.987 -2.627 25871 1899 1 3 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.397 -0.087 25871 1900 1 3 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.080 0.409 25871 1901 1 3 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.792 -0.120 25871 1902 1 3 . 1 1 846 846 ASP H H 846 8.375 8.375 8.433 -0.058 25871 1903 1 3 . 1 1 847 847 GLU N N 847 120.575 120.575 119.060 1.515 25871 1904 1 3 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.048 -0.162 25871 1905 1 3 . 1 1 847 847 GLU CA C 847 59.754 59.754 59.000 0.754 25871 1906 1 3 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.875 -0.118 25871 1907 1 3 . 1 1 847 847 GLU H H 847 7.852 7.852 7.594 0.258 25871 1908 1 3 . 1 1 848 848 LEU N N 848 118.753 118.753 118.067 0.686 25871 1909 1 3 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.287 -0.427 25871 1910 1 3 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.039 0.644 25871 1911 1 3 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.633 0.890 25871 1912 1 3 . 1 1 848 848 LEU H H 848 7.834 7.834 8.164 -0.330 25871 1913 1 3 . 1 1 849 849 ARG N N 849 113.976 113.976 118.497 -4.521 25871 1914 1 3 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.125 -0.165 25871 1915 1 3 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.150 0.446 25871 1916 1 3 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.076 0.069 25871 1917 1 3 . 1 1 849 849 ARG H H 849 8.055 8.055 7.712 0.343 25871 1918 1 3 . 1 1 850 850 ARG N N 850 118.184 118.184 118.107 0.077 25871 1919 1 3 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.190 0.041 25871 1920 1 3 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.584 -0.205 25871 1921 1 3 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.754 1.359 25871 1922 1 3 . 1 1 850 850 ARG H H 850 7.739 7.739 7.594 0.145 25871 1923 1 3 . 1 1 851 851 GLU N N 851 115.550 115.550 119.083 -3.533 25871 1924 1 3 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.264 0.116 25871 1925 1 3 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.105 -1.111 25871 1926 1 3 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.686 0.999 25871 1927 1 3 . 1 1 851 851 GLU H H 851 7.591 7.591 7.674 -0.083 25871 1928 1 3 . 1 1 852 852 LEU N N 852 119.170 119.170 118.870 0.300 25871 1929 1 3 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.876 0.050 25871 1930 1 3 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.115 0.175 25871 1931 1 3 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.846 0.792 25871 1932 1 3 . 1 1 852 852 LEU H H 852 7.891 7.891 7.562 0.329 25871 1933 1 3 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.520 -0.215 25871 1934 1 3 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.479 3.923 25871 1935 1 3 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.299 0.025 25871 1936 1 3 . 1 1 855 855 ASP N N 855 114.853 114.853 118.346 -3.493 25871 1937 1 3 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.330 0.049 25871 1938 1 3 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.350 -0.292 25871 1939 1 3 . 1 1 855 855 ASP CB C 855 39.239 39.239 39.986 -0.747 25871 1940 1 3 . 1 1 855 855 ASP H H 855 8.796 8.796 8.606 0.190 25871 1941 1 3 . 1 1 856 856 GLN N N 856 121.513 121.513 118.702 2.811 25871 1942 1 3 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.926 0.314 25871 1943 1 3 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.503 -0.119 25871 1944 1 3 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.828 1.515 25871 1945 1 3 . 1 1 856 856 GLN H H 856 7.471 7.471 8.400 -0.929 25871 1946 1 3 . 1 1 857 857 ALA N N 857 122.821 122.821 121.611 1.210 25871 1947 1 3 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.046 -0.216 25871 1948 1 3 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.775 0.630 25871 1949 1 3 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.293 -0.309 25871 1950 1 3 . 1 1 857 857 ALA H H 857 8.889 8.889 8.155 0.734 25871 1951 1 3 . 1 1 858 858 GLU N N 858 114.091 114.091 119.401 -5.310 25871 1952 1 3 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.039 0.017 25871 1953 1 3 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.587 -0.806 25871 1954 1 3 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.619 -0.952 25871 1955 1 3 . 1 1 858 858 GLU H H 858 8.143 8.143 7.741 0.402 25871 1956 1 3 . 1 1 859 859 TYR N N 859 120.670 120.670 119.037 1.633 25871 1957 1 3 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.275 -0.148 25871 1958 1 3 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.075 0.072 25871 1959 1 3 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.868 0.870 25871 1960 1 3 . 1 1 859 859 TYR H H 859 7.708 7.708 8.783 -1.075 25871 1961 1 3 . 1 1 860 860 CYS N N 860 115.848 115.848 119.387 -3.539 25871 1962 1 3 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.026 0.162 25871 1963 1 3 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.166 0.272 25871 1964 1 3 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.428 0.037 25871 1965 1 3 . 1 1 860 860 CYS H H 860 8.119 8.119 7.922 0.197 25871 1966 1 3 . 1 1 861 861 ILE N N 861 120.124 120.124 120.653 -0.529 25871 1967 1 3 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.533 -0.169 25871 1968 1 3 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.559 0.173 25871 1969 1 3 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.610 1.112 25871 1970 1 3 . 1 1 861 861 ILE H H 861 8.451 8.451 8.250 0.201 25871 1971 1 3 . 1 1 862 862 ALA N N 862 116.691 116.691 119.817 -3.126 25871 1972 1 3 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.043 0.207 25871 1973 1 3 . 1 1 862 862 ALA CA C 862 53.428 53.428 54.010 -0.582 25871 1974 1 3 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.455 0.620 25871 1975 1 3 . 1 1 862 862 ALA H H 862 7.304 7.304 8.040 -0.736 25871 1976 1 3 . 1 1 863 863 ARG N N 863 117.259 117.259 115.477 1.782 25871 1977 1 3 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.277 0.015 25871 1978 1 3 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.304 1.135 25871 1979 1 3 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.269 0.189 25871 1980 1 3 . 1 1 863 863 ARG H H 863 7.357 7.357 7.359 -0.002 25871 1981 1 3 . 1 1 864 864 MET N N 864 117.570 117.570 118.640 -1.070 25871 1982 1 3 . 1 1 864 864 MET HA H 864 4.598 4.598 3.976 0.622 25871 1983 1 3 . 1 1 864 864 MET CA C 864 55.180 55.180 56.585 -1.405 25871 1984 1 3 . 1 1 864 864 MET CB C 864 37.428 37.428 33.781 3.647 25871 1985 1 3 . 1 1 864 864 MET H H 864 7.147 7.147 7.523 -0.376 25871 1986 1 3 . 1 1 865 865 ALA N N 865 124.616 124.616 123.966 0.650 25871 1987 1 3 . 1 1 865 865 ALA HA H 865 3.933 3.933 5.014 -1.081 25871 1988 1 3 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.226 0.054 25871 1989 1 3 . 1 1 865 865 ALA CB C 865 18.649 18.649 19.015 -0.366 25871 1990 1 3 . 1 1 865 865 ALA H H 865 8.548 8.548 8.281 0.267 25871 1991 1 3 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.518 0.001 25871 1992 1 3 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.476 0.345 25871 1993 1 3 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.527 -0.536 25871 1994 1 3 . 1 1 867 867 TYR N N 867 122.454 122.454 122.479 -0.025 25871 1995 1 3 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.645 -0.490 25871 1996 1 3 . 1 1 867 867 TYR CA C 867 56.951 56.951 58.038 -1.087 25871 1997 1 3 . 1 1 867 867 TYR CB C 867 43.347 43.347 40.927 2.420 25871 1998 1 3 . 1 1 867 867 TYR H H 867 8.127 8.127 8.115 0.012 25871 1999 1 3 . 1 1 869 869 GLY N N 869 105.881 105.881 109.500 -3.619 25871 2000 1 3 . 1 1 869 869 GLY CA C 869 45.090 45.090 43.108 1.982 25871 2001 1 3 . 1 1 869 869 GLY H H 869 5.440 5.440 6.364 -0.924 25871 2002 1 3 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.359 0.002 25871 2003 1 3 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.523 0.318 25871 2004 1 3 . 1 1 870 870 PRO CB C 870 31.630 31.630 31.962 -0.332 25871 2005 1 3 . 1 1 871 871 ASP N N 871 116.217 116.217 119.747 -3.530 25871 2006 1 3 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.943 -0.307 25871 2007 1 3 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.697 -0.747 25871 2008 1 3 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.848 -1.698 25871 2009 1 3 . 1 1 871 871 ASP H H 871 9.263 9.263 8.274 0.989 25871 2010 1 3 . 1 1 872 872 SER N N 872 112.352 112.352 115.278 -2.926 25871 2011 1 3 . 1 1 872 872 SER HA H 872 3.530 3.530 4.405 -0.875 25871 2012 1 3 . 1 1 872 872 SER CA C 872 59.184 59.184 58.916 0.268 25871 2013 1 3 . 1 1 872 872 SER CB C 872 63.286 63.286 64.283 -0.997 25871 2014 1 3 . 1 1 872 872 SER H H 872 7.487 7.487 7.602 -0.115 25871 2015 1 3 . 1 1 873 873 VAL N N 873 113.588 113.588 115.003 -1.415 25871 2016 1 3 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.644 0.109 25871 2017 1 3 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.342 -0.274 25871 2018 1 3 . 1 1 873 873 VAL CB C 873 32.917 32.917 32.289 0.628 25871 2019 1 3 . 1 1 873 873 VAL H H 873 6.411 6.411 7.797 -1.386 25871 2020 1 3 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.385 -0.055 25871 2021 1 3 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.938 -0.628 25871 2022 1 3 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.791 -0.168 25871 2023 1 3 . 1 1 875 875 GLY N N 875 112.109 112.109 105.189 6.920 25871 2024 1 3 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.236 1.256 25871 2025 1 3 . 1 1 875 875 GLY H H 875 8.798 8.798 8.193 0.605 25871 2026 1 3 . 1 1 876 876 ALA N N 876 120.267 120.267 124.088 -3.821 25871 2027 1 3 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.352 -1.215 25871 2028 1 3 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.822 2.441 25871 2029 1 3 . 1 1 876 876 ALA CB C 876 20.554 20.554 21.050 -0.496 25871 2030 1 3 . 1 1 876 876 ALA H H 876 7.762 7.762 7.812 -0.050 25871 2031 1 3 . 1 1 877 877 LEU N N 877 125.696 125.696 122.482 3.214 25871 2032 1 3 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.002 -0.198 25871 2033 1 3 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.974 0.318 25871 2034 1 3 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.757 -1.916 25871 2035 1 3 . 1 1 877 877 LEU H H 877 9.598 9.598 9.420 0.178 25871 2036 1 3 . 1 1 878 878 ASP N N 878 119.836 119.836 122.679 -2.843 25871 2037 1 3 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.079 -0.160 25871 2038 1 3 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.883 -0.752 25871 2039 1 3 . 1 1 878 878 ASP CB C 878 40.798 40.798 41.903 -1.105 25871 2040 1 3 . 1 1 878 878 ASP H H 878 9.028 9.028 8.610 0.418 25871 2041 1 3 . 1 1 879 879 TYR N N 879 126.600 126.600 124.832 1.768 25871 2042 1 3 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.265 0.353 25871 2043 1 3 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.820 -0.263 25871 2044 1 3 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.301 -0.777 25871 2045 1 3 . 1 1 879 879 TYR H H 879 7.454 7.454 8.069 -0.615 25871 2046 1 3 . 1 1 880 880 MET N N 880 119.910 119.910 118.236 1.674 25871 2047 1 3 . 1 1 880 880 MET HA H 880 4.619 4.619 3.675 0.944 25871 2048 1 3 . 1 1 880 880 MET CA C 880 56.205 56.205 57.984 -1.779 25871 2049 1 3 . 1 1 880 880 MET CB C 880 32.338 32.338 32.195 0.143 25871 2050 1 3 . 1 1 880 880 MET H H 880 7.620 7.620 7.581 0.039 25871 2051 1 3 . 1 1 881 881 SER N N 881 114.353 114.353 113.904 0.449 25871 2052 1 3 . 1 1 881 881 SER HA H 881 4.501 4.501 4.306 0.196 25871 2053 1 3 . 1 1 881 881 SER CA C 881 58.957 58.957 59.702 -0.745 25871 2054 1 3 . 1 1 881 881 SER CB C 881 64.284 64.284 63.325 0.959 25871 2055 1 3 . 1 1 881 881 SER H H 881 7.721 7.721 8.065 -0.344 25871 2056 1 3 . 1 1 882 882 PHE N N 882 122.746 122.746 124.804 -2.058 25871 2057 1 3 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.659 0.090 25871 2058 1 3 . 1 1 882 882 PHE CA C 882 59.451 59.451 59.932 -0.481 25871 2059 1 3 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.551 1.745 25871 2060 1 3 . 1 1 882 882 PHE H H 882 7.386 7.386 7.594 -0.208 25871 2061 1 3 . 1 1 883 883 SER N N 883 120.214 120.214 114.428 5.786 25871 2062 1 3 . 1 1 883 883 SER HA H 883 4.338 4.338 3.933 0.405 25871 2063 1 3 . 1 1 883 883 SER CA C 883 57.455 57.455 60.791 -3.336 25871 2064 1 3 . 1 1 883 883 SER CB C 883 64.684 64.684 62.883 1.800 25871 2065 1 3 . 1 1 883 883 SER H H 883 7.464 7.464 8.263 -0.799 25871 2066 1 3 . 1 1 884 884 THR N N 884 110.671 110.671 111.084 -0.413 25871 2067 1 3 . 1 1 884 884 THR HA H 884 4.008 4.008 4.419 -0.411 25871 2068 1 3 . 1 1 884 884 THR CA C 884 63.367 63.367 62.035 1.332 25871 2069 1 3 . 1 1 884 884 THR CB C 884 69.088 69.088 70.460 -1.372 25871 2070 1 3 . 1 1 884 884 THR H H 884 7.993 7.993 7.684 0.309 25871 2071 1 3 . 1 1 885 885 ALA N N 885 125.453 125.453 123.931 1.522 25871 2072 1 3 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.747 -0.476 25871 2073 1 3 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.008 0.152 25871 2074 1 3 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.370 -2.061 25871 2075 1 3 . 1 1 885 885 ALA H H 885 7.905 7.905 7.591 0.314 25871 2076 1 3 . 1 1 886 886 LEU N N 886 120.791 120.791 118.956 1.835 25871 2077 1 3 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.613 -1.566 25871 2078 1 3 . 1 1 886 886 LEU CA C 886 55.496 55.496 53.897 1.599 25871 2079 1 3 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.732 -3.393 25871 2080 1 3 . 1 1 886 886 LEU H H 886 8.087 8.087 8.169 -0.082 25871 2081 1 3 . 1 1 887 887 TYR N N 887 121.620 121.620 116.851 4.769 25871 2082 1 3 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.925 -0.522 25871 2083 1 3 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.242 1.552 25871 2084 1 3 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.569 -0.948 25871 2085 1 3 . 1 1 887 887 TYR H H 887 8.272 8.272 8.101 0.171 25871 2086 1 3 . 1 1 888 888 GLY N N 888 112.443 112.443 108.348 4.095 25871 2087 1 3 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.762 0.433 25871 2088 1 3 . 1 1 888 888 GLY H H 888 8.087 8.087 8.220 -0.133 25871 2089 1 3 . 1 1 889 889 GLU N N 889 120.272 120.272 119.580 0.692 25871 2090 1 3 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.252 0.043 25871 2091 1 3 . 1 1 889 889 GLU CA C 889 56.593 56.593 57.664 -1.071 25871 2092 1 3 . 1 1 889 889 GLU CB C 889 30.601 30.601 29.736 0.865 25871 2093 1 3 . 1 1 889 889 GLU H H 889 7.991 7.991 8.360 -0.369 25871 2094 1 3 . 1 1 890 890 SER N N 890 116.330 116.330 115.006 1.324 25871 2095 1 3 . 1 1 890 890 SER HA H 890 4.452 4.452 4.698 -0.246 25871 2096 1 3 . 1 1 890 890 SER CA C 890 58.334 58.334 57.201 1.133 25871 2097 1 3 . 1 1 890 890 SER CB C 890 64.174 64.174 63.445 0.729 25871 2098 1 3 . 1 1 890 890 SER H H 890 8.325 8.325 7.641 0.684 25871 2099 1 3 . 1 1 891 891 ASP N N 891 122.987 122.987 120.973 2.014 25871 2100 1 3 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.587 0.065 25871 2101 1 3 . 1 1 891 891 ASP CA C 891 54.534 54.534 53.632 0.902 25871 2102 1 3 . 1 1 891 891 ASP CB C 891 40.981 40.981 40.906 0.075 25871 2103 1 3 . 1 1 891 891 ASP H H 891 8.387 8.387 8.471 -0.084 25871 2104 1 4 . 1 1 743 743 ILE N N 743 122.085 122.085 126.454 -4.369 25871 2105 1 4 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.053 0.303 25871 2106 1 4 . 1 1 743 743 ILE CA C 743 60.624 60.624 62.041 -1.417 25871 2107 1 4 . 1 1 743 743 ILE CB C 743 39.023 39.023 39.194 -0.171 25871 2108 1 4 . 1 1 743 743 ILE H H 743 8.122 8.122 8.076 0.046 25871 2109 1 4 . 1 1 744 744 SER N N 744 123.378 123.378 121.587 1.791 25871 2110 1 4 . 1 1 744 744 SER HA H 744 4.472 4.472 4.648 -0.176 25871 2111 1 4 . 1 1 744 744 SER CA C 744 57.581 57.581 57.493 0.088 25871 2112 1 4 . 1 1 744 744 SER CB C 744 65.276 65.276 64.164 1.112 25871 2113 1 4 . 1 1 744 744 SER H H 744 8.844 8.844 8.403 0.441 25871 2114 1 4 . 1 1 745 745 GLN N N 745 121.612 121.612 122.825 -1.213 25871 2115 1 4 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.106 -0.128 25871 2116 1 4 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.110 -0.223 25871 2117 1 4 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.182 0.344 25871 2118 1 4 . 1 1 745 745 GLN H H 745 9.035 9.035 8.925 0.110 25871 2119 1 4 . 1 1 746 746 GLU N N 746 118.618 118.618 118.026 0.592 25871 2120 1 4 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.133 -0.099 25871 2121 1 4 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.606 1.691 25871 2122 1 4 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.825 0.119 25871 2123 1 4 . 1 1 746 746 GLU H H 746 8.718 8.718 8.644 0.074 25871 2124 1 4 . 1 1 747 747 GLN N N 747 120.436 120.436 119.913 0.523 25871 2125 1 4 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.275 -0.451 25871 2126 1 4 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.830 -0.326 25871 2127 1 4 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.078 -0.123 25871 2128 1 4 . 1 1 747 747 GLN H H 747 7.821 7.821 7.999 -0.178 25871 2129 1 4 . 1 1 748 748 MET N N 748 119.174 119.174 117.579 1.595 25871 2130 1 4 . 1 1 748 748 MET HA H 748 4.228 4.228 4.516 -0.288 25871 2131 1 4 . 1 1 748 748 MET CA C 748 58.305 58.305 59.219 -0.915 25871 2132 1 4 . 1 1 748 748 MET CB C 748 30.922 30.922 32.191 -1.269 25871 2133 1 4 . 1 1 748 748 MET H H 748 8.477 8.477 8.443 0.034 25871 2134 1 4 . 1 1 749 749 ASN N N 749 117.610 117.610 119.608 -1.998 25871 2135 1 4 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.441 0.064 25871 2136 1 4 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.847 -0.885 25871 2137 1 4 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.337 -0.432 25871 2138 1 4 . 1 1 749 749 ASN H H 749 8.302 8.302 8.008 0.294 25871 2139 1 4 . 1 1 750 750 GLU N N 750 122.737 122.737 120.352 2.385 25871 2140 1 4 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.055 0.191 25871 2141 1 4 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.751 0.775 25871 2142 1 4 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.008 0.401 25871 2143 1 4 . 1 1 750 750 GLU H H 750 7.789 7.789 7.750 0.039 25871 2144 1 4 . 1 1 751 751 PHE N N 751 120.358 120.358 121.474 -1.116 25871 2145 1 4 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.352 0.626 25871 2146 1 4 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.303 -3.660 25871 2147 1 4 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.831 -1.353 25871 2148 1 4 . 1 1 751 751 PHE H H 751 8.772 8.772 8.326 0.446 25871 2149 1 4 . 1 1 752 752 ARG N N 752 120.173 120.173 119.496 0.677 25871 2150 1 4 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.361 -0.214 25871 2151 1 4 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.885 -3.084 25871 2152 1 4 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.167 0.195 25871 2153 1 4 . 1 1 752 752 ARG H H 752 8.990 8.990 8.758 0.232 25871 2154 1 4 . 1 1 753 753 ALA N N 753 120.965 120.965 122.055 -1.090 25871 2155 1 4 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.214 0.041 25871 2156 1 4 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.196 0.229 25871 2157 1 4 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.206 -0.195 25871 2158 1 4 . 1 1 753 753 ALA H H 753 8.136 8.136 8.573 -0.437 25871 2159 1 4 . 1 1 754 754 SER N N 754 115.350 115.350 115.896 -0.546 25871 2160 1 4 . 1 1 754 754 SER HA H 754 4.451 4.451 4.297 0.154 25871 2161 1 4 . 1 1 754 754 SER CA C 754 63.045 63.045 62.779 0.266 25871 2162 1 4 . 1 1 754 754 SER CB C 754 63.111 63.111 63.300 -0.188 25871 2163 1 4 . 1 1 754 754 SER H H 754 8.366 8.366 8.460 -0.094 25871 2164 1 4 . 1 1 755 755 PHE N N 755 121.902 121.902 122.743 -0.841 25871 2165 1 4 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.285 -0.299 25871 2166 1 4 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.262 2.091 25871 2167 1 4 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.178 0.987 25871 2168 1 4 . 1 1 755 755 PHE H H 755 8.498 8.498 8.258 0.240 25871 2169 1 4 . 1 1 756 756 ASN N N 756 114.071 114.071 118.170 -4.099 25871 2170 1 4 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.699 0.831 25871 2171 1 4 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.375 0.429 25871 2172 1 4 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.568 -0.635 25871 2173 1 4 . 1 1 756 756 ASN H H 756 8.722 8.722 8.322 0.400 25871 2174 1 4 . 1 1 757 757 HIS N N 757 119.524 119.524 118.929 0.595 25871 2175 1 4 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.300 -0.178 25871 2176 1 4 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.811 -0.341 25871 2177 1 4 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.260 -0.213 25871 2178 1 4 . 1 1 757 757 HIS H H 757 8.027 8.027 8.138 -0.111 25871 2179 1 4 . 1 1 758 758 PHE N N 758 113.439 113.439 117.544 -4.105 25871 2180 1 4 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.432 -0.325 25871 2181 1 4 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.662 0.406 25871 2182 1 4 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.576 0.412 25871 2183 1 4 . 1 1 758 758 PHE H H 758 7.322 7.322 8.110 -0.788 25871 2184 1 4 . 1 1 759 759 ASP N N 759 121.632 121.632 119.778 1.854 25871 2185 1 4 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.730 -0.114 25871 2186 1 4 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.455 0.153 25871 2187 1 4 . 1 1 759 759 ASP CB C 759 38.681 38.681 38.971 -0.290 25871 2188 1 4 . 1 1 759 759 ASP H H 759 7.439 7.439 8.441 -1.002 25871 2189 1 4 . 1 1 760 760 ARG N N 760 123.429 123.429 122.032 1.397 25871 2190 1 4 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.891 -0.066 25871 2191 1 4 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.227 1.404 25871 2192 1 4 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.011 0.062 25871 2193 1 4 . 1 1 760 760 ARG H H 760 7.797 7.797 7.707 0.090 25871 2194 1 4 . 1 1 761 761 ASP N N 761 115.027 115.027 117.777 -2.750 25871 2195 1 4 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.584 -0.103 25871 2196 1 4 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.811 -1.333 25871 2197 1 4 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.241 -1.741 25871 2198 1 4 . 1 1 761 761 ASP H H 761 8.470 8.470 7.700 0.770 25871 2199 1 4 . 1 1 762 762 HIS N N 762 117.442 117.442 116.404 1.038 25871 2200 1 4 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.371 -0.134 25871 2201 1 4 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.867 -0.374 25871 2202 1 4 . 1 1 762 762 HIS CB C 762 26.581 26.581 27.001 -0.420 25871 2203 1 4 . 1 1 762 762 HIS H H 762 7.716 7.716 7.640 0.076 25871 2204 1 4 . 1 1 763 763 SER N N 763 117.624 117.624 114.885 2.739 25871 2205 1 4 . 1 1 763 763 SER HA H 763 4.441 4.441 4.283 0.158 25871 2206 1 4 . 1 1 763 763 SER CA C 763 59.706 59.706 60.159 -0.453 25871 2207 1 4 . 1 1 763 763 SER CB C 763 65.228 65.228 64.103 1.125 25871 2208 1 4 . 1 1 763 763 SER H H 763 9.708 9.708 8.468 1.240 25871 2209 1 4 . 1 1 764 764 GLY N N 764 117.320 117.320 110.062 7.258 25871 2210 1 4 . 1 1 764 764 GLY CA C 764 45.759 45.759 46.098 -0.339 25871 2211 1 4 . 1 1 764 764 GLY H H 764 11.185 11.185 9.462 1.723 25871 2212 1 4 . 1 1 765 765 THR N N 765 110.392 110.392 111.119 -0.727 25871 2213 1 4 . 1 1 765 765 THR HA H 765 5.197 5.197 5.272 -0.075 25871 2214 1 4 . 1 1 765 765 THR CA C 765 59.125 59.125 60.539 -1.414 25871 2215 1 4 . 1 1 765 765 THR CB C 765 73.022 73.022 72.129 0.893 25871 2216 1 4 . 1 1 765 765 THR H H 765 7.972 7.972 7.559 0.413 25871 2217 1 4 . 1 1 766 766 LEU N N 766 117.658 117.658 118.892 -1.234 25871 2218 1 4 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.751 0.073 25871 2219 1 4 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.140 -0.388 25871 2220 1 4 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.697 -1.484 25871 2221 1 4 . 1 1 766 766 LEU H H 766 8.589 8.589 8.428 0.161 25871 2222 1 4 . 1 1 767 767 GLY N N 767 108.644 108.644 107.381 1.263 25871 2223 1 4 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.768 0.168 25871 2224 1 4 . 1 1 767 767 GLY H H 767 8.601 8.601 8.566 0.035 25871 2225 1 4 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.411 -0.130 25871 2226 1 4 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.405 1.468 25871 2227 1 4 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.166 0.025 25871 2228 1 4 . 1 1 769 769 GLU N N 769 115.170 115.170 119.720 -4.550 25871 2229 1 4 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.869 0.063 25871 2230 1 4 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.606 0.167 25871 2231 1 4 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.161 -0.333 25871 2232 1 4 . 1 1 769 769 GLU H H 769 8.649 8.649 8.827 -0.178 25871 2233 1 4 . 1 1 770 770 GLU N N 770 121.294 121.294 120.964 0.330 25871 2234 1 4 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.208 -0.095 25871 2235 1 4 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.330 0.288 25871 2236 1 4 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.122 1.181 25871 2237 1 4 . 1 1 770 770 GLU H H 770 7.846 7.846 8.154 -0.308 25871 2238 1 4 . 1 1 771 771 PHE N N 771 119.292 119.292 118.636 0.656 25871 2239 1 4 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.104 0.138 25871 2240 1 4 . 1 1 771 771 PHE CA C 771 59.104 59.104 60.023 -0.919 25871 2241 1 4 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.823 -0.097 25871 2242 1 4 . 1 1 771 771 PHE H H 771 8.876 8.876 8.409 0.467 25871 2243 1 4 . 1 1 772 772 LYS N N 772 120.139 120.139 120.365 -0.226 25871 2244 1 4 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.943 -0.767 25871 2245 1 4 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.490 0.995 25871 2246 1 4 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.252 -0.568 25871 2247 1 4 . 1 1 772 772 LYS H H 772 8.404 8.404 7.647 0.757 25871 2248 1 4 . 1 1 773 773 ALA N N 773 118.856 118.856 121.538 -2.682 25871 2249 1 4 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.186 -0.394 25871 2250 1 4 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.309 0.658 25871 2251 1 4 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.352 -0.406 25871 2252 1 4 . 1 1 773 773 ALA H H 773 7.180 7.180 8.073 -0.893 25871 2253 1 4 . 1 1 774 774 CYS N N 774 121.600 121.600 117.911 3.689 25871 2254 1 4 . 1 1 774 774 CYS HA H 774 3.186 3.186 3.027 0.159 25871 2255 1 4 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.480 0.099 25871 2256 1 4 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.656 -0.626 25871 2257 1 4 . 1 1 774 774 CYS H H 774 7.731 7.731 7.513 0.218 25871 2258 1 4 . 1 1 775 775 LEU N N 775 120.029 120.029 120.313 -0.284 25871 2259 1 4 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.558 0.281 25871 2260 1 4 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.499 0.850 25871 2261 1 4 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.421 -0.893 25871 2262 1 4 . 1 1 775 775 LEU H H 775 8.353 8.353 7.144 1.209 25871 2263 1 4 . 1 1 776 776 ILE N N 776 121.900 121.900 119.008 2.892 25871 2264 1 4 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.071 0.158 25871 2265 1 4 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.364 1.159 25871 2266 1 4 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.609 0.652 25871 2267 1 4 . 1 1 776 776 ILE H H 776 8.405 8.405 7.457 0.948 25871 2268 1 4 . 1 1 777 777 SER N N 777 119.490 119.490 114.532 4.958 25871 2269 1 4 . 1 1 777 777 SER HA H 777 4.435 4.435 4.274 0.161 25871 2270 1 4 . 1 1 777 777 SER CA C 777 61.843 61.843 61.200 0.643 25871 2271 1 4 . 1 1 777 777 SER CB C 777 62.953 62.953 63.030 -0.077 25871 2272 1 4 . 1 1 777 777 SER H H 777 8.144 8.144 7.540 0.604 25871 2273 1 4 . 1 1 778 778 LEU N N 778 122.142 122.142 118.676 3.466 25871 2274 1 4 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.515 0.127 25871 2275 1 4 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.286 -0.209 25871 2276 1 4 . 1 1 778 778 LEU CB C 778 42.620 42.620 43.076 -0.456 25871 2277 1 4 . 1 1 778 778 LEU H H 778 7.644 7.644 7.740 -0.096 25871 2278 1 4 . 1 1 779 779 GLY N N 779 106.613 106.613 106.169 0.444 25871 2279 1 4 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.560 0.590 25871 2280 1 4 . 1 1 779 779 GLY H H 779 7.982 7.982 7.580 0.402 25871 2281 1 4 . 1 1 780 780 TYR N N 780 121.620 121.620 119.233 2.387 25871 2282 1 4 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.542 -0.377 25871 2283 1 4 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.144 2.229 25871 2284 1 4 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.630 -1.236 25871 2285 1 4 . 1 1 780 780 TYR H H 780 8.174 8.174 7.749 0.425 25871 2286 1 4 . 1 1 781 781 ASP N N 781 124.225 124.225 125.550 -1.325 25871 2287 1 4 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.754 -0.065 25871 2288 1 4 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.612 -0.047 25871 2289 1 4 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.526 0.589 25871 2290 1 4 . 1 1 781 781 ASP H H 781 8.650 8.650 8.938 -0.288 25871 2291 1 4 . 1 1 782 782 ILE N N 782 123.492 123.492 120.646 2.846 25871 2292 1 4 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.277 -0.028 25871 2293 1 4 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.709 -1.219 25871 2294 1 4 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.889 0.536 25871 2295 1 4 . 1 1 782 782 ILE H H 782 7.300 7.300 7.748 -0.448 25871 2296 1 4 . 1 1 783 783 GLY N N 783 113.404 113.404 114.427 -1.023 25871 2297 1 4 . 1 1 783 783 GLY CA C 783 44.630 44.630 45.075 -0.445 25871 2298 1 4 . 1 1 783 783 GLY H H 783 8.345 8.345 8.925 -0.580 25871 2299 1 4 . 1 1 784 784 ASN N N 784 119.115 119.115 117.298 1.817 25871 2300 1 4 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.272 0.656 25871 2301 1 4 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.995 -1.940 25871 2302 1 4 . 1 1 784 784 ASN CB C 784 37.467 37.467 38.064 -0.597 25871 2303 1 4 . 1 1 784 784 ASN H H 784 8.476 8.476 8.380 0.096 25871 2304 1 4 . 1 1 785 785 ASP N N 785 119.675 119.675 119.124 0.551 25871 2305 1 4 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.809 0.011 25871 2306 1 4 . 1 1 785 785 ASP CA C 785 52.365 52.365 52.640 -0.275 25871 2307 1 4 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.323 -1.587 25871 2308 1 4 . 1 1 785 785 ASP H H 785 8.081 8.081 8.259 -0.178 25871 2309 1 4 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.316 -0.010 25871 2310 1 4 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.083 1.130 25871 2311 1 4 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.070 -0.090 25871 2312 1 4 . 1 1 787 787 GLN N N 787 118.154 118.154 118.830 -0.676 25871 2313 1 4 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.296 -0.118 25871 2314 1 4 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.248 1.185 25871 2315 1 4 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.476 0.192 25871 2316 1 4 . 1 1 787 787 GLN H H 787 8.413 8.413 8.700 -0.287 25871 2317 1 4 . 1 1 788 788 GLY N N 788 113.343 113.343 109.474 3.869 25871 2318 1 4 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.938 0.513 25871 2319 1 4 . 1 1 788 788 GLY H H 788 8.644 8.644 8.429 0.215 25871 2320 1 4 . 1 1 789 789 GLU N N 789 121.232 121.232 121.961 -0.729 25871 2321 1 4 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.153 0.008 25871 2322 1 4 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.827 -0.394 25871 2323 1 4 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.528 0.113 25871 2324 1 4 . 1 1 789 789 GLU H H 789 8.539 8.539 8.512 0.026 25871 2325 1 4 . 1 1 790 790 ALA N N 790 122.805 122.805 121.282 1.523 25871 2326 1 4 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.111 0.162 25871 2327 1 4 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.126 -0.178 25871 2328 1 4 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.413 -0.512 25871 2329 1 4 . 1 1 790 790 ALA H H 790 8.035 8.035 7.543 0.492 25871 2330 1 4 . 1 1 791 791 GLU N N 791 122.504 122.504 116.094 6.410 25871 2331 1 4 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.188 0.561 25871 2332 1 4 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.650 0.817 25871 2333 1 4 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.966 -1.387 25871 2334 1 4 . 1 1 791 791 GLU H H 791 8.309 8.309 7.581 0.728 25871 2335 1 4 . 1 1 792 792 PHE N N 792 119.966 119.966 122.394 -2.428 25871 2336 1 4 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.162 0.036 25871 2337 1 4 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.838 0.781 25871 2338 1 4 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.027 -0.562 25871 2339 1 4 . 1 1 792 792 PHE H H 792 8.835 8.835 8.675 0.160 25871 2340 1 4 . 1 1 793 793 ALA N N 793 119.978 119.978 121.440 -1.462 25871 2341 1 4 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.621 0.285 25871 2342 1 4 . 1 1 793 793 ALA CA C 793 55.020 55.020 54.886 0.134 25871 2343 1 4 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.139 -0.503 25871 2344 1 4 . 1 1 793 793 ALA H H 793 8.147 8.147 8.543 -0.396 25871 2345 1 4 . 1 1 794 794 ARG N N 794 121.286 121.286 117.526 3.760 25871 2346 1 4 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.099 -0.162 25871 2347 1 4 . 1 1 794 794 ARG CA C 794 59.636 59.636 57.650 1.986 25871 2348 1 4 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.797 0.460 25871 2349 1 4 . 1 1 794 794 ARG H H 794 7.953 7.953 7.397 0.556 25871 2350 1 4 . 1 1 795 795 ILE N N 795 121.594 121.594 121.071 0.523 25871 2351 1 4 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.476 -0.165 25871 2352 1 4 . 1 1 795 795 ILE CA C 795 66.176 66.176 65.010 1.166 25871 2353 1 4 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.740 0.594 25871 2354 1 4 . 1 1 795 795 ILE H H 795 8.091 8.091 7.598 0.493 25871 2355 1 4 . 1 1 796 796 MET N N 796 118.593 118.593 117.556 1.037 25871 2356 1 4 . 1 1 796 796 MET HA H 796 4.266 4.266 4.065 0.201 25871 2357 1 4 . 1 1 796 796 MET CA C 796 56.204 56.204 59.074 -2.870 25871 2358 1 4 . 1 1 796 796 MET CB C 796 29.453 29.453 31.823 -2.370 25871 2359 1 4 . 1 1 796 796 MET H H 796 8.543 8.543 8.173 0.370 25871 2360 1 4 . 1 1 797 797 SER N N 797 114.792 114.792 113.772 1.020 25871 2361 1 4 . 1 1 797 797 SER HA H 797 4.131 4.131 4.254 -0.123 25871 2362 1 4 . 1 1 797 797 SER CA C 797 61.233 61.233 61.323 -0.090 25871 2363 1 4 . 1 1 797 797 SER CB C 797 63.017 63.017 63.019 -0.002 25871 2364 1 4 . 1 1 797 797 SER H H 797 7.740 7.740 7.369 0.371 25871 2365 1 4 . 1 1 798 798 ILE N N 798 121.041 121.041 119.743 1.298 25871 2366 1 4 . 1 1 798 798 ILE HA H 798 3.869 3.869 3.999 -0.130 25871 2367 1 4 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.656 0.283 25871 2368 1 4 . 1 1 798 798 ILE CB C 798 38.891 38.891 39.044 -0.153 25871 2369 1 4 . 1 1 798 798 ILE H H 798 7.352 7.352 7.592 -0.240 25871 2370 1 4 . 1 1 799 799 VAL N N 799 110.418 110.418 111.834 -1.416 25871 2371 1 4 . 1 1 799 799 VAL HA H 799 4.211 4.211 3.995 0.216 25871 2372 1 4 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.362 -0.178 25871 2373 1 4 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.467 -0.057 25871 2374 1 4 . 1 1 799 799 VAL H H 799 7.806 7.806 7.874 -0.068 25871 2375 1 4 . 1 1 800 800 ASP N N 800 119.703 119.703 118.960 0.743 25871 2376 1 4 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.025 0.232 25871 2377 1 4 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.881 -0.146 25871 2378 1 4 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.262 0.072 25871 2379 1 4 . 1 1 800 800 ASP H H 800 8.124 8.124 7.482 0.642 25871 2380 1 4 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.585 -0.225 25871 2381 1 4 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.134 0.901 25871 2382 1 4 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.105 -0.208 25871 2383 1 4 . 1 1 802 802 ASN N N 802 115.156 115.156 116.492 -1.336 25871 2384 1 4 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.667 0.112 25871 2385 1 4 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.047 0.181 25871 2386 1 4 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.748 -0.534 25871 2387 1 4 . 1 1 802 802 ASN H H 802 8.967 8.967 7.934 1.033 25871 2388 1 4 . 1 1 803 803 ARG N N 803 117.568 117.568 115.589 1.979 25871 2389 1 4 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.144 -0.295 25871 2390 1 4 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.389 0.587 25871 2391 1 4 . 1 1 803 803 ARG CB C 803 26.440 26.440 26.760 -0.320 25871 2392 1 4 . 1 1 803 803 ARG H H 803 8.013 8.013 7.735 0.278 25871 2393 1 4 . 1 1 804 804 LEU N N 804 122.899 122.899 119.915 2.984 25871 2394 1 4 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.207 0.005 25871 2395 1 4 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.862 0.299 25871 2396 1 4 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.217 0.671 25871 2397 1 4 . 1 1 804 804 LEU H H 804 10.338 10.338 8.875 1.463 25871 2398 1 4 . 1 1 805 805 GLY N N 805 110.909 110.909 106.809 4.100 25871 2399 1 4 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.563 -0.282 25871 2400 1 4 . 1 1 805 805 GLY H H 805 10.955 10.955 8.995 1.960 25871 2401 1 4 . 1 1 806 806 VAL N N 806 111.683 111.683 114.023 -2.340 25871 2402 1 4 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.084 -0.501 25871 2403 1 4 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.944 -0.528 25871 2404 1 4 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.550 0.753 25871 2405 1 4 . 1 1 806 806 VAL H H 806 6.806 6.806 7.364 -0.558 25871 2406 1 4 . 1 1 807 807 VAL N N 807 123.649 123.649 119.771 3.878 25871 2407 1 4 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.318 -0.132 25871 2408 1 4 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.458 1.222 25871 2409 1 4 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.453 -2.550 25871 2410 1 4 . 1 1 807 807 VAL H H 807 9.156 9.156 8.798 0.358 25871 2411 1 4 . 1 1 808 808 THR N N 808 116.404 116.404 119.063 -2.659 25871 2412 1 4 . 1 1 808 808 THR HA H 808 4.782 4.782 4.724 0.058 25871 2413 1 4 . 1 1 808 808 THR CA C 808 62.526 62.526 59.949 2.577 25871 2414 1 4 . 1 1 808 808 THR CB C 808 69.707 69.707 70.734 -1.027 25871 2415 1 4 . 1 1 808 808 THR H H 808 7.948 7.948 8.263 -0.315 25871 2416 1 4 . 1 1 809 809 PHE N N 809 121.514 121.514 124.677 -3.163 25871 2417 1 4 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.462 -0.960 25871 2418 1 4 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.679 -0.901 25871 2419 1 4 . 1 1 809 809 PHE CB C 809 38.435 38.435 39.021 -0.586 25871 2420 1 4 . 1 1 809 809 PHE H H 809 8.528 8.528 8.402 0.126 25871 2421 1 4 . 1 1 810 810 GLN N N 810 116.869 116.869 118.378 -1.509 25871 2422 1 4 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.674 -0.053 25871 2423 1 4 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.986 0.562 25871 2424 1 4 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.953 0.444 25871 2425 1 4 . 1 1 810 810 GLN H H 810 8.638 8.638 8.264 0.374 25871 2426 1 4 . 1 1 811 811 ALA N N 811 121.318 121.318 122.632 -1.314 25871 2427 1 4 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.993 0.155 25871 2428 1 4 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.559 0.529 25871 2429 1 4 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.617 0.623 25871 2430 1 4 . 1 1 811 811 ALA H H 811 7.795 7.795 7.574 0.222 25871 2431 1 4 . 1 1 812 812 PHE N N 812 119.498 119.498 116.605 2.893 25871 2432 1 4 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.811 0.366 25871 2433 1 4 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.386 1.111 25871 2434 1 4 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.623 0.403 25871 2435 1 4 . 1 1 812 812 PHE H H 812 8.093 8.093 7.597 0.496 25871 2436 1 4 . 1 1 813 813 ILE N N 813 119.554 119.554 118.165 1.389 25871 2437 1 4 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.624 0.521 25871 2438 1 4 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.859 -0.683 25871 2439 1 4 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.657 0.133 25871 2440 1 4 . 1 1 813 813 ILE H H 813 8.316 8.316 6.486 1.830 25871 2441 1 4 . 1 1 814 814 ASP N N 814 123.772 123.772 119.925 3.847 25871 2442 1 4 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.202 0.038 25871 2443 1 4 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.571 0.333 25871 2444 1 4 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.826 -0.584 25871 2445 1 4 . 1 1 814 814 ASP H H 814 8.434 8.434 7.304 1.130 25871 2446 1 4 . 1 1 815 815 PHE N N 815 121.079 121.079 116.517 4.562 25871 2447 1 4 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.567 -0.394 25871 2448 1 4 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.817 2.308 25871 2449 1 4 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.361 0.931 25871 2450 1 4 . 1 1 815 815 PHE H H 815 7.904 7.904 7.059 0.845 25871 2451 1 4 . 1 1 816 816 MET N N 816 117.231 117.231 121.216 -3.985 25871 2452 1 4 . 1 1 816 816 MET HA H 816 3.864 3.864 4.669 -0.805 25871 2453 1 4 . 1 1 816 816 MET CA C 816 55.934 55.934 56.739 -0.805 25871 2454 1 4 . 1 1 816 816 MET CB C 816 30.451 30.451 31.422 -0.971 25871 2455 1 4 . 1 1 816 816 MET H H 816 8.270 8.270 7.291 0.979 25871 2456 1 4 . 1 1 817 817 SER N N 817 114.308 114.308 115.514 -1.206 25871 2457 1 4 . 1 1 817 817 SER HA H 817 4.209 4.209 4.129 0.080 25871 2458 1 4 . 1 1 817 817 SER CA C 817 60.410 60.410 61.758 -1.348 25871 2459 1 4 . 1 1 817 817 SER CB C 817 63.328 63.328 62.813 0.515 25871 2460 1 4 . 1 1 817 817 SER H H 817 8.100 8.100 7.840 0.260 25871 2461 1 4 . 1 1 818 818 ARG N N 818 121.459 121.459 118.996 2.463 25871 2462 1 4 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.162 0.002 25871 2463 1 4 . 1 1 818 818 ARG CA C 818 57.468 57.468 59.121 -1.653 25871 2464 1 4 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.439 -0.054 25871 2465 1 4 . 1 1 818 818 ARG H H 818 7.329 7.329 7.675 -0.346 25871 2466 1 4 . 1 1 819 819 GLU N N 819 119.944 119.944 118.488 1.456 25871 2467 1 4 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.210 -0.046 25871 2468 1 4 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.694 -1.226 25871 2469 1 4 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.520 1.006 25871 2470 1 4 . 1 1 819 819 GLU H H 819 8.059 8.059 7.706 0.353 25871 2471 1 4 . 1 1 820 820 THR N N 820 112.658 112.658 113.436 -0.778 25871 2472 1 4 . 1 1 820 820 THR HA H 820 4.309 4.309 4.252 0.057 25871 2473 1 4 . 1 1 820 820 THR CA C 820 62.191 62.191 64.205 -2.014 25871 2474 1 4 . 1 1 820 820 THR CB C 820 69.877 69.877 69.331 0.546 25871 2475 1 4 . 1 1 820 820 THR H H 820 7.789 7.789 7.995 -0.206 25871 2476 1 4 . 1 1 821 821 ALA N N 821 126.145 126.145 122.277 3.868 25871 2477 1 4 . 1 1 821 821 ALA HA H 821 4.332 4.332 3.955 0.377 25871 2478 1 4 . 1 1 821 821 ALA CA C 821 52.816 52.816 52.732 0.084 25871 2479 1 4 . 1 1 821 821 ALA CB C 821 19.459 19.459 16.769 2.690 25871 2480 1 4 . 1 1 821 821 ALA H H 821 8.003 8.003 7.622 0.381 25871 2481 1 4 . 1 1 822 822 ASP N N 822 120.003 120.003 115.294 4.709 25871 2482 1 4 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.331 0.311 25871 2483 1 4 . 1 1 822 822 ASP CA C 822 54.439 54.439 55.633 -1.194 25871 2484 1 4 . 1 1 822 822 ASP CB C 822 40.866 40.866 39.547 1.319 25871 2485 1 4 . 1 1 822 822 ASP H H 822 8.330 8.330 8.129 0.201 25871 2486 1 4 . 1 1 823 823 THR N N 823 114.181 114.181 111.308 2.873 25871 2487 1 4 . 1 1 823 823 THR HA H 823 4.304 4.304 4.219 0.085 25871 2488 1 4 . 1 1 823 823 THR CA C 823 62.284 62.284 62.505 -0.221 25871 2489 1 4 . 1 1 823 823 THR CB C 823 69.738 69.738 69.692 0.046 25871 2490 1 4 . 1 1 823 823 THR H H 823 8.093 8.093 7.536 0.557 25871 2491 1 4 . 1 1 824 824 ASP N N 824 123.285 123.285 125.275 -1.990 25871 2492 1 4 . 1 1 824 824 ASP HA H 824 4.651 4.651 5.223 -0.572 25871 2493 1 4 . 1 1 824 824 ASP CA C 824 54.595 54.595 52.106 2.489 25871 2494 1 4 . 1 1 824 824 ASP CB C 824 41.145 41.145 44.059 -2.914 25871 2495 1 4 . 1 1 824 824 ASP H H 824 8.426 8.426 8.542 -0.116 25871 2496 1 4 . 1 1 825 825 THR N N 825 114.970 114.970 116.131 -1.161 25871 2497 1 4 . 1 1 825 825 THR HA H 825 4.313 4.313 4.142 0.171 25871 2498 1 4 . 1 1 825 825 THR CA C 825 62.329 62.329 64.416 -2.087 25871 2499 1 4 . 1 1 825 825 THR CB C 825 69.541 69.541 69.092 0.449 25871 2500 1 4 . 1 1 825 825 THR H H 825 8.157 8.157 8.349 -0.192 25871 2501 1 4 . 1 1 826 826 ALA N N 826 124.991 124.991 123.378 1.613 25871 2502 1 4 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.155 0.046 25871 2503 1 4 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.678 -0.205 25871 2504 1 4 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.424 0.272 25871 2505 1 4 . 1 1 826 826 ALA H H 826 8.374 8.374 8.775 -0.401 25871 2506 1 4 . 1 1 827 827 ASP N N 827 117.795 117.795 118.193 -0.398 25871 2507 1 4 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.309 0.153 25871 2508 1 4 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.485 -1.334 25871 2509 1 4 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.893 0.036 25871 2510 1 4 . 1 1 827 827 ASP H H 827 8.255 8.255 7.926 0.329 25871 2511 1 4 . 1 1 828 828 GLN N N 828 120.646 120.646 118.751 1.895 25871 2512 1 4 . 1 1 828 828 GLN HA H 828 4.121 4.121 3.993 0.128 25871 2513 1 4 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.686 -0.736 25871 2514 1 4 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.641 -0.055 25871 2515 1 4 . 1 1 828 828 GLN H H 828 8.086 8.086 7.579 0.507 25871 2516 1 4 . 1 1 829 829 VAL N N 829 120.933 120.933 119.824 1.109 25871 2517 1 4 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.530 0.021 25871 2518 1 4 . 1 1 829 829 VAL CA C 829 65.321 65.321 65.026 0.295 25871 2519 1 4 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.827 -0.077 25871 2520 1 4 . 1 1 829 829 VAL H H 829 8.048 8.048 7.454 0.594 25871 2521 1 4 . 1 1 830 830 MET N N 830 119.386 119.386 120.777 -1.391 25871 2522 1 4 . 1 1 830 830 MET HA H 830 4.030 4.030 4.369 -0.339 25871 2523 1 4 . 1 1 830 830 MET CA C 830 58.013 58.013 59.023 -1.010 25871 2524 1 4 . 1 1 830 830 MET CB C 830 32.110 32.110 32.469 -0.359 25871 2525 1 4 . 1 1 830 830 MET H H 830 8.088 8.088 7.802 0.286 25871 2526 1 4 . 1 1 831 831 ALA N N 831 121.027 121.027 121.095 -0.068 25871 2527 1 4 . 1 1 831 831 ALA HA H 831 4.075 4.075 3.997 0.078 25871 2528 1 4 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.312 -0.693 25871 2529 1 4 . 1 1 831 831 ALA CB C 831 18.126 18.126 17.935 0.191 25871 2530 1 4 . 1 1 831 831 ALA H H 831 7.829 7.829 8.494 -0.665 25871 2531 1 4 . 1 1 832 832 SER N N 832 114.314 114.314 114.696 -0.382 25871 2532 1 4 . 1 1 832 832 SER HA H 832 4.181 4.181 4.115 0.066 25871 2533 1 4 . 1 1 832 832 SER CA C 832 61.039 61.039 61.512 -0.473 25871 2534 1 4 . 1 1 832 832 SER CB C 832 62.671 62.671 62.834 -0.163 25871 2535 1 4 . 1 1 832 832 SER H H 832 7.711 7.711 7.717 -0.006 25871 2536 1 4 . 1 1 833 833 PHE N N 833 121.898 121.898 120.023 1.875 25871 2537 1 4 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.171 0.059 25871 2538 1 4 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.821 -1.387 25871 2539 1 4 . 1 1 833 833 PHE CB C 833 38.249 38.249 37.998 0.251 25871 2540 1 4 . 1 1 833 833 PHE H H 833 7.717 7.717 7.636 0.081 25871 2541 1 4 . 1 1 834 834 LYS N N 834 118.752 118.752 119.799 -1.047 25871 2542 1 4 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.978 -0.356 25871 2543 1 4 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.431 -0.006 25871 2544 1 4 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.291 -0.108 25871 2545 1 4 . 1 1 834 834 LYS H H 834 7.844 7.844 8.037 -0.193 25871 2546 1 4 . 1 1 835 835 ILE N N 835 118.528 118.528 117.633 0.895 25871 2547 1 4 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.802 -0.032 25871 2548 1 4 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.324 -0.605 25871 2549 1 4 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.436 -0.530 25871 2550 1 4 . 1 1 835 835 ILE H H 835 7.311 7.311 7.317 -0.006 25871 2551 1 4 . 1 1 836 836 LEU N N 836 121.176 121.176 117.078 4.098 25871 2552 1 4 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.374 -0.384 25871 2553 1 4 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.908 0.258 25871 2554 1 4 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.739 0.757 25871 2555 1 4 . 1 1 836 836 LEU H H 836 7.617 7.617 7.284 0.333 25871 2556 1 4 . 1 1 837 837 ALA N N 837 119.189 119.189 121.210 -2.021 25871 2557 1 4 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.244 -0.320 25871 2558 1 4 . 1 1 837 837 ALA CA C 837 53.417 53.417 53.014 0.403 25871 2559 1 4 . 1 1 837 837 ALA CB C 837 19.392 19.392 17.799 1.593 25871 2560 1 4 . 1 1 837 837 ALA H H 837 8.092 8.092 8.597 -0.505 25871 2561 1 4 . 1 1 838 838 GLY N N 838 106.965 106.965 107.972 -1.007 25871 2562 1 4 . 1 1 838 838 GLY CA C 838 47.029 47.029 47.129 -0.100 25871 2563 1 4 . 1 1 838 838 GLY H H 838 7.667 7.667 8.159 -0.492 25871 2564 1 4 . 1 1 839 839 ASP N N 839 122.392 122.392 120.319 2.073 25871 2565 1 4 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.567 -0.050 25871 2566 1 4 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.549 -0.968 25871 2567 1 4 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.131 -0.547 25871 2568 1 4 . 1 1 839 839 ASP H H 839 8.703 8.703 8.100 0.603 25871 2569 1 4 . 1 1 840 840 LYS N N 840 117.603 117.603 116.580 1.023 25871 2570 1 4 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.632 -0.300 25871 2571 1 4 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.532 1.435 25871 2572 1 4 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.029 -1.278 25871 2573 1 4 . 1 1 840 840 LYS H H 840 7.592 7.592 8.056 -0.464 25871 2574 1 4 . 1 1 841 841 ASN N N 841 116.654 116.654 116.894 -0.240 25871 2575 1 4 . 1 1 841 841 ASN HA H 841 4.642 4.642 5.019 -0.377 25871 2576 1 4 . 1 1 841 841 ASN CA C 841 53.696 53.696 52.754 0.942 25871 2577 1 4 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.366 -0.110 25871 2578 1 4 . 1 1 841 841 ASN H H 841 8.689 8.689 8.775 -0.086 25871 2579 1 4 . 1 1 842 842 TYR N N 842 112.231 112.231 113.914 -1.683 25871 2580 1 4 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.959 0.054 25871 2581 1 4 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.208 -2.075 25871 2582 1 4 . 1 1 842 842 TYR CB C 842 40.628 40.628 38.939 1.689 25871 2583 1 4 . 1 1 842 842 TYR H H 842 6.638 6.638 7.259 -0.621 25871 2584 1 4 . 1 1 843 843 ILE N N 843 115.455 115.455 119.118 -3.663 25871 2585 1 4 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.514 0.286 25871 2586 1 4 . 1 1 843 843 ILE CA C 843 59.462 59.462 58.868 0.594 25871 2587 1 4 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.767 0.702 25871 2588 1 4 . 1 1 843 843 ILE H H 843 8.626 8.626 9.094 -0.468 25871 2589 1 4 . 1 1 844 844 THR N N 844 117.140 117.140 116.189 0.951 25871 2590 1 4 . 1 1 844 844 THR HA H 844 5.393 5.393 5.281 0.112 25871 2591 1 4 . 1 1 844 844 THR CA C 844 60.380 60.380 59.691 0.690 25871 2592 1 4 . 1 1 844 844 THR CB C 844 71.475 71.475 71.323 0.152 25871 2593 1 4 . 1 1 844 844 THR H H 844 9.329 9.329 8.868 0.461 25871 2594 1 4 . 1 1 845 845 MET N N 845 119.879 119.879 119.662 0.217 25871 2595 1 4 . 1 1 845 845 MET HA H 845 3.852 3.852 4.031 -0.179 25871 2596 1 4 . 1 1 845 845 MET CA C 845 60.389 60.389 60.335 0.054 25871 2597 1 4 . 1 1 845 845 MET CB C 845 33.110 33.110 32.438 0.672 25871 2598 1 4 . 1 1 845 845 MET H H 845 8.555 8.555 8.673 -0.118 25871 2599 1 4 . 1 1 846 846 ASP N N 846 116.360 116.360 119.022 -2.662 25871 2600 1 4 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.412 -0.102 25871 2601 1 4 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.822 -0.333 25871 2602 1 4 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.244 0.428 25871 2603 1 4 . 1 1 846 846 ASP H H 846 8.375 8.375 8.447 -0.072 25871 2604 1 4 . 1 1 847 847 GLU N N 847 120.575 120.575 119.673 0.902 25871 2605 1 4 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.038 -0.152 25871 2606 1 4 . 1 1 847 847 GLU CA C 847 59.754 59.754 59.065 0.689 25871 2607 1 4 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.785 -0.028 25871 2608 1 4 . 1 1 847 847 GLU H H 847 7.852 7.852 7.586 0.266 25871 2609 1 4 . 1 1 848 848 LEU N N 848 118.753 118.753 117.638 1.115 25871 2610 1 4 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.209 -0.349 25871 2611 1 4 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.174 0.509 25871 2612 1 4 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.401 1.123 25871 2613 1 4 . 1 1 848 848 LEU H H 848 7.834 7.834 8.032 -0.198 25871 2614 1 4 . 1 1 849 849 ARG N N 849 113.976 113.976 118.510 -4.534 25871 2615 1 4 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.152 -0.192 25871 2616 1 4 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.234 0.362 25871 2617 1 4 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.122 0.023 25871 2618 1 4 . 1 1 849 849 ARG H H 849 8.055 8.055 7.691 0.364 25871 2619 1 4 . 1 1 850 850 ARG N N 850 118.184 118.184 118.636 -0.452 25871 2620 1 4 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.211 0.020 25871 2621 1 4 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.312 0.067 25871 2622 1 4 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.545 1.568 25871 2623 1 4 . 1 1 850 850 ARG H H 850 7.739 7.739 7.845 -0.106 25871 2624 1 4 . 1 1 851 851 GLU N N 851 115.550 115.550 118.789 -3.239 25871 2625 1 4 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.268 0.112 25871 2626 1 4 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.251 -1.257 25871 2627 1 4 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.776 0.909 25871 2628 1 4 . 1 1 851 851 GLU H H 851 7.591 7.591 7.621 -0.030 25871 2629 1 4 . 1 1 852 852 LEU N N 852 119.170 119.170 119.926 -0.756 25871 2630 1 4 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.867 0.059 25871 2631 1 4 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.141 0.150 25871 2632 1 4 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.857 0.781 25871 2633 1 4 . 1 1 852 852 LEU H H 852 7.891 7.891 7.641 0.250 25871 2634 1 4 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.600 -0.295 25871 2635 1 4 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.659 3.743 25871 2636 1 4 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.215 0.109 25871 2637 1 4 . 1 1 855 855 ASP N N 855 114.853 114.853 118.447 -3.594 25871 2638 1 4 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.319 0.060 25871 2639 1 4 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.128 -0.070 25871 2640 1 4 . 1 1 855 855 ASP CB C 855 39.239 39.239 39.903 -0.664 25871 2641 1 4 . 1 1 855 855 ASP H H 855 8.796 8.796 8.614 0.182 25871 2642 1 4 . 1 1 856 856 GLN N N 856 121.513 121.513 118.440 3.073 25871 2643 1 4 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.886 0.354 25871 2644 1 4 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.435 -0.051 25871 2645 1 4 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.842 1.501 25871 2646 1 4 . 1 1 856 856 GLN H H 856 7.471 7.471 8.357 -0.886 25871 2647 1 4 . 1 1 857 857 ALA N N 857 122.821 122.821 121.779 1.042 25871 2648 1 4 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.043 -0.213 25871 2649 1 4 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.712 0.693 25871 2650 1 4 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.238 -0.254 25871 2651 1 4 . 1 1 857 857 ALA H H 857 8.889 8.889 8.364 0.525 25871 2652 1 4 . 1 1 858 858 GLU N N 858 114.091 114.091 119.480 -5.389 25871 2653 1 4 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.101 -0.045 25871 2654 1 4 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.368 -0.588 25871 2655 1 4 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.654 -0.987 25871 2656 1 4 . 1 1 858 858 GLU H H 858 8.143 8.143 7.686 0.457 25871 2657 1 4 . 1 1 859 859 TYR N N 859 120.670 120.670 119.304 1.366 25871 2658 1 4 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.251 -0.124 25871 2659 1 4 . 1 1 859 859 TYR CA C 859 61.148 61.148 60.857 0.291 25871 2660 1 4 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.939 0.799 25871 2661 1 4 . 1 1 859 859 TYR H H 859 7.708 7.708 8.579 -0.871 25871 2662 1 4 . 1 1 860 860 CYS N N 860 115.848 115.848 118.706 -2.858 25871 2663 1 4 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.004 0.184 25871 2664 1 4 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.223 0.215 25871 2665 1 4 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.365 0.100 25871 2666 1 4 . 1 1 860 860 CYS H H 860 8.119 8.119 8.061 0.058 25871 2667 1 4 . 1 1 861 861 ILE N N 861 120.124 120.124 120.807 -0.683 25871 2668 1 4 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.551 -0.187 25871 2669 1 4 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.824 -0.092 25871 2670 1 4 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.754 0.968 25871 2671 1 4 . 1 1 861 861 ILE H H 861 8.451 8.451 8.334 0.117 25871 2672 1 4 . 1 1 862 862 ALA N N 862 116.691 116.691 120.797 -4.106 25871 2673 1 4 . 1 1 862 862 ALA HA H 862 4.250 4.250 3.806 0.444 25871 2674 1 4 . 1 1 862 862 ALA CA C 862 53.428 53.428 54.494 -1.066 25871 2675 1 4 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.273 0.802 25871 2676 1 4 . 1 1 862 862 ALA H H 862 7.304 7.304 8.137 -0.833 25871 2677 1 4 . 1 1 863 863 ARG N N 863 117.259 117.259 116.159 1.100 25871 2678 1 4 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.252 0.040 25871 2679 1 4 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.701 0.738 25871 2680 1 4 . 1 1 863 863 ARG CB C 863 31.458 31.458 30.787 0.671 25871 2681 1 4 . 1 1 863 863 ARG H H 863 7.357 7.357 7.248 0.109 25871 2682 1 4 . 1 1 864 864 MET N N 864 117.570 117.570 118.369 -0.799 25871 2683 1 4 . 1 1 864 864 MET HA H 864 4.598 4.598 4.162 0.436 25871 2684 1 4 . 1 1 864 864 MET CA C 864 55.180 55.180 56.204 -1.024 25871 2685 1 4 . 1 1 864 864 MET CB C 864 37.428 37.428 34.074 3.354 25871 2686 1 4 . 1 1 864 864 MET H H 864 7.147 7.147 7.612 -0.465 25871 2687 1 4 . 1 1 865 865 ALA N N 865 124.616 124.616 123.810 0.806 25871 2688 1 4 . 1 1 865 865 ALA HA H 865 3.933 3.933 5.025 -1.092 25871 2689 1 4 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.232 0.048 25871 2690 1 4 . 1 1 865 865 ALA CB C 865 18.649 18.649 19.216 -0.567 25871 2691 1 4 . 1 1 865 865 ALA H H 865 8.548 8.548 8.375 0.173 25871 2692 1 4 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.523 -0.004 25871 2693 1 4 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.505 0.316 25871 2694 1 4 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.364 -0.373 25871 2695 1 4 . 1 1 867 867 TYR N N 867 122.454 122.454 123.250 -0.796 25871 2696 1 4 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.626 -0.471 25871 2697 1 4 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.633 -0.682 25871 2698 1 4 . 1 1 867 867 TYR CB C 867 43.347 43.347 40.703 2.644 25871 2699 1 4 . 1 1 867 867 TYR H H 867 8.127 8.127 8.188 -0.061 25871 2700 1 4 . 1 1 869 869 GLY N N 869 105.881 105.881 109.578 -3.697 25871 2701 1 4 . 1 1 869 869 GLY CA C 869 45.090 45.090 42.964 2.126 25871 2702 1 4 . 1 1 869 869 GLY H H 869 5.440 5.440 6.480 -1.040 25871 2703 1 4 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.342 0.019 25871 2704 1 4 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.210 0.631 25871 2705 1 4 . 1 1 870 870 PRO CB C 870 31.630 31.630 31.973 -0.343 25871 2706 1 4 . 1 1 871 871 ASP N N 871 116.217 116.217 119.219 -3.002 25871 2707 1 4 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.885 -0.249 25871 2708 1 4 . 1 1 871 871 ASP CA C 871 52.950 52.950 52.626 0.324 25871 2709 1 4 . 1 1 871 871 ASP CB C 871 39.150 39.150 41.384 -2.234 25871 2710 1 4 . 1 1 871 871 ASP H H 871 9.263 9.263 8.095 1.168 25871 2711 1 4 . 1 1 872 872 SER N N 872 112.352 112.352 115.511 -3.159 25871 2712 1 4 . 1 1 872 872 SER HA H 872 3.530 3.530 4.389 -0.859 25871 2713 1 4 . 1 1 872 872 SER CA C 872 59.184 59.184 58.565 0.619 25871 2714 1 4 . 1 1 872 872 SER CB C 872 63.286 63.286 63.905 -0.619 25871 2715 1 4 . 1 1 872 872 SER H H 872 7.487 7.487 7.591 -0.104 25871 2716 1 4 . 1 1 873 873 VAL N N 873 113.588 113.588 115.860 -2.272 25871 2717 1 4 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.666 0.087 25871 2718 1 4 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.328 -0.260 25871 2719 1 4 . 1 1 873 873 VAL CB C 873 32.917 32.917 32.160 0.757 25871 2720 1 4 . 1 1 873 873 VAL H H 873 6.411 6.411 7.787 -1.376 25871 2721 1 4 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.359 -0.029 25871 2722 1 4 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.965 -0.655 25871 2723 1 4 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.808 -0.185 25871 2724 1 4 . 1 1 875 875 GLY N N 875 112.109 112.109 105.221 6.888 25871 2725 1 4 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.182 1.310 25871 2726 1 4 . 1 1 875 875 GLY H H 875 8.798 8.798 8.220 0.578 25871 2727 1 4 . 1 1 876 876 ALA N N 876 120.267 120.267 124.084 -3.817 25871 2728 1 4 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.221 -1.084 25871 2729 1 4 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.896 2.367 25871 2730 1 4 . 1 1 876 876 ALA CB C 876 20.554 20.554 20.846 -0.292 25871 2731 1 4 . 1 1 876 876 ALA H H 876 7.762 7.762 7.758 0.004 25871 2732 1 4 . 1 1 877 877 LEU N N 877 125.696 125.696 122.946 2.750 25871 2733 1 4 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.040 -0.236 25871 2734 1 4 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.960 0.332 25871 2735 1 4 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.641 -1.800 25871 2736 1 4 . 1 1 877 877 LEU H H 877 9.598 9.598 9.365 0.233 25871 2737 1 4 . 1 1 878 878 ASP N N 878 119.836 119.836 123.178 -3.342 25871 2738 1 4 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.061 -0.142 25871 2739 1 4 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.851 -0.721 25871 2740 1 4 . 1 1 878 878 ASP CB C 878 40.798 40.798 41.840 -1.042 25871 2741 1 4 . 1 1 878 878 ASP H H 878 9.028 9.028 8.661 0.367 25871 2742 1 4 . 1 1 879 879 TYR N N 879 126.600 126.600 125.493 1.107 25871 2743 1 4 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.239 0.379 25871 2744 1 4 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.814 -0.257 25871 2745 1 4 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.047 -0.523 25871 2746 1 4 . 1 1 879 879 TYR H H 879 7.454 7.454 8.152 -0.698 25871 2747 1 4 . 1 1 880 880 MET N N 880 119.910 119.910 118.756 1.154 25871 2748 1 4 . 1 1 880 880 MET HA H 880 4.619 4.619 3.662 0.957 25871 2749 1 4 . 1 1 880 880 MET CA C 880 56.205 56.205 57.770 -1.565 25871 2750 1 4 . 1 1 880 880 MET CB C 880 32.338 32.338 31.884 0.454 25871 2751 1 4 . 1 1 880 880 MET H H 880 7.620 7.620 7.449 0.171 25871 2752 1 4 . 1 1 881 881 SER N N 881 114.353 114.353 113.670 0.683 25871 2753 1 4 . 1 1 881 881 SER HA H 881 4.501 4.501 4.392 0.109 25871 2754 1 4 . 1 1 881 881 SER CA C 881 58.957 58.957 59.240 -0.283 25871 2755 1 4 . 1 1 881 881 SER CB C 881 64.284 64.284 63.141 1.143 25871 2756 1 4 . 1 1 881 881 SER H H 881 7.721 7.721 7.965 -0.244 25871 2757 1 4 . 1 1 882 882 PHE N N 882 122.746 122.746 123.997 -1.251 25871 2758 1 4 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.631 0.118 25871 2759 1 4 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.087 -0.636 25871 2760 1 4 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.519 1.777 25871 2761 1 4 . 1 1 882 882 PHE H H 882 7.386 7.386 7.753 -0.367 25871 2762 1 4 . 1 1 883 883 SER N N 883 120.214 120.214 114.288 5.926 25871 2763 1 4 . 1 1 883 883 SER HA H 883 4.338 4.338 3.879 0.459 25871 2764 1 4 . 1 1 883 883 SER CA C 883 57.455 57.455 61.013 -3.558 25871 2765 1 4 . 1 1 883 883 SER CB C 883 64.684 64.684 63.050 1.634 25871 2766 1 4 . 1 1 883 883 SER H H 883 7.464 7.464 8.588 -1.124 25871 2767 1 4 . 1 1 884 884 THR N N 884 110.671 110.671 109.479 1.192 25871 2768 1 4 . 1 1 884 884 THR HA H 884 4.008 4.008 4.415 -0.407 25871 2769 1 4 . 1 1 884 884 THR CA C 884 63.367 63.367 61.609 1.758 25871 2770 1 4 . 1 1 884 884 THR CB C 884 69.088 69.088 70.898 -1.810 25871 2771 1 4 . 1 1 884 884 THR H H 884 7.993 7.993 7.862 0.131 25871 2772 1 4 . 1 1 885 885 ALA N N 885 125.453 125.453 123.805 1.648 25871 2773 1 4 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.769 -0.499 25871 2774 1 4 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.119 0.041 25871 2775 1 4 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.165 -1.855 25871 2776 1 4 . 1 1 885 885 ALA H H 885 7.905 7.905 7.512 0.393 25871 2777 1 4 . 1 1 886 886 LEU N N 886 120.791 120.791 117.456 3.335 25871 2778 1 4 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.604 -1.557 25871 2779 1 4 . 1 1 886 886 LEU CA C 886 55.496 55.496 53.769 1.727 25871 2780 1 4 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.247 -2.908 25871 2781 1 4 . 1 1 886 886 LEU H H 886 8.087 8.087 8.200 -0.113 25871 2782 1 4 . 1 1 887 887 TYR N N 887 121.620 121.620 116.578 5.042 25871 2783 1 4 . 1 1 887 887 TYR HA H 887 4.403 4.403 5.033 -0.630 25871 2784 1 4 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.006 1.788 25871 2785 1 4 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.703 -1.082 25871 2786 1 4 . 1 1 887 887 TYR H H 887 8.272 8.272 8.092 0.180 25871 2787 1 4 . 1 1 888 888 GLY N N 888 112.443 112.443 110.591 1.852 25871 2788 1 4 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.425 0.770 25871 2789 1 4 . 1 1 888 888 GLY H H 888 8.087 8.087 7.465 0.622 25871 2790 1 4 . 1 1 889 889 GLU N N 889 120.272 120.272 119.132 1.140 25871 2791 1 4 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.184 0.111 25871 2792 1 4 . 1 1 889 889 GLU CA C 889 56.593 56.593 56.815 -0.222 25871 2793 1 4 . 1 1 889 889 GLU CB C 889 30.601 30.601 30.255 0.346 25871 2794 1 4 . 1 1 889 889 GLU H H 889 7.991 7.991 7.314 0.677 25871 2795 1 4 . 1 1 890 890 SER N N 890 116.330 116.330 118.165 -1.835 25871 2796 1 4 . 1 1 890 890 SER HA H 890 4.452 4.452 4.647 -0.195 25871 2797 1 4 . 1 1 890 890 SER CA C 890 58.334 58.334 58.322 0.013 25871 2798 1 4 . 1 1 890 890 SER CB C 890 64.174 64.174 63.524 0.650 25871 2799 1 4 . 1 1 890 890 SER H H 890 8.325 8.325 8.603 -0.278 25871 2800 1 4 . 1 1 891 891 ASP N N 891 122.987 122.987 121.297 1.690 25871 2801 1 4 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.806 -0.154 25871 2802 1 4 . 1 1 891 891 ASP CA C 891 54.534 54.534 54.239 0.295 25871 2803 1 4 . 1 1 891 891 ASP CB C 891 40.981 40.981 41.187 -0.206 25871 2804 1 4 . 1 1 891 891 ASP H H 891 8.387 8.387 8.476 -0.089 25871 2805 1 5 . 1 1 743 743 ILE N N 743 122.085 122.085 122.704 -0.619 25871 2806 1 5 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.238 0.118 25871 2807 1 5 . 1 1 743 743 ILE CA C 743 60.624 60.624 61.950 -1.326 25871 2808 1 5 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.593 0.430 25871 2809 1 5 . 1 1 743 743 ILE H H 743 8.122 8.122 8.352 -0.230 25871 2810 1 5 . 1 1 744 744 SER N N 744 123.378 123.378 123.539 -0.161 25871 2811 1 5 . 1 1 744 744 SER HA H 744 4.472 4.472 4.661 -0.189 25871 2812 1 5 . 1 1 744 744 SER CA C 744 57.581 57.581 57.378 0.203 25871 2813 1 5 . 1 1 744 744 SER CB C 744 65.276 65.276 65.129 0.147 25871 2814 1 5 . 1 1 744 744 SER H H 744 8.844 8.844 8.132 0.712 25871 2815 1 5 . 1 1 745 745 GLN N N 745 121.612 121.612 120.421 1.191 25871 2816 1 5 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.103 -0.125 25871 2817 1 5 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.191 -0.304 25871 2818 1 5 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.660 -0.134 25871 2819 1 5 . 1 1 745 745 GLN H H 745 9.035 9.035 8.971 0.064 25871 2820 1 5 . 1 1 746 746 GLU N N 746 118.618 118.618 118.944 -0.326 25871 2821 1 5 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.089 -0.055 25871 2822 1 5 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.894 1.403 25871 2823 1 5 . 1 1 746 746 GLU CB C 746 28.944 28.944 29.137 -0.193 25871 2824 1 5 . 1 1 746 746 GLU H H 746 8.718 8.718 7.917 0.801 25871 2825 1 5 . 1 1 747 747 GLN N N 747 120.436 120.436 119.388 1.048 25871 2826 1 5 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.268 -0.444 25871 2827 1 5 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.905 -0.401 25871 2828 1 5 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.296 -0.341 25871 2829 1 5 . 1 1 747 747 GLN H H 747 7.821 7.821 8.076 -0.255 25871 2830 1 5 . 1 1 748 748 MET N N 748 119.174 119.174 117.282 1.892 25871 2831 1 5 . 1 1 748 748 MET HA H 748 4.228 4.228 4.537 -0.309 25871 2832 1 5 . 1 1 748 748 MET CA C 748 58.305 58.305 59.183 -0.878 25871 2833 1 5 . 1 1 748 748 MET CB C 748 30.922 30.922 32.243 -1.321 25871 2834 1 5 . 1 1 748 748 MET H H 748 8.477 8.477 8.408 0.069 25871 2835 1 5 . 1 1 749 749 ASN N N 749 117.610 117.610 119.708 -2.098 25871 2836 1 5 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.439 0.066 25871 2837 1 5 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.776 -0.814 25871 2838 1 5 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.316 -0.411 25871 2839 1 5 . 1 1 749 749 ASN H H 749 8.302 8.302 7.987 0.315 25871 2840 1 5 . 1 1 750 750 GLU N N 750 122.737 122.737 120.371 2.366 25871 2841 1 5 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.045 0.201 25871 2842 1 5 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.795 0.730 25871 2843 1 5 . 1 1 750 750 GLU CB C 750 29.409 29.409 28.995 0.414 25871 2844 1 5 . 1 1 750 750 GLU H H 750 7.789 7.789 7.825 -0.036 25871 2845 1 5 . 1 1 751 751 PHE N N 751 120.358 120.358 121.367 -1.009 25871 2846 1 5 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.332 0.646 25871 2847 1 5 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.480 -3.837 25871 2848 1 5 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.891 -1.413 25871 2849 1 5 . 1 1 751 751 PHE H H 751 8.772 8.772 8.278 0.494 25871 2850 1 5 . 1 1 752 752 ARG N N 752 120.173 120.173 119.358 0.815 25871 2851 1 5 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.365 -0.218 25871 2852 1 5 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.838 -3.037 25871 2853 1 5 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.115 0.247 25871 2854 1 5 . 1 1 752 752 ARG H H 752 8.990 8.990 8.765 0.225 25871 2855 1 5 . 1 1 753 753 ALA N N 753 120.965 120.965 122.233 -1.268 25871 2856 1 5 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.217 0.038 25871 2857 1 5 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.182 0.243 25871 2858 1 5 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.198 -0.186 25871 2859 1 5 . 1 1 753 753 ALA H H 753 8.136 8.136 8.612 -0.476 25871 2860 1 5 . 1 1 754 754 SER N N 754 115.350 115.350 116.108 -0.758 25871 2861 1 5 . 1 1 754 754 SER HA H 754 4.451 4.451 4.377 0.074 25871 2862 1 5 . 1 1 754 754 SER CA C 754 63.045 63.045 62.751 0.294 25871 2863 1 5 . 1 1 754 754 SER CB C 754 63.111 63.111 63.374 -0.263 25871 2864 1 5 . 1 1 754 754 SER H H 754 8.366 8.366 8.530 -0.164 25871 2865 1 5 . 1 1 755 755 PHE N N 755 121.902 121.902 122.788 -0.886 25871 2866 1 5 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.295 -0.309 25871 2867 1 5 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.266 2.087 25871 2868 1 5 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.133 1.032 25871 2869 1 5 . 1 1 755 755 PHE H H 755 8.498 8.498 8.281 0.217 25871 2870 1 5 . 1 1 756 756 ASN N N 756 114.071 114.071 117.969 -3.898 25871 2871 1 5 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.697 0.833 25871 2872 1 5 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.630 0.174 25871 2873 1 5 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.515 -0.582 25871 2874 1 5 . 1 1 756 756 ASN H H 756 8.722 8.722 8.139 0.583 25871 2875 1 5 . 1 1 757 757 HIS N N 757 119.524 119.524 118.832 0.692 25871 2876 1 5 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.263 -0.141 25871 2877 1 5 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.091 0.379 25871 2878 1 5 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.394 -0.347 25871 2879 1 5 . 1 1 757 757 HIS H H 757 8.027 8.027 8.090 -0.063 25871 2880 1 5 . 1 1 758 758 PHE N N 758 113.439 113.439 116.987 -3.548 25871 2881 1 5 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.265 -0.158 25871 2882 1 5 . 1 1 758 758 PHE CA C 758 60.068 60.068 60.062 0.006 25871 2883 1 5 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.444 0.544 25871 2884 1 5 . 1 1 758 758 PHE H H 758 7.322 7.322 8.235 -0.913 25871 2885 1 5 . 1 1 759 759 ASP N N 759 121.632 121.632 119.474 2.158 25871 2886 1 5 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.752 -0.136 25871 2887 1 5 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.344 0.264 25871 2888 1 5 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.050 -0.369 25871 2889 1 5 . 1 1 759 759 ASP H H 759 7.439 7.439 8.427 -0.988 25871 2890 1 5 . 1 1 760 760 ARG N N 760 123.429 123.429 122.119 1.310 25871 2891 1 5 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.862 -0.037 25871 2892 1 5 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.193 1.438 25871 2893 1 5 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.205 -0.132 25871 2894 1 5 . 1 1 760 760 ARG H H 760 7.797 7.797 7.642 0.155 25871 2895 1 5 . 1 1 761 761 ASP N N 761 115.027 115.027 117.908 -2.881 25871 2896 1 5 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.623 -0.142 25871 2897 1 5 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.562 -1.084 25871 2898 1 5 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.244 -1.744 25871 2899 1 5 . 1 1 761 761 ASP H H 761 8.470 8.470 7.674 0.796 25871 2900 1 5 . 1 1 762 762 HIS N N 762 117.442 117.442 116.954 0.488 25871 2901 1 5 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.402 -0.165 25871 2902 1 5 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.810 -0.317 25871 2903 1 5 . 1 1 762 762 HIS CB C 762 26.581 26.581 26.987 -0.406 25871 2904 1 5 . 1 1 762 762 HIS H H 762 7.716 7.716 7.673 0.043 25871 2905 1 5 . 1 1 763 763 SER N N 763 117.624 117.624 115.263 2.361 25871 2906 1 5 . 1 1 763 763 SER HA H 763 4.441 4.441 4.440 0.001 25871 2907 1 5 . 1 1 763 763 SER CA C 763 59.706 59.706 59.786 -0.080 25871 2908 1 5 . 1 1 763 763 SER CB C 763 65.228 65.228 64.309 0.919 25871 2909 1 5 . 1 1 763 763 SER H H 763 9.708 9.708 8.370 1.338 25871 2910 1 5 . 1 1 764 764 GLY N N 764 117.320 117.320 110.853 6.467 25871 2911 1 5 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.753 0.006 25871 2912 1 5 . 1 1 764 764 GLY H H 764 11.185 11.185 9.349 1.836 25871 2913 1 5 . 1 1 765 765 THR N N 765 110.392 110.392 110.526 -0.134 25871 2914 1 5 . 1 1 765 765 THR HA H 765 5.197 5.197 5.249 -0.052 25871 2915 1 5 . 1 1 765 765 THR CA C 765 59.125 59.125 60.240 -1.115 25871 2916 1 5 . 1 1 765 765 THR CB C 765 73.022 73.022 72.267 0.755 25871 2917 1 5 . 1 1 765 765 THR H H 765 7.972 7.972 7.531 0.441 25871 2918 1 5 . 1 1 766 766 LEU N N 766 117.658 117.658 119.537 -1.879 25871 2919 1 5 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.671 0.153 25871 2920 1 5 . 1 1 766 766 LEU CA C 766 52.752 52.752 52.972 -0.220 25871 2921 1 5 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.999 -1.786 25871 2922 1 5 . 1 1 766 766 LEU H H 766 8.589 8.589 8.457 0.132 25871 2923 1 5 . 1 1 767 767 GLY N N 767 108.644 108.644 107.181 1.463 25871 2924 1 5 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.361 0.575 25871 2925 1 5 . 1 1 767 767 GLY H H 767 8.601 8.601 8.281 0.320 25871 2926 1 5 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.449 -0.168 25871 2927 1 5 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.352 1.521 25871 2928 1 5 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.171 0.020 25871 2929 1 5 . 1 1 769 769 GLU N N 769 115.170 115.170 120.343 -5.173 25871 2930 1 5 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.886 0.046 25871 2931 1 5 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.450 0.323 25871 2932 1 5 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.135 -0.307 25871 2933 1 5 . 1 1 769 769 GLU H H 769 8.649 8.649 8.809 -0.160 25871 2934 1 5 . 1 1 770 770 GLU N N 770 121.294 121.294 120.830 0.464 25871 2935 1 5 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.201 -0.088 25871 2936 1 5 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.847 -0.229 25871 2937 1 5 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.328 0.975 25871 2938 1 5 . 1 1 770 770 GLU H H 770 7.846 7.846 8.147 -0.301 25871 2939 1 5 . 1 1 771 771 PHE N N 771 119.292 119.292 118.553 0.739 25871 2940 1 5 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.098 0.144 25871 2941 1 5 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.929 -0.825 25871 2942 1 5 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.953 -0.227 25871 2943 1 5 . 1 1 771 771 PHE H H 771 8.876 8.876 8.335 0.541 25871 2944 1 5 . 1 1 772 772 LYS N N 772 120.139 120.139 120.349 -0.210 25871 2945 1 5 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.933 -0.757 25871 2946 1 5 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.491 0.994 25871 2947 1 5 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.227 -0.543 25871 2948 1 5 . 1 1 772 772 LYS H H 772 8.404 8.404 7.623 0.781 25871 2949 1 5 . 1 1 773 773 ALA N N 773 118.856 118.856 121.424 -2.568 25871 2950 1 5 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.165 -0.373 25871 2951 1 5 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.335 0.632 25871 2952 1 5 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.384 -0.438 25871 2953 1 5 . 1 1 773 773 ALA H H 773 7.180 7.180 8.110 -0.930 25871 2954 1 5 . 1 1 774 774 CYS N N 774 121.600 121.600 117.969 3.631 25871 2955 1 5 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.792 0.394 25871 2956 1 5 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.490 0.089 25871 2957 1 5 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.565 -0.535 25871 2958 1 5 . 1 1 774 774 CYS H H 774 7.731 7.731 7.571 0.160 25871 2959 1 5 . 1 1 775 775 LEU N N 775 120.029 120.029 120.286 -0.257 25871 2960 1 5 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.582 0.257 25871 2961 1 5 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.457 0.892 25871 2962 1 5 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.281 -0.753 25871 2963 1 5 . 1 1 775 775 LEU H H 775 8.353 8.353 7.205 1.148 25871 2964 1 5 . 1 1 776 776 ILE N N 776 121.900 121.900 119.119 2.781 25871 2965 1 5 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.146 0.083 25871 2966 1 5 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.456 1.067 25871 2967 1 5 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.642 0.619 25871 2968 1 5 . 1 1 776 776 ILE H H 776 8.405 8.405 7.277 1.128 25871 2969 1 5 . 1 1 777 777 SER N N 777 119.490 119.490 115.991 3.499 25871 2970 1 5 . 1 1 777 777 SER HA H 777 4.435 4.435 4.302 0.133 25871 2971 1 5 . 1 1 777 777 SER CA C 777 61.843 61.843 61.303 0.540 25871 2972 1 5 . 1 1 777 777 SER CB C 777 62.953 62.953 63.042 -0.089 25871 2973 1 5 . 1 1 777 777 SER H H 777 8.144 8.144 7.883 0.261 25871 2974 1 5 . 1 1 778 778 LEU N N 778 122.142 122.142 118.656 3.486 25871 2975 1 5 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.504 0.138 25871 2976 1 5 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.194 -0.117 25871 2977 1 5 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.920 -0.300 25871 2978 1 5 . 1 1 778 778 LEU H H 778 7.644 7.644 7.752 -0.108 25871 2979 1 5 . 1 1 779 779 GLY N N 779 106.613 106.613 106.053 0.560 25871 2980 1 5 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.602 0.548 25871 2981 1 5 . 1 1 779 779 GLY H H 779 7.982 7.982 7.625 0.357 25871 2982 1 5 . 1 1 780 780 TYR N N 780 121.620 121.620 119.460 2.160 25871 2983 1 5 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.550 -0.385 25871 2984 1 5 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.062 2.311 25871 2985 1 5 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.392 -0.998 25871 2986 1 5 . 1 1 780 780 TYR H H 780 8.174 8.174 7.763 0.411 25871 2987 1 5 . 1 1 781 781 ASP N N 781 124.225 124.225 125.763 -1.538 25871 2988 1 5 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.746 -0.057 25871 2989 1 5 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.473 0.092 25871 2990 1 5 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.478 0.637 25871 2991 1 5 . 1 1 781 781 ASP H H 781 8.650 8.650 9.003 -0.353 25871 2992 1 5 . 1 1 782 782 ILE N N 782 123.492 123.492 121.163 2.329 25871 2993 1 5 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.367 -0.118 25871 2994 1 5 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.358 -0.868 25871 2995 1 5 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.128 1.297 25871 2996 1 5 . 1 1 782 782 ILE H H 782 7.300 7.300 7.652 -0.352 25871 2997 1 5 . 1 1 783 783 GLY N N 783 113.404 113.404 111.057 2.347 25871 2998 1 5 . 1 1 783 783 GLY CA C 783 44.630 44.630 44.441 0.189 25871 2999 1 5 . 1 1 783 783 GLY H H 783 8.345 8.345 8.229 0.116 25871 3000 1 5 . 1 1 784 784 ASN N N 784 119.115 119.115 116.090 3.025 25871 3001 1 5 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.261 0.667 25871 3002 1 5 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.887 -1.832 25871 3003 1 5 . 1 1 784 784 ASN CB C 784 37.467 37.467 38.125 -0.658 25871 3004 1 5 . 1 1 784 784 ASN H H 784 8.476 8.476 8.236 0.240 25871 3005 1 5 . 1 1 785 785 ASP N N 785 119.675 119.675 118.365 1.310 25871 3006 1 5 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.818 0.002 25871 3007 1 5 . 1 1 785 785 ASP CA C 785 52.365 52.365 52.897 -0.532 25871 3008 1 5 . 1 1 785 785 ASP CB C 785 39.736 39.736 40.914 -1.178 25871 3009 1 5 . 1 1 785 785 ASP H H 785 8.081 8.081 7.923 0.158 25871 3010 1 5 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.341 -0.035 25871 3011 1 5 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.280 0.933 25871 3012 1 5 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.141 -0.161 25871 3013 1 5 . 1 1 787 787 GLN N N 787 118.154 118.154 118.833 -0.679 25871 3014 1 5 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.292 -0.114 25871 3015 1 5 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.285 1.148 25871 3016 1 5 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.416 0.252 25871 3017 1 5 . 1 1 787 787 GLN H H 787 8.413 8.413 8.704 -0.291 25871 3018 1 5 . 1 1 788 788 GLY N N 788 113.343 113.343 109.301 4.042 25871 3019 1 5 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.831 0.620 25871 3020 1 5 . 1 1 788 788 GLY H H 788 8.644 8.644 8.421 0.223 25871 3021 1 5 . 1 1 789 789 GLU N N 789 121.232 121.232 122.123 -0.891 25871 3022 1 5 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.137 0.024 25871 3023 1 5 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.827 -0.394 25871 3024 1 5 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.504 0.137 25871 3025 1 5 . 1 1 789 789 GLU H H 789 8.539 8.539 8.651 -0.112 25871 3026 1 5 . 1 1 790 790 ALA N N 790 122.805 122.805 121.272 1.533 25871 3027 1 5 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.145 0.128 25871 3028 1 5 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.075 -0.127 25871 3029 1 5 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.396 -0.495 25871 3030 1 5 . 1 1 790 790 ALA H H 790 8.035 8.035 7.595 0.440 25871 3031 1 5 . 1 1 791 791 GLU N N 791 122.504 122.504 117.011 5.493 25871 3032 1 5 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.180 0.569 25871 3033 1 5 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.679 0.787 25871 3034 1 5 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.923 -1.344 25871 3035 1 5 . 1 1 791 791 GLU H H 791 8.309 8.309 7.633 0.676 25871 3036 1 5 . 1 1 792 792 PHE N N 792 119.966 119.966 122.276 -2.310 25871 3037 1 5 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.172 0.026 25871 3038 1 5 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.753 0.866 25871 3039 1 5 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.008 -0.543 25871 3040 1 5 . 1 1 792 792 PHE H H 792 8.835 8.835 8.639 0.196 25871 3041 1 5 . 1 1 793 793 ALA N N 793 119.978 119.978 121.814 -1.836 25871 3042 1 5 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.598 0.308 25871 3043 1 5 . 1 1 793 793 ALA CA C 793 55.020 55.020 54.990 0.030 25871 3044 1 5 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.061 -0.426 25871 3045 1 5 . 1 1 793 793 ALA H H 793 8.147 8.147 8.532 -0.385 25871 3046 1 5 . 1 1 794 794 ARG N N 794 121.286 121.286 117.754 3.532 25871 3047 1 5 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.082 -0.145 25871 3048 1 5 . 1 1 794 794 ARG CA C 794 59.636 59.636 57.805 1.831 25871 3049 1 5 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.829 0.428 25871 3050 1 5 . 1 1 794 794 ARG H H 794 7.953 7.953 7.436 0.517 25871 3051 1 5 . 1 1 795 795 ILE N N 795 121.594 121.594 120.894 0.700 25871 3052 1 5 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.454 -0.143 25871 3053 1 5 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.996 1.181 25871 3054 1 5 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.742 0.592 25871 3055 1 5 . 1 1 795 795 ILE H H 795 8.091 8.091 7.439 0.652 25871 3056 1 5 . 1 1 796 796 MET N N 796 118.593 118.593 117.573 1.020 25871 3057 1 5 . 1 1 796 796 MET HA H 796 4.266 4.266 4.073 0.193 25871 3058 1 5 . 1 1 796 796 MET CA C 796 56.204 56.204 58.976 -2.772 25871 3059 1 5 . 1 1 796 796 MET CB C 796 29.453 29.453 31.852 -2.399 25871 3060 1 5 . 1 1 796 796 MET H H 796 8.543 8.543 8.143 0.400 25871 3061 1 5 . 1 1 797 797 SER N N 797 114.792 114.792 113.677 1.115 25871 3062 1 5 . 1 1 797 797 SER HA H 797 4.131 4.131 4.232 -0.101 25871 3063 1 5 . 1 1 797 797 SER CA C 797 61.233 61.233 61.306 -0.073 25871 3064 1 5 . 1 1 797 797 SER CB C 797 63.017 63.017 63.022 -0.005 25871 3065 1 5 . 1 1 797 797 SER H H 797 7.740 7.740 7.347 0.393 25871 3066 1 5 . 1 1 798 798 ILE N N 798 121.041 121.041 120.091 0.950 25871 3067 1 5 . 1 1 798 798 ILE HA H 798 3.869 3.869 4.051 -0.182 25871 3068 1 5 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.624 0.315 25871 3069 1 5 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.920 -0.029 25871 3070 1 5 . 1 1 798 798 ILE H H 798 7.352 7.352 7.589 -0.237 25871 3071 1 5 . 1 1 799 799 VAL N N 799 110.418 110.418 111.922 -1.504 25871 3072 1 5 . 1 1 799 799 VAL HA H 799 4.211 4.211 4.010 0.201 25871 3073 1 5 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.140 0.044 25871 3074 1 5 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.017 0.393 25871 3075 1 5 . 1 1 799 799 VAL H H 799 7.806 7.806 7.866 -0.060 25871 3076 1 5 . 1 1 800 800 ASP N N 800 119.703 119.703 119.541 0.162 25871 3077 1 5 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.012 0.245 25871 3078 1 5 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.989 -0.254 25871 3079 1 5 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.571 -0.236 25871 3080 1 5 . 1 1 800 800 ASP H H 800 8.124 8.124 7.496 0.628 25871 3081 1 5 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.549 -0.189 25871 3082 1 5 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.073 0.962 25871 3083 1 5 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.056 -0.159 25871 3084 1 5 . 1 1 802 802 ASN N N 802 115.156 115.156 116.323 -1.167 25871 3085 1 5 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.660 0.119 25871 3086 1 5 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.041 0.187 25871 3087 1 5 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.739 -0.525 25871 3088 1 5 . 1 1 802 802 ASN H H 802 8.967 8.967 7.950 1.017 25871 3089 1 5 . 1 1 803 803 ARG N N 803 117.568 117.568 115.566 2.002 25871 3090 1 5 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.131 -0.282 25871 3091 1 5 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.461 0.515 25871 3092 1 5 . 1 1 803 803 ARG CB C 803 26.440 26.440 26.799 -0.359 25871 3093 1 5 . 1 1 803 803 ARG H H 803 8.013 8.013 7.802 0.211 25871 3094 1 5 . 1 1 804 804 LEU N N 804 122.899 122.899 120.015 2.884 25871 3095 1 5 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.196 0.016 25871 3096 1 5 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.932 0.229 25871 3097 1 5 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.248 0.640 25871 3098 1 5 . 1 1 804 804 LEU H H 804 10.338 10.338 8.787 1.551 25871 3099 1 5 . 1 1 805 805 GLY N N 805 110.909 110.909 106.885 4.024 25871 3100 1 5 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.350 -0.069 25871 3101 1 5 . 1 1 805 805 GLY H H 805 10.955 10.955 8.987 1.968 25871 3102 1 5 . 1 1 806 806 VAL N N 806 111.683 111.683 113.028 -1.345 25871 3103 1 5 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.105 -0.522 25871 3104 1 5 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.247 0.168 25871 3105 1 5 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.360 0.943 25871 3106 1 5 . 1 1 806 806 VAL H H 806 6.806 6.806 7.286 -0.480 25871 3107 1 5 . 1 1 807 807 VAL N N 807 123.649 123.649 120.445 3.204 25871 3108 1 5 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.397 -0.211 25871 3109 1 5 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.378 1.302 25871 3110 1 5 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.505 -2.602 25871 3111 1 5 . 1 1 807 807 VAL H H 807 9.156 9.156 8.798 0.358 25871 3112 1 5 . 1 1 808 808 THR N N 808 116.404 116.404 118.002 -1.598 25871 3113 1 5 . 1 1 808 808 THR HA H 808 4.782 4.782 4.775 0.007 25871 3114 1 5 . 1 1 808 808 THR CA C 808 62.526 62.526 60.123 2.404 25871 3115 1 5 . 1 1 808 808 THR CB C 808 69.707 69.707 71.463 -1.756 25871 3116 1 5 . 1 1 808 808 THR H H 808 7.948 7.948 8.162 -0.214 25871 3117 1 5 . 1 1 809 809 PHE N N 809 121.514 121.514 123.505 -1.991 25871 3118 1 5 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.426 -0.924 25871 3119 1 5 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.434 -0.656 25871 3120 1 5 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.853 -0.418 25871 3121 1 5 . 1 1 809 809 PHE H H 809 8.528 8.528 8.177 0.351 25871 3122 1 5 . 1 1 810 810 GLN N N 810 116.869 116.869 118.406 -1.537 25871 3123 1 5 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.690 -0.069 25871 3124 1 5 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.998 0.550 25871 3125 1 5 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.939 0.458 25871 3126 1 5 . 1 1 810 810 GLN H H 810 8.638 8.638 8.271 0.367 25871 3127 1 5 . 1 1 811 811 ALA N N 811 121.318 121.318 122.749 -1.431 25871 3128 1 5 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.982 0.166 25871 3129 1 5 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.624 0.465 25871 3130 1 5 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.608 0.632 25871 3131 1 5 . 1 1 811 811 ALA H H 811 7.795 7.795 7.188 0.607 25871 3132 1 5 . 1 1 812 812 PHE N N 812 119.498 119.498 116.229 3.269 25871 3133 1 5 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.959 0.218 25871 3134 1 5 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.352 1.145 25871 3135 1 5 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.666 0.360 25871 3136 1 5 . 1 1 812 812 PHE H H 812 8.093 8.093 7.609 0.484 25871 3137 1 5 . 1 1 813 813 ILE N N 813 119.554 119.554 117.895 1.659 25871 3138 1 5 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.612 0.533 25871 3139 1 5 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.896 -0.720 25871 3140 1 5 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.654 0.136 25871 3141 1 5 . 1 1 813 813 ILE H H 813 8.316 8.316 6.457 1.859 25871 3142 1 5 . 1 1 814 814 ASP N N 814 123.772 123.772 120.126 3.646 25871 3143 1 5 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.200 0.040 25871 3144 1 5 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.050 0.853 25871 3145 1 5 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.754 -0.512 25871 3146 1 5 . 1 1 814 814 ASP H H 814 8.434 8.434 7.397 1.037 25871 3147 1 5 . 1 1 815 815 PHE N N 815 121.079 121.079 116.188 4.891 25871 3148 1 5 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.611 -0.438 25871 3149 1 5 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.922 2.203 25871 3150 1 5 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.340 0.952 25871 3151 1 5 . 1 1 815 815 PHE H H 815 7.904 7.904 7.090 0.814 25871 3152 1 5 . 1 1 816 816 MET N N 816 117.231 117.231 122.339 -5.108 25871 3153 1 5 . 1 1 816 816 MET HA H 816 3.864 3.864 4.782 -0.918 25871 3154 1 5 . 1 1 816 816 MET CA C 816 55.934 55.934 56.744 -0.810 25871 3155 1 5 . 1 1 816 816 MET CB C 816 30.451 30.451 31.143 -0.692 25871 3156 1 5 . 1 1 816 816 MET H H 816 8.270 8.270 7.330 0.940 25871 3157 1 5 . 1 1 817 817 SER N N 817 114.308 114.308 115.761 -1.453 25871 3158 1 5 . 1 1 817 817 SER HA H 817 4.209 4.209 4.161 0.048 25871 3159 1 5 . 1 1 817 817 SER CA C 817 60.410 60.410 60.765 -0.355 25871 3160 1 5 . 1 1 817 817 SER CB C 817 63.328 63.328 62.795 0.533 25871 3161 1 5 . 1 1 817 817 SER H H 817 8.100 8.100 7.690 0.410 25871 3162 1 5 . 1 1 818 818 ARG N N 818 121.459 121.459 117.593 3.866 25871 3163 1 5 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.398 -0.234 25871 3164 1 5 . 1 1 818 818 ARG CA C 818 57.468 57.468 56.658 0.810 25871 3165 1 5 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.084 0.301 25871 3166 1 5 . 1 1 818 818 ARG H H 818 7.329 7.329 7.928 -0.599 25871 3167 1 5 . 1 1 819 819 GLU N N 819 119.944 119.944 119.369 0.575 25871 3168 1 5 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.374 -0.210 25871 3169 1 5 . 1 1 819 819 GLU CA C 819 57.468 57.468 59.014 -1.546 25871 3170 1 5 . 1 1 819 819 GLU CB C 819 30.526 30.526 30.274 0.252 25871 3171 1 5 . 1 1 819 819 GLU H H 819 8.059 8.059 7.782 0.277 25871 3172 1 5 . 1 1 820 820 THR N N 820 112.658 112.658 111.621 1.037 25871 3173 1 5 . 1 1 820 820 THR HA H 820 4.309 4.309 4.447 -0.138 25871 3174 1 5 . 1 1 820 820 THR CA C 820 62.191 62.191 61.774 0.417 25871 3175 1 5 . 1 1 820 820 THR CB C 820 69.877 69.877 68.729 1.148 25871 3176 1 5 . 1 1 820 820 THR H H 820 7.789 7.789 7.919 -0.130 25871 3177 1 5 . 1 1 821 821 ALA N N 821 126.145 126.145 124.239 1.906 25871 3178 1 5 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.141 0.191 25871 3179 1 5 . 1 1 821 821 ALA CA C 821 52.816 52.816 54.062 -1.246 25871 3180 1 5 . 1 1 821 821 ALA CB C 821 19.459 19.459 19.159 0.300 25871 3181 1 5 . 1 1 821 821 ALA H H 821 8.003 8.003 7.488 0.515 25871 3182 1 5 . 1 1 822 822 ASP N N 822 120.003 120.003 115.128 4.875 25871 3183 1 5 . 1 1 822 822 ASP HA H 822 4.642 4.642 5.020 -0.378 25871 3184 1 5 . 1 1 822 822 ASP CA C 822 54.439 54.439 53.877 0.562 25871 3185 1 5 . 1 1 822 822 ASP CB C 822 40.866 40.866 44.868 -4.002 25871 3186 1 5 . 1 1 822 822 ASP H H 822 8.330 8.330 7.935 0.395 25871 3187 1 5 . 1 1 823 823 THR N N 823 114.181 114.181 114.847 -0.666 25871 3188 1 5 . 1 1 823 823 THR HA H 823 4.304 4.304 4.567 -0.263 25871 3189 1 5 . 1 1 823 823 THR CA C 823 62.284 62.284 61.436 0.848 25871 3190 1 5 . 1 1 823 823 THR CB C 823 69.738 69.738 71.292 -1.554 25871 3191 1 5 . 1 1 823 823 THR H H 823 8.093 8.093 8.161 -0.068 25871 3192 1 5 . 1 1 824 824 ASP N N 824 123.285 123.285 123.548 -0.263 25871 3193 1 5 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.801 -0.150 25871 3194 1 5 . 1 1 824 824 ASP CA C 824 54.595 54.595 52.883 1.712 25871 3195 1 5 . 1 1 824 824 ASP CB C 824 41.145 41.145 42.696 -1.551 25871 3196 1 5 . 1 1 824 824 ASP H H 824 8.426 8.426 8.466 -0.040 25871 3197 1 5 . 1 1 825 825 THR N N 825 114.970 114.970 114.633 0.337 25871 3198 1 5 . 1 1 825 825 THR HA H 825 4.313 4.313 4.015 0.298 25871 3199 1 5 . 1 1 825 825 THR CA C 825 62.329 62.329 64.732 -2.403 25871 3200 1 5 . 1 1 825 825 THR CB C 825 69.541 69.541 68.792 0.749 25871 3201 1 5 . 1 1 825 825 THR H H 825 8.157 8.157 8.378 -0.221 25871 3202 1 5 . 1 1 826 826 ALA N N 826 124.991 124.991 123.135 1.856 25871 3203 1 5 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.267 -0.066 25871 3204 1 5 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.676 -0.203 25871 3205 1 5 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.583 0.113 25871 3206 1 5 . 1 1 826 826 ALA H H 826 8.374 8.374 8.632 -0.258 25871 3207 1 5 . 1 1 827 827 ASP N N 827 117.795 117.795 118.889 -1.094 25871 3208 1 5 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.431 0.031 25871 3209 1 5 . 1 1 827 827 ASP CA C 827 56.151 56.151 56.641 -0.490 25871 3210 1 5 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.829 0.100 25871 3211 1 5 . 1 1 827 827 ASP H H 827 8.255 8.255 7.999 0.256 25871 3212 1 5 . 1 1 828 828 GLN N N 828 120.646 120.646 119.501 1.145 25871 3213 1 5 . 1 1 828 828 GLN HA H 828 4.121 4.121 3.940 0.181 25871 3214 1 5 . 1 1 828 828 GLN CA C 828 57.950 57.950 59.156 -1.206 25871 3215 1 5 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.773 -0.187 25871 3216 1 5 . 1 1 828 828 GLN H H 828 8.086 8.086 7.758 0.328 25871 3217 1 5 . 1 1 829 829 VAL N N 829 120.933 120.933 119.549 1.384 25871 3218 1 5 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.594 -0.043 25871 3219 1 5 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.692 0.629 25871 3220 1 5 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.677 0.073 25871 3221 1 5 . 1 1 829 829 VAL H H 829 8.048 8.048 7.481 0.567 25871 3222 1 5 . 1 1 830 830 MET N N 830 119.386 119.386 120.851 -1.465 25871 3223 1 5 . 1 1 830 830 MET HA H 830 4.030 4.030 4.393 -0.363 25871 3224 1 5 . 1 1 830 830 MET CA C 830 58.013 58.013 59.146 -1.133 25871 3225 1 5 . 1 1 830 830 MET CB C 830 32.110 32.110 32.761 -0.651 25871 3226 1 5 . 1 1 830 830 MET H H 830 8.088 8.088 7.736 0.352 25871 3227 1 5 . 1 1 831 831 ALA N N 831 121.027 121.027 120.926 0.101 25871 3228 1 5 . 1 1 831 831 ALA HA H 831 4.075 4.075 4.012 0.063 25871 3229 1 5 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.101 -0.482 25871 3230 1 5 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.208 -0.082 25871 3231 1 5 . 1 1 831 831 ALA H H 831 7.829 7.829 8.661 -0.832 25871 3232 1 5 . 1 1 832 832 SER N N 832 114.314 114.314 115.276 -0.962 25871 3233 1 5 . 1 1 832 832 SER HA H 832 4.181 4.181 4.088 0.093 25871 3234 1 5 . 1 1 832 832 SER CA C 832 61.039 61.039 62.109 -1.070 25871 3235 1 5 . 1 1 832 832 SER CB C 832 62.671 62.671 62.821 -0.150 25871 3236 1 5 . 1 1 832 832 SER H H 832 7.711 7.711 7.441 0.271 25871 3237 1 5 . 1 1 833 833 PHE N N 833 121.898 121.898 120.061 1.837 25871 3238 1 5 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.106 0.124 25871 3239 1 5 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.225 -0.791 25871 3240 1 5 . 1 1 833 833 PHE CB C 833 38.249 38.249 38.122 0.127 25871 3241 1 5 . 1 1 833 833 PHE H H 833 7.717 7.717 7.433 0.284 25871 3242 1 5 . 1 1 834 834 LYS N N 834 118.752 118.752 119.390 -0.638 25871 3243 1 5 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.965 -0.343 25871 3244 1 5 . 1 1 834 834 LYS CA C 834 59.425 59.425 58.988 0.437 25871 3245 1 5 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.217 -0.033 25871 3246 1 5 . 1 1 834 834 LYS H H 834 7.844 7.844 7.829 0.015 25871 3247 1 5 . 1 1 835 835 ILE N N 835 118.528 118.528 116.753 1.775 25871 3248 1 5 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.821 -0.051 25871 3249 1 5 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.544 -0.825 25871 3250 1 5 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.165 -0.259 25871 3251 1 5 . 1 1 835 835 ILE H H 835 7.311 7.311 7.216 0.095 25871 3252 1 5 . 1 1 836 836 LEU N N 836 121.176 121.176 117.568 3.608 25871 3253 1 5 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.368 -0.378 25871 3254 1 5 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.708 0.458 25871 3255 1 5 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.705 0.791 25871 3256 1 5 . 1 1 836 836 LEU H H 836 7.617 7.617 7.311 0.306 25871 3257 1 5 . 1 1 837 837 ALA N N 837 119.189 119.189 119.675 -0.486 25871 3258 1 5 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.521 -0.597 25871 3259 1 5 . 1 1 837 837 ALA CA C 837 53.417 53.417 50.916 2.501 25871 3260 1 5 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.584 0.808 25871 3261 1 5 . 1 1 837 837 ALA H H 837 8.092 8.092 8.136 -0.044 25871 3262 1 5 . 1 1 838 838 GLY N N 838 106.965 106.965 108.753 -1.788 25871 3263 1 5 . 1 1 838 838 GLY CA C 838 47.029 47.029 47.036 -0.007 25871 3264 1 5 . 1 1 838 838 GLY H H 838 7.667 7.667 7.871 -0.204 25871 3265 1 5 . 1 1 839 839 ASP N N 839 122.392 122.392 119.912 2.480 25871 3266 1 5 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.612 -0.095 25871 3267 1 5 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.408 -0.827 25871 3268 1 5 . 1 1 839 839 ASP CB C 839 40.584 40.584 40.976 -0.392 25871 3269 1 5 . 1 1 839 839 ASP H H 839 8.703 8.703 8.588 0.115 25871 3270 1 5 . 1 1 840 840 LYS N N 840 117.603 117.603 117.196 0.407 25871 3271 1 5 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.676 -0.344 25871 3272 1 5 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.616 1.351 25871 3273 1 5 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.207 -1.456 25871 3274 1 5 . 1 1 840 840 LYS H H 840 7.592 7.592 7.670 -0.078 25871 3275 1 5 . 1 1 841 841 ASN N N 841 116.654 116.654 116.708 -0.054 25871 3276 1 5 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.949 -0.307 25871 3277 1 5 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.012 0.684 25871 3278 1 5 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.041 0.215 25871 3279 1 5 . 1 1 841 841 ASN H H 841 8.689 8.689 8.936 -0.247 25871 3280 1 5 . 1 1 842 842 TYR N N 842 112.231 112.231 113.304 -1.073 25871 3281 1 5 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.893 0.120 25871 3282 1 5 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.002 -1.869 25871 3283 1 5 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.166 1.462 25871 3284 1 5 . 1 1 842 842 TYR H H 842 6.638 6.638 7.255 -0.617 25871 3285 1 5 . 1 1 843 843 ILE N N 843 115.455 115.455 119.114 -3.659 25871 3286 1 5 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.451 0.349 25871 3287 1 5 . 1 1 843 843 ILE CA C 843 59.462 59.462 58.910 0.552 25871 3288 1 5 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.758 0.711 25871 3289 1 5 . 1 1 843 843 ILE H H 843 8.626 8.626 9.066 -0.440 25871 3290 1 5 . 1 1 844 844 THR N N 844 117.140 117.140 115.966 1.174 25871 3291 1 5 . 1 1 844 844 THR HA H 844 5.393 5.393 5.265 0.128 25871 3292 1 5 . 1 1 844 844 THR CA C 844 60.380 60.380 59.736 0.644 25871 3293 1 5 . 1 1 844 844 THR CB C 844 71.475 71.475 71.310 0.165 25871 3294 1 5 . 1 1 844 844 THR H H 844 9.329 9.329 8.857 0.472 25871 3295 1 5 . 1 1 845 845 MET N N 845 119.879 119.879 119.541 0.338 25871 3296 1 5 . 1 1 845 845 MET HA H 845 3.852 3.852 4.076 -0.224 25871 3297 1 5 . 1 1 845 845 MET CA C 845 60.389 60.389 60.205 0.184 25871 3298 1 5 . 1 1 845 845 MET CB C 845 33.110 33.110 32.375 0.735 25871 3299 1 5 . 1 1 845 845 MET H H 845 8.555 8.555 8.811 -0.256 25871 3300 1 5 . 1 1 846 846 ASP N N 846 116.360 116.360 119.199 -2.839 25871 3301 1 5 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.390 -0.080 25871 3302 1 5 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.271 0.218 25871 3303 1 5 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.863 -0.191 25871 3304 1 5 . 1 1 846 846 ASP H H 846 8.375 8.375 8.424 -0.049 25871 3305 1 5 . 1 1 847 847 GLU N N 847 120.575 120.575 119.973 0.602 25871 3306 1 5 . 1 1 847 847 GLU HA H 847 3.886 3.886 3.992 -0.106 25871 3307 1 5 . 1 1 847 847 GLU CA C 847 59.754 59.754 59.334 0.420 25871 3308 1 5 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.841 -0.084 25871 3309 1 5 . 1 1 847 847 GLU H H 847 7.852 7.852 7.555 0.297 25871 3310 1 5 . 1 1 848 848 LEU N N 848 118.753 118.753 117.585 1.168 25871 3311 1 5 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.190 -0.330 25871 3312 1 5 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.119 0.564 25871 3313 1 5 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.350 1.173 25871 3314 1 5 . 1 1 848 848 LEU H H 848 7.834 7.834 7.976 -0.142 25871 3315 1 5 . 1 1 849 849 ARG N N 849 113.976 113.976 118.141 -4.165 25871 3316 1 5 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.134 -0.174 25871 3317 1 5 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.681 -0.085 25871 3318 1 5 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.087 0.058 25871 3319 1 5 . 1 1 849 849 ARG H H 849 8.055 8.055 7.624 0.431 25871 3320 1 5 . 1 1 850 850 ARG N N 850 118.184 118.184 118.623 -0.439 25871 3321 1 5 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.200 0.031 25871 3322 1 5 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.700 -0.321 25871 3323 1 5 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.795 1.318 25871 3324 1 5 . 1 1 850 850 ARG H H 850 7.739 7.739 7.911 -0.172 25871 3325 1 5 . 1 1 851 851 GLU N N 851 115.550 115.550 119.349 -3.799 25871 3326 1 5 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.236 0.144 25871 3327 1 5 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.306 -1.312 25871 3328 1 5 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.386 1.299 25871 3329 1 5 . 1 1 851 851 GLU H H 851 7.591 7.591 7.735 -0.144 25871 3330 1 5 . 1 1 852 852 LEU N N 852 119.170 119.170 119.643 -0.473 25871 3331 1 5 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.872 0.054 25871 3332 1 5 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.220 0.071 25871 3333 1 5 . 1 1 852 852 LEU CB C 852 42.638 42.638 42.058 0.580 25871 3334 1 5 . 1 1 852 852 LEU H H 852 7.891 7.891 7.639 0.252 25871 3335 1 5 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.634 -0.329 25871 3336 1 5 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.327 4.075 25871 3337 1 5 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.240 0.084 25871 3338 1 5 . 1 1 855 855 ASP N N 855 114.853 114.853 118.292 -3.439 25871 3339 1 5 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.287 0.092 25871 3340 1 5 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.409 -0.351 25871 3341 1 5 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.207 -0.968 25871 3342 1 5 . 1 1 855 855 ASP H H 855 8.796 8.796 8.609 0.187 25871 3343 1 5 . 1 1 856 856 GLN N N 856 121.513 121.513 118.417 3.096 25871 3344 1 5 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.910 0.330 25871 3345 1 5 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.486 -0.103 25871 3346 1 5 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.829 1.514 25871 3347 1 5 . 1 1 856 856 GLN H H 856 7.471 7.471 8.375 -0.904 25871 3348 1 5 . 1 1 857 857 ALA N N 857 122.821 122.821 121.920 0.901 25871 3349 1 5 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.044 -0.214 25871 3350 1 5 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.916 0.489 25871 3351 1 5 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.321 -0.337 25871 3352 1 5 . 1 1 857 857 ALA H H 857 8.889 8.889 8.068 0.821 25871 3353 1 5 . 1 1 858 858 GLU N N 858 114.091 114.091 118.986 -4.895 25871 3354 1 5 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.055 0.001 25871 3355 1 5 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.664 -0.883 25871 3356 1 5 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.603 -0.936 25871 3357 1 5 . 1 1 858 858 GLU H H 858 8.143 8.143 7.768 0.375 25871 3358 1 5 . 1 1 859 859 TYR N N 859 120.670 120.670 119.111 1.559 25871 3359 1 5 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.271 -0.144 25871 3360 1 5 . 1 1 859 859 TYR CA C 859 61.148 61.148 60.807 0.341 25871 3361 1 5 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.916 0.822 25871 3362 1 5 . 1 1 859 859 TYR H H 859 7.708 7.708 8.616 -0.908 25871 3363 1 5 . 1 1 860 860 CYS N N 860 115.848 115.848 118.727 -2.879 25871 3364 1 5 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.002 0.186 25871 3365 1 5 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.223 0.215 25871 3366 1 5 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.241 0.224 25871 3367 1 5 . 1 1 860 860 CYS H H 860 8.119 8.119 8.062 0.057 25871 3368 1 5 . 1 1 861 861 ILE N N 861 120.124 120.124 120.859 -0.735 25871 3369 1 5 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.584 -0.220 25871 3370 1 5 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.819 -0.087 25871 3371 1 5 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.738 0.984 25871 3372 1 5 . 1 1 861 861 ILE H H 861 8.451 8.451 8.238 0.213 25871 3373 1 5 . 1 1 862 862 ALA N N 862 116.691 116.691 120.360 -3.669 25871 3374 1 5 . 1 1 862 862 ALA HA H 862 4.250 4.250 3.937 0.313 25871 3375 1 5 . 1 1 862 862 ALA CA C 862 53.428 53.428 54.169 -0.741 25871 3376 1 5 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.300 0.774 25871 3377 1 5 . 1 1 862 862 ALA H H 862 7.304 7.304 7.896 -0.592 25871 3378 1 5 . 1 1 863 863 ARG N N 863 117.259 117.259 116.837 0.422 25871 3379 1 5 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.239 0.053 25871 3380 1 5 . 1 1 863 863 ARG CA C 863 56.439 56.439 56.332 0.107 25871 3381 1 5 . 1 1 863 863 ARG CB C 863 31.458 31.458 30.878 0.580 25871 3382 1 5 . 1 1 863 863 ARG H H 863 7.357 7.357 7.359 -0.002 25871 3383 1 5 . 1 1 864 864 MET N N 864 117.570 117.570 118.039 -0.469 25871 3384 1 5 . 1 1 864 864 MET HA H 864 4.598 4.598 4.120 0.478 25871 3385 1 5 . 1 1 864 864 MET CA C 864 55.180 55.180 56.729 -1.549 25871 3386 1 5 . 1 1 864 864 MET CB C 864 37.428 37.428 33.850 3.578 25871 3387 1 5 . 1 1 864 864 MET H H 864 7.147 7.147 7.859 -0.712 25871 3388 1 5 . 1 1 865 865 ALA N N 865 124.616 124.616 123.408 1.208 25871 3389 1 5 . 1 1 865 865 ALA HA H 865 3.933 3.933 5.048 -1.115 25871 3390 1 5 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.050 0.230 25871 3391 1 5 . 1 1 865 865 ALA CB C 865 18.649 18.649 19.008 -0.359 25871 3392 1 5 . 1 1 865 865 ALA H H 865 8.548 8.548 8.276 0.272 25871 3393 1 5 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.504 0.015 25871 3394 1 5 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.517 0.304 25871 3395 1 5 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.298 -0.307 25871 3396 1 5 . 1 1 867 867 TYR N N 867 122.454 122.454 122.632 -0.178 25871 3397 1 5 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.637 -0.482 25871 3398 1 5 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.996 -1.046 25871 3399 1 5 . 1 1 867 867 TYR CB C 867 43.347 43.347 40.815 2.532 25871 3400 1 5 . 1 1 867 867 TYR H H 867 8.127 8.127 8.117 0.010 25871 3401 1 5 . 1 1 869 869 GLY N N 869 105.881 105.881 109.160 -3.279 25871 3402 1 5 . 1 1 869 869 GLY CA C 869 45.090 45.090 43.052 2.038 25871 3403 1 5 . 1 1 869 869 GLY H H 869 5.440 5.440 6.270 -0.830 25871 3404 1 5 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.357 0.004 25871 3405 1 5 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.613 0.228 25871 3406 1 5 . 1 1 870 870 PRO CB C 870 31.630 31.630 31.930 -0.300 25871 3407 1 5 . 1 1 871 871 ASP N N 871 116.217 116.217 119.196 -2.979 25871 3408 1 5 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.946 -0.310 25871 3409 1 5 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.764 -0.814 25871 3410 1 5 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.885 -1.735 25871 3411 1 5 . 1 1 871 871 ASP H H 871 9.263 9.263 8.121 1.142 25871 3412 1 5 . 1 1 872 872 SER N N 872 112.352 112.352 115.778 -3.426 25871 3413 1 5 . 1 1 872 872 SER HA H 872 3.530 3.530 4.367 -0.837 25871 3414 1 5 . 1 1 872 872 SER CA C 872 59.184 59.184 59.202 -0.018 25871 3415 1 5 . 1 1 872 872 SER CB C 872 63.286 63.286 64.127 -0.841 25871 3416 1 5 . 1 1 872 872 SER H H 872 7.487 7.487 7.640 -0.153 25871 3417 1 5 . 1 1 873 873 VAL N N 873 113.588 113.588 115.306 -1.718 25871 3418 1 5 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.644 0.109 25871 3419 1 5 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.396 -0.328 25871 3420 1 5 . 1 1 873 873 VAL CB C 873 32.917 32.917 32.273 0.644 25871 3421 1 5 . 1 1 873 873 VAL H H 873 6.411 6.411 7.795 -1.384 25871 3422 1 5 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.413 -0.083 25871 3423 1 5 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.711 -0.401 25871 3424 1 5 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.645 -0.022 25871 3425 1 5 . 1 1 875 875 GLY N N 875 112.109 112.109 105.081 7.028 25871 3426 1 5 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.567 0.925 25871 3427 1 5 . 1 1 875 875 GLY H H 875 8.798 8.798 8.019 0.779 25871 3428 1 5 . 1 1 876 876 ALA N N 876 120.267 120.267 124.200 -3.933 25871 3429 1 5 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.353 -1.216 25871 3430 1 5 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.675 2.588 25871 3431 1 5 . 1 1 876 876 ALA CB C 876 20.554 20.554 21.023 -0.469 25871 3432 1 5 . 1 1 876 876 ALA H H 876 7.762 7.762 7.869 -0.107 25871 3433 1 5 . 1 1 877 877 LEU N N 877 125.696 125.696 122.931 2.765 25871 3434 1 5 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.076 -0.272 25871 3435 1 5 . 1 1 877 877 LEU CA C 877 54.292 54.292 54.012 0.280 25871 3436 1 5 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.800 -1.959 25871 3437 1 5 . 1 1 877 877 LEU H H 877 9.598 9.598 9.382 0.216 25871 3438 1 5 . 1 1 878 878 ASP N N 878 119.836 119.836 122.984 -3.148 25871 3439 1 5 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.068 -0.149 25871 3440 1 5 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.792 -0.662 25871 3441 1 5 . 1 1 878 878 ASP CB C 878 40.798 40.798 42.074 -1.276 25871 3442 1 5 . 1 1 878 878 ASP H H 878 9.028 9.028 8.798 0.230 25871 3443 1 5 . 1 1 879 879 TYR N N 879 126.600 126.600 124.840 1.760 25871 3444 1 5 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.247 0.371 25871 3445 1 5 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.661 -0.104 25871 3446 1 5 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.098 -0.574 25871 3447 1 5 . 1 1 879 879 TYR H H 879 7.454 7.454 8.043 -0.589 25871 3448 1 5 . 1 1 880 880 MET N N 880 119.910 119.910 117.853 2.057 25871 3449 1 5 . 1 1 880 880 MET HA H 880 4.619 4.619 3.769 0.850 25871 3450 1 5 . 1 1 880 880 MET CA C 880 56.205 56.205 58.000 -1.795 25871 3451 1 5 . 1 1 880 880 MET CB C 880 32.338 32.338 32.190 0.148 25871 3452 1 5 . 1 1 880 880 MET H H 880 7.620 7.620 7.348 0.272 25871 3453 1 5 . 1 1 881 881 SER N N 881 114.353 114.353 114.649 -0.296 25871 3454 1 5 . 1 1 881 881 SER HA H 881 4.501 4.501 4.354 0.147 25871 3455 1 5 . 1 1 881 881 SER CA C 881 58.957 58.957 59.604 -0.647 25871 3456 1 5 . 1 1 881 881 SER CB C 881 64.284 64.284 63.136 1.148 25871 3457 1 5 . 1 1 881 881 SER H H 881 7.721 7.721 7.901 -0.180 25871 3458 1 5 . 1 1 882 882 PHE N N 882 122.746 122.746 123.418 -0.672 25871 3459 1 5 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.584 0.165 25871 3460 1 5 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.202 -0.751 25871 3461 1 5 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.607 1.689 25871 3462 1 5 . 1 1 882 882 PHE H H 882 7.386 7.386 7.514 -0.128 25871 3463 1 5 . 1 1 883 883 SER N N 883 120.214 120.214 114.188 6.026 25871 3464 1 5 . 1 1 883 883 SER HA H 883 4.338 4.338 3.908 0.430 25871 3465 1 5 . 1 1 883 883 SER CA C 883 57.455 57.455 60.699 -3.244 25871 3466 1 5 . 1 1 883 883 SER CB C 883 64.684 64.684 62.668 2.016 25871 3467 1 5 . 1 1 883 883 SER H H 883 7.464 7.464 8.485 -1.021 25871 3468 1 5 . 1 1 884 884 THR N N 884 110.671 110.671 111.375 -0.704 25871 3469 1 5 . 1 1 884 884 THR HA H 884 4.008 4.008 4.405 -0.397 25871 3470 1 5 . 1 1 884 884 THR CA C 884 63.367 63.367 62.220 1.147 25871 3471 1 5 . 1 1 884 884 THR CB C 884 69.088 69.088 70.190 -1.102 25871 3472 1 5 . 1 1 884 884 THR H H 884 7.993 7.993 7.840 0.153 25871 3473 1 5 . 1 1 885 885 ALA N N 885 125.453 125.453 122.841 2.612 25871 3474 1 5 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.611 -0.341 25871 3475 1 5 . 1 1 885 885 ALA CA C 885 52.160 52.160 51.879 0.281 25871 3476 1 5 . 1 1 885 885 ALA CB C 885 19.310 19.310 20.657 -1.347 25871 3477 1 5 . 1 1 885 885 ALA H H 885 7.905 7.905 7.479 0.426 25871 3478 1 5 . 1 1 886 886 LEU N N 886 120.791 120.791 115.656 5.135 25871 3479 1 5 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.563 -1.516 25871 3480 1 5 . 1 1 886 886 LEU CA C 886 55.496 55.496 54.273 1.222 25871 3481 1 5 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.273 -2.934 25871 3482 1 5 . 1 1 886 886 LEU H H 886 8.087 8.087 8.223 -0.136 25871 3483 1 5 . 1 1 887 887 TYR N N 887 121.620 121.620 117.035 4.585 25871 3484 1 5 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.940 -0.537 25871 3485 1 5 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.553 1.241 25871 3486 1 5 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.300 -0.679 25871 3487 1 5 . 1 1 887 887 TYR H H 887 8.272 8.272 8.460 -0.188 25871 3488 1 5 . 1 1 888 888 GLY N N 888 112.443 112.443 110.400 2.043 25871 3489 1 5 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.614 0.581 25871 3490 1 5 . 1 1 888 888 GLY H H 888 8.087 8.087 7.599 0.488 25871 3491 1 5 . 1 1 889 889 GLU N N 889 120.272 120.272 120.088 0.184 25871 3492 1 5 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.349 -0.054 25871 3493 1 5 . 1 1 889 889 GLU CA C 889 56.593 56.593 55.994 0.599 25871 3494 1 5 . 1 1 889 889 GLU CB C 889 30.601 30.601 29.822 0.779 25871 3495 1 5 . 1 1 889 889 GLU H H 889 7.991 7.991 7.466 0.525 25871 3496 1 5 . 1 1 890 890 SER N N 890 116.330 116.330 119.727 -3.397 25871 3497 1 5 . 1 1 890 890 SER HA H 890 4.452 4.452 4.433 0.019 25871 3498 1 5 . 1 1 890 890 SER CA C 890 58.334 58.334 58.424 -0.090 25871 3499 1 5 . 1 1 890 890 SER CB C 890 64.174 64.174 63.782 0.392 25871 3500 1 5 . 1 1 890 890 SER H H 890 8.325 8.325 8.424 -0.099 25871 3501 1 5 . 1 1 891 891 ASP N N 891 122.987 122.987 120.633 2.354 25871 3502 1 5 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.342 0.310 25871 3503 1 5 . 1 1 891 891 ASP CA C 891 54.534 54.534 55.267 -0.733 25871 3504 1 5 . 1 1 891 891 ASP CB C 891 40.981 40.981 39.663 1.318 25871 3505 1 5 . 1 1 891 891 ASP H H 891 8.387 8.387 8.102 0.285 25871 3506 1 6 . 1 1 743 743 ILE N N 743 122.085 122.085 121.489 0.596 25871 3507 1 6 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.214 0.142 25871 3508 1 6 . 1 1 743 743 ILE CA C 743 60.624 60.624 61.728 -1.104 25871 3509 1 6 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.547 0.476 25871 3510 1 6 . 1 1 743 743 ILE H H 743 8.122 8.122 7.669 0.453 25871 3511 1 6 . 1 1 744 744 SER N N 744 123.378 123.378 123.946 -0.568 25871 3512 1 6 . 1 1 744 744 SER HA H 744 4.472 4.472 4.783 -0.311 25871 3513 1 6 . 1 1 744 744 SER CA C 744 57.581 57.581 57.051 0.530 25871 3514 1 6 . 1 1 744 744 SER CB C 744 65.276 65.276 65.206 0.070 25871 3515 1 6 . 1 1 744 744 SER H H 744 8.844 8.844 8.407 0.437 25871 3516 1 6 . 1 1 745 745 GLN N N 745 121.612 121.612 120.659 0.953 25871 3517 1 6 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.124 -0.146 25871 3518 1 6 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.071 -0.184 25871 3519 1 6 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.613 -0.087 25871 3520 1 6 . 1 1 745 745 GLN H H 745 9.035 9.035 8.998 0.037 25871 3521 1 6 . 1 1 746 746 GLU N N 746 118.618 118.618 118.179 0.439 25871 3522 1 6 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.137 -0.103 25871 3523 1 6 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.739 1.558 25871 3524 1 6 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.816 0.128 25871 3525 1 6 . 1 1 746 746 GLU H H 746 8.718 8.718 8.654 0.064 25871 3526 1 6 . 1 1 747 747 GLN N N 747 120.436 120.436 120.122 0.314 25871 3527 1 6 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.236 -0.412 25871 3528 1 6 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.913 -0.409 25871 3529 1 6 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.223 -0.268 25871 3530 1 6 . 1 1 747 747 GLN H H 747 7.821 7.821 8.018 -0.197 25871 3531 1 6 . 1 1 748 748 MET N N 748 119.174 119.174 117.367 1.807 25871 3532 1 6 . 1 1 748 748 MET HA H 748 4.228 4.228 4.517 -0.289 25871 3533 1 6 . 1 1 748 748 MET CA C 748 58.305 58.305 59.283 -0.979 25871 3534 1 6 . 1 1 748 748 MET CB C 748 30.922 30.922 32.243 -1.321 25871 3535 1 6 . 1 1 748 748 MET H H 748 8.477 8.477 8.284 0.193 25871 3536 1 6 . 1 1 749 749 ASN N N 749 117.610 117.610 119.559 -1.949 25871 3537 1 6 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.444 0.061 25871 3538 1 6 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.772 -0.810 25871 3539 1 6 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.398 -0.493 25871 3540 1 6 . 1 1 749 749 ASN H H 749 8.302 8.302 7.990 0.312 25871 3541 1 6 . 1 1 750 750 GLU N N 750 122.737 122.737 120.165 2.572 25871 3542 1 6 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.092 0.154 25871 3543 1 6 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.676 0.849 25871 3544 1 6 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.047 0.362 25871 3545 1 6 . 1 1 750 750 GLU H H 750 7.789 7.789 7.930 -0.141 25871 3546 1 6 . 1 1 751 751 PHE N N 751 120.358 120.358 121.689 -1.331 25871 3547 1 6 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.347 0.631 25871 3548 1 6 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.491 -3.848 25871 3549 1 6 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.949 -1.471 25871 3550 1 6 . 1 1 751 751 PHE H H 751 8.772 8.772 8.489 0.283 25871 3551 1 6 . 1 1 752 752 ARG N N 752 120.173 120.173 119.428 0.745 25871 3552 1 6 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.288 -0.141 25871 3553 1 6 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.874 -3.073 25871 3554 1 6 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.091 0.271 25871 3555 1 6 . 1 1 752 752 ARG H H 752 8.990 8.990 8.710 0.280 25871 3556 1 6 . 1 1 753 753 ALA N N 753 120.965 120.965 121.963 -0.998 25871 3557 1 6 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.210 0.045 25871 3558 1 6 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.089 0.336 25871 3559 1 6 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.114 -0.102 25871 3560 1 6 . 1 1 753 753 ALA H H 753 8.136 8.136 8.507 -0.371 25871 3561 1 6 . 1 1 754 754 SER N N 754 115.350 115.350 115.225 0.125 25871 3562 1 6 . 1 1 754 754 SER HA H 754 4.451 4.451 4.349 0.102 25871 3563 1 6 . 1 1 754 754 SER CA C 754 63.045 63.045 61.594 1.451 25871 3564 1 6 . 1 1 754 754 SER CB C 754 63.111 63.111 63.316 -0.205 25871 3565 1 6 . 1 1 754 754 SER H H 754 8.366 8.366 8.442 -0.076 25871 3566 1 6 . 1 1 755 755 PHE N N 755 121.902 121.902 121.976 -0.074 25871 3567 1 6 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.287 -0.301 25871 3568 1 6 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.502 1.851 25871 3569 1 6 . 1 1 755 755 PHE CB C 755 40.165 40.165 38.986 1.179 25871 3570 1 6 . 1 1 755 755 PHE H H 755 8.498 8.498 8.339 0.159 25871 3571 1 6 . 1 1 756 756 ASN N N 756 114.071 114.071 117.744 -3.673 25871 3572 1 6 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.713 0.817 25871 3573 1 6 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.341 0.463 25871 3574 1 6 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.499 -0.566 25871 3575 1 6 . 1 1 756 756 ASN H H 756 8.722 8.722 8.088 0.634 25871 3576 1 6 . 1 1 757 757 HIS N N 757 119.524 119.524 119.213 0.311 25871 3577 1 6 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.305 -0.183 25871 3578 1 6 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.746 -0.276 25871 3579 1 6 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.035 0.013 25871 3580 1 6 . 1 1 757 757 HIS H H 757 8.027 8.027 8.072 -0.045 25871 3581 1 6 . 1 1 758 758 PHE N N 758 113.439 113.439 117.348 -3.909 25871 3582 1 6 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.360 -0.253 25871 3583 1 6 . 1 1 758 758 PHE CA C 758 60.068 60.068 60.386 -0.318 25871 3584 1 6 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.469 0.519 25871 3585 1 6 . 1 1 758 758 PHE H H 758 7.322 7.322 8.404 -1.082 25871 3586 1 6 . 1 1 759 759 ASP N N 759 121.632 121.632 119.456 2.176 25871 3587 1 6 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.797 -0.181 25871 3588 1 6 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.435 0.173 25871 3589 1 6 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.071 -0.390 25871 3590 1 6 . 1 1 759 759 ASP H H 759 7.439 7.439 8.356 -0.917 25871 3591 1 6 . 1 1 760 760 ARG N N 760 123.429 123.429 122.119 1.310 25871 3592 1 6 . 1 1 760 760 ARG HA H 760 3.825 3.825 4.205 -0.380 25871 3593 1 6 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.603 1.028 25871 3594 1 6 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.218 -0.145 25871 3595 1 6 . 1 1 760 760 ARG H H 760 7.797 7.797 7.753 0.044 25871 3596 1 6 . 1 1 761 761 ASP N N 761 115.027 115.027 118.272 -3.245 25871 3597 1 6 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.501 -0.020 25871 3598 1 6 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.233 -0.755 25871 3599 1 6 . 1 1 761 761 ASP CB C 761 39.500 39.500 40.571 -1.071 25871 3600 1 6 . 1 1 761 761 ASP H H 761 8.470 8.470 7.805 0.665 25871 3601 1 6 . 1 1 762 762 HIS N N 762 117.442 117.442 113.593 3.849 25871 3602 1 6 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.406 -0.169 25871 3603 1 6 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.128 0.365 25871 3604 1 6 . 1 1 762 762 HIS CB C 762 26.581 26.581 26.956 -0.375 25871 3605 1 6 . 1 1 762 762 HIS H H 762 7.716 7.716 7.679 0.037 25871 3606 1 6 . 1 1 763 763 SER N N 763 117.624 117.624 115.560 2.064 25871 3607 1 6 . 1 1 763 763 SER HA H 763 4.441 4.441 4.196 0.245 25871 3608 1 6 . 1 1 763 763 SER CA C 763 59.706 59.706 59.579 0.127 25871 3609 1 6 . 1 1 763 763 SER CB C 763 65.228 65.228 64.059 1.169 25871 3610 1 6 . 1 1 763 763 SER H H 763 9.708 9.708 8.301 1.407 25871 3611 1 6 . 1 1 764 764 GLY N N 764 117.320 117.320 110.405 6.915 25871 3612 1 6 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.697 0.062 25871 3613 1 6 . 1 1 764 764 GLY H H 764 11.185 11.185 9.386 1.799 25871 3614 1 6 . 1 1 765 765 THR N N 765 110.392 110.392 110.637 -0.245 25871 3615 1 6 . 1 1 765 765 THR HA H 765 5.197 5.197 5.264 -0.067 25871 3616 1 6 . 1 1 765 765 THR CA C 765 59.125 59.125 60.209 -1.084 25871 3617 1 6 . 1 1 765 765 THR CB C 765 73.022 73.022 72.219 0.803 25871 3618 1 6 . 1 1 765 765 THR H H 765 7.972 7.972 7.571 0.401 25871 3619 1 6 . 1 1 766 766 LEU N N 766 117.658 117.658 120.164 -2.506 25871 3620 1 6 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.723 0.101 25871 3621 1 6 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.255 -0.503 25871 3622 1 6 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.993 -1.780 25871 3623 1 6 . 1 1 766 766 LEU H H 766 8.589 8.589 8.479 0.110 25871 3624 1 6 . 1 1 767 767 GLY N N 767 108.644 108.644 107.301 1.343 25871 3625 1 6 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.501 0.435 25871 3626 1 6 . 1 1 767 767 GLY H H 767 8.601 8.601 9.101 -0.500 25871 3627 1 6 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.407 -0.126 25871 3628 1 6 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.404 1.469 25871 3629 1 6 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.136 0.055 25871 3630 1 6 . 1 1 769 769 GLU N N 769 115.170 115.170 120.285 -5.115 25871 3631 1 6 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.851 0.081 25871 3632 1 6 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.624 0.149 25871 3633 1 6 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.162 -0.334 25871 3634 1 6 . 1 1 769 769 GLU H H 769 8.649 8.649 8.918 -0.269 25871 3635 1 6 . 1 1 770 770 GLU N N 770 121.294 121.294 120.769 0.525 25871 3636 1 6 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.223 -0.110 25871 3637 1 6 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.432 0.186 25871 3638 1 6 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.596 0.707 25871 3639 1 6 . 1 1 770 770 GLU H H 770 7.846 7.846 8.102 -0.256 25871 3640 1 6 . 1 1 771 771 PHE N N 771 119.292 119.292 118.571 0.721 25871 3641 1 6 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.102 0.140 25871 3642 1 6 . 1 1 771 771 PHE CA C 771 59.104 59.104 60.069 -0.965 25871 3643 1 6 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.867 -0.141 25871 3644 1 6 . 1 1 771 771 PHE H H 771 8.876 8.876 8.531 0.345 25871 3645 1 6 . 1 1 772 772 LYS N N 772 120.139 120.139 120.366 -0.227 25871 3646 1 6 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.940 -0.764 25871 3647 1 6 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.500 0.985 25871 3648 1 6 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.289 -0.605 25871 3649 1 6 . 1 1 772 772 LYS H H 772 8.404 8.404 7.714 0.690 25871 3650 1 6 . 1 1 773 773 ALA N N 773 118.856 118.856 121.615 -2.759 25871 3651 1 6 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.135 -0.343 25871 3652 1 6 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.431 0.535 25871 3653 1 6 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.355 -0.409 25871 3654 1 6 . 1 1 773 773 ALA H H 773 7.180 7.180 8.096 -0.916 25871 3655 1 6 . 1 1 774 774 CYS N N 774 121.600 121.600 117.270 4.330 25871 3656 1 6 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.809 0.377 25871 3657 1 6 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.250 0.329 25871 3658 1 6 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.252 -0.222 25871 3659 1 6 . 1 1 774 774 CYS H H 774 7.731 7.731 7.638 0.093 25871 3660 1 6 . 1 1 775 775 LEU N N 775 120.029 120.029 118.921 1.108 25871 3661 1 6 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.629 0.210 25871 3662 1 6 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.249 1.099 25871 3663 1 6 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.143 -0.615 25871 3664 1 6 . 1 1 775 775 LEU H H 775 8.353 8.353 6.936 1.417 25871 3665 1 6 . 1 1 776 776 ILE N N 776 121.900 121.900 118.329 3.571 25871 3666 1 6 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.128 0.101 25871 3667 1 6 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.410 1.113 25871 3668 1 6 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.574 0.687 25871 3669 1 6 . 1 1 776 776 ILE H H 776 8.405 8.405 7.314 1.091 25871 3670 1 6 . 1 1 777 777 SER N N 777 119.490 119.490 116.514 2.976 25871 3671 1 6 . 1 1 777 777 SER HA H 777 4.435 4.435 4.294 0.141 25871 3672 1 6 . 1 1 777 777 SER CA C 777 61.843 61.843 61.280 0.563 25871 3673 1 6 . 1 1 777 777 SER CB C 777 62.953 62.953 62.978 -0.025 25871 3674 1 6 . 1 1 777 777 SER H H 777 8.144 8.144 7.850 0.294 25871 3675 1 6 . 1 1 778 778 LEU N N 778 122.142 122.142 119.580 2.562 25871 3676 1 6 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.543 0.099 25871 3677 1 6 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.183 -0.106 25871 3678 1 6 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.789 -0.169 25871 3679 1 6 . 1 1 778 778 LEU H H 778 7.644 7.644 7.759 -0.115 25871 3680 1 6 . 1 1 779 779 GLY N N 779 106.613 106.613 106.118 0.495 25871 3681 1 6 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.580 0.570 25871 3682 1 6 . 1 1 779 779 GLY H H 779 7.982 7.982 7.640 0.342 25871 3683 1 6 . 1 1 780 780 TYR N N 780 121.620 121.620 119.499 2.121 25871 3684 1 6 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.523 -0.358 25871 3685 1 6 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.069 2.304 25871 3686 1 6 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.245 -0.851 25871 3687 1 6 . 1 1 780 780 TYR H H 780 8.174 8.174 7.735 0.439 25871 3688 1 6 . 1 1 781 781 ASP N N 781 124.225 124.225 126.332 -2.107 25871 3689 1 6 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.765 -0.076 25871 3690 1 6 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.611 -0.046 25871 3691 1 6 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.313 0.802 25871 3692 1 6 . 1 1 781 781 ASP H H 781 8.650 8.650 8.958 -0.308 25871 3693 1 6 . 1 1 782 782 ILE N N 782 123.492 123.492 120.021 3.471 25871 3694 1 6 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.312 -0.063 25871 3695 1 6 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.414 -0.924 25871 3696 1 6 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.877 0.548 25871 3697 1 6 . 1 1 782 782 ILE H H 782 7.300 7.300 7.732 -0.432 25871 3698 1 6 . 1 1 783 783 GLY N N 783 113.404 113.404 112.270 1.134 25871 3699 1 6 . 1 1 783 783 GLY CA C 783 44.630 44.630 44.852 -0.222 25871 3700 1 6 . 1 1 783 783 GLY H H 783 8.345 8.345 8.949 -0.604 25871 3701 1 6 . 1 1 784 784 ASN N N 784 119.115 119.115 117.003 2.112 25871 3702 1 6 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.259 0.669 25871 3703 1 6 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.878 -1.823 25871 3704 1 6 . 1 1 784 784 ASN CB C 784 37.467 37.467 38.106 -0.639 25871 3705 1 6 . 1 1 784 784 ASN H H 784 8.476 8.476 8.494 -0.018 25871 3706 1 6 . 1 1 785 785 ASP N N 785 119.675 119.675 118.685 0.990 25871 3707 1 6 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.809 0.011 25871 3708 1 6 . 1 1 785 785 ASP CA C 785 52.365 52.365 52.806 -0.441 25871 3709 1 6 . 1 1 785 785 ASP CB C 785 39.736 39.736 40.934 -1.198 25871 3710 1 6 . 1 1 785 785 ASP H H 785 8.081 8.081 7.986 0.095 25871 3711 1 6 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.333 -0.027 25871 3712 1 6 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.219 0.994 25871 3713 1 6 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.114 -0.134 25871 3714 1 6 . 1 1 787 787 GLN N N 787 118.154 118.154 118.221 -0.067 25871 3715 1 6 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.323 -0.145 25871 3716 1 6 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.619 0.814 25871 3717 1 6 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.593 0.075 25871 3718 1 6 . 1 1 787 787 GLN H H 787 8.413 8.413 8.631 -0.218 25871 3719 1 6 . 1 1 788 788 GLY N N 788 113.343 113.343 109.018 4.325 25871 3720 1 6 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.406 1.045 25871 3721 1 6 . 1 1 788 788 GLY H H 788 8.644 8.644 8.212 0.432 25871 3722 1 6 . 1 1 789 789 GLU N N 789 121.232 121.232 121.995 -0.763 25871 3723 1 6 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.122 0.039 25871 3724 1 6 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.912 -0.479 25871 3725 1 6 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.534 0.107 25871 3726 1 6 . 1 1 789 789 GLU H H 789 8.539 8.539 8.431 0.108 25871 3727 1 6 . 1 1 790 790 ALA N N 790 122.805 122.805 121.087 1.718 25871 3728 1 6 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.134 0.139 25871 3729 1 6 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.110 -0.162 25871 3730 1 6 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.412 -0.511 25871 3731 1 6 . 1 1 790 790 ALA H H 790 8.035 8.035 7.567 0.468 25871 3732 1 6 . 1 1 791 791 GLU N N 791 122.504 122.504 117.159 5.345 25871 3733 1 6 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.181 0.568 25871 3734 1 6 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.712 0.755 25871 3735 1 6 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.821 -1.242 25871 3736 1 6 . 1 1 791 791 GLU H H 791 8.309 8.309 7.749 0.560 25871 3737 1 6 . 1 1 792 792 PHE N N 792 119.966 119.966 122.410 -2.444 25871 3738 1 6 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.237 -0.039 25871 3739 1 6 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.616 1.003 25871 3740 1 6 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.138 -0.673 25871 3741 1 6 . 1 1 792 792 PHE H H 792 8.835 8.835 8.609 0.226 25871 3742 1 6 . 1 1 793 793 ALA N N 793 119.978 119.978 122.163 -2.185 25871 3743 1 6 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.622 0.284 25871 3744 1 6 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.201 -0.181 25871 3745 1 6 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.145 -0.509 25871 3746 1 6 . 1 1 793 793 ALA H H 793 8.147 8.147 8.456 -0.309 25871 3747 1 6 . 1 1 794 794 ARG N N 794 121.286 121.286 117.370 3.916 25871 3748 1 6 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.017 -0.080 25871 3749 1 6 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.604 1.032 25871 3750 1 6 . 1 1 794 794 ARG CB C 794 30.257 30.257 30.135 0.122 25871 3751 1 6 . 1 1 794 794 ARG H H 794 7.953 7.953 7.217 0.736 25871 3752 1 6 . 1 1 795 795 ILE N N 795 121.594 121.594 120.978 0.616 25871 3753 1 6 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.398 -0.087 25871 3754 1 6 . 1 1 795 795 ILE CA C 795 66.176 66.176 65.362 0.814 25871 3755 1 6 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.850 0.484 25871 3756 1 6 . 1 1 795 795 ILE H H 795 8.091 8.091 7.436 0.655 25871 3757 1 6 . 1 1 796 796 MET N N 796 118.593 118.593 117.439 1.154 25871 3758 1 6 . 1 1 796 796 MET HA H 796 4.266 4.266 4.086 0.180 25871 3759 1 6 . 1 1 796 796 MET CA C 796 56.204 56.204 59.203 -2.999 25871 3760 1 6 . 1 1 796 796 MET CB C 796 29.453 29.453 31.835 -2.382 25871 3761 1 6 . 1 1 796 796 MET H H 796 8.543 8.543 8.162 0.381 25871 3762 1 6 . 1 1 797 797 SER N N 797 114.792 114.792 113.968 0.824 25871 3763 1 6 . 1 1 797 797 SER HA H 797 4.131 4.131 4.247 -0.116 25871 3764 1 6 . 1 1 797 797 SER CA C 797 61.233 61.233 61.437 -0.204 25871 3765 1 6 . 1 1 797 797 SER CB C 797 63.017 63.017 62.869 0.148 25871 3766 1 6 . 1 1 797 797 SER H H 797 7.740 7.740 7.403 0.337 25871 3767 1 6 . 1 1 798 798 ILE N N 798 121.041 121.041 119.908 1.133 25871 3768 1 6 . 1 1 798 798 ILE HA H 798 3.869 3.869 4.072 -0.203 25871 3769 1 6 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.471 0.468 25871 3770 1 6 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.982 -0.091 25871 3771 1 6 . 1 1 798 798 ILE H H 798 7.352 7.352 7.582 -0.230 25871 3772 1 6 . 1 1 799 799 VAL N N 799 110.418 110.418 112.097 -1.679 25871 3773 1 6 . 1 1 799 799 VAL HA H 799 4.211 4.211 4.003 0.208 25871 3774 1 6 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.286 -0.102 25871 3775 1 6 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.027 0.383 25871 3776 1 6 . 1 1 799 799 VAL H H 799 7.806 7.806 7.924 -0.118 25871 3777 1 6 . 1 1 800 800 ASP N N 800 119.703 119.703 119.161 0.542 25871 3778 1 6 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.005 0.252 25871 3779 1 6 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.569 0.166 25871 3780 1 6 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.698 -0.364 25871 3781 1 6 . 1 1 800 800 ASP H H 800 8.124 8.124 7.550 0.574 25871 3782 1 6 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.495 -0.135 25871 3783 1 6 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.084 0.952 25871 3784 1 6 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.316 -0.419 25871 3785 1 6 . 1 1 802 802 ASN N N 802 115.156 115.156 117.262 -2.106 25871 3786 1 6 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.665 0.114 25871 3787 1 6 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.325 -0.097 25871 3788 1 6 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.522 -0.308 25871 3789 1 6 . 1 1 802 802 ASN H H 802 8.967 8.967 7.830 1.137 25871 3790 1 6 . 1 1 803 803 ARG N N 803 117.568 117.568 116.422 1.146 25871 3791 1 6 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.106 -0.257 25871 3792 1 6 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.597 0.379 25871 3793 1 6 . 1 1 803 803 ARG CB C 803 26.440 26.440 27.079 -0.639 25871 3794 1 6 . 1 1 803 803 ARG H H 803 8.013 8.013 7.866 0.147 25871 3795 1 6 . 1 1 804 804 LEU N N 804 122.899 122.899 119.979 2.920 25871 3796 1 6 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.172 0.040 25871 3797 1 6 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.822 0.339 25871 3798 1 6 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.385 0.503 25871 3799 1 6 . 1 1 804 804 LEU H H 804 10.338 10.338 8.805 1.533 25871 3800 1 6 . 1 1 805 805 GLY N N 805 110.909 110.909 106.815 4.094 25871 3801 1 6 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.371 -0.090 25871 3802 1 6 . 1 1 805 805 GLY H H 805 10.955 10.955 9.050 1.905 25871 3803 1 6 . 1 1 806 806 VAL N N 806 111.683 111.683 112.577 -0.894 25871 3804 1 6 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.133 -0.550 25871 3805 1 6 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.333 0.082 25871 3806 1 6 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.255 1.048 25871 3807 1 6 . 1 1 806 806 VAL H H 806 6.806 6.806 7.409 -0.603 25871 3808 1 6 . 1 1 807 807 VAL N N 807 123.649 123.649 119.924 3.725 25871 3809 1 6 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.422 -0.236 25871 3810 1 6 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.269 1.411 25871 3811 1 6 . 1 1 807 807 VAL CB C 807 32.903 32.903 34.965 -2.062 25871 3812 1 6 . 1 1 807 807 VAL H H 807 9.156 9.156 8.788 0.368 25871 3813 1 6 . 1 1 808 808 THR N N 808 116.404 116.404 119.323 -2.919 25871 3814 1 6 . 1 1 808 808 THR HA H 808 4.782 4.782 4.783 -0.001 25871 3815 1 6 . 1 1 808 808 THR CA C 808 62.526 62.526 59.930 2.596 25871 3816 1 6 . 1 1 808 808 THR CB C 808 69.707 69.707 71.105 -1.398 25871 3817 1 6 . 1 1 808 808 THR H H 808 7.948 7.948 8.229 -0.281 25871 3818 1 6 . 1 1 809 809 PHE N N 809 121.514 121.514 124.383 -2.869 25871 3819 1 6 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.399 -0.897 25871 3820 1 6 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.410 -0.632 25871 3821 1 6 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.791 -0.355 25871 3822 1 6 . 1 1 809 809 PHE H H 809 8.528 8.528 8.188 0.340 25871 3823 1 6 . 1 1 810 810 GLN N N 810 116.869 116.869 118.257 -1.388 25871 3824 1 6 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.655 -0.034 25871 3825 1 6 . 1 1 810 810 GLN CA C 810 58.548 58.548 58.012 0.536 25871 3826 1 6 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.945 0.452 25871 3827 1 6 . 1 1 810 810 GLN H H 810 8.638 8.638 8.209 0.429 25871 3828 1 6 . 1 1 811 811 ALA N N 811 121.318 121.318 122.682 -1.364 25871 3829 1 6 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.973 0.175 25871 3830 1 6 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.586 0.503 25871 3831 1 6 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.589 0.651 25871 3832 1 6 . 1 1 811 811 ALA H H 811 7.795 7.795 7.497 0.298 25871 3833 1 6 . 1 1 812 812 PHE N N 812 119.498 119.498 116.255 3.243 25871 3834 1 6 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.825 0.352 25871 3835 1 6 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.222 1.275 25871 3836 1 6 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.635 0.391 25871 3837 1 6 . 1 1 812 812 PHE H H 812 8.093 8.093 7.642 0.451 25871 3838 1 6 . 1 1 813 813 ILE N N 813 119.554 119.554 117.612 1.942 25871 3839 1 6 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.576 0.569 25871 3840 1 6 . 1 1 813 813 ILE CA C 813 62.176 62.176 63.159 -0.983 25871 3841 1 6 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.724 0.066 25871 3842 1 6 . 1 1 813 813 ILE H H 813 8.316 8.316 6.462 1.854 25871 3843 1 6 . 1 1 814 814 ASP N N 814 123.772 123.772 120.616 3.156 25871 3844 1 6 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.141 0.099 25871 3845 1 6 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.804 0.099 25871 3846 1 6 . 1 1 814 814 ASP CB C 814 40.242 40.242 41.186 -0.944 25871 3847 1 6 . 1 1 814 814 ASP H H 814 8.434 8.434 7.351 1.083 25871 3848 1 6 . 1 1 815 815 PHE N N 815 121.079 121.079 115.428 5.651 25871 3849 1 6 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.336 -0.163 25871 3850 1 6 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.875 2.250 25871 3851 1 6 . 1 1 815 815 PHE CB C 815 39.292 39.292 37.732 1.560 25871 3852 1 6 . 1 1 815 815 PHE H H 815 7.904 7.904 6.941 0.963 25871 3853 1 6 . 1 1 816 816 MET N N 816 117.231 117.231 120.837 -3.606 25871 3854 1 6 . 1 1 816 816 MET HA H 816 3.864 3.864 4.280 -0.416 25871 3855 1 6 . 1 1 816 816 MET CA C 816 55.934 55.934 58.007 -2.073 25871 3856 1 6 . 1 1 816 816 MET CB C 816 30.451 30.451 31.369 -0.918 25871 3857 1 6 . 1 1 816 816 MET H H 816 8.270 8.270 7.392 0.878 25871 3858 1 6 . 1 1 817 817 SER N N 817 114.308 114.308 114.837 -0.529 25871 3859 1 6 . 1 1 817 817 SER HA H 817 4.209 4.209 4.227 -0.018 25871 3860 1 6 . 1 1 817 817 SER CA C 817 60.410 60.410 60.805 -0.395 25871 3861 1 6 . 1 1 817 817 SER CB C 817 63.328 63.328 62.769 0.559 25871 3862 1 6 . 1 1 817 817 SER H H 817 8.100 8.100 7.821 0.279 25871 3863 1 6 . 1 1 818 818 ARG N N 818 121.459 121.459 120.272 1.187 25871 3864 1 6 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.414 -0.250 25871 3865 1 6 . 1 1 818 818 ARG CA C 818 57.468 57.468 57.204 0.264 25871 3866 1 6 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.207 0.178 25871 3867 1 6 . 1 1 818 818 ARG H H 818 7.329 7.329 7.745 -0.416 25871 3868 1 6 . 1 1 819 819 GLU N N 819 119.944 119.944 118.622 1.322 25871 3869 1 6 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.252 -0.088 25871 3870 1 6 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.336 -0.868 25871 3871 1 6 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.051 1.475 25871 3872 1 6 . 1 1 819 819 GLU H H 819 8.059 8.059 8.410 -0.351 25871 3873 1 6 . 1 1 820 820 THR N N 820 112.658 112.658 114.130 -1.472 25871 3874 1 6 . 1 1 820 820 THR HA H 820 4.309 4.309 4.219 0.090 25871 3875 1 6 . 1 1 820 820 THR CA C 820 62.191 62.191 63.573 -1.382 25871 3876 1 6 . 1 1 820 820 THR CB C 820 69.877 69.877 69.184 0.692 25871 3877 1 6 . 1 1 820 820 THR H H 820 7.789 7.789 7.613 0.176 25871 3878 1 6 . 1 1 821 821 ALA N N 821 126.145 126.145 122.332 3.813 25871 3879 1 6 . 1 1 821 821 ALA HA H 821 4.332 4.332 3.996 0.336 25871 3880 1 6 . 1 1 821 821 ALA CA C 821 52.816 52.816 53.356 -0.540 25871 3881 1 6 . 1 1 821 821 ALA CB C 821 19.459 19.459 17.349 2.110 25871 3882 1 6 . 1 1 821 821 ALA H H 821 8.003 8.003 7.308 0.695 25871 3883 1 6 . 1 1 822 822 ASP N N 822 120.003 120.003 118.350 1.653 25871 3884 1 6 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.658 -0.016 25871 3885 1 6 . 1 1 822 822 ASP CA C 822 54.439 54.439 54.573 -0.134 25871 3886 1 6 . 1 1 822 822 ASP CB C 822 40.866 40.866 40.822 0.044 25871 3887 1 6 . 1 1 822 822 ASP H H 822 8.330 8.330 8.500 -0.170 25871 3888 1 6 . 1 1 823 823 THR N N 823 114.181 114.181 109.315 4.866 25871 3889 1 6 . 1 1 823 823 THR HA H 823 4.304 4.304 4.477 -0.173 25871 3890 1 6 . 1 1 823 823 THR CA C 823 62.284 62.284 60.364 1.921 25871 3891 1 6 . 1 1 823 823 THR CB C 823 69.738 69.738 69.721 0.017 25871 3892 1 6 . 1 1 823 823 THR H H 823 8.093 8.093 7.567 0.526 25871 3893 1 6 . 1 1 824 824 ASP N N 824 123.285 123.285 123.022 0.263 25871 3894 1 6 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.604 0.047 25871 3895 1 6 . 1 1 824 824 ASP CA C 824 54.595 54.595 54.444 0.151 25871 3896 1 6 . 1 1 824 824 ASP CB C 824 41.145 41.145 42.147 -1.002 25871 3897 1 6 . 1 1 824 824 ASP H H 824 8.426 8.426 8.162 0.264 25871 3898 1 6 . 1 1 825 825 THR N N 825 114.970 114.970 113.957 1.013 25871 3899 1 6 . 1 1 825 825 THR HA H 825 4.313 4.313 4.080 0.233 25871 3900 1 6 . 1 1 825 825 THR CA C 825 62.329 62.329 64.658 -2.329 25871 3901 1 6 . 1 1 825 825 THR CB C 825 69.541 69.541 68.998 0.543 25871 3902 1 6 . 1 1 825 825 THR H H 825 8.157 8.157 8.319 -0.162 25871 3903 1 6 . 1 1 826 826 ALA N N 826 124.991 124.991 122.519 2.472 25871 3904 1 6 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.227 -0.026 25871 3905 1 6 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.260 0.213 25871 3906 1 6 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.170 0.526 25871 3907 1 6 . 1 1 826 826 ALA H H 826 8.374 8.374 7.997 0.377 25871 3908 1 6 . 1 1 827 827 ASP N N 827 117.795 117.795 118.189 -0.394 25871 3909 1 6 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.355 0.107 25871 3910 1 6 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.170 -1.019 25871 3911 1 6 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.923 0.006 25871 3912 1 6 . 1 1 827 827 ASP H H 827 8.255 8.255 8.129 0.126 25871 3913 1 6 . 1 1 828 828 GLN N N 828 120.646 120.646 118.603 2.043 25871 3914 1 6 . 1 1 828 828 GLN HA H 828 4.121 4.121 4.025 0.096 25871 3915 1 6 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.719 -0.769 25871 3916 1 6 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.607 -0.021 25871 3917 1 6 . 1 1 828 828 GLN H H 828 8.086 8.086 7.665 0.421 25871 3918 1 6 . 1 1 829 829 VAL N N 829 120.933 120.933 119.390 1.543 25871 3919 1 6 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.771 -0.220 25871 3920 1 6 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.619 0.702 25871 3921 1 6 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.462 0.288 25871 3922 1 6 . 1 1 829 829 VAL H H 829 8.048 8.048 7.465 0.583 25871 3923 1 6 . 1 1 830 830 MET N N 830 119.386 119.386 121.623 -2.237 25871 3924 1 6 . 1 1 830 830 MET HA H 830 4.030 4.030 4.470 -0.440 25871 3925 1 6 . 1 1 830 830 MET CA C 830 58.013 58.013 58.668 -0.655 25871 3926 1 6 . 1 1 830 830 MET CB C 830 32.110 32.110 32.374 -0.264 25871 3927 1 6 . 1 1 830 830 MET H H 830 8.088 8.088 8.427 -0.339 25871 3928 1 6 . 1 1 831 831 ALA N N 831 121.027 121.027 121.107 -0.080 25871 3929 1 6 . 1 1 831 831 ALA HA H 831 4.075 4.075 4.018 0.057 25871 3930 1 6 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.877 -1.258 25871 3931 1 6 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.039 0.087 25871 3932 1 6 . 1 1 831 831 ALA H H 831 7.829 7.829 8.354 -0.525 25871 3933 1 6 . 1 1 832 832 SER N N 832 114.314 114.314 114.842 -0.528 25871 3934 1 6 . 1 1 832 832 SER HA H 832 4.181 4.181 4.125 0.056 25871 3935 1 6 . 1 1 832 832 SER CA C 832 61.039 61.039 61.227 -0.188 25871 3936 1 6 . 1 1 832 832 SER CB C 832 62.671 62.671 62.367 0.304 25871 3937 1 6 . 1 1 832 832 SER H H 832 7.711 7.711 7.334 0.377 25871 3938 1 6 . 1 1 833 833 PHE N N 833 121.898 121.898 122.170 -0.272 25871 3939 1 6 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.233 -0.003 25871 3940 1 6 . 1 1 833 833 PHE CA C 833 58.434 58.434 60.024 -1.590 25871 3941 1 6 . 1 1 833 833 PHE CB C 833 38.249 38.249 38.007 0.242 25871 3942 1 6 . 1 1 833 833 PHE H H 833 7.717 7.717 7.267 0.450 25871 3943 1 6 . 1 1 834 834 LYS N N 834 118.752 118.752 119.893 -1.141 25871 3944 1 6 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.918 -0.296 25871 3945 1 6 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.510 -0.085 25871 3946 1 6 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.278 -0.094 25871 3947 1 6 . 1 1 834 834 LYS H H 834 7.844 7.844 8.047 -0.203 25871 3948 1 6 . 1 1 835 835 ILE N N 835 118.528 118.528 117.419 1.109 25871 3949 1 6 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.786 -0.016 25871 3950 1 6 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.197 -0.478 25871 3951 1 6 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.302 -0.396 25871 3952 1 6 . 1 1 835 835 ILE H H 835 7.311 7.311 7.262 0.049 25871 3953 1 6 . 1 1 836 836 LEU N N 836 121.176 121.176 116.919 4.257 25871 3954 1 6 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.403 -0.413 25871 3955 1 6 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.822 0.344 25871 3956 1 6 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.784 0.712 25871 3957 1 6 . 1 1 836 836 LEU H H 836 7.617 7.617 7.243 0.374 25871 3958 1 6 . 1 1 837 837 ALA N N 837 119.189 119.189 121.472 -2.283 25871 3959 1 6 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.261 -0.337 25871 3960 1 6 . 1 1 837 837 ALA CA C 837 53.417 53.417 53.145 0.272 25871 3961 1 6 . 1 1 837 837 ALA CB C 837 19.392 19.392 17.855 1.536 25871 3962 1 6 . 1 1 837 837 ALA H H 837 8.092 8.092 8.621 -0.529 25871 3963 1 6 . 1 1 838 838 GLY N N 838 106.965 106.965 107.709 -0.744 25871 3964 1 6 . 1 1 838 838 GLY CA C 838 47.029 47.029 46.986 0.043 25871 3965 1 6 . 1 1 838 838 GLY H H 838 7.667 7.667 8.073 -0.406 25871 3966 1 6 . 1 1 839 839 ASP N N 839 122.392 122.392 120.217 2.175 25871 3967 1 6 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.609 -0.092 25871 3968 1 6 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.364 -0.783 25871 3969 1 6 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.203 -0.619 25871 3970 1 6 . 1 1 839 839 ASP H H 839 8.703 8.703 7.979 0.724 25871 3971 1 6 . 1 1 840 840 LYS N N 840 117.603 117.603 116.883 0.720 25871 3972 1 6 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.612 -0.280 25871 3973 1 6 . 1 1 840 840 LYS CA C 840 55.967 55.967 55.007 0.960 25871 3974 1 6 . 1 1 840 840 LYS CB C 840 33.751 33.751 34.880 -1.129 25871 3975 1 6 . 1 1 840 840 LYS H H 840 7.592 7.592 7.990 -0.398 25871 3976 1 6 . 1 1 841 841 ASN N N 841 116.654 116.654 116.746 -0.092 25871 3977 1 6 . 1 1 841 841 ASN HA H 841 4.642 4.642 5.023 -0.381 25871 3978 1 6 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.079 0.617 25871 3979 1 6 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.660 -0.404 25871 3980 1 6 . 1 1 841 841 ASN H H 841 8.689 8.689 8.809 -0.120 25871 3981 1 6 . 1 1 842 842 TYR N N 842 112.231 112.231 114.093 -1.862 25871 3982 1 6 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.989 0.024 25871 3983 1 6 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.039 -1.906 25871 3984 1 6 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.160 1.468 25871 3985 1 6 . 1 1 842 842 TYR H H 842 6.638 6.638 7.297 -0.659 25871 3986 1 6 . 1 1 843 843 ILE N N 843 115.455 115.455 119.394 -3.939 25871 3987 1 6 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.308 0.492 25871 3988 1 6 . 1 1 843 843 ILE CA C 843 59.462 59.462 58.604 0.858 25871 3989 1 6 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.738 0.731 25871 3990 1 6 . 1 1 843 843 ILE H H 843 8.626 8.626 9.051 -0.425 25871 3991 1 6 . 1 1 844 844 THR N N 844 117.140 117.140 117.816 -0.676 25871 3992 1 6 . 1 1 844 844 THR HA H 844 5.393 5.393 5.199 0.194 25871 3993 1 6 . 1 1 844 844 THR CA C 844 60.380 60.380 59.881 0.499 25871 3994 1 6 . 1 1 844 844 THR CB C 844 71.475 71.475 71.168 0.307 25871 3995 1 6 . 1 1 844 844 THR H H 844 9.329 9.329 8.805 0.524 25871 3996 1 6 . 1 1 845 845 MET N N 845 119.879 119.879 120.003 -0.124 25871 3997 1 6 . 1 1 845 845 MET HA H 845 3.852 3.852 4.001 -0.149 25871 3998 1 6 . 1 1 845 845 MET CA C 845 60.389 60.389 60.458 -0.069 25871 3999 1 6 . 1 1 845 845 MET CB C 845 33.110 33.110 32.140 0.970 25871 4000 1 6 . 1 1 845 845 MET H H 845 8.555 8.555 8.540 0.015 25871 4001 1 6 . 1 1 846 846 ASP N N 846 116.360 116.360 119.023 -2.663 25871 4002 1 6 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.364 -0.054 25871 4003 1 6 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.407 0.082 25871 4004 1 6 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.864 -0.192 25871 4005 1 6 . 1 1 846 846 ASP H H 846 8.375 8.375 8.474 -0.099 25871 4006 1 6 . 1 1 847 847 GLU N N 847 120.575 120.575 118.936 1.639 25871 4007 1 6 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.053 -0.167 25871 4008 1 6 . 1 1 847 847 GLU CA C 847 59.754 59.754 58.987 0.767 25871 4009 1 6 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.890 -0.133 25871 4010 1 6 . 1 1 847 847 GLU H H 847 7.852 7.852 7.619 0.233 25871 4011 1 6 . 1 1 848 848 LEU N N 848 118.753 118.753 118.029 0.724 25871 4012 1 6 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.231 -0.371 25871 4013 1 6 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.084 0.599 25871 4014 1 6 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.430 1.094 25871 4015 1 6 . 1 1 848 848 LEU H H 848 7.834 7.834 7.933 -0.099 25871 4016 1 6 . 1 1 849 849 ARG N N 849 113.976 113.976 118.271 -4.295 25871 4017 1 6 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.095 -0.135 25871 4018 1 6 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.894 -0.298 25871 4019 1 6 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.020 0.125 25871 4020 1 6 . 1 1 849 849 ARG H H 849 8.055 8.055 7.803 0.252 25871 4021 1 6 . 1 1 850 850 ARG N N 850 118.184 118.184 118.433 -0.249 25871 4022 1 6 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.214 0.017 25871 4023 1 6 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.595 -0.216 25871 4024 1 6 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.890 1.223 25871 4025 1 6 . 1 1 850 850 ARG H H 850 7.739 7.739 7.791 -0.052 25871 4026 1 6 . 1 1 851 851 GLU N N 851 115.550 115.550 119.206 -3.656 25871 4027 1 6 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.256 0.124 25871 4028 1 6 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.265 -1.271 25871 4029 1 6 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.682 1.003 25871 4030 1 6 . 1 1 851 851 GLU H H 851 7.591 7.591 7.667 -0.076 25871 4031 1 6 . 1 1 852 852 LEU N N 852 119.170 119.170 119.876 -0.706 25871 4032 1 6 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.867 0.059 25871 4033 1 6 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.203 0.088 25871 4034 1 6 . 1 1 852 852 LEU CB C 852 42.638 42.638 42.024 0.614 25871 4035 1 6 . 1 1 852 852 LEU H H 852 7.891 7.891 7.674 0.217 25871 4036 1 6 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.596 -0.291 25871 4037 1 6 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.233 4.169 25871 4038 1 6 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.333 -0.009 25871 4039 1 6 . 1 1 855 855 ASP N N 855 114.853 114.853 118.755 -3.902 25871 4040 1 6 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.363 0.016 25871 4041 1 6 . 1 1 855 855 ASP CA C 855 57.058 57.058 56.900 0.158 25871 4042 1 6 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.109 -0.870 25871 4043 1 6 . 1 1 855 855 ASP H H 855 8.796 8.796 8.627 0.169 25871 4044 1 6 . 1 1 856 856 GLN N N 856 121.513 121.513 118.612 2.901 25871 4045 1 6 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.984 0.256 25871 4046 1 6 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.633 -0.249 25871 4047 1 6 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.959 1.383 25871 4048 1 6 . 1 1 856 856 GLN H H 856 7.471 7.471 8.419 -0.948 25871 4049 1 6 . 1 1 857 857 ALA N N 857 122.821 122.821 122.148 0.673 25871 4050 1 6 . 1 1 857 857 ALA HA H 857 3.830 3.830 3.953 -0.123 25871 4051 1 6 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.843 0.562 25871 4052 1 6 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.294 -0.310 25871 4053 1 6 . 1 1 857 857 ALA H H 857 8.889 8.889 8.240 0.649 25871 4054 1 6 . 1 1 858 858 GLU N N 858 114.091 114.091 119.267 -5.176 25871 4055 1 6 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.063 -0.007 25871 4056 1 6 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.267 -0.487 25871 4057 1 6 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.359 -0.692 25871 4058 1 6 . 1 1 858 858 GLU H H 858 8.143 8.143 8.284 -0.141 25871 4059 1 6 . 1 1 859 859 TYR N N 859 120.670 120.670 119.120 1.550 25871 4060 1 6 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.272 -0.145 25871 4061 1 6 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.455 -0.307 25871 4062 1 6 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.813 0.925 25871 4063 1 6 . 1 1 859 859 TYR H H 859 7.708 7.708 8.818 -1.110 25871 4064 1 6 . 1 1 860 860 CYS N N 860 115.848 115.848 119.540 -3.692 25871 4065 1 6 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.027 0.161 25871 4066 1 6 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.301 0.137 25871 4067 1 6 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.356 0.109 25871 4068 1 6 . 1 1 860 860 CYS H H 860 8.119 8.119 7.982 0.137 25871 4069 1 6 . 1 1 861 861 ILE N N 861 120.124 120.124 120.877 -0.753 25871 4070 1 6 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.571 -0.207 25871 4071 1 6 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.738 -0.006 25871 4072 1 6 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.722 1.000 25871 4073 1 6 . 1 1 861 861 ILE H H 861 8.451 8.451 8.490 -0.039 25871 4074 1 6 . 1 1 862 862 ALA N N 862 116.691 116.691 119.823 -3.132 25871 4075 1 6 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.126 0.124 25871 4076 1 6 . 1 1 862 862 ALA CA C 862 53.428 53.428 53.847 -0.419 25871 4077 1 6 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.293 0.782 25871 4078 1 6 . 1 1 862 862 ALA H H 862 7.304 7.304 8.049 -0.745 25871 4079 1 6 . 1 1 863 863 ARG N N 863 117.259 117.259 115.871 1.388 25871 4080 1 6 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.100 0.192 25871 4081 1 6 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.253 1.186 25871 4082 1 6 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.689 -0.231 25871 4083 1 6 . 1 1 863 863 ARG H H 863 7.357 7.357 7.582 -0.225 25871 4084 1 6 . 1 1 864 864 MET N N 864 117.570 117.570 120.386 -2.816 25871 4085 1 6 . 1 1 864 864 MET HA H 864 4.598 4.598 4.042 0.556 25871 4086 1 6 . 1 1 864 864 MET CA C 864 55.180 55.180 56.723 -1.543 25871 4087 1 6 . 1 1 864 864 MET CB C 864 37.428 37.428 33.678 3.750 25871 4088 1 6 . 1 1 864 864 MET H H 864 7.147 7.147 7.923 -0.776 25871 4089 1 6 . 1 1 865 865 ALA N N 865 124.616 124.616 128.090 -3.474 25871 4090 1 6 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.725 -0.792 25871 4091 1 6 . 1 1 865 865 ALA CA C 865 49.280 49.280 50.222 -0.942 25871 4092 1 6 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.405 0.244 25871 4093 1 6 . 1 1 865 865 ALA H H 865 8.548 8.548 8.594 -0.046 25871 4094 1 6 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.475 0.044 25871 4095 1 6 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.494 0.327 25871 4096 1 6 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.211 -0.220 25871 4097 1 6 . 1 1 867 867 TYR N N 867 122.454 122.454 124.915 -2.461 25871 4098 1 6 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.601 -0.446 25871 4099 1 6 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.713 -0.762 25871 4100 1 6 . 1 1 867 867 TYR CB C 867 43.347 43.347 40.090 3.257 25871 4101 1 6 . 1 1 867 867 TYR H H 867 8.127 8.127 8.176 -0.049 25871 4102 1 6 . 1 1 869 869 GLY N N 869 105.881 105.881 110.401 -4.520 25871 4103 1 6 . 1 1 869 869 GLY CA C 869 45.090 45.090 42.788 2.302 25871 4104 1 6 . 1 1 869 869 GLY H H 869 5.440 5.440 6.888 -1.448 25871 4105 1 6 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.386 -0.025 25871 4106 1 6 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.469 0.372 25871 4107 1 6 . 1 1 870 870 PRO CB C 870 31.630 31.630 32.193 -0.563 25871 4108 1 6 . 1 1 871 871 ASP N N 871 116.217 116.217 119.564 -3.347 25871 4109 1 6 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.947 -0.311 25871 4110 1 6 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.593 -0.643 25871 4111 1 6 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.928 -1.778 25871 4112 1 6 . 1 1 871 871 ASP H H 871 9.263 9.263 8.056 1.207 25871 4113 1 6 . 1 1 872 872 SER N N 872 112.352 112.352 115.995 -3.643 25871 4114 1 6 . 1 1 872 872 SER HA H 872 3.530 3.530 4.285 -0.755 25871 4115 1 6 . 1 1 872 872 SER CA C 872 59.184 59.184 59.045 0.139 25871 4116 1 6 . 1 1 872 872 SER CB C 872 63.286 63.286 64.039 -0.753 25871 4117 1 6 . 1 1 872 872 SER H H 872 7.487 7.487 7.570 -0.083 25871 4118 1 6 . 1 1 873 873 VAL N N 873 113.588 113.588 114.766 -1.178 25871 4119 1 6 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.632 0.121 25871 4120 1 6 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.131 -0.063 25871 4121 1 6 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.367 -0.450 25871 4122 1 6 . 1 1 873 873 VAL H H 873 6.411 6.411 7.689 -1.278 25871 4123 1 6 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.422 -0.092 25871 4124 1 6 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.228 0.082 25871 4125 1 6 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.394 0.229 25871 4126 1 6 . 1 1 875 875 GLY N N 875 112.109 112.109 107.457 4.652 25871 4127 1 6 . 1 1 875 875 GLY CA C 875 45.492 45.492 43.729 1.763 25871 4128 1 6 . 1 1 875 875 GLY H H 875 8.798 8.798 7.909 0.889 25871 4129 1 6 . 1 1 876 876 ALA N N 876 120.267 120.267 124.043 -3.776 25871 4130 1 6 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.312 -1.175 25871 4131 1 6 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.690 2.573 25871 4132 1 6 . 1 1 876 876 ALA CB C 876 20.554 20.554 21.035 -0.481 25871 4133 1 6 . 1 1 876 876 ALA H H 876 7.762 7.762 7.650 0.112 25871 4134 1 6 . 1 1 877 877 LEU N N 877 125.696 125.696 122.801 2.895 25871 4135 1 6 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.104 -0.300 25871 4136 1 6 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.917 0.375 25871 4137 1 6 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.648 -1.807 25871 4138 1 6 . 1 1 877 877 LEU H H 877 9.598 9.598 9.307 0.291 25871 4139 1 6 . 1 1 878 878 ASP N N 878 119.836 119.836 122.669 -2.833 25871 4140 1 6 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.101 -0.182 25871 4141 1 6 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.667 -0.537 25871 4142 1 6 . 1 1 878 878 ASP CB C 878 40.798 40.798 41.964 -1.166 25871 4143 1 6 . 1 1 878 878 ASP H H 878 9.028 9.028 8.844 0.184 25871 4144 1 6 . 1 1 879 879 TYR N N 879 126.600 126.600 125.635 0.965 25871 4145 1 6 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.176 0.442 25871 4146 1 6 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.895 -0.338 25871 4147 1 6 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.116 -0.592 25871 4148 1 6 . 1 1 879 879 TYR H H 879 7.454 7.454 8.054 -0.600 25871 4149 1 6 . 1 1 880 880 MET N N 880 119.910 119.910 118.278 1.632 25871 4150 1 6 . 1 1 880 880 MET HA H 880 4.619 4.619 3.521 1.098 25871 4151 1 6 . 1 1 880 880 MET CA C 880 56.205 56.205 57.896 -1.691 25871 4152 1 6 . 1 1 880 880 MET CB C 880 32.338 32.338 31.898 0.441 25871 4153 1 6 . 1 1 880 880 MET H H 880 7.620 7.620 7.382 0.238 25871 4154 1 6 . 1 1 881 881 SER N N 881 114.353 114.353 114.329 0.024 25871 4155 1 6 . 1 1 881 881 SER HA H 881 4.501 4.501 4.281 0.220 25871 4156 1 6 . 1 1 881 881 SER CA C 881 58.957 58.957 59.963 -1.006 25871 4157 1 6 . 1 1 881 881 SER CB C 881 64.284 64.284 62.919 1.365 25871 4158 1 6 . 1 1 881 881 SER H H 881 7.721 7.721 7.709 0.012 25871 4159 1 6 . 1 1 882 882 PHE N N 882 122.746 122.746 124.093 -1.347 25871 4160 1 6 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.695 0.054 25871 4161 1 6 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.110 -0.659 25871 4162 1 6 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.794 1.502 25871 4163 1 6 . 1 1 882 882 PHE H H 882 7.386 7.386 7.604 -0.218 25871 4164 1 6 . 1 1 883 883 SER N N 883 120.214 120.214 114.366 5.848 25871 4165 1 6 . 1 1 883 883 SER HA H 883 4.338 4.338 3.888 0.450 25871 4166 1 6 . 1 1 883 883 SER CA C 883 57.455 57.455 61.058 -3.603 25871 4167 1 6 . 1 1 883 883 SER CB C 883 64.684 64.684 62.657 2.027 25871 4168 1 6 . 1 1 883 883 SER H H 883 7.464 7.464 8.314 -0.850 25871 4169 1 6 . 1 1 884 884 THR N N 884 110.671 110.671 112.320 -1.649 25871 4170 1 6 . 1 1 884 884 THR HA H 884 4.008 4.008 4.337 -0.329 25871 4171 1 6 . 1 1 884 884 THR CA C 884 63.367 63.367 61.248 2.119 25871 4172 1 6 . 1 1 884 884 THR CB C 884 69.088 69.088 69.472 -0.384 25871 4173 1 6 . 1 1 884 884 THR H H 884 7.993 7.993 7.711 0.282 25871 4174 1 6 . 1 1 885 885 ALA N N 885 125.453 125.453 123.940 1.513 25871 4175 1 6 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.736 -0.466 25871 4176 1 6 . 1 1 885 885 ALA CA C 885 52.160 52.160 51.907 0.253 25871 4177 1 6 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.337 -2.027 25871 4178 1 6 . 1 1 885 885 ALA H H 885 7.905 7.905 7.454 0.451 25871 4179 1 6 . 1 1 886 886 LEU N N 886 120.791 120.791 120.577 0.214 25871 4180 1 6 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.691 -1.644 25871 4181 1 6 . 1 1 886 886 LEU CA C 886 55.496 55.496 54.191 1.305 25871 4182 1 6 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.805 -3.466 25871 4183 1 6 . 1 1 886 886 LEU H H 886 8.087 8.087 8.309 -0.222 25871 4184 1 6 . 1 1 887 887 TYR N N 887 121.620 121.620 116.575 5.045 25871 4185 1 6 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.980 -0.577 25871 4186 1 6 . 1 1 887 887 TYR CA C 887 58.794 58.794 56.945 1.849 25871 4187 1 6 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.599 -0.978 25871 4188 1 6 . 1 1 887 887 TYR H H 887 8.272 8.272 7.908 0.364 25871 4189 1 6 . 1 1 888 888 GLY N N 888 112.443 112.443 107.313 5.130 25871 4190 1 6 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.715 0.480 25871 4191 1 6 . 1 1 888 888 GLY H H 888 8.087 8.087 8.129 -0.042 25871 4192 1 6 . 1 1 889 889 GLU N N 889 120.272 120.272 117.399 2.873 25871 4193 1 6 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.580 -0.285 25871 4194 1 6 . 1 1 889 889 GLU CA C 889 56.593 56.593 55.649 0.944 25871 4195 1 6 . 1 1 889 889 GLU CB C 889 30.601 30.601 33.112 -2.511 25871 4196 1 6 . 1 1 889 889 GLU H H 889 7.991 7.991 7.483 0.508 25871 4197 1 6 . 1 1 890 890 SER N N 890 116.330 116.330 117.130 -0.800 25871 4198 1 6 . 1 1 890 890 SER HA H 890 4.452 4.452 4.813 -0.361 25871 4199 1 6 . 1 1 890 890 SER CA C 890 58.334 58.334 57.666 0.668 25871 4200 1 6 . 1 1 890 890 SER CB C 890 64.174 64.174 65.336 -1.162 25871 4201 1 6 . 1 1 890 890 SER H H 890 8.325 8.325 8.278 0.047 25871 4202 1 6 . 1 1 891 891 ASP N N 891 122.987 122.987 120.871 2.116 25871 4203 1 6 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.879 -0.227 25871 4204 1 6 . 1 1 891 891 ASP CA C 891 54.534 54.534 54.845 -0.311 25871 4205 1 6 . 1 1 891 891 ASP CB C 891 40.981 40.981 41.040 -0.059 25871 4206 1 6 . 1 1 891 891 ASP H H 891 8.387 8.387 8.612 -0.225 25871 4207 1 7 . 1 1 743 743 ILE N N 743 122.085 122.085 122.335 -0.250 25871 4208 1 7 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.078 0.278 25871 4209 1 7 . 1 1 743 743 ILE CA C 743 60.624 60.624 62.447 -1.823 25871 4210 1 7 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.266 0.757 25871 4211 1 7 . 1 1 743 743 ILE H H 743 8.122 8.122 7.927 0.195 25871 4212 1 7 . 1 1 744 744 SER N N 744 123.378 123.378 122.632 0.746 25871 4213 1 7 . 1 1 744 744 SER HA H 744 4.472 4.472 4.620 -0.148 25871 4214 1 7 . 1 1 744 744 SER CA C 744 57.581 57.581 57.145 0.436 25871 4215 1 7 . 1 1 744 744 SER CB C 744 65.276 65.276 64.898 0.378 25871 4216 1 7 . 1 1 744 744 SER H H 744 8.844 8.844 8.203 0.641 25871 4217 1 7 . 1 1 745 745 GLN N N 745 121.612 121.612 121.598 0.014 25871 4218 1 7 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.071 -0.093 25871 4219 1 7 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.472 -0.585 25871 4220 1 7 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.600 -0.074 25871 4221 1 7 . 1 1 745 745 GLN H H 745 9.035 9.035 8.950 0.085 25871 4222 1 7 . 1 1 746 746 GLU N N 746 118.618 118.618 116.599 2.019 25871 4223 1 7 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.129 -0.095 25871 4224 1 7 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.824 1.473 25871 4225 1 7 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.747 0.197 25871 4226 1 7 . 1 1 746 746 GLU H H 746 8.718 8.718 8.834 -0.116 25871 4227 1 7 . 1 1 747 747 GLN N N 747 120.436 120.436 119.735 0.701 25871 4228 1 7 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.095 -0.271 25871 4229 1 7 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.826 -0.322 25871 4230 1 7 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.179 -0.224 25871 4231 1 7 . 1 1 747 747 GLN H H 747 7.821 7.821 7.427 0.394 25871 4232 1 7 . 1 1 748 748 MET N N 748 119.174 119.174 117.714 1.460 25871 4233 1 7 . 1 1 748 748 MET HA H 748 4.228 4.228 4.523 -0.295 25871 4234 1 7 . 1 1 748 748 MET CA C 748 58.305 58.305 59.257 -0.952 25871 4235 1 7 . 1 1 748 748 MET CB C 748 30.922 30.922 32.235 -1.313 25871 4236 1 7 . 1 1 748 748 MET H H 748 8.477 8.477 8.310 0.167 25871 4237 1 7 . 1 1 749 749 ASN N N 749 117.610 117.610 119.658 -2.048 25871 4238 1 7 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.437 0.068 25871 4239 1 7 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.825 -0.863 25871 4240 1 7 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.382 -0.477 25871 4241 1 7 . 1 1 749 749 ASN H H 749 8.302 8.302 8.038 0.264 25871 4242 1 7 . 1 1 750 750 GLU N N 750 122.737 122.737 120.210 2.527 25871 4243 1 7 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.085 0.161 25871 4244 1 7 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.714 0.811 25871 4245 1 7 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.036 0.373 25871 4246 1 7 . 1 1 750 750 GLU H H 750 7.789 7.789 7.861 -0.072 25871 4247 1 7 . 1 1 751 751 PHE N N 751 120.358 120.358 121.664 -1.306 25871 4248 1 7 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.543 0.435 25871 4249 1 7 . 1 1 751 751 PHE CA C 751 58.643 58.643 61.727 -3.084 25871 4250 1 7 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.934 -1.456 25871 4251 1 7 . 1 1 751 751 PHE H H 751 8.772 8.772 8.571 0.201 25871 4252 1 7 . 1 1 752 752 ARG N N 752 120.173 120.173 119.396 0.777 25871 4253 1 7 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.379 -0.232 25871 4254 1 7 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.700 -2.900 25871 4255 1 7 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.162 0.200 25871 4256 1 7 . 1 1 752 752 ARG H H 752 8.990 8.990 8.673 0.317 25871 4257 1 7 . 1 1 753 753 ALA N N 753 120.965 120.965 122.240 -1.275 25871 4258 1 7 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.261 -0.006 25871 4259 1 7 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.270 0.155 25871 4260 1 7 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.305 -0.293 25871 4261 1 7 . 1 1 753 753 ALA H H 753 8.136 8.136 8.507 -0.371 25871 4262 1 7 . 1 1 754 754 SER N N 754 115.350 115.350 115.610 -0.260 25871 4263 1 7 . 1 1 754 754 SER HA H 754 4.451 4.451 4.436 0.015 25871 4264 1 7 . 1 1 754 754 SER CA C 754 63.045 63.045 61.645 1.400 25871 4265 1 7 . 1 1 754 754 SER CB C 754 63.111 63.111 63.496 -0.385 25871 4266 1 7 . 1 1 754 754 SER H H 754 8.366 8.366 8.571 -0.205 25871 4267 1 7 . 1 1 755 755 PHE N N 755 121.902 121.902 123.889 -1.987 25871 4268 1 7 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.315 -0.329 25871 4269 1 7 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.532 1.821 25871 4270 1 7 . 1 1 755 755 PHE CB C 755 40.165 40.165 38.991 1.174 25871 4271 1 7 . 1 1 755 755 PHE H H 755 8.498 8.498 8.088 0.410 25871 4272 1 7 . 1 1 756 756 ASN N N 756 114.071 114.071 117.617 -3.546 25871 4273 1 7 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.738 0.792 25871 4274 1 7 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.443 0.361 25871 4275 1 7 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.495 -0.562 25871 4276 1 7 . 1 1 756 756 ASN H H 756 8.722 8.722 7.997 0.725 25871 4277 1 7 . 1 1 757 757 HIS N N 757 119.524 119.524 118.974 0.550 25871 4278 1 7 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.269 -0.147 25871 4279 1 7 . 1 1 757 757 HIS CA C 757 59.470 59.470 58.670 0.800 25871 4280 1 7 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.307 -0.260 25871 4281 1 7 . 1 1 757 757 HIS H H 757 8.027 8.027 7.980 0.047 25871 4282 1 7 . 1 1 758 758 PHE N N 758 113.439 113.439 114.222 -0.783 25871 4283 1 7 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.328 -0.221 25871 4284 1 7 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.355 0.713 25871 4285 1 7 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.701 0.287 25871 4286 1 7 . 1 1 758 758 PHE H H 758 7.322 7.322 7.990 -0.668 25871 4287 1 7 . 1 1 759 759 ASP N N 759 121.632 121.632 119.686 1.946 25871 4288 1 7 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.749 -0.133 25871 4289 1 7 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.413 0.195 25871 4290 1 7 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.008 -0.327 25871 4291 1 7 . 1 1 759 759 ASP H H 759 7.439 7.439 8.453 -1.014 25871 4292 1 7 . 1 1 760 760 ARG N N 760 123.429 123.429 121.789 1.640 25871 4293 1 7 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.906 -0.081 25871 4294 1 7 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.307 1.324 25871 4295 1 7 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.129 -0.056 25871 4296 1 7 . 1 1 760 760 ARG H H 760 7.797 7.797 7.668 0.129 25871 4297 1 7 . 1 1 761 761 ASP N N 761 115.027 115.027 117.566 -2.539 25871 4298 1 7 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.579 -0.097 25871 4299 1 7 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.591 -1.113 25871 4300 1 7 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.201 -1.701 25871 4301 1 7 . 1 1 761 761 ASP H H 761 8.470 8.470 7.779 0.691 25871 4302 1 7 . 1 1 762 762 HIS N N 762 117.442 117.442 116.941 0.501 25871 4303 1 7 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.413 -0.176 25871 4304 1 7 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.794 -0.301 25871 4305 1 7 . 1 1 762 762 HIS CB C 762 26.581 26.581 26.954 -0.373 25871 4306 1 7 . 1 1 762 762 HIS H H 762 7.716 7.716 7.603 0.113 25871 4307 1 7 . 1 1 763 763 SER N N 763 117.624 117.624 114.153 3.471 25871 4308 1 7 . 1 1 763 763 SER HA H 763 4.441 4.441 4.410 0.031 25871 4309 1 7 . 1 1 763 763 SER CA C 763 59.706 59.706 60.547 -0.841 25871 4310 1 7 . 1 1 763 763 SER CB C 763 65.228 65.228 64.281 0.947 25871 4311 1 7 . 1 1 763 763 SER H H 763 9.708 9.708 8.496 1.212 25871 4312 1 7 . 1 1 764 764 GLY N N 764 117.320 117.320 110.786 6.534 25871 4313 1 7 . 1 1 764 764 GLY CA C 764 45.759 45.759 46.353 -0.594 25871 4314 1 7 . 1 1 764 764 GLY H H 764 11.185 11.185 9.439 1.746 25871 4315 1 7 . 1 1 765 765 THR N N 765 110.392 110.392 110.626 -0.234 25871 4316 1 7 . 1 1 765 765 THR HA H 765 5.197 5.197 5.128 0.069 25871 4317 1 7 . 1 1 765 765 THR CA C 765 59.125 59.125 60.610 -1.485 25871 4318 1 7 . 1 1 765 765 THR CB C 765 73.022 73.022 72.046 0.976 25871 4319 1 7 . 1 1 765 765 THR H H 765 7.972 7.972 7.495 0.477 25871 4320 1 7 . 1 1 766 766 LEU N N 766 117.658 117.658 119.026 -1.368 25871 4321 1 7 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.732 0.092 25871 4322 1 7 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.058 -0.306 25871 4323 1 7 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.662 -1.449 25871 4324 1 7 . 1 1 766 766 LEU H H 766 8.589 8.589 8.345 0.244 25871 4325 1 7 . 1 1 767 767 GLY N N 767 108.644 108.644 107.389 1.255 25871 4326 1 7 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.735 0.201 25871 4327 1 7 . 1 1 767 767 GLY H H 767 8.601 8.601 8.548 0.053 25871 4328 1 7 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.402 -0.121 25871 4329 1 7 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.418 1.456 25871 4330 1 7 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.137 0.054 25871 4331 1 7 . 1 1 769 769 GLU N N 769 115.170 115.170 119.369 -4.199 25871 4332 1 7 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.907 0.025 25871 4333 1 7 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.208 0.565 25871 4334 1 7 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.136 -0.308 25871 4335 1 7 . 1 1 769 769 GLU H H 769 8.649 8.649 8.788 -0.139 25871 4336 1 7 . 1 1 770 770 GLU N N 770 121.294 121.294 121.059 0.235 25871 4337 1 7 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.185 -0.072 25871 4338 1 7 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.297 0.321 25871 4339 1 7 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.087 1.216 25871 4340 1 7 . 1 1 770 770 GLU H H 770 7.846 7.846 8.140 -0.294 25871 4341 1 7 . 1 1 771 771 PHE N N 771 119.292 119.292 118.628 0.664 25871 4342 1 7 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.104 0.138 25871 4343 1 7 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.822 -0.718 25871 4344 1 7 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.805 -0.079 25871 4345 1 7 . 1 1 771 771 PHE H H 771 8.876 8.876 8.422 0.454 25871 4346 1 7 . 1 1 772 772 LYS N N 772 120.139 120.139 120.461 -0.322 25871 4347 1 7 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.939 -0.763 25871 4348 1 7 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.470 1.015 25871 4349 1 7 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.255 -0.571 25871 4350 1 7 . 1 1 772 772 LYS H H 772 8.404 8.404 7.610 0.794 25871 4351 1 7 . 1 1 773 773 ALA N N 773 118.856 118.856 121.652 -2.796 25871 4352 1 7 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.143 -0.351 25871 4353 1 7 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.376 0.591 25871 4354 1 7 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.329 -0.383 25871 4355 1 7 . 1 1 773 773 ALA H H 773 7.180 7.180 8.121 -0.941 25871 4356 1 7 . 1 1 774 774 CYS N N 774 121.600 121.600 117.808 3.792 25871 4357 1 7 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.798 0.388 25871 4358 1 7 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.683 -0.104 25871 4359 1 7 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.648 -0.618 25871 4360 1 7 . 1 1 774 774 CYS H H 774 7.731 7.731 7.474 0.257 25871 4361 1 7 . 1 1 775 775 LEU N N 775 120.029 120.029 119.897 0.132 25871 4362 1 7 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.586 0.253 25871 4363 1 7 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.343 1.006 25871 4364 1 7 . 1 1 775 775 LEU CB C 775 40.528 40.528 40.985 -0.457 25871 4365 1 7 . 1 1 775 775 LEU H H 775 8.353 8.353 7.083 1.270 25871 4366 1 7 . 1 1 776 776 ILE N N 776 121.900 121.900 119.171 2.729 25871 4367 1 7 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.127 0.102 25871 4368 1 7 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.496 1.028 25871 4369 1 7 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.613 0.648 25871 4370 1 7 . 1 1 776 776 ILE H H 776 8.405 8.405 7.254 1.151 25871 4371 1 7 . 1 1 777 777 SER N N 777 119.490 119.490 115.973 3.517 25871 4372 1 7 . 1 1 777 777 SER HA H 777 4.435 4.435 4.298 0.137 25871 4373 1 7 . 1 1 777 777 SER CA C 777 61.843 61.843 61.343 0.500 25871 4374 1 7 . 1 1 777 777 SER CB C 777 62.953 62.953 63.043 -0.090 25871 4375 1 7 . 1 1 777 777 SER H H 777 8.144 8.144 7.859 0.285 25871 4376 1 7 . 1 1 778 778 LEU N N 778 122.142 122.142 118.611 3.531 25871 4377 1 7 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.496 0.146 25871 4378 1 7 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.149 -0.072 25871 4379 1 7 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.823 -0.203 25871 4380 1 7 . 1 1 778 778 LEU H H 778 7.644 7.644 7.756 -0.112 25871 4381 1 7 . 1 1 779 779 GLY N N 779 106.613 106.613 106.422 0.191 25871 4382 1 7 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.623 0.527 25871 4383 1 7 . 1 1 779 779 GLY H H 779 7.982 7.982 7.657 0.325 25871 4384 1 7 . 1 1 780 780 TYR N N 780 121.620 121.620 119.273 2.347 25871 4385 1 7 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.584 -0.419 25871 4386 1 7 . 1 1 780 780 TYR CA C 780 59.373 59.373 56.497 2.876 25871 4387 1 7 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.590 -1.196 25871 4388 1 7 . 1 1 780 780 TYR H H 780 8.174 8.174 7.737 0.437 25871 4389 1 7 . 1 1 781 781 ASP N N 781 124.225 124.225 126.136 -1.911 25871 4390 1 7 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.803 -0.114 25871 4391 1 7 . 1 1 781 781 ASP CA C 781 53.565 53.565 54.686 -1.121 25871 4392 1 7 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.433 0.682 25871 4393 1 7 . 1 1 781 781 ASP H H 781 8.650 8.650 8.999 -0.349 25871 4394 1 7 . 1 1 782 782 ILE N N 782 123.492 123.492 120.922 2.570 25871 4395 1 7 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.238 0.011 25871 4396 1 7 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.612 -1.122 25871 4397 1 7 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.357 1.068 25871 4398 1 7 . 1 1 782 782 ILE H H 782 7.300 7.300 7.812 -0.512 25871 4399 1 7 . 1 1 783 783 GLY N N 783 113.404 113.404 112.440 0.964 25871 4400 1 7 . 1 1 783 783 GLY CA C 783 44.630 44.630 44.748 -0.118 25871 4401 1 7 . 1 1 783 783 GLY H H 783 8.345 8.345 8.535 -0.190 25871 4402 1 7 . 1 1 784 784 ASN N N 784 119.115 119.115 115.832 3.283 25871 4403 1 7 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.211 0.717 25871 4404 1 7 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.854 -1.799 25871 4405 1 7 . 1 1 784 784 ASN CB C 784 37.467 37.467 37.553 -0.086 25871 4406 1 7 . 1 1 784 784 ASN H H 784 8.476 8.476 8.402 0.074 25871 4407 1 7 . 1 1 785 785 ASP N N 785 119.675 119.675 119.416 0.259 25871 4408 1 7 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.723 0.097 25871 4409 1 7 . 1 1 785 785 ASP CA C 785 52.365 52.365 53.182 -0.817 25871 4410 1 7 . 1 1 785 785 ASP CB C 785 39.736 39.736 40.989 -1.253 25871 4411 1 7 . 1 1 785 785 ASP H H 785 8.081 8.081 7.906 0.175 25871 4412 1 7 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.321 -0.015 25871 4413 1 7 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.304 0.909 25871 4414 1 7 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.104 -0.124 25871 4415 1 7 . 1 1 787 787 GLN N N 787 118.154 118.154 118.778 -0.624 25871 4416 1 7 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.288 -0.110 25871 4417 1 7 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.545 0.888 25871 4418 1 7 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.498 0.170 25871 4419 1 7 . 1 1 787 787 GLN H H 787 8.413 8.413 8.616 -0.203 25871 4420 1 7 . 1 1 788 788 GLY N N 788 113.343 113.343 109.734 3.609 25871 4421 1 7 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.547 0.904 25871 4422 1 7 . 1 1 788 788 GLY H H 788 8.644 8.644 8.419 0.225 25871 4423 1 7 . 1 1 789 789 GLU N N 789 121.232 121.232 122.004 -0.772 25871 4424 1 7 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.081 0.080 25871 4425 1 7 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.829 -0.396 25871 4426 1 7 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.498 0.143 25871 4427 1 7 . 1 1 789 789 GLU H H 789 8.539 8.539 8.698 -0.159 25871 4428 1 7 . 1 1 790 790 ALA N N 790 122.805 122.805 121.220 1.585 25871 4429 1 7 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.125 0.148 25871 4430 1 7 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.166 -0.218 25871 4431 1 7 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.375 -0.474 25871 4432 1 7 . 1 1 790 790 ALA H H 790 8.035 8.035 7.568 0.467 25871 4433 1 7 . 1 1 791 791 GLU N N 791 122.504 122.504 117.330 5.174 25871 4434 1 7 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.146 0.603 25871 4435 1 7 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.790 0.677 25871 4436 1 7 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.649 -1.070 25871 4437 1 7 . 1 1 791 791 GLU H H 791 8.309 8.309 7.682 0.627 25871 4438 1 7 . 1 1 792 792 PHE N N 792 119.966 119.966 122.130 -2.164 25871 4439 1 7 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.225 -0.027 25871 4440 1 7 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.608 1.011 25871 4441 1 7 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.148 -0.683 25871 4442 1 7 . 1 1 792 792 PHE H H 792 8.835 8.835 8.478 0.357 25871 4443 1 7 . 1 1 793 793 ALA N N 793 119.978 119.978 122.203 -2.225 25871 4444 1 7 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.555 0.351 25871 4445 1 7 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.464 -0.444 25871 4446 1 7 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.161 -0.525 25871 4447 1 7 . 1 1 793 793 ALA H H 793 8.147 8.147 8.406 -0.259 25871 4448 1 7 . 1 1 794 794 ARG N N 794 121.286 121.286 115.434 5.852 25871 4449 1 7 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.093 -0.156 25871 4450 1 7 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.044 1.592 25871 4451 1 7 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.928 0.329 25871 4452 1 7 . 1 1 794 794 ARG H H 794 7.953 7.953 7.311 0.642 25871 4453 1 7 . 1 1 795 795 ILE N N 795 121.594 121.594 121.080 0.514 25871 4454 1 7 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.554 -0.243 25871 4455 1 7 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.802 1.374 25871 4456 1 7 . 1 1 795 795 ILE CB C 795 38.334 38.334 38.054 0.280 25871 4457 1 7 . 1 1 795 795 ILE H H 795 8.091 8.091 7.171 0.920 25871 4458 1 7 . 1 1 796 796 MET N N 796 118.593 118.593 117.288 1.305 25871 4459 1 7 . 1 1 796 796 MET HA H 796 4.266 4.266 4.045 0.221 25871 4460 1 7 . 1 1 796 796 MET CA C 796 56.204 56.204 58.973 -2.769 25871 4461 1 7 . 1 1 796 796 MET CB C 796 29.453 29.453 31.704 -2.251 25871 4462 1 7 . 1 1 796 796 MET H H 796 8.543 8.543 8.134 0.409 25871 4463 1 7 . 1 1 797 797 SER N N 797 114.792 114.792 114.726 0.066 25871 4464 1 7 . 1 1 797 797 SER HA H 797 4.131 4.131 4.261 -0.130 25871 4465 1 7 . 1 1 797 797 SER CA C 797 61.233 61.233 61.462 -0.228 25871 4466 1 7 . 1 1 797 797 SER CB C 797 63.017 63.017 62.980 0.037 25871 4467 1 7 . 1 1 797 797 SER H H 797 7.740 7.740 7.725 0.015 25871 4468 1 7 . 1 1 798 798 ILE N N 798 121.041 121.041 120.425 0.616 25871 4469 1 7 . 1 1 798 798 ILE HA H 798 3.869 3.869 3.965 -0.096 25871 4470 1 7 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.847 0.092 25871 4471 1 7 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.921 -0.030 25871 4472 1 7 . 1 1 798 798 ILE H H 798 7.352 7.352 7.628 -0.276 25871 4473 1 7 . 1 1 799 799 VAL N N 799 110.418 110.418 111.655 -1.237 25871 4474 1 7 . 1 1 799 799 VAL HA H 799 4.211 4.211 3.984 0.227 25871 4475 1 7 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.508 -0.324 25871 4476 1 7 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.515 -0.105 25871 4477 1 7 . 1 1 799 799 VAL H H 799 7.806 7.806 7.753 0.053 25871 4478 1 7 . 1 1 800 800 ASP N N 800 119.703 119.703 117.966 1.737 25871 4479 1 7 . 1 1 800 800 ASP HA H 800 5.257 5.257 4.951 0.306 25871 4480 1 7 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.556 0.179 25871 4481 1 7 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.667 -0.334 25871 4482 1 7 . 1 1 800 800 ASP H H 800 8.124 8.124 7.498 0.626 25871 4483 1 7 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.606 -0.246 25871 4484 1 7 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.111 0.924 25871 4485 1 7 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.196 -0.298 25871 4486 1 7 . 1 1 802 802 ASN N N 802 115.156 115.156 116.077 -0.921 25871 4487 1 7 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.649 0.130 25871 4488 1 7 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.090 0.138 25871 4489 1 7 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.841 -0.627 25871 4490 1 7 . 1 1 802 802 ASN H H 802 8.967 8.967 7.910 1.057 25871 4491 1 7 . 1 1 803 803 ARG N N 803 117.568 117.568 116.026 1.542 25871 4492 1 7 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.144 -0.295 25871 4493 1 7 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.459 0.517 25871 4494 1 7 . 1 1 803 803 ARG CB C 803 26.440 26.440 26.842 -0.402 25871 4495 1 7 . 1 1 803 803 ARG H H 803 8.013 8.013 7.887 0.126 25871 4496 1 7 . 1 1 804 804 LEU N N 804 122.899 122.899 120.036 2.863 25871 4497 1 7 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.202 0.010 25871 4498 1 7 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.889 0.272 25871 4499 1 7 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.293 0.595 25871 4500 1 7 . 1 1 804 804 LEU H H 804 10.338 10.338 8.836 1.502 25871 4501 1 7 . 1 1 805 805 GLY N N 805 110.909 110.909 106.794 4.115 25871 4502 1 7 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.481 -0.200 25871 4503 1 7 . 1 1 805 805 GLY H H 805 10.955 10.955 9.075 1.880 25871 4504 1 7 . 1 1 806 806 VAL N N 806 111.683 111.683 114.267 -2.584 25871 4505 1 7 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.164 -0.581 25871 4506 1 7 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.990 -0.576 25871 4507 1 7 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.512 0.791 25871 4508 1 7 . 1 1 806 806 VAL H H 806 6.806 6.806 7.415 -0.609 25871 4509 1 7 . 1 1 807 807 VAL N N 807 123.649 123.649 120.801 2.848 25871 4510 1 7 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.412 -0.226 25871 4511 1 7 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.659 1.021 25871 4512 1 7 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.374 -2.471 25871 4513 1 7 . 1 1 807 807 VAL H H 807 9.156 9.156 8.744 0.412 25871 4514 1 7 . 1 1 808 808 THR N N 808 116.404 116.404 118.894 -2.490 25871 4515 1 7 . 1 1 808 808 THR HA H 808 4.782 4.782 4.814 -0.032 25871 4516 1 7 . 1 1 808 808 THR CA C 808 62.526 62.526 58.825 3.701 25871 4517 1 7 . 1 1 808 808 THR CB C 808 69.707 69.707 70.806 -1.099 25871 4518 1 7 . 1 1 808 808 THR H H 808 7.948 7.948 8.223 -0.275 25871 4519 1 7 . 1 1 809 809 PHE N N 809 121.514 121.514 124.331 -2.817 25871 4520 1 7 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.425 -0.923 25871 4521 1 7 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.315 -0.537 25871 4522 1 7 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.943 -0.507 25871 4523 1 7 . 1 1 809 809 PHE H H 809 8.528 8.528 8.561 -0.033 25871 4524 1 7 . 1 1 810 810 GLN N N 810 116.869 116.869 118.282 -1.413 25871 4525 1 7 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.645 -0.024 25871 4526 1 7 . 1 1 810 810 GLN CA C 810 58.548 58.548 58.027 0.521 25871 4527 1 7 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.988 0.409 25871 4528 1 7 . 1 1 810 810 GLN H H 810 8.638 8.638 8.013 0.625 25871 4529 1 7 . 1 1 811 811 ALA N N 811 121.318 121.318 122.553 -1.235 25871 4530 1 7 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.990 0.158 25871 4531 1 7 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.551 0.538 25871 4532 1 7 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.640 0.600 25871 4533 1 7 . 1 1 811 811 ALA H H 811 7.795 7.795 7.553 0.242 25871 4534 1 7 . 1 1 812 812 PHE N N 812 119.498 119.498 116.216 3.282 25871 4535 1 7 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.853 0.324 25871 4536 1 7 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.221 1.276 25871 4537 1 7 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.713 0.313 25871 4538 1 7 . 1 1 812 812 PHE H H 812 8.093 8.093 7.641 0.452 25871 4539 1 7 . 1 1 813 813 ILE N N 813 119.554 119.554 118.081 1.473 25871 4540 1 7 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.622 0.523 25871 4541 1 7 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.808 -0.632 25871 4542 1 7 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.735 0.055 25871 4543 1 7 . 1 1 813 813 ILE H H 813 8.316 8.316 6.506 1.810 25871 4544 1 7 . 1 1 814 814 ASP N N 814 123.772 123.772 120.347 3.425 25871 4545 1 7 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.177 0.063 25871 4546 1 7 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.717 0.186 25871 4547 1 7 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.871 -0.629 25871 4548 1 7 . 1 1 814 814 ASP H H 814 8.434 8.434 7.237 1.197 25871 4549 1 7 . 1 1 815 815 PHE N N 815 121.079 121.079 114.714 6.365 25871 4550 1 7 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.386 -0.213 25871 4551 1 7 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.466 2.659 25871 4552 1 7 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.109 1.183 25871 4553 1 7 . 1 1 815 815 PHE H H 815 7.904 7.904 6.978 0.926 25871 4554 1 7 . 1 1 816 816 MET N N 816 117.231 117.231 121.311 -4.080 25871 4555 1 7 . 1 1 816 816 MET HA H 816 3.864 3.864 4.280 -0.416 25871 4556 1 7 . 1 1 816 816 MET CA C 816 55.934 55.934 58.165 -2.231 25871 4557 1 7 . 1 1 816 816 MET CB C 816 30.451 30.451 31.193 -0.742 25871 4558 1 7 . 1 1 816 816 MET H H 816 8.270 8.270 7.149 1.121 25871 4559 1 7 . 1 1 817 817 SER N N 817 114.308 114.308 113.601 0.707 25871 4560 1 7 . 1 1 817 817 SER HA H 817 4.209 4.209 4.173 0.036 25871 4561 1 7 . 1 1 817 817 SER CA C 817 60.410 60.410 60.327 0.083 25871 4562 1 7 . 1 1 817 817 SER CB C 817 63.328 63.328 62.853 0.475 25871 4563 1 7 . 1 1 817 817 SER H H 817 8.100 8.100 7.657 0.443 25871 4564 1 7 . 1 1 818 818 ARG N N 818 121.459 121.459 120.173 1.286 25871 4565 1 7 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.311 -0.147 25871 4566 1 7 . 1 1 818 818 ARG CA C 818 57.468 57.468 57.431 0.037 25871 4567 1 7 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.082 0.303 25871 4568 1 7 . 1 1 818 818 ARG H H 818 7.329 7.329 7.871 -0.542 25871 4569 1 7 . 1 1 819 819 GLU N N 819 119.944 119.944 119.175 0.769 25871 4570 1 7 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.334 -0.170 25871 4571 1 7 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.536 -1.069 25871 4572 1 7 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.227 1.299 25871 4573 1 7 . 1 1 819 819 GLU H H 819 8.059 8.059 8.343 -0.284 25871 4574 1 7 . 1 1 820 820 THR N N 820 112.658 112.658 113.822 -1.164 25871 4575 1 7 . 1 1 820 820 THR HA H 820 4.309 4.309 4.203 0.106 25871 4576 1 7 . 1 1 820 820 THR CA C 820 62.191 62.191 62.063 0.128 25871 4577 1 7 . 1 1 820 820 THR CB C 820 69.877 69.877 69.180 0.697 25871 4578 1 7 . 1 1 820 820 THR H H 820 7.789 7.789 7.649 0.140 25871 4579 1 7 . 1 1 821 821 ALA N N 821 126.145 126.145 121.690 4.455 25871 4580 1 7 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.221 0.111 25871 4581 1 7 . 1 1 821 821 ALA CA C 821 52.816 52.816 52.862 -0.046 25871 4582 1 7 . 1 1 821 821 ALA CB C 821 19.459 19.459 18.980 0.479 25871 4583 1 7 . 1 1 821 821 ALA H H 821 8.003 8.003 7.736 0.267 25871 4584 1 7 . 1 1 822 822 ASP N N 822 120.003 120.003 120.970 -0.967 25871 4585 1 7 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.829 -0.187 25871 4586 1 7 . 1 1 822 822 ASP CA C 822 54.439 54.439 54.039 0.400 25871 4587 1 7 . 1 1 822 822 ASP CB C 822 40.866 40.866 44.167 -3.301 25871 4588 1 7 . 1 1 822 822 ASP H H 822 8.330 8.330 8.427 -0.097 25871 4589 1 7 . 1 1 823 823 THR N N 823 114.181 114.181 115.696 -1.515 25871 4590 1 7 . 1 1 823 823 THR HA H 823 4.304 4.304 4.442 -0.138 25871 4591 1 7 . 1 1 823 823 THR CA C 823 62.284 62.284 61.146 1.138 25871 4592 1 7 . 1 1 823 823 THR CB C 823 69.738 69.738 70.061 -0.323 25871 4593 1 7 . 1 1 823 823 THR H H 823 8.093 8.093 8.053 0.040 25871 4594 1 7 . 1 1 824 824 ASP N N 824 123.285 123.285 123.991 -0.706 25871 4595 1 7 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.839 -0.188 25871 4596 1 7 . 1 1 824 824 ASP CA C 824 54.595 54.595 54.657 -0.062 25871 4597 1 7 . 1 1 824 824 ASP CB C 824 41.145 41.145 41.764 -0.619 25871 4598 1 7 . 1 1 824 824 ASP H H 824 8.426 8.426 8.357 0.069 25871 4599 1 7 . 1 1 825 825 THR N N 825 114.970 114.970 112.115 2.855 25871 4600 1 7 . 1 1 825 825 THR HA H 825 4.313 4.313 4.635 -0.322 25871 4601 1 7 . 1 1 825 825 THR CA C 825 62.329 62.329 60.674 1.655 25871 4602 1 7 . 1 1 825 825 THR CB C 825 69.541 69.541 71.337 -1.796 25871 4603 1 7 . 1 1 825 825 THR H H 825 8.157 8.157 7.747 0.410 25871 4604 1 7 . 1 1 826 826 ALA N N 826 124.991 124.991 125.563 -0.572 25871 4605 1 7 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.186 0.015 25871 4606 1 7 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.438 0.035 25871 4607 1 7 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.032 0.664 25871 4608 1 7 . 1 1 826 826 ALA H H 826 8.374 8.374 8.890 -0.516 25871 4609 1 7 . 1 1 827 827 ASP N N 827 117.795 117.795 118.090 -0.295 25871 4610 1 7 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.379 0.083 25871 4611 1 7 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.543 -1.392 25871 4612 1 7 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.401 0.528 25871 4613 1 7 . 1 1 827 827 ASP H H 827 8.255 8.255 8.783 -0.528 25871 4614 1 7 . 1 1 828 828 GLN N N 828 120.646 120.646 118.828 1.818 25871 4615 1 7 . 1 1 828 828 GLN HA H 828 4.121 4.121 4.067 0.054 25871 4616 1 7 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.693 -0.743 25871 4617 1 7 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.715 -0.129 25871 4618 1 7 . 1 1 828 828 GLN H H 828 8.086 8.086 7.659 0.427 25871 4619 1 7 . 1 1 829 829 VAL N N 829 120.933 120.933 119.532 1.401 25871 4620 1 7 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.734 -0.183 25871 4621 1 7 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.721 0.600 25871 4622 1 7 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.814 -0.064 25871 4623 1 7 . 1 1 829 829 VAL H H 829 8.048 8.048 7.532 0.516 25871 4624 1 7 . 1 1 830 830 MET N N 830 119.386 119.386 121.272 -1.886 25871 4625 1 7 . 1 1 830 830 MET HA H 830 4.030 4.030 4.496 -0.466 25871 4626 1 7 . 1 1 830 830 MET CA C 830 58.013 58.013 58.503 -0.490 25871 4627 1 7 . 1 1 830 830 MET CB C 830 32.110 32.110 32.363 -0.253 25871 4628 1 7 . 1 1 830 830 MET H H 830 8.088 8.088 8.674 -0.586 25871 4629 1 7 . 1 1 831 831 ALA N N 831 121.027 121.027 120.819 0.208 25871 4630 1 7 . 1 1 831 831 ALA HA H 831 4.075 4.075 3.993 0.082 25871 4631 1 7 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.674 -1.055 25871 4632 1 7 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.102 0.024 25871 4633 1 7 . 1 1 831 831 ALA H H 831 7.829 7.829 8.122 -0.293 25871 4634 1 7 . 1 1 832 832 SER N N 832 114.314 114.314 114.700 -0.386 25871 4635 1 7 . 1 1 832 832 SER HA H 832 4.181 4.181 4.150 0.031 25871 4636 1 7 . 1 1 832 832 SER CA C 832 61.039 61.039 61.171 -0.132 25871 4637 1 7 . 1 1 832 832 SER CB C 832 62.671 62.671 62.482 0.189 25871 4638 1 7 . 1 1 832 832 SER H H 832 7.711 7.711 7.311 0.400 25871 4639 1 7 . 1 1 833 833 PHE N N 833 121.898 121.898 122.355 -0.457 25871 4640 1 7 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.199 0.031 25871 4641 1 7 . 1 1 833 833 PHE CA C 833 58.434 58.434 60.066 -1.632 25871 4642 1 7 . 1 1 833 833 PHE CB C 833 38.249 38.249 38.088 0.161 25871 4643 1 7 . 1 1 833 833 PHE H H 833 7.717 7.717 7.337 0.380 25871 4644 1 7 . 1 1 834 834 LYS N N 834 118.752 118.752 119.552 -0.800 25871 4645 1 7 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.970 -0.348 25871 4646 1 7 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.063 0.362 25871 4647 1 7 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.189 -0.005 25871 4648 1 7 . 1 1 834 834 LYS H H 834 7.844 7.844 7.931 -0.087 25871 4649 1 7 . 1 1 835 835 ILE N N 835 118.528 118.528 117.484 1.044 25871 4650 1 7 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.820 -0.050 25871 4651 1 7 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.050 -0.331 25871 4652 1 7 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.464 -0.558 25871 4653 1 7 . 1 1 835 835 ILE H H 835 7.311 7.311 7.242 0.069 25871 4654 1 7 . 1 1 836 836 LEU N N 836 121.176 121.176 116.363 4.813 25871 4655 1 7 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.344 -0.354 25871 4656 1 7 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.697 0.469 25871 4657 1 7 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.863 0.633 25871 4658 1 7 . 1 1 836 836 LEU H H 836 7.617 7.617 7.121 0.496 25871 4659 1 7 . 1 1 837 837 ALA N N 837 119.189 119.189 120.795 -1.606 25871 4660 1 7 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.420 -0.496 25871 4661 1 7 . 1 1 837 837 ALA CA C 837 53.417 53.417 51.423 1.994 25871 4662 1 7 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.252 1.140 25871 4663 1 7 . 1 1 837 837 ALA H H 837 8.092 8.092 8.387 -0.295 25871 4664 1 7 . 1 1 838 838 GLY N N 838 106.965 106.965 108.729 -1.764 25871 4665 1 7 . 1 1 838 838 GLY CA C 838 47.029 47.029 47.047 -0.018 25871 4666 1 7 . 1 1 838 838 GLY H H 838 7.667 7.667 8.413 -0.746 25871 4667 1 7 . 1 1 839 839 ASP N N 839 122.392 122.392 119.903 2.489 25871 4668 1 7 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.662 -0.145 25871 4669 1 7 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.178 -0.597 25871 4670 1 7 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.047 -0.463 25871 4671 1 7 . 1 1 839 839 ASP H H 839 8.703 8.703 8.498 0.205 25871 4672 1 7 . 1 1 840 840 LYS N N 840 117.603 117.603 117.640 -0.037 25871 4673 1 7 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.710 -0.378 25871 4674 1 7 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.515 1.452 25871 4675 1 7 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.237 -1.486 25871 4676 1 7 . 1 1 840 840 LYS H H 840 7.592 7.592 7.885 -0.293 25871 4677 1 7 . 1 1 841 841 ASN N N 841 116.654 116.654 116.876 -0.222 25871 4678 1 7 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.925 -0.283 25871 4679 1 7 . 1 1 841 841 ASN CA C 841 53.696 53.696 52.891 0.805 25871 4680 1 7 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.123 0.133 25871 4681 1 7 . 1 1 841 841 ASN H H 841 8.689 8.689 8.887 -0.198 25871 4682 1 7 . 1 1 842 842 TYR N N 842 112.231 112.231 113.915 -1.684 25871 4683 1 7 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.886 0.127 25871 4684 1 7 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.017 -1.884 25871 4685 1 7 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.246 1.382 25871 4686 1 7 . 1 1 842 842 TYR H H 842 6.638 6.638 7.265 -0.627 25871 4687 1 7 . 1 1 843 843 ILE N N 843 115.455 115.455 119.472 -4.017 25871 4688 1 7 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.592 0.208 25871 4689 1 7 . 1 1 843 843 ILE CA C 843 59.462 59.462 58.579 0.883 25871 4690 1 7 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.931 0.538 25871 4691 1 7 . 1 1 843 843 ILE H H 843 8.626 8.626 9.183 -0.557 25871 4692 1 7 . 1 1 844 844 THR N N 844 117.140 117.140 116.605 0.535 25871 4693 1 7 . 1 1 844 844 THR HA H 844 5.393 5.393 5.244 0.149 25871 4694 1 7 . 1 1 844 844 THR CA C 844 60.380 60.380 59.581 0.799 25871 4695 1 7 . 1 1 844 844 THR CB C 844 71.475 71.475 71.206 0.269 25871 4696 1 7 . 1 1 844 844 THR H H 844 9.329 9.329 8.736 0.593 25871 4697 1 7 . 1 1 845 845 MET N N 845 119.879 119.879 119.751 0.128 25871 4698 1 7 . 1 1 845 845 MET HA H 845 3.852 3.852 4.026 -0.174 25871 4699 1 7 . 1 1 845 845 MET CA C 845 60.389 60.389 60.450 -0.061 25871 4700 1 7 . 1 1 845 845 MET CB C 845 33.110 33.110 32.151 0.959 25871 4701 1 7 . 1 1 845 845 MET H H 845 8.555 8.555 8.711 -0.156 25871 4702 1 7 . 1 1 846 846 ASP N N 846 116.360 116.360 119.344 -2.984 25871 4703 1 7 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.387 -0.077 25871 4704 1 7 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.315 0.174 25871 4705 1 7 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.906 -0.234 25871 4706 1 7 . 1 1 846 846 ASP H H 846 8.375 8.375 8.405 -0.030 25871 4707 1 7 . 1 1 847 847 GLU N N 847 120.575 120.575 119.897 0.678 25871 4708 1 7 . 1 1 847 847 GLU HA H 847 3.886 3.886 3.990 -0.104 25871 4709 1 7 . 1 1 847 847 GLU CA C 847 59.754 59.754 59.468 0.286 25871 4710 1 7 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.800 -0.043 25871 4711 1 7 . 1 1 847 847 GLU H H 847 7.852 7.852 7.612 0.240 25871 4712 1 7 . 1 1 848 848 LEU N N 848 118.753 118.753 117.832 0.921 25871 4713 1 7 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.245 -0.385 25871 4714 1 7 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.137 0.546 25871 4715 1 7 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.444 1.080 25871 4716 1 7 . 1 1 848 848 LEU H H 848 7.834 7.834 8.033 -0.199 25871 4717 1 7 . 1 1 849 849 ARG N N 849 113.976 113.976 118.582 -4.606 25871 4718 1 7 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.125 -0.165 25871 4719 1 7 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.287 0.309 25871 4720 1 7 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.110 0.035 25871 4721 1 7 . 1 1 849 849 ARG H H 849 8.055 8.055 7.675 0.380 25871 4722 1 7 . 1 1 850 850 ARG N N 850 118.184 118.184 118.182 0.002 25871 4723 1 7 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.228 0.003 25871 4724 1 7 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.558 -0.179 25871 4725 1 7 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.816 1.298 25871 4726 1 7 . 1 1 850 850 ARG H H 850 7.739 7.739 7.754 -0.015 25871 4727 1 7 . 1 1 851 851 GLU N N 851 115.550 115.550 119.169 -3.619 25871 4728 1 7 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.266 0.114 25871 4729 1 7 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.137 -1.143 25871 4730 1 7 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.698 0.987 25871 4731 1 7 . 1 1 851 851 GLU H H 851 7.591 7.591 7.650 -0.059 25871 4732 1 7 . 1 1 852 852 LEU N N 852 119.170 119.170 119.759 -0.589 25871 4733 1 7 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.839 0.087 25871 4734 1 7 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.364 -0.073 25871 4735 1 7 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.744 0.894 25871 4736 1 7 . 1 1 852 852 LEU H H 852 7.891 7.891 7.612 0.279 25871 4737 1 7 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.604 -0.299 25871 4738 1 7 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.671 3.731 25871 4739 1 7 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.221 0.103 25871 4740 1 7 . 1 1 855 855 ASP N N 855 114.853 114.853 118.551 -3.698 25871 4741 1 7 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.331 0.048 25871 4742 1 7 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.097 -0.040 25871 4743 1 7 . 1 1 855 855 ASP CB C 855 39.239 39.239 39.937 -0.698 25871 4744 1 7 . 1 1 855 855 ASP H H 855 8.796 8.796 8.610 0.186 25871 4745 1 7 . 1 1 856 856 GLN N N 856 121.513 121.513 118.579 2.934 25871 4746 1 7 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.930 0.310 25871 4747 1 7 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.547 -0.163 25871 4748 1 7 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.893 1.450 25871 4749 1 7 . 1 1 856 856 GLN H H 856 7.471 7.471 8.384 -0.913 25871 4750 1 7 . 1 1 857 857 ALA N N 857 122.821 122.821 121.952 0.869 25871 4751 1 7 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.016 -0.186 25871 4752 1 7 . 1 1 857 857 ALA CA C 857 56.405 56.405 56.012 0.393 25871 4753 1 7 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.311 -0.327 25871 4754 1 7 . 1 1 857 857 ALA H H 857 8.889 8.889 8.310 0.579 25871 4755 1 7 . 1 1 858 858 GLU N N 858 114.091 114.091 119.031 -4.940 25871 4756 1 7 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.044 0.012 25871 4757 1 7 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.601 -0.820 25871 4758 1 7 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.579 -0.912 25871 4759 1 7 . 1 1 858 858 GLU H H 858 8.143 8.143 7.800 0.343 25871 4760 1 7 . 1 1 859 859 TYR N N 859 120.670 120.670 119.061 1.609 25871 4761 1 7 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.273 -0.146 25871 4762 1 7 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.013 0.135 25871 4763 1 7 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.938 0.800 25871 4764 1 7 . 1 1 859 859 TYR H H 859 7.708 7.708 8.760 -1.052 25871 4765 1 7 . 1 1 860 860 CYS N N 860 115.848 115.848 117.858 -2.010 25871 4766 1 7 . 1 1 860 860 CYS HA H 860 4.188 4.188 3.939 0.249 25871 4767 1 7 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.137 0.301 25871 4768 1 7 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.310 0.155 25871 4769 1 7 . 1 1 860 860 CYS H H 860 8.119 8.119 8.004 0.115 25871 4770 1 7 . 1 1 861 861 ILE N N 861 120.124 120.124 120.939 -0.815 25871 4771 1 7 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.561 -0.197 25871 4772 1 7 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.601 0.131 25871 4773 1 7 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.816 0.906 25871 4774 1 7 . 1 1 861 861 ILE H H 861 8.451 8.451 8.229 0.222 25871 4775 1 7 . 1 1 862 862 ALA N N 862 116.691 116.691 118.824 -2.133 25871 4776 1 7 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.191 0.059 25871 4777 1 7 . 1 1 862 862 ALA CA C 862 53.428 53.428 53.384 0.044 25871 4778 1 7 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.213 0.862 25871 4779 1 7 . 1 1 862 862 ALA H H 862 7.304 7.304 8.068 -0.764 25871 4780 1 7 . 1 1 863 863 ARG N N 863 117.259 117.259 116.589 0.670 25871 4781 1 7 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.121 0.171 25871 4782 1 7 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.609 0.830 25871 4783 1 7 . 1 1 863 863 ARG CB C 863 31.458 31.458 32.041 -0.583 25871 4784 1 7 . 1 1 863 863 ARG H H 863 7.357 7.357 7.584 -0.227 25871 4785 1 7 . 1 1 864 864 MET N N 864 117.570 117.570 119.771 -2.201 25871 4786 1 7 . 1 1 864 864 MET HA H 864 4.598 4.598 4.192 0.406 25871 4787 1 7 . 1 1 864 864 MET CA C 864 55.180 55.180 56.346 -1.166 25871 4788 1 7 . 1 1 864 864 MET CB C 864 37.428 37.428 34.036 3.392 25871 4789 1 7 . 1 1 864 864 MET H H 864 7.147 7.147 7.946 -0.799 25871 4790 1 7 . 1 1 865 865 ALA N N 865 124.616 124.616 126.140 -1.524 25871 4791 1 7 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.834 -0.901 25871 4792 1 7 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.839 -0.559 25871 4793 1 7 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.336 0.313 25871 4794 1 7 . 1 1 865 865 ALA H H 865 8.548 8.548 8.608 -0.060 25871 4795 1 7 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.519 -0.000 25871 4796 1 7 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.484 0.337 25871 4797 1 7 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.482 -0.491 25871 4798 1 7 . 1 1 867 867 TYR N N 867 122.454 122.454 122.599 -0.145 25871 4799 1 7 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.659 -0.504 25871 4800 1 7 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.717 -0.766 25871 4801 1 7 . 1 1 867 867 TYR CB C 867 43.347 43.347 41.248 2.099 25871 4802 1 7 . 1 1 867 867 TYR H H 867 8.127 8.127 8.189 -0.062 25871 4803 1 7 . 1 1 869 869 GLY N N 869 105.881 105.881 109.517 -3.636 25871 4804 1 7 . 1 1 869 869 GLY CA C 869 45.090 45.090 42.906 2.184 25871 4805 1 7 . 1 1 869 869 GLY H H 869 5.440 5.440 6.305 -0.865 25871 4806 1 7 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.358 0.003 25871 4807 1 7 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.589 0.252 25871 4808 1 7 . 1 1 870 870 PRO CB C 870 31.630 31.630 31.905 -0.275 25871 4809 1 7 . 1 1 871 871 ASP N N 871 116.217 116.217 119.315 -3.098 25871 4810 1 7 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.949 -0.313 25871 4811 1 7 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.821 -0.871 25871 4812 1 7 . 1 1 871 871 ASP CB C 871 39.150 39.150 41.161 -2.011 25871 4813 1 7 . 1 1 871 871 ASP H H 871 9.263 9.263 8.168 1.095 25871 4814 1 7 . 1 1 872 872 SER N N 872 112.352 112.352 115.748 -3.396 25871 4815 1 7 . 1 1 872 872 SER HA H 872 3.530 3.530 4.375 -0.845 25871 4816 1 7 . 1 1 872 872 SER CA C 872 59.184 59.184 59.035 0.149 25871 4817 1 7 . 1 1 872 872 SER CB C 872 63.286 63.286 64.246 -0.960 25871 4818 1 7 . 1 1 872 872 SER H H 872 7.487 7.487 7.603 -0.116 25871 4819 1 7 . 1 1 873 873 VAL N N 873 113.588 113.588 114.125 -0.537 25871 4820 1 7 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.621 0.132 25871 4821 1 7 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.181 -0.113 25871 4822 1 7 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.090 -0.173 25871 4823 1 7 . 1 1 873 873 VAL H H 873 6.411 6.411 7.915 -1.504 25871 4824 1 7 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.436 -0.106 25871 4825 1 7 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.621 -0.311 25871 4826 1 7 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.924 -0.301 25871 4827 1 7 . 1 1 875 875 GLY N N 875 112.109 112.109 106.749 5.360 25871 4828 1 7 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.156 1.336 25871 4829 1 7 . 1 1 875 875 GLY H H 875 8.798 8.798 8.264 0.534 25871 4830 1 7 . 1 1 876 876 ALA N N 876 120.267 120.267 124.078 -3.811 25871 4831 1 7 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.337 -1.200 25871 4832 1 7 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.826 2.437 25871 4833 1 7 . 1 1 876 876 ALA CB C 876 20.554 20.554 21.021 -0.467 25871 4834 1 7 . 1 1 876 876 ALA H H 876 7.762 7.762 7.741 0.021 25871 4835 1 7 . 1 1 877 877 LEU N N 877 125.696 125.696 122.668 3.028 25871 4836 1 7 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.031 -0.227 25871 4837 1 7 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.952 0.340 25871 4838 1 7 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.693 -1.852 25871 4839 1 7 . 1 1 877 877 LEU H H 877 9.598 9.598 9.388 0.210 25871 4840 1 7 . 1 1 878 878 ASP N N 878 119.836 119.836 122.870 -3.034 25871 4841 1 7 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.049 -0.130 25871 4842 1 7 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.856 -0.726 25871 4843 1 7 . 1 1 878 878 ASP CB C 878 40.798 40.798 41.977 -1.179 25871 4844 1 7 . 1 1 878 878 ASP H H 878 9.028 9.028 8.700 0.328 25871 4845 1 7 . 1 1 879 879 TYR N N 879 126.600 126.600 124.462 2.138 25871 4846 1 7 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.241 0.377 25871 4847 1 7 . 1 1 879 879 TYR CA C 879 59.557 59.557 60.109 -0.552 25871 4848 1 7 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.233 -0.709 25871 4849 1 7 . 1 1 879 879 TYR H H 879 7.454 7.454 8.012 -0.558 25871 4850 1 7 . 1 1 880 880 MET N N 880 119.910 119.910 117.156 2.754 25871 4851 1 7 . 1 1 880 880 MET HA H 880 4.619 4.619 3.684 0.935 25871 4852 1 7 . 1 1 880 880 MET CA C 880 56.205 56.205 58.040 -1.835 25871 4853 1 7 . 1 1 880 880 MET CB C 880 32.338 32.338 32.147 0.191 25871 4854 1 7 . 1 1 880 880 MET H H 880 7.620 7.620 7.307 0.313 25871 4855 1 7 . 1 1 881 881 SER N N 881 114.353 114.353 112.730 1.623 25871 4856 1 7 . 1 1 881 881 SER HA H 881 4.501 4.501 4.425 0.076 25871 4857 1 7 . 1 1 881 881 SER CA C 881 58.957 58.957 58.733 0.224 25871 4858 1 7 . 1 1 881 881 SER CB C 881 64.284 64.284 63.579 0.705 25871 4859 1 7 . 1 1 881 881 SER H H 881 7.721 7.721 7.833 -0.112 25871 4860 1 7 . 1 1 882 882 PHE N N 882 122.746 122.746 124.369 -1.623 25871 4861 1 7 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.683 0.066 25871 4862 1 7 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.061 -0.610 25871 4863 1 7 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.626 1.670 25871 4864 1 7 . 1 1 882 882 PHE H H 882 7.386 7.386 7.912 -0.526 25871 4865 1 7 . 1 1 883 883 SER N N 883 120.214 120.214 114.133 6.081 25871 4866 1 7 . 1 1 883 883 SER HA H 883 4.338 4.338 3.965 0.373 25871 4867 1 7 . 1 1 883 883 SER CA C 883 57.455 57.455 60.856 -3.401 25871 4868 1 7 . 1 1 883 883 SER CB C 883 64.684 64.684 62.993 1.691 25871 4869 1 7 . 1 1 883 883 SER H H 883 7.464 7.464 8.592 -1.128 25871 4870 1 7 . 1 1 884 884 THR N N 884 110.671 110.671 110.887 -0.216 25871 4871 1 7 . 1 1 884 884 THR HA H 884 4.008 4.008 4.400 -0.392 25871 4872 1 7 . 1 1 884 884 THR CA C 884 63.367 63.367 61.546 1.821 25871 4873 1 7 . 1 1 884 884 THR CB C 884 69.088 69.088 70.316 -1.228 25871 4874 1 7 . 1 1 884 884 THR H H 884 7.993 7.993 7.564 0.429 25871 4875 1 7 . 1 1 885 885 ALA N N 885 125.453 125.453 124.578 0.875 25871 4876 1 7 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.786 -0.516 25871 4877 1 7 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.287 -0.127 25871 4878 1 7 . 1 1 885 885 ALA CB C 885 19.310 19.310 20.851 -1.541 25871 4879 1 7 . 1 1 885 885 ALA H H 885 7.905 7.905 7.671 0.234 25871 4880 1 7 . 1 1 886 886 LEU N N 886 120.791 120.791 120.093 0.698 25871 4881 1 7 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.775 -1.728 25871 4882 1 7 . 1 1 886 886 LEU CA C 886 55.496 55.496 53.558 1.938 25871 4883 1 7 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.270 -2.930 25871 4884 1 7 . 1 1 886 886 LEU H H 886 8.087 8.087 8.163 -0.076 25871 4885 1 7 . 1 1 887 887 TYR N N 887 121.620 121.620 119.669 1.951 25871 4886 1 7 . 1 1 887 887 TYR HA H 887 4.403 4.403 5.008 -0.605 25871 4887 1 7 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.373 1.421 25871 4888 1 7 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.057 -0.436 25871 4889 1 7 . 1 1 887 887 TYR H H 887 8.272 8.272 8.211 0.061 25871 4890 1 7 . 1 1 888 888 GLY N N 888 112.443 112.443 107.389 5.054 25871 4891 1 7 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.494 0.701 25871 4892 1 7 . 1 1 888 888 GLY H H 888 8.087 8.087 8.065 0.022 25871 4893 1 7 . 1 1 889 889 GLU N N 889 120.272 120.272 119.110 1.162 25871 4894 1 7 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.467 -0.172 25871 4895 1 7 . 1 1 889 889 GLU CA C 889 56.593 56.593 56.462 0.130 25871 4896 1 7 . 1 1 889 889 GLU CB C 889 30.601 30.601 30.429 0.172 25871 4897 1 7 . 1 1 889 889 GLU H H 889 7.991 7.991 7.791 0.200 25871 4898 1 7 . 1 1 890 890 SER N N 890 116.330 116.330 116.345 -0.015 25871 4899 1 7 . 1 1 890 890 SER HA H 890 4.452 4.452 4.721 -0.269 25871 4900 1 7 . 1 1 890 890 SER CA C 890 58.334 58.334 57.016 1.318 25871 4901 1 7 . 1 1 890 890 SER CB C 890 64.174 64.174 64.789 -0.615 25871 4902 1 7 . 1 1 890 890 SER H H 890 8.325 8.325 8.201 0.124 25871 4903 1 7 . 1 1 891 891 ASP N N 891 122.987 122.987 122.545 0.442 25871 4904 1 7 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.855 -0.203 25871 4905 1 7 . 1 1 891 891 ASP CA C 891 54.534 54.534 54.687 -0.153 25871 4906 1 7 . 1 1 891 891 ASP CB C 891 40.981 40.981 40.499 0.482 25871 4907 1 7 . 1 1 891 891 ASP H H 891 8.387 8.387 8.474 -0.087 25871 4908 1 8 . 1 1 743 743 ILE N N 743 122.085 122.085 121.376 0.709 25871 4909 1 8 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.057 0.299 25871 4910 1 8 . 1 1 743 743 ILE CA C 743 60.624 60.624 62.542 -1.918 25871 4911 1 8 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.670 0.353 25871 4912 1 8 . 1 1 743 743 ILE H H 743 8.122 8.122 7.461 0.661 25871 4913 1 8 . 1 1 744 744 SER N N 744 123.378 123.378 122.471 0.907 25871 4914 1 8 . 1 1 744 744 SER HA H 744 4.472 4.472 4.617 -0.145 25871 4915 1 8 . 1 1 744 744 SER CA C 744 57.581 57.581 58.028 -0.447 25871 4916 1 8 . 1 1 744 744 SER CB C 744 65.276 65.276 64.847 0.429 25871 4917 1 8 . 1 1 744 744 SER H H 744 8.844 8.844 8.310 0.534 25871 4918 1 8 . 1 1 745 745 GLN N N 745 121.612 121.612 121.579 0.033 25871 4919 1 8 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.096 -0.118 25871 4920 1 8 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.493 -0.606 25871 4921 1 8 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.714 -0.188 25871 4922 1 8 . 1 1 745 745 GLN H H 745 9.035 9.035 8.962 0.073 25871 4923 1 8 . 1 1 746 746 GLU N N 746 118.618 118.618 116.859 1.759 25871 4924 1 8 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.136 -0.102 25871 4925 1 8 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.836 1.462 25871 4926 1 8 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.734 0.210 25871 4927 1 8 . 1 1 746 746 GLU H H 746 8.718 8.718 8.802 -0.084 25871 4928 1 8 . 1 1 747 747 GLN N N 747 120.436 120.436 119.931 0.505 25871 4929 1 8 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.344 -0.520 25871 4930 1 8 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.841 -0.337 25871 4931 1 8 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.207 -0.252 25871 4932 1 8 . 1 1 747 747 GLN H H 747 7.821 7.821 7.331 0.490 25871 4933 1 8 . 1 1 748 748 MET N N 748 119.174 119.174 117.635 1.539 25871 4934 1 8 . 1 1 748 748 MET HA H 748 4.228 4.228 4.502 -0.274 25871 4935 1 8 . 1 1 748 748 MET CA C 748 58.305 58.305 59.246 -0.941 25871 4936 1 8 . 1 1 748 748 MET CB C 748 30.922 30.922 32.221 -1.299 25871 4937 1 8 . 1 1 748 748 MET H H 748 8.477 8.477 8.283 0.194 25871 4938 1 8 . 1 1 749 749 ASN N N 749 117.610 117.610 119.399 -1.789 25871 4939 1 8 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.461 0.044 25871 4940 1 8 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.797 -0.835 25871 4941 1 8 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.431 -0.526 25871 4942 1 8 . 1 1 749 749 ASN H H 749 8.302 8.302 8.021 0.281 25871 4943 1 8 . 1 1 750 750 GLU N N 750 122.737 122.737 120.266 2.471 25871 4944 1 8 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.089 0.157 25871 4945 1 8 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.695 0.830 25871 4946 1 8 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.028 0.381 25871 4947 1 8 . 1 1 750 750 GLU H H 750 7.789 7.789 7.838 -0.049 25871 4948 1 8 . 1 1 751 751 PHE N N 751 120.358 120.358 121.444 -1.086 25871 4949 1 8 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.377 0.601 25871 4950 1 8 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.432 -3.789 25871 4951 1 8 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.884 -1.406 25871 4952 1 8 . 1 1 751 751 PHE H H 751 8.772 8.772 8.416 0.356 25871 4953 1 8 . 1 1 752 752 ARG N N 752 120.173 120.173 119.497 0.676 25871 4954 1 8 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.376 -0.229 25871 4955 1 8 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.820 -3.019 25871 4956 1 8 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.124 0.238 25871 4957 1 8 . 1 1 752 752 ARG H H 752 8.990 8.990 8.686 0.304 25871 4958 1 8 . 1 1 753 753 ALA N N 753 120.965 120.965 122.251 -1.286 25871 4959 1 8 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.224 0.031 25871 4960 1 8 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.198 0.227 25871 4961 1 8 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.206 -0.194 25871 4962 1 8 . 1 1 753 753 ALA H H 753 8.136 8.136 8.487 -0.351 25871 4963 1 8 . 1 1 754 754 SER N N 754 115.350 115.350 115.848 -0.498 25871 4964 1 8 . 1 1 754 754 SER HA H 754 4.451 4.451 4.282 0.169 25871 4965 1 8 . 1 1 754 754 SER CA C 754 63.045 63.045 62.803 0.242 25871 4966 1 8 . 1 1 754 754 SER CB C 754 63.111 63.111 63.158 -0.047 25871 4967 1 8 . 1 1 754 754 SER H H 754 8.366 8.366 8.450 -0.084 25871 4968 1 8 . 1 1 755 755 PHE N N 755 121.902 121.902 122.746 -0.844 25871 4969 1 8 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.313 -0.327 25871 4970 1 8 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.266 2.087 25871 4971 1 8 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.167 0.998 25871 4972 1 8 . 1 1 755 755 PHE H H 755 8.498 8.498 8.105 0.393 25871 4973 1 8 . 1 1 756 756 ASN N N 756 114.071 114.071 118.163 -4.092 25871 4974 1 8 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.740 0.790 25871 4975 1 8 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.496 0.308 25871 4976 1 8 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.574 -0.641 25871 4977 1 8 . 1 1 756 756 ASN H H 756 8.722 8.722 8.257 0.465 25871 4978 1 8 . 1 1 757 757 HIS N N 757 119.524 119.524 119.352 0.172 25871 4979 1 8 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.311 -0.189 25871 4980 1 8 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.405 0.065 25871 4981 1 8 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.135 -0.088 25871 4982 1 8 . 1 1 757 757 HIS H H 757 8.027 8.027 8.126 -0.099 25871 4983 1 8 . 1 1 758 758 PHE N N 758 113.439 113.439 116.336 -2.897 25871 4984 1 8 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.431 -0.324 25871 4985 1 8 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.810 0.258 25871 4986 1 8 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.683 0.305 25871 4987 1 8 . 1 1 758 758 PHE H H 758 7.322 7.322 7.951 -0.629 25871 4988 1 8 . 1 1 759 759 ASP N N 759 121.632 121.632 119.554 2.078 25871 4989 1 8 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.739 -0.123 25871 4990 1 8 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.402 0.206 25871 4991 1 8 . 1 1 759 759 ASP CB C 759 38.681 38.681 38.969 -0.288 25871 4992 1 8 . 1 1 759 759 ASP H H 759 7.439 7.439 8.485 -1.046 25871 4993 1 8 . 1 1 760 760 ARG N N 760 123.429 123.429 121.777 1.652 25871 4994 1 8 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.804 0.021 25871 4995 1 8 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.512 1.119 25871 4996 1 8 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.078 -0.005 25871 4997 1 8 . 1 1 760 760 ARG H H 760 7.797 7.797 7.734 0.063 25871 4998 1 8 . 1 1 761 761 ASP N N 761 115.027 115.027 117.292 -2.265 25871 4999 1 8 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.542 -0.061 25871 5000 1 8 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.809 -1.331 25871 5001 1 8 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.141 -1.641 25871 5002 1 8 . 1 1 761 761 ASP H H 761 8.470 8.470 7.760 0.710 25871 5003 1 8 . 1 1 762 762 HIS N N 762 117.442 117.442 115.795 1.647 25871 5004 1 8 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.398 -0.161 25871 5005 1 8 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.715 -0.222 25871 5006 1 8 . 1 1 762 762 HIS CB C 762 26.581 26.581 26.978 -0.397 25871 5007 1 8 . 1 1 762 762 HIS H H 762 7.716 7.716 7.646 0.070 25871 5008 1 8 . 1 1 763 763 SER N N 763 117.624 117.624 115.261 2.363 25871 5009 1 8 . 1 1 763 763 SER HA H 763 4.441 4.441 4.417 0.024 25871 5010 1 8 . 1 1 763 763 SER CA C 763 59.706 59.706 60.115 -0.409 25871 5011 1 8 . 1 1 763 763 SER CB C 763 65.228 65.228 64.292 0.936 25871 5012 1 8 . 1 1 763 763 SER H H 763 9.708 9.708 8.340 1.368 25871 5013 1 8 . 1 1 764 764 GLY N N 764 117.320 117.320 109.399 7.921 25871 5014 1 8 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.867 -0.109 25871 5015 1 8 . 1 1 764 764 GLY H H 764 11.185 11.185 9.295 1.890 25871 5016 1 8 . 1 1 765 765 THR N N 765 110.392 110.392 110.777 -0.385 25871 5017 1 8 . 1 1 765 765 THR HA H 765 5.197 5.197 5.257 -0.060 25871 5018 1 8 . 1 1 765 765 THR CA C 765 59.125 59.125 60.593 -1.468 25871 5019 1 8 . 1 1 765 765 THR CB C 765 73.022 73.022 72.075 0.947 25871 5020 1 8 . 1 1 765 765 THR H H 765 7.972 7.972 7.526 0.446 25871 5021 1 8 . 1 1 766 766 LEU N N 766 117.658 117.658 119.505 -1.847 25871 5022 1 8 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.737 0.087 25871 5023 1 8 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.193 -0.441 25871 5024 1 8 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.710 -1.497 25871 5025 1 8 . 1 1 766 766 LEU H H 766 8.589 8.589 8.360 0.229 25871 5026 1 8 . 1 1 767 767 GLY N N 767 108.644 108.644 107.176 1.468 25871 5027 1 8 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.671 0.265 25871 5028 1 8 . 1 1 767 767 GLY H H 767 8.601 8.601 8.544 0.057 25871 5029 1 8 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.401 -0.120 25871 5030 1 8 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.459 1.414 25871 5031 1 8 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.169 0.022 25871 5032 1 8 . 1 1 769 769 GLU N N 769 115.170 115.170 119.829 -4.659 25871 5033 1 8 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.837 0.095 25871 5034 1 8 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.630 0.143 25871 5035 1 8 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.090 -0.262 25871 5036 1 8 . 1 1 769 769 GLU H H 769 8.649 8.649 8.857 -0.208 25871 5037 1 8 . 1 1 770 770 GLU N N 770 121.294 121.294 120.839 0.455 25871 5038 1 8 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.217 -0.104 25871 5039 1 8 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.370 0.248 25871 5040 1 8 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.159 1.144 25871 5041 1 8 . 1 1 770 770 GLU H H 770 7.846 7.846 8.129 -0.282 25871 5042 1 8 . 1 1 771 771 PHE N N 771 119.292 119.292 118.800 0.492 25871 5043 1 8 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.099 0.143 25871 5044 1 8 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.834 -0.730 25871 5045 1 8 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.794 -0.068 25871 5046 1 8 . 1 1 771 771 PHE H H 771 8.876 8.876 8.383 0.493 25871 5047 1 8 . 1 1 772 772 LYS N N 772 120.139 120.139 120.420 -0.281 25871 5048 1 8 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.926 -0.750 25871 5049 1 8 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.549 0.936 25871 5050 1 8 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.283 -0.600 25871 5051 1 8 . 1 1 772 772 LYS H H 772 8.404 8.404 7.709 0.695 25871 5052 1 8 . 1 1 773 773 ALA N N 773 118.856 118.856 121.580 -2.724 25871 5053 1 8 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.147 -0.355 25871 5054 1 8 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.366 0.601 25871 5055 1 8 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.342 -0.396 25871 5056 1 8 . 1 1 773 773 ALA H H 773 7.180 7.180 7.998 -0.818 25871 5057 1 8 . 1 1 774 774 CYS N N 774 121.600 121.600 116.156 5.444 25871 5058 1 8 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.916 0.270 25871 5059 1 8 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.507 0.072 25871 5060 1 8 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.741 -0.711 25871 5061 1 8 . 1 1 774 774 CYS H H 774 7.731 7.731 7.481 0.250 25871 5062 1 8 . 1 1 775 775 LEU N N 775 120.029 120.029 118.986 1.043 25871 5063 1 8 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.625 0.214 25871 5064 1 8 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.145 1.204 25871 5065 1 8 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.602 -1.074 25871 5066 1 8 . 1 1 775 775 LEU H H 775 8.353 8.353 7.032 1.321 25871 5067 1 8 . 1 1 776 776 ILE N N 776 121.900 121.900 119.026 2.874 25871 5068 1 8 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.068 0.161 25871 5069 1 8 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.528 0.995 25871 5070 1 8 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.644 0.617 25871 5071 1 8 . 1 1 776 776 ILE H H 776 8.405 8.405 7.330 1.075 25871 5072 1 8 . 1 1 777 777 SER N N 777 119.490 119.490 114.370 5.120 25871 5073 1 8 . 1 1 777 777 SER HA H 777 4.435 4.435 4.292 0.143 25871 5074 1 8 . 1 1 777 777 SER CA C 777 61.843 61.843 60.846 0.997 25871 5075 1 8 . 1 1 777 777 SER CB C 777 62.953 62.953 62.916 0.037 25871 5076 1 8 . 1 1 777 777 SER H H 777 8.144 8.144 7.503 0.641 25871 5077 1 8 . 1 1 778 778 LEU N N 778 122.142 122.142 118.937 3.205 25871 5078 1 8 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.528 0.114 25871 5079 1 8 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.407 -0.330 25871 5080 1 8 . 1 1 778 778 LEU CB C 778 42.620 42.620 43.125 -0.505 25871 5081 1 8 . 1 1 778 778 LEU H H 778 7.644 7.644 7.711 -0.067 25871 5082 1 8 . 1 1 779 779 GLY N N 779 106.613 106.613 105.962 0.651 25871 5083 1 8 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.557 0.593 25871 5084 1 8 . 1 1 779 779 GLY H H 779 7.982 7.982 7.479 0.503 25871 5085 1 8 . 1 1 780 780 TYR N N 780 121.620 121.620 119.360 2.260 25871 5086 1 8 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.570 -0.405 25871 5087 1 8 . 1 1 780 780 TYR CA C 780 59.373 59.373 56.739 2.635 25871 5088 1 8 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.497 -1.103 25871 5089 1 8 . 1 1 780 780 TYR H H 780 8.174 8.174 7.763 0.411 25871 5090 1 8 . 1 1 781 781 ASP N N 781 124.225 124.225 125.983 -1.758 25871 5091 1 8 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.792 -0.103 25871 5092 1 8 . 1 1 781 781 ASP CA C 781 53.565 53.565 54.617 -1.052 25871 5093 1 8 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.344 0.770 25871 5094 1 8 . 1 1 781 781 ASP H H 781 8.650 8.650 8.948 -0.298 25871 5095 1 8 . 1 1 782 782 ILE N N 782 123.492 123.492 120.772 2.720 25871 5096 1 8 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.233 0.016 25871 5097 1 8 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.696 -1.206 25871 5098 1 8 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.790 0.635 25871 5099 1 8 . 1 1 782 782 ILE H H 782 7.300 7.300 7.688 -0.388 25871 5100 1 8 . 1 1 783 783 GLY N N 783 113.404 113.404 113.012 0.392 25871 5101 1 8 . 1 1 783 783 GLY CA C 783 44.630 44.630 45.769 -1.139 25871 5102 1 8 . 1 1 783 783 GLY H H 783 8.345 8.345 7.757 0.588 25871 5103 1 8 . 1 1 784 784 ASN N N 784 119.115 119.115 118.302 0.813 25871 5104 1 8 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.714 0.214 25871 5105 1 8 . 1 1 784 784 ASN CA C 784 52.055 52.055 51.823 0.232 25871 5106 1 8 . 1 1 784 784 ASN CB C 784 37.467 37.467 38.645 -1.178 25871 5107 1 8 . 1 1 784 784 ASN H H 784 8.476 8.476 8.502 -0.026 25871 5108 1 8 . 1 1 785 785 ASP N N 785 119.675 119.675 120.401 -0.726 25871 5109 1 8 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.775 0.045 25871 5110 1 8 . 1 1 785 785 ASP CA C 785 52.365 52.365 52.589 -0.223 25871 5111 1 8 . 1 1 785 785 ASP CB C 785 39.736 39.736 40.962 -1.226 25871 5112 1 8 . 1 1 785 785 ASP H H 785 8.081 8.081 7.721 0.360 25871 5113 1 8 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.255 0.051 25871 5114 1 8 . 1 1 786 786 PRO CA C 786 66.213 66.213 64.885 1.328 25871 5115 1 8 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.153 -0.173 25871 5116 1 8 . 1 1 787 787 GLN N N 787 118.154 118.154 119.311 -1.157 25871 5117 1 8 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.221 -0.043 25871 5118 1 8 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.710 0.723 25871 5119 1 8 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.081 0.587 25871 5120 1 8 . 1 1 787 787 GLN H H 787 8.413 8.413 8.428 -0.015 25871 5121 1 8 . 1 1 788 788 GLY N N 788 113.343 113.343 110.073 3.270 25871 5122 1 8 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.805 0.646 25871 5123 1 8 . 1 1 788 788 GLY H H 788 8.644 8.644 8.465 0.179 25871 5124 1 8 . 1 1 789 789 GLU N N 789 121.232 121.232 121.842 -0.610 25871 5125 1 8 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.115 0.046 25871 5126 1 8 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.655 -0.222 25871 5127 1 8 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.364 0.277 25871 5128 1 8 . 1 1 789 789 GLU H H 789 8.539 8.539 8.492 0.047 25871 5129 1 8 . 1 1 790 790 ALA N N 790 122.805 122.805 121.220 1.585 25871 5130 1 8 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.146 0.127 25871 5131 1 8 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.060 -0.112 25871 5132 1 8 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.474 -0.573 25871 5133 1 8 . 1 1 790 790 ALA H H 790 8.035 8.035 7.624 0.411 25871 5134 1 8 . 1 1 791 791 GLU N N 791 122.504 122.504 116.967 5.537 25871 5135 1 8 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.165 0.584 25871 5136 1 8 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.509 0.958 25871 5137 1 8 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.773 -1.194 25871 5138 1 8 . 1 1 791 791 GLU H H 791 8.309 8.309 7.713 0.596 25871 5139 1 8 . 1 1 792 792 PHE N N 792 119.966 119.966 122.462 -2.496 25871 5140 1 8 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.153 0.045 25871 5141 1 8 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.957 0.662 25871 5142 1 8 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.028 -0.563 25871 5143 1 8 . 1 1 792 792 PHE H H 792 8.835 8.835 8.636 0.199 25871 5144 1 8 . 1 1 793 793 ALA N N 793 119.978 119.978 121.741 -1.763 25871 5145 1 8 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.637 0.269 25871 5146 1 8 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.092 -0.072 25871 5147 1 8 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.194 -0.558 25871 5148 1 8 . 1 1 793 793 ALA H H 793 8.147 8.147 8.327 -0.180 25871 5149 1 8 . 1 1 794 794 ARG N N 794 121.286 121.286 116.039 5.247 25871 5150 1 8 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.122 -0.185 25871 5151 1 8 . 1 1 794 794 ARG CA C 794 59.636 59.636 57.958 1.678 25871 5152 1 8 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.953 0.304 25871 5153 1 8 . 1 1 794 794 ARG H H 794 7.953 7.953 7.200 0.753 25871 5154 1 8 . 1 1 795 795 ILE N N 795 121.594 121.594 121.641 -0.047 25871 5155 1 8 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.466 -0.155 25871 5156 1 8 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.921 1.255 25871 5157 1 8 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.919 0.415 25871 5158 1 8 . 1 1 795 795 ILE H H 795 8.091 8.091 7.638 0.453 25871 5159 1 8 . 1 1 796 796 MET N N 796 118.593 118.593 117.313 1.280 25871 5160 1 8 . 1 1 796 796 MET HA H 796 4.266 4.266 4.013 0.253 25871 5161 1 8 . 1 1 796 796 MET CA C 796 56.204 56.204 59.076 -2.872 25871 5162 1 8 . 1 1 796 796 MET CB C 796 29.453 29.453 31.707 -2.254 25871 5163 1 8 . 1 1 796 796 MET H H 796 8.543 8.543 8.181 0.361 25871 5164 1 8 . 1 1 797 797 SER N N 797 114.792 114.792 114.748 0.044 25871 5165 1 8 . 1 1 797 797 SER HA H 797 4.131 4.131 4.243 -0.112 25871 5166 1 8 . 1 1 797 797 SER CA C 797 61.233 61.233 61.645 -0.412 25871 5167 1 8 . 1 1 797 797 SER CB C 797 63.017 63.017 62.912 0.105 25871 5168 1 8 . 1 1 797 797 SER H H 797 7.740 7.740 7.757 -0.017 25871 5169 1 8 . 1 1 798 798 ILE N N 798 121.041 121.041 120.786 0.255 25871 5170 1 8 . 1 1 798 798 ILE HA H 798 3.869 3.869 4.023 -0.154 25871 5171 1 8 . 1 1 798 798 ILE CA C 798 63.939 63.939 64.006 -0.067 25871 5172 1 8 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.703 0.188 25871 5173 1 8 . 1 1 798 798 ILE H H 798 7.352 7.352 7.676 -0.324 25871 5174 1 8 . 1 1 799 799 VAL N N 799 110.418 110.418 111.660 -1.242 25871 5175 1 8 . 1 1 799 799 VAL HA H 799 4.211 4.211 4.027 0.184 25871 5176 1 8 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.162 0.022 25871 5177 1 8 . 1 1 799 799 VAL CB C 799 32.410 32.410 31.981 0.429 25871 5178 1 8 . 1 1 799 799 VAL H H 799 7.806 7.806 7.739 0.067 25871 5179 1 8 . 1 1 800 800 ASP N N 800 119.703 119.703 119.619 0.084 25871 5180 1 8 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.020 0.237 25871 5181 1 8 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.937 -0.202 25871 5182 1 8 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.706 -0.372 25871 5183 1 8 . 1 1 800 800 ASP H H 800 8.124 8.124 7.541 0.583 25871 5184 1 8 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.623 -0.263 25871 5185 1 8 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.019 1.016 25871 5186 1 8 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.444 -0.547 25871 5187 1 8 . 1 1 802 802 ASN N N 802 115.156 115.156 117.438 -2.282 25871 5188 1 8 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.669 0.110 25871 5189 1 8 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.106 0.122 25871 5190 1 8 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.464 -0.250 25871 5191 1 8 . 1 1 802 802 ASN H H 802 8.967 8.967 7.836 1.131 25871 5192 1 8 . 1 1 803 803 ARG N N 803 117.568 117.568 116.717 0.851 25871 5193 1 8 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.107 -0.258 25871 5194 1 8 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.642 0.334 25871 5195 1 8 . 1 1 803 803 ARG CB C 803 26.440 26.440 27.193 -0.753 25871 5196 1 8 . 1 1 803 803 ARG H H 803 8.013 8.013 7.877 0.136 25871 5197 1 8 . 1 1 804 804 LEU N N 804 122.899 122.899 119.919 2.980 25871 5198 1 8 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.189 0.023 25871 5199 1 8 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.763 0.398 25871 5200 1 8 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.431 0.457 25871 5201 1 8 . 1 1 804 804 LEU H H 804 10.338 10.338 8.764 1.574 25871 5202 1 8 . 1 1 805 805 GLY N N 805 110.909 110.909 106.608 4.301 25871 5203 1 8 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.450 -0.169 25871 5204 1 8 . 1 1 805 805 GLY H H 805 10.955 10.955 9.151 1.804 25871 5205 1 8 . 1 1 806 806 VAL N N 806 111.683 111.683 114.096 -2.413 25871 5206 1 8 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.199 -0.616 25871 5207 1 8 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.349 0.066 25871 5208 1 8 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.025 1.278 25871 5209 1 8 . 1 1 806 806 VAL H H 806 6.806 6.806 7.456 -0.650 25871 5210 1 8 . 1 1 807 807 VAL N N 807 123.649 123.649 120.453 3.196 25871 5211 1 8 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.345 -0.159 25871 5212 1 8 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.455 1.225 25871 5213 1 8 . 1 1 807 807 VAL CB C 807 32.903 32.903 34.988 -2.085 25871 5214 1 8 . 1 1 807 807 VAL H H 807 9.156 9.156 8.801 0.355 25871 5215 1 8 . 1 1 808 808 THR N N 808 116.404 116.404 118.416 -2.012 25871 5216 1 8 . 1 1 808 808 THR HA H 808 4.782 4.782 4.809 -0.027 25871 5217 1 8 . 1 1 808 808 THR CA C 808 62.526 62.526 60.081 2.445 25871 5218 1 8 . 1 1 808 808 THR CB C 808 69.707 69.707 71.446 -1.739 25871 5219 1 8 . 1 1 808 808 THR H H 808 7.948 7.948 8.189 -0.241 25871 5220 1 8 . 1 1 809 809 PHE N N 809 121.514 121.514 123.536 -2.022 25871 5221 1 8 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.422 -0.920 25871 5222 1 8 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.395 -0.617 25871 5223 1 8 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.832 -0.397 25871 5224 1 8 . 1 1 809 809 PHE H H 809 8.528 8.528 8.127 0.401 25871 5225 1 8 . 1 1 810 810 GLN N N 810 116.869 116.869 118.262 -1.393 25871 5226 1 8 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.689 -0.068 25871 5227 1 8 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.954 0.594 25871 5228 1 8 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.979 0.418 25871 5229 1 8 . 1 1 810 810 GLN H H 810 8.638 8.638 8.341 0.296 25871 5230 1 8 . 1 1 811 811 ALA N N 811 121.318 121.318 122.744 -1.426 25871 5231 1 8 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.993 0.155 25871 5232 1 8 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.587 0.502 25871 5233 1 8 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.611 0.629 25871 5234 1 8 . 1 1 811 811 ALA H H 811 7.795 7.795 7.511 0.284 25871 5235 1 8 . 1 1 812 812 PHE N N 812 119.498 119.498 116.456 3.042 25871 5236 1 8 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.815 0.362 25871 5237 1 8 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.351 1.146 25871 5238 1 8 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.667 0.359 25871 5239 1 8 . 1 1 812 812 PHE H H 812 8.093 8.093 7.688 0.405 25871 5240 1 8 . 1 1 813 813 ILE N N 813 119.554 119.554 118.014 1.540 25871 5241 1 8 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.599 0.546 25871 5242 1 8 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.786 -0.610 25871 5243 1 8 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.563 0.227 25871 5244 1 8 . 1 1 813 813 ILE H H 813 8.316 8.316 6.553 1.763 25871 5245 1 8 . 1 1 814 814 ASP N N 814 123.772 123.772 120.626 3.146 25871 5246 1 8 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.180 0.060 25871 5247 1 8 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.719 0.184 25871 5248 1 8 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.815 -0.573 25871 5249 1 8 . 1 1 814 814 ASP H H 814 8.434 8.434 7.376 1.058 25871 5250 1 8 . 1 1 815 815 PHE N N 815 121.079 121.079 116.172 4.907 25871 5251 1 8 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.521 -0.348 25871 5252 1 8 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.931 2.194 25871 5253 1 8 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.288 1.004 25871 5254 1 8 . 1 1 815 815 PHE H H 815 7.904 7.904 7.020 0.884 25871 5255 1 8 . 1 1 816 816 MET N N 816 117.231 117.231 121.108 -3.877 25871 5256 1 8 . 1 1 816 816 MET HA H 816 3.864 3.864 4.759 -0.895 25871 5257 1 8 . 1 1 816 816 MET CA C 816 55.934 55.934 56.897 -0.963 25871 5258 1 8 . 1 1 816 816 MET CB C 816 30.451 30.451 31.471 -1.020 25871 5259 1 8 . 1 1 816 816 MET H H 816 8.270 8.270 7.335 0.935 25871 5260 1 8 . 1 1 817 817 SER N N 817 114.308 114.308 115.388 -1.080 25871 5261 1 8 . 1 1 817 817 SER HA H 817 4.209 4.209 4.251 -0.042 25871 5262 1 8 . 1 1 817 817 SER CA C 817 60.410 60.410 61.116 -0.706 25871 5263 1 8 . 1 1 817 817 SER CB C 817 63.328 63.328 62.703 0.625 25871 5264 1 8 . 1 1 817 817 SER H H 817 8.100 8.100 7.739 0.361 25871 5265 1 8 . 1 1 818 818 ARG N N 818 121.459 121.459 120.167 1.292 25871 5266 1 8 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.318 -0.154 25871 5267 1 8 . 1 1 818 818 ARG CA C 818 57.468 57.468 58.819 -1.351 25871 5268 1 8 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.471 -0.086 25871 5269 1 8 . 1 1 818 818 ARG H H 818 7.329 7.329 7.493 -0.164 25871 5270 1 8 . 1 1 819 819 GLU N N 819 119.944 119.944 117.383 2.561 25871 5271 1 8 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.315 -0.151 25871 5272 1 8 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.116 -0.648 25871 5273 1 8 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.252 1.274 25871 5274 1 8 . 1 1 819 819 GLU H H 819 8.059 8.059 8.138 -0.079 25871 5275 1 8 . 1 1 820 820 THR N N 820 112.658 112.658 114.993 -2.335 25871 5276 1 8 . 1 1 820 820 THR HA H 820 4.309 4.309 4.158 0.151 25871 5277 1 8 . 1 1 820 820 THR CA C 820 62.191 62.191 64.834 -2.643 25871 5278 1 8 . 1 1 820 820 THR CB C 820 69.877 69.877 69.556 0.321 25871 5279 1 8 . 1 1 820 820 THR H H 820 7.789 7.789 7.552 0.237 25871 5280 1 8 . 1 1 821 821 ALA N N 821 126.145 126.145 121.871 4.274 25871 5281 1 8 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.409 -0.077 25871 5282 1 8 . 1 1 821 821 ALA CA C 821 52.816 52.816 52.148 0.668 25871 5283 1 8 . 1 1 821 821 ALA CB C 821 19.459 19.459 20.516 -1.057 25871 5284 1 8 . 1 1 821 821 ALA H H 821 8.003 8.003 7.823 0.180 25871 5285 1 8 . 1 1 822 822 ASP N N 822 120.003 120.003 121.786 -1.783 25871 5286 1 8 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.825 -0.183 25871 5287 1 8 . 1 1 822 822 ASP CA C 822 54.439 54.439 54.117 0.322 25871 5288 1 8 . 1 1 822 822 ASP CB C 822 40.866 40.866 40.501 0.366 25871 5289 1 8 . 1 1 822 822 ASP H H 822 8.330 8.330 8.703 -0.373 25871 5290 1 8 . 1 1 823 823 THR N N 823 114.181 114.181 113.480 0.701 25871 5291 1 8 . 1 1 823 823 THR HA H 823 4.304 4.304 4.493 -0.189 25871 5292 1 8 . 1 1 823 823 THR CA C 823 62.284 62.284 60.794 1.490 25871 5293 1 8 . 1 1 823 823 THR CB C 823 69.738 69.738 70.289 -0.551 25871 5294 1 8 . 1 1 823 823 THR H H 823 8.093 8.093 7.346 0.747 25871 5295 1 8 . 1 1 824 824 ASP N N 824 123.285 123.285 121.025 2.260 25871 5296 1 8 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.787 -0.136 25871 5297 1 8 . 1 1 824 824 ASP CA C 824 54.595 54.595 53.919 0.676 25871 5298 1 8 . 1 1 824 824 ASP CB C 824 41.145 41.145 42.169 -1.024 25871 5299 1 8 . 1 1 824 824 ASP H H 824 8.426 8.426 8.469 -0.043 25871 5300 1 8 . 1 1 825 825 THR N N 825 114.970 114.970 113.516 1.454 25871 5301 1 8 . 1 1 825 825 THR HA H 825 4.313 4.313 4.567 -0.254 25871 5302 1 8 . 1 1 825 825 THR CA C 825 62.329 62.329 60.458 1.871 25871 5303 1 8 . 1 1 825 825 THR CB C 825 69.541 69.541 70.841 -1.300 25871 5304 1 8 . 1 1 825 825 THR H H 825 8.157 8.157 7.985 0.172 25871 5305 1 8 . 1 1 826 826 ALA N N 826 124.991 124.991 128.992 -4.001 25871 5306 1 8 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.091 0.110 25871 5307 1 8 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.366 0.107 25871 5308 1 8 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.182 0.514 25871 5309 1 8 . 1 1 826 826 ALA H H 826 8.374 8.374 9.060 -0.686 25871 5310 1 8 . 1 1 827 827 ASP N N 827 117.795 117.795 118.227 -0.432 25871 5311 1 8 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.387 0.075 25871 5312 1 8 . 1 1 827 827 ASP CA C 827 56.151 56.151 56.887 -0.736 25871 5313 1 8 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.706 0.223 25871 5314 1 8 . 1 1 827 827 ASP H H 827 8.255 8.255 8.692 -0.437 25871 5315 1 8 . 1 1 828 828 GLN N N 828 120.646 120.646 118.504 2.142 25871 5316 1 8 . 1 1 828 828 GLN HA H 828 4.121 4.121 4.019 0.102 25871 5317 1 8 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.810 -0.860 25871 5318 1 8 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.716 -0.130 25871 5319 1 8 . 1 1 828 828 GLN H H 828 8.086 8.086 7.669 0.417 25871 5320 1 8 . 1 1 829 829 VAL N N 829 120.933 120.933 119.409 1.524 25871 5321 1 8 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.718 -0.167 25871 5322 1 8 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.264 1.057 25871 5323 1 8 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.709 0.041 25871 5324 1 8 . 1 1 829 829 VAL H H 829 8.048 8.048 7.470 0.578 25871 5325 1 8 . 1 1 830 830 MET N N 830 119.386 119.386 121.676 -2.290 25871 5326 1 8 . 1 1 830 830 MET HA H 830 4.030 4.030 4.399 -0.369 25871 5327 1 8 . 1 1 830 830 MET CA C 830 58.013 58.013 59.149 -1.136 25871 5328 1 8 . 1 1 830 830 MET CB C 830 32.110 32.110 32.426 -0.316 25871 5329 1 8 . 1 1 830 830 MET H H 830 8.088 8.088 8.466 -0.378 25871 5330 1 8 . 1 1 831 831 ALA N N 831 121.027 121.027 120.463 0.564 25871 5331 1 8 . 1 1 831 831 ALA HA H 831 4.075 4.075 3.979 0.096 25871 5332 1 8 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.531 -0.912 25871 5333 1 8 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.119 0.007 25871 5334 1 8 . 1 1 831 831 ALA H H 831 7.829 7.829 8.278 -0.449 25871 5335 1 8 . 1 1 832 832 SER N N 832 114.314 114.314 115.251 -0.937 25871 5336 1 8 . 1 1 832 832 SER HA H 832 4.181 4.181 4.135 0.046 25871 5337 1 8 . 1 1 832 832 SER CA C 832 61.039 61.039 61.246 -0.207 25871 5338 1 8 . 1 1 832 832 SER CB C 832 62.671 62.671 62.599 0.072 25871 5339 1 8 . 1 1 832 832 SER H H 832 7.711 7.711 7.424 0.287 25871 5340 1 8 . 1 1 833 833 PHE N N 833 121.898 121.898 122.775 -0.877 25871 5341 1 8 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.146 0.084 25871 5342 1 8 . 1 1 833 833 PHE CA C 833 58.434 58.434 60.040 -1.606 25871 5343 1 8 . 1 1 833 833 PHE CB C 833 38.249 38.249 37.947 0.302 25871 5344 1 8 . 1 1 833 833 PHE H H 833 7.717 7.717 7.623 0.094 25871 5345 1 8 . 1 1 834 834 LYS N N 834 118.752 118.752 120.502 -1.750 25871 5346 1 8 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.823 -0.201 25871 5347 1 8 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.752 -0.327 25871 5348 1 8 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.233 -0.049 25871 5349 1 8 . 1 1 834 834 LYS H H 834 7.844 7.844 8.156 -0.312 25871 5350 1 8 . 1 1 835 835 ILE N N 835 118.528 118.528 117.304 1.224 25871 5351 1 8 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.782 -0.012 25871 5352 1 8 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.420 -0.701 25871 5353 1 8 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.347 -0.441 25871 5354 1 8 . 1 1 835 835 ILE H H 835 7.311 7.311 7.410 -0.099 25871 5355 1 8 . 1 1 836 836 LEU N N 836 121.176 121.176 117.512 3.664 25871 5356 1 8 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.392 -0.402 25871 5357 1 8 . 1 1 836 836 LEU CA C 836 57.166 57.166 57.134 0.032 25871 5358 1 8 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.788 0.708 25871 5359 1 8 . 1 1 836 836 LEU H H 836 7.617 7.617 7.344 0.273 25871 5360 1 8 . 1 1 837 837 ALA N N 837 119.189 119.189 121.782 -2.593 25871 5361 1 8 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.179 -0.255 25871 5362 1 8 . 1 1 837 837 ALA CA C 837 53.417 53.417 53.465 -0.049 25871 5363 1 8 . 1 1 837 837 ALA CB C 837 19.392 19.392 17.775 1.617 25871 5364 1 8 . 1 1 837 837 ALA H H 837 8.092 8.092 8.615 -0.523 25871 5365 1 8 . 1 1 838 838 GLY N N 838 106.965 106.965 107.754 -0.789 25871 5366 1 8 . 1 1 838 838 GLY CA C 838 47.029 47.029 46.790 0.239 25871 5367 1 8 . 1 1 838 838 GLY H H 838 7.667 7.667 8.079 -0.412 25871 5368 1 8 . 1 1 839 839 ASP N N 839 122.392 122.392 120.492 1.900 25871 5369 1 8 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.481 0.036 25871 5370 1 8 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.654 -1.073 25871 5371 1 8 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.296 -0.712 25871 5372 1 8 . 1 1 839 839 ASP H H 839 8.703 8.703 7.707 0.996 25871 5373 1 8 . 1 1 840 840 LYS N N 840 117.603 117.603 116.028 1.575 25871 5374 1 8 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.627 -0.295 25871 5375 1 8 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.912 1.055 25871 5376 1 8 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.042 -1.291 25871 5377 1 8 . 1 1 840 840 LYS H H 840 7.592 7.592 7.995 -0.403 25871 5378 1 8 . 1 1 841 841 ASN N N 841 116.654 116.654 117.138 -0.484 25871 5379 1 8 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.981 -0.339 25871 5380 1 8 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.077 0.619 25871 5381 1 8 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.156 0.101 25871 5382 1 8 . 1 1 841 841 ASN H H 841 8.689 8.689 8.797 -0.108 25871 5383 1 8 . 1 1 842 842 TYR N N 842 112.231 112.231 114.320 -2.089 25871 5384 1 8 . 1 1 842 842 TYR HA H 842 5.013 5.013 5.015 -0.002 25871 5385 1 8 . 1 1 842 842 TYR CA C 842 55.133 55.133 56.892 -1.759 25871 5386 1 8 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.237 1.391 25871 5387 1 8 . 1 1 842 842 TYR H H 842 6.638 6.638 7.269 -0.631 25871 5388 1 8 . 1 1 843 843 ILE N N 843 115.455 115.455 119.544 -4.089 25871 5389 1 8 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.292 0.508 25871 5390 1 8 . 1 1 843 843 ILE CA C 843 59.462 59.462 58.781 0.681 25871 5391 1 8 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.937 0.532 25871 5392 1 8 . 1 1 843 843 ILE H H 843 8.626 8.626 9.015 -0.389 25871 5393 1 8 . 1 1 844 844 THR N N 844 117.140 117.140 117.411 -0.271 25871 5394 1 8 . 1 1 844 844 THR HA H 844 5.393 5.393 5.228 0.165 25871 5395 1 8 . 1 1 844 844 THR CA C 844 60.380 60.380 59.893 0.487 25871 5396 1 8 . 1 1 844 844 THR CB C 844 71.475 71.475 71.007 0.468 25871 5397 1 8 . 1 1 844 844 THR H H 844 9.329 9.329 8.780 0.549 25871 5398 1 8 . 1 1 845 845 MET N N 845 119.879 119.879 119.647 0.232 25871 5399 1 8 . 1 1 845 845 MET HA H 845 3.852 3.852 4.012 -0.160 25871 5400 1 8 . 1 1 845 845 MET CA C 845 60.389 60.389 60.493 -0.104 25871 5401 1 8 . 1 1 845 845 MET CB C 845 33.110 33.110 32.293 0.817 25871 5402 1 8 . 1 1 845 845 MET H H 845 8.555 8.555 8.737 -0.182 25871 5403 1 8 . 1 1 846 846 ASP N N 846 116.360 116.360 118.673 -2.313 25871 5404 1 8 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.378 -0.068 25871 5405 1 8 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.514 -0.025 25871 5406 1 8 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.319 0.353 25871 5407 1 8 . 1 1 846 846 ASP H H 846 8.375 8.375 8.516 -0.141 25871 5408 1 8 . 1 1 847 847 GLU N N 847 120.575 120.575 119.909 0.666 25871 5409 1 8 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.015 -0.129 25871 5410 1 8 . 1 1 847 847 GLU CA C 847 59.754 59.754 59.160 0.594 25871 5411 1 8 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.780 -0.023 25871 5412 1 8 . 1 1 847 847 GLU H H 847 7.852 7.852 7.505 0.347 25871 5413 1 8 . 1 1 848 848 LEU N N 848 118.753 118.753 118.224 0.529 25871 5414 1 8 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.218 -0.358 25871 5415 1 8 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.156 0.527 25871 5416 1 8 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.558 0.966 25871 5417 1 8 . 1 1 848 848 LEU H H 848 7.834 7.834 8.026 -0.192 25871 5418 1 8 . 1 1 849 849 ARG N N 849 113.976 113.976 118.573 -4.597 25871 5419 1 8 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.137 -0.177 25871 5420 1 8 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.355 0.241 25871 5421 1 8 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.160 -0.015 25871 5422 1 8 . 1 1 849 849 ARG H H 849 8.055 8.055 7.899 0.156 25871 5423 1 8 . 1 1 850 850 ARG N N 850 118.184 118.184 118.252 -0.068 25871 5424 1 8 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.222 0.009 25871 5425 1 8 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.625 -0.246 25871 5426 1 8 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.778 1.335 25871 5427 1 8 . 1 1 850 850 ARG H H 850 7.739 7.739 7.774 -0.035 25871 5428 1 8 . 1 1 851 851 GLU N N 851 115.550 115.550 119.130 -3.580 25871 5429 1 8 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.264 0.116 25871 5430 1 8 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.135 -1.141 25871 5431 1 8 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.627 1.058 25871 5432 1 8 . 1 1 851 851 GLU H H 851 7.591 7.591 7.672 -0.081 25871 5433 1 8 . 1 1 852 852 LEU N N 852 119.170 119.170 119.758 -0.588 25871 5434 1 8 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.841 0.085 25871 5435 1 8 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.322 -0.031 25871 5436 1 8 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.620 1.018 25871 5437 1 8 . 1 1 852 852 LEU H H 852 7.891 7.891 7.627 0.264 25871 5438 1 8 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.572 -0.267 25871 5439 1 8 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.663 3.739 25871 5440 1 8 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.197 0.127 25871 5441 1 8 . 1 1 855 855 ASP N N 855 114.853 114.853 118.567 -3.714 25871 5442 1 8 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.296 0.083 25871 5443 1 8 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.387 -0.329 25871 5444 1 8 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.071 -0.832 25871 5445 1 8 . 1 1 855 855 ASP H H 855 8.796 8.796 8.611 0.185 25871 5446 1 8 . 1 1 856 856 GLN N N 856 121.513 121.513 118.682 2.831 25871 5447 1 8 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.934 0.306 25871 5448 1 8 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.425 -0.041 25871 5449 1 8 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.840 1.502 25871 5450 1 8 . 1 1 856 856 GLN H H 856 7.471 7.471 8.358 -0.887 25871 5451 1 8 . 1 1 857 857 ALA N N 857 122.821 122.821 121.868 0.953 25871 5452 1 8 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.022 -0.192 25871 5453 1 8 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.977 0.428 25871 5454 1 8 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.249 -0.265 25871 5455 1 8 . 1 1 857 857 ALA H H 857 8.889 8.889 8.238 0.651 25871 5456 1 8 . 1 1 858 858 GLU N N 858 114.091 114.091 119.141 -5.050 25871 5457 1 8 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.050 0.006 25871 5458 1 8 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.775 -0.994 25871 5459 1 8 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.609 -0.942 25871 5460 1 8 . 1 1 858 858 GLU H H 858 8.143 8.143 7.795 0.348 25871 5461 1 8 . 1 1 859 859 TYR N N 859 120.670 120.670 119.168 1.502 25871 5462 1 8 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.247 -0.120 25871 5463 1 8 . 1 1 859 859 TYR CA C 859 61.148 61.148 60.987 0.161 25871 5464 1 8 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.860 0.878 25871 5465 1 8 . 1 1 859 859 TYR H H 859 7.708 7.708 8.737 -1.029 25871 5466 1 8 . 1 1 860 860 CYS N N 860 115.848 115.848 118.686 -2.838 25871 5467 1 8 . 1 1 860 860 CYS HA H 860 4.188 4.188 3.991 0.197 25871 5468 1 8 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.251 0.187 25871 5469 1 8 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.381 0.084 25871 5470 1 8 . 1 1 860 860 CYS H H 860 8.119 8.119 7.977 0.142 25871 5471 1 8 . 1 1 861 861 ILE N N 861 120.124 120.124 120.586 -0.462 25871 5472 1 8 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.583 -0.219 25871 5473 1 8 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.737 -0.005 25871 5474 1 8 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.708 1.014 25871 5475 1 8 . 1 1 861 861 ILE H H 861 8.451 8.451 8.183 0.268 25871 5476 1 8 . 1 1 862 862 ALA N N 862 116.691 116.691 120.938 -4.247 25871 5477 1 8 . 1 1 862 862 ALA HA H 862 4.250 4.250 3.850 0.400 25871 5478 1 8 . 1 1 862 862 ALA CA C 862 53.428 53.428 54.239 -0.811 25871 5479 1 8 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.471 0.604 25871 5480 1 8 . 1 1 862 862 ALA H H 862 7.304 7.304 7.990 -0.686 25871 5481 1 8 . 1 1 863 863 ARG N N 863 117.259 117.259 115.926 1.333 25871 5482 1 8 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.184 0.108 25871 5483 1 8 . 1 1 863 863 ARG CA C 863 56.439 56.439 56.161 0.278 25871 5484 1 8 . 1 1 863 863 ARG CB C 863 31.458 31.458 30.453 1.005 25871 5485 1 8 . 1 1 863 863 ARG H H 863 7.357 7.357 7.160 0.197 25871 5486 1 8 . 1 1 864 864 MET N N 864 117.570 117.570 117.762 -0.192 25871 5487 1 8 . 1 1 864 864 MET HA H 864 4.598 4.598 4.222 0.376 25871 5488 1 8 . 1 1 864 864 MET CA C 864 55.180 55.180 56.566 -1.386 25871 5489 1 8 . 1 1 864 864 MET CB C 864 37.428 37.428 33.947 3.481 25871 5490 1 8 . 1 1 864 864 MET H H 864 7.147 7.147 7.523 -0.376 25871 5491 1 8 . 1 1 865 865 ALA N N 865 124.616 124.616 121.404 3.212 25871 5492 1 8 . 1 1 865 865 ALA HA H 865 3.933 3.933 5.068 -1.135 25871 5493 1 8 . 1 1 865 865 ALA CA C 865 49.280 49.280 48.968 0.312 25871 5494 1 8 . 1 1 865 865 ALA CB C 865 18.649 18.649 19.559 -0.910 25871 5495 1 8 . 1 1 865 865 ALA H H 865 8.548 8.548 8.291 0.257 25871 5496 1 8 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.522 -0.003 25871 5497 1 8 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.482 0.339 25871 5498 1 8 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.471 -0.481 25871 5499 1 8 . 1 1 867 867 TYR N N 867 122.454 122.454 122.824 -0.370 25871 5500 1 8 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.659 -0.504 25871 5501 1 8 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.550 -0.599 25871 5502 1 8 . 1 1 867 867 TYR CB C 867 43.347 43.347 41.072 2.275 25871 5503 1 8 . 1 1 867 867 TYR H H 867 8.127 8.127 8.170 -0.043 25871 5504 1 8 . 1 1 869 869 GLY N N 869 105.881 105.881 111.037 -5.156 25871 5505 1 8 . 1 1 869 869 GLY CA C 869 45.090 45.090 44.705 0.385 25871 5506 1 8 . 1 1 869 869 GLY H H 869 5.440 5.440 7.538 -2.098 25871 5507 1 8 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.449 -0.088 25871 5508 1 8 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.528 0.313 25871 5509 1 8 . 1 1 870 870 PRO CB C 870 31.630 31.630 32.076 -0.446 25871 5510 1 8 . 1 1 871 871 ASP N N 871 116.217 116.217 119.189 -2.972 25871 5511 1 8 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.993 -0.357 25871 5512 1 8 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.688 -0.738 25871 5513 1 8 . 1 1 871 871 ASP CB C 871 39.150 39.150 41.178 -2.028 25871 5514 1 8 . 1 1 871 871 ASP H H 871 9.263 9.263 8.440 0.823 25871 5515 1 8 . 1 1 872 872 SER N N 872 112.352 112.352 116.069 -3.717 25871 5516 1 8 . 1 1 872 872 SER HA H 872 3.530 3.530 4.276 -0.746 25871 5517 1 8 . 1 1 872 872 SER CA C 872 59.184 59.184 59.184 0.000 25871 5518 1 8 . 1 1 872 872 SER CB C 872 63.286 63.286 64.259 -0.973 25871 5519 1 8 . 1 1 872 872 SER H H 872 7.487 7.487 7.643 -0.156 25871 5520 1 8 . 1 1 873 873 VAL N N 873 113.588 113.588 114.226 -0.638 25871 5521 1 8 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.623 0.130 25871 5522 1 8 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.196 -0.128 25871 5523 1 8 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.314 -0.397 25871 5524 1 8 . 1 1 873 873 VAL H H 873 6.411 6.411 7.747 -1.336 25871 5525 1 8 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.393 -0.063 25871 5526 1 8 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.539 -0.229 25871 5527 1 8 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.647 -0.024 25871 5528 1 8 . 1 1 875 875 GLY N N 875 112.109 112.109 107.374 4.735 25871 5529 1 8 . 1 1 875 875 GLY CA C 875 45.492 45.492 43.660 1.831 25871 5530 1 8 . 1 1 875 875 GLY H H 875 8.798 8.798 8.129 0.669 25871 5531 1 8 . 1 1 876 876 ALA N N 876 120.267 120.267 124.076 -3.809 25871 5532 1 8 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.256 -1.119 25871 5533 1 8 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.892 2.372 25871 5534 1 8 . 1 1 876 876 ALA CB C 876 20.554 20.554 20.870 -0.316 25871 5535 1 8 . 1 1 876 876 ALA H H 876 7.762 7.762 7.627 0.135 25871 5536 1 8 . 1 1 877 877 LEU N N 877 125.696 125.696 123.064 2.632 25871 5537 1 8 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.043 -0.239 25871 5538 1 8 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.918 0.374 25871 5539 1 8 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.609 -1.768 25871 5540 1 8 . 1 1 877 877 LEU H H 877 9.598 9.598 9.363 0.235 25871 5541 1 8 . 1 1 878 878 ASP N N 878 119.836 119.836 122.852 -3.016 25871 5542 1 8 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.060 -0.141 25871 5543 1 8 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.738 -0.608 25871 5544 1 8 . 1 1 878 878 ASP CB C 878 40.798 40.798 41.976 -1.178 25871 5545 1 8 . 1 1 878 878 ASP H H 878 9.028 9.028 8.590 0.438 25871 5546 1 8 . 1 1 879 879 TYR N N 879 126.600 126.600 125.175 1.425 25871 5547 1 8 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.207 0.411 25871 5548 1 8 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.687 -0.130 25871 5549 1 8 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.125 -0.601 25871 5550 1 8 . 1 1 879 879 TYR H H 879 7.454 7.454 8.057 -0.603 25871 5551 1 8 . 1 1 880 880 MET N N 880 119.910 119.910 117.656 2.254 25871 5552 1 8 . 1 1 880 880 MET HA H 880 4.619 4.619 3.633 0.986 25871 5553 1 8 . 1 1 880 880 MET CA C 880 56.205 56.205 57.822 -1.617 25871 5554 1 8 . 1 1 880 880 MET CB C 880 32.338 32.338 31.999 0.339 25871 5555 1 8 . 1 1 880 880 MET H H 880 7.620 7.620 7.543 0.077 25871 5556 1 8 . 1 1 881 881 SER N N 881 114.353 114.353 114.392 -0.039 25871 5557 1 8 . 1 1 881 881 SER HA H 881 4.501 4.501 4.340 0.161 25871 5558 1 8 . 1 1 881 881 SER CA C 881 58.957 58.957 59.320 -0.363 25871 5559 1 8 . 1 1 881 881 SER CB C 881 64.284 64.284 62.857 1.427 25871 5560 1 8 . 1 1 881 881 SER H H 881 7.721 7.721 7.640 0.081 25871 5561 1 8 . 1 1 882 882 PHE N N 882 122.746 122.746 124.169 -1.423 25871 5562 1 8 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.604 0.145 25871 5563 1 8 . 1 1 882 882 PHE CA C 882 59.451 59.451 59.771 -0.320 25871 5564 1 8 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.763 1.533 25871 5565 1 8 . 1 1 882 882 PHE H H 882 7.386 7.386 7.637 -0.251 25871 5566 1 8 . 1 1 883 883 SER N N 883 120.214 120.214 114.835 5.379 25871 5567 1 8 . 1 1 883 883 SER HA H 883 4.338 4.338 3.772 0.566 25871 5568 1 8 . 1 1 883 883 SER CA C 883 57.455 57.455 60.983 -3.528 25871 5569 1 8 . 1 1 883 883 SER CB C 883 64.684 64.684 62.666 2.018 25871 5570 1 8 . 1 1 883 883 SER H H 883 7.464 7.464 8.355 -0.891 25871 5571 1 8 . 1 1 884 884 THR N N 884 110.671 110.671 112.037 -1.366 25871 5572 1 8 . 1 1 884 884 THR HA H 884 4.008 4.008 4.317 -0.309 25871 5573 1 8 . 1 1 884 884 THR CA C 884 63.367 63.367 61.264 2.103 25871 5574 1 8 . 1 1 884 884 THR CB C 884 69.088 69.088 69.509 -0.421 25871 5575 1 8 . 1 1 884 884 THR H H 884 7.993 7.993 7.588 0.405 25871 5576 1 8 . 1 1 885 885 ALA N N 885 125.453 125.453 123.490 1.963 25871 5577 1 8 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.762 -0.492 25871 5578 1 8 . 1 1 885 885 ALA CA C 885 52.160 52.160 51.721 0.439 25871 5579 1 8 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.394 -2.084 25871 5580 1 8 . 1 1 885 885 ALA H H 885 7.905 7.905 7.519 0.386 25871 5581 1 8 . 1 1 886 886 LEU N N 886 120.791 120.791 117.582 3.209 25871 5582 1 8 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.621 -1.574 25871 5583 1 8 . 1 1 886 886 LEU CA C 886 55.496 55.496 53.911 1.585 25871 5584 1 8 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.281 -2.942 25871 5585 1 8 . 1 1 886 886 LEU H H 886 8.087 8.087 8.247 -0.160 25871 5586 1 8 . 1 1 887 887 TYR N N 887 121.620 121.620 117.333 4.287 25871 5587 1 8 . 1 1 887 887 TYR HA H 887 4.403 4.403 5.038 -0.635 25871 5588 1 8 . 1 1 887 887 TYR CA C 887 58.794 58.794 56.581 2.213 25871 5589 1 8 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.117 -0.496 25871 5590 1 8 . 1 1 887 887 TYR H H 887 8.272 8.272 8.114 0.158 25871 5591 1 8 . 1 1 888 888 GLY N N 888 112.443 112.443 108.545 3.898 25871 5592 1 8 . 1 1 888 888 GLY CA C 888 45.195 45.195 45.730 -0.535 25871 5593 1 8 . 1 1 888 888 GLY H H 888 8.087 8.087 8.203 -0.116 25871 5594 1 8 . 1 1 889 889 GLU N N 889 120.272 120.272 117.922 2.350 25871 5595 1 8 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.398 -0.103 25871 5596 1 8 . 1 1 889 889 GLU CA C 889 56.593 56.593 55.520 1.073 25871 5597 1 8 . 1 1 889 889 GLU CB C 889 30.601 30.601 31.326 -0.725 25871 5598 1 8 . 1 1 889 889 GLU H H 889 7.991 7.991 7.641 0.350 25871 5599 1 8 . 1 1 890 890 SER N N 890 116.330 116.330 115.823 0.507 25871 5600 1 8 . 1 1 890 890 SER HA H 890 4.452 4.452 4.725 -0.273 25871 5601 1 8 . 1 1 890 890 SER CA C 890 58.334 58.334 57.635 0.699 25871 5602 1 8 . 1 1 890 890 SER CB C 890 64.174 64.174 65.303 -1.129 25871 5603 1 8 . 1 1 890 890 SER H H 890 8.325 8.325 8.215 0.110 25871 5604 1 8 . 1 1 891 891 ASP N N 891 122.987 122.987 120.516 2.471 25871 5605 1 8 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.720 -0.068 25871 5606 1 8 . 1 1 891 891 ASP CA C 891 54.534 54.534 55.558 -1.024 25871 5607 1 8 . 1 1 891 891 ASP CB C 891 40.981 40.981 41.251 -0.270 25871 5608 1 8 . 1 1 891 891 ASP H H 891 8.387 8.387 8.519 -0.132 25871 5609 1 9 . 1 1 743 743 ILE N N 743 122.085 122.085 125.627 -3.542 25871 5610 1 9 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.208 0.148 25871 5611 1 9 . 1 1 743 743 ILE CA C 743 60.624 60.624 61.857 -1.233 25871 5612 1 9 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.698 0.325 25871 5613 1 9 . 1 1 743 743 ILE H H 743 8.122 8.122 8.428 -0.306 25871 5614 1 9 . 1 1 744 744 SER N N 744 123.378 123.378 122.597 0.781 25871 5615 1 9 . 1 1 744 744 SER HA H 744 4.472 4.472 4.541 -0.069 25871 5616 1 9 . 1 1 744 744 SER CA C 744 57.581 57.581 57.536 0.045 25871 5617 1 9 . 1 1 744 744 SER CB C 744 65.276 65.276 64.741 0.535 25871 5618 1 9 . 1 1 744 744 SER H H 744 8.844 8.844 8.351 0.493 25871 5619 1 9 . 1 1 745 745 GLN N N 745 121.612 121.612 122.374 -0.762 25871 5620 1 9 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.116 -0.138 25871 5621 1 9 . 1 1 745 745 GLN CA C 745 58.887 58.887 58.876 0.011 25871 5622 1 9 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.655 -0.129 25871 5623 1 9 . 1 1 745 745 GLN H H 745 9.035 9.035 8.978 0.057 25871 5624 1 9 . 1 1 746 746 GLU N N 746 118.618 118.618 117.891 0.727 25871 5625 1 9 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.107 -0.073 25871 5626 1 9 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.889 1.408 25871 5627 1 9 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.980 -0.036 25871 5628 1 9 . 1 1 746 746 GLU H H 746 8.718 8.718 7.777 0.941 25871 5629 1 9 . 1 1 747 747 GLN N N 747 120.436 120.436 119.655 0.781 25871 5630 1 9 . 1 1 747 747 GLN HA H 747 3.824 3.824 3.981 -0.157 25871 5631 1 9 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.713 -0.209 25871 5632 1 9 . 1 1 747 747 GLN CB C 747 28.955 28.955 28.722 0.233 25871 5633 1 9 . 1 1 747 747 GLN H H 747 7.821 7.821 7.326 0.495 25871 5634 1 9 . 1 1 748 748 MET N N 748 119.174 119.174 117.623 1.551 25871 5635 1 9 . 1 1 748 748 MET HA H 748 4.228 4.228 4.527 -0.299 25871 5636 1 9 . 1 1 748 748 MET CA C 748 58.305 58.305 59.252 -0.947 25871 5637 1 9 . 1 1 748 748 MET CB C 748 30.922 30.922 32.251 -1.329 25871 5638 1 9 . 1 1 748 748 MET H H 748 8.477 8.477 8.256 0.221 25871 5639 1 9 . 1 1 749 749 ASN N N 749 117.610 117.610 119.577 -1.967 25871 5640 1 9 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.422 0.083 25871 5641 1 9 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.788 -0.826 25871 5642 1 9 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.318 -0.413 25871 5643 1 9 . 1 1 749 749 ASN H H 749 8.302 8.302 7.961 0.341 25871 5644 1 9 . 1 1 750 750 GLU N N 750 122.737 122.737 120.286 2.451 25871 5645 1 9 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.068 0.178 25871 5646 1 9 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.737 0.788 25871 5647 1 9 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.022 0.387 25871 5648 1 9 . 1 1 750 750 GLU H H 750 7.789 7.789 7.761 0.028 25871 5649 1 9 . 1 1 751 751 PHE N N 751 120.358 120.358 121.486 -1.128 25871 5650 1 9 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.359 0.619 25871 5651 1 9 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.111 -3.468 25871 5652 1 9 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.839 -1.361 25871 5653 1 9 . 1 1 751 751 PHE H H 751 8.772 8.772 8.223 0.549 25871 5654 1 9 . 1 1 752 752 ARG N N 752 120.173 120.173 119.270 0.903 25871 5655 1 9 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.365 -0.218 25871 5656 1 9 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.761 -2.960 25871 5657 1 9 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.111 0.251 25871 5658 1 9 . 1 1 752 752 ARG H H 752 8.990 8.990 8.769 0.221 25871 5659 1 9 . 1 1 753 753 ALA N N 753 120.965 120.965 122.234 -1.269 25871 5660 1 9 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.223 0.032 25871 5661 1 9 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.111 0.314 25871 5662 1 9 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.093 -0.081 25871 5663 1 9 . 1 1 753 753 ALA H H 753 8.136 8.136 8.461 -0.325 25871 5664 1 9 . 1 1 754 754 SER N N 754 115.350 115.350 115.222 0.128 25871 5665 1 9 . 1 1 754 754 SER HA H 754 4.451 4.451 4.326 0.125 25871 5666 1 9 . 1 1 754 754 SER CA C 754 63.045 63.045 61.644 1.401 25871 5667 1 9 . 1 1 754 754 SER CB C 754 63.111 63.111 63.335 -0.224 25871 5668 1 9 . 1 1 754 754 SER H H 754 8.366 8.366 8.434 -0.068 25871 5669 1 9 . 1 1 755 755 PHE N N 755 121.902 121.902 121.773 0.129 25871 5670 1 9 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.285 -0.299 25871 5671 1 9 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.564 1.789 25871 5672 1 9 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.023 1.142 25871 5673 1 9 . 1 1 755 755 PHE H H 755 8.498 8.498 8.172 0.326 25871 5674 1 9 . 1 1 756 756 ASN N N 756 114.071 114.071 118.056 -3.985 25871 5675 1 9 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.732 0.798 25871 5676 1 9 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.400 0.404 25871 5677 1 9 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.512 -0.579 25871 5678 1 9 . 1 1 756 756 ASN H H 756 8.722 8.722 8.074 0.648 25871 5679 1 9 . 1 1 757 757 HIS N N 757 119.524 119.524 118.975 0.549 25871 5680 1 9 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.313 -0.191 25871 5681 1 9 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.781 -0.311 25871 5682 1 9 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.255 -0.208 25871 5683 1 9 . 1 1 757 757 HIS H H 757 8.027 8.027 8.101 -0.074 25871 5684 1 9 . 1 1 758 758 PHE N N 758 113.439 113.439 117.501 -4.062 25871 5685 1 9 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.475 -0.368 25871 5686 1 9 . 1 1 758 758 PHE CA C 758 60.068 60.068 60.050 0.018 25871 5687 1 9 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.607 0.381 25871 5688 1 9 . 1 1 758 758 PHE H H 758 7.322 7.322 8.280 -0.958 25871 5689 1 9 . 1 1 759 759 ASP N N 759 121.632 121.632 119.702 1.930 25871 5690 1 9 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.776 -0.160 25871 5691 1 9 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.598 0.010 25871 5692 1 9 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.003 -0.322 25871 5693 1 9 . 1 1 759 759 ASP H H 759 7.439 7.439 8.465 -1.026 25871 5694 1 9 . 1 1 760 760 ARG N N 760 123.429 123.429 122.044 1.385 25871 5695 1 9 . 1 1 760 760 ARG HA H 760 3.825 3.825 4.215 -0.390 25871 5696 1 9 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.501 1.130 25871 5697 1 9 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.171 -0.098 25871 5698 1 9 . 1 1 760 760 ARG H H 760 7.797 7.797 7.843 -0.046 25871 5699 1 9 . 1 1 761 761 ASP N N 761 115.027 115.027 118.445 -3.418 25871 5700 1 9 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.420 0.061 25871 5701 1 9 . 1 1 761 761 ASP CA C 761 52.478 52.478 52.997 -0.519 25871 5702 1 9 . 1 1 761 761 ASP CB C 761 39.500 39.500 40.558 -1.058 25871 5703 1 9 . 1 1 761 761 ASP H H 761 8.470 8.470 7.902 0.568 25871 5704 1 9 . 1 1 762 762 HIS N N 762 117.442 117.442 114.509 2.933 25871 5705 1 9 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.429 -0.192 25871 5706 1 9 . 1 1 762 762 HIS CA C 762 56.493 56.493 55.941 0.552 25871 5707 1 9 . 1 1 762 762 HIS CB C 762 26.581 26.581 26.857 -0.276 25871 5708 1 9 . 1 1 762 762 HIS H H 762 7.716 7.716 7.656 0.060 25871 5709 1 9 . 1 1 763 763 SER N N 763 117.624 117.624 115.662 1.962 25871 5710 1 9 . 1 1 763 763 SER HA H 763 4.441 4.441 4.324 0.117 25871 5711 1 9 . 1 1 763 763 SER CA C 763 59.706 59.706 59.574 0.132 25871 5712 1 9 . 1 1 763 763 SER CB C 763 65.228 65.228 64.283 0.945 25871 5713 1 9 . 1 1 763 763 SER H H 763 9.708 9.708 8.468 1.240 25871 5714 1 9 . 1 1 764 764 GLY N N 764 117.320 117.320 111.280 6.040 25871 5715 1 9 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.680 0.079 25871 5716 1 9 . 1 1 764 764 GLY H H 764 11.185 11.185 9.420 1.765 25871 5717 1 9 . 1 1 765 765 THR N N 765 110.392 110.392 110.584 -0.192 25871 5718 1 9 . 1 1 765 765 THR HA H 765 5.197 5.197 5.217 -0.020 25871 5719 1 9 . 1 1 765 765 THR CA C 765 59.125 59.125 60.174 -1.049 25871 5720 1 9 . 1 1 765 765 THR CB C 765 73.022 73.022 72.253 0.769 25871 5721 1 9 . 1 1 765 765 THR H H 765 7.972 7.972 7.538 0.434 25871 5722 1 9 . 1 1 766 766 LEU N N 766 117.658 117.658 119.244 -1.586 25871 5723 1 9 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.731 0.093 25871 5724 1 9 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.169 -0.417 25871 5725 1 9 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.876 -1.663 25871 5726 1 9 . 1 1 766 766 LEU H H 766 8.589 8.589 8.401 0.188 25871 5727 1 9 . 1 1 767 767 GLY N N 767 108.644 108.644 107.433 1.211 25871 5728 1 9 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.775 0.161 25871 5729 1 9 . 1 1 767 767 GLY H H 767 8.601 8.601 8.573 0.028 25871 5730 1 9 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.412 -0.131 25871 5731 1 9 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.357 1.516 25871 5732 1 9 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.140 0.051 25871 5733 1 9 . 1 1 769 769 GLU N N 769 115.170 115.170 119.588 -4.418 25871 5734 1 9 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.897 0.035 25871 5735 1 9 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.330 0.443 25871 5736 1 9 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.110 -0.282 25871 5737 1 9 . 1 1 769 769 GLU H H 769 8.649 8.649 8.781 -0.132 25871 5738 1 9 . 1 1 770 770 GLU N N 770 121.294 121.294 121.006 0.288 25871 5739 1 9 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.206 -0.093 25871 5740 1 9 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.390 0.228 25871 5741 1 9 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.168 1.135 25871 5742 1 9 . 1 1 770 770 GLU H H 770 7.846 7.846 8.148 -0.302 25871 5743 1 9 . 1 1 771 771 PHE N N 771 119.292 119.292 118.517 0.775 25871 5744 1 9 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.122 0.120 25871 5745 1 9 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.927 -0.823 25871 5746 1 9 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.845 -0.119 25871 5747 1 9 . 1 1 771 771 PHE H H 771 8.876 8.876 8.479 0.397 25871 5748 1 9 . 1 1 772 772 LYS N N 772 120.139 120.139 120.513 -0.374 25871 5749 1 9 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.966 -0.790 25871 5750 1 9 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.444 1.041 25871 5751 1 9 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.277 -0.593 25871 5752 1 9 . 1 1 772 772 LYS H H 772 8.404 8.404 7.602 0.802 25871 5753 1 9 . 1 1 773 773 ALA N N 773 118.856 118.856 121.778 -2.922 25871 5754 1 9 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.146 -0.354 25871 5755 1 9 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.362 0.605 25871 5756 1 9 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.346 -0.401 25871 5757 1 9 . 1 1 773 773 ALA H H 773 7.180 7.180 8.121 -0.941 25871 5758 1 9 . 1 1 774 774 CYS N N 774 121.600 121.600 117.819 3.781 25871 5759 1 9 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.891 0.295 25871 5760 1 9 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.032 0.547 25871 5761 1 9 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.228 -0.198 25871 5762 1 9 . 1 1 774 774 CYS H H 774 7.731 7.731 7.543 0.188 25871 5763 1 9 . 1 1 775 775 LEU N N 775 120.029 120.029 119.173 0.856 25871 5764 1 9 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.606 0.233 25871 5765 1 9 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.306 1.043 25871 5766 1 9 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.043 -0.515 25871 5767 1 9 . 1 1 775 775 LEU H H 775 8.353 8.353 7.067 1.286 25871 5768 1 9 . 1 1 776 776 ILE N N 776 121.900 121.900 118.581 3.319 25871 5769 1 9 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.155 0.074 25871 5770 1 9 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.461 1.062 25871 5771 1 9 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.629 0.632 25871 5772 1 9 . 1 1 776 776 ILE H H 776 8.405 8.405 7.332 1.073 25871 5773 1 9 . 1 1 777 777 SER N N 777 119.490 119.490 116.387 3.103 25871 5774 1 9 . 1 1 777 777 SER HA H 777 4.435 4.435 4.300 0.135 25871 5775 1 9 . 1 1 777 777 SER CA C 777 61.843 61.843 61.245 0.598 25871 5776 1 9 . 1 1 777 777 SER CB C 777 62.953 62.953 62.962 -0.009 25871 5777 1 9 . 1 1 777 777 SER H H 777 8.144 8.144 7.848 0.296 25871 5778 1 9 . 1 1 778 778 LEU N N 778 122.142 122.142 119.732 2.410 25871 5779 1 9 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.594 0.048 25871 5780 1 9 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.014 0.063 25871 5781 1 9 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.718 -0.098 25871 5782 1 9 . 1 1 778 778 LEU H H 778 7.644 7.644 7.858 -0.214 25871 5783 1 9 . 1 1 779 779 GLY N N 779 106.613 106.613 106.499 0.114 25871 5784 1 9 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.628 0.522 25871 5785 1 9 . 1 1 779 779 GLY H H 779 7.982 7.982 7.628 0.354 25871 5786 1 9 . 1 1 780 780 TYR N N 780 121.620 121.620 119.232 2.388 25871 5787 1 9 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.590 -0.425 25871 5788 1 9 . 1 1 780 780 TYR CA C 780 59.373 59.373 56.383 2.990 25871 5789 1 9 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.668 -1.274 25871 5790 1 9 . 1 1 780 780 TYR H H 780 8.174 8.174 7.735 0.439 25871 5791 1 9 . 1 1 781 781 ASP N N 781 124.225 124.225 126.550 -2.325 25871 5792 1 9 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.778 -0.089 25871 5793 1 9 . 1 1 781 781 ASP CA C 781 53.565 53.565 54.670 -1.105 25871 5794 1 9 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.338 0.777 25871 5795 1 9 . 1 1 781 781 ASP H H 781 8.650 8.650 8.940 -0.290 25871 5796 1 9 . 1 1 782 782 ILE N N 782 123.492 123.492 120.892 2.600 25871 5797 1 9 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.250 -0.001 25871 5798 1 9 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.628 -1.138 25871 5799 1 9 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.521 0.904 25871 5800 1 9 . 1 1 782 782 ILE H H 782 7.300 7.300 7.902 -0.602 25871 5801 1 9 . 1 1 783 783 GLY N N 783 113.404 113.404 113.294 0.110 25871 5802 1 9 . 1 1 783 783 GLY CA C 783 44.630 44.630 44.818 -0.188 25871 5803 1 9 . 1 1 783 783 GLY H H 783 8.345 8.345 8.463 -0.118 25871 5804 1 9 . 1 1 784 784 ASN N N 784 119.115 119.115 115.996 3.119 25871 5805 1 9 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.238 0.690 25871 5806 1 9 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.768 -1.713 25871 5807 1 9 . 1 1 784 784 ASN CB C 784 37.467 37.467 37.826 -0.359 25871 5808 1 9 . 1 1 784 784 ASN H H 784 8.476 8.476 8.464 0.012 25871 5809 1 9 . 1 1 785 785 ASP N N 785 119.675 119.675 119.739 -0.064 25871 5810 1 9 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.719 0.101 25871 5811 1 9 . 1 1 785 785 ASP CA C 785 52.365 52.365 53.051 -0.686 25871 5812 1 9 . 1 1 785 785 ASP CB C 785 39.736 39.736 40.888 -1.152 25871 5813 1 9 . 1 1 785 785 ASP H H 785 8.081 8.081 7.797 0.284 25871 5814 1 9 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.245 0.062 25871 5815 1 9 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.313 0.900 25871 5816 1 9 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.081 -0.101 25871 5817 1 9 . 1 1 787 787 GLN N N 787 118.154 118.154 118.735 -0.581 25871 5818 1 9 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.303 -0.125 25871 5819 1 9 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.222 1.211 25871 5820 1 9 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.468 0.200 25871 5821 1 9 . 1 1 787 787 GLN H H 787 8.413 8.413 8.708 -0.295 25871 5822 1 9 . 1 1 788 788 GLY N N 788 113.343 113.343 109.526 3.817 25871 5823 1 9 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.877 0.574 25871 5824 1 9 . 1 1 788 788 GLY H H 788 8.644 8.644 8.407 0.237 25871 5825 1 9 . 1 1 789 789 GLU N N 789 121.232 121.232 121.986 -0.754 25871 5826 1 9 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.079 0.082 25871 5827 1 9 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.790 -0.357 25871 5828 1 9 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.476 0.166 25871 5829 1 9 . 1 1 789 789 GLU H H 789 8.539 8.539 8.697 -0.158 25871 5830 1 9 . 1 1 790 790 ALA N N 790 122.805 122.805 121.205 1.600 25871 5831 1 9 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.138 0.135 25871 5832 1 9 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.152 -0.204 25871 5833 1 9 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.438 -0.537 25871 5834 1 9 . 1 1 790 790 ALA H H 790 8.035 8.035 7.593 0.442 25871 5835 1 9 . 1 1 791 791 GLU N N 791 122.504 122.504 117.091 5.413 25871 5836 1 9 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.180 0.569 25871 5837 1 9 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.561 0.906 25871 5838 1 9 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.731 -1.152 25871 5839 1 9 . 1 1 791 791 GLU H H 791 8.309 8.309 7.758 0.551 25871 5840 1 9 . 1 1 792 792 PHE N N 792 119.966 119.966 122.194 -2.228 25871 5841 1 9 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.271 -0.073 25871 5842 1 9 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.553 1.065 25871 5843 1 9 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.234 -0.769 25871 5844 1 9 . 1 1 792 792 PHE H H 792 8.835 8.835 8.419 0.416 25871 5845 1 9 . 1 1 793 793 ALA N N 793 119.978 119.978 122.181 -2.203 25871 5846 1 9 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.611 0.295 25871 5847 1 9 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.218 -0.198 25871 5848 1 9 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.073 -0.437 25871 5849 1 9 . 1 1 793 793 ALA H H 793 8.147 8.147 8.521 -0.374 25871 5850 1 9 . 1 1 794 794 ARG N N 794 121.286 121.286 116.221 5.065 25871 5851 1 9 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.108 -0.171 25871 5852 1 9 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.282 1.354 25871 5853 1 9 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.833 0.424 25871 5854 1 9 . 1 1 794 794 ARG H H 794 7.953 7.953 7.547 0.406 25871 5855 1 9 . 1 1 795 795 ILE N N 795 121.594 121.594 120.581 1.013 25871 5856 1 9 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.520 -0.209 25871 5857 1 9 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.555 1.622 25871 5858 1 9 . 1 1 795 795 ILE CB C 795 38.334 38.334 38.051 0.283 25871 5859 1 9 . 1 1 795 795 ILE H H 795 8.091 8.091 7.102 0.989 25871 5860 1 9 . 1 1 796 796 MET N N 796 118.593 118.593 117.361 1.232 25871 5861 1 9 . 1 1 796 796 MET HA H 796 4.266 4.266 4.012 0.254 25871 5862 1 9 . 1 1 796 796 MET CA C 796 56.204 56.204 59.055 -2.851 25871 5863 1 9 . 1 1 796 796 MET CB C 796 29.453 29.453 31.690 -2.237 25871 5864 1 9 . 1 1 796 796 MET H H 796 8.543 8.543 8.193 0.350 25871 5865 1 9 . 1 1 797 797 SER N N 797 114.792 114.792 114.169 0.623 25871 5866 1 9 . 1 1 797 797 SER HA H 797 4.131 4.131 4.272 -0.141 25871 5867 1 9 . 1 1 797 797 SER CA C 797 61.233 61.233 61.219 0.014 25871 5868 1 9 . 1 1 797 797 SER CB C 797 63.017 63.017 63.023 -0.006 25871 5869 1 9 . 1 1 797 797 SER H H 797 7.740 7.740 7.548 0.192 25871 5870 1 9 . 1 1 798 798 ILE N N 798 121.041 121.041 119.535 1.506 25871 5871 1 9 . 1 1 798 798 ILE HA H 798 3.869 3.869 4.040 -0.171 25871 5872 1 9 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.685 0.254 25871 5873 1 9 . 1 1 798 798 ILE CB C 798 38.891 38.891 39.128 -0.237 25871 5874 1 9 . 1 1 798 798 ILE H H 798 7.352 7.352 7.583 -0.231 25871 5875 1 9 . 1 1 799 799 VAL N N 799 110.418 110.418 111.732 -1.314 25871 5876 1 9 . 1 1 799 799 VAL HA H 799 4.211 4.211 3.995 0.216 25871 5877 1 9 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.776 -0.592 25871 5878 1 9 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.534 -0.124 25871 5879 1 9 . 1 1 799 799 VAL H H 799 7.806 7.806 7.757 0.049 25871 5880 1 9 . 1 1 800 800 ASP N N 800 119.703 119.703 118.893 0.810 25871 5881 1 9 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.011 0.246 25871 5882 1 9 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.547 0.188 25871 5883 1 9 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.679 -0.345 25871 5884 1 9 . 1 1 800 800 ASP H H 800 8.124 8.124 7.570 0.554 25871 5885 1 9 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.523 -0.163 25871 5886 1 9 . 1 1 801 801 PRO CA C 801 65.035 65.035 63.800 1.235 25871 5887 1 9 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.165 -0.268 25871 5888 1 9 . 1 1 802 802 ASN N N 802 115.156 115.156 116.576 -1.420 25871 5889 1 9 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.670 0.109 25871 5890 1 9 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.066 0.162 25871 5891 1 9 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.626 -0.412 25871 5892 1 9 . 1 1 802 802 ASN H H 802 8.967 8.967 7.938 1.029 25871 5893 1 9 . 1 1 803 803 ARG N N 803 117.568 117.568 115.939 1.629 25871 5894 1 9 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.147 -0.298 25871 5895 1 9 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.487 0.489 25871 5896 1 9 . 1 1 803 803 ARG CB C 803 26.440 26.440 26.866 -0.426 25871 5897 1 9 . 1 1 803 803 ARG H H 803 8.013 8.013 7.856 0.157 25871 5898 1 9 . 1 1 804 804 LEU N N 804 122.899 122.899 119.950 2.949 25871 5899 1 9 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.190 0.022 25871 5900 1 9 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.928 0.233 25871 5901 1 9 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.239 0.649 25871 5902 1 9 . 1 1 804 804 LEU H H 804 10.338 10.338 8.842 1.496 25871 5903 1 9 . 1 1 805 805 GLY N N 805 110.909 110.909 106.747 4.162 25871 5904 1 9 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.358 -0.077 25871 5905 1 9 . 1 1 805 805 GLY H H 805 10.955 10.955 9.009 1.946 25871 5906 1 9 . 1 1 806 806 VAL N N 806 111.683 111.683 112.734 -1.051 25871 5907 1 9 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.200 -0.617 25871 5908 1 9 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.297 0.118 25871 5909 1 9 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.300 1.002 25871 5910 1 9 . 1 1 806 806 VAL H H 806 6.806 6.806 7.390 -0.584 25871 5911 1 9 . 1 1 807 807 VAL N N 807 123.649 123.649 120.029 3.620 25871 5912 1 9 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.481 -0.295 25871 5913 1 9 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.373 1.307 25871 5914 1 9 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.010 -2.107 25871 5915 1 9 . 1 1 807 807 VAL H H 807 9.156 9.156 8.857 0.299 25871 5916 1 9 . 1 1 808 808 THR N N 808 116.404 116.404 117.909 -1.505 25871 5917 1 9 . 1 1 808 808 THR HA H 808 4.782 4.782 4.834 -0.052 25871 5918 1 9 . 1 1 808 808 THR CA C 808 62.526 62.526 59.077 3.449 25871 5919 1 9 . 1 1 808 808 THR CB C 808 69.707 69.707 71.162 -1.456 25871 5920 1 9 . 1 1 808 808 THR H H 808 7.948 7.948 8.132 -0.184 25871 5921 1 9 . 1 1 809 809 PHE N N 809 121.514 121.514 123.325 -1.811 25871 5922 1 9 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.458 -0.956 25871 5923 1 9 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.338 -0.560 25871 5924 1 9 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.923 -0.488 25871 5925 1 9 . 1 1 809 809 PHE H H 809 8.528 8.528 8.409 0.119 25871 5926 1 9 . 1 1 810 810 GLN N N 810 116.869 116.869 118.326 -1.457 25871 5927 1 9 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.690 -0.069 25871 5928 1 9 . 1 1 810 810 GLN CA C 810 58.548 58.548 58.002 0.547 25871 5929 1 9 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.942 0.455 25871 5930 1 9 . 1 1 810 810 GLN H H 810 8.638 8.638 8.300 0.338 25871 5931 1 9 . 1 1 811 811 ALA N N 811 121.318 121.318 122.620 -1.302 25871 5932 1 9 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.986 0.162 25871 5933 1 9 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.548 0.541 25871 5934 1 9 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.601 0.639 25871 5935 1 9 . 1 1 811 811 ALA H H 811 7.795 7.795 7.497 0.298 25871 5936 1 9 . 1 1 812 812 PHE N N 812 119.498 119.498 116.325 3.173 25871 5937 1 9 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.813 0.364 25871 5938 1 9 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.249 1.248 25871 5939 1 9 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.667 0.359 25871 5940 1 9 . 1 1 812 812 PHE H H 812 8.093 8.093 7.628 0.465 25871 5941 1 9 . 1 1 813 813 ILE N N 813 119.554 119.554 117.960 1.594 25871 5942 1 9 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.619 0.526 25871 5943 1 9 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.853 -0.677 25871 5944 1 9 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.639 0.151 25871 5945 1 9 . 1 1 813 813 ILE H H 813 8.316 8.316 6.537 1.779 25871 5946 1 9 . 1 1 814 814 ASP N N 814 123.772 123.772 120.373 3.399 25871 5947 1 9 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.225 0.015 25871 5948 1 9 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.092 0.811 25871 5949 1 9 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.586 -0.344 25871 5950 1 9 . 1 1 814 814 ASP H H 814 8.434 8.434 7.388 1.046 25871 5951 1 9 . 1 1 815 815 PHE N N 815 121.079 121.079 117.002 4.077 25871 5952 1 9 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.600 -0.427 25871 5953 1 9 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.903 2.222 25871 5954 1 9 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.104 1.188 25871 5955 1 9 . 1 1 815 815 PHE H H 815 7.904 7.904 7.069 0.835 25871 5956 1 9 . 1 1 816 816 MET N N 816 117.231 117.231 121.592 -4.361 25871 5957 1 9 . 1 1 816 816 MET HA H 816 3.864 3.864 4.298 -0.434 25871 5958 1 9 . 1 1 816 816 MET CA C 816 55.934 55.934 57.353 -1.419 25871 5959 1 9 . 1 1 816 816 MET CB C 816 30.451 30.451 31.251 -0.800 25871 5960 1 9 . 1 1 816 816 MET H H 816 8.270 8.270 7.463 0.807 25871 5961 1 9 . 1 1 817 817 SER N N 817 114.308 114.308 114.667 -0.359 25871 5962 1 9 . 1 1 817 817 SER HA H 817 4.209 4.209 4.091 0.118 25871 5963 1 9 . 1 1 817 817 SER CA C 817 60.410 60.410 60.566 -0.156 25871 5964 1 9 . 1 1 817 817 SER CB C 817 63.328 63.328 62.895 0.433 25871 5965 1 9 . 1 1 817 817 SER H H 817 8.100 8.100 7.867 0.233 25871 5966 1 9 . 1 1 818 818 ARG N N 818 121.459 121.459 118.918 2.541 25871 5967 1 9 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.275 -0.111 25871 5968 1 9 . 1 1 818 818 ARG CA C 818 57.468 57.468 58.371 -0.903 25871 5969 1 9 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.419 -0.034 25871 5970 1 9 . 1 1 818 818 ARG H H 818 7.329 7.329 7.746 -0.417 25871 5971 1 9 . 1 1 819 819 GLU N N 819 119.944 119.944 120.360 -0.416 25871 5972 1 9 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.286 -0.122 25871 5973 1 9 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.796 -1.328 25871 5974 1 9 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.935 0.591 25871 5975 1 9 . 1 1 819 819 GLU H H 819 8.059 8.059 8.182 -0.123 25871 5976 1 9 . 1 1 820 820 THR N N 820 112.658 112.658 113.009 -0.351 25871 5977 1 9 . 1 1 820 820 THR HA H 820 4.309 4.309 4.475 -0.166 25871 5978 1 9 . 1 1 820 820 THR CA C 820 62.191 62.191 61.115 1.076 25871 5979 1 9 . 1 1 820 820 THR CB C 820 69.877 69.877 68.599 1.278 25871 5980 1 9 . 1 1 820 820 THR H H 820 7.789 7.789 7.784 0.005 25871 5981 1 9 . 1 1 821 821 ALA N N 821 126.145 126.145 123.330 2.815 25871 5982 1 9 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.136 0.196 25871 5983 1 9 . 1 1 821 821 ALA CA C 821 52.816 52.816 53.334 -0.518 25871 5984 1 9 . 1 1 821 821 ALA CB C 821 19.459 19.459 19.268 0.191 25871 5985 1 9 . 1 1 821 821 ALA H H 821 8.003 8.003 7.163 0.840 25871 5986 1 9 . 1 1 822 822 ASP N N 822 120.003 120.003 120.390 -0.387 25871 5987 1 9 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.497 0.145 25871 5988 1 9 . 1 1 822 822 ASP CA C 822 54.439 54.439 55.290 -0.851 25871 5989 1 9 . 1 1 822 822 ASP CB C 822 40.866 40.866 41.060 -0.194 25871 5990 1 9 . 1 1 822 822 ASP H H 822 8.330 8.330 8.236 0.094 25871 5991 1 9 . 1 1 823 823 THR N N 823 114.181 114.181 115.816 -1.635 25871 5992 1 9 . 1 1 823 823 THR HA H 823 4.304 4.304 4.281 0.023 25871 5993 1 9 . 1 1 823 823 THR CA C 823 62.284 62.284 62.749 -0.465 25871 5994 1 9 . 1 1 823 823 THR CB C 823 69.738 69.738 69.548 0.190 25871 5995 1 9 . 1 1 823 823 THR H H 823 8.093 8.093 8.236 -0.143 25871 5996 1 9 . 1 1 824 824 ASP N N 824 123.285 123.285 124.869 -1.584 25871 5997 1 9 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.573 0.078 25871 5998 1 9 . 1 1 824 824 ASP CA C 824 54.595 54.595 54.640 -0.045 25871 5999 1 9 . 1 1 824 824 ASP CB C 824 41.145 41.145 41.790 -0.645 25871 6000 1 9 . 1 1 824 824 ASP H H 824 8.426 8.426 8.379 0.047 25871 6001 1 9 . 1 1 825 825 THR N N 825 114.970 114.970 120.283 -5.313 25871 6002 1 9 . 1 1 825 825 THR HA H 825 4.313 4.313 4.138 0.175 25871 6003 1 9 . 1 1 825 825 THR CA C 825 62.329 62.329 64.718 -2.389 25871 6004 1 9 . 1 1 825 825 THR CB C 825 69.541 69.541 68.984 0.557 25871 6005 1 9 . 1 1 825 825 THR H H 825 8.157 8.157 8.530 -0.373 25871 6006 1 9 . 1 1 826 826 ALA N N 826 124.991 124.991 122.660 2.331 25871 6007 1 9 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.235 -0.034 25871 6008 1 9 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.971 -0.498 25871 6009 1 9 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.463 0.233 25871 6010 1 9 . 1 1 826 826 ALA H H 826 8.374 8.374 8.702 -0.328 25871 6011 1 9 . 1 1 827 827 ASP N N 827 117.795 117.795 118.702 -0.907 25871 6012 1 9 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.352 0.110 25871 6013 1 9 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.036 -0.885 25871 6014 1 9 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.864 0.065 25871 6015 1 9 . 1 1 827 827 ASP H H 827 8.255 8.255 8.030 0.225 25871 6016 1 9 . 1 1 828 828 GLN N N 828 120.646 120.646 118.956 1.690 25871 6017 1 9 . 1 1 828 828 GLN HA H 828 4.121 4.121 4.009 0.112 25871 6018 1 9 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.811 -0.861 25871 6019 1 9 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.756 -0.170 25871 6020 1 9 . 1 1 828 828 GLN H H 828 8.086 8.086 7.583 0.503 25871 6021 1 9 . 1 1 829 829 VAL N N 829 120.933 120.933 119.724 1.209 25871 6022 1 9 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.648 -0.097 25871 6023 1 9 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.899 0.422 25871 6024 1 9 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.580 0.170 25871 6025 1 9 . 1 1 829 829 VAL H H 829 8.048 8.048 7.341 0.707 25871 6026 1 9 . 1 1 830 830 MET N N 830 119.386 119.386 120.732 -1.346 25871 6027 1 9 . 1 1 830 830 MET HA H 830 4.030 4.030 4.500 -0.470 25871 6028 1 9 . 1 1 830 830 MET CA C 830 58.013 58.013 58.314 -0.301 25871 6029 1 9 . 1 1 830 830 MET CB C 830 32.110 32.110 32.293 -0.183 25871 6030 1 9 . 1 1 830 830 MET H H 830 8.088 8.088 8.230 -0.142 25871 6031 1 9 . 1 1 831 831 ALA N N 831 121.027 121.027 120.642 0.385 25871 6032 1 9 . 1 1 831 831 ALA HA H 831 4.075 4.075 4.029 0.046 25871 6033 1 9 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.205 -0.586 25871 6034 1 9 . 1 1 831 831 ALA CB C 831 18.126 18.126 17.971 0.155 25871 6035 1 9 . 1 1 831 831 ALA H H 831 7.829 7.829 8.392 -0.563 25871 6036 1 9 . 1 1 832 832 SER N N 832 114.314 114.314 114.735 -0.421 25871 6037 1 9 . 1 1 832 832 SER HA H 832 4.181 4.181 4.101 0.080 25871 6038 1 9 . 1 1 832 832 SER CA C 832 61.039 61.039 61.610 -0.571 25871 6039 1 9 . 1 1 832 832 SER CB C 832 62.671 62.671 62.826 -0.155 25871 6040 1 9 . 1 1 832 832 SER H H 832 7.711 7.711 7.537 0.174 25871 6041 1 9 . 1 1 833 833 PHE N N 833 121.898 121.898 119.662 2.236 25871 6042 1 9 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.111 0.119 25871 6043 1 9 . 1 1 833 833 PHE CA C 833 58.434 58.434 60.218 -1.784 25871 6044 1 9 . 1 1 833 833 PHE CB C 833 38.249 38.249 38.000 0.249 25871 6045 1 9 . 1 1 833 833 PHE H H 833 7.717 7.717 7.514 0.203 25871 6046 1 9 . 1 1 834 834 LYS N N 834 118.752 118.752 119.644 -0.892 25871 6047 1 9 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.974 -0.352 25871 6048 1 9 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.135 0.291 25871 6049 1 9 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.149 0.035 25871 6050 1 9 . 1 1 834 834 LYS H H 834 7.844 7.844 7.684 0.160 25871 6051 1 9 . 1 1 835 835 ILE N N 835 118.528 118.528 117.779 0.749 25871 6052 1 9 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.846 -0.076 25871 6053 1 9 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.307 -0.588 25871 6054 1 9 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.473 -0.567 25871 6055 1 9 . 1 1 835 835 ILE H H 835 7.311 7.311 7.352 -0.041 25871 6056 1 9 . 1 1 836 836 LEU N N 836 121.176 121.176 118.787 2.389 25871 6057 1 9 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.241 -0.251 25871 6058 1 9 . 1 1 836 836 LEU CA C 836 57.166 57.166 57.095 0.071 25871 6059 1 9 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.863 0.633 25871 6060 1 9 . 1 1 836 836 LEU H H 836 7.617 7.617 7.378 0.239 25871 6061 1 9 . 1 1 837 837 ALA N N 837 119.189 119.189 119.797 -0.608 25871 6062 1 9 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.092 -0.168 25871 6063 1 9 . 1 1 837 837 ALA CA C 837 53.417 53.417 53.531 -0.114 25871 6064 1 9 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.962 0.430 25871 6065 1 9 . 1 1 837 837 ALA H H 837 8.092 8.092 8.118 -0.026 25871 6066 1 9 . 1 1 838 838 GLY N N 838 106.965 106.965 107.932 -0.967 25871 6067 1 9 . 1 1 838 838 GLY CA C 838 47.029 47.029 47.197 -0.168 25871 6068 1 9 . 1 1 838 838 GLY H H 838 7.667 7.667 7.555 0.112 25871 6069 1 9 . 1 1 839 839 ASP N N 839 122.392 122.392 125.458 -3.066 25871 6070 1 9 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.700 -0.183 25871 6071 1 9 . 1 1 839 839 ASP CA C 839 54.581 54.581 53.798 0.783 25871 6072 1 9 . 1 1 839 839 ASP CB C 839 40.584 40.584 40.749 -0.165 25871 6073 1 9 . 1 1 839 839 ASP H H 839 8.703 8.703 8.301 0.402 25871 6074 1 9 . 1 1 840 840 LYS N N 840 117.603 117.603 120.069 -2.466 25871 6075 1 9 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.535 -0.203 25871 6076 1 9 . 1 1 840 840 LYS CA C 840 55.967 55.967 55.652 0.315 25871 6077 1 9 . 1 1 840 840 LYS CB C 840 33.751 33.751 33.807 -0.056 25871 6078 1 9 . 1 1 840 840 LYS H H 840 7.592 7.592 7.713 -0.121 25871 6079 1 9 . 1 1 841 841 ASN N N 841 116.654 116.654 117.903 -1.249 25871 6080 1 9 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.756 -0.114 25871 6081 1 9 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.350 0.346 25871 6082 1 9 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.088 0.168 25871 6083 1 9 . 1 1 841 841 ASN H H 841 8.689 8.689 9.012 -0.323 25871 6084 1 9 . 1 1 842 842 TYR N N 842 112.231 112.231 113.755 -1.524 25871 6085 1 9 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.828 0.185 25871 6086 1 9 . 1 1 842 842 TYR CA C 842 55.133 55.133 56.782 -1.649 25871 6087 1 9 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.944 0.684 25871 6088 1 9 . 1 1 842 842 TYR H H 842 6.638 6.638 7.236 -0.598 25871 6089 1 9 . 1 1 843 843 ILE N N 843 115.455 115.455 117.837 -2.382 25871 6090 1 9 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.156 0.644 25871 6091 1 9 . 1 1 843 843 ILE CA C 843 59.462 59.462 59.116 0.346 25871 6092 1 9 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.608 0.861 25871 6093 1 9 . 1 1 843 843 ILE H H 843 8.626 8.626 8.926 -0.300 25871 6094 1 9 . 1 1 844 844 THR N N 844 117.140 117.140 116.646 0.494 25871 6095 1 9 . 1 1 844 844 THR HA H 844 5.393 5.393 5.134 0.259 25871 6096 1 9 . 1 1 844 844 THR CA C 844 60.380 60.380 60.137 0.243 25871 6097 1 9 . 1 1 844 844 THR CB C 844 71.475 71.475 70.963 0.512 25871 6098 1 9 . 1 1 844 844 THR H H 844 9.329 9.329 7.932 1.397 25871 6099 1 9 . 1 1 845 845 MET N N 845 119.879 119.879 119.398 0.481 25871 6100 1 9 . 1 1 845 845 MET HA H 845 3.852 3.852 4.007 -0.155 25871 6101 1 9 . 1 1 845 845 MET CA C 845 60.389 60.389 60.584 -0.195 25871 6102 1 9 . 1 1 845 845 MET CB C 845 33.110 33.110 32.306 0.804 25871 6103 1 9 . 1 1 845 845 MET H H 845 8.555 8.555 8.774 -0.219 25871 6104 1 9 . 1 1 846 846 ASP N N 846 116.360 116.360 118.751 -2.391 25871 6105 1 9 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.353 -0.043 25871 6106 1 9 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.503 -0.014 25871 6107 1 9 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.246 0.426 25871 6108 1 9 . 1 1 846 846 ASP H H 846 8.375 8.375 8.502 -0.127 25871 6109 1 9 . 1 1 847 847 GLU N N 847 120.575 120.575 119.215 1.360 25871 6110 1 9 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.115 -0.229 25871 6111 1 9 . 1 1 847 847 GLU CA C 847 59.754 59.754 58.939 0.815 25871 6112 1 9 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.713 0.044 25871 6113 1 9 . 1 1 847 847 GLU H H 847 7.852 7.852 7.774 0.078 25871 6114 1 9 . 1 1 848 848 LEU N N 848 118.753 118.753 118.031 0.722 25871 6115 1 9 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.279 -0.419 25871 6116 1 9 . 1 1 848 848 LEU CA C 848 58.683 58.683 57.947 0.736 25871 6117 1 9 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.587 0.937 25871 6118 1 9 . 1 1 848 848 LEU H H 848 7.834 7.834 7.997 -0.163 25871 6119 1 9 . 1 1 849 849 ARG N N 849 113.976 113.976 118.749 -4.773 25871 6120 1 9 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.305 -0.345 25871 6121 1 9 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.238 0.358 25871 6122 1 9 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.233 -0.088 25871 6123 1 9 . 1 1 849 849 ARG H H 849 8.055 8.055 8.378 -0.323 25871 6124 1 9 . 1 1 850 850 ARG N N 850 118.184 118.184 118.241 -0.057 25871 6125 1 9 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.211 0.020 25871 6126 1 9 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.529 -0.150 25871 6127 1 9 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.790 1.323 25871 6128 1 9 . 1 1 850 850 ARG H H 850 7.739 7.739 7.623 0.116 25871 6129 1 9 . 1 1 851 851 GLU N N 851 115.550 115.550 118.501 -2.951 25871 6130 1 9 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.328 0.052 25871 6131 1 9 . 1 1 851 851 GLU CA C 851 56.994 56.994 57.709 -0.715 25871 6132 1 9 . 1 1 851 851 GLU CB C 851 31.685 31.685 31.139 0.546 25871 6133 1 9 . 1 1 851 851 GLU H H 851 7.591 7.591 7.617 -0.026 25871 6134 1 9 . 1 1 852 852 LEU N N 852 119.170 119.170 120.374 -1.204 25871 6135 1 9 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.849 0.077 25871 6136 1 9 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.308 -0.017 25871 6137 1 9 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.452 1.186 25871 6138 1 9 . 1 1 852 852 LEU H H 852 7.891 7.891 7.677 0.214 25871 6139 1 9 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.468 -0.163 25871 6140 1 9 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.607 3.795 25871 6141 1 9 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.114 0.210 25871 6142 1 9 . 1 1 855 855 ASP N N 855 114.853 114.853 118.207 -3.354 25871 6143 1 9 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.325 0.054 25871 6144 1 9 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.435 -0.377 25871 6145 1 9 . 1 1 855 855 ASP CB C 855 39.239 39.239 39.977 -0.738 25871 6146 1 9 . 1 1 855 855 ASP H H 855 8.796 8.796 8.608 0.188 25871 6147 1 9 . 1 1 856 856 GLN N N 856 121.513 121.513 118.835 2.678 25871 6148 1 9 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.948 0.292 25871 6149 1 9 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.538 -0.154 25871 6150 1 9 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.826 1.517 25871 6151 1 9 . 1 1 856 856 GLN H H 856 7.471 7.471 8.393 -0.922 25871 6152 1 9 . 1 1 857 857 ALA N N 857 122.821 122.821 121.711 1.110 25871 6153 1 9 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.044 -0.214 25871 6154 1 9 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.294 1.111 25871 6155 1 9 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.095 -0.111 25871 6156 1 9 . 1 1 857 857 ALA H H 857 8.889 8.889 8.104 0.785 25871 6157 1 9 . 1 1 858 858 GLU N N 858 114.091 114.091 119.143 -5.052 25871 6158 1 9 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.015 0.041 25871 6159 1 9 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.587 -0.805 25871 6160 1 9 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.732 -1.065 25871 6161 1 9 . 1 1 858 858 GLU H H 858 8.143 8.143 8.185 -0.042 25871 6162 1 9 . 1 1 859 859 TYR N N 859 120.670 120.670 118.994 1.676 25871 6163 1 9 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.267 -0.140 25871 6164 1 9 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.081 0.067 25871 6165 1 9 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.974 0.764 25871 6166 1 9 . 1 1 859 859 TYR H H 859 7.708 7.708 8.761 -1.053 25871 6167 1 9 . 1 1 860 860 CYS N N 860 115.848 115.848 118.838 -2.990 25871 6168 1 9 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.035 0.153 25871 6169 1 9 . 1 1 860 860 CYS CA C 860 64.438 64.438 63.974 0.464 25871 6170 1 9 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.441 0.024 25871 6171 1 9 . 1 1 860 860 CYS H H 860 8.119 8.119 7.941 0.178 25871 6172 1 9 . 1 1 861 861 ILE N N 861 120.124 120.124 120.773 -0.649 25871 6173 1 9 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.554 -0.190 25871 6174 1 9 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.639 0.092 25871 6175 1 9 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.741 0.981 25871 6176 1 9 . 1 1 861 861 ILE H H 861 8.451 8.451 8.351 0.100 25871 6177 1 9 . 1 1 862 862 ALA N N 862 116.691 116.691 119.574 -2.883 25871 6178 1 9 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.082 0.168 25871 6179 1 9 . 1 1 862 862 ALA CA C 862 53.428 53.428 53.947 -0.518 25871 6180 1 9 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.438 0.637 25871 6181 1 9 . 1 1 862 862 ALA H H 862 7.304 7.304 8.005 -0.701 25871 6182 1 9 . 1 1 863 863 ARG N N 863 117.259 117.259 116.149 1.110 25871 6183 1 9 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.213 0.079 25871 6184 1 9 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.538 0.901 25871 6185 1 9 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.437 0.021 25871 6186 1 9 . 1 1 863 863 ARG H H 863 7.357 7.357 7.393 -0.036 25871 6187 1 9 . 1 1 864 864 MET N N 864 117.570 117.570 119.183 -1.613 25871 6188 1 9 . 1 1 864 864 MET HA H 864 4.598 4.598 4.121 0.477 25871 6189 1 9 . 1 1 864 864 MET CA C 864 55.180 55.180 56.427 -1.247 25871 6190 1 9 . 1 1 864 864 MET CB C 864 37.428 37.428 33.953 3.475 25871 6191 1 9 . 1 1 864 864 MET H H 864 7.147 7.147 7.845 -0.698 25871 6192 1 9 . 1 1 865 865 ALA N N 865 124.616 124.616 125.480 -0.864 25871 6193 1 9 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.870 -0.937 25871 6194 1 9 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.642 -0.362 25871 6195 1 9 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.468 0.180 25871 6196 1 9 . 1 1 865 865 ALA H H 865 8.548 8.548 8.476 0.072 25871 6197 1 9 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.521 -0.002 25871 6198 1 9 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.524 0.297 25871 6199 1 9 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.447 -0.456 25871 6200 1 9 . 1 1 867 867 TYR N N 867 122.454 122.454 122.755 -0.301 25871 6201 1 9 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.687 -0.532 25871 6202 1 9 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.824 -0.873 25871 6203 1 9 . 1 1 867 867 TYR CB C 867 43.347 43.347 40.963 2.384 25871 6204 1 9 . 1 1 867 867 TYR H H 867 8.127 8.127 8.123 0.004 25871 6205 1 9 . 1 1 869 869 GLY N N 869 105.881 105.881 110.133 -4.252 25871 6206 1 9 . 1 1 869 869 GLY CA C 869 45.090 45.090 42.368 2.722 25871 6207 1 9 . 1 1 869 869 GLY H H 869 5.440 5.440 6.717 -1.277 25871 6208 1 9 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.382 -0.021 25871 6209 1 9 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.471 0.370 25871 6210 1 9 . 1 1 870 870 PRO CB C 870 31.630 31.630 32.064 -0.434 25871 6211 1 9 . 1 1 871 871 ASP N N 871 116.217 116.217 119.580 -3.363 25871 6212 1 9 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.831 -0.195 25871 6213 1 9 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.654 -0.704 25871 6214 1 9 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.653 -1.503 25871 6215 1 9 . 1 1 871 871 ASP H H 871 9.263 9.263 7.967 1.296 25871 6216 1 9 . 1 1 872 872 SER N N 872 112.352 112.352 115.234 -2.882 25871 6217 1 9 . 1 1 872 872 SER HA H 872 3.530 3.530 4.407 -0.877 25871 6218 1 9 . 1 1 872 872 SER CA C 872 59.184 59.184 58.681 0.503 25871 6219 1 9 . 1 1 872 872 SER CB C 872 63.286 63.286 64.556 -1.270 25871 6220 1 9 . 1 1 872 872 SER H H 872 7.487 7.487 7.664 -0.177 25871 6221 1 9 . 1 1 873 873 VAL N N 873 113.588 113.588 115.097 -1.509 25871 6222 1 9 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.647 0.106 25871 6223 1 9 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.061 0.007 25871 6224 1 9 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.243 -0.326 25871 6225 1 9 . 1 1 873 873 VAL H H 873 6.411 6.411 7.674 -1.263 25871 6226 1 9 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.305 0.025 25871 6227 1 9 . 1 1 874 874 PRO CA C 874 64.310 64.310 65.126 -0.816 25871 6228 1 9 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.666 -0.043 25871 6229 1 9 . 1 1 875 875 GLY N N 875 112.109 112.109 105.768 6.341 25871 6230 1 9 . 1 1 875 875 GLY CA C 875 45.492 45.492 43.788 1.704 25871 6231 1 9 . 1 1 875 875 GLY H H 875 8.798 8.798 8.172 0.626 25871 6232 1 9 . 1 1 876 876 ALA N N 876 120.267 120.267 124.158 -3.891 25871 6233 1 9 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.275 -1.138 25871 6234 1 9 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.940 2.324 25871 6235 1 9 . 1 1 876 876 ALA CB C 876 20.554 20.554 20.942 -0.388 25871 6236 1 9 . 1 1 876 876 ALA H H 876 7.762 7.762 7.726 0.036 25871 6237 1 9 . 1 1 877 877 LEU N N 877 125.696 125.696 122.761 2.935 25871 6238 1 9 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.036 -0.232 25871 6239 1 9 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.930 0.362 25871 6240 1 9 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.538 -1.697 25871 6241 1 9 . 1 1 877 877 LEU H H 877 9.598 9.598 9.317 0.281 25871 6242 1 9 . 1 1 878 878 ASP N N 878 119.836 119.836 122.929 -3.093 25871 6243 1 9 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.064 -0.145 25871 6244 1 9 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.912 -0.782 25871 6245 1 9 . 1 1 878 878 ASP CB C 878 40.798 40.798 41.939 -1.141 25871 6246 1 9 . 1 1 878 878 ASP H H 878 9.028 9.028 8.667 0.361 25871 6247 1 9 . 1 1 879 879 TYR N N 879 126.600 126.600 124.686 1.914 25871 6248 1 9 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.197 0.421 25871 6249 1 9 . 1 1 879 879 TYR CA C 879 59.557 59.557 60.089 -0.532 25871 6250 1 9 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.251 -0.727 25871 6251 1 9 . 1 1 879 879 TYR H H 879 7.454 7.454 8.012 -0.558 25871 6252 1 9 . 1 1 880 880 MET N N 880 119.910 119.910 118.184 1.726 25871 6253 1 9 . 1 1 880 880 MET HA H 880 4.619 4.619 3.678 0.941 25871 6254 1 9 . 1 1 880 880 MET CA C 880 56.205 56.205 58.042 -1.837 25871 6255 1 9 . 1 1 880 880 MET CB C 880 32.338 32.338 32.219 0.119 25871 6256 1 9 . 1 1 880 880 MET H H 880 7.620 7.620 7.435 0.185 25871 6257 1 9 . 1 1 881 881 SER N N 881 114.353 114.353 114.041 0.312 25871 6258 1 9 . 1 1 881 881 SER HA H 881 4.501 4.501 4.377 0.124 25871 6259 1 9 . 1 1 881 881 SER CA C 881 58.957 58.957 59.772 -0.814 25871 6260 1 9 . 1 1 881 881 SER CB C 881 64.284 64.284 62.795 1.489 25871 6261 1 9 . 1 1 881 881 SER H H 881 7.721 7.721 8.066 -0.345 25871 6262 1 9 . 1 1 882 882 PHE N N 882 122.746 122.746 124.333 -1.587 25871 6263 1 9 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.682 0.067 25871 6264 1 9 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.084 -0.633 25871 6265 1 9 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.669 1.627 25871 6266 1 9 . 1 1 882 882 PHE H H 882 7.386 7.386 7.865 -0.479 25871 6267 1 9 . 1 1 883 883 SER N N 883 120.214 120.214 114.520 5.694 25871 6268 1 9 . 1 1 883 883 SER HA H 883 4.338 4.338 3.910 0.428 25871 6269 1 9 . 1 1 883 883 SER CA C 883 57.455 57.455 60.937 -3.482 25871 6270 1 9 . 1 1 883 883 SER CB C 883 64.684 64.684 62.859 1.825 25871 6271 1 9 . 1 1 883 883 SER H H 883 7.464 7.464 8.381 -0.917 25871 6272 1 9 . 1 1 884 884 THR N N 884 110.671 110.671 109.704 0.967 25871 6273 1 9 . 1 1 884 884 THR HA H 884 4.008 4.008 4.413 -0.405 25871 6274 1 9 . 1 1 884 884 THR CA C 884 63.367 63.367 61.631 1.736 25871 6275 1 9 . 1 1 884 884 THR CB C 884 69.088 69.088 70.152 -1.064 25871 6276 1 9 . 1 1 884 884 THR H H 884 7.993 7.993 7.862 0.131 25871 6277 1 9 . 1 1 885 885 ALA N N 885 125.453 125.453 124.286 1.167 25871 6278 1 9 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.639 -0.369 25871 6279 1 9 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.047 0.113 25871 6280 1 9 . 1 1 885 885 ALA CB C 885 19.310 19.310 20.923 -1.613 25871 6281 1 9 . 1 1 885 885 ALA H H 885 7.905 7.905 7.415 0.490 25871 6282 1 9 . 1 1 886 886 LEU N N 886 120.791 120.791 118.531 2.260 25871 6283 1 9 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.651 -1.604 25871 6284 1 9 . 1 1 886 886 LEU CA C 886 55.496 55.496 53.857 1.639 25871 6285 1 9 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.215 -2.876 25871 6286 1 9 . 1 1 886 886 LEU H H 886 8.087 8.087 8.339 -0.252 25871 6287 1 9 . 1 1 887 887 TYR N N 887 121.620 121.620 118.521 3.099 25871 6288 1 9 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.892 -0.489 25871 6289 1 9 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.081 1.713 25871 6290 1 9 . 1 1 887 887 TYR CB C 887 38.621 38.621 38.927 -0.306 25871 6291 1 9 . 1 1 887 887 TYR H H 887 8.272 8.272 8.210 0.062 25871 6292 1 9 . 1 1 888 888 GLY N N 888 112.443 112.443 107.905 4.538 25871 6293 1 9 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.473 0.722 25871 6294 1 9 . 1 1 888 888 GLY H H 888 8.087 8.087 8.182 -0.095 25871 6295 1 9 . 1 1 889 889 GLU N N 889 120.272 120.272 119.484 0.788 25871 6296 1 9 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.392 -0.097 25871 6297 1 9 . 1 1 889 889 GLU CA C 889 56.593 56.593 56.371 0.222 25871 6298 1 9 . 1 1 889 889 GLU CB C 889 30.601 30.601 30.481 0.120 25871 6299 1 9 . 1 1 889 889 GLU H H 889 7.991 7.991 7.904 0.087 25871 6300 1 9 . 1 1 890 890 SER N N 890 116.330 116.330 117.185 -0.855 25871 6301 1 9 . 1 1 890 890 SER HA H 890 4.452 4.452 4.582 -0.130 25871 6302 1 9 . 1 1 890 890 SER CA C 890 58.334 58.334 57.470 0.864 25871 6303 1 9 . 1 1 890 890 SER CB C 890 64.174 64.174 65.294 -1.120 25871 6304 1 9 . 1 1 890 890 SER H H 890 8.325 8.325 8.238 0.087 25871 6305 1 9 . 1 1 891 891 ASP N N 891 122.987 122.987 120.596 2.391 25871 6306 1 9 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.481 0.171 25871 6307 1 9 . 1 1 891 891 ASP CA C 891 54.534 54.534 55.229 -0.695 25871 6308 1 9 . 1 1 891 891 ASP CB C 891 40.981 40.981 39.242 1.739 25871 6309 1 9 . 1 1 891 891 ASP H H 891 8.387 8.387 8.571 -0.184 25871 6310 1 10 . 1 1 743 743 ILE N N 743 122.085 122.085 124.952 -2.867 25871 6311 1 10 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.232 0.124 25871 6312 1 10 . 1 1 743 743 ILE CA C 743 60.624 60.624 61.718 -1.094 25871 6313 1 10 . 1 1 743 743 ILE CB C 743 39.023 39.023 37.675 1.348 25871 6314 1 10 . 1 1 743 743 ILE H H 743 8.122 8.122 7.467 0.655 25871 6315 1 10 . 1 1 744 744 SER N N 744 123.378 123.378 124.070 -0.692 25871 6316 1 10 . 1 1 744 744 SER HA H 744 4.472 4.472 4.648 -0.176 25871 6317 1 10 . 1 1 744 744 SER CA C 744 57.581 57.581 56.955 0.626 25871 6318 1 10 . 1 1 744 744 SER CB C 744 65.276 65.276 64.612 0.664 25871 6319 1 10 . 1 1 744 744 SER H H 744 8.844 8.844 8.460 0.384 25871 6320 1 10 . 1 1 745 745 GLN N N 745 121.612 121.612 120.886 0.726 25871 6321 1 10 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.139 -0.161 25871 6322 1 10 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.116 -0.229 25871 6323 1 10 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.601 -0.075 25871 6324 1 10 . 1 1 745 745 GLN H H 745 9.035 9.035 8.837 0.198 25871 6325 1 10 . 1 1 746 746 GLU N N 746 118.618 118.618 117.222 1.396 25871 6326 1 10 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.126 -0.092 25871 6327 1 10 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.830 1.467 25871 6328 1 10 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.715 0.229 25871 6329 1 10 . 1 1 746 746 GLU H H 746 8.718 8.718 8.832 -0.114 25871 6330 1 10 . 1 1 747 747 GLN N N 747 120.436 120.436 119.868 0.568 25871 6331 1 10 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.343 -0.519 25871 6332 1 10 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.660 -0.156 25871 6333 1 10 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.350 -0.395 25871 6334 1 10 . 1 1 747 747 GLN H H 747 7.821 7.821 7.648 0.173 25871 6335 1 10 . 1 1 748 748 MET N N 748 119.174 119.174 117.647 1.527 25871 6336 1 10 . 1 1 748 748 MET HA H 748 4.228 4.228 4.512 -0.284 25871 6337 1 10 . 1 1 748 748 MET CA C 748 58.305 58.305 59.265 -0.960 25871 6338 1 10 . 1 1 748 748 MET CB C 748 30.922 30.922 32.212 -1.290 25871 6339 1 10 . 1 1 748 748 MET H H 748 8.477 8.477 8.091 0.386 25871 6340 1 10 . 1 1 749 749 ASN N N 749 117.610 117.610 119.563 -1.953 25871 6341 1 10 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.451 0.054 25871 6342 1 10 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.809 -0.847 25871 6343 1 10 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.437 -0.532 25871 6344 1 10 . 1 1 749 749 ASN H H 749 8.302 8.302 8.000 0.302 25871 6345 1 10 . 1 1 750 750 GLU N N 750 122.737 122.737 120.230 2.507 25871 6346 1 10 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.085 0.161 25871 6347 1 10 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.669 0.857 25871 6348 1 10 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.050 0.358 25871 6349 1 10 . 1 1 750 750 GLU H H 750 7.789 7.789 7.880 -0.091 25871 6350 1 10 . 1 1 751 751 PHE N N 751 120.358 120.358 121.786 -1.428 25871 6351 1 10 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.307 0.671 25871 6352 1 10 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.437 -3.793 25871 6353 1 10 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.929 -1.451 25871 6354 1 10 . 1 1 751 751 PHE H H 751 8.772 8.772 8.530 0.242 25871 6355 1 10 . 1 1 752 752 ARG N N 752 120.173 120.173 119.288 0.885 25871 6356 1 10 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.281 -0.134 25871 6357 1 10 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.850 -3.049 25871 6358 1 10 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.128 0.234 25871 6359 1 10 . 1 1 752 752 ARG H H 752 8.990 8.990 8.592 0.398 25871 6360 1 10 . 1 1 753 753 ALA N N 753 120.965 120.965 121.987 -1.022 25871 6361 1 10 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.243 0.012 25871 6362 1 10 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.105 0.320 25871 6363 1 10 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.258 -0.246 25871 6364 1 10 . 1 1 753 753 ALA H H 753 8.136 8.136 8.459 -0.323 25871 6365 1 10 . 1 1 754 754 SER N N 754 115.350 115.350 115.825 -0.475 25871 6366 1 10 . 1 1 754 754 SER HA H 754 4.451 4.451 4.305 0.146 25871 6367 1 10 . 1 1 754 754 SER CA C 754 63.045 63.045 62.795 0.250 25871 6368 1 10 . 1 1 754 754 SER CB C 754 63.111 63.111 63.189 -0.078 25871 6369 1 10 . 1 1 754 754 SER H H 754 8.366 8.366 8.513 -0.147 25871 6370 1 10 . 1 1 755 755 PHE N N 755 121.902 121.902 122.778 -0.876 25871 6371 1 10 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.288 -0.302 25871 6372 1 10 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.332 2.021 25871 6373 1 10 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.158 1.007 25871 6374 1 10 . 1 1 755 755 PHE H H 755 8.498 8.498 8.250 0.248 25871 6375 1 10 . 1 1 756 756 ASN N N 756 114.071 114.071 117.721 -3.650 25871 6376 1 10 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.768 0.762 25871 6377 1 10 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.273 0.531 25871 6378 1 10 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.533 -0.600 25871 6379 1 10 . 1 1 756 756 ASN H H 756 8.722 8.722 8.047 0.675 25871 6380 1 10 . 1 1 757 757 HIS N N 757 119.524 119.524 119.207 0.317 25871 6381 1 10 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.299 -0.177 25871 6382 1 10 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.449 0.021 25871 6383 1 10 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.096 -0.049 25871 6384 1 10 . 1 1 757 757 HIS H H 757 8.027 8.027 8.008 0.019 25871 6385 1 10 . 1 1 758 758 PHE N N 758 113.439 113.439 114.846 -1.407 25871 6386 1 10 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.439 -0.332 25871 6387 1 10 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.561 0.507 25871 6388 1 10 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.810 0.178 25871 6389 1 10 . 1 1 758 758 PHE H H 758 7.322 7.322 8.058 -0.736 25871 6390 1 10 . 1 1 759 759 ASP N N 759 121.632 121.632 119.611 2.021 25871 6391 1 10 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.742 -0.126 25871 6392 1 10 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.470 0.138 25871 6393 1 10 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.027 -0.346 25871 6394 1 10 . 1 1 759 759 ASP H H 759 7.439 7.439 8.461 -1.022 25871 6395 1 10 . 1 1 760 760 ARG N N 760 123.429 123.429 122.196 1.233 25871 6396 1 10 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.837 -0.012 25871 6397 1 10 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.163 1.468 25871 6398 1 10 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.100 -0.027 25871 6399 1 10 . 1 1 760 760 ARG H H 760 7.797 7.797 7.710 0.087 25871 6400 1 10 . 1 1 761 761 ASP N N 761 115.027 115.027 117.598 -2.571 25871 6401 1 10 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.543 -0.062 25871 6402 1 10 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.713 -1.235 25871 6403 1 10 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.243 -1.744 25871 6404 1 10 . 1 1 761 761 ASP H H 761 8.470 8.470 7.670 0.800 25871 6405 1 10 . 1 1 762 762 HIS N N 762 117.442 117.442 116.097 1.345 25871 6406 1 10 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.364 -0.127 25871 6407 1 10 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.728 -0.235 25871 6408 1 10 . 1 1 762 762 HIS CB C 762 26.581 26.581 26.816 -0.235 25871 6409 1 10 . 1 1 762 762 HIS H H 762 7.716 7.716 7.559 0.157 25871 6410 1 10 . 1 1 763 763 SER N N 763 117.624 117.624 115.344 2.280 25871 6411 1 10 . 1 1 763 763 SER HA H 763 4.441 4.441 4.296 0.145 25871 6412 1 10 . 1 1 763 763 SER CA C 763 59.706 59.706 59.541 0.165 25871 6413 1 10 . 1 1 763 763 SER CB C 763 65.228 65.228 64.319 0.909 25871 6414 1 10 . 1 1 763 763 SER H H 763 9.708 9.708 8.433 1.275 25871 6415 1 10 . 1 1 764 764 GLY N N 764 117.320 117.320 108.969 8.351 25871 6416 1 10 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.650 0.109 25871 6417 1 10 . 1 1 764 764 GLY H H 764 11.185 11.185 9.421 1.764 25871 6418 1 10 . 1 1 765 765 THR N N 765 110.392 110.392 110.828 -0.436 25871 6419 1 10 . 1 1 765 765 THR HA H 765 5.197 5.197 5.196 0.001 25871 6420 1 10 . 1 1 765 765 THR CA C 765 59.125 59.125 60.537 -1.412 25871 6421 1 10 . 1 1 765 765 THR CB C 765 73.022 73.022 72.052 0.970 25871 6422 1 10 . 1 1 765 765 THR H H 765 7.972 7.972 7.418 0.554 25871 6423 1 10 . 1 1 766 766 LEU N N 766 117.658 117.658 119.654 -1.996 25871 6424 1 10 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.714 0.110 25871 6425 1 10 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.211 -0.459 25871 6426 1 10 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.685 -1.472 25871 6427 1 10 . 1 1 766 766 LEU H H 766 8.589 8.589 8.561 0.028 25871 6428 1 10 . 1 1 767 767 GLY N N 767 108.644 108.644 107.345 1.299 25871 6429 1 10 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.575 0.361 25871 6430 1 10 . 1 1 767 767 GLY H H 767 8.601 8.601 9.336 -0.735 25871 6431 1 10 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.430 -0.149 25871 6432 1 10 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.309 1.564 25871 6433 1 10 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.152 0.039 25871 6434 1 10 . 1 1 769 769 GLU N N 769 115.170 115.170 120.255 -5.085 25871 6435 1 10 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.865 0.067 25871 6436 1 10 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.460 0.313 25871 6437 1 10 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.214 -0.386 25871 6438 1 10 . 1 1 769 769 GLU H H 769 8.649 8.649 8.860 -0.211 25871 6439 1 10 . 1 1 770 770 GLU N N 770 121.294 121.294 120.856 0.438 25871 6440 1 10 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.218 -0.105 25871 6441 1 10 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.416 0.202 25871 6442 1 10 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.600 0.703 25871 6443 1 10 . 1 1 770 770 GLU H H 770 7.846 7.846 8.105 -0.259 25871 6444 1 10 . 1 1 771 771 PHE N N 771 119.292 119.292 118.401 0.891 25871 6445 1 10 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.103 0.139 25871 6446 1 10 . 1 1 771 771 PHE CA C 771 59.104 59.104 60.251 -1.147 25871 6447 1 10 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.855 -0.129 25871 6448 1 10 . 1 1 771 771 PHE H H 771 8.876 8.876 8.458 0.418 25871 6449 1 10 . 1 1 772 772 LYS N N 772 120.139 120.139 120.225 -0.086 25871 6450 1 10 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.945 -0.769 25871 6451 1 10 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.464 1.021 25871 6452 1 10 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.246 -0.562 25871 6453 1 10 . 1 1 772 772 LYS H H 772 8.404 8.404 7.622 0.782 25871 6454 1 10 . 1 1 773 773 ALA N N 773 118.856 118.856 121.697 -2.841 25871 6455 1 10 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.150 -0.358 25871 6456 1 10 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.418 0.549 25871 6457 1 10 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.346 -0.400 25871 6458 1 10 . 1 1 773 773 ALA H H 773 7.180 7.180 7.984 -0.804 25871 6459 1 10 . 1 1 774 774 CYS N N 774 121.600 121.600 117.481 4.119 25871 6460 1 10 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.979 0.207 25871 6461 1 10 . 1 1 774 774 CYS CA C 774 61.579 61.579 62.038 -0.459 25871 6462 1 10 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.688 -0.657 25871 6463 1 10 . 1 1 774 774 CYS H H 774 7.731 7.731 7.568 0.163 25871 6464 1 10 . 1 1 775 775 LEU N N 775 120.029 120.029 120.051 -0.022 25871 6465 1 10 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.529 0.310 25871 6466 1 10 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.503 0.846 25871 6467 1 10 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.394 -0.866 25871 6468 1 10 . 1 1 775 775 LEU H H 775 8.353 8.353 7.110 1.243 25871 6469 1 10 . 1 1 776 776 ILE N N 776 121.900 121.900 118.275 3.625 25871 6470 1 10 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.081 0.148 25871 6471 1 10 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.423 1.100 25871 6472 1 10 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.582 0.679 25871 6473 1 10 . 1 1 776 776 ILE H H 776 8.405 8.405 7.385 1.020 25871 6474 1 10 . 1 1 777 777 SER N N 777 119.490 119.490 114.639 4.851 25871 6475 1 10 . 1 1 777 777 SER HA H 777 4.435 4.435 4.289 0.146 25871 6476 1 10 . 1 1 777 777 SER CA C 777 61.843 61.843 60.931 0.912 25871 6477 1 10 . 1 1 777 777 SER CB C 777 62.953 62.953 63.009 -0.056 25871 6478 1 10 . 1 1 777 777 SER H H 777 8.144 8.144 7.434 0.710 25871 6479 1 10 . 1 1 778 778 LEU N N 778 122.142 122.142 118.652 3.490 25871 6480 1 10 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.502 0.140 25871 6481 1 10 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.473 -0.396 25871 6482 1 10 . 1 1 778 778 LEU CB C 778 42.620 42.620 43.094 -0.474 25871 6483 1 10 . 1 1 778 778 LEU H H 778 7.644 7.644 7.707 -0.063 25871 6484 1 10 . 1 1 779 779 GLY N N 779 106.613 106.613 105.145 1.468 25871 6485 1 10 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.517 0.633 25871 6486 1 10 . 1 1 779 779 GLY H H 779 7.982 7.982 7.491 0.491 25871 6487 1 10 . 1 1 780 780 TYR N N 780 121.620 121.620 120.590 1.030 25871 6488 1 10 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.518 -0.353 25871 6489 1 10 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.191 2.182 25871 6490 1 10 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.504 -1.110 25871 6491 1 10 . 1 1 780 780 TYR H H 780 8.174 8.174 7.820 0.354 25871 6492 1 10 . 1 1 781 781 ASP N N 781 124.225 124.225 121.674 2.551 25871 6493 1 10 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.643 0.046 25871 6494 1 10 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.821 -0.256 25871 6495 1 10 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.803 0.312 25871 6496 1 10 . 1 1 781 781 ASP H H 781 8.650 8.650 8.809 -0.159 25871 6497 1 10 . 1 1 782 782 ILE N N 782 123.492 123.492 121.250 2.242 25871 6498 1 10 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.276 -0.027 25871 6499 1 10 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.805 -1.315 25871 6500 1 10 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.893 0.532 25871 6501 1 10 . 1 1 782 782 ILE H H 782 7.300 7.300 7.920 -0.620 25871 6502 1 10 . 1 1 783 783 GLY N N 783 113.404 113.404 115.511 -2.107 25871 6503 1 10 . 1 1 783 783 GLY CA C 783 44.630 44.630 45.416 -0.786 25871 6504 1 10 . 1 1 783 783 GLY H H 783 8.345 8.345 8.665 -0.320 25871 6505 1 10 . 1 1 784 784 ASN N N 784 119.115 119.115 117.781 1.334 25871 6506 1 10 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.375 0.553 25871 6507 1 10 . 1 1 784 784 ASN CA C 784 52.055 52.055 54.246 -2.191 25871 6508 1 10 . 1 1 784 784 ASN CB C 784 37.467 37.467 38.108 -0.640 25871 6509 1 10 . 1 1 784 784 ASN H H 784 8.476 8.476 8.639 -0.163 25871 6510 1 10 . 1 1 785 785 ASP N N 785 119.675 119.675 117.474 2.201 25871 6511 1 10 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.967 -0.147 25871 6512 1 10 . 1 1 785 785 ASP CA C 785 52.365 52.365 51.967 0.398 25871 6513 1 10 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.822 -2.086 25871 6514 1 10 . 1 1 785 785 ASP H H 785 8.081 8.081 8.003 0.078 25871 6515 1 10 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.405 -0.099 25871 6516 1 10 . 1 1 786 786 PRO CA C 786 66.213 66.213 64.875 1.338 25871 6517 1 10 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.209 -0.229 25871 6518 1 10 . 1 1 787 787 GLN N N 787 118.154 118.154 117.829 0.325 25871 6519 1 10 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.318 -0.140 25871 6520 1 10 . 1 1 787 787 GLN CA C 787 59.433 59.433 57.909 1.524 25871 6521 1 10 . 1 1 787 787 GLN CB C 787 27.668 27.668 28.181 -0.513 25871 6522 1 10 . 1 1 787 787 GLN H H 787 8.413 8.413 8.611 -0.198 25871 6523 1 10 . 1 1 788 788 GLY N N 788 113.343 113.343 108.653 4.690 25871 6524 1 10 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.870 0.581 25871 6525 1 10 . 1 1 788 788 GLY H H 788 8.644 8.644 8.951 -0.307 25871 6526 1 10 . 1 1 789 789 GLU N N 789 121.232 121.232 121.954 -0.722 25871 6527 1 10 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.126 0.035 25871 6528 1 10 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.886 -0.453 25871 6529 1 10 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.510 0.131 25871 6530 1 10 . 1 1 789 789 GLU H H 789 8.539 8.539 8.050 0.489 25871 6531 1 10 . 1 1 790 790 ALA N N 790 122.805 122.805 120.455 2.350 25871 6532 1 10 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.150 0.123 25871 6533 1 10 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.255 -0.307 25871 6534 1 10 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.477 -0.576 25871 6535 1 10 . 1 1 790 790 ALA H H 790 8.035 8.035 7.708 0.327 25871 6536 1 10 . 1 1 791 791 GLU N N 791 122.504 122.504 118.060 4.444 25871 6537 1 10 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.276 0.473 25871 6538 1 10 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.452 1.015 25871 6539 1 10 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.914 -1.335 25871 6540 1 10 . 1 1 791 791 GLU H H 791 8.309 8.309 7.827 0.482 25871 6541 1 10 . 1 1 792 792 PHE N N 792 119.966 119.966 122.480 -2.514 25871 6542 1 10 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.276 -0.078 25871 6543 1 10 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.612 1.007 25871 6544 1 10 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.178 -0.713 25871 6545 1 10 . 1 1 792 792 PHE H H 792 8.835 8.835 8.681 0.154 25871 6546 1 10 . 1 1 793 793 ALA N N 793 119.978 119.978 122.200 -2.222 25871 6547 1 10 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.585 0.321 25871 6548 1 10 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.086 -0.066 25871 6549 1 10 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.200 -0.564 25871 6550 1 10 . 1 1 793 793 ALA H H 793 8.147 8.147 8.331 -0.184 25871 6551 1 10 . 1 1 794 794 ARG N N 794 121.286 121.286 116.803 4.483 25871 6552 1 10 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.047 -0.110 25871 6553 1 10 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.311 1.325 25871 6554 1 10 . 1 1 794 794 ARG CB C 794 30.257 30.257 30.084 0.173 25871 6555 1 10 . 1 1 794 794 ARG H H 794 7.953 7.953 7.197 0.756 25871 6556 1 10 . 1 1 795 795 ILE N N 795 121.594 121.594 121.060 0.534 25871 6557 1 10 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.434 -0.123 25871 6558 1 10 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.916 1.260 25871 6559 1 10 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.823 0.511 25871 6560 1 10 . 1 1 795 795 ILE H H 795 8.091 8.091 7.425 0.666 25871 6561 1 10 . 1 1 796 796 MET N N 796 118.593 118.593 117.131 1.462 25871 6562 1 10 . 1 1 796 796 MET HA H 796 4.266 4.266 4.032 0.234 25871 6563 1 10 . 1 1 796 796 MET CA C 796 56.204 56.204 59.053 -2.849 25871 6564 1 10 . 1 1 796 796 MET CB C 796 29.453 29.453 31.709 -2.256 25871 6565 1 10 . 1 1 796 796 MET H H 796 8.543 8.543 8.259 0.284 25871 6566 1 10 . 1 1 797 797 SER N N 797 114.792 114.792 114.776 0.016 25871 6567 1 10 . 1 1 797 797 SER HA H 797 4.131 4.131 4.243 -0.112 25871 6568 1 10 . 1 1 797 797 SER CA C 797 61.233 61.233 61.630 -0.397 25871 6569 1 10 . 1 1 797 797 SER CB C 797 63.017 63.017 62.950 0.067 25871 6570 1 10 . 1 1 797 797 SER H H 797 7.740 7.740 7.593 0.147 25871 6571 1 10 . 1 1 798 798 ILE N N 798 121.041 121.041 120.370 0.671 25871 6572 1 10 . 1 1 798 798 ILE HA H 798 3.869 3.869 3.995 -0.126 25871 6573 1 10 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.793 0.146 25871 6574 1 10 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.878 0.013 25871 6575 1 10 . 1 1 798 798 ILE H H 798 7.352 7.352 7.629 -0.277 25871 6576 1 10 . 1 1 799 799 VAL N N 799 110.418 110.418 111.647 -1.229 25871 6577 1 10 . 1 1 799 799 VAL HA H 799 4.211 4.211 3.994 0.217 25871 6578 1 10 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.675 -0.491 25871 6579 1 10 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.485 -0.075 25871 6580 1 10 . 1 1 799 799 VAL H H 799 7.806 7.806 7.832 -0.026 25871 6581 1 10 . 1 1 800 800 ASP N N 800 119.703 119.703 119.624 0.079 25871 6582 1 10 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.036 0.221 25871 6583 1 10 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.689 0.046 25871 6584 1 10 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.531 -0.197 25871 6585 1 10 . 1 1 800 800 ASP H H 800 8.124 8.124 7.567 0.557 25871 6586 1 10 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.636 -0.276 25871 6587 1 10 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.073 0.962 25871 6588 1 10 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.283 -0.386 25871 6589 1 10 . 1 1 802 802 ASN N N 802 115.156 115.156 116.221 -1.065 25871 6590 1 10 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.654 0.125 25871 6591 1 10 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.112 0.116 25871 6592 1 10 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.826 -0.612 25871 6593 1 10 . 1 1 802 802 ASN H H 802 8.967 8.967 7.929 1.038 25871 6594 1 10 . 1 1 803 803 ARG N N 803 117.568 117.568 115.771 1.797 25871 6595 1 10 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.147 -0.298 25871 6596 1 10 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.457 0.519 25871 6597 1 10 . 1 1 803 803 ARG CB C 803 26.440 26.440 26.804 -0.364 25871 6598 1 10 . 1 1 803 803 ARG H H 803 8.013 8.013 7.808 0.205 25871 6599 1 10 . 1 1 804 804 LEU N N 804 122.899 122.899 120.069 2.830 25871 6600 1 10 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.206 0.006 25871 6601 1 10 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.908 0.253 25871 6602 1 10 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.278 0.610 25871 6603 1 10 . 1 1 804 804 LEU H H 804 10.338 10.338 8.837 1.501 25871 6604 1 10 . 1 1 805 805 GLY N N 805 110.909 110.909 106.799 4.110 25871 6605 1 10 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.436 -0.155 25871 6606 1 10 . 1 1 805 805 GLY H H 805 10.955 10.955 9.076 1.879 25871 6607 1 10 . 1 1 806 806 VAL N N 806 111.683 111.683 114.104 -2.421 25871 6608 1 10 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.060 -0.477 25871 6609 1 10 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.972 -0.557 25871 6610 1 10 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.589 0.714 25871 6611 1 10 . 1 1 806 806 VAL H H 806 6.806 6.806 7.392 -0.586 25871 6612 1 10 . 1 1 807 807 VAL N N 807 123.649 123.649 120.008 3.641 25871 6613 1 10 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.459 -0.273 25871 6614 1 10 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.490 1.190 25871 6615 1 10 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.701 -2.798 25871 6616 1 10 . 1 1 807 807 VAL H H 807 9.156 9.156 8.847 0.309 25871 6617 1 10 . 1 1 808 808 THR N N 808 116.404 116.404 118.178 -1.774 25871 6618 1 10 . 1 1 808 808 THR HA H 808 4.782 4.782 4.878 -0.096 25871 6619 1 10 . 1 1 808 808 THR CA C 808 62.526 62.526 58.998 3.528 25871 6620 1 10 . 1 1 808 808 THR CB C 808 69.707 69.707 71.111 -1.404 25871 6621 1 10 . 1 1 808 808 THR H H 808 7.948 7.948 8.025 -0.077 25871 6622 1 10 . 1 1 809 809 PHE N N 809 121.514 121.514 123.380 -1.866 25871 6623 1 10 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.451 -0.949 25871 6624 1 10 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.352 -0.574 25871 6625 1 10 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.868 -0.433 25871 6626 1 10 . 1 1 809 809 PHE H H 809 8.528 8.528 8.274 0.254 25871 6627 1 10 . 1 1 810 810 GLN N N 810 116.869 116.869 118.269 -1.400 25871 6628 1 10 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.666 -0.045 25871 6629 1 10 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.868 0.680 25871 6630 1 10 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.947 0.450 25871 6631 1 10 . 1 1 810 810 GLN H H 810 8.638 8.638 8.323 0.315 25871 6632 1 10 . 1 1 811 811 ALA N N 811 121.318 121.318 122.768 -1.450 25871 6633 1 10 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.987 0.161 25871 6634 1 10 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.547 0.542 25871 6635 1 10 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.623 0.617 25871 6636 1 10 . 1 1 811 811 ALA H H 811 7.795 7.795 7.494 0.301 25871 6637 1 10 . 1 1 812 812 PHE N N 812 119.498 119.498 116.590 2.908 25871 6638 1 10 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.859 0.318 25871 6639 1 10 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.353 1.144 25871 6640 1 10 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.647 0.379 25871 6641 1 10 . 1 1 812 812 PHE H H 812 8.093 8.093 7.684 0.409 25871 6642 1 10 . 1 1 813 813 ILE N N 813 119.554 119.554 118.415 1.139 25871 6643 1 10 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.629 0.516 25871 6644 1 10 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.768 -0.592 25871 6645 1 10 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.809 -0.019 25871 6646 1 10 . 1 1 813 813 ILE H H 813 8.316 8.316 6.425 1.891 25871 6647 1 10 . 1 1 814 814 ASP N N 814 123.772 123.772 119.975 3.797 25871 6648 1 10 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.201 0.039 25871 6649 1 10 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.391 0.512 25871 6650 1 10 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.646 -0.404 25871 6651 1 10 . 1 1 814 814 ASP H H 814 8.434 8.434 7.248 1.186 25871 6652 1 10 . 1 1 815 815 PHE N N 815 121.079 121.079 116.138 4.941 25871 6653 1 10 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.549 -0.376 25871 6654 1 10 . 1 1 815 815 PHE CA C 815 61.125 61.125 59.055 2.070 25871 6655 1 10 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.361 0.931 25871 6656 1 10 . 1 1 815 815 PHE H H 815 7.904 7.904 7.019 0.885 25871 6657 1 10 . 1 1 816 816 MET N N 816 117.231 117.231 120.896 -3.665 25871 6658 1 10 . 1 1 816 816 MET HA H 816 3.864 3.864 4.305 -0.441 25871 6659 1 10 . 1 1 816 816 MET CA C 816 55.934 55.934 57.339 -1.405 25871 6660 1 10 . 1 1 816 816 MET CB C 816 30.451 30.451 31.328 -0.877 25871 6661 1 10 . 1 1 816 816 MET H H 816 8.270 8.270 7.288 0.982 25871 6662 1 10 . 1 1 817 817 SER N N 817 114.308 114.308 115.763 -1.455 25871 6663 1 10 . 1 1 817 817 SER HA H 817 4.209 4.209 4.073 0.136 25871 6664 1 10 . 1 1 817 817 SER CA C 817 60.410 60.410 60.964 -0.554 25871 6665 1 10 . 1 1 817 817 SER CB C 817 63.328 63.328 63.018 0.310 25871 6666 1 10 . 1 1 817 817 SER H H 817 8.100 8.100 7.746 0.354 25871 6667 1 10 . 1 1 818 818 ARG N N 818 121.459 121.459 119.229 2.230 25871 6668 1 10 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.219 -0.055 25871 6669 1 10 . 1 1 818 818 ARG CA C 818 57.468 57.468 58.491 -1.023 25871 6670 1 10 . 1 1 818 818 ARG CB C 818 30.385 30.385 29.896 0.489 25871 6671 1 10 . 1 1 818 818 ARG H H 818 7.329 7.329 7.861 -0.532 25871 6672 1 10 . 1 1 819 819 GLU N N 819 119.944 119.944 116.794 3.150 25871 6673 1 10 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.385 -0.221 25871 6674 1 10 . 1 1 819 819 GLU CA C 819 57.468 57.468 57.996 -0.528 25871 6675 1 10 . 1 1 819 819 GLU CB C 819 30.526 30.526 30.114 0.412 25871 6676 1 10 . 1 1 819 819 GLU H H 819 8.059 8.059 7.900 0.159 25871 6677 1 10 . 1 1 820 820 THR N N 820 112.658 112.658 113.934 -1.276 25871 6678 1 10 . 1 1 820 820 THR HA H 820 4.309 4.309 4.317 -0.008 25871 6679 1 10 . 1 1 820 820 THR CA C 820 62.191 62.191 63.730 -1.538 25871 6680 1 10 . 1 1 820 820 THR CB C 820 69.877 69.877 69.256 0.621 25871 6681 1 10 . 1 1 820 820 THR H H 820 7.789 7.789 7.496 0.293 25871 6682 1 10 . 1 1 821 821 ALA N N 821 126.145 126.145 123.290 2.855 25871 6683 1 10 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.268 0.064 25871 6684 1 10 . 1 1 821 821 ALA CA C 821 52.816 52.816 51.890 0.926 25871 6685 1 10 . 1 1 821 821 ALA CB C 821 19.459 19.459 17.477 1.982 25871 6686 1 10 . 1 1 821 821 ALA H H 821 8.003 8.003 7.321 0.682 25871 6687 1 10 . 1 1 822 822 ASP N N 822 120.003 120.003 121.483 -1.480 25871 6688 1 10 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.536 0.106 25871 6689 1 10 . 1 1 822 822 ASP CA C 822 54.439 54.439 55.211 -0.772 25871 6690 1 10 . 1 1 822 822 ASP CB C 822 40.866 40.866 41.195 -0.329 25871 6691 1 10 . 1 1 822 822 ASP H H 822 8.330 8.330 8.383 -0.053 25871 6692 1 10 . 1 1 823 823 THR N N 823 114.181 114.181 111.561 2.620 25871 6693 1 10 . 1 1 823 823 THR HA H 823 4.304 4.304 4.591 -0.287 25871 6694 1 10 . 1 1 823 823 THR CA C 823 62.284 62.284 60.142 2.142 25871 6695 1 10 . 1 1 823 823 THR CB C 823 69.738 69.738 71.522 -1.784 25871 6696 1 10 . 1 1 823 823 THR H H 823 8.093 8.093 7.293 0.800 25871 6697 1 10 . 1 1 824 824 ASP N N 824 123.285 123.285 118.692 4.593 25871 6698 1 10 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.785 -0.134 25871 6699 1 10 . 1 1 824 824 ASP CA C 824 54.595 54.595 53.214 1.381 25871 6700 1 10 . 1 1 824 824 ASP CB C 824 41.145 41.145 42.181 -1.036 25871 6701 1 10 . 1 1 824 824 ASP H H 824 8.426 8.426 8.407 0.019 25871 6702 1 10 . 1 1 825 825 THR N N 825 114.970 114.970 109.879 5.091 25871 6703 1 10 . 1 1 825 825 THR HA H 825 4.313 4.313 4.073 0.240 25871 6704 1 10 . 1 1 825 825 THR CA C 825 62.329 62.329 64.617 -2.288 25871 6705 1 10 . 1 1 825 825 THR CB C 825 69.541 69.541 68.763 0.778 25871 6706 1 10 . 1 1 825 825 THR H H 825 8.157 8.157 8.577 -0.420 25871 6707 1 10 . 1 1 826 826 ALA N N 826 124.991 124.991 122.825 2.166 25871 6708 1 10 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.506 -0.305 25871 6709 1 10 . 1 1 826 826 ALA CA C 826 54.473 54.473 53.657 0.816 25871 6710 1 10 . 1 1 826 826 ALA CB C 826 18.696 18.696 19.413 -0.717 25871 6711 1 10 . 1 1 826 826 ALA H H 826 8.374 8.374 8.167 0.207 25871 6712 1 10 . 1 1 827 827 ASP N N 827 117.795 117.795 119.459 -1.664 25871 6713 1 10 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.388 0.074 25871 6714 1 10 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.182 -1.031 25871 6715 1 10 . 1 1 827 827 ASP CB C 827 40.929 40.929 41.032 -0.103 25871 6716 1 10 . 1 1 827 827 ASP H H 827 8.255 8.255 8.507 -0.252 25871 6717 1 10 . 1 1 828 828 GLN N N 828 120.646 120.646 118.090 2.556 25871 6718 1 10 . 1 1 828 828 GLN HA H 828 4.121 4.121 4.001 0.120 25871 6719 1 10 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.798 -0.848 25871 6720 1 10 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.388 0.198 25871 6721 1 10 . 1 1 828 828 GLN H H 828 8.086 8.086 7.881 0.205 25871 6722 1 10 . 1 1 829 829 VAL N N 829 120.933 120.933 119.404 1.529 25871 6723 1 10 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.810 -0.259 25871 6724 1 10 . 1 1 829 829 VAL CA C 829 65.321 65.321 63.354 1.967 25871 6725 1 10 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.951 -0.201 25871 6726 1 10 . 1 1 829 829 VAL H H 829 8.048 8.048 7.360 0.688 25871 6727 1 10 . 1 1 830 830 MET N N 830 119.386 119.386 120.700 -1.314 25871 6728 1 10 . 1 1 830 830 MET HA H 830 4.030 4.030 4.469 -0.439 25871 6729 1 10 . 1 1 830 830 MET CA C 830 58.013 58.013 59.206 -1.193 25871 6730 1 10 . 1 1 830 830 MET CB C 830 32.110 32.110 32.655 -0.545 25871 6731 1 10 . 1 1 830 830 MET H H 830 8.088 8.088 8.467 -0.379 25871 6732 1 10 . 1 1 831 831 ALA N N 831 121.027 121.027 121.121 -0.094 25871 6733 1 10 . 1 1 831 831 ALA HA H 831 4.075 4.075 4.002 0.073 25871 6734 1 10 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.389 -0.770 25871 6735 1 10 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.147 -0.021 25871 6736 1 10 . 1 1 831 831 ALA H H 831 7.829 7.829 8.441 -0.612 25871 6737 1 10 . 1 1 832 832 SER N N 832 114.314 114.314 114.817 -0.503 25871 6738 1 10 . 1 1 832 832 SER HA H 832 4.181 4.181 4.136 0.045 25871 6739 1 10 . 1 1 832 832 SER CA C 832 61.039 61.039 60.923 0.116 25871 6740 1 10 . 1 1 832 832 SER CB C 832 62.671 62.671 62.945 -0.274 25871 6741 1 10 . 1 1 832 832 SER H H 832 7.711 7.711 7.248 0.463 25871 6742 1 10 . 1 1 833 833 PHE N N 833 121.898 121.898 120.665 1.233 25871 6743 1 10 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.119 0.111 25871 6744 1 10 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.525 -1.091 25871 6745 1 10 . 1 1 833 833 PHE CB C 833 38.249 38.249 38.227 0.022 25871 6746 1 10 . 1 1 833 833 PHE H H 833 7.717 7.717 7.361 0.356 25871 6747 1 10 . 1 1 834 834 LYS N N 834 118.752 118.752 119.921 -1.169 25871 6748 1 10 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.884 -0.262 25871 6749 1 10 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.532 -0.107 25871 6750 1 10 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.267 -0.083 25871 6751 1 10 . 1 1 834 834 LYS H H 834 7.844 7.844 8.416 -0.572 25871 6752 1 10 . 1 1 835 835 ILE N N 835 118.528 118.528 117.668 0.860 25871 6753 1 10 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.780 -0.010 25871 6754 1 10 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.245 -0.526 25871 6755 1 10 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.331 -0.425 25871 6756 1 10 . 1 1 835 835 ILE H H 835 7.311 7.311 7.359 -0.048 25871 6757 1 10 . 1 1 836 836 LEU N N 836 121.176 121.176 117.725 3.451 25871 6758 1 10 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.298 -0.308 25871 6759 1 10 . 1 1 836 836 LEU CA C 836 57.166 57.166 57.025 0.141 25871 6760 1 10 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.607 0.889 25871 6761 1 10 . 1 1 836 836 LEU H H 836 7.617 7.617 7.348 0.269 25871 6762 1 10 . 1 1 837 837 ALA N N 837 119.189 119.189 121.605 -2.416 25871 6763 1 10 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.197 -0.273 25871 6764 1 10 . 1 1 837 837 ALA CA C 837 53.417 53.417 53.328 0.089 25871 6765 1 10 . 1 1 837 837 ALA CB C 837 19.392 19.392 17.771 1.621 25871 6766 1 10 . 1 1 837 837 ALA H H 837 8.092 8.092 8.595 -0.503 25871 6767 1 10 . 1 1 838 838 GLY N N 838 106.965 106.965 107.793 -0.828 25871 6768 1 10 . 1 1 838 838 GLY CA C 838 47.029 47.029 46.869 0.160 25871 6769 1 10 . 1 1 838 838 GLY H H 838 7.667 7.667 8.101 -0.434 25871 6770 1 10 . 1 1 839 839 ASP N N 839 122.392 122.392 120.447 1.945 25871 6771 1 10 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.503 0.014 25871 6772 1 10 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.536 -0.955 25871 6773 1 10 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.318 -0.734 25871 6774 1 10 . 1 1 839 839 ASP H H 839 8.703 8.703 7.791 0.912 25871 6775 1 10 . 1 1 840 840 LYS N N 840 117.603 117.603 116.294 1.309 25871 6776 1 10 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.668 -0.336 25871 6777 1 10 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.756 1.211 25871 6778 1 10 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.231 -1.480 25871 6779 1 10 . 1 1 840 840 LYS H H 840 7.592 7.592 7.993 -0.401 25871 6780 1 10 . 1 1 841 841 ASN N N 841 116.654 116.654 116.880 -0.226 25871 6781 1 10 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.954 -0.312 25871 6782 1 10 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.235 0.461 25871 6783 1 10 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.006 0.250 25871 6784 1 10 . 1 1 841 841 ASN H H 841 8.689 8.689 8.841 -0.152 25871 6785 1 10 . 1 1 842 842 TYR N N 842 112.231 112.231 114.454 -2.223 25871 6786 1 10 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.961 0.052 25871 6787 1 10 . 1 1 842 842 TYR CA C 842 55.133 55.133 56.905 -1.772 25871 6788 1 10 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.075 1.553 25871 6789 1 10 . 1 1 842 842 TYR H H 842 6.638 6.638 7.328 -0.690 25871 6790 1 10 . 1 1 843 843 ILE N N 843 115.455 115.455 117.650 -2.195 25871 6791 1 10 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.158 0.642 25871 6792 1 10 . 1 1 843 843 ILE CA C 843 59.462 59.462 59.200 0.263 25871 6793 1 10 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.607 0.862 25871 6794 1 10 . 1 1 843 843 ILE H H 843 8.626 8.626 8.837 -0.211 25871 6795 1 10 . 1 1 844 844 THR N N 844 117.140 117.140 117.022 0.118 25871 6796 1 10 . 1 1 844 844 THR HA H 844 5.393 5.393 5.078 0.315 25871 6797 1 10 . 1 1 844 844 THR CA C 844 60.380 60.380 60.197 0.183 25871 6798 1 10 . 1 1 844 844 THR CB C 844 71.475 71.475 70.885 0.590 25871 6799 1 10 . 1 1 844 844 THR H H 844 9.329 9.329 7.916 1.413 25871 6800 1 10 . 1 1 845 845 MET N N 845 119.879 119.879 119.255 0.624 25871 6801 1 10 . 1 1 845 845 MET HA H 845 3.852 3.852 3.998 -0.146 25871 6802 1 10 . 1 1 845 845 MET CA C 845 60.389 60.389 60.520 -0.131 25871 6803 1 10 . 1 1 845 845 MET CB C 845 33.110 33.110 32.285 0.825 25871 6804 1 10 . 1 1 845 845 MET H H 845 8.555 8.555 8.798 -0.243 25871 6805 1 10 . 1 1 846 846 ASP N N 846 116.360 116.360 118.624 -2.264 25871 6806 1 10 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.386 -0.076 25871 6807 1 10 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.403 0.086 25871 6808 1 10 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.260 0.412 25871 6809 1 10 . 1 1 846 846 ASP H H 846 8.375 8.375 8.438 -0.063 25871 6810 1 10 . 1 1 847 847 GLU N N 847 120.575 120.575 119.113 1.462 25871 6811 1 10 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.107 -0.221 25871 6812 1 10 . 1 1 847 847 GLU CA C 847 59.754 59.754 58.838 0.916 25871 6813 1 10 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.698 0.059 25871 6814 1 10 . 1 1 847 847 GLU H H 847 7.852 7.852 7.671 0.181 25871 6815 1 10 . 1 1 848 848 LEU N N 848 118.753 118.753 118.003 0.750 25871 6816 1 10 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.238 -0.378 25871 6817 1 10 . 1 1 848 848 LEU CA C 848 58.683 58.683 57.944 0.739 25871 6818 1 10 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.417 1.107 25871 6819 1 10 . 1 1 848 848 LEU H H 848 7.834 7.834 8.105 -0.271 25871 6820 1 10 . 1 1 849 849 ARG N N 849 113.976 113.976 118.535 -4.559 25871 6821 1 10 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.288 -0.328 25871 6822 1 10 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.044 0.552 25871 6823 1 10 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.138 0.007 25871 6824 1 10 . 1 1 849 849 ARG H H 849 8.055 8.055 7.839 0.216 25871 6825 1 10 . 1 1 850 850 ARG N N 850 118.184 118.184 118.421 -0.237 25871 6826 1 10 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.179 0.052 25871 6827 1 10 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.605 -0.226 25871 6828 1 10 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.673 1.440 25871 6829 1 10 . 1 1 850 850 ARG H H 850 7.739 7.739 7.656 0.083 25871 6830 1 10 . 1 1 851 851 GLU N N 851 115.550 115.550 119.056 -3.506 25871 6831 1 10 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.266 0.114 25871 6832 1 10 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.234 -1.240 25871 6833 1 10 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.751 0.934 25871 6834 1 10 . 1 1 851 851 GLU H H 851 7.591 7.591 7.622 -0.031 25871 6835 1 10 . 1 1 852 852 LEU N N 852 119.170 119.170 119.934 -0.764 25871 6836 1 10 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.827 0.099 25871 6837 1 10 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.078 0.213 25871 6838 1 10 . 1 1 852 852 LEU CB C 852 42.638 42.638 42.115 0.523 25871 6839 1 10 . 1 1 852 852 LEU H H 852 7.891 7.891 7.620 0.271 25871 6840 1 10 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.587 -0.282 25871 6841 1 10 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.664 3.737 25871 6842 1 10 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.296 0.028 25871 6843 1 10 . 1 1 855 855 ASP N N 855 114.853 114.853 118.422 -3.569 25871 6844 1 10 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.353 0.026 25871 6845 1 10 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.275 -0.217 25871 6846 1 10 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.054 -0.815 25871 6847 1 10 . 1 1 855 855 ASP H H 855 8.796 8.796 8.622 0.174 25871 6848 1 10 . 1 1 856 856 GLN N N 856 121.513 121.513 118.757 2.756 25871 6849 1 10 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.934 0.306 25871 6850 1 10 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.485 -0.101 25871 6851 1 10 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.845 1.498 25871 6852 1 10 . 1 1 856 856 GLN H H 856 7.471 7.471 8.406 -0.935 25871 6853 1 10 . 1 1 857 857 ALA N N 857 122.821 122.821 121.628 1.193 25871 6854 1 10 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.019 -0.189 25871 6855 1 10 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.775 0.630 25871 6856 1 10 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.184 -0.200 25871 6857 1 10 . 1 1 857 857 ALA H H 857 8.889 8.889 8.083 0.806 25871 6858 1 10 . 1 1 858 858 GLU N N 858 114.091 114.091 119.247 -5.156 25871 6859 1 10 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.047 0.009 25871 6860 1 10 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.733 -0.952 25871 6861 1 10 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.631 -0.964 25871 6862 1 10 . 1 1 858 858 GLU H H 858 8.143 8.143 7.741 0.402 25871 6863 1 10 . 1 1 859 859 TYR N N 859 120.670 120.670 118.829 1.841 25871 6864 1 10 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.253 -0.126 25871 6865 1 10 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.114 0.034 25871 6866 1 10 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.999 0.739 25871 6867 1 10 . 1 1 859 859 TYR H H 859 7.708 7.708 8.494 -0.786 25871 6868 1 10 . 1 1 860 860 CYS N N 860 115.848 115.848 117.198 -1.350 25871 6869 1 10 . 1 1 860 860 CYS HA H 860 4.188 4.188 3.970 0.218 25871 6870 1 10 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.016 0.422 25871 6871 1 10 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.538 -0.073 25871 6872 1 10 . 1 1 860 860 CYS H H 860 8.119 8.119 8.024 0.095 25871 6873 1 10 . 1 1 861 861 ILE N N 861 120.124 120.124 120.163 -0.039 25871 6874 1 10 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.599 -0.235 25871 6875 1 10 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.254 0.478 25871 6876 1 10 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.633 1.089 25871 6877 1 10 . 1 1 861 861 ILE H H 861 8.451 8.451 8.259 0.192 25871 6878 1 10 . 1 1 862 862 ALA N N 862 116.691 116.691 118.954 -2.263 25871 6879 1 10 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.096 0.154 25871 6880 1 10 . 1 1 862 862 ALA CA C 862 53.428 53.428 53.391 0.037 25871 6881 1 10 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.766 0.309 25871 6882 1 10 . 1 1 862 862 ALA H H 862 7.304 7.304 7.492 -0.188 25871 6883 1 10 . 1 1 863 863 ARG N N 863 117.259 117.259 116.113 1.146 25871 6884 1 10 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.226 0.066 25871 6885 1 10 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.935 0.504 25871 6886 1 10 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.380 0.078 25871 6887 1 10 . 1 1 863 863 ARG H H 863 7.357 7.357 7.274 0.083 25871 6888 1 10 . 1 1 864 864 MET N N 864 117.570 117.570 118.940 -1.370 25871 6889 1 10 . 1 1 864 864 MET HA H 864 4.598 4.598 4.294 0.304 25871 6890 1 10 . 1 1 864 864 MET CA C 864 55.180 55.180 55.301 -0.121 25871 6891 1 10 . 1 1 864 864 MET CB C 864 37.428 37.428 34.866 2.562 25871 6892 1 10 . 1 1 864 864 MET H H 864 7.147 7.147 7.290 -0.143 25871 6893 1 10 . 1 1 865 865 ALA N N 865 124.616 124.616 122.420 2.196 25871 6894 1 10 . 1 1 865 865 ALA HA H 865 3.933 3.933 5.145 -1.212 25871 6895 1 10 . 1 1 865 865 ALA CA C 865 49.280 49.280 48.571 0.709 25871 6896 1 10 . 1 1 865 865 ALA CB C 865 18.649 18.649 19.093 -0.444 25871 6897 1 10 . 1 1 865 865 ALA H H 865 8.548 8.548 8.413 0.135 25871 6898 1 10 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.544 -0.025 25871 6899 1 10 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.537 0.284 25871 6900 1 10 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.537 -0.546 25871 6901 1 10 . 1 1 867 867 TYR N N 867 122.454 122.454 122.504 -0.050 25871 6902 1 10 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.678 -0.523 25871 6903 1 10 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.821 -0.870 25871 6904 1 10 . 1 1 867 867 TYR CB C 867 43.347 43.347 41.425 1.922 25871 6905 1 10 . 1 1 867 867 TYR H H 867 8.127 8.127 8.174 -0.047 25871 6906 1 10 . 1 1 869 869 GLY N N 869 105.881 105.881 109.571 -3.690 25871 6907 1 10 . 1 1 869 869 GLY CA C 869 45.090 45.090 42.907 2.183 25871 6908 1 10 . 1 1 869 869 GLY H H 869 5.440 5.440 6.413 -0.973 25871 6909 1 10 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.340 0.021 25871 6910 1 10 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.631 0.210 25871 6911 1 10 . 1 1 870 870 PRO CB C 870 31.630 31.630 31.912 -0.282 25871 6912 1 10 . 1 1 871 871 ASP N N 871 116.217 116.217 119.438 -3.221 25871 6913 1 10 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.928 -0.292 25871 6914 1 10 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.914 -0.964 25871 6915 1 10 . 1 1 871 871 ASP CB C 871 39.150 39.150 41.067 -1.917 25871 6916 1 10 . 1 1 871 871 ASP H H 871 9.263 9.263 8.122 1.141 25871 6917 1 10 . 1 1 872 872 SER N N 872 112.352 112.352 114.969 -2.617 25871 6918 1 10 . 1 1 872 872 SER HA H 872 3.530 3.530 4.386 -0.856 25871 6919 1 10 . 1 1 872 872 SER CA C 872 59.184 59.184 58.962 0.222 25871 6920 1 10 . 1 1 872 872 SER CB C 872 63.286 63.286 64.404 -1.118 25871 6921 1 10 . 1 1 872 872 SER H H 872 7.487 7.487 7.633 -0.146 25871 6922 1 10 . 1 1 873 873 VAL N N 873 113.588 113.588 113.219 0.369 25871 6923 1 10 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.695 0.058 25871 6924 1 10 . 1 1 873 873 VAL CA C 873 58.068 58.068 57.992 0.076 25871 6925 1 10 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.760 -0.843 25871 6926 1 10 . 1 1 873 873 VAL H H 873 6.411 6.411 8.058 -1.647 25871 6927 1 10 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.416 -0.086 25871 6928 1 10 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.368 -0.058 25871 6929 1 10 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.504 0.119 25871 6930 1 10 . 1 1 875 875 GLY N N 875 112.109 112.109 107.516 4.593 25871 6931 1 10 . 1 1 875 875 GLY CA C 875 45.492 45.492 43.629 1.863 25871 6932 1 10 . 1 1 875 875 GLY H H 875 8.798 8.798 7.925 0.874 25871 6933 1 10 . 1 1 876 876 ALA N N 876 120.267 120.267 124.112 -3.845 25871 6934 1 10 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.333 -1.196 25871 6935 1 10 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.723 2.540 25871 6936 1 10 . 1 1 876 876 ALA CB C 876 20.554 20.554 21.149 -0.595 25871 6937 1 10 . 1 1 876 876 ALA H H 876 7.762 7.762 7.683 0.079 25871 6938 1 10 . 1 1 877 877 LEU N N 877 125.696 125.696 122.456 3.240 25871 6939 1 10 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.016 -0.212 25871 6940 1 10 . 1 1 877 877 LEU CA C 877 54.292 54.292 54.001 0.291 25871 6941 1 10 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.737 -1.896 25871 6942 1 10 . 1 1 877 877 LEU H H 877 9.598 9.598 9.379 0.219 25871 6943 1 10 . 1 1 878 878 ASP N N 878 119.836 119.836 122.554 -2.718 25871 6944 1 10 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.084 -0.165 25871 6945 1 10 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.889 -0.759 25871 6946 1 10 . 1 1 878 878 ASP CB C 878 40.798 40.798 42.339 -1.541 25871 6947 1 10 . 1 1 878 878 ASP H H 878 9.028 9.028 8.634 0.394 25871 6948 1 10 . 1 1 879 879 TYR N N 879 126.600 126.600 125.482 1.118 25871 6949 1 10 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.303 0.315 25871 6950 1 10 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.869 -0.312 25871 6951 1 10 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.215 -0.691 25871 6952 1 10 . 1 1 879 879 TYR H H 879 7.454 7.454 8.212 -0.758 25871 6953 1 10 . 1 1 880 880 MET N N 880 119.910 119.910 118.950 0.960 25871 6954 1 10 . 1 1 880 880 MET HA H 880 4.619 4.619 3.705 0.914 25871 6955 1 10 . 1 1 880 880 MET CA C 880 56.205 56.205 56.921 -0.716 25871 6956 1 10 . 1 1 880 880 MET CB C 880 32.338 32.338 31.268 1.069 25871 6957 1 10 . 1 1 880 880 MET H H 880 7.620 7.620 7.536 0.084 25871 6958 1 10 . 1 1 881 881 SER N N 881 114.353 114.353 114.063 0.290 25871 6959 1 10 . 1 1 881 881 SER HA H 881 4.501 4.501 4.410 0.091 25871 6960 1 10 . 1 1 881 881 SER CA C 881 58.957 58.957 59.139 -0.182 25871 6961 1 10 . 1 1 881 881 SER CB C 881 64.284 64.284 62.575 1.709 25871 6962 1 10 . 1 1 881 881 SER H H 881 7.721 7.721 7.874 -0.153 25871 6963 1 10 . 1 1 882 882 PHE N N 882 122.746 122.746 123.686 -0.940 25871 6964 1 10 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.686 0.063 25871 6965 1 10 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.074 -0.623 25871 6966 1 10 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.833 1.463 25871 6967 1 10 . 1 1 882 882 PHE H H 882 7.386 7.386 7.675 -0.289 25871 6968 1 10 . 1 1 883 883 SER N N 883 120.214 120.214 112.415 7.799 25871 6969 1 10 . 1 1 883 883 SER HA H 883 4.338 4.338 3.843 0.495 25871 6970 1 10 . 1 1 883 883 SER CA C 883 57.455 57.455 60.015 -2.560 25871 6971 1 10 . 1 1 883 883 SER CB C 883 64.684 64.684 62.913 1.772 25871 6972 1 10 . 1 1 883 883 SER H H 883 7.464 7.464 8.414 -0.950 25871 6973 1 10 . 1 1 884 884 THR N N 884 110.671 110.671 109.145 1.526 25871 6974 1 10 . 1 1 884 884 THR HA H 884 4.008 4.008 4.431 -0.423 25871 6975 1 10 . 1 1 884 884 THR CA C 884 63.367 63.367 61.814 1.553 25871 6976 1 10 . 1 1 884 884 THR CB C 884 69.088 69.088 69.994 -0.906 25871 6977 1 10 . 1 1 884 884 THR H H 884 7.993 7.993 7.690 0.303 25871 6978 1 10 . 1 1 885 885 ALA N N 885 125.453 125.453 124.073 1.380 25871 6979 1 10 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.678 -0.408 25871 6980 1 10 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.123 0.037 25871 6981 1 10 . 1 1 885 885 ALA CB C 885 19.310 19.310 20.950 -1.639 25871 6982 1 10 . 1 1 885 885 ALA H H 885 7.905 7.905 7.627 0.278 25871 6983 1 10 . 1 1 886 886 LEU N N 886 120.791 120.791 118.274 2.517 25871 6984 1 10 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.195 -1.148 25871 6985 1 10 . 1 1 886 886 LEU CA C 886 55.496 55.496 54.529 0.967 25871 6986 1 10 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.217 -2.878 25871 6987 1 10 . 1 1 886 886 LEU H H 886 8.087 8.087 8.306 -0.219 25871 6988 1 10 . 1 1 887 887 TYR N N 887 121.620 121.620 116.954 4.666 25871 6989 1 10 . 1 1 887 887 TYR HA H 887 4.403 4.403 5.016 -0.613 25871 6990 1 10 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.376 1.418 25871 6991 1 10 . 1 1 887 887 TYR CB C 887 38.621 38.621 38.875 -0.254 25871 6992 1 10 . 1 1 887 887 TYR H H 887 8.272 8.272 8.701 -0.429 25871 6993 1 10 . 1 1 888 888 GLY N N 888 112.443 112.443 110.373 2.070 25871 6994 1 10 . 1 1 888 888 GLY CA C 888 45.195 45.195 43.864 1.331 25871 6995 1 10 . 1 1 888 888 GLY H H 888 8.087 8.087 7.576 0.511 25871 6996 1 10 . 1 1 889 889 GLU N N 889 120.272 120.272 119.665 0.607 25871 6997 1 10 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.581 -0.286 25871 6998 1 10 . 1 1 889 889 GLU CA C 889 56.593 56.593 55.547 1.046 25871 6999 1 10 . 1 1 889 889 GLU CB C 889 30.601 30.601 31.951 -1.350 25871 7000 1 10 . 1 1 889 889 GLU H H 889 7.991 7.991 8.398 -0.407 25871 7001 1 10 . 1 1 890 890 SER N N 890 116.330 116.330 114.409 1.921 25871 7002 1 10 . 1 1 890 890 SER HA H 890 4.452 4.452 4.724 -0.272 25871 7003 1 10 . 1 1 890 890 SER CA C 890 58.334 58.334 59.482 -1.148 25871 7004 1 10 . 1 1 890 890 SER CB C 890 64.174 64.174 63.789 0.385 25871 7005 1 10 . 1 1 890 890 SER H H 890 8.325 8.325 8.657 -0.332 25871 7006 1 10 . 1 1 891 891 ASP N N 891 122.987 122.987 121.543 1.444 25871 7007 1 10 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.798 -0.146 25871 7008 1 10 . 1 1 891 891 ASP CA C 891 54.534 54.534 54.123 0.411 25871 7009 1 10 . 1 1 891 891 ASP CB C 891 40.981 40.981 40.351 0.630 25871 7010 1 10 . 1 1 891 891 ASP H H 891 8.387 8.387 8.515 -0.128 25871 7011 1 11 . 1 1 743 743 ILE N N 743 122.085 122.085 124.601 -2.516 25871 7012 1 11 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.161 0.195 25871 7013 1 11 . 1 1 743 743 ILE CA C 743 60.624 60.624 61.784 -1.160 25871 7014 1 11 . 1 1 743 743 ILE CB C 743 39.023 39.023 37.921 1.102 25871 7015 1 11 . 1 1 743 743 ILE H H 743 8.122 8.122 7.400 0.722 25871 7016 1 11 . 1 1 744 744 SER N N 744 123.378 123.378 122.627 0.751 25871 7017 1 11 . 1 1 744 744 SER HA H 744 4.472 4.472 4.637 -0.165 25871 7018 1 11 . 1 1 744 744 SER CA C 744 57.581 57.581 57.196 0.385 25871 7019 1 11 . 1 1 744 744 SER CB C 744 65.276 65.276 64.829 0.447 25871 7020 1 11 . 1 1 744 744 SER H H 744 8.844 8.844 8.286 0.558 25871 7021 1 11 . 1 1 745 745 GLN N N 745 121.612 121.612 121.355 0.257 25871 7022 1 11 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.137 -0.159 25871 7023 1 11 . 1 1 745 745 GLN CA C 745 58.887 58.887 58.995 -0.108 25871 7024 1 11 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.434 0.091 25871 7025 1 11 . 1 1 745 745 GLN H H 745 9.035 9.035 8.910 0.125 25871 7026 1 11 . 1 1 746 746 GLU N N 746 118.618 118.618 116.757 1.861 25871 7027 1 11 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.103 -0.069 25871 7028 1 11 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.879 1.418 25871 7029 1 11 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.752 0.192 25871 7030 1 11 . 1 1 746 746 GLU H H 746 8.718 8.718 8.872 -0.154 25871 7031 1 11 . 1 1 747 747 GLN N N 747 120.436 120.436 119.934 0.502 25871 7032 1 11 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.341 -0.517 25871 7033 1 11 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.659 -0.155 25871 7034 1 11 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.369 -0.414 25871 7035 1 11 . 1 1 747 747 GLN H H 747 7.821 7.821 7.717 0.104 25871 7036 1 11 . 1 1 748 748 MET N N 748 119.174 119.174 117.547 1.627 25871 7037 1 11 . 1 1 748 748 MET HA H 748 4.228 4.228 4.510 -0.282 25871 7038 1 11 . 1 1 748 748 MET CA C 748 58.305 58.305 59.260 -0.955 25871 7039 1 11 . 1 1 748 748 MET CB C 748 30.922 30.922 32.199 -1.276 25871 7040 1 11 . 1 1 748 748 MET H H 748 8.477 8.477 8.229 0.248 25871 7041 1 11 . 1 1 749 749 ASN N N 749 117.610 117.610 119.610 -2.000 25871 7042 1 11 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.449 0.056 25871 7043 1 11 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.796 -0.834 25871 7044 1 11 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.428 -0.524 25871 7045 1 11 . 1 1 749 749 ASN H H 749 8.302 8.302 8.029 0.273 25871 7046 1 11 . 1 1 750 750 GLU N N 750 122.737 122.737 120.165 2.572 25871 7047 1 11 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.080 0.166 25871 7048 1 11 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.681 0.844 25871 7049 1 11 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.019 0.390 25871 7050 1 11 . 1 1 750 750 GLU H H 750 7.789 7.789 7.905 -0.116 25871 7051 1 11 . 1 1 751 751 PHE N N 751 120.358 120.358 121.604 -1.246 25871 7052 1 11 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.590 0.388 25871 7053 1 11 . 1 1 751 751 PHE CA C 751 58.643 58.643 61.651 -3.008 25871 7054 1 11 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.942 -1.464 25871 7055 1 11 . 1 1 751 751 PHE H H 751 8.772 8.772 8.575 0.197 25871 7056 1 11 . 1 1 752 752 ARG N N 752 120.173 120.173 119.606 0.567 25871 7057 1 11 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.248 -0.101 25871 7058 1 11 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.870 -3.069 25871 7059 1 11 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.078 0.283 25871 7060 1 11 . 1 1 752 752 ARG H H 752 8.990 8.990 8.618 0.372 25871 7061 1 11 . 1 1 753 753 ALA N N 753 120.965 120.965 121.864 -0.899 25871 7062 1 11 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.243 0.012 25871 7063 1 11 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.257 0.168 25871 7064 1 11 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.287 -0.275 25871 7065 1 11 . 1 1 753 753 ALA H H 753 8.136 8.136 8.385 -0.249 25871 7066 1 11 . 1 1 754 754 SER N N 754 115.350 115.350 115.608 -0.258 25871 7067 1 11 . 1 1 754 754 SER HA H 754 4.451 4.451 4.341 0.110 25871 7068 1 11 . 1 1 754 754 SER CA C 754 63.045 63.045 61.695 1.350 25871 7069 1 11 . 1 1 754 754 SER CB C 754 63.111 63.111 63.403 -0.292 25871 7070 1 11 . 1 1 754 754 SER H H 754 8.366 8.366 8.559 -0.193 25871 7071 1 11 . 1 1 755 755 PHE N N 755 121.902 121.902 123.732 -1.830 25871 7072 1 11 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.312 -0.326 25871 7073 1 11 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.676 1.677 25871 7074 1 11 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.098 1.067 25871 7075 1 11 . 1 1 755 755 PHE H H 755 8.498 8.498 8.287 0.211 25871 7076 1 11 . 1 1 756 756 ASN N N 756 114.071 114.071 117.811 -3.740 25871 7077 1 11 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.724 0.806 25871 7078 1 11 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.218 0.586 25871 7079 1 11 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.515 -0.582 25871 7080 1 11 . 1 1 756 756 ASN H H 756 8.722 8.722 8.011 0.711 25871 7081 1 11 . 1 1 757 757 HIS N N 757 119.524 119.524 119.231 0.293 25871 7082 1 11 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.276 -0.154 25871 7083 1 11 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.184 0.287 25871 7084 1 11 . 1 1 757 757 HIS CB C 757 30.047 30.047 29.994 0.053 25871 7085 1 11 . 1 1 757 757 HIS H H 757 8.027 8.027 8.066 -0.039 25871 7086 1 11 . 1 1 758 758 PHE N N 758 113.439 113.439 115.803 -2.364 25871 7087 1 11 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.450 -0.343 25871 7088 1 11 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.913 0.155 25871 7089 1 11 . 1 1 758 758 PHE CB C 758 39.988 39.988 40.132 -0.144 25871 7090 1 11 . 1 1 758 758 PHE H H 758 7.322 7.322 7.990 -0.668 25871 7091 1 11 . 1 1 759 759 ASP N N 759 121.632 121.632 119.237 2.395 25871 7092 1 11 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.732 -0.116 25871 7093 1 11 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.454 0.154 25871 7094 1 11 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.164 -0.483 25871 7095 1 11 . 1 1 759 759 ASP H H 759 7.439 7.439 8.437 -0.998 25871 7096 1 11 . 1 1 760 760 ARG N N 760 123.429 123.429 122.250 1.179 25871 7097 1 11 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.894 -0.069 25871 7098 1 11 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.127 1.504 25871 7099 1 11 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.146 -0.073 25871 7100 1 11 . 1 1 760 760 ARG H H 760 7.797 7.797 7.722 0.075 25871 7101 1 11 . 1 1 761 761 ASP N N 761 115.027 115.027 117.696 -2.669 25871 7102 1 11 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.619 -0.138 25871 7103 1 11 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.720 -1.242 25871 7104 1 11 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.300 -1.800 25871 7105 1 11 . 1 1 761 761 ASP H H 761 8.470 8.470 7.646 0.824 25871 7106 1 11 . 1 1 762 762 HIS N N 762 117.442 117.442 116.637 0.805 25871 7107 1 11 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.370 -0.133 25871 7108 1 11 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.754 -0.261 25871 7109 1 11 . 1 1 762 762 HIS CB C 762 26.581 26.581 27.201 -0.620 25871 7110 1 11 . 1 1 762 762 HIS H H 762 7.716 7.716 7.497 0.219 25871 7111 1 11 . 1 1 763 763 SER N N 763 117.624 117.624 115.561 2.063 25871 7112 1 11 . 1 1 763 763 SER HA H 763 4.441 4.441 4.325 0.116 25871 7113 1 11 . 1 1 763 763 SER CA C 763 59.706 59.706 60.052 -0.346 25871 7114 1 11 . 1 1 763 763 SER CB C 763 65.228 65.228 64.443 0.785 25871 7115 1 11 . 1 1 763 763 SER H H 763 9.708 9.708 8.478 1.230 25871 7116 1 11 . 1 1 764 764 GLY N N 764 117.320 117.320 110.403 6.917 25871 7117 1 11 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.746 0.013 25871 7118 1 11 . 1 1 764 764 GLY H H 764 11.185 11.185 9.408 1.777 25871 7119 1 11 . 1 1 765 765 THR N N 765 110.392 110.392 111.003 -0.611 25871 7120 1 11 . 1 1 765 765 THR HA H 765 5.197 5.197 5.256 -0.059 25871 7121 1 11 . 1 1 765 765 THR CA C 765 59.125 59.125 60.412 -1.287 25871 7122 1 11 . 1 1 765 765 THR CB C 765 73.022 73.022 72.088 0.934 25871 7123 1 11 . 1 1 765 765 THR H H 765 7.972 7.972 7.467 0.505 25871 7124 1 11 . 1 1 766 766 LEU N N 766 117.658 117.658 119.007 -1.349 25871 7125 1 11 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.658 0.166 25871 7126 1 11 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.067 -0.315 25871 7127 1 11 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.754 -1.541 25871 7128 1 11 . 1 1 766 766 LEU H H 766 8.589 8.589 8.501 0.088 25871 7129 1 11 . 1 1 767 767 GLY N N 767 108.644 108.644 107.179 1.465 25871 7130 1 11 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.281 0.655 25871 7131 1 11 . 1 1 767 767 GLY H H 767 8.601 8.601 8.159 0.442 25871 7132 1 11 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.432 -0.151 25871 7133 1 11 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.459 1.414 25871 7134 1 11 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.186 0.005 25871 7135 1 11 . 1 1 769 769 GLU N N 769 115.170 115.170 118.358 -3.188 25871 7136 1 11 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.918 0.014 25871 7137 1 11 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.547 0.226 25871 7138 1 11 . 1 1 769 769 GLU CB C 769 28.828 28.828 28.930 -0.102 25871 7139 1 11 . 1 1 769 769 GLU H H 769 8.649 8.649 8.763 -0.114 25871 7140 1 11 . 1 1 770 770 GLU N N 770 121.294 121.294 120.622 0.672 25871 7141 1 11 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.222 -0.109 25871 7142 1 11 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.861 -0.243 25871 7143 1 11 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.334 0.969 25871 7144 1 11 . 1 1 770 770 GLU H H 770 7.846 7.846 8.642 -0.796 25871 7145 1 11 . 1 1 771 771 PHE N N 771 119.292 119.292 118.379 0.913 25871 7146 1 11 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.098 0.144 25871 7147 1 11 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.751 -0.647 25871 7148 1 11 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.929 -0.203 25871 7149 1 11 . 1 1 771 771 PHE H H 771 8.876 8.876 8.284 0.592 25871 7150 1 11 . 1 1 772 772 LYS N N 772 120.139 120.139 120.313 -0.174 25871 7151 1 11 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.978 -0.802 25871 7152 1 11 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.342 1.143 25871 7153 1 11 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.259 -0.575 25871 7154 1 11 . 1 1 772 772 LYS H H 772 8.404 8.404 7.579 0.825 25871 7155 1 11 . 1 1 773 773 ALA N N 773 118.856 118.856 122.422 -3.566 25871 7156 1 11 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.105 -0.313 25871 7157 1 11 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.485 0.482 25871 7158 1 11 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.191 -0.245 25871 7159 1 11 . 1 1 773 773 ALA H H 773 7.180 7.180 8.431 -1.251 25871 7160 1 11 . 1 1 774 774 CYS N N 774 121.600 121.600 116.018 5.582 25871 7161 1 11 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.952 0.234 25871 7162 1 11 . 1 1 774 774 CYS CA C 774 61.579 61.579 60.676 0.903 25871 7163 1 11 . 1 1 774 774 CYS CB C 774 26.030 26.030 25.564 0.466 25871 7164 1 11 . 1 1 774 774 CYS H H 774 7.731 7.731 7.480 0.251 25871 7165 1 11 . 1 1 775 775 LEU N N 775 120.029 120.029 118.681 1.348 25871 7166 1 11 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.619 0.220 25871 7167 1 11 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.083 1.266 25871 7168 1 11 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.206 -0.678 25871 7169 1 11 . 1 1 775 775 LEU H H 775 8.353 8.353 6.925 1.428 25871 7170 1 11 . 1 1 776 776 ILE N N 776 121.900 121.900 119.789 2.111 25871 7171 1 11 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.160 0.069 25871 7172 1 11 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.537 0.986 25871 7173 1 11 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.464 0.797 25871 7174 1 11 . 1 1 776 776 ILE H H 776 8.405 8.405 8.051 0.354 25871 7175 1 11 . 1 1 777 777 SER N N 777 119.490 119.490 115.576 3.914 25871 7176 1 11 . 1 1 777 777 SER HA H 777 4.435 4.435 4.266 0.169 25871 7177 1 11 . 1 1 777 777 SER CA C 777 61.843 61.843 61.365 0.478 25871 7178 1 11 . 1 1 777 777 SER CB C 777 62.953 62.953 62.908 0.045 25871 7179 1 11 . 1 1 777 777 SER H H 777 8.144 8.144 8.043 0.101 25871 7180 1 11 . 1 1 778 778 LEU N N 778 122.142 122.142 118.532 3.610 25871 7181 1 11 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.513 0.129 25871 7182 1 11 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.213 -0.136 25871 7183 1 11 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.993 -0.373 25871 7184 1 11 . 1 1 778 778 LEU H H 778 7.644 7.644 7.751 -0.107 25871 7185 1 11 . 1 1 779 779 GLY N N 779 106.613 106.613 105.802 0.811 25871 7186 1 11 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.567 0.583 25871 7187 1 11 . 1 1 779 779 GLY H H 779 7.982 7.982 7.670 0.312 25871 7188 1 11 . 1 1 780 780 TYR N N 780 121.620 121.620 120.133 1.487 25871 7189 1 11 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.575 -0.410 25871 7190 1 11 . 1 1 780 780 TYR CA C 780 59.373 59.373 56.902 2.471 25871 7191 1 11 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.838 -1.444 25871 7192 1 11 . 1 1 780 780 TYR H H 780 8.174 8.174 7.785 0.389 25871 7193 1 11 . 1 1 781 781 ASP N N 781 124.225 124.225 120.824 3.401 25871 7194 1 11 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.661 0.028 25871 7195 1 11 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.729 -0.164 25871 7196 1 11 . 1 1 781 781 ASP CB C 781 40.115 40.115 40.125 -0.010 25871 7197 1 11 . 1 1 781 781 ASP H H 781 8.650 8.650 8.805 -0.155 25871 7198 1 11 . 1 1 782 782 ILE N N 782 123.492 123.492 120.596 2.896 25871 7199 1 11 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.279 -0.030 25871 7200 1 11 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.842 -1.352 25871 7201 1 11 . 1 1 782 782 ILE CB C 782 38.425 38.425 36.844 1.581 25871 7202 1 11 . 1 1 782 782 ILE H H 782 7.300 7.300 7.852 -0.552 25871 7203 1 11 . 1 1 783 783 GLY N N 783 113.404 113.404 112.699 0.705 25871 7204 1 11 . 1 1 783 783 GLY CA C 783 44.630 44.630 45.272 -0.641 25871 7205 1 11 . 1 1 783 783 GLY H H 783 8.345 8.345 7.579 0.766 25871 7206 1 11 . 1 1 784 784 ASN N N 784 119.115 119.115 117.455 1.660 25871 7207 1 11 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.634 0.294 25871 7208 1 11 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.247 -1.192 25871 7209 1 11 . 1 1 784 784 ASN CB C 784 37.467 37.467 38.910 -1.443 25871 7210 1 11 . 1 1 784 784 ASN H H 784 8.476 8.476 8.611 -0.135 25871 7211 1 11 . 1 1 785 785 ASP N N 785 119.675 119.675 120.752 -1.077 25871 7212 1 11 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.722 0.098 25871 7213 1 11 . 1 1 785 785 ASP CA C 785 52.365 52.365 52.634 -0.269 25871 7214 1 11 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.127 -1.391 25871 7215 1 11 . 1 1 785 785 ASP H H 785 8.081 8.081 7.747 0.334 25871 7216 1 11 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.255 0.051 25871 7217 1 11 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.014 1.198 25871 7218 1 11 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.185 -0.205 25871 7219 1 11 . 1 1 787 787 GLN N N 787 118.154 118.154 119.248 -1.094 25871 7220 1 11 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.197 -0.019 25871 7221 1 11 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.896 0.537 25871 7222 1 11 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.014 0.654 25871 7223 1 11 . 1 1 787 787 GLN H H 787 8.413 8.413 8.469 -0.056 25871 7224 1 11 . 1 1 788 788 GLY N N 788 113.343 113.343 109.712 3.631 25871 7225 1 11 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.652 0.799 25871 7226 1 11 . 1 1 788 788 GLY H H 788 8.644 8.644 8.521 0.123 25871 7227 1 11 . 1 1 789 789 GLU N N 789 121.232 121.232 122.090 -0.858 25871 7228 1 11 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.044 0.117 25871 7229 1 11 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.679 -0.246 25871 7230 1 11 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.567 0.074 25871 7231 1 11 . 1 1 789 789 GLU H H 789 8.539 8.539 8.380 0.159 25871 7232 1 11 . 1 1 790 790 ALA N N 790 122.805 122.805 121.199 1.606 25871 7233 1 11 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.138 0.135 25871 7234 1 11 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.115 -0.167 25871 7235 1 11 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.454 -0.553 25871 7236 1 11 . 1 1 790 790 ALA H H 790 8.035 8.035 7.640 0.395 25871 7237 1 11 . 1 1 791 791 GLU N N 791 122.504 122.504 117.356 5.148 25871 7238 1 11 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.181 0.568 25871 7239 1 11 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.652 0.815 25871 7240 1 11 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.731 -1.152 25871 7241 1 11 . 1 1 791 791 GLU H H 791 8.309 8.309 7.868 0.441 25871 7242 1 11 . 1 1 792 792 PHE N N 792 119.966 119.966 122.601 -2.635 25871 7243 1 11 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.274 -0.076 25871 7244 1 11 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.528 1.091 25871 7245 1 11 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.100 -0.635 25871 7246 1 11 . 1 1 792 792 PHE H H 792 8.835 8.835 8.565 0.270 25871 7247 1 11 . 1 1 793 793 ALA N N 793 119.978 119.978 122.246 -2.268 25871 7248 1 11 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.603 0.303 25871 7249 1 11 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.042 -0.022 25871 7250 1 11 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.050 -0.414 25871 7251 1 11 . 1 1 793 793 ALA H H 793 8.147 8.147 8.117 0.030 25871 7252 1 11 . 1 1 794 794 ARG N N 794 121.286 121.286 117.740 3.546 25871 7253 1 11 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.007 -0.070 25871 7254 1 11 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.783 0.853 25871 7255 1 11 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.896 0.361 25871 7256 1 11 . 1 1 794 794 ARG H H 794 7.953 7.953 7.578 0.375 25871 7257 1 11 . 1 1 795 795 ILE N N 795 121.594 121.594 120.692 0.902 25871 7258 1 11 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.422 -0.111 25871 7259 1 11 . 1 1 795 795 ILE CA C 795 66.176 66.176 65.103 1.073 25871 7260 1 11 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.843 0.491 25871 7261 1 11 . 1 1 795 795 ILE H H 795 8.091 8.091 7.089 1.002 25871 7262 1 11 . 1 1 796 796 MET N N 796 118.593 118.593 116.802 1.791 25871 7263 1 11 . 1 1 796 796 MET HA H 796 4.266 4.266 4.045 0.221 25871 7264 1 11 . 1 1 796 796 MET CA C 796 56.204 56.204 58.825 -2.621 25871 7265 1 11 . 1 1 796 796 MET CB C 796 29.453 29.453 31.798 -2.345 25871 7266 1 11 . 1 1 796 796 MET H H 796 8.543 8.543 8.111 0.432 25871 7267 1 11 . 1 1 797 797 SER N N 797 114.792 114.792 114.120 0.672 25871 7268 1 11 . 1 1 797 797 SER HA H 797 4.131 4.131 4.311 -0.180 25871 7269 1 11 . 1 1 797 797 SER CA C 797 61.233 61.233 61.235 -0.002 25871 7270 1 11 . 1 1 797 797 SER CB C 797 63.017 63.017 63.234 -0.217 25871 7271 1 11 . 1 1 797 797 SER H H 797 7.740 7.740 7.337 0.403 25871 7272 1 11 . 1 1 798 798 ILE N N 798 121.041 121.041 120.530 0.511 25871 7273 1 11 . 1 1 798 798 ILE HA H 798 3.869 3.869 3.982 -0.113 25871 7274 1 11 . 1 1 798 798 ILE CA C 798 63.939 63.939 64.028 -0.089 25871 7275 1 11 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.998 -0.107 25871 7276 1 11 . 1 1 798 798 ILE H H 798 7.352 7.352 7.591 -0.239 25871 7277 1 11 . 1 1 799 799 VAL N N 799 110.418 110.418 111.562 -1.144 25871 7278 1 11 . 1 1 799 799 VAL HA H 799 4.211 4.211 4.016 0.195 25871 7279 1 11 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.541 -0.357 25871 7280 1 11 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.531 -0.121 25871 7281 1 11 . 1 1 799 799 VAL H H 799 7.806 7.806 7.889 -0.083 25871 7282 1 11 . 1 1 800 800 ASP N N 800 119.703 119.703 116.931 2.772 25871 7283 1 11 . 1 1 800 800 ASP HA H 800 5.257 5.257 4.945 0.312 25871 7284 1 11 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.789 -0.055 25871 7285 1 11 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.461 -0.127 25871 7286 1 11 . 1 1 800 800 ASP H H 800 8.124 8.124 7.489 0.635 25871 7287 1 11 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.662 -0.302 25871 7288 1 11 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.176 0.859 25871 7289 1 11 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.161 -0.264 25871 7290 1 11 . 1 1 802 802 ASN N N 802 115.156 115.156 116.254 -1.098 25871 7291 1 11 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.681 0.098 25871 7292 1 11 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.045 0.183 25871 7293 1 11 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.698 -0.484 25871 7294 1 11 . 1 1 802 802 ASN H H 802 8.967 8.967 7.971 0.996 25871 7295 1 11 . 1 1 803 803 ARG N N 803 117.568 117.568 115.539 2.029 25871 7296 1 11 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.150 -0.301 25871 7297 1 11 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.464 0.512 25871 7298 1 11 . 1 1 803 803 ARG CB C 803 26.440 26.440 26.800 -0.360 25871 7299 1 11 . 1 1 803 803 ARG H H 803 8.013 8.013 7.822 0.191 25871 7300 1 11 . 1 1 804 804 LEU N N 804 122.899 122.899 119.907 2.992 25871 7301 1 11 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.199 0.013 25871 7302 1 11 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.947 0.214 25871 7303 1 11 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.232 0.656 25871 7304 1 11 . 1 1 804 804 LEU H H 804 10.338 10.338 8.824 1.514 25871 7305 1 11 . 1 1 805 805 GLY N N 805 110.909 110.909 106.677 4.232 25871 7306 1 11 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.463 -0.182 25871 7307 1 11 . 1 1 805 805 GLY H H 805 10.955 10.955 9.052 1.903 25871 7308 1 11 . 1 1 806 806 VAL N N 806 111.683 111.683 114.262 -2.579 25871 7309 1 11 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.101 -0.518 25871 7310 1 11 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.794 -0.379 25871 7311 1 11 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.656 0.647 25871 7312 1 11 . 1 1 806 806 VAL H H 806 6.806 6.806 7.285 -0.479 25871 7313 1 11 . 1 1 807 807 VAL N N 807 123.649 123.649 120.874 2.775 25871 7314 1 11 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.451 -0.265 25871 7315 1 11 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.589 1.091 25871 7316 1 11 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.489 -2.586 25871 7317 1 11 . 1 1 807 807 VAL H H 807 9.156 9.156 8.873 0.283 25871 7318 1 11 . 1 1 808 808 THR N N 808 116.404 116.404 118.385 -1.981 25871 7319 1 11 . 1 1 808 808 THR HA H 808 4.782 4.782 4.849 -0.067 25871 7320 1 11 . 1 1 808 808 THR CA C 808 62.526 62.526 59.388 3.138 25871 7321 1 11 . 1 1 808 808 THR CB C 808 69.707 69.707 71.234 -1.527 25871 7322 1 11 . 1 1 808 808 THR H H 808 7.948 7.948 8.046 -0.098 25871 7323 1 11 . 1 1 809 809 PHE N N 809 121.514 121.514 123.271 -1.757 25871 7324 1 11 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.412 -0.910 25871 7325 1 11 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.443 -0.665 25871 7326 1 11 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.878 -0.443 25871 7327 1 11 . 1 1 809 809 PHE H H 809 8.528 8.528 8.062 0.466 25871 7328 1 11 . 1 1 810 810 GLN N N 810 116.869 116.869 117.853 -0.984 25871 7329 1 11 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.514 0.107 25871 7330 1 11 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.911 0.637 25871 7331 1 11 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.880 0.517 25871 7332 1 11 . 1 1 810 810 GLN H H 810 8.638 8.638 8.137 0.501 25871 7333 1 11 . 1 1 811 811 ALA N N 811 121.318 121.318 123.161 -1.843 25871 7334 1 11 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.947 0.201 25871 7335 1 11 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.726 0.363 25871 7336 1 11 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.628 0.612 25871 7337 1 11 . 1 1 811 811 ALA H H 811 7.795 7.795 7.203 0.592 25871 7338 1 11 . 1 1 812 812 PHE N N 812 119.498 119.498 116.042 3.456 25871 7339 1 11 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.868 0.309 25871 7340 1 11 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.205 1.292 25871 7341 1 11 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.725 0.301 25871 7342 1 11 . 1 1 812 812 PHE H H 812 8.093 8.093 7.602 0.491 25871 7343 1 11 . 1 1 813 813 ILE N N 813 119.554 119.554 118.961 0.593 25871 7344 1 11 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.613 0.532 25871 7345 1 11 . 1 1 813 813 ILE CA C 813 62.176 62.176 63.004 -0.828 25871 7346 1 11 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.596 0.194 25871 7347 1 11 . 1 1 813 813 ILE H H 813 8.316 8.316 6.262 2.054 25871 7348 1 11 . 1 1 814 814 ASP N N 814 123.772 123.772 121.248 2.524 25871 7349 1 11 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.152 0.088 25871 7350 1 11 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.362 0.541 25871 7351 1 11 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.641 -0.399 25871 7352 1 11 . 1 1 814 814 ASP H H 814 8.434 8.434 7.396 1.038 25871 7353 1 11 . 1 1 815 815 PHE N N 815 121.079 121.079 114.964 6.115 25871 7354 1 11 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.358 -0.185 25871 7355 1 11 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.949 2.176 25871 7356 1 11 . 1 1 815 815 PHE CB C 815 39.292 39.292 37.919 1.373 25871 7357 1 11 . 1 1 815 815 PHE H H 815 7.904 7.904 6.953 0.951 25871 7358 1 11 . 1 1 816 816 MET N N 816 117.231 117.231 121.448 -4.217 25871 7359 1 11 . 1 1 816 816 MET HA H 816 3.864 3.864 4.242 -0.378 25871 7360 1 11 . 1 1 816 816 MET CA C 816 55.934 55.934 57.990 -2.056 25871 7361 1 11 . 1 1 816 816 MET CB C 816 30.451 30.451 31.193 -0.742 25871 7362 1 11 . 1 1 816 816 MET H H 816 8.270 8.270 7.279 0.991 25871 7363 1 11 . 1 1 817 817 SER N N 817 114.308 114.308 115.614 -1.306 25871 7364 1 11 . 1 1 817 817 SER HA H 817 4.209 4.209 4.206 0.003 25871 7365 1 11 . 1 1 817 817 SER CA C 817 60.410 60.410 60.973 -0.563 25871 7366 1 11 . 1 1 817 817 SER CB C 817 63.328 63.328 62.902 0.426 25871 7367 1 11 . 1 1 817 817 SER H H 817 8.100 8.100 7.751 0.349 25871 7368 1 11 . 1 1 818 818 ARG N N 818 121.459 121.459 120.281 1.178 25871 7369 1 11 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.112 0.052 25871 7370 1 11 . 1 1 818 818 ARG CA C 818 57.468 57.468 59.059 -1.591 25871 7371 1 11 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.309 0.076 25871 7372 1 11 . 1 1 818 818 ARG H H 818 7.329 7.329 7.401 -0.072 25871 7373 1 11 . 1 1 819 819 GLU N N 819 119.944 119.944 117.168 2.776 25871 7374 1 11 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.319 -0.155 25871 7375 1 11 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.212 -0.744 25871 7376 1 11 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.567 0.959 25871 7377 1 11 . 1 1 819 819 GLU H H 819 8.059 8.059 8.464 -0.405 25871 7378 1 11 . 1 1 820 820 THR N N 820 112.658 112.658 114.164 -1.506 25871 7379 1 11 . 1 1 820 820 THR HA H 820 4.309 4.309 4.141 0.168 25871 7380 1 11 . 1 1 820 820 THR CA C 820 62.191 62.191 64.694 -2.503 25871 7381 1 11 . 1 1 820 820 THR CB C 820 69.877 69.877 69.146 0.731 25871 7382 1 11 . 1 1 820 820 THR H H 820 7.789 7.789 7.539 0.250 25871 7383 1 11 . 1 1 821 821 ALA N N 821 126.145 126.145 122.916 3.229 25871 7384 1 11 . 1 1 821 821 ALA HA H 821 4.332 4.332 3.964 0.368 25871 7385 1 11 . 1 1 821 821 ALA CA C 821 52.816 52.816 53.023 -0.207 25871 7386 1 11 . 1 1 821 821 ALA CB C 821 19.459 19.459 17.048 2.411 25871 7387 1 11 . 1 1 821 821 ALA H H 821 8.003 8.003 7.513 0.490 25871 7388 1 11 . 1 1 822 822 ASP N N 822 120.003 120.003 119.619 0.384 25871 7389 1 11 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.653 -0.011 25871 7390 1 11 . 1 1 822 822 ASP CA C 822 54.439 54.439 53.093 1.346 25871 7391 1 11 . 1 1 822 822 ASP CB C 822 40.866 40.866 41.827 -0.961 25871 7392 1 11 . 1 1 822 822 ASP H H 822 8.330 8.330 8.209 0.121 25871 7393 1 11 . 1 1 823 823 THR N N 823 114.181 114.181 112.820 1.361 25871 7394 1 11 . 1 1 823 823 THR HA H 823 4.304 4.304 4.527 -0.223 25871 7395 1 11 . 1 1 823 823 THR CA C 823 62.284 62.284 61.156 1.128 25871 7396 1 11 . 1 1 823 823 THR CB C 823 69.738 69.738 70.268 -0.530 25871 7397 1 11 . 1 1 823 823 THR H H 823 8.093 8.093 8.103 -0.010 25871 7398 1 11 . 1 1 824 824 ASP N N 824 123.285 123.285 121.248 2.037 25871 7399 1 11 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.761 -0.110 25871 7400 1 11 . 1 1 824 824 ASP CA C 824 54.595 54.595 53.706 0.889 25871 7401 1 11 . 1 1 824 824 ASP CB C 824 41.145 41.145 43.512 -2.367 25871 7402 1 11 . 1 1 824 824 ASP H H 824 8.426 8.426 8.374 0.052 25871 7403 1 11 . 1 1 825 825 THR N N 825 114.970 114.970 115.107 -0.137 25871 7404 1 11 . 1 1 825 825 THR HA H 825 4.313 4.313 4.161 0.152 25871 7405 1 11 . 1 1 825 825 THR CA C 825 62.329 62.329 64.663 -2.334 25871 7406 1 11 . 1 1 825 825 THR CB C 825 69.541 69.541 68.645 0.896 25871 7407 1 11 . 1 1 825 825 THR H H 825 8.157 8.157 8.712 -0.555 25871 7408 1 11 . 1 1 826 826 ALA N N 826 124.991 124.991 123.812 1.179 25871 7409 1 11 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.286 -0.085 25871 7410 1 11 . 1 1 826 826 ALA CA C 826 54.473 54.473 53.594 0.879 25871 7411 1 11 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.519 0.177 25871 7412 1 11 . 1 1 826 826 ALA H H 826 8.374 8.374 8.464 -0.090 25871 7413 1 11 . 1 1 827 827 ASP N N 827 117.795 117.795 119.150 -1.355 25871 7414 1 11 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.322 0.140 25871 7415 1 11 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.295 -1.144 25871 7416 1 11 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.913 0.017 25871 7417 1 11 . 1 1 827 827 ASP H H 827 8.255 8.255 7.811 0.444 25871 7418 1 11 . 1 1 828 828 GLN N N 828 120.646 120.646 118.248 2.398 25871 7419 1 11 . 1 1 828 828 GLN HA H 828 4.121 4.121 3.989 0.132 25871 7420 1 11 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.518 -0.568 25871 7421 1 11 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.715 -0.129 25871 7422 1 11 . 1 1 828 828 GLN H H 828 8.086 8.086 7.690 0.396 25871 7423 1 11 . 1 1 829 829 VAL N N 829 120.933 120.933 119.219 1.714 25871 7424 1 11 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.765 -0.214 25871 7425 1 11 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.008 1.313 25871 7426 1 11 . 1 1 829 829 VAL CB C 829 31.750 31.750 32.130 -0.380 25871 7427 1 11 . 1 1 829 829 VAL H H 829 8.048 8.048 7.548 0.500 25871 7428 1 11 . 1 1 830 830 MET N N 830 119.386 119.386 121.232 -1.846 25871 7429 1 11 . 1 1 830 830 MET HA H 830 4.030 4.030 4.372 -0.342 25871 7430 1 11 . 1 1 830 830 MET CA C 830 58.013 58.013 59.218 -1.204 25871 7431 1 11 . 1 1 830 830 MET CB C 830 32.110 32.110 32.525 -0.415 25871 7432 1 11 . 1 1 830 830 MET H H 830 8.088 8.088 8.700 -0.612 25871 7433 1 11 . 1 1 831 831 ALA N N 831 121.027 121.027 120.682 0.345 25871 7434 1 11 . 1 1 831 831 ALA HA H 831 4.075 4.075 3.968 0.107 25871 7435 1 11 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.445 -0.826 25871 7436 1 11 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.051 0.075 25871 7437 1 11 . 1 1 831 831 ALA H H 831 7.829 7.829 8.438 -0.609 25871 7438 1 11 . 1 1 832 832 SER N N 832 114.314 114.314 114.975 -0.661 25871 7439 1 11 . 1 1 832 832 SER HA H 832 4.181 4.181 4.115 0.066 25871 7440 1 11 . 1 1 832 832 SER CA C 832 61.039 61.039 61.249 -0.210 25871 7441 1 11 . 1 1 832 832 SER CB C 832 62.671 62.671 62.588 0.083 25871 7442 1 11 . 1 1 832 832 SER H H 832 7.711 7.711 7.424 0.287 25871 7443 1 11 . 1 1 833 833 PHE N N 833 121.898 121.898 122.182 -0.284 25871 7444 1 11 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.161 0.069 25871 7445 1 11 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.622 -1.188 25871 7446 1 11 . 1 1 833 833 PHE CB C 833 38.249 38.249 37.763 0.486 25871 7447 1 11 . 1 1 833 833 PHE H H 833 7.717 7.717 7.048 0.669 25871 7448 1 11 . 1 1 834 834 LYS N N 834 118.752 118.752 119.701 -0.949 25871 7449 1 11 . 1 1 834 834 LYS HA H 834 3.622 3.622 4.203 -0.581 25871 7450 1 11 . 1 1 834 834 LYS CA C 834 59.425 59.425 58.829 0.596 25871 7451 1 11 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.297 -0.113 25871 7452 1 11 . 1 1 834 834 LYS H H 834 7.844 7.844 8.458 -0.614 25871 7453 1 11 . 1 1 835 835 ILE N N 835 118.528 118.528 117.574 0.954 25871 7454 1 11 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.831 -0.061 25871 7455 1 11 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.112 -0.393 25871 7456 1 11 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.481 -0.575 25871 7457 1 11 . 1 1 835 835 ILE H H 835 7.311 7.311 7.253 0.058 25871 7458 1 11 . 1 1 836 836 LEU N N 836 121.176 121.176 117.675 3.501 25871 7459 1 11 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.349 -0.359 25871 7460 1 11 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.969 0.197 25871 7461 1 11 . 1 1 836 836 LEU CB C 836 42.496 42.496 42.226 0.270 25871 7462 1 11 . 1 1 836 836 LEU H H 836 7.617 7.617 7.323 0.294 25871 7463 1 11 . 1 1 837 837 ALA N N 837 119.189 119.189 119.998 -0.809 25871 7464 1 11 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.509 -0.585 25871 7465 1 11 . 1 1 837 837 ALA CA C 837 53.417 53.417 51.179 2.238 25871 7466 1 11 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.591 0.801 25871 7467 1 11 . 1 1 837 837 ALA H H 837 8.092 8.092 8.445 -0.353 25871 7468 1 11 . 1 1 838 838 GLY N N 838 106.965 106.965 108.127 -1.162 25871 7469 1 11 . 1 1 838 838 GLY CA C 838 47.029 47.029 46.384 0.645 25871 7470 1 11 . 1 1 838 838 GLY H H 838 7.667 7.667 7.933 -0.266 25871 7471 1 11 . 1 1 839 839 ASP N N 839 122.392 122.392 119.417 2.975 25871 7472 1 11 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.572 -0.055 25871 7473 1 11 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.742 -1.161 25871 7474 1 11 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.257 -0.673 25871 7475 1 11 . 1 1 839 839 ASP H H 839 8.703 8.703 8.361 0.342 25871 7476 1 11 . 1 1 840 840 LYS N N 840 117.603 117.603 116.591 1.012 25871 7477 1 11 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.638 -0.306 25871 7478 1 11 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.915 1.052 25871 7479 1 11 . 1 1 840 840 LYS CB C 840 33.751 33.751 34.993 -1.242 25871 7480 1 11 . 1 1 840 840 LYS H H 840 7.592 7.592 7.579 0.013 25871 7481 1 11 . 1 1 841 841 ASN N N 841 116.654 116.654 116.615 0.039 25871 7482 1 11 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.982 -0.340 25871 7483 1 11 . 1 1 841 841 ASN CA C 841 53.696 53.696 52.808 0.888 25871 7484 1 11 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.849 -0.593 25871 7485 1 11 . 1 1 841 841 ASN H H 841 8.689 8.689 8.839 -0.150 25871 7486 1 11 . 1 1 842 842 TYR N N 842 112.231 112.231 114.667 -2.436 25871 7487 1 11 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.879 0.134 25871 7488 1 11 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.141 -2.008 25871 7489 1 11 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.447 1.181 25871 7490 1 11 . 1 1 842 842 TYR H H 842 6.638 6.638 7.261 -0.623 25871 7491 1 11 . 1 1 843 843 ILE N N 843 115.455 115.455 118.868 -3.413 25871 7492 1 11 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.255 0.545 25871 7493 1 11 . 1 1 843 843 ILE CA C 843 59.462 59.462 59.227 0.235 25871 7494 1 11 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.552 0.917 25871 7495 1 11 . 1 1 843 843 ILE H H 843 8.626 8.626 9.048 -0.422 25871 7496 1 11 . 1 1 844 844 THR N N 844 117.140 117.140 116.553 0.587 25871 7497 1 11 . 1 1 844 844 THR HA H 844 5.393 5.393 5.010 0.383 25871 7498 1 11 . 1 1 844 844 THR CA C 844 60.380 60.380 60.264 0.116 25871 7499 1 11 . 1 1 844 844 THR CB C 844 71.475 71.475 70.588 0.887 25871 7500 1 11 . 1 1 844 844 THR H H 844 9.329 9.329 8.026 1.303 25871 7501 1 11 . 1 1 845 845 MET N N 845 119.879 119.879 119.448 0.431 25871 7502 1 11 . 1 1 845 845 MET HA H 845 3.852 3.852 4.026 -0.174 25871 7503 1 11 . 1 1 845 845 MET CA C 845 60.389 60.389 60.518 -0.129 25871 7504 1 11 . 1 1 845 845 MET CB C 845 33.110 33.110 32.119 0.991 25871 7505 1 11 . 1 1 845 845 MET H H 845 8.555 8.555 8.293 0.262 25871 7506 1 11 . 1 1 846 846 ASP N N 846 116.360 116.360 118.797 -2.437 25871 7507 1 11 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.378 -0.068 25871 7508 1 11 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.322 0.167 25871 7509 1 11 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.840 -0.168 25871 7510 1 11 . 1 1 846 846 ASP H H 846 8.375 8.375 8.352 0.023 25871 7511 1 11 . 1 1 847 847 GLU N N 847 120.575 120.575 118.910 1.665 25871 7512 1 11 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.053 -0.167 25871 7513 1 11 . 1 1 847 847 GLU CA C 847 59.754 59.754 59.114 0.640 25871 7514 1 11 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.770 -0.013 25871 7515 1 11 . 1 1 847 847 GLU H H 847 7.852 7.852 7.782 0.070 25871 7516 1 11 . 1 1 848 848 LEU N N 848 118.753 118.753 117.520 1.233 25871 7517 1 11 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.180 -0.320 25871 7518 1 11 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.000 0.683 25871 7519 1 11 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.233 1.291 25871 7520 1 11 . 1 1 848 848 LEU H H 848 7.834 7.834 7.968 -0.134 25871 7521 1 11 . 1 1 849 849 ARG N N 849 113.976 113.976 118.000 -4.024 25871 7522 1 11 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.065 -0.105 25871 7523 1 11 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.744 -0.148 25871 7524 1 11 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.046 0.099 25871 7525 1 11 . 1 1 849 849 ARG H H 849 8.055 8.055 7.592 0.463 25871 7526 1 11 . 1 1 850 850 ARG N N 850 118.184 118.184 118.026 0.158 25871 7527 1 11 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.185 0.046 25871 7528 1 11 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.535 -0.156 25871 7529 1 11 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.772 1.341 25871 7530 1 11 . 1 1 850 850 ARG H H 850 7.739 7.739 7.654 0.085 25871 7531 1 11 . 1 1 851 851 GLU N N 851 115.550 115.550 119.052 -3.502 25871 7532 1 11 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.269 0.111 25871 7533 1 11 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.220 -1.226 25871 7534 1 11 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.767 0.918 25871 7535 1 11 . 1 1 851 851 GLU H H 851 7.591 7.591 7.653 -0.062 25871 7536 1 11 . 1 1 852 852 LEU N N 852 119.170 119.170 119.783 -0.613 25871 7537 1 11 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.840 0.086 25871 7538 1 11 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.335 -0.044 25871 7539 1 11 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.766 0.872 25871 7540 1 11 . 1 1 852 852 LEU H H 852 7.891 7.891 7.586 0.305 25871 7541 1 11 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.645 -0.340 25871 7542 1 11 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.618 3.784 25871 7543 1 11 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.232 0.092 25871 7544 1 11 . 1 1 855 855 ASP N N 855 114.853 114.853 118.518 -3.665 25871 7545 1 11 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.310 0.069 25871 7546 1 11 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.569 -0.511 25871 7547 1 11 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.296 -1.057 25871 7548 1 11 . 1 1 855 855 ASP H H 855 8.796 8.796 8.638 0.158 25871 7549 1 11 . 1 1 856 856 GLN N N 856 121.513 121.513 118.566 2.947 25871 7550 1 11 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.931 0.309 25871 7551 1 11 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.617 -0.233 25871 7552 1 11 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.887 1.456 25871 7553 1 11 . 1 1 856 856 GLN H H 856 7.471 7.471 8.435 -0.964 25871 7554 1 11 . 1 1 857 857 ALA N N 857 122.821 122.821 121.715 1.106 25871 7555 1 11 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.021 -0.191 25871 7556 1 11 . 1 1 857 857 ALA CA C 857 56.405 56.405 56.092 0.313 25871 7557 1 11 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.204 -0.220 25871 7558 1 11 . 1 1 857 857 ALA H H 857 8.889 8.889 8.224 0.665 25871 7559 1 11 . 1 1 858 858 GLU N N 858 114.091 114.091 119.576 -5.485 25871 7560 1 11 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.077 -0.021 25871 7561 1 11 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.445 -0.664 25871 7562 1 11 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.211 -0.544 25871 7563 1 11 . 1 1 858 858 GLU H H 858 8.143 8.143 7.747 0.396 25871 7564 1 11 . 1 1 859 859 TYR N N 859 120.670 120.670 119.283 1.387 25871 7565 1 11 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.184 -0.057 25871 7566 1 11 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.576 -0.428 25871 7567 1 11 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.931 0.807 25871 7568 1 11 . 1 1 859 859 TYR H H 859 7.708 7.708 8.852 -1.144 25871 7569 1 11 . 1 1 860 860 CYS N N 860 115.848 115.848 118.718 -2.870 25871 7570 1 11 . 1 1 860 860 CYS HA H 860 4.188 4.188 3.923 0.265 25871 7571 1 11 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.526 -0.088 25871 7572 1 11 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.110 0.355 25871 7573 1 11 . 1 1 860 860 CYS H H 860 8.119 8.119 8.012 0.107 25871 7574 1 11 . 1 1 861 861 ILE N N 861 120.124 120.124 120.462 -0.338 25871 7575 1 11 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.547 -0.183 25871 7576 1 11 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.769 -0.037 25871 7577 1 11 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.576 1.146 25871 7578 1 11 . 1 1 861 861 ILE H H 861 8.451 8.451 8.340 0.111 25871 7579 1 11 . 1 1 862 862 ALA N N 862 116.691 116.691 119.638 -2.947 25871 7580 1 11 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.013 0.237 25871 7581 1 11 . 1 1 862 862 ALA CA C 862 53.428 53.428 54.211 -0.782 25871 7582 1 11 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.375 0.700 25871 7583 1 11 . 1 1 862 862 ALA H H 862 7.304 7.304 8.072 -0.768 25871 7584 1 11 . 1 1 863 863 ARG N N 863 117.259 117.259 116.255 1.004 25871 7585 1 11 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.213 0.079 25871 7586 1 11 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.481 0.958 25871 7587 1 11 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.253 0.205 25871 7588 1 11 . 1 1 863 863 ARG H H 863 7.357 7.357 7.354 0.003 25871 7589 1 11 . 1 1 864 864 MET N N 864 117.570 117.570 119.384 -1.814 25871 7590 1 11 . 1 1 864 864 MET HA H 864 4.598 4.598 4.090 0.508 25871 7591 1 11 . 1 1 864 864 MET CA C 864 55.180 55.180 56.633 -1.453 25871 7592 1 11 . 1 1 864 864 MET CB C 864 37.428 37.428 33.862 3.566 25871 7593 1 11 . 1 1 864 864 MET H H 864 7.147 7.147 7.853 -0.706 25871 7594 1 11 . 1 1 865 865 ALA N N 865 124.616 124.616 125.650 -1.034 25871 7595 1 11 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.894 -0.961 25871 7596 1 11 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.754 -0.474 25871 7597 1 11 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.496 0.153 25871 7598 1 11 . 1 1 865 865 ALA H H 865 8.548 8.548 8.322 0.226 25871 7599 1 11 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.507 0.012 25871 7600 1 11 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.481 0.340 25871 7601 1 11 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.375 -0.384 25871 7602 1 11 . 1 1 867 867 TYR N N 867 122.454 122.454 123.184 -0.730 25871 7603 1 11 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.825 -0.670 25871 7604 1 11 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.066 -0.115 25871 7605 1 11 . 1 1 867 867 TYR CB C 867 43.347 43.347 41.035 2.312 25871 7606 1 11 . 1 1 867 867 TYR H H 867 8.127 8.127 8.263 -0.136 25871 7607 1 11 . 1 1 869 869 GLY N N 869 105.881 105.881 109.175 -3.294 25871 7608 1 11 . 1 1 869 869 GLY CA C 869 45.090 45.090 42.310 2.780 25871 7609 1 11 . 1 1 869 869 GLY H H 869 5.440 5.440 6.601 -1.161 25871 7610 1 11 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.310 0.051 25871 7611 1 11 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.504 0.337 25871 7612 1 11 . 1 1 870 870 PRO CB C 870 31.630 31.630 32.068 -0.438 25871 7613 1 11 . 1 1 871 871 ASP N N 871 116.217 116.217 119.958 -3.741 25871 7614 1 11 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.880 -0.244 25871 7615 1 11 . 1 1 871 871 ASP CA C 871 52.950 52.950 52.364 0.586 25871 7616 1 11 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.550 -1.400 25871 7617 1 11 . 1 1 871 871 ASP H H 871 9.263 9.263 8.003 1.260 25871 7618 1 11 . 1 1 872 872 SER N N 872 112.352 112.352 114.875 -2.523 25871 7619 1 11 . 1 1 872 872 SER HA H 872 3.530 3.530 4.438 -0.908 25871 7620 1 11 . 1 1 872 872 SER CA C 872 59.184 59.184 58.313 0.871 25871 7621 1 11 . 1 1 872 872 SER CB C 872 63.286 63.286 64.438 -1.152 25871 7622 1 11 . 1 1 872 872 SER H H 872 7.487 7.487 7.580 -0.093 25871 7623 1 11 . 1 1 873 873 VAL N N 873 113.588 113.588 115.159 -1.571 25871 7624 1 11 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.570 0.183 25871 7625 1 11 . 1 1 873 873 VAL CA C 873 58.068 58.068 57.876 0.192 25871 7626 1 11 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.297 -0.380 25871 7627 1 11 . 1 1 873 873 VAL H H 873 6.411 6.411 7.819 -1.408 25871 7628 1 11 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.543 -0.213 25871 7629 1 11 . 1 1 874 874 PRO CA C 874 64.310 64.310 63.364 0.946 25871 7630 1 11 . 1 1 874 874 PRO CB C 874 31.623 31.623 30.178 1.445 25871 7631 1 11 . 1 1 875 875 GLY N N 875 112.109 112.109 107.542 4.567 25871 7632 1 11 . 1 1 875 875 GLY CA C 875 45.492 45.492 45.963 -0.471 25871 7633 1 11 . 1 1 875 875 GLY H H 875 8.798 8.798 8.407 0.391 25871 7634 1 11 . 1 1 876 876 ALA N N 876 120.267 120.267 123.688 -3.421 25871 7635 1 11 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.391 -1.254 25871 7636 1 11 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.407 2.856 25871 7637 1 11 . 1 1 876 876 ALA CB C 876 20.554 20.554 21.492 -0.938 25871 7638 1 11 . 1 1 876 876 ALA H H 876 7.762 7.762 7.659 0.103 25871 7639 1 11 . 1 1 877 877 LEU N N 877 125.696 125.696 122.163 3.533 25871 7640 1 11 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.093 -0.289 25871 7641 1 11 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.891 0.402 25871 7642 1 11 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.477 -1.636 25871 7643 1 11 . 1 1 877 877 LEU H H 877 9.598 9.598 9.327 0.271 25871 7644 1 11 . 1 1 878 878 ASP N N 878 119.836 119.836 122.952 -3.116 25871 7645 1 11 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.023 -0.104 25871 7646 1 11 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.941 -0.811 25871 7647 1 11 . 1 1 878 878 ASP CB C 878 40.798 40.798 41.938 -1.140 25871 7648 1 11 . 1 1 878 878 ASP H H 878 9.028 9.028 8.733 0.295 25871 7649 1 11 . 1 1 879 879 TYR N N 879 126.600 126.600 124.397 2.203 25871 7650 1 11 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.264 0.354 25871 7651 1 11 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.462 0.095 25871 7652 1 11 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.145 -0.621 25871 7653 1 11 . 1 1 879 879 TYR H H 879 7.454 7.454 7.960 -0.506 25871 7654 1 11 . 1 1 880 880 MET N N 880 119.910 119.910 118.084 1.826 25871 7655 1 11 . 1 1 880 880 MET HA H 880 4.619 4.619 3.859 0.760 25871 7656 1 11 . 1 1 880 880 MET CA C 880 56.205 56.205 58.000 -1.795 25871 7657 1 11 . 1 1 880 880 MET CB C 880 32.338 32.338 32.432 -0.094 25871 7658 1 11 . 1 1 880 880 MET H H 880 7.620 7.620 7.216 0.404 25871 7659 1 11 . 1 1 881 881 SER N N 881 114.353 114.353 113.821 0.532 25871 7660 1 11 . 1 1 881 881 SER HA H 881 4.501 4.501 4.312 0.189 25871 7661 1 11 . 1 1 881 881 SER CA C 881 58.957 58.957 59.374 -0.417 25871 7662 1 11 . 1 1 881 881 SER CB C 881 64.284 64.284 63.196 1.088 25871 7663 1 11 . 1 1 881 881 SER H H 881 7.721 7.721 8.244 -0.523 25871 7664 1 11 . 1 1 882 882 PHE N N 882 122.746 122.746 123.657 -0.911 25871 7665 1 11 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.653 0.096 25871 7666 1 11 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.362 -0.911 25871 7667 1 11 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.614 1.682 25871 7668 1 11 . 1 1 882 882 PHE H H 882 7.386 7.386 7.450 -0.064 25871 7669 1 11 . 1 1 883 883 SER N N 883 120.214 120.214 113.435 6.779 25871 7670 1 11 . 1 1 883 883 SER HA H 883 4.338 4.338 3.828 0.510 25871 7671 1 11 . 1 1 883 883 SER CA C 883 57.455 57.455 60.767 -3.312 25871 7672 1 11 . 1 1 883 883 SER CB C 883 64.684 64.684 62.706 1.978 25871 7673 1 11 . 1 1 883 883 SER H H 883 7.464 7.464 8.431 -0.967 25871 7674 1 11 . 1 1 884 884 THR N N 884 110.671 110.671 114.473 -3.802 25871 7675 1 11 . 1 1 884 884 THR HA H 884 4.008 4.008 4.290 -0.282 25871 7676 1 11 . 1 1 884 884 THR CA C 884 63.367 63.367 61.307 2.059 25871 7677 1 11 . 1 1 884 884 THR CB C 884 69.088 69.088 69.379 -0.291 25871 7678 1 11 . 1 1 884 884 THR H H 884 7.993 7.993 7.497 0.496 25871 7679 1 11 . 1 1 885 885 ALA N N 885 125.453 125.453 124.059 1.394 25871 7680 1 11 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.757 -0.487 25871 7681 1 11 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.035 0.125 25871 7682 1 11 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.069 -1.759 25871 7683 1 11 . 1 1 885 885 ALA H H 885 7.905 7.905 7.438 0.467 25871 7684 1 11 . 1 1 886 886 LEU N N 886 120.791 120.791 119.480 1.311 25871 7685 1 11 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.588 -1.541 25871 7686 1 11 . 1 1 886 886 LEU CA C 886 55.496 55.496 53.802 1.694 25871 7687 1 11 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.229 -2.890 25871 7688 1 11 . 1 1 886 886 LEU H H 886 8.087 8.087 8.145 -0.058 25871 7689 1 11 . 1 1 887 887 TYR N N 887 121.620 121.620 118.270 3.350 25871 7690 1 11 . 1 1 887 887 TYR HA H 887 4.403 4.403 5.085 -0.682 25871 7691 1 11 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.426 1.368 25871 7692 1 11 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.095 -0.474 25871 7693 1 11 . 1 1 887 887 TYR H H 887 8.272 8.272 8.434 -0.162 25871 7694 1 11 . 1 1 888 888 GLY N N 888 112.443 112.443 108.969 3.474 25871 7695 1 11 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.224 0.971 25871 7696 1 11 . 1 1 888 888 GLY H H 888 8.087 8.087 7.810 0.277 25871 7697 1 11 . 1 1 889 889 GLU N N 889 120.272 120.272 121.677 -1.405 25871 7698 1 11 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.277 0.018 25871 7699 1 11 . 1 1 889 889 GLU CA C 889 56.593 56.593 57.480 -0.888 25871 7700 1 11 . 1 1 889 889 GLU CB C 889 30.601 30.601 30.059 0.541 25871 7701 1 11 . 1 1 889 889 GLU H H 889 7.991 7.991 8.016 -0.025 25871 7702 1 11 . 1 1 890 890 SER N N 890 116.330 116.330 120.497 -4.167 25871 7703 1 11 . 1 1 890 890 SER HA H 890 4.452 4.452 4.672 -0.220 25871 7704 1 11 . 1 1 890 890 SER CA C 890 58.334 58.334 57.491 0.843 25871 7705 1 11 . 1 1 890 890 SER CB C 890 64.174 64.174 65.236 -1.062 25871 7706 1 11 . 1 1 890 890 SER H H 890 8.325 8.325 8.006 0.319 25871 7707 1 11 . 1 1 891 891 ASP N N 891 122.987 122.987 119.843 3.144 25871 7708 1 11 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.646 0.006 25871 7709 1 11 . 1 1 891 891 ASP CA C 891 54.534 54.534 55.450 -0.916 25871 7710 1 11 . 1 1 891 891 ASP CB C 891 40.981 40.981 41.018 -0.037 25871 7711 1 11 . 1 1 891 891 ASP H H 891 8.387 8.387 8.466 -0.079 25871 7712 1 12 . 1 1 743 743 ILE N N 743 122.085 122.085 123.823 -1.738 25871 7713 1 12 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.290 0.066 25871 7714 1 12 . 1 1 743 743 ILE CA C 743 60.624 60.624 62.002 -1.378 25871 7715 1 12 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.088 0.935 25871 7716 1 12 . 1 1 743 743 ILE H H 743 8.122 8.122 8.679 -0.557 25871 7717 1 12 . 1 1 744 744 SER N N 744 123.378 123.378 123.696 -0.318 25871 7718 1 12 . 1 1 744 744 SER HA H 744 4.472 4.472 4.781 -0.309 25871 7719 1 12 . 1 1 744 744 SER CA C 744 57.581 57.581 57.025 0.556 25871 7720 1 12 . 1 1 744 744 SER CB C 744 65.276 65.276 65.129 0.147 25871 7721 1 12 . 1 1 744 744 SER H H 744 8.844 8.844 8.427 0.417 25871 7722 1 12 . 1 1 745 745 GLN N N 745 121.612 121.612 121.623 -0.011 25871 7723 1 12 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.071 -0.093 25871 7724 1 12 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.350 -0.463 25871 7725 1 12 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.747 -0.221 25871 7726 1 12 . 1 1 745 745 GLN H H 745 9.035 9.035 8.943 0.092 25871 7727 1 12 . 1 1 746 746 GLU N N 746 118.618 118.618 119.499 -0.881 25871 7728 1 12 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.060 -0.026 25871 7729 1 12 . 1 1 746 746 GLU CA C 746 60.297 60.297 59.882 0.415 25871 7730 1 12 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.569 0.376 25871 7731 1 12 . 1 1 746 746 GLU H H 746 8.718 8.718 8.602 0.116 25871 7732 1 12 . 1 1 747 747 GLN N N 747 120.436 120.436 119.152 1.284 25871 7733 1 12 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.003 -0.179 25871 7734 1 12 . 1 1 747 747 GLN CA C 747 58.504 58.504 59.000 -0.496 25871 7735 1 12 . 1 1 747 747 GLN CB C 747 28.955 28.955 28.241 0.713 25871 7736 1 12 . 1 1 747 747 GLN H H 747 7.821 7.821 7.970 -0.149 25871 7737 1 12 . 1 1 748 748 MET N N 748 119.174 119.174 118.037 1.137 25871 7738 1 12 . 1 1 748 748 MET HA H 748 4.228 4.228 4.488 -0.260 25871 7739 1 12 . 1 1 748 748 MET CA C 748 58.305 58.305 59.179 -0.874 25871 7740 1 12 . 1 1 748 748 MET CB C 748 30.922 30.922 32.488 -1.566 25871 7741 1 12 . 1 1 748 748 MET H H 748 8.477 8.477 8.335 0.142 25871 7742 1 12 . 1 1 749 749 ASN N N 749 117.610 117.610 119.313 -1.703 25871 7743 1 12 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.447 0.058 25871 7744 1 12 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.813 -0.851 25871 7745 1 12 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.435 -0.530 25871 7746 1 12 . 1 1 749 749 ASN H H 749 8.302 8.302 8.144 0.158 25871 7747 1 12 . 1 1 750 750 GLU N N 750 122.737 122.737 120.400 2.337 25871 7748 1 12 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.038 0.208 25871 7749 1 12 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.799 0.726 25871 7750 1 12 . 1 1 750 750 GLU CB C 750 29.409 29.409 28.946 0.463 25871 7751 1 12 . 1 1 750 750 GLU H H 750 7.789 7.789 8.058 -0.269 25871 7752 1 12 . 1 1 751 751 PHE N N 751 120.358 120.358 121.376 -1.018 25871 7753 1 12 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.334 0.644 25871 7754 1 12 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.430 -3.787 25871 7755 1 12 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.912 -1.434 25871 7756 1 12 . 1 1 751 751 PHE H H 751 8.772 8.772 8.244 0.528 25871 7757 1 12 . 1 1 752 752 ARG N N 752 120.173 120.173 119.401 0.772 25871 7758 1 12 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.372 -0.225 25871 7759 1 12 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.810 -3.009 25871 7760 1 12 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.098 0.264 25871 7761 1 12 . 1 1 752 752 ARG H H 752 8.990 8.990 8.598 0.392 25871 7762 1 12 . 1 1 753 753 ALA N N 753 120.965 120.965 122.359 -1.394 25871 7763 1 12 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.219 0.036 25871 7764 1 12 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.211 0.214 25871 7765 1 12 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.194 -0.182 25871 7766 1 12 . 1 1 753 753 ALA H H 753 8.136 8.136 8.551 -0.415 25871 7767 1 12 . 1 1 754 754 SER N N 754 115.350 115.350 115.723 -0.373 25871 7768 1 12 . 1 1 754 754 SER HA H 754 4.451 4.451 4.332 0.119 25871 7769 1 12 . 1 1 754 754 SER CA C 754 63.045 63.045 62.416 0.629 25871 7770 1 12 . 1 1 754 754 SER CB C 754 63.111 63.111 63.284 -0.173 25871 7771 1 12 . 1 1 754 754 SER H H 754 8.366 8.366 8.405 -0.039 25871 7772 1 12 . 1 1 755 755 PHE N N 755 121.902 121.902 123.473 -1.571 25871 7773 1 12 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.309 -0.323 25871 7774 1 12 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.298 2.055 25871 7775 1 12 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.139 1.026 25871 7776 1 12 . 1 1 755 755 PHE H H 755 8.498 8.498 8.291 0.207 25871 7777 1 12 . 1 1 756 756 ASN N N 756 114.071 114.071 118.266 -4.195 25871 7778 1 12 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.774 0.756 25871 7779 1 12 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.486 0.318 25871 7780 1 12 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.581 -0.648 25871 7781 1 12 . 1 1 756 756 ASN H H 756 8.722 8.722 8.142 0.580 25871 7782 1 12 . 1 1 757 757 HIS N N 757 119.524 119.524 118.947 0.577 25871 7783 1 12 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.309 -0.187 25871 7784 1 12 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.861 -0.391 25871 7785 1 12 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.290 -0.242 25871 7786 1 12 . 1 1 757 757 HIS H H 757 8.027 8.027 8.321 -0.294 25871 7787 1 12 . 1 1 758 758 PHE N N 758 113.439 113.439 117.537 -4.098 25871 7788 1 12 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.480 -0.373 25871 7789 1 12 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.827 0.241 25871 7790 1 12 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.596 0.392 25871 7791 1 12 . 1 1 758 758 PHE H H 758 7.322 7.322 8.141 -0.819 25871 7792 1 12 . 1 1 759 759 ASP N N 759 121.632 121.632 119.783 1.849 25871 7793 1 12 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.748 -0.132 25871 7794 1 12 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.347 0.261 25871 7795 1 12 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.031 -0.350 25871 7796 1 12 . 1 1 759 759 ASP H H 759 7.439 7.439 8.425 -0.986 25871 7797 1 12 . 1 1 760 760 ARG N N 760 123.429 123.429 122.110 1.319 25871 7798 1 12 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.700 0.125 25871 7799 1 12 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.123 1.508 25871 7800 1 12 . 1 1 760 760 ARG CB C 760 30.073 30.073 29.998 0.075 25871 7801 1 12 . 1 1 760 760 ARG H H 760 7.797 7.797 7.614 0.183 25871 7802 1 12 . 1 1 761 761 ASP N N 761 115.027 115.027 117.833 -2.806 25871 7803 1 12 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.521 -0.040 25871 7804 1 12 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.786 -1.308 25871 7805 1 12 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.125 -1.625 25871 7806 1 12 . 1 1 761 761 ASP H H 761 8.470 8.470 7.676 0.794 25871 7807 1 12 . 1 1 762 762 HIS N N 762 117.442 117.442 116.804 0.638 25871 7808 1 12 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.447 -0.210 25871 7809 1 12 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.890 -0.397 25871 7810 1 12 . 1 1 762 762 HIS CB C 762 26.581 26.581 27.186 -0.605 25871 7811 1 12 . 1 1 762 762 HIS H H 762 7.716 7.716 7.576 0.140 25871 7812 1 12 . 1 1 763 763 SER N N 763 117.624 117.624 114.913 2.711 25871 7813 1 12 . 1 1 763 763 SER HA H 763 4.441 4.441 4.391 0.050 25871 7814 1 12 . 1 1 763 763 SER CA C 763 59.706 59.706 59.703 0.003 25871 7815 1 12 . 1 1 763 763 SER CB C 763 65.228 65.228 64.860 0.368 25871 7816 1 12 . 1 1 763 763 SER H H 763 9.708 9.708 8.234 1.474 25871 7817 1 12 . 1 1 764 764 GLY N N 764 117.320 117.320 112.307 5.013 25871 7818 1 12 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.359 0.400 25871 7819 1 12 . 1 1 764 764 GLY H H 764 11.185 11.185 9.505 1.680 25871 7820 1 12 . 1 1 765 765 THR N N 765 110.392 110.392 111.057 -0.665 25871 7821 1 12 . 1 1 765 765 THR HA H 765 5.197 5.197 5.351 -0.154 25871 7822 1 12 . 1 1 765 765 THR CA C 765 59.125 59.125 60.111 -0.986 25871 7823 1 12 . 1 1 765 765 THR CB C 765 73.022 73.022 72.481 0.541 25871 7824 1 12 . 1 1 765 765 THR H H 765 7.972 7.972 7.914 0.058 25871 7825 1 12 . 1 1 766 766 LEU N N 766 117.658 117.658 118.509 -0.851 25871 7826 1 12 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.773 0.051 25871 7827 1 12 . 1 1 766 766 LEU CA C 766 52.752 52.752 52.739 0.013 25871 7828 1 12 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.912 -1.699 25871 7829 1 12 . 1 1 766 766 LEU H H 766 8.589 8.589 8.479 0.110 25871 7830 1 12 . 1 1 767 767 GLY N N 767 108.644 108.644 107.158 1.486 25871 7831 1 12 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.718 0.219 25871 7832 1 12 . 1 1 767 767 GLY H H 767 8.601 8.601 8.576 0.025 25871 7833 1 12 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.429 -0.148 25871 7834 1 12 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.421 1.452 25871 7835 1 12 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.196 -0.005 25871 7836 1 12 . 1 1 769 769 GLU N N 769 115.170 115.170 118.490 -3.320 25871 7837 1 12 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.982 -0.050 25871 7838 1 12 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.550 0.223 25871 7839 1 12 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.015 -0.187 25871 7840 1 12 . 1 1 769 769 GLU H H 769 8.649 8.649 8.736 -0.087 25871 7841 1 12 . 1 1 770 770 GLU N N 770 121.294 121.294 120.592 0.702 25871 7842 1 12 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.255 -0.142 25871 7843 1 12 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.878 -0.260 25871 7844 1 12 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.247 1.056 25871 7845 1 12 . 1 1 770 770 GLU H H 770 7.846 7.846 8.653 -0.807 25871 7846 1 12 . 1 1 771 771 PHE N N 771 119.292 119.292 118.515 0.777 25871 7847 1 12 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.107 0.135 25871 7848 1 12 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.910 -0.806 25871 7849 1 12 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.932 -0.206 25871 7850 1 12 . 1 1 771 771 PHE H H 771 8.876 8.876 8.220 0.656 25871 7851 1 12 . 1 1 772 772 LYS N N 772 120.139 120.139 120.315 -0.176 25871 7852 1 12 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.959 -0.783 25871 7853 1 12 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.493 0.992 25871 7854 1 12 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.348 -0.664 25871 7855 1 12 . 1 1 772 772 LYS H H 772 8.404 8.404 7.647 0.757 25871 7856 1 12 . 1 1 773 773 ALA N N 773 118.856 118.856 121.684 -2.828 25871 7857 1 12 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.151 -0.359 25871 7858 1 12 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.456 0.511 25871 7859 1 12 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.379 -0.433 25871 7860 1 12 . 1 1 773 773 ALA H H 773 7.180 7.180 8.263 -1.083 25871 7861 1 12 . 1 1 774 774 CYS N N 774 121.600 121.600 116.952 4.648 25871 7862 1 12 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.849 0.337 25871 7863 1 12 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.722 -0.143 25871 7864 1 12 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.668 -0.638 25871 7865 1 12 . 1 1 774 774 CYS H H 774 7.731 7.731 7.682 0.049 25871 7866 1 12 . 1 1 775 775 LEU N N 775 120.029 120.029 120.266 -0.237 25871 7867 1 12 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.607 0.232 25871 7868 1 12 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.525 0.824 25871 7869 1 12 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.256 -0.728 25871 7870 1 12 . 1 1 775 775 LEU H H 775 8.353 8.353 7.015 1.338 25871 7871 1 12 . 1 1 776 776 ILE N N 776 121.900 121.900 118.695 3.205 25871 7872 1 12 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.125 0.104 25871 7873 1 12 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.424 1.099 25871 7874 1 12 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.449 0.812 25871 7875 1 12 . 1 1 776 776 ILE H H 776 8.405 8.405 7.980 0.425 25871 7876 1 12 . 1 1 777 777 SER N N 777 119.490 119.490 115.548 3.942 25871 7877 1 12 . 1 1 777 777 SER HA H 777 4.435 4.435 4.236 0.199 25871 7878 1 12 . 1 1 777 777 SER CA C 777 61.843 61.843 61.395 0.448 25871 7879 1 12 . 1 1 777 777 SER CB C 777 62.953 62.953 62.974 -0.021 25871 7880 1 12 . 1 1 777 777 SER H H 777 8.144 8.144 7.717 0.427 25871 7881 1 12 . 1 1 778 778 LEU N N 778 122.142 122.142 115.200 6.942 25871 7882 1 12 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.330 0.312 25871 7883 1 12 . 1 1 778 778 LEU CA C 778 55.077 55.077 54.838 0.239 25871 7884 1 12 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.792 -0.172 25871 7885 1 12 . 1 1 778 778 LEU H H 778 7.644 7.644 7.646 -0.002 25871 7886 1 12 . 1 1 779 779 GLY N N 779 106.613 106.613 104.396 2.217 25871 7887 1 12 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.509 0.641 25871 7888 1 12 . 1 1 779 779 GLY H H 779 7.982 7.982 7.597 0.385 25871 7889 1 12 . 1 1 780 780 TYR N N 780 121.620 121.620 119.331 2.289 25871 7890 1 12 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.547 -0.382 25871 7891 1 12 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.001 2.372 25871 7892 1 12 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.639 -1.245 25871 7893 1 12 . 1 1 780 780 TYR H H 780 8.174 8.174 7.717 0.457 25871 7894 1 12 . 1 1 781 781 ASP N N 781 124.225 124.225 126.028 -1.803 25871 7895 1 12 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.767 -0.078 25871 7896 1 12 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.618 -0.053 25871 7897 1 12 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.518 0.597 25871 7898 1 12 . 1 1 781 781 ASP H H 781 8.650 8.650 8.967 -0.317 25871 7899 1 12 . 1 1 782 782 ILE N N 782 123.492 123.492 121.632 1.860 25871 7900 1 12 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.308 -0.059 25871 7901 1 12 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.583 -1.093 25871 7902 1 12 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.796 0.629 25871 7903 1 12 . 1 1 782 782 ILE H H 782 7.300 7.300 7.815 -0.515 25871 7904 1 12 . 1 1 783 783 GLY N N 783 113.404 113.404 112.596 0.808 25871 7905 1 12 . 1 1 783 783 GLY CA C 783 44.630 44.630 44.909 -0.279 25871 7906 1 12 . 1 1 783 783 GLY H H 783 8.345 8.345 8.774 -0.429 25871 7907 1 12 . 1 1 784 784 ASN N N 784 119.115 119.115 116.239 2.876 25871 7908 1 12 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.257 0.671 25871 7909 1 12 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.803 -1.748 25871 7910 1 12 . 1 1 784 784 ASN CB C 784 37.467 37.467 37.842 -0.375 25871 7911 1 12 . 1 1 784 784 ASN H H 784 8.476 8.476 8.514 -0.038 25871 7912 1 12 . 1 1 785 785 ASP N N 785 119.675 119.675 119.416 0.259 25871 7913 1 12 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.719 0.101 25871 7914 1 12 . 1 1 785 785 ASP CA C 785 52.365 52.365 53.258 -0.893 25871 7915 1 12 . 1 1 785 785 ASP CB C 785 39.736 39.736 40.932 -1.196 25871 7916 1 12 . 1 1 785 785 ASP H H 785 8.081 8.081 7.915 0.166 25871 7917 1 12 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.334 -0.028 25871 7918 1 12 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.314 0.899 25871 7919 1 12 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.111 -0.131 25871 7920 1 12 . 1 1 787 787 GLN N N 787 118.154 118.154 118.721 -0.567 25871 7921 1 12 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.307 -0.129 25871 7922 1 12 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.155 1.278 25871 7923 1 12 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.497 0.171 25871 7924 1 12 . 1 1 787 787 GLN H H 787 8.413 8.413 8.694 -0.281 25871 7925 1 12 . 1 1 788 788 GLY N N 788 113.343 113.343 109.728 3.615 25871 7926 1 12 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.930 0.521 25871 7927 1 12 . 1 1 788 788 GLY H H 788 8.644 8.644 8.382 0.262 25871 7928 1 12 . 1 1 789 789 GLU N N 789 121.232 121.232 121.864 -0.632 25871 7929 1 12 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.092 0.069 25871 7930 1 12 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.592 -0.159 25871 7931 1 12 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.363 0.278 25871 7932 1 12 . 1 1 789 789 GLU H H 789 8.539 8.539 8.741 -0.202 25871 7933 1 12 . 1 1 790 790 ALA N N 790 122.805 122.805 120.515 2.290 25871 7934 1 12 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.157 0.116 25871 7935 1 12 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.091 -0.143 25871 7936 1 12 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.493 -0.592 25871 7937 1 12 . 1 1 790 790 ALA H H 790 8.035 8.035 7.612 0.423 25871 7938 1 12 . 1 1 791 791 GLU N N 791 122.504 122.504 117.035 5.469 25871 7939 1 12 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.241 0.508 25871 7940 1 12 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.310 1.157 25871 7941 1 12 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.863 -1.284 25871 7942 1 12 . 1 1 791 791 GLU H H 791 8.309 8.309 7.740 0.569 25871 7943 1 12 . 1 1 792 792 PHE N N 792 119.966 119.966 122.236 -2.270 25871 7944 1 12 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.246 -0.048 25871 7945 1 12 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.657 0.962 25871 7946 1 12 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.227 -0.762 25871 7947 1 12 . 1 1 792 792 PHE H H 792 8.835 8.835 8.622 0.213 25871 7948 1 12 . 1 1 793 793 ALA N N 793 119.978 119.978 122.221 -2.243 25871 7949 1 12 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.625 0.281 25871 7950 1 12 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.371 -0.351 25871 7951 1 12 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.072 -0.436 25871 7952 1 12 . 1 1 793 793 ALA H H 793 8.147 8.147 8.393 -0.246 25871 7953 1 12 . 1 1 794 794 ARG N N 794 121.286 121.286 116.197 5.089 25871 7954 1 12 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.086 -0.149 25871 7955 1 12 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.349 1.288 25871 7956 1 12 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.794 0.463 25871 7957 1 12 . 1 1 794 794 ARG H H 794 7.953 7.953 7.698 0.255 25871 7958 1 12 . 1 1 795 795 ILE N N 795 121.594 121.594 121.351 0.243 25871 7959 1 12 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.460 -0.149 25871 7960 1 12 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.958 1.218 25871 7961 1 12 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.941 0.393 25871 7962 1 12 . 1 1 795 795 ILE H H 795 8.091 8.091 7.090 1.001 25871 7963 1 12 . 1 1 796 796 MET N N 796 118.593 118.593 117.425 1.168 25871 7964 1 12 . 1 1 796 796 MET HA H 796 4.266 4.266 3.989 0.277 25871 7965 1 12 . 1 1 796 796 MET CA C 796 56.204 56.204 58.990 -2.786 25871 7966 1 12 . 1 1 796 796 MET CB C 796 29.453 29.453 31.716 -2.263 25871 7967 1 12 . 1 1 796 796 MET H H 796 8.543 8.543 8.123 0.420 25871 7968 1 12 . 1 1 797 797 SER N N 797 114.792 114.792 114.586 0.206 25871 7969 1 12 . 1 1 797 797 SER HA H 797 4.131 4.131 4.264 -0.133 25871 7970 1 12 . 1 1 797 797 SER CA C 797 61.233 61.233 61.534 -0.301 25871 7971 1 12 . 1 1 797 797 SER CB C 797 63.017 63.017 63.082 -0.065 25871 7972 1 12 . 1 1 797 797 SER H H 797 7.740 7.740 7.550 0.190 25871 7973 1 12 . 1 1 798 798 ILE N N 798 121.041 121.041 120.344 0.697 25871 7974 1 12 . 1 1 798 798 ILE HA H 798 3.869 3.869 3.965 -0.096 25871 7975 1 12 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.803 0.136 25871 7976 1 12 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.910 -0.019 25871 7977 1 12 . 1 1 798 798 ILE H H 798 7.352 7.352 7.602 -0.250 25871 7978 1 12 . 1 1 799 799 VAL N N 799 110.418 110.418 111.765 -1.347 25871 7979 1 12 . 1 1 799 799 VAL HA H 799 4.211 4.211 3.990 0.221 25871 7980 1 12 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.421 -0.237 25871 7981 1 12 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.427 -0.017 25871 7982 1 12 . 1 1 799 799 VAL H H 799 7.806 7.806 7.826 -0.020 25871 7983 1 12 . 1 1 800 800 ASP N N 800 119.703 119.703 118.979 0.724 25871 7984 1 12 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.039 0.218 25871 7985 1 12 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.740 -0.006 25871 7986 1 12 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.388 -0.054 25871 7987 1 12 . 1 1 800 800 ASP H H 800 8.124 8.124 7.464 0.660 25871 7988 1 12 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.604 -0.244 25871 7989 1 12 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.087 0.948 25871 7990 1 12 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.217 -0.320 25871 7991 1 12 . 1 1 802 802 ASN N N 802 115.156 115.156 116.474 -1.318 25871 7992 1 12 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.666 0.113 25871 7993 1 12 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.058 0.170 25871 7994 1 12 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.758 -0.544 25871 7995 1 12 . 1 1 802 802 ASN H H 802 8.967 8.967 7.939 1.028 25871 7996 1 12 . 1 1 803 803 ARG N N 803 117.568 117.568 115.672 1.896 25871 7997 1 12 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.152 -0.303 25871 7998 1 12 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.385 0.591 25871 7999 1 12 . 1 1 803 803 ARG CB C 803 26.440 26.440 26.779 -0.339 25871 8000 1 12 . 1 1 803 803 ARG H H 803 8.013 8.013 7.747 0.266 25871 8001 1 12 . 1 1 804 804 LEU N N 804 122.899 122.899 119.934 2.965 25871 8002 1 12 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.210 0.002 25871 8003 1 12 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.861 0.300 25871 8004 1 12 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.242 0.646 25871 8005 1 12 . 1 1 804 804 LEU H H 804 10.338 10.338 8.902 1.436 25871 8006 1 12 . 1 1 805 805 GLY N N 805 110.909 110.909 106.496 4.413 25871 8007 1 12 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.534 -0.253 25871 8008 1 12 . 1 1 805 805 GLY H H 805 10.955 10.955 9.117 1.838 25871 8009 1 12 . 1 1 806 806 VAL N N 806 111.683 111.683 113.823 -2.140 25871 8010 1 12 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.033 -0.450 25871 8011 1 12 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.261 0.154 25871 8012 1 12 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.110 1.193 25871 8013 1 12 . 1 1 806 806 VAL H H 806 6.806 6.806 7.305 -0.499 25871 8014 1 12 . 1 1 807 807 VAL N N 807 123.649 123.649 119.523 4.126 25871 8015 1 12 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.349 -0.163 25871 8016 1 12 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.724 0.957 25871 8017 1 12 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.091 -2.188 25871 8018 1 12 . 1 1 807 807 VAL H H 807 9.156 9.156 8.819 0.337 25871 8019 1 12 . 1 1 808 808 THR N N 808 116.404 116.404 119.312 -2.908 25871 8020 1 12 . 1 1 808 808 THR HA H 808 4.782 4.782 4.804 -0.022 25871 8021 1 12 . 1 1 808 808 THR CA C 808 62.526 62.526 59.547 2.979 25871 8022 1 12 . 1 1 808 808 THR CB C 808 69.707 69.707 70.663 -0.956 25871 8023 1 12 . 1 1 808 808 THR H H 808 7.948 7.948 8.281 -0.333 25871 8024 1 12 . 1 1 809 809 PHE N N 809 121.514 121.514 125.170 -3.656 25871 8025 1 12 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.511 -1.009 25871 8026 1 12 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.646 -0.868 25871 8027 1 12 . 1 1 809 809 PHE CB C 809 38.435 38.435 39.107 -0.672 25871 8028 1 12 . 1 1 809 809 PHE H H 809 8.528 8.528 8.308 0.220 25871 8029 1 12 . 1 1 810 810 GLN N N 810 116.869 116.869 118.289 -1.420 25871 8030 1 12 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.717 -0.096 25871 8031 1 12 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.940 0.608 25871 8032 1 12 . 1 1 810 810 GLN CB C 810 28.397 28.397 28.035 0.362 25871 8033 1 12 . 1 1 810 810 GLN H H 810 8.638 8.638 8.070 0.567 25871 8034 1 12 . 1 1 811 811 ALA N N 811 121.318 121.318 122.679 -1.361 25871 8035 1 12 . 1 1 811 811 ALA HA H 811 4.148 4.148 4.002 0.146 25871 8036 1 12 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.551 0.538 25871 8037 1 12 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.682 0.558 25871 8038 1 12 . 1 1 811 811 ALA H H 811 7.795 7.795 7.647 0.148 25871 8039 1 12 . 1 1 812 812 PHE N N 812 119.498 119.498 116.446 3.052 25871 8040 1 12 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.841 0.336 25871 8041 1 12 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.311 1.186 25871 8042 1 12 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.641 0.385 25871 8043 1 12 . 1 1 812 812 PHE H H 812 8.093 8.093 7.647 0.446 25871 8044 1 12 . 1 1 813 813 ILE N N 813 119.554 119.554 117.292 2.262 25871 8045 1 12 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.601 0.544 25871 8046 1 12 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.913 -0.738 25871 8047 1 12 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.679 0.111 25871 8048 1 12 . 1 1 813 813 ILE H H 813 8.316 8.316 6.477 1.839 25871 8049 1 12 . 1 1 814 814 ASP N N 814 123.772 123.772 120.122 3.650 25871 8050 1 12 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.209 0.031 25871 8051 1 12 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.435 0.468 25871 8052 1 12 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.882 -0.640 25871 8053 1 12 . 1 1 814 814 ASP H H 814 8.434 8.434 7.422 1.012 25871 8054 1 12 . 1 1 815 815 PHE N N 815 121.079 121.079 116.777 4.302 25871 8055 1 12 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.461 -0.288 25871 8056 1 12 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.744 2.381 25871 8057 1 12 . 1 1 815 815 PHE CB C 815 39.292 39.292 37.974 1.318 25871 8058 1 12 . 1 1 815 815 PHE H H 815 7.904 7.904 6.988 0.916 25871 8059 1 12 . 1 1 816 816 MET N N 816 117.231 117.231 121.397 -4.166 25871 8060 1 12 . 1 1 816 816 MET HA H 816 3.864 3.864 4.267 -0.403 25871 8061 1 12 . 1 1 816 816 MET CA C 816 55.934 55.934 57.857 -1.923 25871 8062 1 12 . 1 1 816 816 MET CB C 816 30.451 30.451 30.909 -0.458 25871 8063 1 12 . 1 1 816 816 MET H H 816 8.270 8.270 7.321 0.949 25871 8064 1 12 . 1 1 817 817 SER N N 817 114.308 114.308 114.781 -0.473 25871 8065 1 12 . 1 1 817 817 SER HA H 817 4.209 4.209 4.177 0.032 25871 8066 1 12 . 1 1 817 817 SER CA C 817 60.410 60.410 60.660 -0.249 25871 8067 1 12 . 1 1 817 817 SER CB C 817 63.328 63.328 62.982 0.346 25871 8068 1 12 . 1 1 817 817 SER H H 817 8.100 8.100 7.850 0.250 25871 8069 1 12 . 1 1 818 818 ARG N N 818 121.459 121.459 118.929 2.530 25871 8070 1 12 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.327 -0.163 25871 8071 1 12 . 1 1 818 818 ARG CA C 818 57.468 57.468 58.447 -0.979 25871 8072 1 12 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.784 -0.399 25871 8073 1 12 . 1 1 818 818 ARG H H 818 7.329 7.329 7.930 -0.601 25871 8074 1 12 . 1 1 819 819 GLU N N 819 119.944 119.944 119.425 0.519 25871 8075 1 12 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.314 -0.150 25871 8076 1 12 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.267 -0.799 25871 8077 1 12 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.380 1.146 25871 8078 1 12 . 1 1 819 819 GLU H H 819 8.059 8.059 7.866 0.193 25871 8079 1 12 . 1 1 820 820 THR N N 820 112.658 112.658 116.240 -3.582 25871 8080 1 12 . 1 1 820 820 THR HA H 820 4.309 4.309 4.246 0.063 25871 8081 1 12 . 1 1 820 820 THR CA C 820 62.191 62.191 62.977 -0.786 25871 8082 1 12 . 1 1 820 820 THR CB C 820 69.877 69.877 68.025 1.852 25871 8083 1 12 . 1 1 820 820 THR H H 820 7.789 7.789 8.339 -0.550 25871 8084 1 12 . 1 1 821 821 ALA N N 821 126.145 126.145 123.146 2.999 25871 8085 1 12 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.180 0.152 25871 8086 1 12 . 1 1 821 821 ALA CA C 821 52.816 52.816 53.803 -0.987 25871 8087 1 12 . 1 1 821 821 ALA CB C 821 19.459 19.459 19.135 0.324 25871 8088 1 12 . 1 1 821 821 ALA H H 821 8.003 8.003 7.457 0.546 25871 8089 1 12 . 1 1 822 822 ASP N N 822 120.003 120.003 115.241 4.762 25871 8090 1 12 . 1 1 822 822 ASP HA H 822 4.642 4.642 5.011 -0.369 25871 8091 1 12 . 1 1 822 822 ASP CA C 822 54.439 54.439 53.321 1.118 25871 8092 1 12 . 1 1 822 822 ASP CB C 822 40.866 40.866 44.074 -3.208 25871 8093 1 12 . 1 1 822 822 ASP H H 822 8.330 8.330 7.646 0.684 25871 8094 1 12 . 1 1 823 823 THR N N 823 114.181 114.181 115.218 -1.037 25871 8095 1 12 . 1 1 823 823 THR HA H 823 4.304 4.304 4.556 -0.252 25871 8096 1 12 . 1 1 823 823 THR CA C 823 62.284 62.284 61.703 0.581 25871 8097 1 12 . 1 1 823 823 THR CB C 823 69.738 69.738 70.914 -1.176 25871 8098 1 12 . 1 1 823 823 THR H H 823 8.093 8.093 8.255 -0.162 25871 8099 1 12 . 1 1 824 824 ASP N N 824 123.285 123.285 125.594 -2.309 25871 8100 1 12 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.735 -0.084 25871 8101 1 12 . 1 1 824 824 ASP CA C 824 54.595 54.595 54.039 0.556 25871 8102 1 12 . 1 1 824 824 ASP CB C 824 41.145 41.145 42.027 -0.882 25871 8103 1 12 . 1 1 824 824 ASP H H 824 8.426 8.426 8.432 -0.006 25871 8104 1 12 . 1 1 825 825 THR N N 825 114.970 114.970 115.070 -0.100 25871 8105 1 12 . 1 1 825 825 THR HA H 825 4.313 4.313 4.274 0.039 25871 8106 1 12 . 1 1 825 825 THR CA C 825 62.329 62.329 63.074 -0.745 25871 8107 1 12 . 1 1 825 825 THR CB C 825 69.541 69.541 69.372 0.169 25871 8108 1 12 . 1 1 825 825 THR H H 825 8.157 8.157 8.189 -0.032 25871 8109 1 12 . 1 1 826 826 ALA N N 826 124.991 124.991 123.583 1.408 25871 8110 1 12 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.400 -0.199 25871 8111 1 12 . 1 1 826 826 ALA CA C 826 54.473 54.473 53.930 0.543 25871 8112 1 12 . 1 1 826 826 ALA CB C 826 18.696 18.696 19.480 -0.784 25871 8113 1 12 . 1 1 826 826 ALA H H 826 8.374 8.374 7.770 0.604 25871 8114 1 12 . 1 1 827 827 ASP N N 827 117.795 117.795 119.524 -1.729 25871 8115 1 12 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.281 0.181 25871 8116 1 12 . 1 1 827 827 ASP CA C 827 56.151 56.151 56.810 -0.659 25871 8117 1 12 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.798 0.131 25871 8118 1 12 . 1 1 827 827 ASP H H 827 8.255 8.255 9.100 -0.845 25871 8119 1 12 . 1 1 828 828 GLN N N 828 120.646 120.646 119.166 1.480 25871 8120 1 12 . 1 1 828 828 GLN HA H 828 4.121 4.121 3.862 0.259 25871 8121 1 12 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.805 -0.855 25871 8122 1 12 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.410 0.176 25871 8123 1 12 . 1 1 828 828 GLN H H 828 8.086 8.086 8.365 -0.279 25871 8124 1 12 . 1 1 829 829 VAL N N 829 120.933 120.933 118.578 2.355 25871 8125 1 12 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.533 0.018 25871 8126 1 12 . 1 1 829 829 VAL CA C 829 65.321 65.321 65.346 -0.025 25871 8127 1 12 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.689 0.061 25871 8128 1 12 . 1 1 829 829 VAL H H 829 8.048 8.048 7.587 0.461 25871 8129 1 12 . 1 1 830 830 MET N N 830 119.386 119.386 119.626 -0.240 25871 8130 1 12 . 1 1 830 830 MET HA H 830 4.030 4.030 4.543 -0.513 25871 8131 1 12 . 1 1 830 830 MET CA C 830 58.013 58.013 58.494 -0.481 25871 8132 1 12 . 1 1 830 830 MET CB C 830 32.110 32.110 32.808 -0.698 25871 8133 1 12 . 1 1 830 830 MET H H 830 8.088 8.088 7.598 0.490 25871 8134 1 12 . 1 1 831 831 ALA N N 831 121.027 121.027 122.504 -1.477 25871 8135 1 12 . 1 1 831 831 ALA HA H 831 4.075 4.075 3.995 0.080 25871 8136 1 12 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.252 -0.633 25871 8137 1 12 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.175 -0.049 25871 8138 1 12 . 1 1 831 831 ALA H H 831 7.829 7.829 8.781 -0.952 25871 8139 1 12 . 1 1 832 832 SER N N 832 114.314 114.314 114.981 -0.667 25871 8140 1 12 . 1 1 832 832 SER HA H 832 4.181 4.181 4.043 0.138 25871 8141 1 12 . 1 1 832 832 SER CA C 832 61.039 61.039 62.285 -1.246 25871 8142 1 12 . 1 1 832 832 SER CB C 832 62.671 62.671 62.850 -0.179 25871 8143 1 12 . 1 1 832 832 SER H H 832 7.711 7.711 7.992 -0.281 25871 8144 1 12 . 1 1 833 833 PHE N N 833 121.898 121.898 120.596 1.302 25871 8145 1 12 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.105 0.125 25871 8146 1 12 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.188 -0.754 25871 8147 1 12 . 1 1 833 833 PHE CB C 833 38.249 38.249 37.969 0.280 25871 8148 1 12 . 1 1 833 833 PHE H H 833 7.717 7.717 7.069 0.648 25871 8149 1 12 . 1 1 834 834 LYS N N 834 118.752 118.752 120.582 -1.830 25871 8150 1 12 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.828 -0.206 25871 8151 1 12 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.644 -0.219 25871 8152 1 12 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.321 -0.137 25871 8153 1 12 . 1 1 834 834 LYS H H 834 7.844 7.844 8.124 -0.280 25871 8154 1 12 . 1 1 835 835 ILE N N 835 118.528 118.528 117.917 0.611 25871 8155 1 12 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.734 0.036 25871 8156 1 12 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.865 -1.147 25871 8157 1 12 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.312 -0.406 25871 8158 1 12 . 1 1 835 835 ILE H H 835 7.311 7.311 7.602 -0.291 25871 8159 1 12 . 1 1 836 836 LEU N N 836 121.176 121.176 116.925 4.251 25871 8160 1 12 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.345 -0.355 25871 8161 1 12 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.863 0.303 25871 8162 1 12 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.730 0.766 25871 8163 1 12 . 1 1 836 836 LEU H H 836 7.617 7.617 7.301 0.316 25871 8164 1 12 . 1 1 837 837 ALA N N 837 119.189 119.189 121.385 -2.196 25871 8165 1 12 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.261 -0.337 25871 8166 1 12 . 1 1 837 837 ALA CA C 837 53.417 53.417 53.030 0.387 25871 8167 1 12 . 1 1 837 837 ALA CB C 837 19.392 19.392 17.998 1.394 25871 8168 1 12 . 1 1 837 837 ALA H H 837 8.092 8.092 8.335 -0.243 25871 8169 1 12 . 1 1 838 838 GLY N N 838 106.965 106.965 107.681 -0.716 25871 8170 1 12 . 1 1 838 838 GLY CA C 838 47.029 47.029 46.995 0.034 25871 8171 1 12 . 1 1 838 838 GLY H H 838 7.667 7.667 7.805 -0.138 25871 8172 1 12 . 1 1 839 839 ASP N N 839 122.392 122.392 119.671 2.721 25871 8173 1 12 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.660 -0.143 25871 8174 1 12 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.391 -0.810 25871 8175 1 12 . 1 1 839 839 ASP CB C 839 40.584 40.584 40.987 -0.403 25871 8176 1 12 . 1 1 839 839 ASP H H 839 8.703 8.703 8.347 0.356 25871 8177 1 12 . 1 1 840 840 LYS N N 840 117.603 117.603 117.509 0.094 25871 8178 1 12 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.701 -0.369 25871 8179 1 12 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.791 1.176 25871 8180 1 12 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.205 -1.454 25871 8181 1 12 . 1 1 840 840 LYS H H 840 7.592 7.592 8.119 -0.527 25871 8182 1 12 . 1 1 841 841 ASN N N 841 116.654 116.654 117.067 -0.413 25871 8183 1 12 . 1 1 841 841 ASN HA H 841 4.642 4.642 5.010 -0.368 25871 8184 1 12 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.038 0.658 25871 8185 1 12 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.087 0.169 25871 8186 1 12 . 1 1 841 841 ASN H H 841 8.689 8.689 8.925 -0.236 25871 8187 1 12 . 1 1 842 842 TYR N N 842 112.231 112.231 114.224 -1.993 25871 8188 1 12 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.926 0.087 25871 8189 1 12 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.142 -2.009 25871 8190 1 12 . 1 1 842 842 TYR CB C 842 40.628 40.628 38.988 1.640 25871 8191 1 12 . 1 1 842 842 TYR H H 842 6.638 6.638 7.349 -0.711 25871 8192 1 12 . 1 1 843 843 ILE N N 843 115.455 115.455 118.035 -2.580 25871 8193 1 12 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.235 0.565 25871 8194 1 12 . 1 1 843 843 ILE CA C 843 59.462 59.462 59.166 0.296 25871 8195 1 12 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.670 0.799 25871 8196 1 12 . 1 1 843 843 ILE H H 843 8.626 8.626 8.952 -0.326 25871 8197 1 12 . 1 1 844 844 THR N N 844 117.140 117.140 115.684 1.456 25871 8198 1 12 . 1 1 844 844 THR HA H 844 5.393 5.393 4.789 0.604 25871 8199 1 12 . 1 1 844 844 THR CA C 844 60.380 60.380 59.190 1.190 25871 8200 1 12 . 1 1 844 844 THR CB C 844 71.475 71.475 71.319 0.156 25871 8201 1 12 . 1 1 844 844 THR H H 844 9.329 9.329 7.911 1.418 25871 8202 1 12 . 1 1 845 845 MET N N 845 119.879 119.879 118.571 1.308 25871 8203 1 12 . 1 1 845 845 MET HA H 845 3.852 3.852 4.001 -0.149 25871 8204 1 12 . 1 1 845 845 MET CA C 845 60.389 60.389 60.050 0.339 25871 8205 1 12 . 1 1 845 845 MET CB C 845 33.110 33.110 31.625 1.485 25871 8206 1 12 . 1 1 845 845 MET H H 845 8.555 8.555 9.133 -0.578 25871 8207 1 12 . 1 1 846 846 ASP N N 846 116.360 116.360 118.153 -1.793 25871 8208 1 12 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.439 -0.129 25871 8209 1 12 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.256 0.233 25871 8210 1 12 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.575 0.097 25871 8211 1 12 . 1 1 846 846 ASP H H 846 8.375 8.375 8.335 0.040 25871 8212 1 12 . 1 1 847 847 GLU N N 847 120.575 120.575 118.885 1.690 25871 8213 1 12 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.033 -0.147 25871 8214 1 12 . 1 1 847 847 GLU CA C 847 59.754 59.754 59.105 0.649 25871 8215 1 12 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.711 0.046 25871 8216 1 12 . 1 1 847 847 GLU H H 847 7.852 7.852 7.779 0.073 25871 8217 1 12 . 1 1 848 848 LEU N N 848 118.753 118.753 117.193 1.560 25871 8218 1 12 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.286 -0.426 25871 8219 1 12 . 1 1 848 848 LEU CA C 848 58.683 58.683 57.822 0.861 25871 8220 1 12 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.397 1.127 25871 8221 1 12 . 1 1 848 848 LEU H H 848 7.834 7.834 7.961 -0.127 25871 8222 1 12 . 1 1 849 849 ARG N N 849 113.976 113.976 119.023 -5.047 25871 8223 1 12 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.085 -0.125 25871 8224 1 12 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.429 0.167 25871 8225 1 12 . 1 1 849 849 ARG CB C 849 30.145 30.145 29.951 0.194 25871 8226 1 12 . 1 1 849 849 ARG H H 849 8.055 8.055 7.698 0.357 25871 8227 1 12 . 1 1 850 850 ARG N N 850 118.184 118.184 118.293 -0.109 25871 8228 1 12 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.144 0.087 25871 8229 1 12 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.535 -0.156 25871 8230 1 12 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.677 1.435 25871 8231 1 12 . 1 1 850 850 ARG H H 850 7.739 7.739 7.616 0.123 25871 8232 1 12 . 1 1 851 851 GLU N N 851 115.550 115.550 118.589 -3.039 25871 8233 1 12 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.293 0.087 25871 8234 1 12 . 1 1 851 851 GLU CA C 851 56.994 56.994 57.941 -0.948 25871 8235 1 12 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.945 0.740 25871 8236 1 12 . 1 1 851 851 GLU H H 851 7.591 7.591 7.823 -0.232 25871 8237 1 12 . 1 1 852 852 LEU N N 852 119.170 119.170 119.615 -0.445 25871 8238 1 12 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.888 0.038 25871 8239 1 12 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.097 0.194 25871 8240 1 12 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.719 0.919 25871 8241 1 12 . 1 1 852 852 LEU H H 852 7.891 7.891 7.616 0.275 25871 8242 1 12 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.511 -0.206 25871 8243 1 12 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.511 3.890 25871 8244 1 12 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.258 0.066 25871 8245 1 12 . 1 1 855 855 ASP N N 855 114.853 114.853 118.234 -3.381 25871 8246 1 12 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.327 0.052 25871 8247 1 12 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.327 -0.269 25871 8248 1 12 . 1 1 855 855 ASP CB C 855 39.239 39.239 39.939 -0.700 25871 8249 1 12 . 1 1 855 855 ASP H H 855 8.796 8.796 8.598 0.198 25871 8250 1 12 . 1 1 856 856 GLN N N 856 121.513 121.513 118.686 2.827 25871 8251 1 12 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.949 0.291 25871 8252 1 12 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.474 -0.090 25871 8253 1 12 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.838 1.505 25871 8254 1 12 . 1 1 856 856 GLN H H 856 7.471 7.471 8.393 -0.922 25871 8255 1 12 . 1 1 857 857 ALA N N 857 122.821 122.821 121.756 1.065 25871 8256 1 12 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.001 -0.171 25871 8257 1 12 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.805 0.600 25871 8258 1 12 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.209 -0.225 25871 8259 1 12 . 1 1 857 857 ALA H H 857 8.889 8.889 8.096 0.793 25871 8260 1 12 . 1 1 858 858 GLU N N 858 114.091 114.091 119.548 -5.457 25871 8261 1 12 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.083 -0.027 25871 8262 1 12 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.389 -0.608 25871 8263 1 12 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.618 -0.951 25871 8264 1 12 . 1 1 858 858 GLU H H 858 8.143 8.143 7.704 0.439 25871 8265 1 12 . 1 1 859 859 TYR N N 859 120.670 120.670 119.092 1.578 25871 8266 1 12 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.275 -0.148 25871 8267 1 12 . 1 1 859 859 TYR CA C 859 61.148 61.148 60.995 0.153 25871 8268 1 12 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.927 0.811 25871 8269 1 12 . 1 1 859 859 TYR H H 859 7.708 7.708 8.611 -0.903 25871 8270 1 12 . 1 1 860 860 CYS N N 860 115.848 115.848 119.277 -3.429 25871 8271 1 12 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.018 0.170 25871 8272 1 12 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.194 0.245 25871 8273 1 12 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.449 0.016 25871 8274 1 12 . 1 1 860 860 CYS H H 860 8.119 8.119 8.066 0.053 25871 8275 1 12 . 1 1 861 861 ILE N N 861 120.124 120.124 120.923 -0.799 25871 8276 1 12 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.549 -0.185 25871 8277 1 12 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.845 -0.113 25871 8278 1 12 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.488 1.234 25871 8279 1 12 . 1 1 861 861 ILE H H 861 8.451 8.451 8.450 0.001 25871 8280 1 12 . 1 1 862 862 ALA N N 862 116.691 116.691 120.475 -3.784 25871 8281 1 12 . 1 1 862 862 ALA HA H 862 4.250 4.250 3.919 0.331 25871 8282 1 12 . 1 1 862 862 ALA CA C 862 53.428 53.428 54.355 -0.927 25871 8283 1 12 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.429 0.646 25871 8284 1 12 . 1 1 862 862 ALA H H 862 7.304 7.304 8.095 -0.791 25871 8285 1 12 . 1 1 863 863 ARG N N 863 117.259 117.259 115.684 1.575 25871 8286 1 12 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.242 0.050 25871 8287 1 12 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.252 1.187 25871 8288 1 12 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.061 0.397 25871 8289 1 12 . 1 1 863 863 ARG H H 863 7.357 7.357 7.415 -0.058 25871 8290 1 12 . 1 1 864 864 MET N N 864 117.570 117.570 119.382 -1.812 25871 8291 1 12 . 1 1 864 864 MET HA H 864 4.598 4.598 4.040 0.558 25871 8292 1 12 . 1 1 864 864 MET CA C 864 55.180 55.180 56.584 -1.404 25871 8293 1 12 . 1 1 864 864 MET CB C 864 37.428 37.428 33.759 3.669 25871 8294 1 12 . 1 1 864 864 MET H H 864 7.147 7.147 7.854 -0.707 25871 8295 1 12 . 1 1 865 865 ALA N N 865 124.616 124.616 125.742 -1.126 25871 8296 1 12 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.987 -1.054 25871 8297 1 12 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.550 -0.270 25871 8298 1 12 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.753 -0.104 25871 8299 1 12 . 1 1 865 865 ALA H H 865 8.548 8.548 8.366 0.182 25871 8300 1 12 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.533 -0.014 25871 8301 1 12 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.497 0.324 25871 8302 1 12 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.314 -0.323 25871 8303 1 12 . 1 1 867 867 TYR N N 867 122.454 122.454 123.463 -1.009 25871 8304 1 12 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.635 -0.480 25871 8305 1 12 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.743 -0.792 25871 8306 1 12 . 1 1 867 867 TYR CB C 867 43.347 43.347 40.899 2.448 25871 8307 1 12 . 1 1 867 867 TYR H H 867 8.127 8.127 8.462 -0.335 25871 8308 1 12 . 1 1 869 869 GLY N N 869 105.881 105.881 109.708 -3.827 25871 8309 1 12 . 1 1 869 869 GLY CA C 869 45.090 45.090 42.818 2.272 25871 8310 1 12 . 1 1 869 869 GLY H H 869 5.440 5.440 6.577 -1.137 25871 8311 1 12 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.375 -0.014 25871 8312 1 12 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.561 0.280 25871 8313 1 12 . 1 1 870 870 PRO CB C 870 31.630 31.630 31.978 -0.348 25871 8314 1 12 . 1 1 871 871 ASP N N 871 116.217 116.217 119.354 -3.137 25871 8315 1 12 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.925 -0.289 25871 8316 1 12 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.782 -0.832 25871 8317 1 12 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.936 -1.786 25871 8318 1 12 . 1 1 871 871 ASP H H 871 9.263 9.263 8.217 1.046 25871 8319 1 12 . 1 1 872 872 SER N N 872 112.352 112.352 115.192 -2.840 25871 8320 1 12 . 1 1 872 872 SER HA H 872 3.530 3.530 4.332 -0.802 25871 8321 1 12 . 1 1 872 872 SER CA C 872 59.184 59.184 59.160 0.024 25871 8322 1 12 . 1 1 872 872 SER CB C 872 63.286 63.286 64.207 -0.921 25871 8323 1 12 . 1 1 872 872 SER H H 872 7.487 7.487 7.600 -0.113 25871 8324 1 12 . 1 1 873 873 VAL N N 873 113.588 113.588 114.392 -0.804 25871 8325 1 12 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.710 0.043 25871 8326 1 12 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.255 -0.187 25871 8327 1 12 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.477 -0.560 25871 8328 1 12 . 1 1 873 873 VAL H H 873 6.411 6.411 7.899 -1.488 25871 8329 1 12 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.306 0.024 25871 8330 1 12 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.388 -0.078 25871 8331 1 12 . 1 1 874 874 PRO CB C 874 31.623 31.623 29.945 1.678 25871 8332 1 12 . 1 1 875 875 GLY N N 875 112.109 112.109 112.028 0.081 25871 8333 1 12 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.690 0.802 25871 8334 1 12 . 1 1 875 875 GLY H H 875 8.798 8.798 8.235 0.563 25871 8335 1 12 . 1 1 876 876 ALA N N 876 120.267 120.267 123.703 -3.436 25871 8336 1 12 . 1 1 876 876 ALA HA H 876 4.137 4.137 4.382 -0.245 25871 8337 1 12 . 1 1 876 876 ALA CA C 876 53.263 53.263 53.136 0.127 25871 8338 1 12 . 1 1 876 876 ALA CB C 876 20.554 20.554 20.175 0.379 25871 8339 1 12 . 1 1 876 876 ALA H H 876 7.762 7.762 7.994 -0.232 25871 8340 1 12 . 1 1 877 877 LEU N N 877 125.696 125.696 121.376 4.320 25871 8341 1 12 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.128 -0.324 25871 8342 1 12 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.725 0.567 25871 8343 1 12 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.067 -1.226 25871 8344 1 12 . 1 1 877 877 LEU H H 877 9.598 9.598 9.234 0.364 25871 8345 1 12 . 1 1 878 878 ASP N N 878 119.836 119.836 122.770 -2.934 25871 8346 1 12 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.041 -0.122 25871 8347 1 12 . 1 1 878 878 ASP CA C 878 52.130 52.130 53.038 -0.908 25871 8348 1 12 . 1 1 878 878 ASP CB C 878 40.798 40.798 42.530 -1.732 25871 8349 1 12 . 1 1 878 878 ASP H H 878 9.028 9.028 8.742 0.286 25871 8350 1 12 . 1 1 879 879 TYR N N 879 126.600 126.600 123.221 3.379 25871 8351 1 12 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.505 0.113 25871 8352 1 12 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.987 -0.430 25871 8353 1 12 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.562 -1.038 25871 8354 1 12 . 1 1 879 879 TYR H H 879 7.454 7.454 8.288 -0.834 25871 8355 1 12 . 1 1 880 880 MET N N 880 119.910 119.910 119.015 0.895 25871 8356 1 12 . 1 1 880 880 MET HA H 880 4.619 4.619 3.755 0.864 25871 8357 1 12 . 1 1 880 880 MET CA C 880 56.205 56.205 56.214 -0.009 25871 8358 1 12 . 1 1 880 880 MET CB C 880 32.338 32.338 30.851 1.487 25871 8359 1 12 . 1 1 880 880 MET H H 880 7.620 7.620 7.491 0.129 25871 8360 1 12 . 1 1 881 881 SER N N 881 114.353 114.353 113.303 1.050 25871 8361 1 12 . 1 1 881 881 SER HA H 881 4.501 4.501 4.397 0.104 25871 8362 1 12 . 1 1 881 881 SER CA C 881 58.957 58.957 58.406 0.551 25871 8363 1 12 . 1 1 881 881 SER CB C 881 64.284 64.284 63.191 1.093 25871 8364 1 12 . 1 1 881 881 SER H H 881 7.721 7.721 7.931 -0.210 25871 8365 1 12 . 1 1 882 882 PHE N N 882 122.746 122.746 124.242 -1.496 25871 8366 1 12 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.516 0.233 25871 8367 1 12 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.454 -1.003 25871 8368 1 12 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.787 1.509 25871 8369 1 12 . 1 1 882 882 PHE H H 882 7.386 7.386 7.777 -0.391 25871 8370 1 12 . 1 1 883 883 SER N N 883 120.214 120.214 114.376 5.838 25871 8371 1 12 . 1 1 883 883 SER HA H 883 4.338 4.338 3.847 0.491 25871 8372 1 12 . 1 1 883 883 SER CA C 883 57.455 57.455 60.444 -2.989 25871 8373 1 12 . 1 1 883 883 SER CB C 883 64.684 64.684 62.966 1.718 25871 8374 1 12 . 1 1 883 883 SER H H 883 7.464 7.464 8.633 -1.169 25871 8375 1 12 . 1 1 884 884 THR N N 884 110.671 110.671 110.252 0.419 25871 8376 1 12 . 1 1 884 884 THR HA H 884 4.008 4.008 4.418 -0.410 25871 8377 1 12 . 1 1 884 884 THR CA C 884 63.367 63.367 61.797 1.570 25871 8378 1 12 . 1 1 884 884 THR CB C 884 69.088 69.088 70.382 -1.294 25871 8379 1 12 . 1 1 884 884 THR H H 884 7.993 7.993 7.760 0.233 25871 8380 1 12 . 1 1 885 885 ALA N N 885 125.453 125.453 124.446 1.007 25871 8381 1 12 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.616 -0.346 25871 8382 1 12 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.506 -0.346 25871 8383 1 12 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.300 -1.990 25871 8384 1 12 . 1 1 885 885 ALA H H 885 7.905 7.905 7.396 0.509 25871 8385 1 12 . 1 1 886 886 LEU N N 886 120.791 120.791 117.461 3.330 25871 8386 1 12 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.579 -1.532 25871 8387 1 12 . 1 1 886 886 LEU CA C 886 55.496 55.496 53.764 1.732 25871 8388 1 12 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.063 -2.724 25871 8389 1 12 . 1 1 886 886 LEU H H 886 8.087 8.087 8.145 -0.058 25871 8390 1 12 . 1 1 887 887 TYR N N 887 121.620 121.620 117.402 4.218 25871 8391 1 12 . 1 1 887 887 TYR HA H 887 4.403 4.403 5.048 -0.645 25871 8392 1 12 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.112 1.681 25871 8393 1 12 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.580 -0.959 25871 8394 1 12 . 1 1 887 887 TYR H H 887 8.272 8.272 8.492 -0.220 25871 8395 1 12 . 1 1 888 888 GLY N N 888 112.443 112.443 107.333 5.110 25871 8396 1 12 . 1 1 888 888 GLY CA C 888 45.195 45.195 45.387 -0.192 25871 8397 1 12 . 1 1 888 888 GLY H H 888 8.087 8.087 7.539 0.548 25871 8398 1 12 . 1 1 889 889 GLU N N 889 120.272 120.272 117.966 2.306 25871 8399 1 12 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.477 -0.182 25871 8400 1 12 . 1 1 889 889 GLU CA C 889 56.593 56.593 55.511 1.082 25871 8401 1 12 . 1 1 889 889 GLU CB C 889 30.601 30.601 31.925 -1.324 25871 8402 1 12 . 1 1 889 889 GLU H H 889 7.991 7.991 7.718 0.273 25871 8403 1 12 . 1 1 890 890 SER N N 890 116.330 116.330 119.624 -3.294 25871 8404 1 12 . 1 1 890 890 SER HA H 890 4.452 4.452 4.849 -0.397 25871 8405 1 12 . 1 1 890 890 SER CA C 890 58.334 58.334 57.677 0.657 25871 8406 1 12 . 1 1 890 890 SER CB C 890 64.174 64.174 65.312 -1.138 25871 8407 1 12 . 1 1 890 890 SER H H 890 8.325 8.325 7.998 0.327 25871 8408 1 12 . 1 1 891 891 ASP N N 891 122.987 122.987 120.107 2.880 25871 8409 1 12 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.794 -0.142 25871 8410 1 12 . 1 1 891 891 ASP CA C 891 54.534 54.534 55.276 -0.742 25871 8411 1 12 . 1 1 891 891 ASP CB C 891 40.981 40.981 41.168 -0.187 25871 8412 1 12 . 1 1 891 891 ASP H H 891 8.387 8.387 8.500 -0.113 25871 8413 1 13 . 1 1 743 743 ILE N N 743 122.085 122.085 123.448 -1.363 25871 8414 1 13 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.088 0.268 25871 8415 1 13 . 1 1 743 743 ILE CA C 743 60.624 60.624 62.130 -1.506 25871 8416 1 13 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.676 0.347 25871 8417 1 13 . 1 1 743 743 ILE H H 743 8.122 8.122 7.793 0.329 25871 8418 1 13 . 1 1 744 744 SER N N 744 123.378 123.378 120.431 2.947 25871 8419 1 13 . 1 1 744 744 SER HA H 744 4.472 4.472 4.593 -0.121 25871 8420 1 13 . 1 1 744 744 SER CA C 744 57.581 57.581 57.649 -0.068 25871 8421 1 13 . 1 1 744 744 SER CB C 744 65.276 65.276 65.045 0.231 25871 8422 1 13 . 1 1 744 744 SER H H 744 8.844 8.844 8.276 0.568 25871 8423 1 13 . 1 1 745 745 GLN N N 745 121.612 121.612 122.454 -0.842 25871 8424 1 13 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.027 -0.049 25871 8425 1 13 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.763 -0.875 25871 8426 1 13 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.603 -0.077 25871 8427 1 13 . 1 1 745 745 GLN H H 745 9.035 9.035 8.870 0.165 25871 8428 1 13 . 1 1 746 746 GLU N N 746 118.618 118.618 118.966 -0.348 25871 8429 1 13 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.158 -0.124 25871 8430 1 13 . 1 1 746 746 GLU CA C 746 60.297 60.297 59.110 1.187 25871 8431 1 13 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.636 0.308 25871 8432 1 13 . 1 1 746 746 GLU H H 746 8.718 8.718 8.778 -0.060 25871 8433 1 13 . 1 1 747 747 GLN N N 747 120.436 120.436 119.180 1.256 25871 8434 1 13 . 1 1 747 747 GLN HA H 747 3.824 3.824 3.987 -0.163 25871 8435 1 13 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.797 -0.293 25871 8436 1 13 . 1 1 747 747 GLN CB C 747 28.955 28.955 28.283 0.672 25871 8437 1 13 . 1 1 747 747 GLN H H 747 7.821 7.821 8.216 -0.395 25871 8438 1 13 . 1 1 748 748 MET N N 748 119.174 119.174 117.619 1.555 25871 8439 1 13 . 1 1 748 748 MET HA H 748 4.228 4.228 4.524 -0.296 25871 8440 1 13 . 1 1 748 748 MET CA C 748 58.305 58.305 59.245 -0.940 25871 8441 1 13 . 1 1 748 748 MET CB C 748 30.922 30.922 32.346 -1.424 25871 8442 1 13 . 1 1 748 748 MET H H 748 8.477 8.477 8.703 -0.226 25871 8443 1 13 . 1 1 749 749 ASN N N 749 117.610 117.610 119.501 -1.891 25871 8444 1 13 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.453 0.052 25871 8445 1 13 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.752 -0.789 25871 8446 1 13 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.389 -0.484 25871 8447 1 13 . 1 1 749 749 ASN H H 749 8.302 8.302 8.024 0.278 25871 8448 1 13 . 1 1 750 750 GLU N N 750 122.737 122.737 119.887 2.850 25871 8449 1 13 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.115 0.131 25871 8450 1 13 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.973 0.552 25871 8451 1 13 . 1 1 750 750 GLU CB C 750 29.409 29.409 28.968 0.441 25871 8452 1 13 . 1 1 750 750 GLU H H 750 7.789 7.789 7.942 -0.153 25871 8453 1 13 . 1 1 751 751 PHE N N 751 120.358 120.358 121.633 -1.275 25871 8454 1 13 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.401 0.577 25871 8455 1 13 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.210 -3.567 25871 8456 1 13 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.822 -1.344 25871 8457 1 13 . 1 1 751 751 PHE H H 751 8.772 8.772 8.286 0.486 25871 8458 1 13 . 1 1 752 752 ARG N N 752 120.173 120.173 119.479 0.694 25871 8459 1 13 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.331 -0.184 25871 8460 1 13 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.907 -3.106 25871 8461 1 13 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.120 0.242 25871 8462 1 13 . 1 1 752 752 ARG H H 752 8.990 8.990 8.756 0.234 25871 8463 1 13 . 1 1 753 753 ALA N N 753 120.965 120.965 121.860 -0.895 25871 8464 1 13 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.271 -0.016 25871 8465 1 13 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.133 0.292 25871 8466 1 13 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.250 -0.239 25871 8467 1 13 . 1 1 753 753 ALA H H 753 8.136 8.136 8.497 -0.361 25871 8468 1 13 . 1 1 754 754 SER N N 754 115.350 115.350 116.240 -0.890 25871 8469 1 13 . 1 1 754 754 SER HA H 754 4.451 4.451 4.433 0.018 25871 8470 1 13 . 1 1 754 754 SER CA C 754 63.045 63.045 62.619 0.426 25871 8471 1 13 . 1 1 754 754 SER CB C 754 63.111 63.111 63.413 -0.302 25871 8472 1 13 . 1 1 754 754 SER H H 754 8.366 8.366 8.377 -0.011 25871 8473 1 13 . 1 1 755 755 PHE N N 755 121.902 121.902 122.974 -1.072 25871 8474 1 13 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.334 -0.348 25871 8475 1 13 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.465 1.889 25871 8476 1 13 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.180 0.985 25871 8477 1 13 . 1 1 755 755 PHE H H 755 8.498 8.498 8.383 0.115 25871 8478 1 13 . 1 1 756 756 ASN N N 756 114.071 114.071 117.515 -3.444 25871 8479 1 13 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.756 0.774 25871 8480 1 13 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.299 0.505 25871 8481 1 13 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.523 -0.591 25871 8482 1 13 . 1 1 756 756 ASN H H 756 8.722 8.722 8.054 0.668 25871 8483 1 13 . 1 1 757 757 HIS N N 757 119.524 119.524 118.979 0.545 25871 8484 1 13 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.259 -0.137 25871 8485 1 13 . 1 1 757 757 HIS CA C 757 59.470 59.470 58.556 0.914 25871 8486 1 13 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.277 -0.230 25871 8487 1 13 . 1 1 757 757 HIS H H 757 8.027 8.027 8.159 -0.132 25871 8488 1 13 . 1 1 758 758 PHE N N 758 113.439 113.439 114.392 -0.953 25871 8489 1 13 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.365 -0.258 25871 8490 1 13 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.491 0.577 25871 8491 1 13 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.895 0.093 25871 8492 1 13 . 1 1 758 758 PHE H H 758 7.322 7.322 8.002 -0.680 25871 8493 1 13 . 1 1 759 759 ASP N N 759 121.632 121.632 119.870 1.762 25871 8494 1 13 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.726 -0.110 25871 8495 1 13 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.534 0.074 25871 8496 1 13 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.160 -0.479 25871 8497 1 13 . 1 1 759 759 ASP H H 759 7.439 7.439 8.240 -0.801 25871 8498 1 13 . 1 1 760 760 ARG N N 760 123.429 123.429 120.977 2.452 25871 8499 1 13 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.872 -0.047 25871 8500 1 13 . 1 1 760 760 ARG CA C 760 58.631 58.631 56.981 1.650 25871 8501 1 13 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.176 -0.103 25871 8502 1 13 . 1 1 760 760 ARG H H 760 7.797 7.797 7.630 0.167 25871 8503 1 13 . 1 1 761 761 ASP N N 761 115.027 115.027 117.643 -2.616 25871 8504 1 13 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.603 -0.122 25871 8505 1 13 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.849 -1.371 25871 8506 1 13 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.341 -1.841 25871 8507 1 13 . 1 1 761 761 ASP H H 761 8.470 8.470 7.699 0.771 25871 8508 1 13 . 1 1 762 762 HIS N N 762 117.442 117.442 115.705 1.737 25871 8509 1 13 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.443 -0.206 25871 8510 1 13 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.846 -0.353 25871 8511 1 13 . 1 1 762 762 HIS CB C 762 26.581 26.581 27.025 -0.444 25871 8512 1 13 . 1 1 762 762 HIS H H 762 7.716 7.716 7.606 0.110 25871 8513 1 13 . 1 1 763 763 SER N N 763 117.624 117.624 114.801 2.823 25871 8514 1 13 . 1 1 763 763 SER HA H 763 4.441 4.441 4.453 -0.012 25871 8515 1 13 . 1 1 763 763 SER CA C 763 59.706 59.706 60.203 -0.497 25871 8516 1 13 . 1 1 763 763 SER CB C 763 65.228 65.228 64.284 0.943 25871 8517 1 13 . 1 1 763 763 SER H H 763 9.708 9.708 8.216 1.492 25871 8518 1 13 . 1 1 764 764 GLY N N 764 117.320 117.320 108.047 9.273 25871 8519 1 13 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.870 -0.111 25871 8520 1 13 . 1 1 764 764 GLY H H 764 11.185 11.185 9.311 1.874 25871 8521 1 13 . 1 1 765 765 THR N N 765 110.392 110.392 110.584 -0.192 25871 8522 1 13 . 1 1 765 765 THR HA H 765 5.197 5.197 5.302 -0.105 25871 8523 1 13 . 1 1 765 765 THR CA C 765 59.125 59.125 60.451 -1.326 25871 8524 1 13 . 1 1 765 765 THR CB C 765 73.022 73.022 72.194 0.828 25871 8525 1 13 . 1 1 765 765 THR H H 765 7.972 7.972 7.432 0.540 25871 8526 1 13 . 1 1 766 766 LEU N N 766 117.658 117.658 119.751 -2.093 25871 8527 1 13 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.630 0.194 25871 8528 1 13 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.153 -0.401 25871 8529 1 13 . 1 1 766 766 LEU CB C 766 45.213 45.213 47.066 -1.853 25871 8530 1 13 . 1 1 766 766 LEU H H 766 8.589 8.589 8.487 0.102 25871 8531 1 13 . 1 1 767 767 GLY N N 767 108.644 108.644 107.308 1.336 25871 8532 1 13 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.364 0.572 25871 8533 1 13 . 1 1 767 767 GLY H H 767 8.601 8.601 8.385 0.216 25871 8534 1 13 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.444 -0.163 25871 8535 1 13 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.300 1.573 25871 8536 1 13 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.159 0.032 25871 8537 1 13 . 1 1 769 769 GLU N N 769 115.170 115.170 120.439 -5.269 25871 8538 1 13 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.862 0.070 25871 8539 1 13 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.675 0.098 25871 8540 1 13 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.168 -0.340 25871 8541 1 13 . 1 1 769 769 GLU H H 769 8.649 8.649 8.827 -0.178 25871 8542 1 13 . 1 1 770 770 GLU N N 770 121.294 121.294 120.673 0.621 25871 8543 1 13 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.217 -0.104 25871 8544 1 13 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.860 -0.242 25871 8545 1 13 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.375 0.928 25871 8546 1 13 . 1 1 770 770 GLU H H 770 7.846 7.846 8.131 -0.285 25871 8547 1 13 . 1 1 771 771 PHE N N 771 119.292 119.292 118.660 0.632 25871 8548 1 13 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.126 0.116 25871 8549 1 13 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.544 -0.440 25871 8550 1 13 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.953 -0.227 25871 8551 1 13 . 1 1 771 771 PHE H H 771 8.876 8.876 8.592 0.284 25871 8552 1 13 . 1 1 772 772 LYS N N 772 120.139 120.139 120.554 -0.415 25871 8553 1 13 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.944 -0.768 25871 8554 1 13 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.564 0.921 25871 8555 1 13 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.171 -0.487 25871 8556 1 13 . 1 1 772 772 LYS H H 772 8.404 8.404 7.683 0.721 25871 8557 1 13 . 1 1 773 773 ALA N N 773 118.856 118.856 121.130 -2.274 25871 8558 1 13 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.198 -0.406 25871 8559 1 13 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.192 0.775 25871 8560 1 13 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.426 -0.480 25871 8561 1 13 . 1 1 773 773 ALA H H 773 7.180 7.180 7.955 -0.775 25871 8562 1 13 . 1 1 774 774 CYS N N 774 121.600 121.600 118.272 3.328 25871 8563 1 13 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.678 0.508 25871 8564 1 13 . 1 1 774 774 CYS CA C 774 61.579 61.579 62.264 -0.685 25871 8565 1 13 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.729 -0.699 25871 8566 1 13 . 1 1 774 774 CYS H H 774 7.731 7.731 7.468 0.263 25871 8567 1 13 . 1 1 775 775 LEU N N 775 120.029 120.029 119.179 0.850 25871 8568 1 13 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.607 0.232 25871 8569 1 13 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.345 1.004 25871 8570 1 13 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.125 -0.597 25871 8571 1 13 . 1 1 775 775 LEU H H 775 8.353 8.353 7.204 1.149 25871 8572 1 13 . 1 1 776 776 ILE N N 776 121.900 121.900 118.421 3.479 25871 8573 1 13 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.175 0.054 25871 8574 1 13 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.335 1.188 25871 8575 1 13 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.671 0.590 25871 8576 1 13 . 1 1 776 776 ILE H H 776 8.405 8.405 7.273 1.132 25871 8577 1 13 . 1 1 777 777 SER N N 777 119.490 119.490 116.586 2.904 25871 8578 1 13 . 1 1 777 777 SER HA H 777 4.435 4.435 4.347 0.088 25871 8579 1 13 . 1 1 777 777 SER CA C 777 61.843 61.843 61.253 0.590 25871 8580 1 13 . 1 1 777 777 SER CB C 777 62.953 62.953 62.980 -0.027 25871 8581 1 13 . 1 1 777 777 SER H H 777 8.144 8.144 7.779 0.365 25871 8582 1 13 . 1 1 778 778 LEU N N 778 122.142 122.142 120.228 1.914 25871 8583 1 13 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.540 0.102 25871 8584 1 13 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.177 -0.100 25871 8585 1 13 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.679 -0.060 25871 8586 1 13 . 1 1 778 778 LEU H H 778 7.644 7.644 7.618 0.026 25871 8587 1 13 . 1 1 779 779 GLY N N 779 106.613 106.613 105.738 0.875 25871 8588 1 13 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.580 0.570 25871 8589 1 13 . 1 1 779 779 GLY H H 779 7.982 7.982 7.666 0.316 25871 8590 1 13 . 1 1 780 780 TYR N N 780 121.620 121.620 119.584 2.036 25871 8591 1 13 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.595 -0.430 25871 8592 1 13 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.556 1.817 25871 8593 1 13 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.457 -1.063 25871 8594 1 13 . 1 1 780 780 TYR H H 780 8.174 8.174 7.769 0.405 25871 8595 1 13 . 1 1 781 781 ASP N N 781 124.225 124.225 124.921 -0.696 25871 8596 1 13 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.756 -0.067 25871 8597 1 13 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.788 -0.223 25871 8598 1 13 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.614 0.501 25871 8599 1 13 . 1 1 781 781 ASP H H 781 8.650 8.650 8.918 -0.268 25871 8600 1 13 . 1 1 782 782 ILE N N 782 123.492 123.492 120.714 2.778 25871 8601 1 13 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.354 -0.105 25871 8602 1 13 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.538 -1.048 25871 8603 1 13 . 1 1 782 782 ILE CB C 782 38.425 38.425 36.727 1.698 25871 8604 1 13 . 1 1 782 782 ILE H H 782 7.300 7.300 7.559 -0.259 25871 8605 1 13 . 1 1 783 783 GLY N N 783 113.404 113.404 113.046 0.358 25871 8606 1 13 . 1 1 783 783 GLY CA C 783 44.630 44.630 44.773 -0.143 25871 8607 1 13 . 1 1 783 783 GLY H H 783 8.345 8.345 8.264 0.081 25871 8608 1 13 . 1 1 784 784 ASN N N 784 119.115 119.115 117.337 1.778 25871 8609 1 13 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.297 0.631 25871 8610 1 13 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.958 -1.903 25871 8611 1 13 . 1 1 784 784 ASN CB C 784 37.467 37.467 37.776 -0.309 25871 8612 1 13 . 1 1 784 784 ASN H H 784 8.476 8.476 7.805 0.671 25871 8613 1 13 . 1 1 785 785 ASP N N 785 119.675 119.675 118.167 1.508 25871 8614 1 13 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.999 -0.179 25871 8615 1 13 . 1 1 785 785 ASP CA C 785 52.365 52.365 52.077 0.288 25871 8616 1 13 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.511 -1.775 25871 8617 1 13 . 1 1 785 785 ASP H H 785 8.081 8.081 8.065 0.016 25871 8618 1 13 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.380 -0.074 25871 8619 1 13 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.207 1.006 25871 8620 1 13 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.230 -0.250 25871 8621 1 13 . 1 1 787 787 GLN N N 787 118.154 118.154 118.857 -0.703 25871 8622 1 13 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.284 -0.106 25871 8623 1 13 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.286 1.147 25871 8624 1 13 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.448 0.220 25871 8625 1 13 . 1 1 787 787 GLN H H 787 8.413 8.413 8.699 -0.286 25871 8626 1 13 . 1 1 788 788 GLY N N 788 113.343 113.343 109.262 4.081 25871 8627 1 13 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.795 0.656 25871 8628 1 13 . 1 1 788 788 GLY H H 788 8.644 8.644 8.367 0.277 25871 8629 1 13 . 1 1 789 789 GLU N N 789 121.232 121.232 121.863 -0.631 25871 8630 1 13 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.149 0.012 25871 8631 1 13 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.739 -0.305 25871 8632 1 13 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.478 0.163 25871 8633 1 13 . 1 1 789 789 GLU H H 789 8.539 8.539 8.738 -0.199 25871 8634 1 13 . 1 1 790 790 ALA N N 790 122.805 122.805 120.582 2.223 25871 8635 1 13 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.160 0.113 25871 8636 1 13 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.155 -0.207 25871 8637 1 13 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.473 -0.572 25871 8638 1 13 . 1 1 790 790 ALA H H 790 8.035 8.035 7.667 0.368 25871 8639 1 13 . 1 1 791 791 GLU N N 791 122.504 122.504 117.386 5.118 25871 8640 1 13 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.206 0.543 25871 8641 1 13 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.581 0.886 25871 8642 1 13 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.686 -1.107 25871 8643 1 13 . 1 1 791 791 GLU H H 791 8.309 8.309 7.795 0.514 25871 8644 1 13 . 1 1 792 792 PHE N N 792 119.966 119.966 122.173 -2.207 25871 8645 1 13 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.340 -0.142 25871 8646 1 13 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.358 1.261 25871 8647 1 13 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.378 -0.913 25871 8648 1 13 . 1 1 792 792 PHE H H 792 8.835 8.835 8.420 0.415 25871 8649 1 13 . 1 1 793 793 ALA N N 793 119.978 119.978 122.172 -2.194 25871 8650 1 13 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.586 0.320 25871 8651 1 13 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.105 -0.084 25871 8652 1 13 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.209 -0.573 25871 8653 1 13 . 1 1 793 793 ALA H H 793 8.147 8.147 8.455 -0.308 25871 8654 1 13 . 1 1 794 794 ARG N N 794 121.286 121.286 115.488 5.798 25871 8655 1 13 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.106 -0.169 25871 8656 1 13 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.127 1.509 25871 8657 1 13 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.871 0.386 25871 8658 1 13 . 1 1 794 794 ARG H H 794 7.953 7.953 7.559 0.394 25871 8659 1 13 . 1 1 795 795 ILE N N 795 121.594 121.594 120.745 0.849 25871 8660 1 13 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.460 -0.149 25871 8661 1 13 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.558 1.618 25871 8662 1 13 . 1 1 795 795 ILE CB C 795 38.334 38.334 38.032 0.302 25871 8663 1 13 . 1 1 795 795 ILE H H 795 8.091 8.091 7.068 1.023 25871 8664 1 13 . 1 1 796 796 MET N N 796 118.593 118.593 117.410 1.183 25871 8665 1 13 . 1 1 796 796 MET HA H 796 4.266 4.266 4.031 0.235 25871 8666 1 13 . 1 1 796 796 MET CA C 796 56.204 56.204 59.081 -2.877 25871 8667 1 13 . 1 1 796 796 MET CB C 796 29.453 29.453 31.778 -2.325 25871 8668 1 13 . 1 1 796 796 MET H H 796 8.543 8.543 8.065 0.478 25871 8669 1 13 . 1 1 797 797 SER N N 797 114.792 114.792 113.623 1.169 25871 8670 1 13 . 1 1 797 797 SER HA H 797 4.131 4.131 4.335 -0.204 25871 8671 1 13 . 1 1 797 797 SER CA C 797 61.233 61.233 60.764 0.469 25871 8672 1 13 . 1 1 797 797 SER CB C 797 63.017 63.017 62.928 0.089 25871 8673 1 13 . 1 1 797 797 SER H H 797 7.740 7.740 7.800 -0.060 25871 8674 1 13 . 1 1 798 798 ILE N N 798 121.041 121.041 119.470 1.571 25871 8675 1 13 . 1 1 798 798 ILE HA H 798 3.869 3.869 4.083 -0.214 25871 8676 1 13 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.485 0.454 25871 8677 1 13 . 1 1 798 798 ILE CB C 798 38.891 38.891 39.000 -0.109 25871 8678 1 13 . 1 1 798 798 ILE H H 798 7.352 7.352 7.612 -0.260 25871 8679 1 13 . 1 1 799 799 VAL N N 799 110.418 110.418 111.694 -1.276 25871 8680 1 13 . 1 1 799 799 VAL HA H 799 4.211 4.211 4.084 0.127 25871 8681 1 13 . 1 1 799 799 VAL CA C 799 63.184 63.184 62.759 0.425 25871 8682 1 13 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.277 0.133 25871 8683 1 13 . 1 1 799 799 VAL H H 799 7.806 7.806 7.797 0.009 25871 8684 1 13 . 1 1 800 800 ASP N N 800 119.703 119.703 119.604 0.099 25871 8685 1 13 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.004 0.253 25871 8686 1 13 . 1 1 800 800 ASP CA C 800 51.735 51.735 52.186 -0.451 25871 8687 1 13 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.598 -0.264 25871 8688 1 13 . 1 1 800 800 ASP H H 800 8.124 8.124 7.566 0.558 25871 8689 1 13 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.502 -0.142 25871 8690 1 13 . 1 1 801 801 PRO CA C 801 65.035 65.035 63.967 1.068 25871 8691 1 13 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.127 -0.230 25871 8692 1 13 . 1 1 802 802 ASN N N 802 115.156 115.156 116.360 -1.204 25871 8693 1 13 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.649 0.130 25871 8694 1 13 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.199 0.029 25871 8695 1 13 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.541 -0.327 25871 8696 1 13 . 1 1 802 802 ASN H H 802 8.967 8.967 7.941 1.026 25871 8697 1 13 . 1 1 803 803 ARG N N 803 117.568 117.568 115.263 2.305 25871 8698 1 13 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.149 -0.300 25871 8699 1 13 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.493 0.483 25871 8700 1 13 . 1 1 803 803 ARG CB C 803 26.440 26.440 26.762 -0.322 25871 8701 1 13 . 1 1 803 803 ARG H H 803 8.013 8.013 7.915 0.098 25871 8702 1 13 . 1 1 804 804 LEU N N 804 122.899 122.899 119.990 2.909 25871 8703 1 13 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.193 0.019 25871 8704 1 13 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.991 0.170 25871 8705 1 13 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.200 0.688 25871 8706 1 13 . 1 1 804 804 LEU H H 804 10.338 10.338 8.724 1.614 25871 8707 1 13 . 1 1 805 805 GLY N N 805 110.909 110.909 106.606 4.303 25871 8708 1 13 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.520 -0.239 25871 8709 1 13 . 1 1 805 805 GLY H H 805 10.955 10.955 9.001 1.954 25871 8710 1 13 . 1 1 806 806 VAL N N 806 111.683 111.683 114.162 -2.479 25871 8711 1 13 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.154 -0.571 25871 8712 1 13 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.824 -0.409 25871 8713 1 13 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.696 0.607 25871 8714 1 13 . 1 1 806 806 VAL H H 806 6.806 6.806 7.286 -0.480 25871 8715 1 13 . 1 1 807 807 VAL N N 807 123.649 123.649 120.588 3.061 25871 8716 1 13 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.449 -0.263 25871 8717 1 13 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.784 0.896 25871 8718 1 13 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.723 -2.820 25871 8719 1 13 . 1 1 807 807 VAL H H 807 9.156 9.156 8.916 0.240 25871 8720 1 13 . 1 1 808 808 THR N N 808 116.404 116.404 119.635 -3.231 25871 8721 1 13 . 1 1 808 808 THR HA H 808 4.782 4.782 4.904 -0.122 25871 8722 1 13 . 1 1 808 808 THR CA C 808 62.526 62.526 59.331 3.195 25871 8723 1 13 . 1 1 808 808 THR CB C 808 69.707 69.707 70.802 -1.095 25871 8724 1 13 . 1 1 808 808 THR H H 808 7.948 7.948 8.200 -0.252 25871 8725 1 13 . 1 1 809 809 PHE N N 809 121.514 121.514 125.033 -3.519 25871 8726 1 13 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.467 -0.965 25871 8727 1 13 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.569 -0.791 25871 8728 1 13 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.983 -0.548 25871 8729 1 13 . 1 1 809 809 PHE H H 809 8.528 8.528 8.229 0.299 25871 8730 1 13 . 1 1 810 810 GLN N N 810 116.869 116.869 118.055 -1.186 25871 8731 1 13 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.649 -0.028 25871 8732 1 13 . 1 1 810 810 GLN CA C 810 58.548 58.548 58.321 0.228 25871 8733 1 13 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.807 0.590 25871 8734 1 13 . 1 1 810 810 GLN H H 810 8.638 8.638 8.050 0.588 25871 8735 1 13 . 1 1 811 811 ALA N N 811 121.318 121.318 122.625 -1.307 25871 8736 1 13 . 1 1 811 811 ALA HA H 811 4.148 4.148 4.012 0.136 25871 8737 1 13 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.683 0.406 25871 8738 1 13 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.544 0.696 25871 8739 1 13 . 1 1 811 811 ALA H H 811 7.795 7.795 7.621 0.174 25871 8740 1 13 . 1 1 812 812 PHE N N 812 119.498 119.498 116.728 2.770 25871 8741 1 13 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.886 0.291 25871 8742 1 13 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.559 0.938 25871 8743 1 13 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.581 0.445 25871 8744 1 13 . 1 1 812 812 PHE H H 812 8.093 8.093 7.606 0.487 25871 8745 1 13 . 1 1 813 813 ILE N N 813 119.554 119.554 119.228 0.326 25871 8746 1 13 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.607 0.538 25871 8747 1 13 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.679 -0.504 25871 8748 1 13 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.268 0.522 25871 8749 1 13 . 1 1 813 813 ILE H H 813 8.316 8.316 6.482 1.834 25871 8750 1 13 . 1 1 814 814 ASP N N 814 123.772 123.772 120.368 3.404 25871 8751 1 13 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.172 0.068 25871 8752 1 13 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.454 0.449 25871 8753 1 13 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.922 -0.680 25871 8754 1 13 . 1 1 814 814 ASP H H 814 8.434 8.434 7.599 0.835 25871 8755 1 13 . 1 1 815 815 PHE N N 815 121.079 121.079 115.247 5.832 25871 8756 1 13 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.610 -0.437 25871 8757 1 13 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.593 2.532 25871 8758 1 13 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.589 0.703 25871 8759 1 13 . 1 1 815 815 PHE H H 815 7.904 7.904 7.026 0.878 25871 8760 1 13 . 1 1 816 816 MET N N 816 117.231 117.231 121.745 -4.514 25871 8761 1 13 . 1 1 816 816 MET HA H 816 3.864 3.864 4.654 -0.790 25871 8762 1 13 . 1 1 816 816 MET CA C 816 55.934 55.934 56.638 -0.704 25871 8763 1 13 . 1 1 816 816 MET CB C 816 30.451 30.451 31.327 -0.876 25871 8764 1 13 . 1 1 816 816 MET H H 816 8.270 8.270 7.328 0.942 25871 8765 1 13 . 1 1 817 817 SER N N 817 114.308 114.308 115.241 -0.933 25871 8766 1 13 . 1 1 817 817 SER HA H 817 4.209 4.209 4.222 -0.013 25871 8767 1 13 . 1 1 817 817 SER CA C 817 60.410 60.410 60.870 -0.460 25871 8768 1 13 . 1 1 817 817 SER CB C 817 63.328 63.328 62.819 0.509 25871 8769 1 13 . 1 1 817 817 SER H H 817 8.100 8.100 8.340 -0.240 25871 8770 1 13 . 1 1 818 818 ARG N N 818 121.459 121.459 120.086 1.373 25871 8771 1 13 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.282 -0.118 25871 8772 1 13 . 1 1 818 818 ARG CA C 818 57.468 57.468 58.445 -0.977 25871 8773 1 13 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.395 -0.010 25871 8774 1 13 . 1 1 818 818 ARG H H 818 7.329 7.329 7.524 -0.195 25871 8775 1 13 . 1 1 819 819 GLU N N 819 119.944 119.944 118.559 1.385 25871 8776 1 13 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.260 -0.096 25871 8777 1 13 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.816 -1.348 25871 8778 1 13 . 1 1 819 819 GLU CB C 819 30.526 30.526 30.062 0.464 25871 8779 1 13 . 1 1 819 819 GLU H H 819 8.059 8.059 7.995 0.064 25871 8780 1 13 . 1 1 820 820 THR N N 820 112.658 112.658 113.511 -0.853 25871 8781 1 13 . 1 1 820 820 THR HA H 820 4.309 4.309 4.162 0.147 25871 8782 1 13 . 1 1 820 820 THR CA C 820 62.191 62.191 64.520 -2.329 25871 8783 1 13 . 1 1 820 820 THR CB C 820 69.877 69.877 69.562 0.314 25871 8784 1 13 . 1 1 820 820 THR H H 820 7.789 7.789 7.960 -0.171 25871 8785 1 13 . 1 1 821 821 ALA N N 821 126.145 126.145 122.583 3.562 25871 8786 1 13 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.042 0.290 25871 8787 1 13 . 1 1 821 821 ALA CA C 821 52.816 52.816 52.773 0.043 25871 8788 1 13 . 1 1 821 821 ALA CB C 821 19.459 19.459 16.901 2.558 25871 8789 1 13 . 1 1 821 821 ALA H H 821 8.003 8.003 7.650 0.353 25871 8790 1 13 . 1 1 822 822 ASP N N 822 120.003 120.003 118.172 1.831 25871 8791 1 13 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.523 0.119 25871 8792 1 13 . 1 1 822 822 ASP CA C 822 54.439 54.439 54.148 0.291 25871 8793 1 13 . 1 1 822 822 ASP CB C 822 40.866 40.866 41.948 -1.082 25871 8794 1 13 . 1 1 822 822 ASP H H 822 8.330 8.330 7.679 0.651 25871 8795 1 13 . 1 1 823 823 THR N N 823 114.181 114.181 111.681 2.500 25871 8796 1 13 . 1 1 823 823 THR HA H 823 4.304 4.304 4.398 -0.094 25871 8797 1 13 . 1 1 823 823 THR CA C 823 62.284 62.284 60.159 2.125 25871 8798 1 13 . 1 1 823 823 THR CB C 823 69.738 69.738 68.467 1.271 25871 8799 1 13 . 1 1 823 823 THR H H 823 8.093 8.093 8.179 -0.086 25871 8800 1 13 . 1 1 824 824 ASP N N 824 123.285 123.285 122.954 0.331 25871 8801 1 13 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.532 0.119 25871 8802 1 13 . 1 1 824 824 ASP CA C 824 54.595 54.595 54.863 -0.268 25871 8803 1 13 . 1 1 824 824 ASP CB C 824 41.145 41.145 43.081 -1.936 25871 8804 1 13 . 1 1 824 824 ASP H H 824 8.426 8.426 7.889 0.537 25871 8805 1 13 . 1 1 825 825 THR N N 825 114.970 114.970 116.814 -1.844 25871 8806 1 13 . 1 1 825 825 THR HA H 825 4.313 4.313 4.087 0.227 25871 8807 1 13 . 1 1 825 825 THR CA C 825 62.329 62.329 64.403 -2.074 25871 8808 1 13 . 1 1 825 825 THR CB C 825 69.541 69.541 68.637 0.904 25871 8809 1 13 . 1 1 825 825 THR H H 825 8.157 8.157 8.500 -0.343 25871 8810 1 13 . 1 1 826 826 ALA N N 826 124.991 124.991 123.008 1.983 25871 8811 1 13 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.083 0.118 25871 8812 1 13 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.336 0.137 25871 8813 1 13 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.359 0.337 25871 8814 1 13 . 1 1 826 826 ALA H H 826 8.374 8.374 8.777 -0.403 25871 8815 1 13 . 1 1 827 827 ASP N N 827 117.795 117.795 118.052 -0.257 25871 8816 1 13 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.354 0.108 25871 8817 1 13 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.255 -1.103 25871 8818 1 13 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.999 -0.070 25871 8819 1 13 . 1 1 827 827 ASP H H 827 8.255 8.255 7.875 0.380 25871 8820 1 13 . 1 1 828 828 GLN N N 828 120.646 120.646 118.538 2.108 25871 8821 1 13 . 1 1 828 828 GLN HA H 828 4.121 4.121 3.990 0.131 25871 8822 1 13 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.780 -0.830 25871 8823 1 13 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.631 -0.045 25871 8824 1 13 . 1 1 828 828 GLN H H 828 8.086 8.086 7.513 0.573 25871 8825 1 13 . 1 1 829 829 VAL N N 829 120.933 120.933 118.723 2.210 25871 8826 1 13 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.777 -0.226 25871 8827 1 13 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.395 0.926 25871 8828 1 13 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.823 -0.073 25871 8829 1 13 . 1 1 829 829 VAL H H 829 8.048 8.048 7.577 0.471 25871 8830 1 13 . 1 1 830 830 MET N N 830 119.386 119.386 121.350 -1.964 25871 8831 1 13 . 1 1 830 830 MET HA H 830 4.030 4.030 4.445 -0.415 25871 8832 1 13 . 1 1 830 830 MET CA C 830 58.013 58.013 58.661 -0.648 25871 8833 1 13 . 1 1 830 830 MET CB C 830 32.110 32.110 32.319 -0.209 25871 8834 1 13 . 1 1 830 830 MET H H 830 8.088 8.088 8.112 -0.024 25871 8835 1 13 . 1 1 831 831 ALA N N 831 121.027 121.027 121.106 -0.079 25871 8836 1 13 . 1 1 831 831 ALA HA H 831 4.075 4.075 3.959 0.116 25871 8837 1 13 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.862 -1.244 25871 8838 1 13 . 1 1 831 831 ALA CB C 831 18.126 18.126 17.929 0.197 25871 8839 1 13 . 1 1 831 831 ALA H H 831 7.829 7.829 8.407 -0.578 25871 8840 1 13 . 1 1 832 832 SER N N 832 114.314 114.314 115.095 -0.781 25871 8841 1 13 . 1 1 832 832 SER HA H 832 4.181 4.181 4.113 0.068 25871 8842 1 13 . 1 1 832 832 SER CA C 832 61.039 61.039 61.197 -0.158 25871 8843 1 13 . 1 1 832 832 SER CB C 832 62.671 62.671 62.340 0.331 25871 8844 1 13 . 1 1 832 832 SER H H 832 7.711 7.711 7.357 0.354 25871 8845 1 13 . 1 1 833 833 PHE N N 833 121.898 121.898 122.340 -0.442 25871 8846 1 13 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.173 0.057 25871 8847 1 13 . 1 1 833 833 PHE CA C 833 58.434 58.434 60.086 -1.651 25871 8848 1 13 . 1 1 833 833 PHE CB C 833 38.249 38.249 37.998 0.251 25871 8849 1 13 . 1 1 833 833 PHE H H 833 7.717 7.717 7.177 0.540 25871 8850 1 13 . 1 1 834 834 LYS N N 834 118.752 118.752 120.689 -1.937 25871 8851 1 13 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.812 -0.190 25871 8852 1 13 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.697 -0.272 25871 8853 1 13 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.238 -0.054 25871 8854 1 13 . 1 1 834 834 LYS H H 834 7.844 7.844 8.248 -0.404 25871 8855 1 13 . 1 1 835 835 ILE N N 835 118.528 118.528 117.135 1.393 25871 8856 1 13 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.747 0.023 25871 8857 1 13 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.685 -0.966 25871 8858 1 13 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.209 -0.303 25871 8859 1 13 . 1 1 835 835 ILE H H 835 7.311 7.311 7.463 -0.152 25871 8860 1 13 . 1 1 836 836 LEU N N 836 121.176 121.176 116.897 4.279 25871 8861 1 13 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.422 -0.432 25871 8862 1 13 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.785 0.381 25871 8863 1 13 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.917 0.579 25871 8864 1 13 . 1 1 836 836 LEU H H 836 7.617 7.617 7.311 0.306 25871 8865 1 13 . 1 1 837 837 ALA N N 837 119.189 119.189 121.184 -1.995 25871 8866 1 13 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.333 -0.409 25871 8867 1 13 . 1 1 837 837 ALA CA C 837 53.417 53.417 52.559 0.858 25871 8868 1 13 . 1 1 837 837 ALA CB C 837 19.392 19.392 17.944 1.448 25871 8869 1 13 . 1 1 837 837 ALA H H 837 8.092 8.092 8.388 -0.296 25871 8870 1 13 . 1 1 838 838 GLY N N 838 106.965 106.965 108.029 -1.064 25871 8871 1 13 . 1 1 838 838 GLY CA C 838 47.029 47.029 47.071 -0.042 25871 8872 1 13 . 1 1 838 838 GLY H H 838 7.667 7.667 7.911 -0.244 25871 8873 1 13 . 1 1 839 839 ASP N N 839 122.392 122.392 118.953 3.439 25871 8874 1 13 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.608 -0.091 25871 8875 1 13 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.552 -0.971 25871 8876 1 13 . 1 1 839 839 ASP CB C 839 40.584 40.584 40.969 -0.385 25871 8877 1 13 . 1 1 839 839 ASP H H 839 8.703 8.703 8.163 0.540 25871 8878 1 13 . 1 1 840 840 LYS N N 840 117.603 117.603 117.072 0.531 25871 8879 1 13 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.589 -0.257 25871 8880 1 13 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.941 1.026 25871 8881 1 13 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.375 -1.624 25871 8882 1 13 . 1 1 840 840 LYS H H 840 7.592 7.592 7.884 -0.292 25871 8883 1 13 . 1 1 841 841 ASN N N 841 116.654 116.654 117.510 -0.856 25871 8884 1 13 . 1 1 841 841 ASN HA H 841 4.642 4.642 5.043 -0.401 25871 8885 1 13 . 1 1 841 841 ASN CA C 841 53.696 53.696 52.896 0.800 25871 8886 1 13 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.771 -0.515 25871 8887 1 13 . 1 1 841 841 ASN H H 841 8.689 8.689 8.861 -0.172 25871 8888 1 13 . 1 1 842 842 TYR N N 842 112.231 112.231 114.776 -2.545 25871 8889 1 13 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.930 0.083 25871 8890 1 13 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.217 -2.084 25871 8891 1 13 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.627 1.001 25871 8892 1 13 . 1 1 842 842 TYR H H 842 6.638 6.638 7.275 -0.637 25871 8893 1 13 . 1 1 843 843 ILE N N 843 115.455 115.455 119.748 -4.293 25871 8894 1 13 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.659 0.141 25871 8895 1 13 . 1 1 843 843 ILE CA C 843 59.462 59.462 58.548 0.914 25871 8896 1 13 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.954 0.515 25871 8897 1 13 . 1 1 843 843 ILE H H 843 8.626 8.626 9.114 -0.488 25871 8898 1 13 . 1 1 844 844 THR N N 844 117.140 117.140 116.716 0.424 25871 8899 1 13 . 1 1 844 844 THR HA H 844 5.393 5.393 5.204 0.189 25871 8900 1 13 . 1 1 844 844 THR CA C 844 60.380 60.380 59.852 0.528 25871 8901 1 13 . 1 1 844 844 THR CB C 844 71.475 71.475 71.556 -0.081 25871 8902 1 13 . 1 1 844 844 THR H H 844 9.329 9.329 8.809 0.520 25871 8903 1 13 . 1 1 845 845 MET N N 845 119.879 119.879 119.708 0.171 25871 8904 1 13 . 1 1 845 845 MET HA H 845 3.852 3.852 4.070 -0.218 25871 8905 1 13 . 1 1 845 845 MET CA C 845 60.389 60.389 60.217 0.172 25871 8906 1 13 . 1 1 845 845 MET CB C 845 33.110 33.110 32.243 0.867 25871 8907 1 13 . 1 1 845 845 MET H H 845 8.555 8.555 8.592 -0.037 25871 8908 1 13 . 1 1 846 846 ASP N N 846 116.360 116.360 119.130 -2.770 25871 8909 1 13 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.490 -0.180 25871 8910 1 13 . 1 1 846 846 ASP CA C 846 57.489 57.489 56.427 1.062 25871 8911 1 13 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.898 -0.226 25871 8912 1 13 . 1 1 846 846 ASP H H 846 8.375 8.375 8.328 0.047 25871 8913 1 13 . 1 1 847 847 GLU N N 847 120.575 120.575 119.367 1.208 25871 8914 1 13 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.054 -0.168 25871 8915 1 13 . 1 1 847 847 GLU CA C 847 59.754 59.754 59.089 0.665 25871 8916 1 13 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.930 -0.173 25871 8917 1 13 . 1 1 847 847 GLU H H 847 7.852 7.852 7.895 -0.043 25871 8918 1 13 . 1 1 848 848 LEU N N 848 118.753 118.753 117.185 1.568 25871 8919 1 13 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.260 -0.400 25871 8920 1 13 . 1 1 848 848 LEU CA C 848 58.683 58.683 57.902 0.781 25871 8921 1 13 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.335 1.189 25871 8922 1 13 . 1 1 848 848 LEU H H 848 7.834 7.834 8.213 -0.379 25871 8923 1 13 . 1 1 849 849 ARG N N 849 113.976 113.976 118.718 -4.742 25871 8924 1 13 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.101 -0.141 25871 8925 1 13 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.971 -0.376 25871 8926 1 13 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.012 0.133 25871 8927 1 13 . 1 1 849 849 ARG H H 849 8.055 8.055 7.772 0.283 25871 8928 1 13 . 1 1 850 850 ARG N N 850 118.184 118.184 118.126 0.058 25871 8929 1 13 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.204 0.027 25871 8930 1 13 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.570 -0.191 25871 8931 1 13 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.801 1.312 25871 8932 1 13 . 1 1 850 850 ARG H H 850 7.739 7.739 7.945 -0.206 25871 8933 1 13 . 1 1 851 851 GLU N N 851 115.550 115.550 119.393 -3.843 25871 8934 1 13 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.270 0.110 25871 8935 1 13 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.249 -1.255 25871 8936 1 13 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.773 0.912 25871 8937 1 13 . 1 1 851 851 GLU H H 851 7.591 7.591 7.646 -0.055 25871 8938 1 13 . 1 1 852 852 LEU N N 852 119.170 119.170 119.298 -0.128 25871 8939 1 13 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.874 0.052 25871 8940 1 13 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.221 0.070 25871 8941 1 13 . 1 1 852 852 LEU CB C 852 42.638 42.638 42.084 0.554 25871 8942 1 13 . 1 1 852 852 LEU H H 852 7.891 7.891 7.654 0.237 25871 8943 1 13 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.631 -0.326 25871 8944 1 13 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.218 4.184 25871 8945 1 13 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.248 0.076 25871 8946 1 13 . 1 1 855 855 ASP N N 855 114.853 114.853 118.505 -3.652 25871 8947 1 13 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.283 0.096 25871 8948 1 13 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.542 -0.484 25871 8949 1 13 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.354 -1.115 25871 8950 1 13 . 1 1 855 855 ASP H H 855 8.796 8.796 8.622 0.174 25871 8951 1 13 . 1 1 856 856 GLN N N 856 121.513 121.513 118.497 3.016 25871 8952 1 13 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.901 0.339 25871 8953 1 13 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.524 -0.140 25871 8954 1 13 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.856 1.487 25871 8955 1 13 . 1 1 856 856 GLN H H 856 7.471 7.471 8.374 -0.903 25871 8956 1 13 . 1 1 857 857 ALA N N 857 122.821 122.821 121.856 0.965 25871 8957 1 13 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.032 -0.202 25871 8958 1 13 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.955 0.450 25871 8959 1 13 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.244 -0.260 25871 8960 1 13 . 1 1 857 857 ALA H H 857 8.889 8.889 8.262 0.627 25871 8961 1 13 . 1 1 858 858 GLU N N 858 114.091 114.091 119.502 -5.411 25871 8962 1 13 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.102 -0.046 25871 8963 1 13 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.644 -0.863 25871 8964 1 13 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.607 -0.940 25871 8965 1 13 . 1 1 858 858 GLU H H 858 8.143 8.143 7.648 0.495 25871 8966 1 13 . 1 1 859 859 TYR N N 859 120.670 120.670 119.040 1.630 25871 8967 1 13 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.271 -0.144 25871 8968 1 13 . 1 1 859 859 TYR CA C 859 61.148 61.148 60.869 0.279 25871 8969 1 13 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.814 0.924 25871 8970 1 13 . 1 1 859 859 TYR H H 859 7.708 7.708 8.996 -1.288 25871 8971 1 13 . 1 1 860 860 CYS N N 860 115.848 115.848 119.577 -3.729 25871 8972 1 13 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.046 0.142 25871 8973 1 13 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.102 0.336 25871 8974 1 13 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.418 0.047 25871 8975 1 13 . 1 1 860 860 CYS H H 860 8.119 8.119 8.000 0.119 25871 8976 1 13 . 1 1 861 861 ILE N N 861 120.124 120.124 120.983 -0.859 25871 8977 1 13 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.510 -0.146 25871 8978 1 13 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.800 -0.068 25871 8979 1 13 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.751 0.971 25871 8980 1 13 . 1 1 861 861 ILE H H 861 8.451 8.451 8.351 0.100 25871 8981 1 13 . 1 1 862 862 ALA N N 862 116.691 116.691 119.094 -2.403 25871 8982 1 13 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.102 0.148 25871 8983 1 13 . 1 1 862 862 ALA CA C 862 53.428 53.428 53.899 -0.471 25871 8984 1 13 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.372 0.703 25871 8985 1 13 . 1 1 862 862 ALA H H 862 7.304 7.304 8.082 -0.778 25871 8986 1 13 . 1 1 863 863 ARG N N 863 117.259 117.259 116.039 1.220 25871 8987 1 13 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.111 0.181 25871 8988 1 13 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.371 1.068 25871 8989 1 13 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.827 -0.369 25871 8990 1 13 . 1 1 863 863 ARG H H 863 7.357 7.357 7.536 -0.179 25871 8991 1 13 . 1 1 864 864 MET N N 864 117.570 117.570 120.765 -3.195 25871 8992 1 13 . 1 1 864 864 MET HA H 864 4.598 4.598 4.021 0.577 25871 8993 1 13 . 1 1 864 864 MET CA C 864 55.180 55.180 56.450 -1.270 25871 8994 1 13 . 1 1 864 864 MET CB C 864 37.428 37.428 33.621 3.807 25871 8995 1 13 . 1 1 864 864 MET H H 864 7.147 7.147 7.913 -0.766 25871 8996 1 13 . 1 1 865 865 ALA N N 865 124.616 124.616 128.272 -3.656 25871 8997 1 13 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.749 -0.816 25871 8998 1 13 . 1 1 865 865 ALA CA C 865 49.280 49.280 50.099 -0.819 25871 8999 1 13 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.313 0.336 25871 9000 1 13 . 1 1 865 865 ALA H H 865 8.548 8.548 8.713 -0.165 25871 9001 1 13 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.469 0.050 25871 9002 1 13 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.512 0.309 25871 9003 1 13 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.451 -0.460 25871 9004 1 13 . 1 1 867 867 TYR N N 867 122.454 122.454 122.670 -0.216 25871 9005 1 13 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.633 -0.478 25871 9006 1 13 . 1 1 867 867 TYR CA C 867 56.951 56.951 58.157 -1.206 25871 9007 1 13 . 1 1 867 867 TYR CB C 867 43.347 43.347 41.024 2.323 25871 9008 1 13 . 1 1 867 867 TYR H H 867 8.127 8.127 8.281 -0.154 25871 9009 1 13 . 1 1 869 869 GLY N N 869 105.881 105.881 112.964 -7.083 25871 9010 1 13 . 1 1 869 869 GLY CA C 869 45.090 45.090 45.018 0.072 25871 9011 1 13 . 1 1 869 869 GLY H H 869 5.440 5.440 7.429 -1.989 25871 9012 1 13 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.295 0.066 25871 9013 1 13 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.585 0.257 25871 9014 1 13 . 1 1 870 870 PRO CB C 870 31.630 31.630 32.066 -0.436 25871 9015 1 13 . 1 1 871 871 ASP N N 871 116.217 116.217 118.785 -2.568 25871 9016 1 13 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.902 -0.266 25871 9017 1 13 . 1 1 871 871 ASP CA C 871 52.950 52.950 52.455 0.495 25871 9018 1 13 . 1 1 871 871 ASP CB C 871 39.150 39.150 41.002 -1.852 25871 9019 1 13 . 1 1 871 871 ASP H H 871 9.263 9.263 8.515 0.748 25871 9020 1 13 . 1 1 872 872 SER N N 872 112.352 112.352 115.106 -2.754 25871 9021 1 13 . 1 1 872 872 SER HA H 872 3.530 3.530 4.325 -0.795 25871 9022 1 13 . 1 1 872 872 SER CA C 872 59.184 59.184 58.565 0.619 25871 9023 1 13 . 1 1 872 872 SER CB C 872 63.286 63.286 64.141 -0.855 25871 9024 1 13 . 1 1 872 872 SER H H 872 7.487 7.487 7.610 -0.123 25871 9025 1 13 . 1 1 873 873 VAL N N 873 113.588 113.588 113.860 -0.272 25871 9026 1 13 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.609 0.144 25871 9027 1 13 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.243 -0.175 25871 9028 1 13 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.310 -0.393 25871 9029 1 13 . 1 1 873 873 VAL H H 873 6.411 6.411 7.776 -1.365 25871 9030 1 13 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.485 -0.155 25871 9031 1 13 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.178 0.132 25871 9032 1 13 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.653 -0.030 25871 9033 1 13 . 1 1 875 875 GLY N N 875 112.109 112.109 106.977 5.132 25871 9034 1 13 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.564 0.928 25871 9035 1 13 . 1 1 875 875 GLY H H 875 8.798 8.798 8.097 0.701 25871 9036 1 13 . 1 1 876 876 ALA N N 876 120.267 120.267 124.049 -3.782 25871 9037 1 13 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.320 -1.183 25871 9038 1 13 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.603 2.660 25871 9039 1 13 . 1 1 876 876 ALA CB C 876 20.554 20.554 21.046 -0.492 25871 9040 1 13 . 1 1 876 876 ALA H H 876 7.762 7.762 7.790 -0.028 25871 9041 1 13 . 1 1 877 877 LEU N N 877 125.696 125.696 122.718 2.978 25871 9042 1 13 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.052 -0.248 25871 9043 1 13 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.952 0.340 25871 9044 1 13 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.607 -1.766 25871 9045 1 13 . 1 1 877 877 LEU H H 877 9.598 9.598 9.447 0.151 25871 9046 1 13 . 1 1 878 878 ASP N N 878 119.836 119.836 123.054 -3.218 25871 9047 1 13 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.081 -0.162 25871 9048 1 13 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.910 -0.780 25871 9049 1 13 . 1 1 878 878 ASP CB C 878 40.798 40.798 41.933 -1.135 25871 9050 1 13 . 1 1 878 878 ASP H H 878 9.028 9.028 8.648 0.380 25871 9051 1 13 . 1 1 879 879 TYR N N 879 126.600 126.600 124.252 2.348 25871 9052 1 13 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.324 0.294 25871 9053 1 13 . 1 1 879 879 TYR CA C 879 59.557 59.557 60.465 -0.908 25871 9054 1 13 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.270 -0.746 25871 9055 1 13 . 1 1 879 879 TYR H H 879 7.454 7.454 8.131 -0.677 25871 9056 1 13 . 1 1 880 880 MET N N 880 119.910 119.910 117.406 2.504 25871 9057 1 13 . 1 1 880 880 MET HA H 880 4.619 4.619 3.802 0.817 25871 9058 1 13 . 1 1 880 880 MET CA C 880 56.205 56.205 56.269 -0.064 25871 9059 1 13 . 1 1 880 880 MET CB C 880 32.338 32.338 31.069 1.269 25871 9060 1 13 . 1 1 880 880 MET H H 880 7.620 7.620 7.363 0.257 25871 9061 1 13 . 1 1 881 881 SER N N 881 114.353 114.353 113.346 1.007 25871 9062 1 13 . 1 1 881 881 SER HA H 881 4.501 4.501 4.402 0.099 25871 9063 1 13 . 1 1 881 881 SER CA C 881 58.957 58.957 59.843 -0.886 25871 9064 1 13 . 1 1 881 881 SER CB C 881 64.284 64.284 63.159 1.125 25871 9065 1 13 . 1 1 881 881 SER H H 881 7.721 7.721 7.944 -0.223 25871 9066 1 13 . 1 1 882 882 PHE N N 882 122.746 122.746 122.929 -0.183 25871 9067 1 13 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.845 -0.096 25871 9068 1 13 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.186 -0.735 25871 9069 1 13 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.798 1.498 25871 9070 1 13 . 1 1 882 882 PHE H H 882 7.386 7.386 7.732 -0.346 25871 9071 1 13 . 1 1 883 883 SER N N 883 120.214 120.214 113.363 6.851 25871 9072 1 13 . 1 1 883 883 SER HA H 883 4.338 4.338 3.958 0.380 25871 9073 1 13 . 1 1 883 883 SER CA C 883 57.455 57.455 60.569 -3.114 25871 9074 1 13 . 1 1 883 883 SER CB C 883 64.684 64.684 63.742 0.942 25871 9075 1 13 . 1 1 883 883 SER H H 883 7.464 7.464 8.102 -0.638 25871 9076 1 13 . 1 1 884 884 THR N N 884 110.671 110.671 110.013 0.658 25871 9077 1 13 . 1 1 884 884 THR HA H 884 4.008 4.008 4.318 -0.310 25871 9078 1 13 . 1 1 884 884 THR CA C 884 63.367 63.367 62.299 1.068 25871 9079 1 13 . 1 1 884 884 THR CB C 884 69.088 69.088 69.746 -0.658 25871 9080 1 13 . 1 1 884 884 THR H H 884 7.993 7.993 7.465 0.528 25871 9081 1 13 . 1 1 885 885 ALA N N 885 125.453 125.453 123.991 1.462 25871 9082 1 13 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.810 -0.540 25871 9083 1 13 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.172 -0.012 25871 9084 1 13 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.198 -1.888 25871 9085 1 13 . 1 1 885 885 ALA H H 885 7.905 7.905 7.627 0.278 25871 9086 1 13 . 1 1 886 886 LEU N N 886 120.791 120.791 119.692 1.099 25871 9087 1 13 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.623 -1.576 25871 9088 1 13 . 1 1 886 886 LEU CA C 886 55.496 55.496 54.473 1.023 25871 9089 1 13 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.909 -3.570 25871 9090 1 13 . 1 1 886 886 LEU H H 886 8.087 8.087 8.329 -0.242 25871 9091 1 13 . 1 1 887 887 TYR N N 887 121.620 121.620 115.031 6.589 25871 9092 1 13 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.858 -0.455 25871 9093 1 13 . 1 1 887 887 TYR CA C 887 58.794 58.794 56.892 1.901 25871 9094 1 13 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.783 -1.162 25871 9095 1 13 . 1 1 887 887 TYR H H 887 8.272 8.272 7.866 0.406 25871 9096 1 13 . 1 1 888 888 GLY N N 888 112.443 112.443 110.363 2.080 25871 9097 1 13 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.397 0.798 25871 9098 1 13 . 1 1 888 888 GLY H H 888 8.087 8.087 7.770 0.317 25871 9099 1 13 . 1 1 889 889 GLU N N 889 120.272 120.272 125.672 -5.400 25871 9100 1 13 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.120 0.175 25871 9101 1 13 . 1 1 889 889 GLU CA C 889 56.593 56.593 57.006 -0.413 25871 9102 1 13 . 1 1 889 889 GLU CB C 889 30.601 30.601 30.399 0.202 25871 9103 1 13 . 1 1 889 889 GLU H H 889 7.991 7.991 8.298 -0.307 25871 9104 1 13 . 1 1 890 890 SER N N 890 116.330 116.330 118.381 -2.051 25871 9105 1 13 . 1 1 890 890 SER HA H 890 4.452 4.452 4.344 0.108 25871 9106 1 13 . 1 1 890 890 SER CA C 890 58.334 58.334 59.167 -0.833 25871 9107 1 13 . 1 1 890 890 SER CB C 890 64.174 64.174 63.521 0.653 25871 9108 1 13 . 1 1 890 890 SER H H 890 8.325 8.325 8.699 -0.374 25871 9109 1 13 . 1 1 891 891 ASP N N 891 122.987 122.987 123.045 -0.058 25871 9110 1 13 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.618 0.034 25871 9111 1 13 . 1 1 891 891 ASP CA C 891 54.534 54.534 55.312 -0.778 25871 9112 1 13 . 1 1 891 891 ASP CB C 891 40.981 40.981 41.080 -0.099 25871 9113 1 13 . 1 1 891 891 ASP H H 891 8.387 8.387 8.619 -0.232 25871 9114 1 14 . 1 1 743 743 ILE N N 743 122.085 122.085 123.305 -1.220 25871 9115 1 14 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.117 0.239 25871 9116 1 14 . 1 1 743 743 ILE CA C 743 60.624 60.624 62.098 -1.474 25871 9117 1 14 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.778 0.245 25871 9118 1 14 . 1 1 743 743 ILE H H 743 8.122 8.122 8.295 -0.173 25871 9119 1 14 . 1 1 744 744 SER N N 744 123.378 123.378 122.961 0.417 25871 9120 1 14 . 1 1 744 744 SER HA H 744 4.472 4.472 4.589 -0.117 25871 9121 1 14 . 1 1 744 744 SER CA C 744 57.581 57.581 57.514 0.067 25871 9122 1 14 . 1 1 744 744 SER CB C 744 65.276 65.276 64.675 0.601 25871 9123 1 14 . 1 1 744 744 SER H H 744 8.844 8.844 8.206 0.638 25871 9124 1 14 . 1 1 745 745 GLN N N 745 121.612 121.612 121.515 0.097 25871 9125 1 14 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.079 -0.101 25871 9126 1 14 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.249 -0.362 25871 9127 1 14 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.325 0.201 25871 9128 1 14 . 1 1 745 745 GLN H H 745 9.035 9.035 8.912 0.123 25871 9129 1 14 . 1 1 746 746 GLU N N 746 118.618 118.618 115.786 2.832 25871 9130 1 14 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.104 -0.070 25871 9131 1 14 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.857 1.440 25871 9132 1 14 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.744 0.200 25871 9133 1 14 . 1 1 746 746 GLU H H 746 8.718 8.718 8.880 -0.162 25871 9134 1 14 . 1 1 747 747 GLN N N 747 120.436 120.436 119.489 0.947 25871 9135 1 14 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.056 -0.232 25871 9136 1 14 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.649 -0.145 25871 9137 1 14 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.052 -0.097 25871 9138 1 14 . 1 1 747 747 GLN H H 747 7.821 7.821 7.507 0.314 25871 9139 1 14 . 1 1 748 748 MET N N 748 119.174 119.174 117.948 1.226 25871 9140 1 14 . 1 1 748 748 MET HA H 748 4.228 4.228 4.501 -0.273 25871 9141 1 14 . 1 1 748 748 MET CA C 748 58.305 58.305 59.254 -0.949 25871 9142 1 14 . 1 1 748 748 MET CB C 748 30.922 30.922 32.262 -1.340 25871 9143 1 14 . 1 1 748 748 MET H H 748 8.477 8.477 8.211 0.266 25871 9144 1 14 . 1 1 749 749 ASN N N 749 117.610 117.610 119.484 -1.874 25871 9145 1 14 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.446 0.059 25871 9146 1 14 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.820 -0.858 25871 9147 1 14 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.414 -0.509 25871 9148 1 14 . 1 1 749 749 ASN H H 749 8.302 8.302 8.020 0.282 25871 9149 1 14 . 1 1 750 750 GLU N N 750 122.737 122.737 120.296 2.441 25871 9150 1 14 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.080 0.166 25871 9151 1 14 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.749 0.776 25871 9152 1 14 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.029 0.380 25871 9153 1 14 . 1 1 750 750 GLU H H 750 7.789 7.789 7.820 -0.031 25871 9154 1 14 . 1 1 751 751 PHE N N 751 120.358 120.358 121.071 -0.713 25871 9155 1 14 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.388 0.590 25871 9156 1 14 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.346 -3.704 25871 9157 1 14 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.889 -1.411 25871 9158 1 14 . 1 1 751 751 PHE H H 751 8.772 8.772 8.470 0.301 25871 9159 1 14 . 1 1 752 752 ARG N N 752 120.173 120.173 119.472 0.701 25871 9160 1 14 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.392 -0.245 25871 9161 1 14 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.714 -2.913 25871 9162 1 14 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.172 0.190 25871 9163 1 14 . 1 1 752 752 ARG H H 752 8.990 8.990 8.609 0.381 25871 9164 1 14 . 1 1 753 753 ALA N N 753 120.965 120.965 122.507 -1.542 25871 9165 1 14 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.209 0.046 25871 9166 1 14 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.188 0.237 25871 9167 1 14 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.063 -0.051 25871 9168 1 14 . 1 1 753 753 ALA H H 753 8.136 8.136 8.381 -0.245 25871 9169 1 14 . 1 1 754 754 SER N N 754 115.350 115.350 114.830 0.520 25871 9170 1 14 . 1 1 754 754 SER HA H 754 4.451 4.451 4.325 0.126 25871 9171 1 14 . 1 1 754 754 SER CA C 754 63.045 63.045 61.529 1.516 25871 9172 1 14 . 1 1 754 754 SER CB C 754 63.111 63.111 63.289 -0.178 25871 9173 1 14 . 1 1 754 754 SER H H 754 8.366 8.366 8.485 -0.119 25871 9174 1 14 . 1 1 755 755 PHE N N 755 121.902 121.902 121.839 0.063 25871 9175 1 14 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.316 -0.330 25871 9176 1 14 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.553 1.800 25871 9177 1 14 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.074 1.091 25871 9178 1 14 . 1 1 755 755 PHE H H 755 8.498 8.498 7.990 0.507 25871 9179 1 14 . 1 1 756 756 ASN N N 756 114.071 114.071 118.211 -4.140 25871 9180 1 14 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.851 0.679 25871 9181 1 14 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.492 0.312 25871 9182 1 14 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.513 -0.580 25871 9183 1 14 . 1 1 756 756 ASN H H 756 8.722 8.722 8.252 0.470 25871 9184 1 14 . 1 1 757 757 HIS N N 757 119.524 119.524 120.206 -0.682 25871 9185 1 14 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.341 -0.219 25871 9186 1 14 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.410 0.060 25871 9187 1 14 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.193 -0.146 25871 9188 1 14 . 1 1 757 757 HIS H H 757 8.027 8.027 8.156 -0.129 25871 9189 1 14 . 1 1 758 758 PHE N N 758 113.439 113.439 116.345 -2.906 25871 9190 1 14 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.446 -0.339 25871 9191 1 14 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.801 0.267 25871 9192 1 14 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.797 0.190 25871 9193 1 14 . 1 1 758 758 PHE H H 758 7.322 7.322 7.977 -0.655 25871 9194 1 14 . 1 1 759 759 ASP N N 759 121.632 121.632 119.590 2.042 25871 9195 1 14 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.729 -0.113 25871 9196 1 14 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.316 0.292 25871 9197 1 14 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.232 -0.551 25871 9198 1 14 . 1 1 759 759 ASP H H 759 7.439 7.439 8.449 -1.010 25871 9199 1 14 . 1 1 760 760 ARG N N 760 123.429 123.429 122.434 0.995 25871 9200 1 14 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.791 0.034 25871 9201 1 14 . 1 1 760 760 ARG CA C 760 58.631 58.631 56.386 2.245 25871 9202 1 14 . 1 1 760 760 ARG CB C 760 30.073 30.073 29.542 0.531 25871 9203 1 14 . 1 1 760 760 ARG H H 760 7.797 7.797 7.691 0.106 25871 9204 1 14 . 1 1 761 761 ASP N N 761 115.027 115.027 117.298 -2.271 25871 9205 1 14 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.529 -0.048 25871 9206 1 14 . 1 1 761 761 ASP CA C 761 52.478 52.478 54.031 -1.553 25871 9207 1 14 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.271 -1.771 25871 9208 1 14 . 1 1 761 761 ASP H H 761 8.470 8.470 7.683 0.787 25871 9209 1 14 . 1 1 762 762 HIS N N 762 117.442 117.442 116.758 0.684 25871 9210 1 14 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.446 -0.209 25871 9211 1 14 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.863 -0.370 25871 9212 1 14 . 1 1 762 762 HIS CB C 762 26.581 26.581 27.110 -0.529 25871 9213 1 14 . 1 1 762 762 HIS H H 762 7.716 7.716 7.616 0.100 25871 9214 1 14 . 1 1 763 763 SER N N 763 117.624 117.624 114.985 2.639 25871 9215 1 14 . 1 1 763 763 SER HA H 763 4.441 4.441 4.378 0.063 25871 9216 1 14 . 1 1 763 763 SER CA C 763 59.706 59.706 59.783 -0.077 25871 9217 1 14 . 1 1 763 763 SER CB C 763 65.228 65.228 64.830 0.398 25871 9218 1 14 . 1 1 763 763 SER H H 763 9.708 9.708 8.288 1.420 25871 9219 1 14 . 1 1 764 764 GLY N N 764 117.320 117.320 111.834 5.486 25871 9220 1 14 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.451 0.308 25871 9221 1 14 . 1 1 764 764 GLY H H 764 11.185 11.185 9.595 1.590 25871 9222 1 14 . 1 1 765 765 THR N N 765 110.392 110.392 111.598 -1.206 25871 9223 1 14 . 1 1 765 765 THR HA H 765 5.197 5.197 5.336 -0.139 25871 9224 1 14 . 1 1 765 765 THR CA C 765 59.125 59.125 60.537 -1.412 25871 9225 1 14 . 1 1 765 765 THR CB C 765 73.022 73.022 72.307 0.715 25871 9226 1 14 . 1 1 765 765 THR H H 765 7.972 7.972 7.922 0.050 25871 9227 1 14 . 1 1 766 766 LEU N N 766 117.658 117.658 118.370 -0.712 25871 9228 1 14 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.785 0.039 25871 9229 1 14 . 1 1 766 766 LEU CA C 766 52.752 52.752 52.861 -0.109 25871 9230 1 14 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.876 -1.663 25871 9231 1 14 . 1 1 766 766 LEU H H 766 8.589 8.589 8.436 0.153 25871 9232 1 14 . 1 1 767 767 GLY N N 767 108.644 108.644 107.384 1.260 25871 9233 1 14 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.806 0.130 25871 9234 1 14 . 1 1 767 767 GLY H H 767 8.601 8.601 8.564 0.037 25871 9235 1 14 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.394 -0.113 25871 9236 1 14 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.504 1.369 25871 9237 1 14 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.149 0.042 25871 9238 1 14 . 1 1 769 769 GLU N N 769 115.170 115.170 119.352 -4.182 25871 9239 1 14 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.923 0.009 25871 9240 1 14 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.373 0.399 25871 9241 1 14 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.114 -0.286 25871 9242 1 14 . 1 1 769 769 GLU H H 769 8.649 8.649 8.818 -0.169 25871 9243 1 14 . 1 1 770 770 GLU N N 770 121.294 121.294 120.814 0.480 25871 9244 1 14 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.198 -0.085 25871 9245 1 14 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.279 0.339 25871 9246 1 14 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.107 1.196 25871 9247 1 14 . 1 1 770 770 GLU H H 770 7.846 7.846 8.168 -0.322 25871 9248 1 14 . 1 1 771 771 PHE N N 771 119.292 119.292 118.542 0.750 25871 9249 1 14 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.127 0.115 25871 9250 1 14 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.815 -0.711 25871 9251 1 14 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.899 -0.173 25871 9252 1 14 . 1 1 771 771 PHE H H 771 8.876 8.876 8.425 0.451 25871 9253 1 14 . 1 1 772 772 LYS N N 772 120.139 120.139 120.523 -0.384 25871 9254 1 14 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.984 -0.808 25871 9255 1 14 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.360 1.125 25871 9256 1 14 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.306 -0.622 25871 9257 1 14 . 1 1 772 772 LYS H H 772 8.404 8.404 7.593 0.811 25871 9258 1 14 . 1 1 773 773 ALA N N 773 118.856 118.856 122.054 -3.198 25871 9259 1 14 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.162 -0.370 25871 9260 1 14 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.412 0.555 25871 9261 1 14 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.261 -0.315 25871 9262 1 14 . 1 1 773 773 ALA H H 773 7.180 7.180 8.213 -1.033 25871 9263 1 14 . 1 1 774 774 CYS N N 774 121.600 121.600 116.483 5.117 25871 9264 1 14 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.920 0.266 25871 9265 1 14 . 1 1 774 774 CYS CA C 774 61.579 61.579 60.856 0.723 25871 9266 1 14 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.483 -0.453 25871 9267 1 14 . 1 1 774 774 CYS H H 774 7.731 7.731 7.486 0.245 25871 9268 1 14 . 1 1 775 775 LEU N N 775 120.029 120.029 120.193 -0.164 25871 9269 1 14 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.653 0.186 25871 9270 1 14 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.141 1.208 25871 9271 1 14 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.524 -0.996 25871 9272 1 14 . 1 1 775 775 LEU H H 775 8.353 8.353 7.094 1.259 25871 9273 1 14 . 1 1 776 776 ILE N N 776 121.900 121.900 120.427 1.473 25871 9274 1 14 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.036 0.193 25871 9275 1 14 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.560 0.963 25871 9276 1 14 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.628 0.633 25871 9277 1 14 . 1 1 776 776 ILE H H 776 8.405 8.405 7.331 1.074 25871 9278 1 14 . 1 1 777 777 SER N N 777 119.490 119.490 114.356 5.134 25871 9279 1 14 . 1 1 777 777 SER HA H 777 4.435 4.435 4.262 0.173 25871 9280 1 14 . 1 1 777 777 SER CA C 777 61.843 61.843 61.313 0.530 25871 9281 1 14 . 1 1 777 777 SER CB C 777 62.953 62.953 63.047 -0.094 25871 9282 1 14 . 1 1 777 777 SER H H 777 8.144 8.144 7.642 0.502 25871 9283 1 14 . 1 1 778 778 LEU N N 778 122.142 122.142 118.452 3.690 25871 9284 1 14 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.473 0.169 25871 9285 1 14 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.355 -0.278 25871 9286 1 14 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.846 -0.226 25871 9287 1 14 . 1 1 778 778 LEU H H 778 7.644 7.644 7.872 -0.228 25871 9288 1 14 . 1 1 779 779 GLY N N 779 106.613 106.613 105.330 1.283 25871 9289 1 14 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.558 0.592 25871 9290 1 14 . 1 1 779 779 GLY H H 779 7.982 7.982 7.481 0.501 25871 9291 1 14 . 1 1 780 780 TYR N N 780 121.620 121.620 119.568 2.052 25871 9292 1 14 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.524 -0.359 25871 9293 1 14 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.372 2.001 25871 9294 1 14 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.322 -0.928 25871 9295 1 14 . 1 1 780 780 TYR H H 780 8.174 8.174 7.817 0.357 25871 9296 1 14 . 1 1 781 781 ASP N N 781 124.225 124.225 126.158 -1.933 25871 9297 1 14 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.748 -0.059 25871 9298 1 14 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.598 -0.033 25871 9299 1 14 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.500 0.615 25871 9300 1 14 . 1 1 781 781 ASP H H 781 8.650 8.650 8.903 -0.253 25871 9301 1 14 . 1 1 782 782 ILE N N 782 123.492 123.492 120.846 2.646 25871 9302 1 14 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.264 -0.015 25871 9303 1 14 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.620 -1.130 25871 9304 1 14 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.483 0.943 25871 9305 1 14 . 1 1 782 782 ILE H H 782 7.300 7.300 7.720 -0.420 25871 9306 1 14 . 1 1 783 783 GLY N N 783 113.404 113.404 112.876 0.528 25871 9307 1 14 . 1 1 783 783 GLY CA C 783 44.630 44.630 44.755 -0.125 25871 9308 1 14 . 1 1 783 783 GLY H H 783 8.345 8.345 8.615 -0.270 25871 9309 1 14 . 1 1 784 784 ASN N N 784 119.115 119.115 115.340 3.775 25871 9310 1 14 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.240 0.688 25871 9311 1 14 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.879 -1.824 25871 9312 1 14 . 1 1 784 784 ASN CB C 784 37.467 37.467 37.034 0.433 25871 9313 1 14 . 1 1 784 784 ASN H H 784 8.476 8.476 8.453 0.023 25871 9314 1 14 . 1 1 785 785 ASP N N 785 119.675 119.675 119.346 0.329 25871 9315 1 14 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.796 0.024 25871 9316 1 14 . 1 1 785 785 ASP CA C 785 52.365 52.365 53.340 -0.975 25871 9317 1 14 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.239 -1.503 25871 9318 1 14 . 1 1 785 785 ASP H H 785 8.081 8.081 7.916 0.165 25871 9319 1 14 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.257 0.049 25871 9320 1 14 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.492 0.721 25871 9321 1 14 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.070 -0.090 25871 9322 1 14 . 1 1 787 787 GLN N N 787 118.154 118.154 118.052 0.102 25871 9323 1 14 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.168 0.010 25871 9324 1 14 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.886 0.547 25871 9325 1 14 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.602 0.066 25871 9326 1 14 . 1 1 787 787 GLN H H 787 8.413 8.413 8.609 -0.196 25871 9327 1 14 . 1 1 788 788 GLY N N 788 113.343 113.343 109.809 3.534 25871 9328 1 14 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.827 0.624 25871 9329 1 14 . 1 1 788 788 GLY H H 788 8.644 8.644 8.485 0.159 25871 9330 1 14 . 1 1 789 789 GLU N N 789 121.232 121.232 121.617 -0.385 25871 9331 1 14 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.150 0.011 25871 9332 1 14 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.347 0.086 25871 9333 1 14 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.408 0.233 25871 9334 1 14 . 1 1 789 789 GLU H H 789 8.539 8.539 8.711 -0.172 25871 9335 1 14 . 1 1 790 790 ALA N N 790 122.805 122.805 122.386 0.419 25871 9336 1 14 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.116 0.157 25871 9337 1 14 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.429 -0.481 25871 9338 1 14 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.619 -0.718 25871 9339 1 14 . 1 1 790 790 ALA H H 790 8.035 8.035 7.601 0.434 25871 9340 1 14 . 1 1 791 791 GLU N N 791 122.504 122.504 117.507 4.997 25871 9341 1 14 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.433 0.316 25871 9342 1 14 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.727 0.740 25871 9343 1 14 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.814 -1.235 25871 9344 1 14 . 1 1 791 791 GLU H H 791 8.309 8.309 7.945 0.364 25871 9345 1 14 . 1 1 792 792 PHE N N 792 119.966 119.966 121.502 -1.536 25871 9346 1 14 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.230 -0.032 25871 9347 1 14 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.193 1.426 25871 9348 1 14 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.353 -0.888 25871 9349 1 14 . 1 1 792 792 PHE H H 792 8.835 8.835 8.441 0.394 25871 9350 1 14 . 1 1 793 793 ALA N N 793 119.978 119.978 122.749 -2.771 25871 9351 1 14 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.678 0.228 25871 9352 1 14 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.232 -0.212 25871 9353 1 14 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.092 -0.456 25871 9354 1 14 . 1 1 793 793 ALA H H 793 8.147 8.147 8.129 0.018 25871 9355 1 14 . 1 1 794 794 ARG N N 794 121.286 121.286 116.924 4.362 25871 9356 1 14 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.042 -0.105 25871 9357 1 14 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.521 1.115 25871 9358 1 14 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.755 0.502 25871 9359 1 14 . 1 1 794 794 ARG H H 794 7.953 7.953 7.547 0.406 25871 9360 1 14 . 1 1 795 795 ILE N N 795 121.594 121.594 121.062 0.532 25871 9361 1 14 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.427 -0.116 25871 9362 1 14 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.763 1.413 25871 9363 1 14 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.882 0.452 25871 9364 1 14 . 1 1 795 795 ILE H H 795 8.091 8.091 7.115 0.976 25871 9365 1 14 . 1 1 796 796 MET N N 796 118.593 118.593 117.319 1.274 25871 9366 1 14 . 1 1 796 796 MET HA H 796 4.266 4.266 3.988 0.278 25871 9367 1 14 . 1 1 796 796 MET CA C 796 56.204 56.204 58.759 -2.555 25871 9368 1 14 . 1 1 796 796 MET CB C 796 29.453 29.453 31.770 -2.317 25871 9369 1 14 . 1 1 796 796 MET H H 796 8.543 8.543 8.106 0.437 25871 9370 1 14 . 1 1 797 797 SER N N 797 114.792 114.792 114.194 0.598 25871 9371 1 14 . 1 1 797 797 SER HA H 797 4.131 4.131 4.233 -0.102 25871 9372 1 14 . 1 1 797 797 SER CA C 797 61.233 61.233 61.322 -0.089 25871 9373 1 14 . 1 1 797 797 SER CB C 797 63.017 63.017 63.166 -0.149 25871 9374 1 14 . 1 1 797 797 SER H H 797 7.740 7.740 7.454 0.286 25871 9375 1 14 . 1 1 798 798 ILE N N 798 121.041 121.041 120.777 0.264 25871 9376 1 14 . 1 1 798 798 ILE HA H 798 3.869 3.869 4.034 -0.165 25871 9377 1 14 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.655 0.284 25871 9378 1 14 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.900 -0.009 25871 9379 1 14 . 1 1 798 798 ILE H H 798 7.352 7.352 7.623 -0.271 25871 9380 1 14 . 1 1 799 799 VAL N N 799 110.418 110.418 112.091 -1.673 25871 9381 1 14 . 1 1 799 799 VAL HA H 799 4.211 4.211 4.018 0.193 25871 9382 1 14 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.152 0.032 25871 9383 1 14 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.015 0.395 25871 9384 1 14 . 1 1 799 799 VAL H H 799 7.806 7.806 7.991 -0.185 25871 9385 1 14 . 1 1 800 800 ASP N N 800 119.703 119.703 119.416 0.287 25871 9386 1 14 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.022 0.235 25871 9387 1 14 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.932 -0.197 25871 9388 1 14 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.716 -0.382 25871 9389 1 14 . 1 1 800 800 ASP H H 800 8.124 8.124 7.490 0.634 25871 9390 1 14 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.502 -0.142 25871 9391 1 14 . 1 1 801 801 PRO CA C 801 65.035 65.035 63.888 1.147 25871 9392 1 14 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.500 -0.603 25871 9393 1 14 . 1 1 802 802 ASN N N 802 115.156 115.156 116.624 -1.468 25871 9394 1 14 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.631 0.148 25871 9395 1 14 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.029 0.199 25871 9396 1 14 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.648 -0.434 25871 9397 1 14 . 1 1 802 802 ASN H H 802 8.967 8.967 7.879 1.088 25871 9398 1 14 . 1 1 803 803 ARG N N 803 117.568 117.568 115.810 1.758 25871 9399 1 14 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.139 -0.290 25871 9400 1 14 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.449 0.527 25871 9401 1 14 . 1 1 803 803 ARG CB C 803 26.440 26.440 26.800 -0.360 25871 9402 1 14 . 1 1 803 803 ARG H H 803 8.013 8.013 7.817 0.196 25871 9403 1 14 . 1 1 804 804 LEU N N 804 122.899 122.899 119.978 2.921 25871 9404 1 14 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.221 -0.009 25871 9405 1 14 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.817 0.344 25871 9406 1 14 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.258 0.630 25871 9407 1 14 . 1 1 804 804 LEU H H 804 10.338 10.338 8.855 1.483 25871 9408 1 14 . 1 1 805 805 GLY N N 805 110.909 110.909 106.933 3.976 25871 9409 1 14 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.554 -0.273 25871 9410 1 14 . 1 1 805 805 GLY H H 805 10.955 10.955 9.043 1.912 25871 9411 1 14 . 1 1 806 806 VAL N N 806 111.683 111.683 113.948 -2.265 25871 9412 1 14 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.181 -0.598 25871 9413 1 14 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.881 -0.466 25871 9414 1 14 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.510 0.794 25871 9415 1 14 . 1 1 806 806 VAL H H 806 6.806 6.806 7.406 -0.600 25871 9416 1 14 . 1 1 807 807 VAL N N 807 123.649 123.649 120.174 3.475 25871 9417 1 14 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.348 -0.162 25871 9418 1 14 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.432 1.248 25871 9419 1 14 . 1 1 807 807 VAL CB C 807 32.903 32.903 34.859 -1.956 25871 9420 1 14 . 1 1 807 807 VAL H H 807 9.156 9.156 8.860 0.296 25871 9421 1 14 . 1 1 808 808 THR N N 808 116.404 116.404 120.300 -3.896 25871 9422 1 14 . 1 1 808 808 THR HA H 808 4.782 4.782 4.719 0.063 25871 9423 1 14 . 1 1 808 808 THR CA C 808 62.526 62.526 59.807 2.719 25871 9424 1 14 . 1 1 808 808 THR CB C 808 69.707 69.707 70.608 -0.900 25871 9425 1 14 . 1 1 808 808 THR H H 808 7.948 7.948 8.325 -0.377 25871 9426 1 14 . 1 1 809 809 PHE N N 809 121.514 121.514 124.424 -2.910 25871 9427 1 14 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.520 -1.018 25871 9428 1 14 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.655 -0.877 25871 9429 1 14 . 1 1 809 809 PHE CB C 809 38.435 38.435 39.093 -0.657 25871 9430 1 14 . 1 1 809 809 PHE H H 809 8.528 8.528 8.368 0.160 25871 9431 1 14 . 1 1 810 810 GLN N N 810 116.869 116.869 118.365 -1.496 25871 9432 1 14 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.690 -0.069 25871 9433 1 14 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.905 0.643 25871 9434 1 14 . 1 1 810 810 GLN CB C 810 28.397 28.397 28.025 0.372 25871 9435 1 14 . 1 1 810 810 GLN H H 810 8.638 8.638 8.187 0.451 25871 9436 1 14 . 1 1 811 811 ALA N N 811 121.318 121.318 122.740 -1.422 25871 9437 1 14 . 1 1 811 811 ALA HA H 811 4.148 4.148 4.000 0.148 25871 9438 1 14 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.593 0.496 25871 9439 1 14 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.660 0.580 25871 9440 1 14 . 1 1 811 811 ALA H H 811 7.795 7.795 7.668 0.127 25871 9441 1 14 . 1 1 812 812 PHE N N 812 119.498 119.498 116.559 2.939 25871 9442 1 14 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.801 0.376 25871 9443 1 14 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.360 1.137 25871 9444 1 14 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.702 0.324 25871 9445 1 14 . 1 1 812 812 PHE H H 812 8.093 8.093 7.635 0.458 25871 9446 1 14 . 1 1 813 813 ILE N N 813 119.554 119.554 118.089 1.465 25871 9447 1 14 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.619 0.526 25871 9448 1 14 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.706 -0.530 25871 9449 1 14 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.648 0.142 25871 9450 1 14 . 1 1 813 813 ILE H H 813 8.316 8.316 6.538 1.778 25871 9451 1 14 . 1 1 814 814 ASP N N 814 123.772 123.772 120.251 3.521 25871 9452 1 14 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.182 0.058 25871 9453 1 14 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.678 0.224 25871 9454 1 14 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.896 -0.654 25871 9455 1 14 . 1 1 814 814 ASP H H 814 8.434 8.434 7.276 1.158 25871 9456 1 14 . 1 1 815 815 PHE N N 815 121.079 121.079 115.212 5.867 25871 9457 1 14 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.538 -0.365 25871 9458 1 14 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.619 2.506 25871 9459 1 14 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.428 0.864 25871 9460 1 14 . 1 1 815 815 PHE H H 815 7.904 7.904 7.009 0.895 25871 9461 1 14 . 1 1 816 816 MET N N 816 117.231 117.231 121.779 -4.548 25871 9462 1 14 . 1 1 816 816 MET HA H 816 3.864 3.864 4.602 -0.738 25871 9463 1 14 . 1 1 816 816 MET CA C 816 55.934 55.934 56.927 -0.993 25871 9464 1 14 . 1 1 816 816 MET CB C 816 30.451 30.451 31.093 -0.642 25871 9465 1 14 . 1 1 816 816 MET H H 816 8.270 8.270 7.368 0.902 25871 9466 1 14 . 1 1 817 817 SER N N 817 114.308 114.308 114.322 -0.014 25871 9467 1 14 . 1 1 817 817 SER HA H 817 4.209 4.209 4.111 0.098 25871 9468 1 14 . 1 1 817 817 SER CA C 817 60.410 60.410 60.398 0.012 25871 9469 1 14 . 1 1 817 817 SER CB C 817 63.328 63.328 62.943 0.385 25871 9470 1 14 . 1 1 817 817 SER H H 817 8.100 8.100 7.612 0.488 25871 9471 1 14 . 1 1 818 818 ARG N N 818 121.459 121.459 118.851 2.608 25871 9472 1 14 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.378 -0.214 25871 9473 1 14 . 1 1 818 818 ARG CA C 818 57.468 57.468 57.522 -0.054 25871 9474 1 14 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.486 -0.101 25871 9475 1 14 . 1 1 818 818 ARG H H 818 7.329 7.329 7.573 -0.244 25871 9476 1 14 . 1 1 819 819 GLU N N 819 119.944 119.944 120.604 -0.660 25871 9477 1 14 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.450 -0.286 25871 9478 1 14 . 1 1 819 819 GLU CA C 819 57.468 57.468 59.011 -1.543 25871 9479 1 14 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.726 0.800 25871 9480 1 14 . 1 1 819 819 GLU H H 819 8.059 8.059 8.340 -0.281 25871 9481 1 14 . 1 1 820 820 THR N N 820 112.658 112.658 112.843 -0.185 25871 9482 1 14 . 1 1 820 820 THR HA H 820 4.309 4.309 4.121 0.188 25871 9483 1 14 . 1 1 820 820 THR CA C 820 62.191 62.191 63.715 -1.524 25871 9484 1 14 . 1 1 820 820 THR CB C 820 69.877 69.877 68.701 1.176 25871 9485 1 14 . 1 1 820 820 THR H H 820 7.789 7.789 7.947 -0.158 25871 9486 1 14 . 1 1 821 821 ALA N N 821 126.145 126.145 122.450 3.695 25871 9487 1 14 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.345 -0.013 25871 9488 1 14 . 1 1 821 821 ALA CA C 821 52.816 52.816 52.949 -0.133 25871 9489 1 14 . 1 1 821 821 ALA CB C 821 19.459 19.459 19.638 -0.179 25871 9490 1 14 . 1 1 821 821 ALA H H 821 8.003 8.003 7.254 0.749 25871 9491 1 14 . 1 1 822 822 ASP N N 822 120.003 120.003 115.957 4.046 25871 9492 1 14 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.875 -0.233 25871 9493 1 14 . 1 1 822 822 ASP CA C 822 54.439 54.439 53.727 0.711 25871 9494 1 14 . 1 1 822 822 ASP CB C 822 40.866 40.866 43.876 -3.010 25871 9495 1 14 . 1 1 822 822 ASP H H 822 8.330 8.330 8.109 0.221 25871 9496 1 14 . 1 1 823 823 THR N N 823 114.181 114.181 115.629 -1.448 25871 9497 1 14 . 1 1 823 823 THR HA H 823 4.304 4.304 4.511 -0.207 25871 9498 1 14 . 1 1 823 823 THR CA C 823 62.284 62.284 61.529 0.756 25871 9499 1 14 . 1 1 823 823 THR CB C 823 69.738 69.738 70.519 -0.781 25871 9500 1 14 . 1 1 823 823 THR H H 823 8.093 8.093 8.219 -0.126 25871 9501 1 14 . 1 1 824 824 ASP N N 824 123.285 123.285 125.853 -2.568 25871 9502 1 14 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.608 0.043 25871 9503 1 14 . 1 1 824 824 ASP CA C 824 54.595 54.595 53.752 0.843 25871 9504 1 14 . 1 1 824 824 ASP CB C 824 41.145 41.145 41.779 -0.634 25871 9505 1 14 . 1 1 824 824 ASP H H 824 8.426 8.426 8.623 -0.197 25871 9506 1 14 . 1 1 825 825 THR N N 825 114.970 114.970 118.121 -3.151 25871 9507 1 14 . 1 1 825 825 THR HA H 825 4.313 4.313 4.127 0.186 25871 9508 1 14 . 1 1 825 825 THR CA C 825 62.329 62.329 64.383 -2.054 25871 9509 1 14 . 1 1 825 825 THR CB C 825 69.541 69.541 68.851 0.690 25871 9510 1 14 . 1 1 825 825 THR H H 825 8.157 8.157 8.431 -0.274 25871 9511 1 14 . 1 1 826 826 ALA N N 826 124.991 124.991 123.860 1.131 25871 9512 1 14 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.191 0.010 25871 9513 1 14 . 1 1 826 826 ALA CA C 826 54.473 54.473 55.093 -0.620 25871 9514 1 14 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.372 0.324 25871 9515 1 14 . 1 1 826 826 ALA H H 826 8.374 8.374 8.297 0.077 25871 9516 1 14 . 1 1 827 827 ASP N N 827 117.795 117.795 118.267 -0.472 25871 9517 1 14 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.355 0.107 25871 9518 1 14 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.614 -1.463 25871 9519 1 14 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.805 0.124 25871 9520 1 14 . 1 1 827 827 ASP H H 827 8.255 8.255 8.323 -0.068 25871 9521 1 14 . 1 1 828 828 GLN N N 828 120.646 120.646 119.181 1.465 25871 9522 1 14 . 1 1 828 828 GLN HA H 828 4.121 4.121 3.935 0.186 25871 9523 1 14 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.954 -1.004 25871 9524 1 14 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.894 -0.308 25871 9525 1 14 . 1 1 828 828 GLN H H 828 8.086 8.086 7.501 0.585 25871 9526 1 14 . 1 1 829 829 VAL N N 829 120.933 120.933 119.393 1.540 25871 9527 1 14 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.525 0.026 25871 9528 1 14 . 1 1 829 829 VAL CA C 829 65.321 65.321 65.198 0.122 25871 9529 1 14 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.816 -0.066 25871 9530 1 14 . 1 1 829 829 VAL H H 829 8.048 8.048 7.410 0.638 25871 9531 1 14 . 1 1 830 830 MET N N 830 119.386 119.386 120.635 -1.249 25871 9532 1 14 . 1 1 830 830 MET HA H 830 4.030 4.030 4.489 -0.459 25871 9533 1 14 . 1 1 830 830 MET CA C 830 58.013 58.013 58.305 -0.292 25871 9534 1 14 . 1 1 830 830 MET CB C 830 32.110 32.110 32.626 -0.516 25871 9535 1 14 . 1 1 830 830 MET H H 830 8.088 8.088 8.129 -0.041 25871 9536 1 14 . 1 1 831 831 ALA N N 831 121.027 121.027 120.912 0.115 25871 9537 1 14 . 1 1 831 831 ALA HA H 831 4.075 4.075 4.080 -0.005 25871 9538 1 14 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.150 -0.531 25871 9539 1 14 . 1 1 831 831 ALA CB C 831 18.126 18.126 17.943 0.183 25871 9540 1 14 . 1 1 831 831 ALA H H 831 7.829 7.829 8.232 -0.403 25871 9541 1 14 . 1 1 832 832 SER N N 832 114.314 114.314 114.315 -0.001 25871 9542 1 14 . 1 1 832 832 SER HA H 832 4.181 4.181 4.144 0.037 25871 9543 1 14 . 1 1 832 832 SER CA C 832 61.039 61.039 61.475 -0.436 25871 9544 1 14 . 1 1 832 832 SER CB C 832 62.671 62.671 62.853 -0.182 25871 9545 1 14 . 1 1 832 832 SER H H 832 7.711 7.711 7.386 0.326 25871 9546 1 14 . 1 1 833 833 PHE N N 833 121.898 121.898 121.243 0.655 25871 9547 1 14 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.210 0.020 25871 9548 1 14 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.900 -1.466 25871 9549 1 14 . 1 1 833 833 PHE CB C 833 38.249 38.249 38.002 0.247 25871 9550 1 14 . 1 1 833 833 PHE H H 833 7.717 7.717 7.552 0.165 25871 9551 1 14 . 1 1 834 834 LYS N N 834 118.752 118.752 120.031 -1.279 25871 9552 1 14 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.927 -0.305 25871 9553 1 14 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.224 0.201 25871 9554 1 14 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.229 -0.045 25871 9555 1 14 . 1 1 834 834 LYS H H 834 7.844 7.844 7.742 0.102 25871 9556 1 14 . 1 1 835 835 ILE N N 835 118.528 118.528 117.787 0.741 25871 9557 1 14 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.781 -0.011 25871 9558 1 14 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.311 -0.592 25871 9559 1 14 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.250 -0.344 25871 9560 1 14 . 1 1 835 835 ILE H H 835 7.311 7.311 7.383 -0.072 25871 9561 1 14 . 1 1 836 836 LEU N N 836 121.176 121.176 116.666 4.510 25871 9562 1 14 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.371 -0.381 25871 9563 1 14 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.897 0.269 25871 9564 1 14 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.874 0.622 25871 9565 1 14 . 1 1 836 836 LEU H H 836 7.617 7.617 7.200 0.417 25871 9566 1 14 . 1 1 837 837 ALA N N 837 119.189 119.189 120.922 -1.733 25871 9567 1 14 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.368 -0.444 25871 9568 1 14 . 1 1 837 837 ALA CA C 837 53.417 53.417 51.722 1.695 25871 9569 1 14 . 1 1 837 837 ALA CB C 837 19.392 19.392 17.827 1.565 25871 9570 1 14 . 1 1 837 837 ALA H H 837 8.092 8.092 8.402 -0.310 25871 9571 1 14 . 1 1 838 838 GLY N N 838 106.965 106.965 107.993 -1.028 25871 9572 1 14 . 1 1 838 838 GLY CA C 838 47.029 47.029 46.964 0.065 25871 9573 1 14 . 1 1 838 838 GLY H H 838 7.667 7.667 7.944 -0.277 25871 9574 1 14 . 1 1 839 839 ASP N N 839 122.392 122.392 120.423 1.969 25871 9575 1 14 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.576 -0.059 25871 9576 1 14 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.565 -0.984 25871 9577 1 14 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.069 -0.485 25871 9578 1 14 . 1 1 839 839 ASP H H 839 8.703 8.703 7.996 0.707 25871 9579 1 14 . 1 1 840 840 LYS N N 840 117.603 117.603 116.425 1.178 25871 9580 1 14 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.635 -0.303 25871 9581 1 14 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.777 1.190 25871 9582 1 14 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.054 -1.303 25871 9583 1 14 . 1 1 840 840 LYS H H 840 7.592 7.592 7.732 -0.140 25871 9584 1 14 . 1 1 841 841 ASN N N 841 116.654 116.654 116.468 0.186 25871 9585 1 14 . 1 1 841 841 ASN HA H 841 4.642 4.642 5.013 -0.371 25871 9586 1 14 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.013 0.683 25871 9587 1 14 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.799 -0.543 25871 9588 1 14 . 1 1 841 841 ASN H H 841 8.689 8.689 8.791 -0.102 25871 9589 1 14 . 1 1 842 842 TYR N N 842 112.231 112.231 114.411 -2.180 25871 9590 1 14 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.951 0.062 25871 9591 1 14 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.099 -1.966 25871 9592 1 14 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.096 1.532 25871 9593 1 14 . 1 1 842 842 TYR H H 842 6.638 6.638 7.301 -0.663 25871 9594 1 14 . 1 1 843 843 ILE N N 843 115.455 115.455 117.718 -2.263 25871 9595 1 14 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.183 0.617 25871 9596 1 14 . 1 1 843 843 ILE CA C 843 59.462 59.462 59.159 0.303 25871 9597 1 14 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.474 0.995 25871 9598 1 14 . 1 1 843 843 ILE H H 843 8.626 8.626 8.991 -0.365 25871 9599 1 14 . 1 1 844 844 THR N N 844 117.140 117.140 116.698 0.442 25871 9600 1 14 . 1 1 844 844 THR HA H 844 5.393 5.393 5.115 0.278 25871 9601 1 14 . 1 1 844 844 THR CA C 844 60.380 60.380 60.136 0.244 25871 9602 1 14 . 1 1 844 844 THR CB C 844 71.475 71.475 70.987 0.487 25871 9603 1 14 . 1 1 844 844 THR H H 844 9.329 9.329 7.948 1.381 25871 9604 1 14 . 1 1 845 845 MET N N 845 119.879 119.879 119.305 0.574 25871 9605 1 14 . 1 1 845 845 MET HA H 845 3.852 3.852 4.012 -0.160 25871 9606 1 14 . 1 1 845 845 MET CA C 845 60.389 60.389 60.474 -0.084 25871 9607 1 14 . 1 1 845 845 MET CB C 845 33.110 33.110 32.282 0.828 25871 9608 1 14 . 1 1 845 845 MET H H 845 8.555 8.555 8.719 -0.164 25871 9609 1 14 . 1 1 846 846 ASP N N 846 116.360 116.360 118.340 -1.980 25871 9610 1 14 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.420 -0.110 25871 9611 1 14 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.173 0.316 25871 9612 1 14 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.307 0.365 25871 9613 1 14 . 1 1 846 846 ASP H H 846 8.375 8.375 8.383 -0.008 25871 9614 1 14 . 1 1 847 847 GLU N N 847 120.575 120.575 119.037 1.538 25871 9615 1 14 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.128 -0.242 25871 9616 1 14 . 1 1 847 847 GLU CA C 847 59.754 59.754 58.798 0.956 25871 9617 1 14 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.890 -0.133 25871 9618 1 14 . 1 1 847 847 GLU H H 847 7.852 7.852 7.795 0.057 25871 9619 1 14 . 1 1 848 848 LEU N N 848 118.753 118.753 117.961 0.792 25871 9620 1 14 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.208 -0.348 25871 9621 1 14 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.098 0.585 25871 9622 1 14 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.285 1.239 25871 9623 1 14 . 1 1 848 848 LEU H H 848 7.834 7.834 8.312 -0.478 25871 9624 1 14 . 1 1 849 849 ARG N N 849 113.976 113.976 118.583 -4.607 25871 9625 1 14 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.110 -0.150 25871 9626 1 14 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.253 0.343 25871 9627 1 14 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.058 0.087 25871 9628 1 14 . 1 1 849 849 ARG H H 849 8.055 8.055 7.640 0.415 25871 9629 1 14 . 1 1 850 850 ARG N N 850 118.184 118.184 118.440 -0.256 25871 9630 1 14 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.171 0.060 25871 9631 1 14 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.550 -0.171 25871 9632 1 14 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.698 1.415 25871 9633 1 14 . 1 1 850 850 ARG H H 850 7.739 7.739 7.962 -0.223 25871 9634 1 14 . 1 1 851 851 GLU N N 851 115.550 115.550 118.622 -3.072 25871 9635 1 14 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.279 0.101 25871 9636 1 14 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.028 -1.034 25871 9637 1 14 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.873 0.812 25871 9638 1 14 . 1 1 851 851 GLU H H 851 7.591 7.591 7.712 -0.121 25871 9639 1 14 . 1 1 852 852 LEU N N 852 119.170 119.170 119.384 -0.214 25871 9640 1 14 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.866 0.060 25871 9641 1 14 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.118 0.173 25871 9642 1 14 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.845 0.793 25871 9643 1 14 . 1 1 852 852 LEU H H 852 7.891 7.891 7.603 0.288 25871 9644 1 14 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.509 -0.204 25871 9645 1 14 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.554 3.848 25871 9646 1 14 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.146 0.178 25871 9647 1 14 . 1 1 855 855 ASP N N 855 114.853 114.853 117.946 -3.093 25871 9648 1 14 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.293 0.086 25871 9649 1 14 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.677 -0.619 25871 9650 1 14 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.036 -0.797 25871 9651 1 14 . 1 1 855 855 ASP H H 855 8.796 8.796 8.602 0.194 25871 9652 1 14 . 1 1 856 856 GLN N N 856 121.513 121.513 118.414 3.099 25871 9653 1 14 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.910 0.330 25871 9654 1 14 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.504 -0.120 25871 9655 1 14 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.808 1.535 25871 9656 1 14 . 1 1 856 856 GLN H H 856 7.471 7.471 8.402 -0.931 25871 9657 1 14 . 1 1 857 857 ALA N N 857 122.821 122.821 121.881 0.940 25871 9658 1 14 . 1 1 857 857 ALA HA H 857 3.830 3.830 3.961 -0.131 25871 9659 1 14 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.900 0.505 25871 9660 1 14 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.311 -0.327 25871 9661 1 14 . 1 1 857 857 ALA H H 857 8.889 8.889 8.194 0.695 25871 9662 1 14 . 1 1 858 858 GLU N N 858 114.091 114.091 119.642 -5.551 25871 9663 1 14 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.085 -0.029 25871 9664 1 14 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.449 -0.668 25871 9665 1 14 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.578 -0.911 25871 9666 1 14 . 1 1 858 858 GLU H H 858 8.143 8.143 7.703 0.440 25871 9667 1 14 . 1 1 859 859 TYR N N 859 120.670 120.670 118.692 1.978 25871 9668 1 14 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.283 -0.156 25871 9669 1 14 . 1 1 859 859 TYR CA C 859 61.148 61.148 60.932 0.216 25871 9670 1 14 . 1 1 859 859 TYR CB C 859 38.738 38.738 38.035 0.703 25871 9671 1 14 . 1 1 859 859 TYR H H 859 7.708 7.708 8.516 -0.808 25871 9672 1 14 . 1 1 860 860 CYS N N 860 115.848 115.848 118.004 -2.156 25871 9673 1 14 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.059 0.129 25871 9674 1 14 . 1 1 860 860 CYS CA C 860 64.438 64.438 63.567 0.871 25871 9675 1 14 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.788 -0.323 25871 9676 1 14 . 1 1 860 860 CYS H H 860 8.119 8.119 7.870 0.249 25871 9677 1 14 . 1 1 861 861 ILE N N 861 120.124 120.124 120.956 -0.832 25871 9678 1 14 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.567 -0.203 25871 9679 1 14 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.784 -0.052 25871 9680 1 14 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.743 0.979 25871 9681 1 14 . 1 1 861 861 ILE H H 861 8.451 8.451 8.432 0.019 25871 9682 1 14 . 1 1 862 862 ALA N N 862 116.691 116.691 119.632 -2.941 25871 9683 1 14 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.139 0.111 25871 9684 1 14 . 1 1 862 862 ALA CA C 862 53.428 53.428 53.978 -0.550 25871 9685 1 14 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.286 0.789 25871 9686 1 14 . 1 1 862 862 ALA H H 862 7.304 7.304 8.115 -0.811 25871 9687 1 14 . 1 1 863 863 ARG N N 863 117.259 117.259 116.442 0.817 25871 9688 1 14 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.161 0.131 25871 9689 1 14 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.523 0.916 25871 9690 1 14 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.634 -0.176 25871 9691 1 14 . 1 1 863 863 ARG H H 863 7.357 7.357 7.573 -0.216 25871 9692 1 14 . 1 1 864 864 MET N N 864 117.570 117.570 119.732 -2.162 25871 9693 1 14 . 1 1 864 864 MET HA H 864 4.598 4.598 4.102 0.496 25871 9694 1 14 . 1 1 864 864 MET CA C 864 55.180 55.180 56.886 -1.706 25871 9695 1 14 . 1 1 864 864 MET CB C 864 37.428 37.428 33.677 3.751 25871 9696 1 14 . 1 1 864 864 MET H H 864 7.147 7.147 7.967 -0.820 25871 9697 1 14 . 1 1 865 865 ALA N N 865 124.616 124.616 126.670 -2.054 25871 9698 1 14 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.804 -0.871 25871 9699 1 14 . 1 1 865 865 ALA CA C 865 49.280 49.280 50.114 -0.834 25871 9700 1 14 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.447 0.202 25871 9701 1 14 . 1 1 865 865 ALA H H 865 8.548 8.548 8.521 0.027 25871 9702 1 14 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.521 -0.002 25871 9703 1 14 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.524 0.297 25871 9704 1 14 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.427 -0.436 25871 9705 1 14 . 1 1 867 867 TYR N N 867 122.454 122.454 122.220 0.234 25871 9706 1 14 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.699 -0.544 25871 9707 1 14 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.980 -1.029 25871 9708 1 14 . 1 1 867 867 TYR CB C 867 43.347 43.347 41.372 1.975 25871 9709 1 14 . 1 1 867 867 TYR H H 867 8.127 8.127 8.124 0.003 25871 9710 1 14 . 1 1 869 869 GLY N N 869 105.881 105.881 109.797 -3.916 25871 9711 1 14 . 1 1 869 869 GLY CA C 869 45.090 45.090 43.278 1.812 25871 9712 1 14 . 1 1 869 869 GLY H H 869 5.440 5.440 6.241 -0.801 25871 9713 1 14 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.322 0.039 25871 9714 1 14 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.470 0.371 25871 9715 1 14 . 1 1 870 870 PRO CB C 870 31.630 31.630 31.986 -0.356 25871 9716 1 14 . 1 1 871 871 ASP N N 871 116.217 116.217 119.946 -3.729 25871 9717 1 14 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.923 -0.287 25871 9718 1 14 . 1 1 871 871 ASP CA C 871 52.950 52.950 52.347 0.603 25871 9719 1 14 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.791 -1.641 25871 9720 1 14 . 1 1 871 871 ASP H H 871 9.263 9.263 7.977 1.286 25871 9721 1 14 . 1 1 872 872 SER N N 872 112.352 112.352 115.226 -2.874 25871 9722 1 14 . 1 1 872 872 SER HA H 872 3.530 3.530 4.453 -0.923 25871 9723 1 14 . 1 1 872 872 SER CA C 872 59.184 59.184 58.584 0.600 25871 9724 1 14 . 1 1 872 872 SER CB C 872 63.286 63.286 64.237 -0.951 25871 9725 1 14 . 1 1 872 872 SER H H 872 7.487 7.487 7.609 -0.122 25871 9726 1 14 . 1 1 873 873 VAL N N 873 113.588 113.588 115.348 -1.760 25871 9727 1 14 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.601 0.152 25871 9728 1 14 . 1 1 873 873 VAL CA C 873 58.068 58.068 57.924 0.144 25871 9729 1 14 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.270 -0.353 25871 9730 1 14 . 1 1 873 873 VAL H H 873 6.411 6.411 7.752 -1.341 25871 9731 1 14 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.395 -0.065 25871 9732 1 14 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.557 -0.247 25871 9733 1 14 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.548 0.075 25871 9734 1 14 . 1 1 875 875 GLY N N 875 112.109 112.109 107.438 4.671 25871 9735 1 14 . 1 1 875 875 GLY CA C 875 45.492 45.492 43.467 2.025 25871 9736 1 14 . 1 1 875 875 GLY H H 875 8.798 8.798 7.976 0.822 25871 9737 1 14 . 1 1 876 876 ALA N N 876 120.267 120.267 124.067 -3.800 25871 9738 1 14 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.288 -1.151 25871 9739 1 14 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.883 2.380 25871 9740 1 14 . 1 1 876 876 ALA CB C 876 20.554 20.554 20.995 -0.441 25871 9741 1 14 . 1 1 876 876 ALA H H 876 7.762 7.762 7.687 0.075 25871 9742 1 14 . 1 1 877 877 LEU N N 877 125.696 125.696 122.591 3.105 25871 9743 1 14 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.072 -0.268 25871 9744 1 14 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.954 0.338 25871 9745 1 14 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.682 -1.841 25871 9746 1 14 . 1 1 877 877 LEU H H 877 9.598 9.598 9.404 0.194 25871 9747 1 14 . 1 1 878 878 ASP N N 878 119.836 119.836 123.175 -3.339 25871 9748 1 14 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.006 -0.087 25871 9749 1 14 . 1 1 878 878 ASP CA C 878 52.130 52.130 53.059 -0.929 25871 9750 1 14 . 1 1 878 878 ASP CB C 878 40.798 40.798 42.150 -1.352 25871 9751 1 14 . 1 1 878 878 ASP H H 878 9.028 9.028 8.678 0.350 25871 9752 1 14 . 1 1 879 879 TYR N N 879 126.600 126.600 123.699 2.901 25871 9753 1 14 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.284 0.334 25871 9754 1 14 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.932 -0.375 25871 9755 1 14 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.286 -0.762 25871 9756 1 14 . 1 1 879 879 TYR H H 879 7.454 7.454 8.160 -0.706 25871 9757 1 14 . 1 1 880 880 MET N N 880 119.910 119.910 118.176 1.734 25871 9758 1 14 . 1 1 880 880 MET HA H 880 4.619 4.619 3.739 0.880 25871 9759 1 14 . 1 1 880 880 MET CA C 880 56.205 56.205 57.741 -1.536 25871 9760 1 14 . 1 1 880 880 MET CB C 880 32.338 32.338 32.097 0.241 25871 9761 1 14 . 1 1 880 880 MET H H 880 7.620 7.620 7.383 0.237 25871 9762 1 14 . 1 1 881 881 SER N N 881 114.353 114.353 113.477 0.876 25871 9763 1 14 . 1 1 881 881 SER HA H 881 4.501 4.501 4.502 -0.001 25871 9764 1 14 . 1 1 881 881 SER CA C 881 58.957 58.957 58.993 -0.036 25871 9765 1 14 . 1 1 881 881 SER CB C 881 64.284 64.284 63.388 0.896 25871 9766 1 14 . 1 1 881 881 SER H H 881 7.721 7.721 7.749 -0.028 25871 9767 1 14 . 1 1 882 882 PHE N N 882 122.746 122.746 125.013 -2.267 25871 9768 1 14 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.747 0.002 25871 9769 1 14 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.463 -1.012 25871 9770 1 14 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.953 1.343 25871 9771 1 14 . 1 1 882 882 PHE H H 882 7.386 7.386 8.120 -0.734 25871 9772 1 14 . 1 1 883 883 SER N N 883 120.214 120.214 114.525 5.689 25871 9773 1 14 . 1 1 883 883 SER HA H 883 4.338 4.338 3.952 0.386 25871 9774 1 14 . 1 1 883 883 SER CA C 883 57.455 57.455 60.950 -3.495 25871 9775 1 14 . 1 1 883 883 SER CB C 883 64.684 64.684 62.906 1.778 25871 9776 1 14 . 1 1 883 883 SER H H 883 7.464 7.464 8.668 -1.204 25871 9777 1 14 . 1 1 884 884 THR N N 884 110.671 110.671 109.895 0.776 25871 9778 1 14 . 1 1 884 884 THR HA H 884 4.008 4.008 4.403 -0.395 25871 9779 1 14 . 1 1 884 884 THR CA C 884 63.367 63.367 61.874 1.493 25871 9780 1 14 . 1 1 884 884 THR CB C 884 69.088 69.088 70.613 -1.525 25871 9781 1 14 . 1 1 884 884 THR H H 884 7.993 7.993 7.618 0.375 25871 9782 1 14 . 1 1 885 885 ALA N N 885 125.453 125.453 124.424 1.029 25871 9783 1 14 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.603 -0.333 25871 9784 1 14 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.110 0.050 25871 9785 1 14 . 1 1 885 885 ALA CB C 885 19.310 19.310 20.797 -1.487 25871 9786 1 14 . 1 1 885 885 ALA H H 885 7.905 7.905 7.391 0.514 25871 9787 1 14 . 1 1 886 886 LEU N N 886 120.791 120.791 119.794 0.997 25871 9788 1 14 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.638 -1.591 25871 9789 1 14 . 1 1 886 886 LEU CA C 886 55.496 55.496 54.131 1.365 25871 9790 1 14 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.310 -2.971 25871 9791 1 14 . 1 1 886 886 LEU H H 886 8.087 8.087 8.179 -0.092 25871 9792 1 14 . 1 1 887 887 TYR N N 887 121.620 121.620 118.124 3.496 25871 9793 1 14 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.955 -0.552 25871 9794 1 14 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.691 1.103 25871 9795 1 14 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.203 -0.582 25871 9796 1 14 . 1 1 887 887 TYR H H 887 8.272 8.272 8.147 0.125 25871 9797 1 14 . 1 1 888 888 GLY N N 888 112.443 112.443 108.750 3.693 25871 9798 1 14 . 1 1 888 888 GLY CA C 888 45.195 45.195 43.814 1.381 25871 9799 1 14 . 1 1 888 888 GLY H H 888 8.087 8.087 8.103 -0.016 25871 9800 1 14 . 1 1 889 889 GLU N N 889 120.272 120.272 120.559 -0.287 25871 9801 1 14 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.253 0.042 25871 9802 1 14 . 1 1 889 889 GLU CA C 889 56.593 56.593 55.931 0.662 25871 9803 1 14 . 1 1 889 889 GLU CB C 889 30.601 30.601 29.913 0.688 25871 9804 1 14 . 1 1 889 889 GLU H H 889 7.991 7.991 7.777 0.214 25871 9805 1 14 . 1 1 890 890 SER N N 890 116.330 116.330 121.988 -5.658 25871 9806 1 14 . 1 1 890 890 SER HA H 890 4.452 4.452 4.374 0.078 25871 9807 1 14 . 1 1 890 890 SER CA C 890 58.334 58.334 59.351 -1.017 25871 9808 1 14 . 1 1 890 890 SER CB C 890 64.174 64.174 63.385 0.789 25871 9809 1 14 . 1 1 890 890 SER H H 890 8.325 8.325 8.738 -0.413 25871 9810 1 14 . 1 1 891 891 ASP N N 891 122.987 122.987 121.104 1.883 25871 9811 1 14 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.858 -0.206 25871 9812 1 14 . 1 1 891 891 ASP CA C 891 54.534 54.534 54.214 0.320 25871 9813 1 14 . 1 1 891 891 ASP CB C 891 40.981 40.981 40.965 0.016 25871 9814 1 14 . 1 1 891 891 ASP H H 891 8.387 8.387 8.110 0.277 25871 9815 1 15 . 1 1 743 743 ILE N N 743 122.085 122.085 125.949 -3.864 25871 9816 1 15 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.217 0.139 25871 9817 1 15 . 1 1 743 743 ILE CA C 743 60.624 60.624 61.622 -0.998 25871 9818 1 15 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.910 0.113 25871 9819 1 15 . 1 1 743 743 ILE H H 743 8.122 8.122 8.381 -0.259 25871 9820 1 15 . 1 1 744 744 SER N N 744 123.378 123.378 121.602 1.776 25871 9821 1 15 . 1 1 744 744 SER HA H 744 4.472 4.472 4.600 -0.128 25871 9822 1 15 . 1 1 744 744 SER CA C 744 57.581 57.581 57.467 0.114 25871 9823 1 15 . 1 1 744 744 SER CB C 744 65.276 65.276 64.529 0.747 25871 9824 1 15 . 1 1 744 744 SER H H 744 8.844 8.844 8.383 0.461 25871 9825 1 15 . 1 1 745 745 GLN N N 745 121.612 121.612 121.458 0.154 25871 9826 1 15 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.057 -0.079 25871 9827 1 15 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.249 -0.362 25871 9828 1 15 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.584 -0.059 25871 9829 1 15 . 1 1 745 745 GLN H H 745 9.035 9.035 8.929 0.106 25871 9830 1 15 . 1 1 746 746 GLU N N 746 118.618 118.618 117.471 1.147 25871 9831 1 15 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.143 -0.109 25871 9832 1 15 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.897 1.400 25871 9833 1 15 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.753 0.191 25871 9834 1 15 . 1 1 746 746 GLU H H 746 8.718 8.718 8.768 -0.050 25871 9835 1 15 . 1 1 747 747 GLN N N 747 120.436 120.436 119.942 0.494 25871 9836 1 15 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.309 -0.485 25871 9837 1 15 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.806 -0.302 25871 9838 1 15 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.207 -0.252 25871 9839 1 15 . 1 1 747 747 GLN H H 747 7.821 7.821 7.330 0.491 25871 9840 1 15 . 1 1 748 748 MET N N 748 119.174 119.174 117.690 1.484 25871 9841 1 15 . 1 1 748 748 MET HA H 748 4.228 4.228 4.509 -0.281 25871 9842 1 15 . 1 1 748 748 MET CA C 748 58.305 58.305 59.306 -1.001 25871 9843 1 15 . 1 1 748 748 MET CB C 748 30.922 30.922 32.201 -1.279 25871 9844 1 15 . 1 1 748 748 MET H H 748 8.477 8.477 8.212 0.265 25871 9845 1 15 . 1 1 749 749 ASN N N 749 117.610 117.610 119.453 -1.843 25871 9846 1 15 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.433 0.072 25871 9847 1 15 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.795 -0.833 25871 9848 1 15 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.389 -0.484 25871 9849 1 15 . 1 1 749 749 ASN H H 749 8.302 8.302 7.961 0.341 25871 9850 1 15 . 1 1 750 750 GLU N N 750 122.737 122.737 120.225 2.512 25871 9851 1 15 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.084 0.162 25871 9852 1 15 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.695 0.830 25871 9853 1 15 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.076 0.333 25871 9854 1 15 . 1 1 750 750 GLU H H 750 7.789 7.789 7.804 -0.015 25871 9855 1 15 . 1 1 751 751 PHE N N 751 120.358 120.358 121.707 -1.349 25871 9856 1 15 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.359 0.619 25871 9857 1 15 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.398 -3.755 25871 9858 1 15 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.872 -1.394 25871 9859 1 15 . 1 1 751 751 PHE H H 751 8.772 8.772 8.488 0.284 25871 9860 1 15 . 1 1 752 752 ARG N N 752 120.173 120.173 119.370 0.803 25871 9861 1 15 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.315 -0.168 25871 9862 1 15 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.880 -3.079 25871 9863 1 15 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.089 0.273 25871 9864 1 15 . 1 1 752 752 ARG H H 752 8.990 8.990 8.650 0.340 25871 9865 1 15 . 1 1 753 753 ALA N N 753 120.965 120.965 122.029 -1.064 25871 9866 1 15 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.200 0.055 25871 9867 1 15 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.141 0.284 25871 9868 1 15 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.197 -0.185 25871 9869 1 15 . 1 1 753 753 ALA H H 753 8.136 8.136 8.379 -0.243 25871 9870 1 15 . 1 1 754 754 SER N N 754 115.350 115.350 116.151 -0.801 25871 9871 1 15 . 1 1 754 754 SER HA H 754 4.451 4.451 4.372 0.079 25871 9872 1 15 . 1 1 754 754 SER CA C 754 63.045 63.045 62.739 0.306 25871 9873 1 15 . 1 1 754 754 SER CB C 754 63.111 63.111 63.378 -0.267 25871 9874 1 15 . 1 1 754 754 SER H H 754 8.366 8.366 8.430 -0.064 25871 9875 1 15 . 1 1 755 755 PHE N N 755 121.902 121.902 122.602 -0.700 25871 9876 1 15 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.307 -0.321 25871 9877 1 15 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.306 2.047 25871 9878 1 15 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.187 0.978 25871 9879 1 15 . 1 1 755 755 PHE H H 755 8.498 8.498 8.334 0.164 25871 9880 1 15 . 1 1 756 756 ASN N N 756 114.071 114.071 117.875 -3.804 25871 9881 1 15 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.759 0.771 25871 9882 1 15 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.444 0.360 25871 9883 1 15 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.466 -0.533 25871 9884 1 15 . 1 1 756 756 ASN H H 756 8.722 8.722 8.103 0.619 25871 9885 1 15 . 1 1 757 757 HIS N N 757 119.524 119.524 119.089 0.435 25871 9886 1 15 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.307 -0.185 25871 9887 1 15 . 1 1 757 757 HIS CA C 757 59.470 59.470 58.548 0.922 25871 9888 1 15 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.225 -0.178 25871 9889 1 15 . 1 1 757 757 HIS H H 757 8.027 8.027 8.104 -0.077 25871 9890 1 15 . 1 1 758 758 PHE N N 758 113.439 113.439 115.911 -2.472 25871 9891 1 15 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.366 -0.259 25871 9892 1 15 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.806 0.262 25871 9893 1 15 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.761 0.227 25871 9894 1 15 . 1 1 758 758 PHE H H 758 7.322 7.322 7.961 -0.639 25871 9895 1 15 . 1 1 759 759 ASP N N 759 121.632 121.632 119.729 1.903 25871 9896 1 15 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.784 -0.168 25871 9897 1 15 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.560 0.048 25871 9898 1 15 . 1 1 759 759 ASP CB C 759 38.681 38.681 38.961 -0.279 25871 9899 1 15 . 1 1 759 759 ASP H H 759 7.439 7.439 8.531 -1.092 25871 9900 1 15 . 1 1 760 760 ARG N N 760 123.429 123.429 121.953 1.476 25871 9901 1 15 . 1 1 760 760 ARG HA H 760 3.825 3.825 4.251 -0.426 25871 9902 1 15 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.547 1.084 25871 9903 1 15 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.192 -0.119 25871 9904 1 15 . 1 1 760 760 ARG H H 760 7.797 7.797 7.892 -0.095 25871 9905 1 15 . 1 1 761 761 ASP N N 761 115.027 115.027 118.463 -3.436 25871 9906 1 15 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.455 0.026 25871 9907 1 15 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.204 -0.726 25871 9908 1 15 . 1 1 761 761 ASP CB C 761 39.500 39.500 40.631 -1.131 25871 9909 1 15 . 1 1 761 761 ASP H H 761 8.470 8.470 7.787 0.683 25871 9910 1 15 . 1 1 762 762 HIS N N 762 117.442 117.442 113.940 3.502 25871 9911 1 15 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.403 -0.166 25871 9912 1 15 . 1 1 762 762 HIS CA C 762 56.493 56.493 55.913 0.581 25871 9913 1 15 . 1 1 762 762 HIS CB C 762 26.581 26.581 27.274 -0.693 25871 9914 1 15 . 1 1 762 762 HIS H H 762 7.716 7.716 7.693 0.023 25871 9915 1 15 . 1 1 763 763 SER N N 763 117.624 117.624 116.434 1.190 25871 9916 1 15 . 1 1 763 763 SER HA H 763 4.441 4.441 4.295 0.146 25871 9917 1 15 . 1 1 763 763 SER CA C 763 59.706 59.706 59.249 0.457 25871 9918 1 15 . 1 1 763 763 SER CB C 763 65.228 65.228 64.446 0.782 25871 9919 1 15 . 1 1 763 763 SER H H 763 9.708 9.708 8.355 1.353 25871 9920 1 15 . 1 1 764 764 GLY N N 764 117.320 117.320 110.490 6.830 25871 9921 1 15 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.624 0.135 25871 9922 1 15 . 1 1 764 764 GLY H H 764 11.185 11.185 9.391 1.794 25871 9923 1 15 . 1 1 765 765 THR N N 765 110.392 110.392 111.587 -1.195 25871 9924 1 15 . 1 1 765 765 THR HA H 765 5.197 5.197 5.233 -0.036 25871 9925 1 15 . 1 1 765 765 THR CA C 765 59.125 59.125 60.760 -1.635 25871 9926 1 15 . 1 1 765 765 THR CB C 765 73.022 73.022 72.018 1.004 25871 9927 1 15 . 1 1 765 765 THR H H 765 7.972 7.972 7.657 0.315 25871 9928 1 15 . 1 1 766 766 LEU N N 766 117.658 117.658 119.505 -1.847 25871 9929 1 15 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.766 0.058 25871 9930 1 15 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.010 -0.258 25871 9931 1 15 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.615 -1.402 25871 9932 1 15 . 1 1 766 766 LEU H H 766 8.589 8.589 8.478 0.111 25871 9933 1 15 . 1 1 767 767 GLY N N 767 108.644 108.644 107.242 1.402 25871 9934 1 15 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.659 0.277 25871 9935 1 15 . 1 1 767 767 GLY H H 767 8.601 8.601 8.551 0.050 25871 9936 1 15 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.388 -0.107 25871 9937 1 15 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.429 1.444 25871 9938 1 15 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.142 0.049 25871 9939 1 15 . 1 1 769 769 GLU N N 769 115.170 115.170 117.689 -2.519 25871 9940 1 15 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.939 -0.007 25871 9941 1 15 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.772 0.001 25871 9942 1 15 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.099 -0.271 25871 9943 1 15 . 1 1 769 769 GLU H H 769 8.649 8.649 8.780 -0.131 25871 9944 1 15 . 1 1 770 770 GLU N N 770 121.294 121.294 119.923 1.371 25871 9945 1 15 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.225 -0.112 25871 9946 1 15 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.252 0.366 25871 9947 1 15 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.246 1.057 25871 9948 1 15 . 1 1 770 770 GLU H H 770 7.846 7.846 8.589 -0.743 25871 9949 1 15 . 1 1 771 771 PHE N N 771 119.292 119.292 118.847 0.445 25871 9950 1 15 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.072 0.170 25871 9951 1 15 . 1 1 771 771 PHE CA C 771 59.104 59.104 60.029 -0.925 25871 9952 1 15 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.801 -0.075 25871 9953 1 15 . 1 1 771 771 PHE H H 771 8.876 8.876 8.411 0.465 25871 9954 1 15 . 1 1 772 772 LYS N N 772 120.139 120.139 120.225 -0.086 25871 9955 1 15 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.922 -0.746 25871 9956 1 15 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.508 0.977 25871 9957 1 15 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.273 -0.589 25871 9958 1 15 . 1 1 772 772 LYS H H 772 8.404 8.404 7.686 0.719 25871 9959 1 15 . 1 1 773 773 ALA N N 773 118.856 118.856 121.709 -2.853 25871 9960 1 15 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.133 -0.341 25871 9961 1 15 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.438 0.529 25871 9962 1 15 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.293 -0.347 25871 9963 1 15 . 1 1 773 773 ALA H H 773 7.180 7.180 8.096 -0.916 25871 9964 1 15 . 1 1 774 774 CYS N N 774 121.600 121.600 115.914 5.686 25871 9965 1 15 . 1 1 774 774 CYS HA H 774 3.186 3.186 3.063 0.123 25871 9966 1 15 . 1 1 774 774 CYS CA C 774 61.579 61.579 60.524 1.055 25871 9967 1 15 . 1 1 774 774 CYS CB C 774 26.030 26.030 25.632 0.398 25871 9968 1 15 . 1 1 774 774 CYS H H 774 7.731 7.731 7.560 0.171 25871 9969 1 15 . 1 1 775 775 LEU N N 775 120.029 120.029 118.927 1.102 25871 9970 1 15 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.677 0.162 25871 9971 1 15 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.012 1.337 25871 9972 1 15 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.582 -1.054 25871 9973 1 15 . 1 1 775 775 LEU H H 775 8.353 8.353 7.000 1.353 25871 9974 1 15 . 1 1 776 776 ILE N N 776 121.900 121.900 119.818 2.082 25871 9975 1 15 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.033 0.196 25871 9976 1 15 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.696 0.827 25871 9977 1 15 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.540 0.721 25871 9978 1 15 . 1 1 776 776 ILE H H 776 8.405 8.405 7.308 1.097 25871 9979 1 15 . 1 1 777 777 SER N N 777 119.490 119.490 114.604 4.886 25871 9980 1 15 . 1 1 777 777 SER HA H 777 4.435 4.435 4.331 0.104 25871 9981 1 15 . 1 1 777 777 SER CA C 777 61.843 61.843 61.049 0.794 25871 9982 1 15 . 1 1 777 777 SER CB C 777 62.953 62.953 63.195 -0.242 25871 9983 1 15 . 1 1 777 777 SER H H 777 8.144 8.144 7.493 0.651 25871 9984 1 15 . 1 1 778 778 LEU N N 778 122.142 122.142 119.231 2.911 25871 9985 1 15 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.516 0.126 25871 9986 1 15 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.358 -0.281 25871 9987 1 15 . 1 1 778 778 LEU CB C 778 42.620 42.620 43.078 -0.458 25871 9988 1 15 . 1 1 778 778 LEU H H 778 7.644 7.644 7.749 -0.105 25871 9989 1 15 . 1 1 779 779 GLY N N 779 106.613 106.613 105.893 0.720 25871 9990 1 15 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.570 0.580 25871 9991 1 15 . 1 1 779 779 GLY H H 779 7.982 7.982 7.564 0.418 25871 9992 1 15 . 1 1 780 780 TYR N N 780 121.620 121.620 119.313 2.307 25871 9993 1 15 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.548 -0.383 25871 9994 1 15 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.099 2.274 25871 9995 1 15 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.629 -1.234 25871 9996 1 15 . 1 1 780 780 TYR H H 780 8.174 8.174 7.779 0.395 25871 9997 1 15 . 1 1 781 781 ASP N N 781 124.225 124.225 126.410 -2.185 25871 9998 1 15 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.737 -0.048 25871 9999 1 15 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.492 0.073 25871 10000 1 15 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.474 0.641 25871 10001 1 15 . 1 1 781 781 ASP H H 781 8.650 8.650 8.895 -0.245 25871 10002 1 15 . 1 1 782 782 ILE N N 782 123.492 123.492 121.468 2.024 25871 10003 1 15 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.283 -0.034 25871 10004 1 15 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.595 -1.105 25871 10005 1 15 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.772 0.653 25871 10006 1 15 . 1 1 782 782 ILE H H 782 7.300 7.300 7.817 -0.517 25871 10007 1 15 . 1 1 783 783 GLY N N 783 113.404 113.404 113.249 0.155 25871 10008 1 15 . 1 1 783 783 GLY CA C 783 44.630 44.630 44.914 -0.284 25871 10009 1 15 . 1 1 783 783 GLY H H 783 8.345 8.345 8.888 -0.543 25871 10010 1 15 . 1 1 784 784 ASN N N 784 119.115 119.115 115.982 3.133 25871 10011 1 15 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.246 0.682 25871 10012 1 15 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.706 -1.651 25871 10013 1 15 . 1 1 784 784 ASN CB C 784 37.467 37.467 37.761 -0.294 25871 10014 1 15 . 1 1 784 784 ASN H H 784 8.476 8.476 8.498 -0.022 25871 10015 1 15 . 1 1 785 785 ASP N N 785 119.675 119.675 119.660 0.015 25871 10016 1 15 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.718 0.102 25871 10017 1 15 . 1 1 785 785 ASP CA C 785 52.365 52.365 53.024 -0.659 25871 10018 1 15 . 1 1 785 785 ASP CB C 785 39.736 39.736 40.932 -1.196 25871 10019 1 15 . 1 1 785 785 ASP H H 785 8.081 8.081 7.806 0.275 25871 10020 1 15 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.253 0.053 25871 10021 1 15 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.286 0.927 25871 10022 1 15 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.084 -0.104 25871 10023 1 15 . 1 1 787 787 GLN N N 787 118.154 118.154 118.759 -0.605 25871 10024 1 15 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.299 -0.121 25871 10025 1 15 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.222 1.211 25871 10026 1 15 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.479 0.189 25871 10027 1 15 . 1 1 787 787 GLN H H 787 8.413 8.413 8.706 -0.293 25871 10028 1 15 . 1 1 788 788 GLY N N 788 113.343 113.343 109.598 3.745 25871 10029 1 15 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.883 0.568 25871 10030 1 15 . 1 1 788 788 GLY H H 788 8.644 8.644 8.386 0.258 25871 10031 1 15 . 1 1 789 789 GLU N N 789 121.232 121.232 121.890 -0.658 25871 10032 1 15 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.110 0.051 25871 10033 1 15 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.685 -0.252 25871 10034 1 15 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.435 0.206 25871 10035 1 15 . 1 1 789 789 GLU H H 789 8.539 8.539 8.683 -0.144 25871 10036 1 15 . 1 1 790 790 ALA N N 790 122.805 122.805 120.549 2.256 25871 10037 1 15 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.138 0.135 25871 10038 1 15 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.208 -0.260 25871 10039 1 15 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.485 -0.584 25871 10040 1 15 . 1 1 790 790 ALA H H 790 8.035 8.035 7.626 0.409 25871 10041 1 15 . 1 1 791 791 GLU N N 791 122.504 122.504 116.892 5.612 25871 10042 1 15 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.237 0.512 25871 10043 1 15 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.389 1.078 25871 10044 1 15 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.808 -1.229 25871 10045 1 15 . 1 1 791 791 GLU H H 791 8.309 8.309 7.673 0.636 25871 10046 1 15 . 1 1 792 792 PHE N N 792 119.966 119.966 122.326 -2.360 25871 10047 1 15 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.327 -0.129 25871 10048 1 15 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.390 1.229 25871 10049 1 15 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.353 -0.888 25871 10050 1 15 . 1 1 792 792 PHE H H 792 8.835 8.835 8.407 0.428 25871 10051 1 15 . 1 1 793 793 ALA N N 793 119.978 119.978 122.125 -2.147 25871 10052 1 15 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.652 0.254 25871 10053 1 15 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.042 -0.022 25871 10054 1 15 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.156 -0.520 25871 10055 1 15 . 1 1 793 793 ALA H H 793 8.147 8.147 8.455 -0.308 25871 10056 1 15 . 1 1 794 794 ARG N N 794 121.286 121.286 117.175 4.111 25871 10057 1 15 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.029 -0.092 25871 10058 1 15 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.484 1.152 25871 10059 1 15 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.871 0.386 25871 10060 1 15 . 1 1 794 794 ARG H H 794 7.953 7.953 7.767 0.186 25871 10061 1 15 . 1 1 795 795 ILE N N 795 121.594 121.594 120.742 0.852 25871 10062 1 15 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.445 -0.134 25871 10063 1 15 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.780 1.396 25871 10064 1 15 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.888 0.446 25871 10065 1 15 . 1 1 795 795 ILE H H 795 8.091 8.091 7.120 0.971 25871 10066 1 15 . 1 1 796 796 MET N N 796 118.593 118.593 116.933 1.660 25871 10067 1 15 . 1 1 796 796 MET HA H 796 4.266 4.266 4.031 0.235 25871 10068 1 15 . 1 1 796 796 MET CA C 796 56.204 56.204 58.943 -2.739 25871 10069 1 15 . 1 1 796 796 MET CB C 796 29.453 29.453 31.705 -2.252 25871 10070 1 15 . 1 1 796 796 MET H H 796 8.543 8.543 8.157 0.386 25871 10071 1 15 . 1 1 797 797 SER N N 797 114.792 114.792 114.597 0.195 25871 10072 1 15 . 1 1 797 797 SER HA H 797 4.131 4.131 4.274 -0.143 25871 10073 1 15 . 1 1 797 797 SER CA C 797 61.233 61.233 61.387 -0.154 25871 10074 1 15 . 1 1 797 797 SER CB C 797 63.017 63.017 63.113 -0.096 25871 10075 1 15 . 1 1 797 797 SER H H 797 7.740 7.740 7.603 0.137 25871 10076 1 15 . 1 1 798 798 ILE N N 798 121.041 121.041 120.280 0.761 25871 10077 1 15 . 1 1 798 798 ILE HA H 798 3.869 3.869 3.974 -0.105 25871 10078 1 15 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.812 0.127 25871 10079 1 15 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.971 -0.080 25871 10080 1 15 . 1 1 798 798 ILE H H 798 7.352 7.352 7.624 -0.272 25871 10081 1 15 . 1 1 799 799 VAL N N 799 110.418 110.418 111.634 -1.216 25871 10082 1 15 . 1 1 799 799 VAL HA H 799 4.211 4.211 3.993 0.218 25871 10083 1 15 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.421 -0.237 25871 10084 1 15 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.525 -0.115 25871 10085 1 15 . 1 1 799 799 VAL H H 799 7.806 7.806 7.846 -0.040 25871 10086 1 15 . 1 1 800 800 ASP N N 800 119.703 119.703 118.545 1.158 25871 10087 1 15 . 1 1 800 800 ASP HA H 800 5.257 5.257 4.999 0.258 25871 10088 1 15 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.782 -0.047 25871 10089 1 15 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.495 -0.161 25871 10090 1 15 . 1 1 800 800 ASP H H 800 8.124 8.124 7.504 0.620 25871 10091 1 15 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.521 -0.161 25871 10092 1 15 . 1 1 801 801 PRO CA C 801 65.035 65.035 63.838 1.197 25871 10093 1 15 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.575 -0.678 25871 10094 1 15 . 1 1 802 802 ASN N N 802 115.156 115.156 116.968 -1.812 25871 10095 1 15 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.607 0.172 25871 10096 1 15 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.132 0.096 25871 10097 1 15 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.564 -0.350 25871 10098 1 15 . 1 1 802 802 ASN H H 802 8.967 8.967 7.893 1.075 25871 10099 1 15 . 1 1 803 803 ARG N N 803 117.568 117.568 115.704 1.864 25871 10100 1 15 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.141 -0.292 25871 10101 1 15 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.453 0.523 25871 10102 1 15 . 1 1 803 803 ARG CB C 803 26.440 26.440 26.801 -0.361 25871 10103 1 15 . 1 1 803 803 ARG H H 803 8.013 8.013 7.756 0.257 25871 10104 1 15 . 1 1 804 804 LEU N N 804 122.899 122.899 119.993 2.906 25871 10105 1 15 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.234 -0.022 25871 10106 1 15 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.796 0.365 25871 10107 1 15 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.278 0.610 25871 10108 1 15 . 1 1 804 804 LEU H H 804 10.338 10.338 8.860 1.478 25871 10109 1 15 . 1 1 805 805 GLY N N 805 110.909 110.909 106.987 3.922 25871 10110 1 15 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.413 -0.132 25871 10111 1 15 . 1 1 805 805 GLY H H 805 10.955 10.955 9.030 1.925 25871 10112 1 15 . 1 1 806 806 VAL N N 806 111.683 111.683 112.869 -1.186 25871 10113 1 15 . 1 1 806 806 VAL HA H 806 4.583 4.583 4.995 -0.412 25871 10114 1 15 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.224 0.191 25871 10115 1 15 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.286 1.017 25871 10116 1 15 . 1 1 806 806 VAL H H 806 6.806 6.806 7.324 -0.518 25871 10117 1 15 . 1 1 807 807 VAL N N 807 123.649 123.649 119.654 3.995 25871 10118 1 15 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.422 -0.236 25871 10119 1 15 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.564 1.116 25871 10120 1 15 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.346 -2.443 25871 10121 1 15 . 1 1 807 807 VAL H H 807 9.156 9.156 8.736 0.420 25871 10122 1 15 . 1 1 808 808 THR N N 808 116.404 116.404 119.392 -2.988 25871 10123 1 15 . 1 1 808 808 THR HA H 808 4.782 4.782 4.779 0.003 25871 10124 1 15 . 1 1 808 808 THR CA C 808 62.526 62.526 58.958 3.568 25871 10125 1 15 . 1 1 808 808 THR CB C 808 69.707 69.707 70.557 -0.850 25871 10126 1 15 . 1 1 808 808 THR H H 808 7.948 7.948 8.275 -0.327 25871 10127 1 15 . 1 1 809 809 PHE N N 809 121.514 121.514 124.254 -2.740 25871 10128 1 15 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.487 -0.985 25871 10129 1 15 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.526 -0.748 25871 10130 1 15 . 1 1 809 809 PHE CB C 809 38.435 38.435 39.084 -0.649 25871 10131 1 15 . 1 1 809 809 PHE H H 809 8.528 8.528 8.469 0.059 25871 10132 1 15 . 1 1 810 810 GLN N N 810 116.869 116.869 118.281 -1.412 25871 10133 1 15 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.702 -0.081 25871 10134 1 15 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.927 0.621 25871 10135 1 15 . 1 1 810 810 GLN CB C 810 28.397 28.397 28.023 0.374 25871 10136 1 15 . 1 1 810 810 GLN H H 810 8.638 8.638 8.104 0.534 25871 10137 1 15 . 1 1 811 811 ALA N N 811 121.318 121.318 122.684 -1.366 25871 10138 1 15 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.995 0.153 25871 10139 1 15 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.565 0.524 25871 10140 1 15 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.655 0.585 25871 10141 1 15 . 1 1 811 811 ALA H H 811 7.795 7.795 7.613 0.182 25871 10142 1 15 . 1 1 812 812 PHE N N 812 119.498 119.498 116.562 2.936 25871 10143 1 15 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.879 0.298 25871 10144 1 15 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.339 1.158 25871 10145 1 15 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.641 0.385 25871 10146 1 15 . 1 1 812 812 PHE H H 812 8.093 8.093 7.599 0.494 25871 10147 1 15 . 1 1 813 813 ILE N N 813 119.554 119.554 117.625 1.929 25871 10148 1 15 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.618 0.527 25871 10149 1 15 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.626 -0.450 25871 10150 1 15 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.584 0.206 25871 10151 1 15 . 1 1 813 813 ILE H H 813 8.316 8.316 6.484 1.832 25871 10152 1 15 . 1 1 814 814 ASP N N 814 123.772 123.772 120.496 3.276 25871 10153 1 15 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.191 0.048 25871 10154 1 15 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.174 0.729 25871 10155 1 15 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.704 -0.462 25871 10156 1 15 . 1 1 814 814 ASP H H 814 8.434 8.434 7.327 1.107 25871 10157 1 15 . 1 1 815 815 PHE N N 815 121.079 121.079 115.072 6.007 25871 10158 1 15 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.432 -0.259 25871 10159 1 15 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.742 2.384 25871 10160 1 15 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.054 1.238 25871 10161 1 15 . 1 1 815 815 PHE H H 815 7.904 7.904 6.984 0.920 25871 10162 1 15 . 1 1 816 816 MET N N 816 117.231 117.231 121.330 -4.099 25871 10163 1 15 . 1 1 816 816 MET HA H 816 3.864 3.864 4.695 -0.831 25871 10164 1 15 . 1 1 816 816 MET CA C 816 55.934 55.934 56.820 -0.886 25871 10165 1 15 . 1 1 816 816 MET CB C 816 30.451 30.451 31.228 -0.777 25871 10166 1 15 . 1 1 816 816 MET H H 816 8.270 8.270 7.253 1.017 25871 10167 1 15 . 1 1 817 817 SER N N 817 114.308 114.308 115.767 -1.459 25871 10168 1 15 . 1 1 817 817 SER HA H 817 4.209 4.209 4.226 -0.017 25871 10169 1 15 . 1 1 817 817 SER CA C 817 60.410 60.410 60.405 0.005 25871 10170 1 15 . 1 1 817 817 SER CB C 817 63.328 63.328 62.822 0.506 25871 10171 1 15 . 1 1 817 817 SER H H 817 8.100 8.100 7.804 0.296 25871 10172 1 15 . 1 1 818 818 ARG N N 818 121.459 121.459 118.858 2.601 25871 10173 1 15 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.311 -0.147 25871 10174 1 15 . 1 1 818 818 ARG CA C 818 57.468 57.468 57.487 -0.019 25871 10175 1 15 . 1 1 818 818 ARG CB C 818 30.385 30.385 29.949 0.436 25871 10176 1 15 . 1 1 818 818 ARG H H 818 7.329 7.329 7.871 -0.542 25871 10177 1 15 . 1 1 819 819 GLU N N 819 119.944 119.944 120.365 -0.421 25871 10178 1 15 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.317 -0.153 25871 10179 1 15 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.753 -1.285 25871 10180 1 15 . 1 1 819 819 GLU CB C 819 30.526 30.526 30.096 0.430 25871 10181 1 15 . 1 1 819 819 GLU H H 819 8.059 8.059 7.987 0.072 25871 10182 1 15 . 1 1 820 820 THR N N 820 112.658 112.658 115.145 -2.487 25871 10183 1 15 . 1 1 820 820 THR HA H 820 4.309 4.309 4.484 -0.175 25871 10184 1 15 . 1 1 820 820 THR CA C 820 62.191 62.191 61.425 0.766 25871 10185 1 15 . 1 1 820 820 THR CB C 820 69.877 69.877 68.665 1.212 25871 10186 1 15 . 1 1 820 820 THR H H 820 7.789 7.789 8.218 -0.429 25871 10187 1 15 . 1 1 821 821 ALA N N 821 126.145 126.145 124.936 1.209 25871 10188 1 15 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.256 0.076 25871 10189 1 15 . 1 1 821 821 ALA CA C 821 52.816 52.816 53.286 -0.470 25871 10190 1 15 . 1 1 821 821 ALA CB C 821 19.459 19.459 19.664 -0.205 25871 10191 1 15 . 1 1 821 821 ALA H H 821 8.003 8.003 7.317 0.686 25871 10192 1 15 . 1 1 822 822 ASP N N 822 120.003 120.003 121.212 -1.209 25871 10193 1 15 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.868 -0.226 25871 10194 1 15 . 1 1 822 822 ASP CA C 822 54.439 54.439 53.276 1.163 25871 10195 1 15 . 1 1 822 822 ASP CB C 822 40.866 40.866 43.645 -2.779 25871 10196 1 15 . 1 1 822 822 ASP H H 822 8.330 8.330 8.301 0.029 25871 10197 1 15 . 1 1 823 823 THR N N 823 114.181 114.181 113.225 0.956 25871 10198 1 15 . 1 1 823 823 THR HA H 823 4.304 4.304 4.602 -0.298 25871 10199 1 15 . 1 1 823 823 THR CA C 823 62.284 62.284 60.550 1.734 25871 10200 1 15 . 1 1 823 823 THR CB C 823 69.738 69.738 70.690 -0.952 25871 10201 1 15 . 1 1 823 823 THR H H 823 8.093 8.093 8.142 -0.049 25871 10202 1 15 . 1 1 824 824 ASP N N 824 123.285 123.285 120.481 2.804 25871 10203 1 15 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.793 -0.142 25871 10204 1 15 . 1 1 824 824 ASP CA C 824 54.595 54.595 54.506 0.089 25871 10205 1 15 . 1 1 824 824 ASP CB C 824 41.145 41.145 41.697 -0.552 25871 10206 1 15 . 1 1 824 824 ASP H H 824 8.426 8.426 8.380 0.046 25871 10207 1 15 . 1 1 825 825 THR N N 825 114.970 114.970 111.861 3.109 25871 10208 1 15 . 1 1 825 825 THR HA H 825 4.313 4.313 4.699 -0.386 25871 10209 1 15 . 1 1 825 825 THR CA C 825 62.329 62.329 60.435 1.894 25871 10210 1 15 . 1 1 825 825 THR CB C 825 69.541 69.541 71.552 -2.011 25871 10211 1 15 . 1 1 825 825 THR H H 825 8.157 8.157 8.921 -0.764 25871 10212 1 15 . 1 1 826 826 ALA N N 826 124.991 124.991 126.349 -1.358 25871 10213 1 15 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.155 0.046 25871 10214 1 15 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.436 0.037 25871 10215 1 15 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.212 0.484 25871 10216 1 15 . 1 1 826 826 ALA H H 826 8.374 8.374 8.930 -0.556 25871 10217 1 15 . 1 1 827 827 ASP N N 827 117.795 117.795 118.355 -0.560 25871 10218 1 15 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.369 0.093 25871 10219 1 15 . 1 1 827 827 ASP CA C 827 56.151 56.151 56.953 -0.802 25871 10220 1 15 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.815 0.114 25871 10221 1 15 . 1 1 827 827 ASP H H 827 8.255 8.255 8.760 -0.505 25871 10222 1 15 . 1 1 828 828 GLN N N 828 120.646 120.646 118.205 2.441 25871 10223 1 15 . 1 1 828 828 GLN HA H 828 4.121 4.121 4.011 0.110 25871 10224 1 15 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.678 -0.728 25871 10225 1 15 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.758 -0.172 25871 10226 1 15 . 1 1 828 828 GLN H H 828 8.086 8.086 7.742 0.344 25871 10227 1 15 . 1 1 829 829 VAL N N 829 120.933 120.933 119.180 1.753 25871 10228 1 15 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.749 -0.198 25871 10229 1 15 . 1 1 829 829 VAL CA C 829 65.321 65.321 63.706 1.615 25871 10230 1 15 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.986 -0.236 25871 10231 1 15 . 1 1 829 829 VAL H H 829 8.048 8.048 7.349 0.699 25871 10232 1 15 . 1 1 830 830 MET N N 830 119.386 119.386 120.493 -1.107 25871 10233 1 15 . 1 1 830 830 MET HA H 830 4.030 4.030 4.329 -0.299 25871 10234 1 15 . 1 1 830 830 MET CA C 830 58.013 58.013 59.081 -1.068 25871 10235 1 15 . 1 1 830 830 MET CB C 830 32.110 32.110 32.609 -0.499 25871 10236 1 15 . 1 1 830 830 MET H H 830 8.088 8.088 8.415 -0.327 25871 10237 1 15 . 1 1 831 831 ALA N N 831 121.027 121.027 120.649 0.378 25871 10238 1 15 . 1 1 831 831 ALA HA H 831 4.075 4.075 3.981 0.094 25871 10239 1 15 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.270 -0.651 25871 10240 1 15 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.027 0.098 25871 10241 1 15 . 1 1 831 831 ALA H H 831 7.829 7.829 8.357 -0.528 25871 10242 1 15 . 1 1 832 832 SER N N 832 114.314 114.314 114.689 -0.375 25871 10243 1 15 . 1 1 832 832 SER HA H 832 4.181 4.181 4.164 0.017 25871 10244 1 15 . 1 1 832 832 SER CA C 832 61.039 61.039 61.461 -0.422 25871 10245 1 15 . 1 1 832 832 SER CB C 832 62.671 62.671 62.894 -0.223 25871 10246 1 15 . 1 1 832 832 SER H H 832 7.711 7.711 7.285 0.426 25871 10247 1 15 . 1 1 833 833 PHE N N 833 121.898 121.898 120.722 1.176 25871 10248 1 15 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.096 0.134 25871 10249 1 15 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.333 -0.899 25871 10250 1 15 . 1 1 833 833 PHE CB C 833 38.249 38.249 37.851 0.398 25871 10251 1 15 . 1 1 833 833 PHE H H 833 7.717 7.717 7.268 0.449 25871 10252 1 15 . 1 1 834 834 LYS N N 834 118.752 118.752 119.597 -0.845 25871 10253 1 15 . 1 1 834 834 LYS HA H 834 3.622 3.622 4.142 -0.520 25871 10254 1 15 . 1 1 834 834 LYS CA C 834 59.425 59.425 58.836 0.589 25871 10255 1 15 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.210 -0.026 25871 10256 1 15 . 1 1 834 834 LYS H H 834 7.844 7.844 8.244 -0.400 25871 10257 1 15 . 1 1 835 835 ILE N N 835 118.528 118.528 117.958 0.570 25871 10258 1 15 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.825 -0.055 25871 10259 1 15 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.141 -0.422 25871 10260 1 15 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.306 -0.400 25871 10261 1 15 . 1 1 835 835 ILE H H 835 7.311 7.311 7.329 -0.018 25871 10262 1 15 . 1 1 836 836 LEU N N 836 121.176 121.176 117.108 4.068 25871 10263 1 15 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.309 -0.319 25871 10264 1 15 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.780 0.386 25871 10265 1 15 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.794 0.702 25871 10266 1 15 . 1 1 836 836 LEU H H 836 7.617 7.617 7.211 0.406 25871 10267 1 15 . 1 1 837 837 ALA N N 837 119.189 119.189 120.886 -1.697 25871 10268 1 15 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.426 -0.502 25871 10269 1 15 . 1 1 837 837 ALA CA C 837 53.417 53.417 51.381 2.036 25871 10270 1 15 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.616 0.776 25871 10271 1 15 . 1 1 837 837 ALA H H 837 8.092 8.092 8.377 -0.285 25871 10272 1 15 . 1 1 838 838 GLY N N 838 106.965 106.965 108.029 -1.064 25871 10273 1 15 . 1 1 838 838 GLY CA C 838 47.029 47.029 46.911 0.117 25871 10274 1 15 . 1 1 838 838 GLY H H 838 7.667 7.667 8.288 -0.621 25871 10275 1 15 . 1 1 839 839 ASP N N 839 122.392 122.392 119.471 2.921 25871 10276 1 15 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.592 -0.075 25871 10277 1 15 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.084 -0.503 25871 10278 1 15 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.211 -0.627 25871 10279 1 15 . 1 1 839 839 ASP H H 839 8.703 8.703 8.413 0.290 25871 10280 1 15 . 1 1 840 840 LYS N N 840 117.603 117.603 116.888 0.715 25871 10281 1 15 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.701 -0.369 25871 10282 1 15 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.548 1.419 25871 10283 1 15 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.111 -1.360 25871 10284 1 15 . 1 1 840 840 LYS H H 840 7.592 7.592 7.604 -0.012 25871 10285 1 15 . 1 1 841 841 ASN N N 841 116.654 116.654 117.105 -0.451 25871 10286 1 15 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.895 -0.253 25871 10287 1 15 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.158 0.538 25871 10288 1 15 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.044 0.212 25871 10289 1 15 . 1 1 841 841 ASN H H 841 8.689 8.689 9.023 -0.334 25871 10290 1 15 . 1 1 842 842 TYR N N 842 112.231 112.231 113.514 -1.283 25871 10291 1 15 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.919 0.094 25871 10292 1 15 . 1 1 842 842 TYR CA C 842 55.133 55.133 56.977 -1.844 25871 10293 1 15 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.469 1.159 25871 10294 1 15 . 1 1 842 842 TYR H H 842 6.638 6.638 7.287 -0.649 25871 10295 1 15 . 1 1 843 843 ILE N N 843 115.455 115.455 119.249 -3.794 25871 10296 1 15 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.506 0.294 25871 10297 1 15 . 1 1 843 843 ILE CA C 843 59.462 59.462 58.566 0.896 25871 10298 1 15 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.704 0.765 25871 10299 1 15 . 1 1 843 843 ILE H H 843 8.626 8.626 9.081 -0.455 25871 10300 1 15 . 1 1 844 844 THR N N 844 117.140 117.140 116.601 0.539 25871 10301 1 15 . 1 1 844 844 THR HA H 844 5.393 5.393 5.245 0.148 25871 10302 1 15 . 1 1 844 844 THR CA C 844 60.380 60.380 59.788 0.592 25871 10303 1 15 . 1 1 844 844 THR CB C 844 71.475 71.475 71.249 0.226 25871 10304 1 15 . 1 1 844 844 THR H H 844 9.329 9.329 8.930 0.399 25871 10305 1 15 . 1 1 845 845 MET N N 845 119.879 119.879 119.750 0.129 25871 10306 1 15 . 1 1 845 845 MET HA H 845 3.852 3.852 4.002 -0.150 25871 10307 1 15 . 1 1 845 845 MET CA C 845 60.389 60.389 60.468 -0.079 25871 10308 1 15 . 1 1 845 845 MET CB C 845 33.110 33.110 32.251 0.859 25871 10309 1 15 . 1 1 845 845 MET H H 845 8.555 8.555 8.603 -0.048 25871 10310 1 15 . 1 1 846 846 ASP N N 846 116.360 116.360 118.571 -2.211 25871 10311 1 15 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.415 -0.105 25871 10312 1 15 . 1 1 846 846 ASP CA C 846 57.489 57.489 56.990 0.499 25871 10313 1 15 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.698 -0.026 25871 10314 1 15 . 1 1 846 846 ASP H H 846 8.375 8.375 8.433 -0.058 25871 10315 1 15 . 1 1 847 847 GLU N N 847 120.575 120.575 120.001 0.574 25871 10316 1 15 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.000 -0.114 25871 10317 1 15 . 1 1 847 847 GLU CA C 847 59.754 59.754 59.370 0.384 25871 10318 1 15 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.793 -0.036 25871 10319 1 15 . 1 1 847 847 GLU H H 847 7.852 7.852 7.461 0.391 25871 10320 1 15 . 1 1 848 848 LEU N N 848 118.753 118.753 117.747 1.006 25871 10321 1 15 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.191 -0.331 25871 10322 1 15 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.173 0.510 25871 10323 1 15 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.365 1.159 25871 10324 1 15 . 1 1 848 848 LEU H H 848 7.834 7.834 7.950 -0.116 25871 10325 1 15 . 1 1 849 849 ARG N N 849 113.976 113.976 119.109 -5.133 25871 10326 1 15 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.042 -0.082 25871 10327 1 15 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.938 -0.342 25871 10328 1 15 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.214 -0.069 25871 10329 1 15 . 1 1 849 849 ARG H H 849 8.055 8.055 7.772 0.283 25871 10330 1 15 . 1 1 850 850 ARG N N 850 118.184 118.184 117.734 0.450 25871 10331 1 15 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.233 -0.002 25871 10332 1 15 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.170 0.208 25871 10333 1 15 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.522 1.591 25871 10334 1 15 . 1 1 850 850 ARG H H 850 7.739 7.739 7.594 0.145 25871 10335 1 15 . 1 1 851 851 GLU N N 851 115.550 115.550 118.759 -3.209 25871 10336 1 15 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.266 0.114 25871 10337 1 15 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.096 -1.101 25871 10338 1 15 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.616 1.069 25871 10339 1 15 . 1 1 851 851 GLU H H 851 7.591 7.591 7.606 -0.015 25871 10340 1 15 . 1 1 852 852 LEU N N 852 119.170 119.170 120.030 -0.860 25871 10341 1 15 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.838 0.088 25871 10342 1 15 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.309 -0.018 25871 10343 1 15 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.758 0.880 25871 10344 1 15 . 1 1 852 852 LEU H H 852 7.891 7.891 7.608 0.283 25871 10345 1 15 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.552 -0.247 25871 10346 1 15 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.344 4.058 25871 10347 1 15 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.263 0.061 25871 10348 1 15 . 1 1 855 855 ASP N N 855 114.853 114.853 118.647 -3.794 25871 10349 1 15 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.291 0.088 25871 10350 1 15 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.291 -0.233 25871 10351 1 15 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.157 -0.918 25871 10352 1 15 . 1 1 855 855 ASP H H 855 8.796 8.796 8.611 0.185 25871 10353 1 15 . 1 1 856 856 GLN N N 856 121.513 121.513 118.685 2.828 25871 10354 1 15 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.942 0.298 25871 10355 1 15 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.425 -0.041 25871 10356 1 15 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.864 1.478 25871 10357 1 15 . 1 1 856 856 GLN H H 856 7.471 7.471 8.352 -0.881 25871 10358 1 15 . 1 1 857 857 ALA N N 857 122.821 122.821 121.844 0.977 25871 10359 1 15 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.015 -0.185 25871 10360 1 15 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.962 0.443 25871 10361 1 15 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.268 -0.284 25871 10362 1 15 . 1 1 857 857 ALA H H 857 8.889 8.889 8.157 0.732 25871 10363 1 15 . 1 1 858 858 GLU N N 858 114.091 114.091 119.147 -5.056 25871 10364 1 15 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.052 0.004 25871 10365 1 15 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.639 -0.858 25871 10366 1 15 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.616 -0.949 25871 10367 1 15 . 1 1 858 858 GLU H H 858 8.143 8.143 7.826 0.317 25871 10368 1 15 . 1 1 859 859 TYR N N 859 120.670 120.670 118.930 1.740 25871 10369 1 15 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.295 -0.168 25871 10370 1 15 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.004 0.144 25871 10371 1 15 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.870 0.868 25871 10372 1 15 . 1 1 859 859 TYR H H 859 7.708 7.708 8.748 -1.040 25871 10373 1 15 . 1 1 860 860 CYS N N 860 115.848 115.848 119.280 -3.432 25871 10374 1 15 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.075 0.113 25871 10375 1 15 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.143 0.295 25871 10376 1 15 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.445 0.020 25871 10377 1 15 . 1 1 860 860 CYS H H 860 8.119 8.119 7.966 0.153 25871 10378 1 15 . 1 1 861 861 ILE N N 861 120.124 120.124 121.092 -0.968 25871 10379 1 15 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.570 -0.205 25871 10380 1 15 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.817 -0.085 25871 10381 1 15 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.782 0.940 25871 10382 1 15 . 1 1 861 861 ILE H H 861 8.451 8.451 8.325 0.126 25871 10383 1 15 . 1 1 862 862 ALA N N 862 116.691 116.691 119.519 -2.828 25871 10384 1 15 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.179 0.071 25871 10385 1 15 . 1 1 862 862 ALA CA C 862 53.428 53.428 53.992 -0.564 25871 10386 1 15 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.296 0.779 25871 10387 1 15 . 1 1 862 862 ALA H H 862 7.304 7.304 8.284 -0.980 25871 10388 1 15 . 1 1 863 863 ARG N N 863 117.259 117.259 115.860 1.399 25871 10389 1 15 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.042 0.250 25871 10390 1 15 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.347 1.092 25871 10391 1 15 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.989 -0.531 25871 10392 1 15 . 1 1 863 863 ARG H H 863 7.357 7.357 7.613 -0.256 25871 10393 1 15 . 1 1 864 864 MET N N 864 117.570 117.570 120.484 -2.914 25871 10394 1 15 . 1 1 864 864 MET HA H 864 4.598 4.598 4.152 0.446 25871 10395 1 15 . 1 1 864 864 MET CA C 864 55.180 55.180 56.881 -1.701 25871 10396 1 15 . 1 1 864 864 MET CB C 864 37.428 37.428 33.680 3.748 25871 10397 1 15 . 1 1 864 864 MET H H 864 7.147 7.147 7.990 -0.843 25871 10398 1 15 . 1 1 865 865 ALA N N 865 124.616 124.616 127.052 -2.436 25871 10399 1 15 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.843 -0.910 25871 10400 1 15 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.937 -0.657 25871 10401 1 15 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.471 0.177 25871 10402 1 15 . 1 1 865 865 ALA H H 865 8.548 8.548 8.576 -0.028 25871 10403 1 15 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.502 0.017 25871 10404 1 15 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.465 0.356 25871 10405 1 15 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.430 -0.439 25871 10406 1 15 . 1 1 867 867 TYR N N 867 122.454 122.454 123.912 -1.458 25871 10407 1 15 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.624 -0.469 25871 10408 1 15 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.577 -0.626 25871 10409 1 15 . 1 1 867 867 TYR CB C 867 43.347 43.347 40.549 2.798 25871 10410 1 15 . 1 1 867 867 TYR H H 867 8.127 8.127 8.167 -0.040 25871 10411 1 15 . 1 1 869 869 GLY N N 869 105.881 105.881 111.992 -6.111 25871 10412 1 15 . 1 1 869 869 GLY CA C 869 45.090 45.090 44.520 0.570 25871 10413 1 15 . 1 1 869 869 GLY H H 869 5.440 5.440 7.571 -2.131 25871 10414 1 15 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.421 -0.060 25871 10415 1 15 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.352 0.490 25871 10416 1 15 . 1 1 870 870 PRO CB C 870 31.630 31.630 32.134 -0.504 25871 10417 1 15 . 1 1 871 871 ASP N N 871 116.217 116.217 119.172 -2.955 25871 10418 1 15 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.887 -0.251 25871 10419 1 15 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.838 -0.888 25871 10420 1 15 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.990 -1.840 25871 10421 1 15 . 1 1 871 871 ASP H H 871 9.263 9.263 8.216 1.047 25871 10422 1 15 . 1 1 872 872 SER N N 872 112.352 112.352 115.370 -3.018 25871 10423 1 15 . 1 1 872 872 SER HA H 872 3.530 3.530 4.283 -0.753 25871 10424 1 15 . 1 1 872 872 SER CA C 872 59.184 59.184 59.192 -0.008 25871 10425 1 15 . 1 1 872 872 SER CB C 872 63.286 63.286 64.191 -0.905 25871 10426 1 15 . 1 1 872 872 SER H H 872 7.487 7.487 7.649 -0.162 25871 10427 1 15 . 1 1 873 873 VAL N N 873 113.588 113.588 113.755 -0.167 25871 10428 1 15 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.643 0.110 25871 10429 1 15 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.210 -0.142 25871 10430 1 15 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.575 -0.658 25871 10431 1 15 . 1 1 873 873 VAL H H 873 6.411 6.411 7.701 -1.290 25871 10432 1 15 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.373 -0.043 25871 10433 1 15 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.707 -0.397 25871 10434 1 15 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.780 -0.157 25871 10435 1 15 . 1 1 875 875 GLY N N 875 112.109 112.109 105.351 6.758 25871 10436 1 15 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.192 1.300 25871 10437 1 15 . 1 1 875 875 GLY H H 875 8.798 8.798 8.199 0.599 25871 10438 1 15 . 1 1 876 876 ALA N N 876 120.267 120.267 124.143 -3.876 25871 10439 1 15 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.287 -1.150 25871 10440 1 15 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.875 2.388 25871 10441 1 15 . 1 1 876 876 ALA CB C 876 20.554 20.554 20.872 -0.318 25871 10442 1 15 . 1 1 876 876 ALA H H 876 7.762 7.762 7.786 -0.024 25871 10443 1 15 . 1 1 877 877 LEU N N 877 125.696 125.696 123.172 2.524 25871 10444 1 15 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.065 -0.261 25871 10445 1 15 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.893 0.399 25871 10446 1 15 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.598 -1.757 25871 10447 1 15 . 1 1 877 877 LEU H H 877 9.598 9.598 9.425 0.173 25871 10448 1 15 . 1 1 878 878 ASP N N 878 119.836 119.836 122.961 -3.125 25871 10449 1 15 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.025 -0.106 25871 10450 1 15 . 1 1 878 878 ASP CA C 878 52.130 52.130 53.109 -0.979 25871 10451 1 15 . 1 1 878 878 ASP CB C 878 40.798 40.798 42.162 -1.364 25871 10452 1 15 . 1 1 878 878 ASP H H 878 9.028 9.028 8.646 0.382 25871 10453 1 15 . 1 1 879 879 TYR N N 879 126.600 126.600 124.503 2.097 25871 10454 1 15 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.328 0.290 25871 10455 1 15 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.474 0.083 25871 10456 1 15 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.262 -0.738 25871 10457 1 15 . 1 1 879 879 TYR H H 879 7.454 7.454 8.165 -0.711 25871 10458 1 15 . 1 1 880 880 MET N N 880 119.910 119.910 119.097 0.813 25871 10459 1 15 . 1 1 880 880 MET HA H 880 4.619 4.619 3.829 0.790 25871 10460 1 15 . 1 1 880 880 MET CA C 880 56.205 56.205 56.289 -0.084 25871 10461 1 15 . 1 1 880 880 MET CB C 880 32.338 32.338 30.956 1.382 25871 10462 1 15 . 1 1 880 880 MET H H 880 7.620 7.620 7.496 0.124 25871 10463 1 15 . 1 1 881 881 SER N N 881 114.353 114.353 113.386 0.967 25871 10464 1 15 . 1 1 881 881 SER HA H 881 4.501 4.501 4.463 0.038 25871 10465 1 15 . 1 1 881 881 SER CA C 881 58.957 58.957 59.698 -0.741 25871 10466 1 15 . 1 1 881 881 SER CB C 881 64.284 64.284 63.382 0.902 25871 10467 1 15 . 1 1 881 881 SER H H 881 7.721 7.721 8.041 -0.320 25871 10468 1 15 . 1 1 882 882 PHE N N 882 122.746 122.746 124.703 -1.957 25871 10469 1 15 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.647 0.102 25871 10470 1 15 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.371 -0.920 25871 10471 1 15 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.894 1.402 25871 10472 1 15 . 1 1 882 882 PHE H H 882 7.386 7.386 7.752 -0.366 25871 10473 1 15 . 1 1 883 883 SER N N 883 120.214 120.214 112.055 8.159 25871 10474 1 15 . 1 1 883 883 SER HA H 883 4.338 4.338 3.877 0.461 25871 10475 1 15 . 1 1 883 883 SER CA C 883 57.455 57.455 60.268 -2.813 25871 10476 1 15 . 1 1 883 883 SER CB C 883 64.684 64.684 63.003 1.681 25871 10477 1 15 . 1 1 883 883 SER H H 883 7.464 7.464 8.574 -1.110 25871 10478 1 15 . 1 1 884 884 THR N N 884 110.671 110.671 112.763 -2.092 25871 10479 1 15 . 1 1 884 884 THR HA H 884 4.008 4.008 4.392 -0.384 25871 10480 1 15 . 1 1 884 884 THR CA C 884 63.367 63.367 61.313 2.054 25871 10481 1 15 . 1 1 884 884 THR CB C 884 69.088 69.088 69.775 -0.687 25871 10482 1 15 . 1 1 884 884 THR H H 884 7.993 7.993 7.410 0.583 25871 10483 1 15 . 1 1 885 885 ALA N N 885 125.453 125.453 124.382 1.071 25871 10484 1 15 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.718 -0.448 25871 10485 1 15 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.058 0.102 25871 10486 1 15 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.006 -1.696 25871 10487 1 15 . 1 1 885 885 ALA H H 885 7.905 7.905 7.443 0.462 25871 10488 1 15 . 1 1 886 886 LEU N N 886 120.791 120.791 119.903 0.888 25871 10489 1 15 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.736 -1.689 25871 10490 1 15 . 1 1 886 886 LEU CA C 886 55.496 55.496 53.544 1.952 25871 10491 1 15 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.069 -2.730 25871 10492 1 15 . 1 1 886 886 LEU H H 886 8.087 8.087 8.043 0.044 25871 10493 1 15 . 1 1 887 887 TYR N N 887 121.620 121.620 119.485 2.135 25871 10494 1 15 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.878 -0.475 25871 10495 1 15 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.022 1.772 25871 10496 1 15 . 1 1 887 887 TYR CB C 887 38.621 38.621 38.936 -0.315 25871 10497 1 15 . 1 1 887 887 TYR H H 887 8.272 8.272 8.233 0.039 25871 10498 1 15 . 1 1 888 888 GLY N N 888 112.443 112.443 109.732 2.711 25871 10499 1 15 . 1 1 888 888 GLY CA C 888 45.195 45.195 45.531 -0.336 25871 10500 1 15 . 1 1 888 888 GLY H H 888 8.087 8.087 7.242 0.845 25871 10501 1 15 . 1 1 889 889 GLU N N 889 120.272 120.272 118.908 1.364 25871 10502 1 15 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.172 0.123 25871 10503 1 15 . 1 1 889 889 GLU CA C 889 56.593 56.593 57.609 -1.016 25871 10504 1 15 . 1 1 889 889 GLU CB C 889 30.601 30.601 30.091 0.510 25871 10505 1 15 . 1 1 889 889 GLU H H 889 7.991 7.991 8.462 -0.471 25871 10506 1 15 . 1 1 890 890 SER N N 890 116.330 116.330 114.985 1.345 25871 10507 1 15 . 1 1 890 890 SER HA H 890 4.452 4.452 4.487 -0.035 25871 10508 1 15 . 1 1 890 890 SER CA C 890 58.334 58.334 58.756 -0.422 25871 10509 1 15 . 1 1 890 890 SER CB C 890 64.174 64.174 63.872 0.302 25871 10510 1 15 . 1 1 890 890 SER H H 890 8.325 8.325 8.062 0.263 25871 10511 1 15 . 1 1 891 891 ASP N N 891 122.987 122.987 121.382 1.605 25871 10512 1 15 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.550 0.102 25871 10513 1 15 . 1 1 891 891 ASP CA C 891 54.534 54.534 54.884 -0.350 25871 10514 1 15 . 1 1 891 891 ASP CB C 891 40.981 40.981 41.065 -0.084 25871 10515 1 15 . 1 1 891 891 ASP H H 891 8.387 8.387 8.463 -0.076 25871 10516 1 16 . 1 1 743 743 ILE N N 743 122.085 122.085 127.984 -5.899 25871 10517 1 16 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.150 0.206 25871 10518 1 16 . 1 1 743 743 ILE CA C 743 60.624 60.624 62.035 -1.411 25871 10519 1 16 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.624 0.399 25871 10520 1 16 . 1 1 743 743 ILE H H 743 8.122 8.122 8.023 0.099 25871 10521 1 16 . 1 1 744 744 SER N N 744 123.378 123.378 122.796 0.582 25871 10522 1 16 . 1 1 744 744 SER HA H 744 4.472 4.472 4.736 -0.264 25871 10523 1 16 . 1 1 744 744 SER CA C 744 57.581 57.581 57.331 0.251 25871 10524 1 16 . 1 1 744 744 SER CB C 744 65.276 65.276 64.918 0.357 25871 10525 1 16 . 1 1 744 744 SER H H 744 8.844 8.844 8.386 0.458 25871 10526 1 16 . 1 1 745 745 GLN N N 745 121.612 121.612 121.871 -0.259 25871 10527 1 16 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.078 -0.100 25871 10528 1 16 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.421 -0.534 25871 10529 1 16 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.720 -0.194 25871 10530 1 16 . 1 1 745 745 GLN H H 745 9.035 9.035 8.970 0.065 25871 10531 1 16 . 1 1 746 746 GLU N N 746 118.618 118.618 118.775 -0.157 25871 10532 1 16 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.078 -0.044 25871 10533 1 16 . 1 1 746 746 GLU CA C 746 60.297 60.297 59.702 0.595 25871 10534 1 16 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.553 0.391 25871 10535 1 16 . 1 1 746 746 GLU H H 746 8.718 8.718 8.771 -0.053 25871 10536 1 16 . 1 1 747 747 GLN N N 747 120.436 120.436 119.073 1.363 25871 10537 1 16 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.010 -0.186 25871 10538 1 16 . 1 1 747 747 GLN CA C 747 58.504 58.504 59.152 -0.648 25871 10539 1 16 . 1 1 747 747 GLN CB C 747 28.955 28.955 28.411 0.544 25871 10540 1 16 . 1 1 747 747 GLN H H 747 7.821 7.821 8.219 -0.398 25871 10541 1 16 . 1 1 748 748 MET N N 748 119.174 119.174 118.226 0.948 25871 10542 1 16 . 1 1 748 748 MET HA H 748 4.228 4.228 4.483 -0.255 25871 10543 1 16 . 1 1 748 748 MET CA C 748 58.305 58.305 59.244 -0.939 25871 10544 1 16 . 1 1 748 748 MET CB C 748 30.922 30.922 32.532 -1.610 25871 10545 1 16 . 1 1 748 748 MET H H 748 8.477 8.477 8.437 0.040 25871 10546 1 16 . 1 1 749 749 ASN N N 749 117.610 117.610 119.148 -1.538 25871 10547 1 16 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.477 0.028 25871 10548 1 16 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.828 -0.866 25871 10549 1 16 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.496 -0.591 25871 10550 1 16 . 1 1 749 749 ASN H H 749 8.302 8.302 8.157 0.145 25871 10551 1 16 . 1 1 750 750 GLU N N 750 122.737 122.737 119.812 2.925 25871 10552 1 16 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.169 0.077 25871 10553 1 16 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.983 0.542 25871 10554 1 16 . 1 1 750 750 GLU CB C 750 29.409 29.409 28.971 0.438 25871 10555 1 16 . 1 1 750 750 GLU H H 750 7.789 7.789 8.036 -0.247 25871 10556 1 16 . 1 1 751 751 PHE N N 751 120.358 120.358 120.997 -0.639 25871 10557 1 16 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.388 0.590 25871 10558 1 16 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.354 -3.711 25871 10559 1 16 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.924 -1.446 25871 10560 1 16 . 1 1 751 751 PHE H H 751 8.772 8.772 8.200 0.572 25871 10561 1 16 . 1 1 752 752 ARG N N 752 120.173 120.173 119.355 0.818 25871 10562 1 16 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.487 -0.340 25871 10563 1 16 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.651 -2.850 25871 10564 1 16 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.223 0.139 25871 10565 1 16 . 1 1 752 752 ARG H H 752 8.990 8.990 8.382 0.608 25871 10566 1 16 . 1 1 753 753 ALA N N 753 120.965 120.965 122.618 -1.653 25871 10567 1 16 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.248 0.007 25871 10568 1 16 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.190 0.235 25871 10569 1 16 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.144 -0.132 25871 10570 1 16 . 1 1 753 753 ALA H H 753 8.136 8.136 8.484 -0.348 25871 10571 1 16 . 1 1 754 754 SER N N 754 115.350 115.350 114.950 0.400 25871 10572 1 16 . 1 1 754 754 SER HA H 754 4.451 4.451 4.335 0.116 25871 10573 1 16 . 1 1 754 754 SER CA C 754 63.045 63.045 61.487 1.558 25871 10574 1 16 . 1 1 754 754 SER CB C 754 63.111 63.111 63.303 -0.192 25871 10575 1 16 . 1 1 754 754 SER H H 754 8.366 8.366 8.549 -0.183 25871 10576 1 16 . 1 1 755 755 PHE N N 755 121.902 121.902 121.748 0.154 25871 10577 1 16 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.321 -0.335 25871 10578 1 16 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.497 1.856 25871 10579 1 16 . 1 1 755 755 PHE CB C 755 40.165 40.165 38.950 1.215 25871 10580 1 16 . 1 1 755 755 PHE H H 755 8.498 8.498 7.890 0.608 25871 10581 1 16 . 1 1 756 756 ASN N N 756 114.071 114.071 117.551 -3.480 25871 10582 1 16 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.804 0.726 25871 10583 1 16 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.353 0.451 25871 10584 1 16 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.493 -0.561 25871 10585 1 16 . 1 1 756 756 ASN H H 756 8.722 8.722 8.054 0.668 25871 10586 1 16 . 1 1 757 757 HIS N N 757 119.524 119.524 118.999 0.525 25871 10587 1 16 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.301 -0.179 25871 10588 1 16 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.740 -0.271 25871 10589 1 16 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.252 -0.205 25871 10590 1 16 . 1 1 757 757 HIS H H 757 8.027 8.027 8.220 -0.193 25871 10591 1 16 . 1 1 758 758 PHE N N 758 113.439 113.439 116.999 -3.560 25871 10592 1 16 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.572 -0.465 25871 10593 1 16 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.913 0.155 25871 10594 1 16 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.691 0.297 25871 10595 1 16 . 1 1 758 758 PHE H H 758 7.322 7.322 8.343 -1.021 25871 10596 1 16 . 1 1 759 759 ASP N N 759 121.632 121.632 119.766 1.866 25871 10597 1 16 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.765 -0.149 25871 10598 1 16 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.441 0.167 25871 10599 1 16 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.322 -0.641 25871 10600 1 16 . 1 1 759 759 ASP H H 759 7.439 7.439 8.407 -0.968 25871 10601 1 16 . 1 1 760 760 ARG N N 760 123.429 123.429 122.460 0.969 25871 10602 1 16 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.718 0.107 25871 10603 1 16 . 1 1 760 760 ARG CA C 760 58.631 58.631 56.132 2.499 25871 10604 1 16 . 1 1 760 760 ARG CB C 760 30.073 30.073 29.597 0.476 25871 10605 1 16 . 1 1 760 760 ARG H H 760 7.797 7.797 7.741 0.056 25871 10606 1 16 . 1 1 761 761 ASP N N 761 115.027 115.027 117.630 -2.603 25871 10607 1 16 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.549 -0.068 25871 10608 1 16 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.892 -1.414 25871 10609 1 16 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.192 -1.692 25871 10610 1 16 . 1 1 761 761 ASP H H 761 8.470 8.470 7.701 0.769 25871 10611 1 16 . 1 1 762 762 HIS N N 762 117.442 117.442 116.786 0.656 25871 10612 1 16 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.479 -0.242 25871 10613 1 16 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.898 -0.405 25871 10614 1 16 . 1 1 762 762 HIS CB C 762 26.581 26.581 27.137 -0.556 25871 10615 1 16 . 1 1 762 762 HIS H H 762 7.716 7.716 7.586 0.130 25871 10616 1 16 . 1 1 763 763 SER N N 763 117.624 117.624 114.871 2.753 25871 10617 1 16 . 1 1 763 763 SER HA H 763 4.441 4.441 4.426 0.015 25871 10618 1 16 . 1 1 763 763 SER CA C 763 59.706 59.706 59.631 0.075 25871 10619 1 16 . 1 1 763 763 SER CB C 763 65.228 65.228 64.945 0.283 25871 10620 1 16 . 1 1 763 763 SER H H 763 9.708 9.708 8.313 1.395 25871 10621 1 16 . 1 1 764 764 GLY N N 764 117.320 117.320 112.072 5.248 25871 10622 1 16 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.539 0.220 25871 10623 1 16 . 1 1 764 764 GLY H H 764 11.185 11.185 9.568 1.617 25871 10624 1 16 . 1 1 765 765 THR N N 765 110.392 110.392 111.294 -0.902 25871 10625 1 16 . 1 1 765 765 THR HA H 765 5.197 5.197 5.289 -0.092 25871 10626 1 16 . 1 1 765 765 THR CA C 765 59.125 59.125 60.444 -1.319 25871 10627 1 16 . 1 1 765 765 THR CB C 765 73.022 73.022 72.299 0.723 25871 10628 1 16 . 1 1 765 765 THR H H 765 7.972 7.972 7.921 0.051 25871 10629 1 16 . 1 1 766 766 LEU N N 766 117.658 117.658 118.188 -0.530 25871 10630 1 16 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.656 0.168 25871 10631 1 16 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.188 -0.436 25871 10632 1 16 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.764 -1.551 25871 10633 1 16 . 1 1 766 766 LEU H H 766 8.589 8.589 8.520 0.069 25871 10634 1 16 . 1 1 767 767 GLY N N 767 108.644 108.644 107.232 1.412 25871 10635 1 16 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.282 0.654 25871 10636 1 16 . 1 1 767 767 GLY H H 767 8.601 8.601 8.265 0.336 25871 10637 1 16 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.430 -0.149 25871 10638 1 16 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.357 1.516 25871 10639 1 16 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.180 0.011 25871 10640 1 16 . 1 1 769 769 GLU N N 769 115.170 115.170 119.727 -4.557 25871 10641 1 16 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.981 -0.049 25871 10642 1 16 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.760 0.013 25871 10643 1 16 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.004 -0.176 25871 10644 1 16 . 1 1 769 769 GLU H H 769 8.649 8.649 8.644 0.005 25871 10645 1 16 . 1 1 770 770 GLU N N 770 121.294 121.294 120.366 0.928 25871 10646 1 16 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.252 -0.139 25871 10647 1 16 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.786 -0.168 25871 10648 1 16 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.376 0.927 25871 10649 1 16 . 1 1 770 770 GLU H H 770 7.846 7.846 8.610 -0.764 25871 10650 1 16 . 1 1 771 771 PHE N N 771 119.292 119.292 118.850 0.442 25871 10651 1 16 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.084 0.158 25871 10652 1 16 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.832 -0.728 25871 10653 1 16 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.899 -0.173 25871 10654 1 16 . 1 1 771 771 PHE H H 771 8.876 8.876 8.371 0.505 25871 10655 1 16 . 1 1 772 772 LYS N N 772 120.139 120.139 120.283 -0.144 25871 10656 1 16 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.912 -0.736 25871 10657 1 16 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.564 0.921 25871 10658 1 16 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.261 -0.578 25871 10659 1 16 . 1 1 772 772 LYS H H 772 8.404 8.404 7.742 0.662 25871 10660 1 16 . 1 1 773 773 ALA N N 773 118.856 118.856 121.476 -2.620 25871 10661 1 16 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.103 -0.311 25871 10662 1 16 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.450 0.517 25871 10663 1 16 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.337 -0.391 25871 10664 1 16 . 1 1 773 773 ALA H H 773 7.180 7.180 7.917 -0.737 25871 10665 1 16 . 1 1 774 774 CYS N N 774 121.600 121.600 116.624 4.976 25871 10666 1 16 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.866 0.320 25871 10667 1 16 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.087 0.492 25871 10668 1 16 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.358 -0.328 25871 10669 1 16 . 1 1 774 774 CYS H H 774 7.731 7.731 7.636 0.095 25871 10670 1 16 . 1 1 775 775 LEU N N 775 120.029 120.029 119.753 0.276 25871 10671 1 16 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.627 0.212 25871 10672 1 16 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.400 0.949 25871 10673 1 16 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.228 -0.700 25871 10674 1 16 . 1 1 775 775 LEU H H 775 8.353 8.353 7.007 1.346 25871 10675 1 16 . 1 1 776 776 ILE N N 776 121.900 121.900 118.952 2.948 25871 10676 1 16 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.121 0.108 25871 10677 1 16 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.677 0.846 25871 10678 1 16 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.502 0.759 25871 10679 1 16 . 1 1 776 776 ILE H H 776 8.405 8.405 7.690 0.715 25871 10680 1 16 . 1 1 777 777 SER N N 777 119.490 119.490 114.036 5.454 25871 10681 1 16 . 1 1 777 777 SER HA H 777 4.435 4.435 4.257 0.178 25871 10682 1 16 . 1 1 777 777 SER CA C 777 61.843 61.843 60.516 1.327 25871 10683 1 16 . 1 1 777 777 SER CB C 777 62.953 62.953 62.648 0.305 25871 10684 1 16 . 1 1 777 777 SER H H 777 8.144 8.144 8.096 0.048 25871 10685 1 16 . 1 1 778 778 LEU N N 778 122.142 122.142 116.295 5.847 25871 10686 1 16 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.344 0.298 25871 10687 1 16 . 1 1 778 778 LEU CA C 778 55.077 55.077 54.845 0.232 25871 10688 1 16 . 1 1 778 778 LEU CB C 778 42.620 42.620 43.136 -0.516 25871 10689 1 16 . 1 1 778 778 LEU H H 778 7.644 7.644 7.633 0.011 25871 10690 1 16 . 1 1 779 779 GLY N N 779 106.613 106.613 104.915 1.698 25871 10691 1 16 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.537 0.613 25871 10692 1 16 . 1 1 779 779 GLY H H 779 7.982 7.982 7.584 0.398 25871 10693 1 16 . 1 1 780 780 TYR N N 780 121.620 121.620 119.213 2.407 25871 10694 1 16 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.537 -0.372 25871 10695 1 16 . 1 1 780 780 TYR CA C 780 59.373 59.373 56.991 2.382 25871 10696 1 16 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.747 -1.353 25871 10697 1 16 . 1 1 780 780 TYR H H 780 8.174 8.174 7.718 0.456 25871 10698 1 16 . 1 1 781 781 ASP N N 781 124.225 124.225 125.861 -1.636 25871 10699 1 16 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.752 -0.063 25871 10700 1 16 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.686 -0.121 25871 10701 1 16 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.456 0.659 25871 10702 1 16 . 1 1 781 781 ASP H H 781 8.650 8.650 8.927 -0.277 25871 10703 1 16 . 1 1 782 782 ILE N N 782 123.492 123.492 121.482 2.010 25871 10704 1 16 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.290 -0.041 25871 10705 1 16 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.576 -1.086 25871 10706 1 16 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.837 0.588 25871 10707 1 16 . 1 1 782 782 ILE H H 782 7.300 7.300 7.811 -0.511 25871 10708 1 16 . 1 1 783 783 GLY N N 783 113.404 113.404 111.956 1.448 25871 10709 1 16 . 1 1 783 783 GLY CA C 783 44.630 44.630 44.781 -0.151 25871 10710 1 16 . 1 1 783 783 GLY H H 783 8.345 8.345 9.021 -0.676 25871 10711 1 16 . 1 1 784 784 ASN N N 784 119.115 119.115 117.766 1.349 25871 10712 1 16 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.355 0.573 25871 10713 1 16 . 1 1 784 784 ASN CA C 784 52.055 52.055 54.321 -2.266 25871 10714 1 16 . 1 1 784 784 ASN CB C 784 37.467 37.467 38.072 -0.605 25871 10715 1 16 . 1 1 784 784 ASN H H 784 8.476 8.476 8.368 0.108 25871 10716 1 16 . 1 1 785 785 ASP N N 785 119.675 119.675 118.717 0.958 25871 10717 1 16 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.851 -0.031 25871 10718 1 16 . 1 1 785 785 ASP CA C 785 52.365 52.365 53.119 -0.754 25871 10719 1 16 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.340 -1.604 25871 10720 1 16 . 1 1 785 785 ASP H H 785 8.081 8.081 8.315 -0.234 25871 10721 1 16 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.331 -0.025 25871 10722 1 16 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.238 0.975 25871 10723 1 16 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.135 -0.155 25871 10724 1 16 . 1 1 787 787 GLN N N 787 118.154 118.154 118.625 -0.471 25871 10725 1 16 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.315 -0.137 25871 10726 1 16 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.000 1.433 25871 10727 1 16 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.561 0.107 25871 10728 1 16 . 1 1 787 787 GLN H H 787 8.413 8.413 8.677 -0.264 25871 10729 1 16 . 1 1 788 788 GLY N N 788 113.343 113.343 110.103 3.240 25871 10730 1 16 . 1 1 788 788 GLY CA C 788 47.451 47.451 47.146 0.305 25871 10731 1 16 . 1 1 788 788 GLY H H 788 8.644 8.644 8.419 0.225 25871 10732 1 16 . 1 1 789 789 GLU N N 789 121.232 121.232 121.558 -0.326 25871 10733 1 16 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.166 -0.005 25871 10734 1 16 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.262 0.171 25871 10735 1 16 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.104 0.537 25871 10736 1 16 . 1 1 789 789 GLU H H 789 8.539 8.539 8.351 0.188 25871 10737 1 16 . 1 1 790 790 ALA N N 790 122.805 122.805 120.772 2.033 25871 10738 1 16 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.149 0.124 25871 10739 1 16 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.101 -0.153 25871 10740 1 16 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.457 -0.557 25871 10741 1 16 . 1 1 790 790 ALA H H 790 8.035 8.035 7.643 0.392 25871 10742 1 16 . 1 1 791 791 GLU N N 791 122.504 122.504 117.756 4.748 25871 10743 1 16 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.185 0.564 25871 10744 1 16 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.725 0.742 25871 10745 1 16 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.677 -1.098 25871 10746 1 16 . 1 1 791 791 GLU H H 791 8.309 8.309 7.763 0.546 25871 10747 1 16 . 1 1 792 792 PHE N N 792 119.966 119.966 122.090 -2.124 25871 10748 1 16 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.191 0.007 25871 10749 1 16 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.841 0.778 25871 10750 1 16 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.128 -0.663 25871 10751 1 16 . 1 1 792 792 PHE H H 792 8.835 8.835 8.636 0.199 25871 10752 1 16 . 1 1 793 793 ALA N N 793 119.978 119.978 122.165 -2.187 25871 10753 1 16 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.611 0.294 25871 10754 1 16 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.399 -0.379 25871 10755 1 16 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.158 -0.522 25871 10756 1 16 . 1 1 793 793 ALA H H 793 8.147 8.147 8.355 -0.208 25871 10757 1 16 . 1 1 794 794 ARG N N 794 121.286 121.286 115.887 5.399 25871 10758 1 16 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.094 -0.157 25871 10759 1 16 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.088 1.548 25871 10760 1 16 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.934 0.323 25871 10761 1 16 . 1 1 794 794 ARG H H 794 7.953 7.953 7.250 0.703 25871 10762 1 16 . 1 1 795 795 ILE N N 795 121.594 121.594 121.455 0.139 25871 10763 1 16 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.523 -0.212 25871 10764 1 16 . 1 1 795 795 ILE CA C 795 66.176 66.176 65.013 1.163 25871 10765 1 16 . 1 1 795 795 ILE CB C 795 38.334 38.334 38.014 0.320 25871 10766 1 16 . 1 1 795 795 ILE H H 795 8.091 8.091 7.470 0.621 25871 10767 1 16 . 1 1 796 796 MET N N 796 118.593 118.593 117.553 1.040 25871 10768 1 16 . 1 1 796 796 MET HA H 796 4.266 4.266 4.000 0.266 25871 10769 1 16 . 1 1 796 796 MET CA C 796 56.204 56.204 59.076 -2.872 25871 10770 1 16 . 1 1 796 796 MET CB C 796 29.453 29.453 31.724 -2.271 25871 10771 1 16 . 1 1 796 796 MET H H 796 8.543 8.543 8.236 0.307 25871 10772 1 16 . 1 1 797 797 SER N N 797 114.792 114.792 114.857 -0.065 25871 10773 1 16 . 1 1 797 797 SER HA H 797 4.131 4.131 4.215 -0.084 25871 10774 1 16 . 1 1 797 797 SER CA C 797 61.233 61.233 61.792 -0.559 25871 10775 1 16 . 1 1 797 797 SER CB C 797 63.017 63.017 62.965 0.052 25871 10776 1 16 . 1 1 797 797 SER H H 797 7.740 7.740 7.550 0.190 25871 10777 1 16 . 1 1 798 798 ILE N N 798 121.041 121.041 120.313 0.728 25871 10778 1 16 . 1 1 798 798 ILE HA H 798 3.869 3.869 4.069 -0.200 25871 10779 1 16 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.789 0.150 25871 10780 1 16 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.818 0.073 25871 10781 1 16 . 1 1 798 798 ILE H H 798 7.352 7.352 7.666 -0.314 25871 10782 1 16 . 1 1 799 799 VAL N N 799 110.418 110.418 112.549 -2.131 25871 10783 1 16 . 1 1 799 799 VAL HA H 799 4.211 4.211 4.049 0.162 25871 10784 1 16 . 1 1 799 799 VAL CA C 799 63.184 63.184 62.860 0.324 25871 10785 1 16 . 1 1 799 799 VAL CB C 799 32.410 32.410 31.919 0.491 25871 10786 1 16 . 1 1 799 799 VAL H H 799 7.806 7.806 7.763 0.043 25871 10787 1 16 . 1 1 800 800 ASP N N 800 119.703 119.703 118.890 0.813 25871 10788 1 16 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.078 0.179 25871 10789 1 16 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.283 0.452 25871 10790 1 16 . 1 1 800 800 ASP CB C 800 41.334 41.334 42.131 -0.797 25871 10791 1 16 . 1 1 800 800 ASP H H 800 8.124 8.124 7.457 0.667 25871 10792 1 16 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.523 -0.163 25871 10793 1 16 . 1 1 801 801 PRO CA C 801 65.035 65.035 63.687 1.348 25871 10794 1 16 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.270 -0.373 25871 10795 1 16 . 1 1 802 802 ASN N N 802 115.156 115.156 115.162 -0.006 25871 10796 1 16 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.657 0.122 25871 10797 1 16 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.305 -0.077 25871 10798 1 16 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.218 -0.004 25871 10799 1 16 . 1 1 802 802 ASN H H 802 8.967 8.967 8.299 0.668 25871 10800 1 16 . 1 1 803 803 ARG N N 803 117.568 117.568 114.524 3.044 25871 10801 1 16 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.151 -0.302 25871 10802 1 16 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.684 0.293 25871 10803 1 16 . 1 1 803 803 ARG CB C 803 26.440 26.440 27.034 -0.594 25871 10804 1 16 . 1 1 803 803 ARG H H 803 8.013 8.013 7.656 0.357 25871 10805 1 16 . 1 1 804 804 LEU N N 804 122.899 122.899 118.560 4.339 25871 10806 1 16 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.482 -0.270 25871 10807 1 16 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.359 0.802 25871 10808 1 16 . 1 1 804 804 LEU CB C 804 42.888 42.888 40.899 1.989 25871 10809 1 16 . 1 1 804 804 LEU H H 804 10.338 10.338 8.112 2.226 25871 10810 1 16 . 1 1 805 805 GLY N N 805 110.909 110.909 107.750 3.159 25871 10811 1 16 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.798 -0.517 25871 10812 1 16 . 1 1 805 805 GLY H H 805 10.955 10.955 8.813 2.142 25871 10813 1 16 . 1 1 806 806 VAL N N 806 111.683 111.683 112.831 -1.148 25871 10814 1 16 . 1 1 806 806 VAL HA H 806 4.583 4.583 4.976 -0.393 25871 10815 1 16 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.244 0.171 25871 10816 1 16 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.193 1.110 25871 10817 1 16 . 1 1 806 806 VAL H H 806 6.806 6.806 8.087 -1.281 25871 10818 1 16 . 1 1 807 807 VAL N N 807 123.649 123.649 121.901 1.748 25871 10819 1 16 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.401 -0.215 25871 10820 1 16 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.645 1.035 25871 10821 1 16 . 1 1 807 807 VAL CB C 807 32.903 32.903 34.562 -1.659 25871 10822 1 16 . 1 1 807 807 VAL H H 807 9.156 9.156 8.899 0.257 25871 10823 1 16 . 1 1 808 808 THR N N 808 116.404 116.404 120.133 -3.729 25871 10824 1 16 . 1 1 808 808 THR HA H 808 4.782 4.782 4.705 0.077 25871 10825 1 16 . 1 1 808 808 THR CA C 808 62.526 62.526 59.523 3.002 25871 10826 1 16 . 1 1 808 808 THR CB C 808 69.707 69.707 70.755 -1.048 25871 10827 1 16 . 1 1 808 808 THR H H 808 7.948 7.948 8.411 -0.463 25871 10828 1 16 . 1 1 809 809 PHE N N 809 121.514 121.514 124.971 -3.457 25871 10829 1 16 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.490 -0.988 25871 10830 1 16 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.601 -0.823 25871 10831 1 16 . 1 1 809 809 PHE CB C 809 38.435 38.435 39.169 -0.733 25871 10832 1 16 . 1 1 809 809 PHE H H 809 8.528 8.528 8.331 0.197 25871 10833 1 16 . 1 1 810 810 GLN N N 810 116.869 116.869 118.316 -1.447 25871 10834 1 16 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.722 -0.101 25871 10835 1 16 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.925 0.623 25871 10836 1 16 . 1 1 810 810 GLN CB C 810 28.397 28.397 28.029 0.368 25871 10837 1 16 . 1 1 810 810 GLN H H 810 8.638 8.638 8.129 0.509 25871 10838 1 16 . 1 1 811 811 ALA N N 811 121.318 121.318 122.727 -1.409 25871 10839 1 16 . 1 1 811 811 ALA HA H 811 4.148 4.148 4.006 0.142 25871 10840 1 16 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.558 0.531 25871 10841 1 16 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.695 0.545 25871 10842 1 16 . 1 1 811 811 ALA H H 811 7.795 7.795 7.651 0.144 25871 10843 1 16 . 1 1 812 812 PHE N N 812 119.498 119.498 116.459 3.039 25871 10844 1 16 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.811 0.366 25871 10845 1 16 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.373 1.124 25871 10846 1 16 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.666 0.360 25871 10847 1 16 . 1 1 812 812 PHE H H 812 8.093 8.093 7.644 0.449 25871 10848 1 16 . 1 1 813 813 ILE N N 813 119.554 119.554 117.683 1.871 25871 10849 1 16 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.664 0.481 25871 10850 1 16 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.809 -0.633 25871 10851 1 16 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.718 0.072 25871 10852 1 16 . 1 1 813 813 ILE H H 813 8.316 8.316 6.461 1.855 25871 10853 1 16 . 1 1 814 814 ASP N N 814 123.772 123.772 120.091 3.681 25871 10854 1 16 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.223 0.017 25871 10855 1 16 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.097 0.806 25871 10856 1 16 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.671 -0.429 25871 10857 1 16 . 1 1 814 814 ASP H H 814 8.434 8.434 7.331 1.103 25871 10858 1 16 . 1 1 815 815 PHE N N 815 121.079 121.079 116.047 5.032 25871 10859 1 16 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.476 -0.303 25871 10860 1 16 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.659 2.466 25871 10861 1 16 . 1 1 815 815 PHE CB C 815 39.292 39.292 37.892 1.400 25871 10862 1 16 . 1 1 815 815 PHE H H 815 7.904 7.904 6.982 0.922 25871 10863 1 16 . 1 1 816 816 MET N N 816 117.231 117.231 122.142 -4.911 25871 10864 1 16 . 1 1 816 816 MET HA H 816 3.864 3.864 4.291 -0.427 25871 10865 1 16 . 1 1 816 816 MET CA C 816 55.934 55.934 58.079 -2.145 25871 10866 1 16 . 1 1 816 816 MET CB C 816 30.451 30.451 31.042 -0.591 25871 10867 1 16 . 1 1 816 816 MET H H 816 8.270 8.270 7.320 0.950 25871 10868 1 16 . 1 1 817 817 SER N N 817 114.308 114.308 114.639 -0.331 25871 10869 1 16 . 1 1 817 817 SER HA H 817 4.209 4.209 4.093 0.116 25871 10870 1 16 . 1 1 817 817 SER CA C 817 60.410 60.410 61.069 -0.659 25871 10871 1 16 . 1 1 817 817 SER CB C 817 63.328 63.328 62.707 0.621 25871 10872 1 16 . 1 1 817 817 SER H H 817 8.100 8.100 7.785 0.315 25871 10873 1 16 . 1 1 818 818 ARG N N 818 121.459 121.459 120.043 1.416 25871 10874 1 16 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.244 -0.080 25871 10875 1 16 . 1 1 818 818 ARG CA C 818 57.468 57.468 58.919 -1.451 25871 10876 1 16 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.504 -0.119 25871 10877 1 16 . 1 1 818 818 ARG H H 818 7.329 7.329 7.966 -0.637 25871 10878 1 16 . 1 1 819 819 GLU N N 819 119.944 119.944 119.429 0.515 25871 10879 1 16 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.349 -0.185 25871 10880 1 16 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.276 -0.809 25871 10881 1 16 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.906 0.620 25871 10882 1 16 . 1 1 819 819 GLU H H 819 8.059 8.059 8.543 -0.484 25871 10883 1 16 . 1 1 820 820 THR N N 820 112.658 112.658 114.688 -2.030 25871 10884 1 16 . 1 1 820 820 THR HA H 820 4.309 4.309 4.469 -0.160 25871 10885 1 16 . 1 1 820 820 THR CA C 820 62.191 62.191 59.937 2.254 25871 10886 1 16 . 1 1 820 820 THR CB C 820 69.877 69.877 68.124 1.754 25871 10887 1 16 . 1 1 820 820 THR H H 820 7.789 7.789 8.021 -0.232 25871 10888 1 16 . 1 1 821 821 ALA N N 821 126.145 126.145 123.946 2.199 25871 10889 1 16 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.244 0.088 25871 10890 1 16 . 1 1 821 821 ALA CA C 821 52.816 52.816 53.881 -1.065 25871 10891 1 16 . 1 1 821 821 ALA CB C 821 19.459 19.459 18.884 0.574 25871 10892 1 16 . 1 1 821 821 ALA H H 821 8.003 8.003 7.401 0.602 25871 10893 1 16 . 1 1 822 822 ASP N N 822 120.003 120.003 117.302 2.701 25871 10894 1 16 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.813 -0.171 25871 10895 1 16 . 1 1 822 822 ASP CA C 822 54.439 54.439 54.000 0.439 25871 10896 1 16 . 1 1 822 822 ASP CB C 822 40.866 40.866 42.096 -1.230 25871 10897 1 16 . 1 1 822 822 ASP H H 822 8.330 8.330 8.165 0.165 25871 10898 1 16 . 1 1 823 823 THR N N 823 114.181 114.181 114.958 -0.777 25871 10899 1 16 . 1 1 823 823 THR HA H 823 4.304 4.304 4.505 -0.201 25871 10900 1 16 . 1 1 823 823 THR CA C 823 62.284 62.284 61.290 0.994 25871 10901 1 16 . 1 1 823 823 THR CB C 823 69.738 69.738 70.089 -0.351 25871 10902 1 16 . 1 1 823 823 THR H H 823 8.093 8.093 8.049 0.044 25871 10903 1 16 . 1 1 824 824 ASP N N 824 123.285 123.285 124.254 -0.969 25871 10904 1 16 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.953 -0.302 25871 10905 1 16 . 1 1 824 824 ASP CA C 824 54.595 54.595 52.642 1.954 25871 10906 1 16 . 1 1 824 824 ASP CB C 824 41.145 41.145 43.351 -2.206 25871 10907 1 16 . 1 1 824 824 ASP H H 824 8.426 8.426 8.157 0.269 25871 10908 1 16 . 1 1 825 825 THR N N 825 114.970 114.970 113.655 1.315 25871 10909 1 16 . 1 1 825 825 THR HA H 825 4.313 4.313 4.112 0.201 25871 10910 1 16 . 1 1 825 825 THR CA C 825 62.329 62.329 64.733 -2.404 25871 10911 1 16 . 1 1 825 825 THR CB C 825 69.541 69.541 68.562 0.979 25871 10912 1 16 . 1 1 825 825 THR H H 825 8.157 8.157 8.443 -0.286 25871 10913 1 16 . 1 1 826 826 ALA N N 826 124.991 124.991 124.297 0.694 25871 10914 1 16 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.096 0.105 25871 10915 1 16 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.633 -0.160 25871 10916 1 16 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.399 0.297 25871 10917 1 16 . 1 1 826 826 ALA H H 826 8.374 8.374 8.051 0.323 25871 10918 1 16 . 1 1 827 827 ASP N N 827 117.795 117.795 118.419 -0.624 25871 10919 1 16 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.326 0.136 25871 10920 1 16 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.398 -1.247 25871 10921 1 16 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.831 0.098 25871 10922 1 16 . 1 1 827 827 ASP H H 827 8.255 8.255 8.013 0.242 25871 10923 1 16 . 1 1 828 828 GLN N N 828 120.646 120.646 118.415 2.231 25871 10924 1 16 . 1 1 828 828 GLN HA H 828 4.121 4.121 3.924 0.197 25871 10925 1 16 . 1 1 828 828 GLN CA C 828 57.950 57.950 59.055 -1.105 25871 10926 1 16 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.605 -0.019 25871 10927 1 16 . 1 1 828 828 GLN H H 828 8.086 8.086 7.650 0.436 25871 10928 1 16 . 1 1 829 829 VAL N N 829 120.933 120.933 119.997 0.936 25871 10929 1 16 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.742 -0.191 25871 10930 1 16 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.817 0.504 25871 10931 1 16 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.401 0.349 25871 10932 1 16 . 1 1 829 829 VAL H H 829 8.048 8.048 7.523 0.525 25871 10933 1 16 . 1 1 830 830 MET N N 830 119.386 119.386 120.741 -1.355 25871 10934 1 16 . 1 1 830 830 MET HA H 830 4.030 4.030 4.442 -0.412 25871 10935 1 16 . 1 1 830 830 MET CA C 830 58.013 58.013 59.100 -1.087 25871 10936 1 16 . 1 1 830 830 MET CB C 830 32.110 32.110 32.563 -0.453 25871 10937 1 16 . 1 1 830 830 MET H H 830 8.088 8.088 8.268 -0.180 25871 10938 1 16 . 1 1 831 831 ALA N N 831 121.027 121.027 120.920 0.107 25871 10939 1 16 . 1 1 831 831 ALA HA H 831 4.075 4.075 3.994 0.081 25871 10940 1 16 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.039 -0.420 25871 10941 1 16 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.103 0.023 25871 10942 1 16 . 1 1 831 831 ALA H H 831 7.829 7.829 8.571 -0.742 25871 10943 1 16 . 1 1 832 832 SER N N 832 114.314 114.314 114.606 -0.292 25871 10944 1 16 . 1 1 832 832 SER HA H 832 4.181 4.181 4.000 0.181 25871 10945 1 16 . 1 1 832 832 SER CA C 832 61.039 61.039 62.022 -0.982 25871 10946 1 16 . 1 1 832 832 SER CB C 832 62.671 62.671 62.703 -0.032 25871 10947 1 16 . 1 1 832 832 SER H H 832 7.711 7.711 7.497 0.214 25871 10948 1 16 . 1 1 833 833 PHE N N 833 121.898 121.898 119.828 2.070 25871 10949 1 16 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.198 0.032 25871 10950 1 16 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.145 -0.712 25871 10951 1 16 . 1 1 833 833 PHE CB C 833 38.249 38.249 38.343 -0.094 25871 10952 1 16 . 1 1 833 833 PHE H H 833 7.717 7.717 6.931 0.786 25871 10953 1 16 . 1 1 834 834 LYS N N 834 118.752 118.752 120.571 -1.819 25871 10954 1 16 . 1 1 834 834 LYS HA H 834 3.622 3.622 4.021 -0.399 25871 10955 1 16 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.051 0.374 25871 10956 1 16 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.128 0.056 25871 10957 1 16 . 1 1 834 834 LYS H H 834 7.844 7.844 7.885 -0.041 25871 10958 1 16 . 1 1 835 835 ILE N N 835 118.528 118.528 117.774 0.754 25871 10959 1 16 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.780 -0.010 25871 10960 1 16 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.531 -0.812 25871 10961 1 16 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.232 -0.326 25871 10962 1 16 . 1 1 835 835 ILE H H 835 7.311 7.311 7.348 -0.037 25871 10963 1 16 . 1 1 836 836 LEU N N 836 121.176 121.176 116.324 4.852 25871 10964 1 16 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.330 -0.340 25871 10965 1 16 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.584 0.582 25871 10966 1 16 . 1 1 836 836 LEU CB C 836 42.496 42.496 42.142 0.354 25871 10967 1 16 . 1 1 836 836 LEU H H 836 7.617 7.617 7.142 0.475 25871 10968 1 16 . 1 1 837 837 ALA N N 837 119.189 119.189 119.800 -0.611 25871 10969 1 16 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.424 -0.500 25871 10970 1 16 . 1 1 837 837 ALA CA C 837 53.417 53.417 51.083 2.334 25871 10971 1 16 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.378 1.014 25871 10972 1 16 . 1 1 837 837 ALA H H 837 8.092 8.092 8.232 -0.140 25871 10973 1 16 . 1 1 838 838 GLY N N 838 106.965 106.965 108.371 -1.406 25871 10974 1 16 . 1 1 838 838 GLY CA C 838 47.029 47.029 46.782 0.247 25871 10975 1 16 . 1 1 838 838 GLY H H 838 7.667 7.667 7.815 -0.148 25871 10976 1 16 . 1 1 839 839 ASP N N 839 122.392 122.392 118.724 3.668 25871 10977 1 16 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.597 -0.080 25871 10978 1 16 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.732 -1.151 25871 10979 1 16 . 1 1 839 839 ASP CB C 839 40.584 40.584 40.857 -0.273 25871 10980 1 16 . 1 1 839 839 ASP H H 839 8.703 8.703 8.490 0.213 25871 10981 1 16 . 1 1 840 840 LYS N N 840 117.603 117.603 117.362 0.241 25871 10982 1 16 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.748 -0.416 25871 10983 1 16 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.553 1.414 25871 10984 1 16 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.372 -1.621 25871 10985 1 16 . 1 1 840 840 LYS H H 840 7.592 7.592 7.828 -0.236 25871 10986 1 16 . 1 1 841 841 ASN N N 841 116.654 116.654 116.754 -0.100 25871 10987 1 16 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.912 -0.270 25871 10988 1 16 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.033 0.662 25871 10989 1 16 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.168 0.088 25871 10990 1 16 . 1 1 841 841 ASN H H 841 8.689 8.689 8.994 -0.305 25871 10991 1 16 . 1 1 842 842 TYR N N 842 112.231 112.231 113.690 -1.459 25871 10992 1 16 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.822 0.191 25871 10993 1 16 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.181 -2.048 25871 10994 1 16 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.441 1.187 25871 10995 1 16 . 1 1 842 842 TYR H H 842 6.638 6.638 7.298 -0.660 25871 10996 1 16 . 1 1 843 843 ILE N N 843 115.455 115.455 119.244 -3.789 25871 10997 1 16 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.364 0.436 25871 10998 1 16 . 1 1 843 843 ILE CA C 843 59.462 59.462 58.753 0.709 25871 10999 1 16 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.611 0.858 25871 11000 1 16 . 1 1 843 843 ILE H H 843 8.626 8.626 9.125 -0.499 25871 11001 1 16 . 1 1 844 844 THR N N 844 117.140 117.140 116.174 0.966 25871 11002 1 16 . 1 1 844 844 THR HA H 844 5.393 5.393 5.143 0.250 25871 11003 1 16 . 1 1 844 844 THR CA C 844 60.380 60.380 59.921 0.459 25871 11004 1 16 . 1 1 844 844 THR CB C 844 71.475 71.475 70.913 0.562 25871 11005 1 16 . 1 1 844 844 THR H H 844 9.329 9.329 7.999 1.330 25871 11006 1 16 . 1 1 845 845 MET N N 845 119.879 119.879 119.732 0.147 25871 11007 1 16 . 1 1 845 845 MET HA H 845 3.852 3.852 4.034 -0.182 25871 11008 1 16 . 1 1 845 845 MET CA C 845 60.389 60.389 60.705 -0.316 25871 11009 1 16 . 1 1 845 845 MET CB C 845 33.110 33.110 32.203 0.907 25871 11010 1 16 . 1 1 845 845 MET H H 845 8.555 8.555 8.512 0.043 25871 11011 1 16 . 1 1 846 846 ASP N N 846 116.360 116.360 117.682 -1.322 25871 11012 1 16 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.392 -0.082 25871 11013 1 16 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.000 0.489 25871 11014 1 16 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.779 -0.106 25871 11015 1 16 . 1 1 846 846 ASP H H 846 8.375 8.375 8.534 -0.159 25871 11016 1 16 . 1 1 847 847 GLU N N 847 120.575 120.575 118.674 1.901 25871 11017 1 16 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.165 -0.279 25871 11018 1 16 . 1 1 847 847 GLU CA C 847 59.754 59.754 58.327 1.427 25871 11019 1 16 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.948 -0.191 25871 11020 1 16 . 1 1 847 847 GLU H H 847 7.852 7.852 7.543 0.309 25871 11021 1 16 . 1 1 848 848 LEU N N 848 118.753 118.753 118.322 0.431 25871 11022 1 16 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.188 -0.328 25871 11023 1 16 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.198 0.485 25871 11024 1 16 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.288 1.236 25871 11025 1 16 . 1 1 848 848 LEU H H 848 7.834 7.834 8.015 -0.181 25871 11026 1 16 . 1 1 849 849 ARG N N 849 113.976 113.976 117.704 -3.728 25871 11027 1 16 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.116 -0.156 25871 11028 1 16 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.394 0.202 25871 11029 1 16 . 1 1 849 849 ARG CB C 849 30.145 30.145 29.786 0.359 25871 11030 1 16 . 1 1 849 849 ARG H H 849 8.055 8.055 8.202 -0.147 25871 11031 1 16 . 1 1 850 850 ARG N N 850 118.184 118.184 118.634 -0.450 25871 11032 1 16 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.285 -0.054 25871 11033 1 16 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.368 0.011 25871 11034 1 16 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.920 1.193 25871 11035 1 16 . 1 1 850 850 ARG H H 850 7.739 7.739 8.032 -0.293 25871 11036 1 16 . 1 1 851 851 GLU N N 851 115.550 115.550 119.231 -3.681 25871 11037 1 16 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.268 0.112 25871 11038 1 16 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.075 -1.081 25871 11039 1 16 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.630 1.055 25871 11040 1 16 . 1 1 851 851 GLU H H 851 7.591 7.591 7.653 -0.062 25871 11041 1 16 . 1 1 852 852 LEU N N 852 119.170 119.170 120.321 -1.151 25871 11042 1 16 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.869 0.057 25871 11043 1 16 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.202 0.089 25871 11044 1 16 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.891 0.747 25871 11045 1 16 . 1 1 852 852 LEU H H 852 7.891 7.891 7.625 0.266 25871 11046 1 16 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.504 -0.199 25871 11047 1 16 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.177 4.225 25871 11048 1 16 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.188 0.136 25871 11049 1 16 . 1 1 855 855 ASP N N 855 114.853 114.853 118.279 -3.426 25871 11050 1 16 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.298 0.081 25871 11051 1 16 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.437 -0.379 25871 11052 1 16 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.045 -0.806 25871 11053 1 16 . 1 1 855 855 ASP H H 855 8.796 8.796 8.605 0.191 25871 11054 1 16 . 1 1 856 856 GLN N N 856 121.513 121.513 118.488 3.025 25871 11055 1 16 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.974 0.266 25871 11056 1 16 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.521 -0.137 25871 11057 1 16 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.815 1.528 25871 11058 1 16 . 1 1 856 856 GLN H H 856 7.471 7.471 8.426 -0.955 25871 11059 1 16 . 1 1 857 857 ALA N N 857 122.821 122.821 121.909 0.912 25871 11060 1 16 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.012 -0.182 25871 11061 1 16 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.873 0.532 25871 11062 1 16 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.237 -0.253 25871 11063 1 16 . 1 1 857 857 ALA H H 857 8.889 8.889 8.219 0.670 25871 11064 1 16 . 1 1 858 858 GLU N N 858 114.091 114.091 119.679 -5.588 25871 11065 1 16 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.080 -0.024 25871 11066 1 16 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.429 -0.648 25871 11067 1 16 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.654 -0.987 25871 11068 1 16 . 1 1 858 858 GLU H H 858 8.143 8.143 7.714 0.429 25871 11069 1 16 . 1 1 859 859 TYR N N 859 120.670 120.670 118.973 1.697 25871 11070 1 16 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.290 -0.163 25871 11071 1 16 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.262 -0.114 25871 11072 1 16 . 1 1 859 859 TYR CB C 859 38.738 38.738 38.005 0.733 25871 11073 1 16 . 1 1 859 859 TYR H H 859 7.708 7.708 8.988 -1.280 25871 11074 1 16 . 1 1 860 860 CYS N N 860 115.848 115.848 119.661 -3.813 25871 11075 1 16 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.031 0.157 25871 11076 1 16 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.240 0.198 25871 11077 1 16 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.441 0.024 25871 11078 1 16 . 1 1 860 860 CYS H H 860 8.119 8.119 8.030 0.089 25871 11079 1 16 . 1 1 861 861 ILE N N 861 120.124 120.124 121.146 -1.022 25871 11080 1 16 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.510 -0.146 25871 11081 1 16 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.548 0.184 25871 11082 1 16 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.836 0.886 25871 11083 1 16 . 1 1 861 861 ILE H H 861 8.451 8.451 8.231 0.220 25871 11084 1 16 . 1 1 862 862 ALA N N 862 116.691 116.691 118.577 -1.886 25871 11085 1 16 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.081 0.169 25871 11086 1 16 . 1 1 862 862 ALA CA C 862 53.428 53.428 54.081 -0.653 25871 11087 1 16 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.736 0.339 25871 11088 1 16 . 1 1 862 862 ALA H H 862 7.304 7.304 7.992 -0.688 25871 11089 1 16 . 1 1 863 863 ARG N N 863 117.259 117.259 115.095 2.164 25871 11090 1 16 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.104 0.188 25871 11091 1 16 . 1 1 863 863 ARG CA C 863 56.439 56.439 54.982 1.457 25871 11092 1 16 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.700 -0.242 25871 11093 1 16 . 1 1 863 863 ARG H H 863 7.357 7.357 7.586 -0.229 25871 11094 1 16 . 1 1 864 864 MET N N 864 117.570 117.570 119.884 -2.314 25871 11095 1 16 . 1 1 864 864 MET HA H 864 4.598 4.598 3.975 0.623 25871 11096 1 16 . 1 1 864 864 MET CA C 864 55.180 55.180 56.536 -1.356 25871 11097 1 16 . 1 1 864 864 MET CB C 864 37.428 37.428 33.384 4.044 25871 11098 1 16 . 1 1 864 864 MET H H 864 7.147 7.147 7.713 -0.566 25871 11099 1 16 . 1 1 865 865 ALA N N 865 124.616 124.616 128.703 -4.087 25871 11100 1 16 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.893 -0.960 25871 11101 1 16 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.988 -0.708 25871 11102 1 16 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.526 0.123 25871 11103 1 16 . 1 1 865 865 ALA H H 865 8.548 8.548 8.404 0.144 25871 11104 1 16 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.545 -0.026 25871 11105 1 16 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.576 0.245 25871 11106 1 16 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.306 -0.315 25871 11107 1 16 . 1 1 867 867 TYR N N 867 122.454 122.454 124.210 -1.756 25871 11108 1 16 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.599 -0.444 25871 11109 1 16 . 1 1 867 867 TYR CA C 867 56.951 56.951 58.097 -1.146 25871 11110 1 16 . 1 1 867 867 TYR CB C 867 43.347 43.347 40.503 2.844 25871 11111 1 16 . 1 1 867 867 TYR H H 867 8.127 8.127 8.146 -0.019 25871 11112 1 16 . 1 1 869 869 GLY N N 869 105.881 105.881 109.672 -3.791 25871 11113 1 16 . 1 1 869 869 GLY CA C 869 45.090 45.090 42.548 2.542 25871 11114 1 16 . 1 1 869 869 GLY H H 869 5.440 5.440 6.811 -1.371 25871 11115 1 16 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.378 -0.017 25871 11116 1 16 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.539 0.302 25871 11117 1 16 . 1 1 870 870 PRO CB C 870 31.630 31.630 32.040 -0.410 25871 11118 1 16 . 1 1 871 871 ASP N N 871 116.217 116.217 119.446 -3.229 25871 11119 1 16 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.901 -0.265 25871 11120 1 16 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.943 -0.993 25871 11121 1 16 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.889 -1.739 25871 11122 1 16 . 1 1 871 871 ASP H H 871 9.263 9.263 8.159 1.104 25871 11123 1 16 . 1 1 872 872 SER N N 872 112.352 112.352 115.490 -3.138 25871 11124 1 16 . 1 1 872 872 SER HA H 872 3.530 3.530 4.316 -0.786 25871 11125 1 16 . 1 1 872 872 SER CA C 872 59.184 59.184 59.187 -0.003 25871 11126 1 16 . 1 1 872 872 SER CB C 872 63.286 63.286 64.206 -0.920 25871 11127 1 16 . 1 1 872 872 SER H H 872 7.487 7.487 7.574 -0.087 25871 11128 1 16 . 1 1 873 873 VAL N N 873 113.588 113.588 115.218 -1.630 25871 11129 1 16 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.595 0.158 25871 11130 1 16 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.155 -0.087 25871 11131 1 16 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.637 -0.720 25871 11132 1 16 . 1 1 873 873 VAL H H 873 6.411 6.411 7.853 -1.442 25871 11133 1 16 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.532 -0.202 25871 11134 1 16 . 1 1 874 874 PRO CA C 874 64.310 64.310 63.467 0.843 25871 11135 1 16 . 1 1 874 874 PRO CB C 874 31.623 31.623 29.925 1.698 25871 11136 1 16 . 1 1 875 875 GLY N N 875 112.109 112.109 107.542 4.567 25871 11137 1 16 . 1 1 875 875 GLY CA C 875 45.492 45.492 45.996 -0.504 25871 11138 1 16 . 1 1 875 875 GLY H H 875 8.798 8.798 8.459 0.339 25871 11139 1 16 . 1 1 876 876 ALA N N 876 120.267 120.267 123.902 -3.635 25871 11140 1 16 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.476 -1.339 25871 11141 1 16 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.552 2.711 25871 11142 1 16 . 1 1 876 876 ALA CB C 876 20.554 20.554 21.370 -0.816 25871 11143 1 16 . 1 1 876 876 ALA H H 876 7.762 7.762 7.689 0.073 25871 11144 1 16 . 1 1 877 877 LEU N N 877 125.696 125.696 122.414 3.282 25871 11145 1 16 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.112 -0.308 25871 11146 1 16 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.968 0.324 25871 11147 1 16 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.791 -1.950 25871 11148 1 16 . 1 1 877 877 LEU H H 877 9.598 9.598 9.352 0.246 25871 11149 1 16 . 1 1 878 878 ASP N N 878 119.836 119.836 122.249 -2.413 25871 11150 1 16 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.077 -0.158 25871 11151 1 16 . 1 1 878 878 ASP CA C 878 52.130 52.130 53.143 -1.013 25871 11152 1 16 . 1 1 878 878 ASP CB C 878 40.798 40.798 42.700 -1.902 25871 11153 1 16 . 1 1 878 878 ASP H H 878 9.028 9.028 8.840 0.188 25871 11154 1 16 . 1 1 879 879 TYR N N 879 126.600 126.600 122.861 3.739 25871 11155 1 16 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.475 0.143 25871 11156 1 16 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.742 -0.185 25871 11157 1 16 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.455 -0.930 25871 11158 1 16 . 1 1 879 879 TYR H H 879 7.454 7.454 8.317 -0.863 25871 11159 1 16 . 1 1 880 880 MET N N 880 119.910 119.910 117.946 1.964 25871 11160 1 16 . 1 1 880 880 MET HA H 880 4.619 4.619 3.711 0.908 25871 11161 1 16 . 1 1 880 880 MET CA C 880 56.205 56.205 57.933 -1.728 25871 11162 1 16 . 1 1 880 880 MET CB C 880 32.338 32.338 32.419 -0.081 25871 11163 1 16 . 1 1 880 880 MET H H 880 7.620 7.620 7.322 0.298 25871 11164 1 16 . 1 1 881 881 SER N N 881 114.353 114.353 113.296 1.057 25871 11165 1 16 . 1 1 881 881 SER HA H 881 4.501 4.501 4.419 0.082 25871 11166 1 16 . 1 1 881 881 SER CA C 881 58.957 58.957 59.002 -0.045 25871 11167 1 16 . 1 1 881 881 SER CB C 881 64.284 64.284 63.308 0.976 25871 11168 1 16 . 1 1 881 881 SER H H 881 7.721 7.721 8.191 -0.470 25871 11169 1 16 . 1 1 882 882 PHE N N 882 122.746 122.746 123.822 -1.076 25871 11170 1 16 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.395 0.354 25871 11171 1 16 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.126 -0.675 25871 11172 1 16 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.657 1.639 25871 11173 1 16 . 1 1 882 882 PHE H H 882 7.386 7.386 7.519 -0.133 25871 11174 1 16 . 1 1 883 883 SER N N 883 120.214 120.214 113.395 6.819 25871 11175 1 16 . 1 1 883 883 SER HA H 883 4.338 4.338 3.793 0.545 25871 11176 1 16 . 1 1 883 883 SER CA C 883 57.455 57.455 60.304 -2.849 25871 11177 1 16 . 1 1 883 883 SER CB C 883 64.684 64.684 63.096 1.587 25871 11178 1 16 . 1 1 883 883 SER H H 883 7.464 7.464 8.528 -1.064 25871 11179 1 16 . 1 1 884 884 THR N N 884 110.671 110.671 111.919 -1.248 25871 11180 1 16 . 1 1 884 884 THR HA H 884 4.008 4.008 4.256 -0.248 25871 11181 1 16 . 1 1 884 884 THR CA C 884 63.367 63.367 62.562 0.805 25871 11182 1 16 . 1 1 884 884 THR CB C 884 69.088 69.088 69.866 -0.778 25871 11183 1 16 . 1 1 884 884 THR H H 884 7.993 7.993 7.617 0.376 25871 11184 1 16 . 1 1 885 885 ALA N N 885 125.453 125.453 125.103 0.350 25871 11185 1 16 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.651 -0.381 25871 11186 1 16 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.162 -0.002 25871 11187 1 16 . 1 1 885 885 ALA CB C 885 19.310 19.310 20.994 -1.684 25871 11188 1 16 . 1 1 885 885 ALA H H 885 7.905 7.905 7.522 0.383 25871 11189 1 16 . 1 1 886 886 LEU N N 886 120.791 120.791 120.968 -0.177 25871 11190 1 16 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.338 -1.291 25871 11191 1 16 . 1 1 886 886 LEU CA C 886 55.496 55.496 52.856 2.640 25871 11192 1 16 . 1 1 886 886 LEU CB C 886 42.339 42.339 43.492 -1.153 25871 11193 1 16 . 1 1 886 886 LEU H H 886 8.087 8.087 8.048 0.039 25871 11194 1 16 . 1 1 887 887 TYR N N 887 121.620 121.620 119.142 2.478 25871 11195 1 16 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.861 -0.458 25871 11196 1 16 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.197 1.597 25871 11197 1 16 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.021 -0.400 25871 11198 1 16 . 1 1 887 887 TYR H H 887 8.272 8.272 7.777 0.495 25871 11199 1 16 . 1 1 888 888 GLY N N 888 112.443 112.443 110.024 2.419 25871 11200 1 16 . 1 1 888 888 GLY CA C 888 45.195 45.195 45.285 -0.090 25871 11201 1 16 . 1 1 888 888 GLY H H 888 8.087 8.087 7.483 0.604 25871 11202 1 16 . 1 1 889 889 GLU N N 889 120.272 120.272 119.792 0.480 25871 11203 1 16 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.270 0.025 25871 11204 1 16 . 1 1 889 889 GLU CA C 889 56.593 56.593 57.675 -1.082 25871 11205 1 16 . 1 1 889 889 GLU CB C 889 30.601 30.601 30.804 -0.203 25871 11206 1 16 . 1 1 889 889 GLU H H 889 7.991 7.991 8.221 -0.230 25871 11207 1 16 . 1 1 890 890 SER N N 890 116.330 116.330 115.917 0.413 25871 11208 1 16 . 1 1 890 890 SER HA H 890 4.452 4.452 4.544 -0.092 25871 11209 1 16 . 1 1 890 890 SER CA C 890 58.334 58.334 57.541 0.793 25871 11210 1 16 . 1 1 890 890 SER CB C 890 64.174 64.174 65.123 -0.949 25871 11211 1 16 . 1 1 890 890 SER H H 890 8.325 8.325 8.057 0.268 25871 11212 1 16 . 1 1 891 891 ASP N N 891 122.987 122.987 121.043 1.944 25871 11213 1 16 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.741 -0.089 25871 11214 1 16 . 1 1 891 891 ASP CA C 891 54.534 54.534 54.073 0.461 25871 11215 1 16 . 1 1 891 891 ASP CB C 891 40.981 40.981 40.731 0.250 25871 11216 1 16 . 1 1 891 891 ASP H H 891 8.387 8.387 8.458 -0.071 25871 11217 1 17 . 1 1 743 743 ILE N N 743 122.085 122.085 126.007 -3.922 25871 11218 1 17 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.063 0.293 25871 11219 1 17 . 1 1 743 743 ILE CA C 743 60.624 60.624 61.767 -1.143 25871 11220 1 17 . 1 1 743 743 ILE CB C 743 39.023 39.023 39.109 -0.086 25871 11221 1 17 . 1 1 743 743 ILE H H 743 8.122 8.122 8.273 -0.151 25871 11222 1 17 . 1 1 744 744 SER N N 744 123.378 123.378 122.560 0.818 25871 11223 1 17 . 1 1 744 744 SER HA H 744 4.472 4.472 4.615 -0.143 25871 11224 1 17 . 1 1 744 744 SER CA C 744 57.581 57.581 57.481 0.100 25871 11225 1 17 . 1 1 744 744 SER CB C 744 65.276 65.276 64.260 1.016 25871 11226 1 17 . 1 1 744 744 SER H H 744 8.844 8.844 8.339 0.505 25871 11227 1 17 . 1 1 745 745 GLN N N 745 121.612 121.612 121.958 -0.346 25871 11228 1 17 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.061 -0.083 25871 11229 1 17 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.197 -0.310 25871 11230 1 17 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.541 -0.015 25871 11231 1 17 . 1 1 745 745 GLN H H 745 9.035 9.035 8.927 0.108 25871 11232 1 17 . 1 1 746 746 GLU N N 746 118.618 118.618 117.628 0.990 25871 11233 1 17 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.134 -0.100 25871 11234 1 17 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.846 1.452 25871 11235 1 17 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.765 0.179 25871 11236 1 17 . 1 1 746 746 GLU H H 746 8.718 8.718 8.758 -0.040 25871 11237 1 17 . 1 1 747 747 GLN N N 747 120.436 120.436 119.653 0.783 25871 11238 1 17 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.066 -0.242 25871 11239 1 17 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.623 -0.119 25871 11240 1 17 . 1 1 747 747 GLN CB C 747 28.955 28.955 28.921 0.034 25871 11241 1 17 . 1 1 747 747 GLN H H 747 7.821 7.821 7.348 0.473 25871 11242 1 17 . 1 1 748 748 MET N N 748 119.174 119.174 117.757 1.417 25871 11243 1 17 . 1 1 748 748 MET HA H 748 4.228 4.228 4.494 -0.266 25871 11244 1 17 . 1 1 748 748 MET CA C 748 58.305 58.305 59.324 -1.019 25871 11245 1 17 . 1 1 748 748 MET CB C 748 30.922 30.922 32.178 -1.256 25871 11246 1 17 . 1 1 748 748 MET H H 748 8.477 8.477 8.469 0.008 25871 11247 1 17 . 1 1 749 749 ASN N N 749 117.610 117.610 119.410 -1.800 25871 11248 1 17 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.441 0.064 25871 11249 1 17 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.793 -0.831 25871 11250 1 17 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.389 -0.484 25871 11251 1 17 . 1 1 749 749 ASN H H 749 8.302 8.302 7.990 0.312 25871 11252 1 17 . 1 1 750 750 GLU N N 750 122.737 122.737 119.783 2.954 25871 11253 1 17 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.122 0.124 25871 11254 1 17 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.916 0.609 25871 11255 1 17 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.026 0.383 25871 11256 1 17 . 1 1 750 750 GLU H H 750 7.789 7.789 7.710 0.079 25871 11257 1 17 . 1 1 751 751 PHE N N 751 120.358 120.358 121.381 -1.023 25871 11258 1 17 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.360 0.618 25871 11259 1 17 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.473 -3.830 25871 11260 1 17 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.896 -1.418 25871 11261 1 17 . 1 1 751 751 PHE H H 751 8.772 8.772 8.444 0.328 25871 11262 1 17 . 1 1 752 752 ARG N N 752 120.173 120.173 119.270 0.903 25871 11263 1 17 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.381 -0.234 25871 11264 1 17 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.744 -2.943 25871 11265 1 17 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.115 0.247 25871 11266 1 17 . 1 1 752 752 ARG H H 752 8.990 8.990 8.680 0.310 25871 11267 1 17 . 1 1 753 753 ALA N N 753 120.965 120.965 122.489 -1.524 25871 11268 1 17 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.213 0.042 25871 11269 1 17 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.139 0.286 25871 11270 1 17 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.134 -0.122 25871 11271 1 17 . 1 1 753 753 ALA H H 753 8.136 8.136 8.370 -0.234 25871 11272 1 17 . 1 1 754 754 SER N N 754 115.350 115.350 115.759 -0.409 25871 11273 1 17 . 1 1 754 754 SER HA H 754 4.451 4.451 4.346 0.105 25871 11274 1 17 . 1 1 754 754 SER CA C 754 63.045 63.045 61.833 1.212 25871 11275 1 17 . 1 1 754 754 SER CB C 754 63.111 63.111 63.467 -0.356 25871 11276 1 17 . 1 1 754 754 SER H H 754 8.366 8.366 8.508 -0.142 25871 11277 1 17 . 1 1 755 755 PHE N N 755 121.902 121.902 122.801 -0.899 25871 11278 1 17 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.320 -0.334 25871 11279 1 17 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.634 1.719 25871 11280 1 17 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.110 1.055 25871 11281 1 17 . 1 1 755 755 PHE H H 755 8.498 8.498 8.309 0.189 25871 11282 1 17 . 1 1 756 756 ASN N N 756 114.071 114.071 117.669 -3.598 25871 11283 1 17 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.748 0.782 25871 11284 1 17 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.305 0.499 25871 11285 1 17 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.483 -0.550 25871 11286 1 17 . 1 1 756 756 ASN H H 756 8.722 8.722 8.105 0.617 25871 11287 1 17 . 1 1 757 757 HIS N N 757 119.524 119.524 119.556 -0.032 25871 11288 1 17 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.290 -0.168 25871 11289 1 17 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.333 0.137 25871 11290 1 17 . 1 1 757 757 HIS CB C 757 30.047 30.047 29.973 0.075 25871 11291 1 17 . 1 1 757 757 HIS H H 757 8.027 8.027 8.141 -0.114 25871 11292 1 17 . 1 1 758 758 PHE N N 758 113.439 113.439 115.532 -2.093 25871 11293 1 17 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.374 -0.267 25871 11294 1 17 . 1 1 758 758 PHE CA C 758 60.068 60.068 60.210 -0.142 25871 11295 1 17 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.541 0.447 25871 11296 1 17 . 1 1 758 758 PHE H H 758 7.322 7.322 8.169 -0.847 25871 11297 1 17 . 1 1 759 759 ASP N N 759 121.632 121.632 119.545 2.087 25871 11298 1 17 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.789 -0.173 25871 11299 1 17 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.540 0.068 25871 11300 1 17 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.080 -0.399 25871 11301 1 17 . 1 1 759 759 ASP H H 759 7.439 7.439 8.398 -0.959 25871 11302 1 17 . 1 1 760 760 ARG N N 760 123.429 123.429 122.213 1.216 25871 11303 1 17 . 1 1 760 760 ARG HA H 760 3.825 3.825 4.191 -0.366 25871 11304 1 17 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.728 0.903 25871 11305 1 17 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.292 -0.219 25871 11306 1 17 . 1 1 760 760 ARG H H 760 7.797 7.797 7.850 -0.053 25871 11307 1 17 . 1 1 761 761 ASP N N 761 115.027 115.027 118.363 -3.336 25871 11308 1 17 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.468 0.013 25871 11309 1 17 . 1 1 761 761 ASP CA C 761 52.478 52.478 52.949 -0.471 25871 11310 1 17 . 1 1 761 761 ASP CB C 761 39.500 39.500 40.499 -0.999 25871 11311 1 17 . 1 1 761 761 ASP H H 761 8.470 8.470 7.876 0.594 25871 11312 1 17 . 1 1 762 762 HIS N N 762 117.442 117.442 113.978 3.464 25871 11313 1 17 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.411 -0.174 25871 11314 1 17 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.187 0.306 25871 11315 1 17 . 1 1 762 762 HIS CB C 762 26.581 26.581 26.679 -0.098 25871 11316 1 17 . 1 1 762 762 HIS H H 762 7.716 7.716 7.807 -0.091 25871 11317 1 17 . 1 1 763 763 SER N N 763 117.624 117.624 115.580 2.044 25871 11318 1 17 . 1 1 763 763 SER HA H 763 4.441 4.441 4.387 0.054 25871 11319 1 17 . 1 1 763 763 SER CA C 763 59.706 59.706 59.593 0.113 25871 11320 1 17 . 1 1 763 763 SER CB C 763 65.228 65.228 64.420 0.808 25871 11321 1 17 . 1 1 763 763 SER H H 763 9.708 9.708 8.221 1.487 25871 11322 1 17 . 1 1 764 764 GLY N N 764 117.320 117.320 109.629 7.691 25871 11323 1 17 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.724 0.035 25871 11324 1 17 . 1 1 764 764 GLY H H 764 11.185 11.185 9.343 1.842 25871 11325 1 17 . 1 1 765 765 THR N N 765 110.392 110.392 111.589 -1.197 25871 11326 1 17 . 1 1 765 765 THR HA H 765 5.197 5.197 5.219 -0.022 25871 11327 1 17 . 1 1 765 765 THR CA C 765 59.125 59.125 60.637 -1.512 25871 11328 1 17 . 1 1 765 765 THR CB C 765 73.022 73.022 72.024 0.998 25871 11329 1 17 . 1 1 765 765 THR H H 765 7.972 7.972 7.588 0.384 25871 11330 1 17 . 1 1 766 766 LEU N N 766 117.658 117.658 119.593 -1.935 25871 11331 1 17 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.736 0.088 25871 11332 1 17 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.042 -0.290 25871 11333 1 17 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.629 -1.416 25871 11334 1 17 . 1 1 766 766 LEU H H 766 8.589 8.589 8.404 0.185 25871 11335 1 17 . 1 1 767 767 GLY N N 767 108.644 108.644 107.383 1.261 25871 11336 1 17 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.693 0.243 25871 11337 1 17 . 1 1 767 767 GLY H H 767 8.601 8.601 8.557 0.044 25871 11338 1 17 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.410 -0.129 25871 11339 1 17 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.389 1.484 25871 11340 1 17 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.159 0.032 25871 11341 1 17 . 1 1 769 769 GLU N N 769 115.170 115.170 119.581 -4.411 25871 11342 1 17 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.870 0.062 25871 11343 1 17 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.402 0.371 25871 11344 1 17 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.115 -0.287 25871 11345 1 17 . 1 1 769 769 GLU H H 769 8.649 8.649 8.794 -0.145 25871 11346 1 17 . 1 1 770 770 GLU N N 770 121.294 121.294 120.846 0.448 25871 11347 1 17 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.197 -0.084 25871 11348 1 17 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.340 0.278 25871 11349 1 17 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.099 1.204 25871 11350 1 17 . 1 1 770 770 GLU H H 770 7.846 7.846 8.158 -0.312 25871 11351 1 17 . 1 1 771 771 PHE N N 771 119.292 119.292 118.624 0.668 25871 11352 1 17 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.130 0.112 25871 11353 1 17 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.566 -0.463 25871 11354 1 17 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.826 -0.100 25871 11355 1 17 . 1 1 771 771 PHE H H 771 8.876 8.876 8.614 0.262 25871 11356 1 17 . 1 1 772 772 LYS N N 772 120.139 120.139 120.470 -0.331 25871 11357 1 17 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.960 -0.784 25871 11358 1 17 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.432 1.053 25871 11359 1 17 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.281 -0.597 25871 11360 1 17 . 1 1 772 772 LYS H H 772 8.404 8.404 7.605 0.799 25871 11361 1 17 . 1 1 773 773 ALA N N 773 118.856 118.856 121.770 -2.914 25871 11362 1 17 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.163 -0.371 25871 11363 1 17 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.399 0.568 25871 11364 1 17 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.358 -0.412 25871 11365 1 17 . 1 1 773 773 ALA H H 773 7.180 7.180 8.082 -0.902 25871 11366 1 17 . 1 1 774 774 CYS N N 774 121.600 121.600 116.830 4.770 25871 11367 1 17 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.793 0.393 25871 11368 1 17 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.862 -0.283 25871 11369 1 17 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.589 -0.559 25871 11370 1 17 . 1 1 774 774 CYS H H 774 7.731 7.731 7.476 0.255 25871 11371 1 17 . 1 1 775 775 LEU N N 775 120.029 120.029 119.289 0.740 25871 11372 1 17 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.667 0.172 25871 11373 1 17 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.292 1.057 25871 11374 1 17 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.168 -0.640 25871 11375 1 17 . 1 1 775 775 LEU H H 775 8.353 8.353 7.039 1.314 25871 11376 1 17 . 1 1 776 776 ILE N N 776 121.900 121.900 118.385 3.515 25871 11377 1 17 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.154 0.075 25871 11378 1 17 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.384 1.139 25871 11379 1 17 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.574 0.688 25871 11380 1 17 . 1 1 776 776 ILE H H 776 8.405 8.405 7.327 1.078 25871 11381 1 17 . 1 1 777 777 SER N N 777 119.490 119.490 116.588 2.902 25871 11382 1 17 . 1 1 777 777 SER HA H 777 4.435 4.435 4.300 0.135 25871 11383 1 17 . 1 1 777 777 SER CA C 777 61.843 61.843 61.270 0.573 25871 11384 1 17 . 1 1 777 777 SER CB C 777 62.953 62.953 62.977 -0.025 25871 11385 1 17 . 1 1 777 777 SER H H 777 8.144 8.144 7.844 0.300 25871 11386 1 17 . 1 1 778 778 LEU N N 778 122.142 122.142 119.550 2.592 25871 11387 1 17 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.558 0.084 25871 11388 1 17 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.215 -0.138 25871 11389 1 17 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.866 -0.246 25871 11390 1 17 . 1 1 778 778 LEU H H 778 7.644 7.644 7.815 -0.171 25871 11391 1 17 . 1 1 779 779 GLY N N 779 106.613 106.613 105.867 0.746 25871 11392 1 17 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.560 0.590 25871 11393 1 17 . 1 1 779 779 GLY H H 779 7.982 7.982 7.667 0.315 25871 11394 1 17 . 1 1 780 780 TYR N N 780 121.620 121.620 120.332 1.288 25871 11395 1 17 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.545 -0.380 25871 11396 1 17 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.099 2.275 25871 11397 1 17 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.526 -1.133 25871 11398 1 17 . 1 1 780 780 TYR H H 780 8.174 8.174 7.771 0.403 25871 11399 1 17 . 1 1 781 781 ASP N N 781 124.225 124.225 123.279 0.946 25871 11400 1 17 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.666 0.023 25871 11401 1 17 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.488 0.077 25871 11402 1 17 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.279 0.836 25871 11403 1 17 . 1 1 781 781 ASP H H 781 8.650 8.650 8.817 -0.167 25871 11404 1 17 . 1 1 782 782 ILE N N 782 123.492 123.492 120.895 2.597 25871 11405 1 17 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.225 0.024 25871 11406 1 17 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.974 -1.484 25871 11407 1 17 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.198 1.227 25871 11408 1 17 . 1 1 782 782 ILE H H 782 7.300 7.300 7.300 -0.000 25871 11409 1 17 . 1 1 783 783 GLY N N 783 113.404 113.404 113.541 -0.137 25871 11410 1 17 . 1 1 783 783 GLY CA C 783 44.630 44.630 44.882 -0.252 25871 11411 1 17 . 1 1 783 783 GLY H H 783 8.345 8.345 8.751 -0.406 25871 11412 1 17 . 1 1 784 784 ASN N N 784 119.115 119.115 115.969 3.146 25871 11413 1 17 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.196 0.732 25871 11414 1 17 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.914 -1.859 25871 11415 1 17 . 1 1 784 784 ASN CB C 784 37.467 37.467 37.489 -0.022 25871 11416 1 17 . 1 1 784 784 ASN H H 784 8.476 8.476 8.490 -0.014 25871 11417 1 17 . 1 1 785 785 ASP N N 785 119.675 119.675 119.065 0.610 25871 11418 1 17 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.721 0.099 25871 11419 1 17 . 1 1 785 785 ASP CA C 785 52.365 52.365 53.165 -0.800 25871 11420 1 17 . 1 1 785 785 ASP CB C 785 39.736 39.736 40.986 -1.250 25871 11421 1 17 . 1 1 785 785 ASP H H 785 8.081 8.081 7.904 0.177 25871 11422 1 17 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.314 -0.008 25871 11423 1 17 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.274 0.939 25871 11424 1 17 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.124 -0.144 25871 11425 1 17 . 1 1 787 787 GLN N N 787 118.154 118.154 118.623 -0.469 25871 11426 1 17 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.320 -0.142 25871 11427 1 17 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.447 0.987 25871 11428 1 17 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.520 0.148 25871 11429 1 17 . 1 1 787 787 GLN H H 787 8.413 8.413 8.587 -0.174 25871 11430 1 17 . 1 1 788 788 GLY N N 788 113.343 113.343 109.679 3.664 25871 11431 1 17 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.557 0.894 25871 11432 1 17 . 1 1 788 788 GLY H H 788 8.644 8.644 8.425 0.219 25871 11433 1 17 . 1 1 789 789 GLU N N 789 121.232 121.232 121.922 -0.690 25871 11434 1 17 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.112 0.049 25871 11435 1 17 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.747 -0.314 25871 11436 1 17 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.501 0.140 25871 11437 1 17 . 1 1 789 789 GLU H H 789 8.539 8.539 8.655 -0.116 25871 11438 1 17 . 1 1 790 790 ALA N N 790 122.805 122.805 121.054 1.751 25871 11439 1 17 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.160 0.113 25871 11440 1 17 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.062 -0.114 25871 11441 1 17 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.422 -0.521 25871 11442 1 17 . 1 1 790 790 ALA H H 790 8.035 8.035 7.626 0.409 25871 11443 1 17 . 1 1 791 791 GLU N N 791 122.504 122.504 117.494 5.010 25871 11444 1 17 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.184 0.565 25871 11445 1 17 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.542 0.925 25871 11446 1 17 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.773 -1.194 25871 11447 1 17 . 1 1 791 791 GLU H H 791 8.309 8.309 7.723 0.586 25871 11448 1 17 . 1 1 792 792 PHE N N 792 119.966 119.966 122.342 -2.376 25871 11449 1 17 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.246 -0.048 25871 11450 1 17 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.644 0.975 25871 11451 1 17 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.201 -0.736 25871 11452 1 17 . 1 1 792 792 PHE H H 792 8.835 8.835 8.478 0.357 25871 11453 1 17 . 1 1 793 793 ALA N N 793 119.978 119.978 122.100 -2.122 25871 11454 1 17 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.596 0.310 25871 11455 1 17 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.125 -0.105 25871 11456 1 17 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.149 -0.513 25871 11457 1 17 . 1 1 793 793 ALA H H 793 8.147 8.147 8.414 -0.267 25871 11458 1 17 . 1 1 794 794 ARG N N 794 121.286 121.286 115.555 5.731 25871 11459 1 17 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.118 -0.181 25871 11460 1 17 . 1 1 794 794 ARG CA C 794 59.636 59.636 57.940 1.696 25871 11461 1 17 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.839 0.418 25871 11462 1 17 . 1 1 794 794 ARG H H 794 7.953 7.953 7.757 0.196 25871 11463 1 17 . 1 1 795 795 ILE N N 795 121.594 121.594 121.026 0.568 25871 11464 1 17 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.498 -0.187 25871 11465 1 17 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.635 1.541 25871 11466 1 17 . 1 1 795 795 ILE CB C 795 38.334 38.334 38.041 0.293 25871 11467 1 17 . 1 1 795 795 ILE H H 795 8.091 8.091 7.197 0.894 25871 11468 1 17 . 1 1 796 796 MET N N 796 118.593 118.593 117.346 1.247 25871 11469 1 17 . 1 1 796 796 MET HA H 796 4.266 4.266 4.027 0.239 25871 11470 1 17 . 1 1 796 796 MET CA C 796 56.204 56.204 59.046 -2.842 25871 11471 1 17 . 1 1 796 796 MET CB C 796 29.453 29.453 31.708 -2.255 25871 11472 1 17 . 1 1 796 796 MET H H 796 8.543 8.543 8.131 0.412 25871 11473 1 17 . 1 1 797 797 SER N N 797 114.792 114.792 114.184 0.608 25871 11474 1 17 . 1 1 797 797 SER HA H 797 4.131 4.131 4.284 -0.153 25871 11475 1 17 . 1 1 797 797 SER CA C 797 61.233 61.233 61.249 -0.016 25871 11476 1 17 . 1 1 797 797 SER CB C 797 63.017 63.017 62.958 0.059 25871 11477 1 17 . 1 1 797 797 SER H H 797 7.740 7.740 7.690 0.050 25871 11478 1 17 . 1 1 798 798 ILE N N 798 121.041 121.041 119.542 1.499 25871 11479 1 17 . 1 1 798 798 ILE HA H 798 3.869 3.869 4.084 -0.215 25871 11480 1 17 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.456 0.483 25871 11481 1 17 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.985 -0.094 25871 11482 1 17 . 1 1 798 798 ILE H H 798 7.352 7.352 7.658 -0.306 25871 11483 1 17 . 1 1 799 799 VAL N N 799 110.418 110.418 111.902 -1.484 25871 11484 1 17 . 1 1 799 799 VAL HA H 799 4.211 4.211 4.033 0.178 25871 11485 1 17 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.191 -0.007 25871 11486 1 17 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.118 0.292 25871 11487 1 17 . 1 1 799 799 VAL H H 799 7.806 7.806 7.793 0.013 25871 11488 1 17 . 1 1 800 800 ASP N N 800 119.703 119.703 119.061 0.642 25871 11489 1 17 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.014 0.243 25871 11490 1 17 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.699 0.036 25871 11491 1 17 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.712 -0.378 25871 11492 1 17 . 1 1 800 800 ASP H H 800 8.124 8.124 7.579 0.545 25871 11493 1 17 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.512 -0.152 25871 11494 1 17 . 1 1 801 801 PRO CA C 801 65.035 65.035 63.971 1.064 25871 11495 1 17 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.224 -0.327 25871 11496 1 17 . 1 1 802 802 ASN N N 802 115.156 115.156 116.200 -1.044 25871 11497 1 17 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.644 0.135 25871 11498 1 17 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.450 -0.223 25871 11499 1 17 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.679 -0.465 25871 11500 1 17 . 1 1 802 802 ASN H H 802 8.967 8.967 7.910 1.057 25871 11501 1 17 . 1 1 803 803 ARG N N 803 117.568 117.568 115.666 1.902 25871 11502 1 17 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.105 -0.256 25871 11503 1 17 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.664 0.312 25871 11504 1 17 . 1 1 803 803 ARG CB C 803 26.440 26.440 27.026 -0.586 25871 11505 1 17 . 1 1 803 803 ARG H H 803 8.013 8.013 7.892 0.121 25871 11506 1 17 . 1 1 804 804 LEU N N 804 122.899 122.899 119.950 2.949 25871 11507 1 17 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.168 0.044 25871 11508 1 17 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.905 0.256 25871 11509 1 17 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.312 0.576 25871 11510 1 17 . 1 1 804 804 LEU H H 804 10.338 10.338 8.800 1.538 25871 11511 1 17 . 1 1 805 805 GLY N N 805 110.909 110.909 106.723 4.186 25871 11512 1 17 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.409 -0.128 25871 11513 1 17 . 1 1 805 805 GLY H H 805 10.955 10.955 9.003 1.952 25871 11514 1 17 . 1 1 806 806 VAL N N 806 111.683 111.683 112.761 -1.078 25871 11515 1 17 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.169 -0.586 25871 11516 1 17 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.205 0.210 25871 11517 1 17 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.411 0.892 25871 11518 1 17 . 1 1 806 806 VAL H H 806 6.806 6.806 7.401 -0.595 25871 11519 1 17 . 1 1 807 807 VAL N N 807 123.649 123.649 120.387 3.262 25871 11520 1 17 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.464 -0.278 25871 11521 1 17 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.289 1.391 25871 11522 1 17 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.281 -2.378 25871 11523 1 17 . 1 1 807 807 VAL H H 807 9.156 9.156 8.861 0.295 25871 11524 1 17 . 1 1 808 808 THR N N 808 116.404 116.404 118.754 -2.350 25871 11525 1 17 . 1 1 808 808 THR HA H 808 4.782 4.782 4.824 -0.042 25871 11526 1 17 . 1 1 808 808 THR CA C 808 62.526 62.526 60.114 2.412 25871 11527 1 17 . 1 1 808 808 THR CB C 808 69.707 69.707 71.214 -1.507 25871 11528 1 17 . 1 1 808 808 THR H H 808 7.948 7.948 8.192 -0.244 25871 11529 1 17 . 1 1 809 809 PHE N N 809 121.514 121.514 123.421 -1.907 25871 11530 1 17 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.429 -0.927 25871 11531 1 17 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.424 -0.646 25871 11532 1 17 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.855 -0.420 25871 11533 1 17 . 1 1 809 809 PHE H H 809 8.528 8.528 8.100 0.428 25871 11534 1 17 . 1 1 810 810 GLN N N 810 116.869 116.869 118.207 -1.338 25871 11535 1 17 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.714 -0.093 25871 11536 1 17 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.838 0.710 25871 11537 1 17 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.976 0.421 25871 11538 1 17 . 1 1 810 810 GLN H H 810 8.638 8.638 8.286 0.352 25871 11539 1 17 . 1 1 811 811 ALA N N 811 121.318 121.318 122.818 -1.500 25871 11540 1 17 . 1 1 811 811 ALA HA H 811 4.148 4.148 4.014 0.134 25871 11541 1 17 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.590 0.499 25871 11542 1 17 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.680 0.559 25871 11543 1 17 . 1 1 811 811 ALA H H 811 7.795 7.795 7.461 0.334 25871 11544 1 17 . 1 1 812 812 PHE N N 812 119.498 119.498 116.275 3.223 25871 11545 1 17 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.926 0.251 25871 11546 1 17 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.361 1.136 25871 11547 1 17 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.689 0.337 25871 11548 1 17 . 1 1 812 812 PHE H H 812 8.093 8.093 7.642 0.451 25871 11549 1 17 . 1 1 813 813 ILE N N 813 119.554 119.554 117.709 1.845 25871 11550 1 17 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.692 0.453 25871 11551 1 17 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.835 -0.659 25871 11552 1 17 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.555 0.235 25871 11553 1 17 . 1 1 813 813 ILE H H 813 8.316 8.316 6.506 1.810 25871 11554 1 17 . 1 1 814 814 ASP N N 814 123.772 123.772 120.045 3.727 25871 11555 1 17 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.175 0.065 25871 11556 1 17 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.351 0.552 25871 11557 1 17 . 1 1 814 814 ASP CB C 814 40.242 40.242 41.348 -1.106 25871 11558 1 17 . 1 1 814 814 ASP H H 814 8.434 8.434 7.519 0.915 25871 11559 1 17 . 1 1 815 815 PHE N N 815 121.079 121.079 115.871 5.208 25871 11560 1 17 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.568 -0.395 25871 11561 1 17 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.614 2.510 25871 11562 1 17 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.204 1.088 25871 11563 1 17 . 1 1 815 815 PHE H H 815 7.904 7.904 7.029 0.875 25871 11564 1 17 . 1 1 816 816 MET N N 816 117.231 117.231 121.356 -4.125 25871 11565 1 17 . 1 1 816 816 MET HA H 816 3.864 3.864 4.243 -0.379 25871 11566 1 17 . 1 1 816 816 MET CA C 816 55.934 55.934 57.781 -1.847 25871 11567 1 17 . 1 1 816 816 MET CB C 816 30.451 30.451 30.978 -0.527 25871 11568 1 17 . 1 1 816 816 MET H H 816 8.270 8.270 7.110 1.160 25871 11569 1 17 . 1 1 817 817 SER N N 817 114.308 114.308 114.528 -0.220 25871 11570 1 17 . 1 1 817 817 SER HA H 817 4.209 4.209 4.157 0.052 25871 11571 1 17 . 1 1 817 817 SER CA C 817 60.410 60.410 60.502 -0.092 25871 11572 1 17 . 1 1 817 817 SER CB C 817 63.328 63.328 62.868 0.460 25871 11573 1 17 . 1 1 817 817 SER H H 817 8.100 8.100 7.717 0.383 25871 11574 1 17 . 1 1 818 818 ARG N N 818 121.459 121.459 119.422 2.037 25871 11575 1 17 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.306 -0.142 25871 11576 1 17 . 1 1 818 818 ARG CA C 818 57.468 57.468 56.641 0.827 25871 11577 1 17 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.046 0.339 25871 11578 1 17 . 1 1 818 818 ARG H H 818 7.329 7.329 7.904 -0.575 25871 11579 1 17 . 1 1 819 819 GLU N N 819 119.944 119.944 120.182 -0.238 25871 11580 1 17 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.302 -0.138 25871 11581 1 17 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.817 -1.349 25871 11582 1 17 . 1 1 819 819 GLU CB C 819 30.526 30.526 28.881 1.645 25871 11583 1 17 . 1 1 819 819 GLU H H 819 8.059 8.059 8.243 -0.184 25871 11584 1 17 . 1 1 820 820 THR N N 820 112.658 112.658 114.584 -1.926 25871 11585 1 17 . 1 1 820 820 THR HA H 820 4.309 4.309 4.125 0.184 25871 11586 1 17 . 1 1 820 820 THR CA C 820 62.191 62.191 64.328 -2.137 25871 11587 1 17 . 1 1 820 820 THR CB C 820 69.877 69.877 68.746 1.131 25871 11588 1 17 . 1 1 820 820 THR H H 820 7.789 7.789 7.829 -0.040 25871 11589 1 17 . 1 1 821 821 ALA N N 821 126.145 126.145 120.717 5.428 25871 11590 1 17 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.063 0.269 25871 11591 1 17 . 1 1 821 821 ALA CA C 821 52.816 52.816 53.298 -0.482 25871 11592 1 17 . 1 1 821 821 ALA CB C 821 19.459 19.459 17.116 2.344 25871 11593 1 17 . 1 1 821 821 ALA H H 821 8.003 8.003 7.951 0.052 25871 11594 1 17 . 1 1 822 822 ASP N N 822 120.003 120.003 117.936 2.067 25871 11595 1 17 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.500 0.142 25871 11596 1 17 . 1 1 822 822 ASP CA C 822 54.439 54.439 53.629 0.810 25871 11597 1 17 . 1 1 822 822 ASP CB C 822 40.866 40.866 42.027 -1.161 25871 11598 1 17 . 1 1 822 822 ASP H H 822 8.330 8.330 8.116 0.214 25871 11599 1 17 . 1 1 823 823 THR N N 823 114.181 114.181 111.011 3.170 25871 11600 1 17 . 1 1 823 823 THR HA H 823 4.304 4.304 4.517 -0.213 25871 11601 1 17 . 1 1 823 823 THR CA C 823 62.284 62.284 60.817 1.467 25871 11602 1 17 . 1 1 823 823 THR CB C 823 69.738 69.738 69.689 0.049 25871 11603 1 17 . 1 1 823 823 THR H H 823 8.093 8.093 8.000 0.093 25871 11604 1 17 . 1 1 824 824 ASP N N 824 123.285 123.285 124.300 -1.015 25871 11605 1 17 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.722 -0.071 25871 11606 1 17 . 1 1 824 824 ASP CA C 824 54.595 54.595 53.179 1.416 25871 11607 1 17 . 1 1 824 824 ASP CB C 824 41.145 41.145 42.912 -1.767 25871 11608 1 17 . 1 1 824 824 ASP H H 824 8.426 8.426 8.191 0.235 25871 11609 1 17 . 1 1 825 825 THR N N 825 114.970 114.970 113.287 1.683 25871 11610 1 17 . 1 1 825 825 THR HA H 825 4.313 4.313 4.188 0.125 25871 11611 1 17 . 1 1 825 825 THR CA C 825 62.329 62.329 64.313 -1.984 25871 11612 1 17 . 1 1 825 825 THR CB C 825 69.541 69.541 69.031 0.510 25871 11613 1 17 . 1 1 825 825 THR H H 825 8.157 8.157 8.517 -0.360 25871 11614 1 17 . 1 1 826 826 ALA N N 826 124.991 124.991 123.082 1.909 25871 11615 1 17 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.239 -0.038 25871 11616 1 17 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.682 -0.209 25871 11617 1 17 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.401 0.295 25871 11618 1 17 . 1 1 826 826 ALA H H 826 8.374 8.374 8.036 0.338 25871 11619 1 17 . 1 1 827 827 ASP N N 827 117.795 117.795 119.023 -1.228 25871 11620 1 17 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.261 0.201 25871 11621 1 17 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.536 -1.385 25871 11622 1 17 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.844 0.085 25871 11623 1 17 . 1 1 827 827 ASP H H 827 8.255 8.255 8.493 -0.238 25871 11624 1 17 . 1 1 828 828 GLN N N 828 120.646 120.646 118.974 1.672 25871 11625 1 17 . 1 1 828 828 GLN HA H 828 4.121 4.121 3.981 0.140 25871 11626 1 17 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.952 -1.002 25871 11627 1 17 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.770 -0.184 25871 11628 1 17 . 1 1 828 828 GLN H H 828 8.086 8.086 7.619 0.467 25871 11629 1 17 . 1 1 829 829 VAL N N 829 120.933 120.933 120.322 0.611 25871 11630 1 17 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.592 -0.041 25871 11631 1 17 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.766 0.554 25871 11632 1 17 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.743 0.007 25871 11633 1 17 . 1 1 829 829 VAL H H 829 8.048 8.048 7.399 0.649 25871 11634 1 17 . 1 1 830 830 MET N N 830 119.386 119.386 120.784 -1.398 25871 11635 1 17 . 1 1 830 830 MET HA H 830 4.030 4.030 4.443 -0.413 25871 11636 1 17 . 1 1 830 830 MET CA C 830 58.013 58.013 59.261 -1.248 25871 11637 1 17 . 1 1 830 830 MET CB C 830 32.110 32.110 32.763 -0.653 25871 11638 1 17 . 1 1 830 830 MET H H 830 8.088 8.088 8.684 -0.596 25871 11639 1 17 . 1 1 831 831 ALA N N 831 121.027 121.027 120.937 0.090 25871 11640 1 17 . 1 1 831 831 ALA HA H 831 4.075 4.075 3.983 0.092 25871 11641 1 17 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.050 -0.431 25871 11642 1 17 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.116 0.010 25871 11643 1 17 . 1 1 831 831 ALA H H 831 7.829 7.829 8.479 -0.650 25871 11644 1 17 . 1 1 832 832 SER N N 832 114.314 114.314 115.254 -0.940 25871 11645 1 17 . 1 1 832 832 SER HA H 832 4.181 4.181 4.100 0.081 25871 11646 1 17 . 1 1 832 832 SER CA C 832 61.039 61.039 61.928 -0.889 25871 11647 1 17 . 1 1 832 832 SER CB C 832 62.671 62.671 62.860 -0.189 25871 11648 1 17 . 1 1 832 832 SER H H 832 7.711 7.711 7.376 0.335 25871 11649 1 17 . 1 1 833 833 PHE N N 833 121.898 121.898 120.498 1.400 25871 11650 1 17 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.033 0.197 25871 11651 1 17 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.382 -0.948 25871 11652 1 17 . 1 1 833 833 PHE CB C 833 38.249 38.249 38.060 0.188 25871 11653 1 17 . 1 1 833 833 PHE H H 833 7.717 7.717 7.530 0.186 25871 11654 1 17 . 1 1 834 834 LYS N N 834 118.752 118.752 119.716 -0.964 25871 11655 1 17 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.931 -0.309 25871 11656 1 17 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.276 0.149 25871 11657 1 17 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.192 -0.008 25871 11658 1 17 . 1 1 834 834 LYS H H 834 7.844 7.844 8.308 -0.464 25871 11659 1 17 . 1 1 835 835 ILE N N 835 118.528 118.528 117.679 0.849 25871 11660 1 17 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.793 -0.023 25871 11661 1 17 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.196 -0.477 25871 11662 1 17 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.350 -0.444 25871 11663 1 17 . 1 1 835 835 ILE H H 835 7.311 7.311 7.265 0.046 25871 11664 1 17 . 1 1 836 836 LEU N N 836 121.176 121.176 118.341 2.835 25871 11665 1 17 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.256 -0.266 25871 11666 1 17 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.693 0.473 25871 11667 1 17 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.652 0.844 25871 11668 1 17 . 1 1 836 836 LEU H H 836 7.617 7.617 7.233 0.384 25871 11669 1 17 . 1 1 837 837 ALA N N 837 119.189 119.189 120.612 -1.423 25871 11670 1 17 . 1 1 837 837 ALA HA H 837 3.924 3.924 3.979 -0.055 25871 11671 1 17 . 1 1 837 837 ALA CA C 837 53.417 53.417 53.885 -0.468 25871 11672 1 17 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.763 0.629 25871 11673 1 17 . 1 1 837 837 ALA H H 837 8.092 8.092 8.252 -0.160 25871 11674 1 17 . 1 1 838 838 GLY N N 838 106.965 106.965 108.551 -1.586 25871 11675 1 17 . 1 1 838 838 GLY CA C 838 47.029 47.029 47.590 -0.561 25871 11676 1 17 . 1 1 838 838 GLY H H 838 7.667 7.667 7.869 -0.202 25871 11677 1 17 . 1 1 839 839 ASP N N 839 122.392 122.392 123.333 -0.941 25871 11678 1 17 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.689 -0.172 25871 11679 1 17 . 1 1 839 839 ASP CA C 839 54.581 54.581 54.918 -0.337 25871 11680 1 17 . 1 1 839 839 ASP CB C 839 40.584 40.584 40.932 -0.348 25871 11681 1 17 . 1 1 839 839 ASP H H 839 8.703 8.703 8.590 0.113 25871 11682 1 17 . 1 1 840 840 LYS N N 840 117.603 117.603 120.077 -2.474 25871 11683 1 17 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.585 -0.253 25871 11684 1 17 . 1 1 840 840 LYS CA C 840 55.967 55.967 55.218 0.749 25871 11685 1 17 . 1 1 840 840 LYS CB C 840 33.751 33.751 34.004 -0.253 25871 11686 1 17 . 1 1 840 840 LYS H H 840 7.592 7.592 8.015 -0.423 25871 11687 1 17 . 1 1 841 841 ASN N N 841 116.654 116.654 118.850 -2.196 25871 11688 1 17 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.706 -0.064 25871 11689 1 17 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.697 -0.001 25871 11690 1 17 . 1 1 841 841 ASN CB C 841 39.256 39.256 38.924 0.332 25871 11691 1 17 . 1 1 841 841 ASN H H 841 8.689 8.689 8.982 -0.293 25871 11692 1 17 . 1 1 842 842 TYR N N 842 112.231 112.231 113.032 -0.801 25871 11693 1 17 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.822 0.191 25871 11694 1 17 . 1 1 842 842 TYR CA C 842 55.133 55.133 56.472 -1.339 25871 11695 1 17 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.588 1.040 25871 11696 1 17 . 1 1 842 842 TYR H H 842 6.638 6.638 7.102 -0.464 25871 11697 1 17 . 1 1 843 843 ILE N N 843 115.455 115.455 118.091 -2.636 25871 11698 1 17 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.242 0.558 25871 11699 1 17 . 1 1 843 843 ILE CA C 843 59.462 59.462 58.849 0.613 25871 11700 1 17 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.520 0.949 25871 11701 1 17 . 1 1 843 843 ILE H H 843 8.626 8.626 9.002 -0.376 25871 11702 1 17 . 1 1 844 844 THR N N 844 117.140 117.140 116.763 0.377 25871 11703 1 17 . 1 1 844 844 THR HA H 844 5.393 5.393 5.150 0.243 25871 11704 1 17 . 1 1 844 844 THR CA C 844 60.380 60.380 59.877 0.503 25871 11705 1 17 . 1 1 844 844 THR CB C 844 71.475 71.475 70.901 0.574 25871 11706 1 17 . 1 1 844 844 THR H H 844 9.329 9.329 7.972 1.357 25871 11707 1 17 . 1 1 845 845 MET N N 845 119.879 119.879 120.095 -0.216 25871 11708 1 17 . 1 1 845 845 MET HA H 845 3.852 3.852 3.996 -0.144 25871 11709 1 17 . 1 1 845 845 MET CA C 845 60.389 60.389 60.741 -0.352 25871 11710 1 17 . 1 1 845 845 MET CB C 845 33.110 33.110 32.210 0.900 25871 11711 1 17 . 1 1 845 845 MET H H 845 8.555 8.555 8.542 0.013 25871 11712 1 17 . 1 1 846 846 ASP N N 846 116.360 116.360 118.354 -1.994 25871 11713 1 17 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.345 -0.035 25871 11714 1 17 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.234 0.255 25871 11715 1 17 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.717 -0.045 25871 11716 1 17 . 1 1 846 846 ASP H H 846 8.375 8.375 8.364 0.011 25871 11717 1 17 . 1 1 847 847 GLU N N 847 120.575 120.575 118.920 1.655 25871 11718 1 17 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.076 -0.190 25871 11719 1 17 . 1 1 847 847 GLU CA C 847 59.754 59.754 58.970 0.784 25871 11720 1 17 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.976 -0.219 25871 11721 1 17 . 1 1 847 847 GLU H H 847 7.852 7.852 7.739 0.113 25871 11722 1 17 . 1 1 848 848 LEU N N 848 118.753 118.753 117.894 0.859 25871 11723 1 17 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.196 -0.336 25871 11724 1 17 . 1 1 848 848 LEU CA C 848 58.683 58.683 57.942 0.741 25871 11725 1 17 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.334 1.190 25871 11726 1 17 . 1 1 848 848 LEU H H 848 7.834 7.834 8.073 -0.239 25871 11727 1 17 . 1 1 849 849 ARG N N 849 113.976 113.976 117.985 -4.009 25871 11728 1 17 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.107 -0.147 25871 11729 1 17 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.536 0.060 25871 11730 1 17 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.015 0.130 25871 11731 1 17 . 1 1 849 849 ARG H H 849 8.055 8.055 7.700 0.355 25871 11732 1 17 . 1 1 850 850 ARG N N 850 118.184 118.184 118.120 0.064 25871 11733 1 17 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.206 0.025 25871 11734 1 17 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.523 -0.144 25871 11735 1 17 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.880 1.233 25871 11736 1 17 . 1 1 850 850 ARG H H 850 7.739 7.739 7.773 -0.034 25871 11737 1 17 . 1 1 851 851 GLU N N 851 115.550 115.550 119.091 -3.541 25871 11738 1 17 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.283 0.097 25871 11739 1 17 . 1 1 851 851 GLU CA C 851 56.994 56.994 57.992 -0.998 25871 11740 1 17 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.741 0.944 25871 11741 1 17 . 1 1 851 851 GLU H H 851 7.591 7.591 7.631 -0.040 25871 11742 1 17 . 1 1 852 852 LEU N N 852 119.170 119.170 119.963 -0.793 25871 11743 1 17 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.836 0.090 25871 11744 1 17 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.356 -0.065 25871 11745 1 17 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.785 0.854 25871 11746 1 17 . 1 1 852 852 LEU H H 852 7.891 7.891 7.537 0.354 25871 11747 1 17 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.598 -0.293 25871 11748 1 17 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.499 3.903 25871 11749 1 17 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.443 -0.119 25871 11750 1 17 . 1 1 855 855 ASP N N 855 114.853 114.853 118.887 -4.034 25871 11751 1 17 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.332 0.047 25871 11752 1 17 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.081 -0.023 25871 11753 1 17 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.060 -0.821 25871 11754 1 17 . 1 1 855 855 ASP H H 855 8.796 8.796 8.636 0.160 25871 11755 1 17 . 1 1 856 856 GLN N N 856 121.513 121.513 118.495 3.018 25871 11756 1 17 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.944 0.296 25871 11757 1 17 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.629 -0.245 25871 11758 1 17 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.908 1.435 25871 11759 1 17 . 1 1 856 856 GLN H H 856 7.471 7.471 8.414 -0.943 25871 11760 1 17 . 1 1 857 857 ALA N N 857 122.821 122.821 121.765 1.056 25871 11761 1 17 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.036 -0.206 25871 11762 1 17 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.672 0.732 25871 11763 1 17 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.323 -0.339 25871 11764 1 17 . 1 1 857 857 ALA H H 857 8.889 8.889 8.216 0.673 25871 11765 1 17 . 1 1 858 858 GLU N N 858 114.091 114.091 119.379 -5.288 25871 11766 1 17 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.081 -0.025 25871 11767 1 17 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.179 -0.398 25871 11768 1 17 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.299 -0.631 25871 11769 1 17 . 1 1 858 858 GLU H H 858 8.143 8.143 8.243 -0.100 25871 11770 1 17 . 1 1 859 859 TYR N N 859 120.670 120.670 118.984 1.686 25871 11771 1 17 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.283 -0.156 25871 11772 1 17 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.269 -0.121 25871 11773 1 17 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.870 0.868 25871 11774 1 17 . 1 1 859 859 TYR H H 859 7.708 7.708 8.770 -1.062 25871 11775 1 17 . 1 1 860 860 CYS N N 860 115.848 115.848 118.605 -2.757 25871 11776 1 17 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.029 0.159 25871 11777 1 17 . 1 1 860 860 CYS CA C 860 64.438 64.438 63.961 0.477 25871 11778 1 17 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.546 -0.081 25871 11779 1 17 . 1 1 860 860 CYS H H 860 8.119 8.119 7.911 0.208 25871 11780 1 17 . 1 1 861 861 ILE N N 861 120.124 120.124 120.475 -0.351 25871 11781 1 17 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.566 -0.202 25871 11782 1 17 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.690 0.042 25871 11783 1 17 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.742 0.980 25871 11784 1 17 . 1 1 861 861 ILE H H 861 8.451 8.451 8.390 0.061 25871 11785 1 17 . 1 1 862 862 ALA N N 862 116.691 116.691 119.621 -2.930 25871 11786 1 17 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.188 0.062 25871 11787 1 17 . 1 1 862 862 ALA CA C 862 53.428 53.428 53.872 -0.444 25871 11788 1 17 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.311 0.764 25871 11789 1 17 . 1 1 862 862 ALA H H 862 7.304 7.304 8.203 -0.899 25871 11790 1 17 . 1 1 863 863 ARG N N 863 117.259 117.259 115.905 1.354 25871 11791 1 17 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.195 0.097 25871 11792 1 17 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.621 0.818 25871 11793 1 17 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.671 -0.213 25871 11794 1 17 . 1 1 863 863 ARG H H 863 7.357 7.357 7.650 -0.293 25871 11795 1 17 . 1 1 864 864 MET N N 864 117.570 117.570 120.535 -2.965 25871 11796 1 17 . 1 1 864 864 MET HA H 864 4.598 4.598 4.323 0.275 25871 11797 1 17 . 1 1 864 864 MET CA C 864 55.180 55.180 56.220 -1.040 25871 11798 1 17 . 1 1 864 864 MET CB C 864 37.428 37.428 33.810 3.618 25871 11799 1 17 . 1 1 864 864 MET H H 864 7.147 7.147 7.845 -0.698 25871 11800 1 17 . 1 1 865 865 ALA N N 865 124.616 124.616 128.134 -3.518 25871 11801 1 17 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.869 -0.936 25871 11802 1 17 . 1 1 865 865 ALA CA C 865 49.280 49.280 50.022 -0.742 25871 11803 1 17 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.524 0.125 25871 11804 1 17 . 1 1 865 865 ALA H H 865 8.548 8.548 8.620 -0.072 25871 11805 1 17 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.497 0.022 25871 11806 1 17 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.527 0.294 25871 11807 1 17 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.327 -0.336 25871 11808 1 17 . 1 1 867 867 TYR N N 867 122.454 122.454 124.536 -2.082 25871 11809 1 17 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.598 -0.443 25871 11810 1 17 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.724 -0.773 25871 11811 1 17 . 1 1 867 867 TYR CB C 867 43.347 43.347 40.767 2.580 25871 11812 1 17 . 1 1 867 867 TYR H H 867 8.127 8.127 8.239 -0.112 25871 11813 1 17 . 1 1 869 869 GLY N N 869 105.881 105.881 109.450 -3.569 25871 11814 1 17 . 1 1 869 869 GLY CA C 869 45.090 45.090 42.996 2.094 25871 11815 1 17 . 1 1 869 869 GLY H H 869 5.440 5.440 6.441 -1.001 25871 11816 1 17 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.321 0.040 25871 11817 1 17 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.165 0.676 25871 11818 1 17 . 1 1 870 870 PRO CB C 870 31.630 31.630 32.021 -0.391 25871 11819 1 17 . 1 1 871 871 ASP N N 871 116.217 116.217 119.534 -3.317 25871 11820 1 17 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.877 -0.241 25871 11821 1 17 . 1 1 871 871 ASP CA C 871 52.950 52.950 52.355 0.595 25871 11822 1 17 . 1 1 871 871 ASP CB C 871 39.150 39.150 41.113 -1.963 25871 11823 1 17 . 1 1 871 871 ASP H H 871 9.263 9.263 8.051 1.212 25871 11824 1 17 . 1 1 872 872 SER N N 872 112.352 112.352 115.293 -2.941 25871 11825 1 17 . 1 1 872 872 SER HA H 872 3.530 3.530 4.415 -0.885 25871 11826 1 17 . 1 1 872 872 SER CA C 872 59.184 59.184 58.454 0.730 25871 11827 1 17 . 1 1 872 872 SER CB C 872 63.286 63.286 64.037 -0.751 25871 11828 1 17 . 1 1 872 872 SER H H 872 7.487 7.487 7.580 -0.093 25871 11829 1 17 . 1 1 873 873 VAL N N 873 113.588 113.588 115.615 -2.027 25871 11830 1 17 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.683 0.070 25871 11831 1 17 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.075 -0.007 25871 11832 1 17 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.196 -0.279 25871 11833 1 17 . 1 1 873 873 VAL H H 873 6.411 6.411 7.639 -1.228 25871 11834 1 17 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.351 -0.021 25871 11835 1 17 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.717 -0.407 25871 11836 1 17 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.760 -0.137 25871 11837 1 17 . 1 1 875 875 GLY N N 875 112.109 112.109 105.166 6.943 25871 11838 1 17 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.238 1.254 25871 11839 1 17 . 1 1 875 875 GLY H H 875 8.798 8.798 8.148 0.650 25871 11840 1 17 . 1 1 876 876 ALA N N 876 120.267 120.267 124.245 -3.978 25871 11841 1 17 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.294 -1.157 25871 11842 1 17 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.910 2.353 25871 11843 1 17 . 1 1 876 876 ALA CB C 876 20.554 20.554 20.902 -0.348 25871 11844 1 17 . 1 1 876 876 ALA H H 876 7.762 7.762 7.838 -0.076 25871 11845 1 17 . 1 1 877 877 LEU N N 877 125.696 125.696 122.887 2.809 25871 11846 1 17 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.060 -0.256 25871 11847 1 17 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.958 0.334 25871 11848 1 17 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.643 -1.802 25871 11849 1 17 . 1 1 877 877 LEU H H 877 9.598 9.598 9.420 0.178 25871 11850 1 17 . 1 1 878 878 ASP N N 878 119.836 119.836 122.798 -2.962 25871 11851 1 17 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.014 -0.095 25871 11852 1 17 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.885 -0.755 25871 11853 1 17 . 1 1 878 878 ASP CB C 878 40.798 40.798 42.016 -1.218 25871 11854 1 17 . 1 1 878 878 ASP H H 878 9.028 9.028 8.750 0.278 25871 11855 1 17 . 1 1 879 879 TYR N N 879 126.600 126.600 123.716 2.884 25871 11856 1 17 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.384 0.234 25871 11857 1 17 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.962 -0.405 25871 11858 1 17 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.406 -0.882 25871 11859 1 17 . 1 1 879 879 TYR H H 879 7.454 7.454 8.069 -0.615 25871 11860 1 17 . 1 1 880 880 MET N N 880 119.910 119.910 116.813 3.097 25871 11861 1 17 . 1 1 880 880 MET HA H 880 4.619 4.619 3.792 0.827 25871 11862 1 17 . 1 1 880 880 MET CA C 880 56.205 56.205 56.521 -0.316 25871 11863 1 17 . 1 1 880 880 MET CB C 880 32.338 32.338 31.457 0.881 25871 11864 1 17 . 1 1 880 880 MET H H 880 7.620 7.620 7.299 0.321 25871 11865 1 17 . 1 1 881 881 SER N N 881 114.353 114.353 112.587 1.766 25871 11866 1 17 . 1 1 881 881 SER HA H 881 4.501 4.501 4.433 0.068 25871 11867 1 17 . 1 1 881 881 SER CA C 881 58.957 58.957 58.236 0.721 25871 11868 1 17 . 1 1 881 881 SER CB C 881 64.284 64.284 63.440 0.844 25871 11869 1 17 . 1 1 881 881 SER H H 881 7.721 7.721 7.840 -0.119 25871 11870 1 17 . 1 1 882 882 PHE N N 882 122.746 122.746 123.550 -0.804 25871 11871 1 17 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.378 0.371 25871 11872 1 17 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.364 -0.913 25871 11873 1 17 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.870 1.426 25871 11874 1 17 . 1 1 882 882 PHE H H 882 7.386 7.386 7.457 -0.071 25871 11875 1 17 . 1 1 883 883 SER N N 883 120.214 120.214 111.458 8.756 25871 11876 1 17 . 1 1 883 883 SER HA H 883 4.338 4.338 3.676 0.662 25871 11877 1 17 . 1 1 883 883 SER CA C 883 57.455 57.455 60.031 -2.576 25871 11878 1 17 . 1 1 883 883 SER CB C 883 64.684 64.684 63.092 1.592 25871 11879 1 17 . 1 1 883 883 SER H H 883 7.464 7.464 8.557 -1.093 25871 11880 1 17 . 1 1 884 884 THR N N 884 110.671 110.671 110.948 -0.277 25871 11881 1 17 . 1 1 884 884 THR HA H 884 4.008 4.008 4.326 -0.318 25871 11882 1 17 . 1 1 884 884 THR CA C 884 63.367 63.367 62.023 1.344 25871 11883 1 17 . 1 1 884 884 THR CB C 884 69.088 69.088 69.678 -0.590 25871 11884 1 17 . 1 1 884 884 THR H H 884 7.993 7.993 7.380 0.613 25871 11885 1 17 . 1 1 885 885 ALA N N 885 125.453 125.453 125.030 0.423 25871 11886 1 17 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.561 -0.291 25871 11887 1 17 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.298 -0.138 25871 11888 1 17 . 1 1 885 885 ALA CB C 885 19.310 19.310 20.250 -0.940 25871 11889 1 17 . 1 1 885 885 ALA H H 885 7.905 7.905 7.300 0.605 25871 11890 1 17 . 1 1 886 886 LEU N N 886 120.791 120.791 123.416 -2.625 25871 11891 1 17 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.127 -1.080 25871 11892 1 17 . 1 1 886 886 LEU CA C 886 55.496 55.496 54.508 0.988 25871 11893 1 17 . 1 1 886 886 LEU CB C 886 42.339 42.339 42.845 -0.506 25871 11894 1 17 . 1 1 886 886 LEU H H 886 8.087 8.087 8.058 0.029 25871 11895 1 17 . 1 1 887 887 TYR N N 887 121.620 121.620 120.072 1.548 25871 11896 1 17 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.924 -0.521 25871 11897 1 17 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.391 1.403 25871 11898 1 17 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.636 -1.015 25871 11899 1 17 . 1 1 887 887 TYR H H 887 8.272 8.272 7.950 0.322 25871 11900 1 17 . 1 1 888 888 GLY N N 888 112.443 112.443 107.014 5.429 25871 11901 1 17 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.599 0.596 25871 11902 1 17 . 1 1 888 888 GLY H H 888 8.087 8.087 8.091 -0.004 25871 11903 1 17 . 1 1 889 889 GLU N N 889 120.272 120.272 119.072 1.200 25871 11904 1 17 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.562 -0.267 25871 11905 1 17 . 1 1 889 889 GLU CA C 889 56.593 56.593 56.264 0.329 25871 11906 1 17 . 1 1 889 889 GLU CB C 889 30.601 30.601 29.462 1.139 25871 11907 1 17 . 1 1 889 889 GLU H H 889 7.991 7.991 8.080 -0.089 25871 11908 1 17 . 1 1 890 890 SER N N 890 116.330 116.330 114.887 1.443 25871 11909 1 17 . 1 1 890 890 SER HA H 890 4.452 4.452 4.501 -0.049 25871 11910 1 17 . 1 1 890 890 SER CA C 890 58.334 58.334 60.638 -2.304 25871 11911 1 17 . 1 1 890 890 SER CB C 890 64.174 64.174 63.736 0.438 25871 11912 1 17 . 1 1 890 890 SER H H 890 8.325 8.325 8.126 0.199 25871 11913 1 17 . 1 1 891 891 ASP N N 891 122.987 122.987 119.416 3.571 25871 11914 1 17 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.886 -0.234 25871 11915 1 17 . 1 1 891 891 ASP CA C 891 54.534 54.534 54.498 0.036 25871 11916 1 17 . 1 1 891 891 ASP CB C 891 40.981 40.981 41.684 -0.703 25871 11917 1 17 . 1 1 891 891 ASP H H 891 8.387 8.387 8.136 0.251 25871 11918 1 18 . 1 1 743 743 ILE N N 743 122.085 122.085 125.389 -3.304 25871 11919 1 18 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.250 0.106 25871 11920 1 18 . 1 1 743 743 ILE CA C 743 60.624 60.624 62.110 -1.486 25871 11921 1 18 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.520 0.503 25871 11922 1 18 . 1 1 743 743 ILE H H 743 8.122 8.122 8.460 -0.338 25871 11923 1 18 . 1 1 744 744 SER N N 744 123.378 123.378 123.201 0.177 25871 11924 1 18 . 1 1 744 744 SER HA H 744 4.472 4.472 4.601 -0.129 25871 11925 1 18 . 1 1 744 744 SER CA C 744 57.581 57.581 57.533 0.048 25871 11926 1 18 . 1 1 744 744 SER CB C 744 65.276 65.276 64.505 0.771 25871 11927 1 18 . 1 1 744 744 SER H H 744 8.844 8.844 8.362 0.482 25871 11928 1 18 . 1 1 745 745 GLN N N 745 121.612 121.612 121.127 0.485 25871 11929 1 18 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.083 -0.105 25871 11930 1 18 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.319 -0.431 25871 11931 1 18 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.568 -0.042 25871 11932 1 18 . 1 1 745 745 GLN H H 745 9.035 9.035 8.932 0.103 25871 11933 1 18 . 1 1 746 746 GLU N N 746 118.618 118.618 117.669 0.949 25871 11934 1 18 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.134 -0.100 25871 11935 1 18 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.859 1.438 25871 11936 1 18 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.761 0.183 25871 11937 1 18 . 1 1 746 746 GLU H H 746 8.718 8.718 8.761 -0.043 25871 11938 1 18 . 1 1 747 747 GLN N N 747 120.436 120.436 119.759 0.677 25871 11939 1 18 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.100 -0.276 25871 11940 1 18 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.942 -0.438 25871 11941 1 18 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.059 -0.104 25871 11942 1 18 . 1 1 747 747 GLN H H 747 7.821 7.821 7.342 0.479 25871 11943 1 18 . 1 1 748 748 MET N N 748 119.174 119.174 117.629 1.545 25871 11944 1 18 . 1 1 748 748 MET HA H 748 4.228 4.228 4.510 -0.282 25871 11945 1 18 . 1 1 748 748 MET CA C 748 58.305 58.305 59.277 -0.972 25871 11946 1 18 . 1 1 748 748 MET CB C 748 30.922 30.922 32.210 -1.288 25871 11947 1 18 . 1 1 748 748 MET H H 748 8.477 8.477 8.209 0.268 25871 11948 1 18 . 1 1 749 749 ASN N N 749 117.610 117.610 119.577 -1.967 25871 11949 1 18 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.444 0.061 25871 11950 1 18 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.817 -0.855 25871 11951 1 18 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.404 -0.499 25871 11952 1 18 . 1 1 749 749 ASN H H 749 8.302 8.302 7.984 0.318 25871 11953 1 18 . 1 1 750 750 GLU N N 750 122.737 122.737 120.281 2.456 25871 11954 1 18 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.071 0.175 25871 11955 1 18 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.723 0.802 25871 11956 1 18 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.029 0.380 25871 11957 1 18 . 1 1 750 750 GLU H H 750 7.789 7.789 7.817 -0.028 25871 11958 1 18 . 1 1 751 751 PHE N N 751 120.358 120.358 121.501 -1.143 25871 11959 1 18 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.308 0.670 25871 11960 1 18 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.511 -3.868 25871 11961 1 18 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.906 -1.428 25871 11962 1 18 . 1 1 751 751 PHE H H 751 8.772 8.772 8.503 0.269 25871 11963 1 18 . 1 1 752 752 ARG N N 752 120.173 120.173 119.388 0.785 25871 11964 1 18 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.360 -0.213 25871 11965 1 18 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.872 -3.071 25871 11966 1 18 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.126 0.236 25871 11967 1 18 . 1 1 752 752 ARG H H 752 8.990 8.990 8.662 0.328 25871 11968 1 18 . 1 1 753 753 ALA N N 753 120.965 120.965 122.165 -1.200 25871 11969 1 18 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.197 0.058 25871 11970 1 18 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.201 0.224 25871 11971 1 18 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.198 -0.186 25871 11972 1 18 . 1 1 753 753 ALA H H 753 8.136 8.136 8.486 -0.350 25871 11973 1 18 . 1 1 754 754 SER N N 754 115.350 115.350 116.023 -0.673 25871 11974 1 18 . 1 1 754 754 SER HA H 754 4.451 4.451 4.288 0.163 25871 11975 1 18 . 1 1 754 754 SER CA C 754 63.045 63.045 62.847 0.198 25871 11976 1 18 . 1 1 754 754 SER CB C 754 63.111 63.111 63.235 -0.124 25871 11977 1 18 . 1 1 754 754 SER H H 754 8.366 8.366 8.553 -0.187 25871 11978 1 18 . 1 1 755 755 PHE N N 755 121.902 121.902 122.654 -0.752 25871 11979 1 18 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.347 -0.361 25871 11980 1 18 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.176 2.177 25871 11981 1 18 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.133 1.032 25871 11982 1 18 . 1 1 755 755 PHE H H 755 8.498 8.498 8.301 0.197 25871 11983 1 18 . 1 1 756 756 ASN N N 756 114.071 114.071 118.239 -4.168 25871 11984 1 18 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.682 0.848 25871 11985 1 18 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.532 0.272 25871 11986 1 18 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.498 -0.565 25871 11987 1 18 . 1 1 756 756 ASN H H 756 8.722 8.722 8.102 0.620 25871 11988 1 18 . 1 1 757 757 HIS N N 757 119.524 119.524 119.050 0.474 25871 11989 1 18 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.294 -0.172 25871 11990 1 18 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.856 -0.386 25871 11991 1 18 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.319 -0.272 25871 11992 1 18 . 1 1 757 757 HIS H H 757 8.027 8.027 8.153 -0.126 25871 11993 1 18 . 1 1 758 758 PHE N N 758 113.439 113.439 116.737 -3.298 25871 11994 1 18 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.460 -0.353 25871 11995 1 18 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.964 0.104 25871 11996 1 18 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.540 0.448 25871 11997 1 18 . 1 1 758 758 PHE H H 758 7.322 7.322 8.185 -0.863 25871 11998 1 18 . 1 1 759 759 ASP N N 759 121.632 121.632 119.756 1.876 25871 11999 1 18 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.826 -0.210 25871 12000 1 18 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.360 0.248 25871 12001 1 18 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.102 -0.421 25871 12002 1 18 . 1 1 759 759 ASP H H 759 7.439 7.439 8.370 -0.931 25871 12003 1 18 . 1 1 760 760 ARG N N 760 123.429 123.429 122.364 1.065 25871 12004 1 18 . 1 1 760 760 ARG HA H 760 3.825 3.825 4.142 -0.317 25871 12005 1 18 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.903 0.729 25871 12006 1 18 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.184 -0.111 25871 12007 1 18 . 1 1 760 760 ARG H H 760 7.797 7.797 7.823 -0.026 25871 12008 1 18 . 1 1 761 761 ASP N N 761 115.027 115.027 118.019 -2.992 25871 12009 1 18 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.434 0.047 25871 12010 1 18 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.459 -0.981 25871 12011 1 18 . 1 1 761 761 ASP CB C 761 39.500 39.500 40.715 -1.215 25871 12012 1 18 . 1 1 761 761 ASP H H 761 8.470 8.470 7.808 0.662 25871 12013 1 18 . 1 1 762 762 HIS N N 762 117.442 117.442 113.929 3.513 25871 12014 1 18 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.410 -0.173 25871 12015 1 18 . 1 1 762 762 HIS CA C 762 56.493 56.493 55.935 0.558 25871 12016 1 18 . 1 1 762 762 HIS CB C 762 26.581 26.581 27.195 -0.614 25871 12017 1 18 . 1 1 762 762 HIS H H 762 7.716 7.716 7.762 -0.046 25871 12018 1 18 . 1 1 763 763 SER N N 763 117.624 117.624 116.389 1.235 25871 12019 1 18 . 1 1 763 763 SER HA H 763 4.441 4.441 4.245 0.196 25871 12020 1 18 . 1 1 763 763 SER CA C 763 59.706 59.706 59.510 0.196 25871 12021 1 18 . 1 1 763 763 SER CB C 763 65.228 65.228 64.499 0.729 25871 12022 1 18 . 1 1 763 763 SER H H 763 9.708 9.708 8.284 1.424 25871 12023 1 18 . 1 1 764 764 GLY N N 764 117.320 117.320 110.562 6.758 25871 12024 1 18 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.574 0.185 25871 12025 1 18 . 1 1 764 764 GLY H H 764 11.185 11.185 9.446 1.739 25871 12026 1 18 . 1 1 765 765 THR N N 765 110.392 110.392 111.506 -1.114 25871 12027 1 18 . 1 1 765 765 THR HA H 765 5.197 5.197 5.204 -0.007 25871 12028 1 18 . 1 1 765 765 THR CA C 765 59.125 59.125 60.473 -1.348 25871 12029 1 18 . 1 1 765 765 THR CB C 765 73.022 73.022 72.068 0.954 25871 12030 1 18 . 1 1 765 765 THR H H 765 7.972 7.972 7.634 0.338 25871 12031 1 18 . 1 1 766 766 LEU N N 766 117.658 117.658 119.494 -1.836 25871 12032 1 18 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.742 0.082 25871 12033 1 18 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.126 -0.374 25871 12034 1 18 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.727 -1.514 25871 12035 1 18 . 1 1 766 766 LEU H H 766 8.589 8.589 8.377 0.212 25871 12036 1 18 . 1 1 767 767 GLY N N 767 108.644 108.644 107.525 1.119 25871 12037 1 18 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.815 0.121 25871 12038 1 18 . 1 1 767 767 GLY H H 767 8.601 8.601 8.582 0.019 25871 12039 1 18 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.382 -0.101 25871 12040 1 18 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.523 1.350 25871 12041 1 18 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.133 0.058 25871 12042 1 18 . 1 1 769 769 GLU N N 769 115.170 115.170 117.584 -2.414 25871 12043 1 18 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.931 0.001 25871 12044 1 18 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.827 -0.054 25871 12045 1 18 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.099 -0.271 25871 12046 1 18 . 1 1 769 769 GLU H H 769 8.649 8.649 8.793 -0.144 25871 12047 1 18 . 1 1 770 770 GLU N N 770 121.294 121.294 120.017 1.277 25871 12048 1 18 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.243 -0.130 25871 12049 1 18 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.410 0.208 25871 12050 1 18 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.315 0.988 25871 12051 1 18 . 1 1 770 770 GLU H H 770 7.846 7.846 8.606 -0.760 25871 12052 1 18 . 1 1 771 771 PHE N N 771 119.292 119.292 118.870 0.422 25871 12053 1 18 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.102 0.140 25871 12054 1 18 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.996 -0.892 25871 12055 1 18 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.791 -0.065 25871 12056 1 18 . 1 1 771 771 PHE H H 771 8.876 8.876 8.507 0.369 25871 12057 1 18 . 1 1 772 772 LYS N N 772 120.139 120.139 120.331 -0.192 25871 12058 1 18 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.902 -0.726 25871 12059 1 18 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.602 0.883 25871 12060 1 18 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.276 -0.592 25871 12061 1 18 . 1 1 772 772 LYS H H 772 8.404 8.404 7.807 0.597 25871 12062 1 18 . 1 1 773 773 ALA N N 773 118.856 118.856 121.354 -2.498 25871 12063 1 18 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.133 -0.341 25871 12064 1 18 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.469 0.498 25871 12065 1 18 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.331 -0.385 25871 12066 1 18 . 1 1 773 773 ALA H H 773 7.180 7.180 8.149 -0.969 25871 12067 1 18 . 1 1 774 774 CYS N N 774 121.600 121.600 116.594 5.006 25871 12068 1 18 . 1 1 774 774 CYS HA H 774 3.186 3.186 3.008 0.178 25871 12069 1 18 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.310 0.269 25871 12070 1 18 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.749 -0.719 25871 12071 1 18 . 1 1 774 774 CYS H H 774 7.731 7.731 7.561 0.170 25871 12072 1 18 . 1 1 775 775 LEU N N 775 120.029 120.029 119.956 0.073 25871 12073 1 18 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.569 0.270 25871 12074 1 18 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.261 1.088 25871 12075 1 18 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.501 -0.973 25871 12076 1 18 . 1 1 775 775 LEU H H 775 8.353 8.353 7.078 1.275 25871 12077 1 18 . 1 1 776 776 ILE N N 776 121.900 121.900 119.178 2.722 25871 12078 1 18 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.083 0.146 25871 12079 1 18 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.280 1.243 25871 12080 1 18 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.606 0.655 25871 12081 1 18 . 1 1 776 776 ILE H H 776 8.405 8.405 7.368 1.037 25871 12082 1 18 . 1 1 777 777 SER N N 777 119.490 119.490 114.510 4.980 25871 12083 1 18 . 1 1 777 777 SER HA H 777 4.435 4.435 4.263 0.172 25871 12084 1 18 . 1 1 777 777 SER CA C 777 61.843 61.843 61.283 0.560 25871 12085 1 18 . 1 1 777 777 SER CB C 777 62.953 62.953 62.986 -0.033 25871 12086 1 18 . 1 1 777 777 SER H H 777 8.144 8.144 7.507 0.637 25871 12087 1 18 . 1 1 778 778 LEU N N 778 122.142 122.142 119.093 3.049 25871 12088 1 18 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.446 0.196 25871 12089 1 18 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.240 -0.163 25871 12090 1 18 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.778 -0.158 25871 12091 1 18 . 1 1 778 778 LEU H H 778 7.644 7.644 7.749 -0.105 25871 12092 1 18 . 1 1 779 779 GLY N N 779 106.613 106.613 105.939 0.674 25871 12093 1 18 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.547 0.603 25871 12094 1 18 . 1 1 779 779 GLY H H 779 7.982 7.982 7.577 0.405 25871 12095 1 18 . 1 1 780 780 TYR N N 780 121.620 121.620 119.273 2.347 25871 12096 1 18 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.535 -0.369 25871 12097 1 18 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.422 1.951 25871 12098 1 18 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.602 -1.208 25871 12099 1 18 . 1 1 780 780 TYR H H 780 8.174 8.174 7.729 0.445 25871 12100 1 18 . 1 1 781 781 ASP N N 781 124.225 124.225 123.698 0.527 25871 12101 1 18 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.734 -0.045 25871 12102 1 18 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.529 0.036 25871 12103 1 18 . 1 1 781 781 ASP CB C 781 40.115 40.115 40.566 -0.450 25871 12104 1 18 . 1 1 781 781 ASP H H 781 8.650 8.650 8.836 -0.186 25871 12105 1 18 . 1 1 782 782 ILE N N 782 123.492 123.492 120.516 2.976 25871 12106 1 18 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.330 -0.081 25871 12107 1 18 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.624 -1.134 25871 12108 1 18 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.633 0.792 25871 12109 1 18 . 1 1 782 782 ILE H H 782 7.300 7.300 7.914 -0.614 25871 12110 1 18 . 1 1 783 783 GLY N N 783 113.404 113.404 112.910 0.494 25871 12111 1 18 . 1 1 783 783 GLY CA C 783 44.630 44.630 44.592 0.038 25871 12112 1 18 . 1 1 783 783 GLY H H 783 8.345 8.345 7.820 0.525 25871 12113 1 18 . 1 1 784 784 ASN N N 784 119.115 119.115 117.305 1.810 25871 12114 1 18 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.678 0.250 25871 12115 1 18 . 1 1 784 784 ASN CA C 784 52.055 52.055 52.876 -0.821 25871 12116 1 18 . 1 1 784 784 ASN CB C 784 37.467 37.467 38.452 -0.985 25871 12117 1 18 . 1 1 784 784 ASN H H 784 8.476 8.476 8.511 -0.035 25871 12118 1 18 . 1 1 785 785 ASP N N 785 119.675 119.675 120.423 -0.748 25871 12119 1 18 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.842 -0.022 25871 12120 1 18 . 1 1 785 785 ASP CA C 785 52.365 52.365 53.286 -0.921 25871 12121 1 18 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.874 -2.138 25871 12122 1 18 . 1 1 785 785 ASP H H 785 8.081 8.081 7.559 0.522 25871 12123 1 18 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.280 0.026 25871 12124 1 18 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.256 0.957 25871 12125 1 18 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.170 -0.190 25871 12126 1 18 . 1 1 787 787 GLN N N 787 118.154 118.154 118.276 -0.122 25871 12127 1 18 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.289 -0.111 25871 12128 1 18 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.555 0.878 25871 12129 1 18 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.495 0.173 25871 12130 1 18 . 1 1 787 787 GLN H H 787 8.413 8.413 8.687 -0.274 25871 12131 1 18 . 1 1 788 788 GLY N N 788 113.343 113.343 109.274 4.069 25871 12132 1 18 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.597 0.854 25871 12133 1 18 . 1 1 788 788 GLY H H 788 8.644 8.644 7.822 0.822 25871 12134 1 18 . 1 1 789 789 GLU N N 789 121.232 121.232 122.215 -0.983 25871 12135 1 18 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.097 0.064 25871 12136 1 18 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.931 -0.498 25871 12137 1 18 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.551 0.090 25871 12138 1 18 . 1 1 789 789 GLU H H 789 8.539 8.539 8.596 -0.057 25871 12139 1 18 . 1 1 790 790 ALA N N 790 122.805 122.805 120.399 2.406 25871 12140 1 18 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.150 0.123 25871 12141 1 18 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.067 -0.119 25871 12142 1 18 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.437 -0.536 25871 12143 1 18 . 1 1 790 790 ALA H H 790 8.035 8.035 7.687 0.348 25871 12144 1 18 . 1 1 791 791 GLU N N 791 122.504 122.504 117.054 5.450 25871 12145 1 18 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.237 0.512 25871 12146 1 18 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.387 1.080 25871 12147 1 18 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.939 -1.361 25871 12148 1 18 . 1 1 791 791 GLU H H 791 8.309 8.309 7.677 0.632 25871 12149 1 18 . 1 1 792 792 PHE N N 792 119.966 119.966 122.576 -2.610 25871 12150 1 18 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.160 0.038 25871 12151 1 18 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.926 0.693 25871 12152 1 18 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.015 -0.550 25871 12153 1 18 . 1 1 792 792 PHE H H 792 8.835 8.835 8.638 0.197 25871 12154 1 18 . 1 1 793 793 ALA N N 793 119.978 119.978 121.346 -1.368 25871 12155 1 18 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.679 0.227 25871 12156 1 18 . 1 1 793 793 ALA CA C 793 55.020 55.020 54.676 0.344 25871 12157 1 18 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.128 -0.492 25871 12158 1 18 . 1 1 793 793 ALA H H 793 8.147 8.147 8.482 -0.335 25871 12159 1 18 . 1 1 794 794 ARG N N 794 121.286 121.286 117.828 3.458 25871 12160 1 18 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.101 -0.164 25871 12161 1 18 . 1 1 794 794 ARG CA C 794 59.636 59.636 57.554 2.082 25871 12162 1 18 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.823 0.434 25871 12163 1 18 . 1 1 794 794 ARG H H 794 7.953 7.953 7.408 0.545 25871 12164 1 18 . 1 1 795 795 ILE N N 795 121.594 121.594 121.100 0.494 25871 12165 1 18 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.424 -0.113 25871 12166 1 18 . 1 1 795 795 ILE CA C 795 66.176 66.176 65.109 1.067 25871 12167 1 18 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.649 0.685 25871 12168 1 18 . 1 1 795 795 ILE H H 795 8.091 8.091 7.695 0.396 25871 12169 1 18 . 1 1 796 796 MET N N 796 118.593 118.593 117.414 1.179 25871 12170 1 18 . 1 1 796 796 MET HA H 796 4.266 4.266 4.040 0.226 25871 12171 1 18 . 1 1 796 796 MET CA C 796 56.204 56.204 59.197 -2.993 25871 12172 1 18 . 1 1 796 796 MET CB C 796 29.453 29.453 31.741 -2.288 25871 12173 1 18 . 1 1 796 796 MET H H 796 8.543 8.543 8.200 0.343 25871 12174 1 18 . 1 1 797 797 SER N N 797 114.792 114.792 113.513 1.279 25871 12175 1 18 . 1 1 797 797 SER HA H 797 4.131 4.131 4.260 -0.129 25871 12176 1 18 . 1 1 797 797 SER CA C 797 61.233 61.233 61.155 0.078 25871 12177 1 18 . 1 1 797 797 SER CB C 797 63.017 63.017 62.939 0.078 25871 12178 1 18 . 1 1 797 797 SER H H 797 7.740 7.740 7.366 0.374 25871 12179 1 18 . 1 1 798 798 ILE N N 798 121.041 121.041 119.047 1.994 25871 12180 1 18 . 1 1 798 798 ILE HA H 798 3.869 3.869 4.058 -0.189 25871 12181 1 18 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.310 0.629 25871 12182 1 18 . 1 1 798 798 ILE CB C 798 38.891 38.891 39.187 -0.296 25871 12183 1 18 . 1 1 798 798 ILE H H 798 7.352 7.352 7.520 -0.168 25871 12184 1 18 . 1 1 799 799 VAL N N 799 110.418 110.418 111.922 -1.504 25871 12185 1 18 . 1 1 799 799 VAL HA H 799 4.211 4.211 4.000 0.211 25871 12186 1 18 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.804 -0.620 25871 12187 1 18 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.527 -0.117 25871 12188 1 18 . 1 1 799 799 VAL H H 799 7.806 7.806 7.983 -0.177 25871 12189 1 18 . 1 1 800 800 ASP N N 800 119.703 119.703 118.996 0.707 25871 12190 1 18 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.022 0.235 25871 12191 1 18 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.348 0.387 25871 12192 1 18 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.663 -0.329 25871 12193 1 18 . 1 1 800 800 ASP H H 800 8.124 8.124 7.558 0.566 25871 12194 1 18 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.511 -0.151 25871 12195 1 18 . 1 1 801 801 PRO CA C 801 65.035 65.035 63.989 1.046 25871 12196 1 18 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.329 -0.432 25871 12197 1 18 . 1 1 802 802 ASN N N 802 115.156 115.156 117.947 -2.791 25871 12198 1 18 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.636 0.143 25871 12199 1 18 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.567 -0.339 25871 12200 1 18 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.435 -0.221 25871 12201 1 18 . 1 1 802 802 ASN H H 802 8.967 8.967 7.879 1.088 25871 12202 1 18 . 1 1 803 803 ARG N N 803 117.568 117.568 115.877 1.691 25871 12203 1 18 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.128 -0.280 25871 12204 1 18 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.459 0.517 25871 12205 1 18 . 1 1 803 803 ARG CB C 803 26.440 26.440 26.936 -0.496 25871 12206 1 18 . 1 1 803 803 ARG H H 803 8.013 8.013 7.813 0.200 25871 12207 1 18 . 1 1 804 804 LEU N N 804 122.899 122.899 120.022 2.877 25871 12208 1 18 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.160 0.052 25871 12209 1 18 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.922 0.239 25871 12210 1 18 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.333 0.555 25871 12211 1 18 . 1 1 804 804 LEU H H 804 10.338 10.338 8.920 1.418 25871 12212 1 18 . 1 1 805 805 GLY N N 805 110.909 110.909 106.635 4.274 25871 12213 1 18 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.478 -0.197 25871 12214 1 18 . 1 1 805 805 GLY H H 805 10.955 10.955 8.996 1.959 25871 12215 1 18 . 1 1 806 806 VAL N N 806 111.683 111.683 111.880 -0.197 25871 12216 1 18 . 1 1 806 806 VAL HA H 806 4.583 4.583 4.916 -0.333 25871 12217 1 18 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.464 -0.049 25871 12218 1 18 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.152 1.151 25871 12219 1 18 . 1 1 806 806 VAL H H 806 6.806 6.806 7.396 -0.590 25871 12220 1 18 . 1 1 807 807 VAL N N 807 123.649 123.649 119.300 4.349 25871 12221 1 18 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.490 -0.304 25871 12222 1 18 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.356 1.324 25871 12223 1 18 . 1 1 807 807 VAL CB C 807 32.903 32.903 34.751 -1.848 25871 12224 1 18 . 1 1 807 807 VAL H H 807 9.156 9.156 8.725 0.431 25871 12225 1 18 . 1 1 808 808 THR N N 808 116.404 116.404 118.845 -2.441 25871 12226 1 18 . 1 1 808 808 THR HA H 808 4.782 4.782 4.859 -0.077 25871 12227 1 18 . 1 1 808 808 THR CA C 808 62.526 62.526 59.114 3.413 25871 12228 1 18 . 1 1 808 808 THR CB C 808 69.707 69.707 70.974 -1.267 25871 12229 1 18 . 1 1 808 808 THR H H 808 7.948 7.948 8.226 -0.278 25871 12230 1 18 . 1 1 809 809 PHE N N 809 121.514 121.514 123.906 -2.392 25871 12231 1 18 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.447 -0.945 25871 12232 1 18 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.369 -0.591 25871 12233 1 18 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.945 -0.510 25871 12234 1 18 . 1 1 809 809 PHE H H 809 8.528 8.528 8.232 0.296 25871 12235 1 18 . 1 1 810 810 GLN N N 810 116.869 116.869 118.317 -1.448 25871 12236 1 18 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.706 -0.085 25871 12237 1 18 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.975 0.573 25871 12238 1 18 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.967 0.430 25871 12239 1 18 . 1 1 810 810 GLN H H 810 8.638 8.638 8.239 0.399 25871 12240 1 18 . 1 1 811 811 ALA N N 811 121.318 121.318 122.739 -1.421 25871 12241 1 18 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.999 0.149 25871 12242 1 18 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.572 0.517 25871 12243 1 18 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.660 0.580 25871 12244 1 18 . 1 1 811 811 ALA H H 811 7.795 7.795 7.574 0.221 25871 12245 1 18 . 1 1 812 812 PHE N N 812 119.498 119.498 116.631 2.867 25871 12246 1 18 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.932 0.245 25871 12247 1 18 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.479 1.018 25871 12248 1 18 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.675 0.351 25871 12249 1 18 . 1 1 812 812 PHE H H 812 8.093 8.093 7.680 0.413 25871 12250 1 18 . 1 1 813 813 ILE N N 813 119.554 119.554 118.438 1.116 25871 12251 1 18 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.570 0.575 25871 12252 1 18 . 1 1 813 813 ILE CA C 813 62.176 62.176 63.074 -0.898 25871 12253 1 18 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.666 0.124 25871 12254 1 18 . 1 1 813 813 ILE H H 813 8.316 8.316 6.479 1.837 25871 12255 1 18 . 1 1 814 814 ASP N N 814 123.772 123.772 120.435 3.337 25871 12256 1 18 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.194 0.046 25871 12257 1 18 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.577 0.326 25871 12258 1 18 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.554 -0.312 25871 12259 1 18 . 1 1 814 814 ASP H H 814 8.434 8.434 7.281 1.153 25871 12260 1 18 . 1 1 815 815 PHE N N 815 121.079 121.079 115.472 5.607 25871 12261 1 18 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.381 -0.208 25871 12262 1 18 . 1 1 815 815 PHE CA C 815 61.125 61.125 59.015 2.110 25871 12263 1 18 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.057 1.235 25871 12264 1 18 . 1 1 815 815 PHE H H 815 7.904 7.904 6.950 0.954 25871 12265 1 18 . 1 1 816 816 MET N N 816 117.231 117.231 120.822 -3.591 25871 12266 1 18 . 1 1 816 816 MET HA H 816 3.864 3.864 4.260 -0.396 25871 12267 1 18 . 1 1 816 816 MET CA C 816 55.934 55.934 57.933 -1.999 25871 12268 1 18 . 1 1 816 816 MET CB C 816 30.451 30.451 31.232 -0.781 25871 12269 1 18 . 1 1 816 816 MET H H 816 8.270 8.270 7.365 0.905 25871 12270 1 18 . 1 1 817 817 SER N N 817 114.308 114.308 115.916 -1.608 25871 12271 1 18 . 1 1 817 817 SER HA H 817 4.209 4.209 4.273 -0.064 25871 12272 1 18 . 1 1 817 817 SER CA C 817 60.410 60.410 60.654 -0.244 25871 12273 1 18 . 1 1 817 817 SER CB C 817 63.328 63.328 62.806 0.521 25871 12274 1 18 . 1 1 817 817 SER H H 817 8.100 8.100 7.975 0.125 25871 12275 1 18 . 1 1 818 818 ARG N N 818 121.459 121.459 118.927 2.532 25871 12276 1 18 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.333 -0.169 25871 12277 1 18 . 1 1 818 818 ARG CA C 818 57.468 57.468 57.642 -0.174 25871 12278 1 18 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.494 -0.109 25871 12279 1 18 . 1 1 818 818 ARG H H 818 7.329 7.329 7.252 0.077 25871 12280 1 18 . 1 1 819 819 GLU N N 819 119.944 119.944 118.363 1.581 25871 12281 1 18 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.360 -0.196 25871 12282 1 18 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.148 -0.680 25871 12283 1 18 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.336 1.190 25871 12284 1 18 . 1 1 819 819 GLU H H 819 8.059 8.059 8.394 -0.335 25871 12285 1 18 . 1 1 820 820 THR N N 820 112.658 112.658 108.054 4.604 25871 12286 1 18 . 1 1 820 820 THR HA H 820 4.309 4.309 4.625 -0.316 25871 12287 1 18 . 1 1 820 820 THR CA C 820 62.191 62.191 61.213 0.978 25871 12288 1 18 . 1 1 820 820 THR CB C 820 69.877 69.877 69.448 0.429 25871 12289 1 18 . 1 1 820 820 THR H H 820 7.789 7.789 7.490 0.299 25871 12290 1 18 . 1 1 821 821 ALA N N 821 126.145 126.145 124.439 1.706 25871 12291 1 18 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.362 -0.030 25871 12292 1 18 . 1 1 821 821 ALA CA C 821 52.816 52.816 51.972 0.844 25871 12293 1 18 . 1 1 821 821 ALA CB C 821 19.459 19.459 19.120 0.339 25871 12294 1 18 . 1 1 821 821 ALA H H 821 8.003 8.003 7.197 0.806 25871 12295 1 18 . 1 1 822 822 ASP N N 822 120.003 120.003 117.534 2.469 25871 12296 1 18 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.495 0.147 25871 12297 1 18 . 1 1 822 822 ASP CA C 822 54.439 54.439 54.253 0.186 25871 12298 1 18 . 1 1 822 822 ASP CB C 822 40.866 40.866 41.710 -0.844 25871 12299 1 18 . 1 1 822 822 ASP H H 822 8.330 8.330 7.671 0.659 25871 12300 1 18 . 1 1 823 823 THR N N 823 114.181 114.181 108.634 5.547 25871 12301 1 18 . 1 1 823 823 THR HA H 823 4.304 4.304 3.966 0.338 25871 12302 1 18 . 1 1 823 823 THR CA C 823 62.284 62.284 62.956 -0.672 25871 12303 1 18 . 1 1 823 823 THR CB C 823 69.738 69.738 67.776 1.962 25871 12304 1 18 . 1 1 823 823 THR H H 823 8.093 8.093 8.430 -0.337 25871 12305 1 18 . 1 1 824 824 ASP N N 824 123.285 123.285 121.719 1.566 25871 12306 1 18 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.855 -0.204 25871 12307 1 18 . 1 1 824 824 ASP CA C 824 54.595 54.595 53.400 1.195 25871 12308 1 18 . 1 1 824 824 ASP CB C 824 41.145 41.145 42.456 -1.311 25871 12309 1 18 . 1 1 824 824 ASP H H 824 8.426 8.426 8.385 0.041 25871 12310 1 18 . 1 1 825 825 THR N N 825 114.970 114.970 114.304 0.666 25871 12311 1 18 . 1 1 825 825 THR HA H 825 4.313 4.313 4.531 -0.218 25871 12312 1 18 . 1 1 825 825 THR CA C 825 62.329 62.329 61.279 1.050 25871 12313 1 18 . 1 1 825 825 THR CB C 825 69.541 69.541 70.294 -0.753 25871 12314 1 18 . 1 1 825 825 THR H H 825 8.157 8.157 8.243 -0.086 25871 12315 1 18 . 1 1 826 826 ALA N N 826 124.991 124.991 126.021 -1.030 25871 12316 1 18 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.046 0.155 25871 12317 1 18 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.925 -0.452 25871 12318 1 18 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.870 -0.174 25871 12319 1 18 . 1 1 826 826 ALA H H 826 8.374 8.374 8.125 0.249 25871 12320 1 18 . 1 1 827 827 ASP N N 827 117.795 117.795 119.185 -1.390 25871 12321 1 18 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.249 0.213 25871 12322 1 18 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.007 -0.856 25871 12323 1 18 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.861 0.068 25871 12324 1 18 . 1 1 827 827 ASP H H 827 8.255 8.255 7.991 0.264 25871 12325 1 18 . 1 1 828 828 GLN N N 828 120.646 120.646 118.657 1.989 25871 12326 1 18 . 1 1 828 828 GLN HA H 828 4.121 4.121 3.969 0.152 25871 12327 1 18 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.825 -0.875 25871 12328 1 18 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.402 0.184 25871 12329 1 18 . 1 1 828 828 GLN H H 828 8.086 8.086 8.506 -0.420 25871 12330 1 18 . 1 1 829 829 VAL N N 829 120.933 120.933 119.475 1.458 25871 12331 1 18 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.558 -0.007 25871 12332 1 18 . 1 1 829 829 VAL CA C 829 65.321 65.321 65.775 -0.454 25871 12333 1 18 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.268 0.482 25871 12334 1 18 . 1 1 829 829 VAL H H 829 8.048 8.048 7.627 0.421 25871 12335 1 18 . 1 1 830 830 MET N N 830 119.386 119.386 119.338 0.048 25871 12336 1 18 . 1 1 830 830 MET HA H 830 4.030 4.030 4.487 -0.457 25871 12337 1 18 . 1 1 830 830 MET CA C 830 58.013 58.013 58.172 -0.159 25871 12338 1 18 . 1 1 830 830 MET CB C 830 32.110 32.110 32.325 -0.215 25871 12339 1 18 . 1 1 830 830 MET H H 830 8.088 8.088 7.616 0.472 25871 12340 1 18 . 1 1 831 831 ALA N N 831 121.027 121.027 121.222 -0.195 25871 12341 1 18 . 1 1 831 831 ALA HA H 831 4.075 4.075 3.976 0.099 25871 12342 1 18 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.029 -0.410 25871 12343 1 18 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.209 -0.083 25871 12344 1 18 . 1 1 831 831 ALA H H 831 7.829 7.829 8.247 -0.418 25871 12345 1 18 . 1 1 832 832 SER N N 832 114.314 114.314 115.176 -0.862 25871 12346 1 18 . 1 1 832 832 SER HA H 832 4.181 4.181 4.111 0.070 25871 12347 1 18 . 1 1 832 832 SER CA C 832 61.039 61.039 61.979 -0.940 25871 12348 1 18 . 1 1 832 832 SER CB C 832 62.671 62.671 62.845 -0.174 25871 12349 1 18 . 1 1 832 832 SER H H 832 7.711 7.711 7.786 -0.075 25871 12350 1 18 . 1 1 833 833 PHE N N 833 121.898 121.898 120.204 1.694 25871 12351 1 18 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.077 0.153 25871 12352 1 18 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.378 -0.944 25871 12353 1 18 . 1 1 833 833 PHE CB C 833 38.249 38.249 38.160 0.089 25871 12354 1 18 . 1 1 833 833 PHE H H 833 7.717 7.717 7.463 0.254 25871 12355 1 18 . 1 1 834 834 LYS N N 834 118.752 118.752 119.248 -0.496 25871 12356 1 18 . 1 1 834 834 LYS HA H 834 3.622 3.622 4.106 -0.484 25871 12357 1 18 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.033 0.391 25871 12358 1 18 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.293 -0.109 25871 12359 1 18 . 1 1 834 834 LYS H H 834 7.844 7.844 7.587 0.257 25871 12360 1 18 . 1 1 835 835 ILE N N 835 118.528 118.528 117.230 1.298 25871 12361 1 18 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.852 -0.082 25871 12362 1 18 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.361 -0.642 25871 12363 1 18 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.481 -0.575 25871 12364 1 18 . 1 1 835 835 ILE H H 835 7.311 7.311 7.364 -0.053 25871 12365 1 18 . 1 1 836 836 LEU N N 836 121.176 121.176 118.160 3.016 25871 12366 1 18 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.417 -0.427 25871 12367 1 18 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.828 0.338 25871 12368 1 18 . 1 1 836 836 LEU CB C 836 42.496 42.496 42.213 0.283 25871 12369 1 18 . 1 1 836 836 LEU H H 836 7.617 7.617 7.591 0.026 25871 12370 1 18 . 1 1 837 837 ALA N N 837 119.189 119.189 118.950 0.239 25871 12371 1 18 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.467 -0.543 25871 12372 1 18 . 1 1 837 837 ALA CA C 837 53.417 53.417 50.859 2.558 25871 12373 1 18 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.566 0.826 25871 12374 1 18 . 1 1 837 837 ALA H H 837 8.092 8.092 8.053 0.039 25871 12375 1 18 . 1 1 838 838 GLY N N 838 106.965 106.965 108.803 -1.838 25871 12376 1 18 . 1 1 838 838 GLY CA C 838 47.029 47.029 46.985 0.044 25871 12377 1 18 . 1 1 838 838 GLY H H 838 7.667 7.667 7.833 -0.167 25871 12378 1 18 . 1 1 839 839 ASP N N 839 122.392 122.392 119.845 2.547 25871 12379 1 18 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.614 -0.097 25871 12380 1 18 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.469 -0.888 25871 12381 1 18 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.003 -0.419 25871 12382 1 18 . 1 1 839 839 ASP H H 839 8.703 8.703 8.576 0.127 25871 12383 1 18 . 1 1 840 840 LYS N N 840 117.603 117.603 117.093 0.510 25871 12384 1 18 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.601 -0.269 25871 12385 1 18 . 1 1 840 840 LYS CA C 840 55.967 55.967 55.194 0.773 25871 12386 1 18 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.194 -1.443 25871 12387 1 18 . 1 1 840 840 LYS H H 840 7.592 7.592 7.682 -0.090 25871 12388 1 18 . 1 1 841 841 ASN N N 841 116.654 116.654 116.747 -0.093 25871 12389 1 18 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.996 -0.354 25871 12390 1 18 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.043 0.653 25871 12391 1 18 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.243 0.013 25871 12392 1 18 . 1 1 841 841 ASN H H 841 8.689 8.689 8.971 -0.282 25871 12393 1 18 . 1 1 842 842 TYR N N 842 112.231 112.231 113.884 -1.653 25871 12394 1 18 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.913 0.100 25871 12395 1 18 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.123 -1.990 25871 12396 1 18 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.293 1.335 25871 12397 1 18 . 1 1 842 842 TYR H H 842 6.638 6.638 7.321 -0.683 25871 12398 1 18 . 1 1 843 843 ILE N N 843 115.455 115.455 118.476 -3.021 25871 12399 1 18 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.187 0.613 25871 12400 1 18 . 1 1 843 843 ILE CA C 843 59.462 59.462 59.252 0.210 25871 12401 1 18 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.474 0.995 25871 12402 1 18 . 1 1 843 843 ILE H H 843 8.626 8.626 8.964 -0.338 25871 12403 1 18 . 1 1 844 844 THR N N 844 117.140 117.140 116.329 0.811 25871 12404 1 18 . 1 1 844 844 THR HA H 844 5.393 5.393 5.147 0.246 25871 12405 1 18 . 1 1 844 844 THR CA C 844 60.380 60.380 59.881 0.499 25871 12406 1 18 . 1 1 844 844 THR CB C 844 71.475 71.475 70.730 0.745 25871 12407 1 18 . 1 1 844 844 THR H H 844 9.329 9.329 7.968 1.361 25871 12408 1 18 . 1 1 845 845 MET N N 845 119.879 119.879 119.868 0.011 25871 12409 1 18 . 1 1 845 845 MET HA H 845 3.852 3.852 4.013 -0.161 25871 12410 1 18 . 1 1 845 845 MET CA C 845 60.389 60.389 60.690 -0.301 25871 12411 1 18 . 1 1 845 845 MET CB C 845 33.110 33.110 32.200 0.910 25871 12412 1 18 . 1 1 845 845 MET H H 845 8.555 8.555 8.539 0.016 25871 12413 1 18 . 1 1 846 846 ASP N N 846 116.360 116.360 117.632 -1.272 25871 12414 1 18 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.417 -0.107 25871 12415 1 18 . 1 1 846 846 ASP CA C 846 57.489 57.489 56.783 0.706 25871 12416 1 18 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.709 -0.037 25871 12417 1 18 . 1 1 846 846 ASP H H 846 8.375 8.375 8.459 -0.084 25871 12418 1 18 . 1 1 847 847 GLU N N 847 120.575 120.575 118.065 2.510 25871 12419 1 18 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.164 -0.278 25871 12420 1 18 . 1 1 847 847 GLU CA C 847 59.754 59.754 58.714 1.040 25871 12421 1 18 . 1 1 847 847 GLU CB C 847 29.757 29.757 30.198 -0.441 25871 12422 1 18 . 1 1 847 847 GLU H H 847 7.852 7.852 7.656 0.196 25871 12423 1 18 . 1 1 848 848 LEU N N 848 118.753 118.753 117.993 0.760 25871 12424 1 18 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.226 -0.366 25871 12425 1 18 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.185 0.498 25871 12426 1 18 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.310 1.214 25871 12427 1 18 . 1 1 848 848 LEU H H 848 7.834 7.834 8.183 -0.349 25871 12428 1 18 . 1 1 849 849 ARG N N 849 113.976 113.976 117.704 -3.728 25871 12429 1 18 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.153 -0.193 25871 12430 1 18 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.122 0.474 25871 12431 1 18 . 1 1 849 849 ARG CB C 849 30.145 30.145 29.830 0.315 25871 12432 1 18 . 1 1 849 849 ARG H H 849 8.055 8.055 7.892 0.163 25871 12433 1 18 . 1 1 850 850 ARG N N 850 118.184 118.184 118.699 -0.515 25871 12434 1 18 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.234 -0.003 25871 12435 1 18 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.418 -0.039 25871 12436 1 18 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.727 1.386 25871 12437 1 18 . 1 1 850 850 ARG H H 850 7.739 7.739 7.918 -0.179 25871 12438 1 18 . 1 1 851 851 GLU N N 851 115.550 115.550 119.166 -3.616 25871 12439 1 18 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.272 0.108 25871 12440 1 18 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.184 -1.190 25871 12441 1 18 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.722 0.963 25871 12442 1 18 . 1 1 851 851 GLU H H 851 7.591 7.591 7.638 -0.047 25871 12443 1 18 . 1 1 852 852 LEU N N 852 119.170 119.170 119.854 -0.684 25871 12444 1 18 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.862 0.064 25871 12445 1 18 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.178 0.112 25871 12446 1 18 . 1 1 852 852 LEU CB C 852 42.638 42.638 42.019 0.619 25871 12447 1 18 . 1 1 852 852 LEU H H 852 7.891 7.891 7.580 0.311 25871 12448 1 18 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.595 -0.290 25871 12449 1 18 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.243 4.159 25871 12450 1 18 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.269 0.055 25871 12451 1 18 . 1 1 855 855 ASP N N 855 114.853 114.853 118.584 -3.731 25871 12452 1 18 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.305 0.074 25871 12453 1 18 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.037 0.021 25871 12454 1 18 . 1 1 855 855 ASP CB C 855 39.239 39.239 39.940 -0.701 25871 12455 1 18 . 1 1 855 855 ASP H H 855 8.796 8.796 8.603 0.193 25871 12456 1 18 . 1 1 856 856 GLN N N 856 121.513 121.513 118.439 3.074 25871 12457 1 18 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.904 0.336 25871 12458 1 18 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.471 -0.087 25871 12459 1 18 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.858 1.484 25871 12460 1 18 . 1 1 856 856 GLN H H 856 7.471 7.471 8.349 -0.878 25871 12461 1 18 . 1 1 857 857 ALA N N 857 122.821 122.821 121.901 0.920 25871 12462 1 18 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.015 -0.185 25871 12463 1 18 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.873 0.532 25871 12464 1 18 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.215 -0.232 25871 12465 1 18 . 1 1 857 857 ALA H H 857 8.889 8.889 8.321 0.568 25871 12466 1 18 . 1 1 858 858 GLU N N 858 114.091 114.091 119.217 -5.126 25871 12467 1 18 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.033 0.023 25871 12468 1 18 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.592 -0.811 25871 12469 1 18 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.617 -0.950 25871 12470 1 18 . 1 1 858 858 GLU H H 858 8.143 8.143 7.776 0.367 25871 12471 1 18 . 1 1 859 859 TYR N N 859 120.670 120.670 119.161 1.509 25871 12472 1 18 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.248 -0.121 25871 12473 1 18 . 1 1 859 859 TYR CA C 859 61.148 61.148 60.925 0.223 25871 12474 1 18 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.922 0.816 25871 12475 1 18 . 1 1 859 859 TYR H H 859 7.708 7.708 8.672 -0.964 25871 12476 1 18 . 1 1 860 860 CYS N N 860 115.848 115.848 118.645 -2.797 25871 12477 1 18 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.019 0.169 25871 12478 1 18 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.100 0.338 25871 12479 1 18 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.459 0.006 25871 12480 1 18 . 1 1 860 860 CYS H H 860 8.119 8.119 7.993 0.126 25871 12481 1 18 . 1 1 861 861 ILE N N 861 120.124 120.124 120.532 -0.408 25871 12482 1 18 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.541 -0.177 25871 12483 1 18 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.578 0.154 25871 12484 1 18 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.703 1.020 25871 12485 1 18 . 1 1 861 861 ILE H H 861 8.451 8.451 8.117 0.334 25871 12486 1 18 . 1 1 862 862 ALA N N 862 116.691 116.691 120.528 -3.837 25871 12487 1 18 . 1 1 862 862 ALA HA H 862 4.250 4.250 3.961 0.289 25871 12488 1 18 . 1 1 862 862 ALA CA C 862 53.428 53.428 54.131 -0.703 25871 12489 1 18 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.544 0.531 25871 12490 1 18 . 1 1 862 862 ALA H H 862 7.304 7.304 7.985 -0.681 25871 12491 1 18 . 1 1 863 863 ARG N N 863 117.259 117.259 115.813 1.446 25871 12492 1 18 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.117 0.175 25871 12493 1 18 . 1 1 863 863 ARG CA C 863 56.439 56.439 56.012 0.427 25871 12494 1 18 . 1 1 863 863 ARG CB C 863 31.458 31.458 30.657 0.801 25871 12495 1 18 . 1 1 863 863 ARG H H 863 7.357 7.357 7.136 0.221 25871 12496 1 18 . 1 1 864 864 MET N N 864 117.570 117.570 117.528 0.042 25871 12497 1 18 . 1 1 864 864 MET HA H 864 4.598 4.598 4.059 0.539 25871 12498 1 18 . 1 1 864 864 MET CA C 864 55.180 55.180 56.302 -1.122 25871 12499 1 18 . 1 1 864 864 MET CB C 864 37.428 37.428 34.027 3.401 25871 12500 1 18 . 1 1 864 864 MET H H 864 7.147 7.147 7.342 -0.195 25871 12501 1 18 . 1 1 865 865 ALA N N 865 124.616 124.616 123.209 1.407 25871 12502 1 18 . 1 1 865 865 ALA HA H 865 3.933 3.933 5.028 -1.095 25871 12503 1 18 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.091 0.189 25871 12504 1 18 . 1 1 865 865 ALA CB C 865 18.649 18.649 19.326 -0.677 25871 12505 1 18 . 1 1 865 865 ALA H H 865 8.548 8.548 8.378 0.170 25871 12506 1 18 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.550 -0.031 25871 12507 1 18 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.498 0.323 25871 12508 1 18 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.465 -0.474 25871 12509 1 18 . 1 1 867 867 TYR N N 867 122.454 122.454 122.618 -0.164 25871 12510 1 18 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.693 -0.538 25871 12511 1 18 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.670 -0.719 25871 12512 1 18 . 1 1 867 867 TYR CB C 867 43.347 43.347 41.239 2.108 25871 12513 1 18 . 1 1 867 867 TYR H H 867 8.127 8.127 8.200 -0.073 25871 12514 1 18 . 1 1 869 869 GLY N N 869 105.881 105.881 110.275 -4.394 25871 12515 1 18 . 1 1 869 869 GLY CA C 869 45.090 45.090 43.101 1.989 25871 12516 1 18 . 1 1 869 869 GLY H H 869 5.440 5.440 6.420 -0.980 25871 12517 1 18 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.362 -0.001 25871 12518 1 18 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.629 0.212 25871 12519 1 18 . 1 1 870 870 PRO CB C 870 31.630 31.630 31.886 -0.256 25871 12520 1 18 . 1 1 871 871 ASP N N 871 116.217 116.217 119.371 -3.154 25871 12521 1 18 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.958 -0.322 25871 12522 1 18 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.320 -0.370 25871 12523 1 18 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.458 -1.308 25871 12524 1 18 . 1 1 871 871 ASP H H 871 9.263 9.263 8.164 1.099 25871 12525 1 18 . 1 1 872 872 SER N N 872 112.352 112.352 115.495 -3.143 25871 12526 1 18 . 1 1 872 872 SER HA H 872 3.530 3.530 4.412 -0.882 25871 12527 1 18 . 1 1 872 872 SER CA C 872 59.184 59.184 58.938 0.246 25871 12528 1 18 . 1 1 872 872 SER CB C 872 63.286 63.286 64.179 -0.893 25871 12529 1 18 . 1 1 872 872 SER H H 872 7.487 7.487 7.544 -0.057 25871 12530 1 18 . 1 1 873 873 VAL N N 873 113.588 113.588 114.847 -1.259 25871 12531 1 18 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.643 0.110 25871 12532 1 18 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.415 -0.347 25871 12533 1 18 . 1 1 873 873 VAL CB C 873 32.917 32.917 32.647 0.270 25871 12534 1 18 . 1 1 873 873 VAL H H 873 6.411 6.411 7.855 -1.444 25871 12535 1 18 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.364 -0.034 25871 12536 1 18 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.822 -0.512 25871 12537 1 18 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.878 -0.255 25871 12538 1 18 . 1 1 875 875 GLY N N 875 112.109 112.109 105.346 6.763 25871 12539 1 18 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.183 1.309 25871 12540 1 18 . 1 1 875 875 GLY H H 875 8.798 8.798 8.242 0.556 25871 12541 1 18 . 1 1 876 876 ALA N N 876 120.267 120.267 124.105 -3.838 25871 12542 1 18 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.282 -1.145 25871 12543 1 18 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.902 2.361 25871 12544 1 18 . 1 1 876 876 ALA CB C 876 20.554 20.554 20.969 -0.415 25871 12545 1 18 . 1 1 876 876 ALA H H 876 7.762 7.762 7.756 0.006 25871 12546 1 18 . 1 1 877 877 LEU N N 877 125.696 125.696 122.939 2.757 25871 12547 1 18 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.096 -0.292 25871 12548 1 18 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.884 0.408 25871 12549 1 18 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.570 -1.729 25871 12550 1 18 . 1 1 877 877 LEU H H 877 9.598 9.598 9.386 0.212 25871 12551 1 18 . 1 1 878 878 ASP N N 878 119.836 119.836 123.108 -3.272 25871 12552 1 18 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.027 -0.108 25871 12553 1 18 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.870 -0.740 25871 12554 1 18 . 1 1 878 878 ASP CB C 878 40.798 40.798 41.773 -0.975 25871 12555 1 18 . 1 1 878 878 ASP H H 878 9.028 9.028 8.667 0.361 25871 12556 1 18 . 1 1 879 879 TYR N N 879 126.600 126.600 125.139 1.461 25871 12557 1 18 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.233 0.385 25871 12558 1 18 . 1 1 879 879 TYR CA C 879 59.557 59.557 60.054 -0.497 25871 12559 1 18 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.263 -0.739 25871 12560 1 18 . 1 1 879 879 TYR H H 879 7.454 7.454 8.028 -0.574 25871 12561 1 18 . 1 1 880 880 MET N N 880 119.910 119.910 117.147 2.763 25871 12562 1 18 . 1 1 880 880 MET HA H 880 4.619 4.619 3.656 0.963 25871 12563 1 18 . 1 1 880 880 MET CA C 880 56.205 56.205 57.783 -1.578 25871 12564 1 18 . 1 1 880 880 MET CB C 880 32.338 32.338 31.980 0.358 25871 12565 1 18 . 1 1 880 880 MET H H 880 7.620 7.620 7.304 0.316 25871 12566 1 18 . 1 1 881 881 SER N N 881 114.353 114.353 113.581 0.772 25871 12567 1 18 . 1 1 881 881 SER HA H 881 4.501 4.501 4.404 0.097 25871 12568 1 18 . 1 1 881 881 SER CA C 881 58.957 58.957 59.376 -0.419 25871 12569 1 18 . 1 1 881 881 SER CB C 881 64.284 64.284 63.481 0.803 25871 12570 1 18 . 1 1 881 881 SER H H 881 7.721 7.721 7.799 -0.078 25871 12571 1 18 . 1 1 882 882 PHE N N 882 122.746 122.746 124.834 -2.088 25871 12572 1 18 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.730 0.019 25871 12573 1 18 . 1 1 882 882 PHE CA C 882 59.451 59.451 59.911 -0.460 25871 12574 1 18 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.562 1.734 25871 12575 1 18 . 1 1 882 882 PHE H H 882 7.386 7.386 7.525 -0.139 25871 12576 1 18 . 1 1 883 883 SER N N 883 120.214 120.214 114.232 5.982 25871 12577 1 18 . 1 1 883 883 SER HA H 883 4.338 4.338 3.891 0.447 25871 12578 1 18 . 1 1 883 883 SER CA C 883 57.455 57.455 60.825 -3.370 25871 12579 1 18 . 1 1 883 883 SER CB C 883 64.684 64.684 63.005 1.679 25871 12580 1 18 . 1 1 883 883 SER H H 883 7.464 7.464 8.223 -0.759 25871 12581 1 18 . 1 1 884 884 THR N N 884 110.671 110.671 112.058 -1.387 25871 12582 1 18 . 1 1 884 884 THR HA H 884 4.008 4.008 4.372 -0.364 25871 12583 1 18 . 1 1 884 884 THR CA C 884 63.367 63.367 61.136 2.231 25871 12584 1 18 . 1 1 884 884 THR CB C 884 69.088 69.088 69.797 -0.709 25871 12585 1 18 . 1 1 884 884 THR H H 884 7.993 7.993 7.564 0.429 25871 12586 1 18 . 1 1 885 885 ALA N N 885 125.453 125.453 124.260 1.193 25871 12587 1 18 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.757 -0.487 25871 12588 1 18 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.049 0.111 25871 12589 1 18 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.273 -1.963 25871 12590 1 18 . 1 1 885 885 ALA H H 885 7.905 7.905 7.578 0.327 25871 12591 1 18 . 1 1 886 886 LEU N N 886 120.791 120.791 119.832 0.959 25871 12592 1 18 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.534 -1.487 25871 12593 1 18 . 1 1 886 886 LEU CA C 886 55.496 55.496 53.817 1.679 25871 12594 1 18 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.302 -2.963 25871 12595 1 18 . 1 1 886 886 LEU H H 886 8.087 8.087 8.200 -0.113 25871 12596 1 18 . 1 1 887 887 TYR N N 887 121.620 121.620 118.236 3.384 25871 12597 1 18 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.887 -0.484 25871 12598 1 18 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.300 1.494 25871 12599 1 18 . 1 1 887 887 TYR CB C 887 38.621 38.621 38.833 -0.212 25871 12600 1 18 . 1 1 887 887 TYR H H 887 8.272 8.272 8.403 -0.131 25871 12601 1 18 . 1 1 888 888 GLY N N 888 112.443 112.443 109.745 2.698 25871 12602 1 18 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.503 0.692 25871 12603 1 18 . 1 1 888 888 GLY H H 888 8.087 8.087 8.070 0.017 25871 12604 1 18 . 1 1 889 889 GLU N N 889 120.272 120.272 120.538 -0.266 25871 12605 1 18 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.617 -0.322 25871 12606 1 18 . 1 1 889 889 GLU CA C 889 56.593 56.593 55.684 0.909 25871 12607 1 18 . 1 1 889 889 GLU CB C 889 30.601 30.601 31.339 -0.738 25871 12608 1 18 . 1 1 889 889 GLU H H 889 7.991 7.991 7.723 0.268 25871 12609 1 18 . 1 1 890 890 SER N N 890 116.330 116.330 117.308 -0.978 25871 12610 1 18 . 1 1 890 890 SER HA H 890 4.452 4.452 4.669 -0.217 25871 12611 1 18 . 1 1 890 890 SER CA C 890 58.334 58.334 56.668 1.666 25871 12612 1 18 . 1 1 890 890 SER CB C 890 64.174 64.174 64.478 -0.303 25871 12613 1 18 . 1 1 890 890 SER H H 890 8.325 8.325 8.296 0.029 25871 12614 1 18 . 1 1 891 891 ASP N N 891 122.987 122.987 120.265 2.722 25871 12615 1 18 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.730 -0.078 25871 12616 1 18 . 1 1 891 891 ASP CA C 891 54.534 54.534 54.406 0.128 25871 12617 1 18 . 1 1 891 891 ASP CB C 891 40.981 40.981 41.151 -0.170 25871 12618 1 18 . 1 1 891 891 ASP H H 891 8.387 8.387 8.343 0.044 25871 12619 1 19 . 1 1 743 743 ILE N N 743 122.085 122.085 123.719 -1.634 25871 12620 1 19 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.085 0.271 25871 12621 1 19 . 1 1 743 743 ILE CA C 743 60.624 60.624 62.372 -1.748 25871 12622 1 19 . 1 1 743 743 ILE CB C 743 39.023 39.023 37.531 1.492 25871 12623 1 19 . 1 1 743 743 ILE H H 743 8.122 8.122 8.512 -0.390 25871 12624 1 19 . 1 1 744 744 SER N N 744 123.378 123.378 123.440 -0.062 25871 12625 1 19 . 1 1 744 744 SER HA H 744 4.472 4.472 4.670 -0.198 25871 12626 1 19 . 1 1 744 744 SER CA C 744 57.581 57.581 57.043 0.538 25871 12627 1 19 . 1 1 744 744 SER CB C 744 65.276 65.276 64.704 0.572 25871 12628 1 19 . 1 1 744 744 SER H H 744 8.844 8.844 8.248 0.596 25871 12629 1 19 . 1 1 745 745 GLN N N 745 121.612 121.612 121.036 0.576 25871 12630 1 19 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.070 -0.092 25871 12631 1 19 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.556 -0.669 25871 12632 1 19 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.512 0.014 25871 12633 1 19 . 1 1 745 745 GLN H H 745 9.035 9.035 8.931 0.104 25871 12634 1 19 . 1 1 746 746 GLU N N 746 118.618 118.618 116.825 1.793 25871 12635 1 19 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.154 -0.120 25871 12636 1 19 . 1 1 746 746 GLU CA C 746 60.297 60.297 59.121 1.175 25871 12637 1 19 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.538 0.406 25871 12638 1 19 . 1 1 746 746 GLU H H 746 8.718 8.718 8.824 -0.106 25871 12639 1 19 . 1 1 747 747 GLN N N 747 120.436 120.436 119.655 0.781 25871 12640 1 19 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.397 -0.573 25871 12641 1 19 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.770 -0.266 25871 12642 1 19 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.248 -0.293 25871 12643 1 19 . 1 1 747 747 GLN H H 747 7.821 7.821 7.327 0.494 25871 12644 1 19 . 1 1 748 748 MET N N 748 119.174 119.174 117.874 1.300 25871 12645 1 19 . 1 1 748 748 MET HA H 748 4.228 4.228 4.470 -0.242 25871 12646 1 19 . 1 1 748 748 MET CA C 748 58.305 58.305 59.311 -1.006 25871 12647 1 19 . 1 1 748 748 MET CB C 748 30.922 30.922 32.196 -1.274 25871 12648 1 19 . 1 1 748 748 MET H H 748 8.477 8.477 8.262 0.215 25871 12649 1 19 . 1 1 749 749 ASN N N 749 117.610 117.610 119.451 -1.841 25871 12650 1 19 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.439 0.066 25871 12651 1 19 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.871 -0.909 25871 12652 1 19 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.335 -0.430 25871 12653 1 19 . 1 1 749 749 ASN H H 749 8.302 8.302 8.053 0.249 25871 12654 1 19 . 1 1 750 750 GLU N N 750 122.737 122.737 120.187 2.550 25871 12655 1 19 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.069 0.177 25871 12656 1 19 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.710 0.815 25871 12657 1 19 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.002 0.407 25871 12658 1 19 . 1 1 750 750 GLU H H 750 7.789 7.789 7.748 0.041 25871 12659 1 19 . 1 1 751 751 PHE N N 751 120.358 120.358 121.926 -1.568 25871 12660 1 19 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.561 0.417 25871 12661 1 19 . 1 1 751 751 PHE CA C 751 58.643 58.643 61.720 -3.077 25871 12662 1 19 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.947 -1.469 25871 12663 1 19 . 1 1 751 751 PHE H H 751 8.772 8.772 8.320 0.452 25871 12664 1 19 . 1 1 752 752 ARG N N 752 120.173 120.173 119.467 0.706 25871 12665 1 19 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.341 -0.194 25871 12666 1 19 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.841 -3.040 25871 12667 1 19 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.083 0.279 25871 12668 1 19 . 1 1 752 752 ARG H H 752 8.990 8.990 8.850 0.140 25871 12669 1 19 . 1 1 753 753 ALA N N 753 120.965 120.965 121.952 -0.987 25871 12670 1 19 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.272 -0.017 25871 12671 1 19 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.286 0.139 25871 12672 1 19 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.302 -0.290 25871 12673 1 19 . 1 1 753 753 ALA H H 753 8.136 8.136 8.515 -0.379 25871 12674 1 19 . 1 1 754 754 SER N N 754 115.350 115.350 115.817 -0.467 25871 12675 1 19 . 1 1 754 754 SER HA H 754 4.451 4.451 4.323 0.128 25871 12676 1 19 . 1 1 754 754 SER CA C 754 63.045 63.045 61.747 1.298 25871 12677 1 19 . 1 1 754 754 SER CB C 754 63.111 63.111 63.315 -0.204 25871 12678 1 19 . 1 1 754 754 SER H H 754 8.366 8.366 8.387 -0.021 25871 12679 1 19 . 1 1 755 755 PHE N N 755 121.902 121.902 123.653 -1.751 25871 12680 1 19 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.343 -0.357 25871 12681 1 19 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.551 1.802 25871 12682 1 19 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.061 1.104 25871 12683 1 19 . 1 1 755 755 PHE H H 755 8.498 8.498 8.279 0.219 25871 12684 1 19 . 1 1 756 756 ASN N N 756 114.071 114.071 117.722 -3.651 25871 12685 1 19 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.763 0.767 25871 12686 1 19 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.346 0.459 25871 12687 1 19 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.499 -0.566 25871 12688 1 19 . 1 1 756 756 ASN H H 756 8.722 8.722 7.986 0.736 25871 12689 1 19 . 1 1 757 757 HIS N N 757 119.524 119.524 119.180 0.344 25871 12690 1 19 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.276 -0.154 25871 12691 1 19 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.474 -0.004 25871 12692 1 19 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.105 -0.057 25871 12693 1 19 . 1 1 757 757 HIS H H 757 8.027 8.027 8.080 -0.053 25871 12694 1 19 . 1 1 758 758 PHE N N 758 113.439 113.439 114.300 -0.861 25871 12695 1 19 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.515 -0.408 25871 12696 1 19 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.687 0.381 25871 12697 1 19 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.846 0.141 25871 12698 1 19 . 1 1 758 758 PHE H H 758 7.322 7.322 8.059 -0.737 25871 12699 1 19 . 1 1 759 759 ASP N N 759 121.632 121.632 119.601 2.031 25871 12700 1 19 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.755 -0.139 25871 12701 1 19 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.456 0.152 25871 12702 1 19 . 1 1 759 759 ASP CB C 759 38.681 38.681 38.996 -0.315 25871 12703 1 19 . 1 1 759 759 ASP H H 759 7.439 7.439 8.462 -1.023 25871 12704 1 19 . 1 1 760 760 ARG N N 760 123.429 123.429 122.089 1.340 25871 12705 1 19 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.778 0.047 25871 12706 1 19 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.110 1.521 25871 12707 1 19 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.043 0.030 25871 12708 1 19 . 1 1 760 760 ARG H H 760 7.797 7.797 7.711 0.086 25871 12709 1 19 . 1 1 761 761 ASP N N 761 115.027 115.027 117.722 -2.695 25871 12710 1 19 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.547 -0.066 25871 12711 1 19 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.757 -1.279 25871 12712 1 19 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.204 -1.704 25871 12713 1 19 . 1 1 761 761 ASP H H 761 8.470 8.470 7.664 0.806 25871 12714 1 19 . 1 1 762 762 HIS N N 762 117.442 117.442 116.527 0.915 25871 12715 1 19 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.358 -0.121 25871 12716 1 19 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.904 -0.411 25871 12717 1 19 . 1 1 762 762 HIS CB C 762 26.581 26.581 26.811 -0.230 25871 12718 1 19 . 1 1 762 762 HIS H H 762 7.716 7.716 7.596 0.120 25871 12719 1 19 . 1 1 763 763 SER N N 763 117.624 117.624 115.362 2.262 25871 12720 1 19 . 1 1 763 763 SER HA H 763 4.441 4.441 4.303 0.138 25871 12721 1 19 . 1 1 763 763 SER CA C 763 59.706 59.706 59.564 0.142 25871 12722 1 19 . 1 1 763 763 SER CB C 763 65.228 65.228 64.390 0.838 25871 12723 1 19 . 1 1 763 763 SER H H 763 9.708 9.708 8.394 1.314 25871 12724 1 19 . 1 1 764 764 GLY N N 764 117.320 117.320 109.362 7.958 25871 12725 1 19 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.398 0.361 25871 12726 1 19 . 1 1 764 764 GLY H H 764 11.185 11.185 9.286 1.899 25871 12727 1 19 . 1 1 765 765 THR N N 765 110.392 110.392 111.016 -0.624 25871 12728 1 19 . 1 1 765 765 THR HA H 765 5.197 5.197 5.196 0.001 25871 12729 1 19 . 1 1 765 765 THR CA C 765 59.125 59.125 60.361 -1.236 25871 12730 1 19 . 1 1 765 765 THR CB C 765 73.022 73.022 72.217 0.805 25871 12731 1 19 . 1 1 765 765 THR H H 765 7.972 7.972 7.572 0.400 25871 12732 1 19 . 1 1 766 766 LEU N N 766 117.658 117.658 120.237 -2.579 25871 12733 1 19 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.682 0.142 25871 12734 1 19 . 1 1 766 766 LEU CA C 766 52.752 52.752 52.894 -0.142 25871 12735 1 19 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.961 -1.748 25871 12736 1 19 . 1 1 766 766 LEU H H 766 8.589 8.589 8.516 0.073 25871 12737 1 19 . 1 1 767 767 GLY N N 767 108.644 108.644 107.112 1.532 25871 12738 1 19 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.266 0.670 25871 12739 1 19 . 1 1 767 767 GLY H H 767 8.601 8.601 8.270 0.331 25871 12740 1 19 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.451 -0.170 25871 12741 1 19 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.469 1.404 25871 12742 1 19 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.234 -0.043 25871 12743 1 19 . 1 1 769 769 GLU N N 769 115.170 115.170 120.156 -4.986 25871 12744 1 19 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.895 0.037 25871 12745 1 19 . 1 1 769 769 GLU CA C 769 59.773 59.773 60.016 -0.243 25871 12746 1 19 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.119 -0.291 25871 12747 1 19 . 1 1 769 769 GLU H H 769 8.649 8.649 8.910 -0.261 25871 12748 1 19 . 1 1 770 770 GLU N N 770 121.294 121.294 120.724 0.570 25871 12749 1 19 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.231 -0.118 25871 12750 1 19 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.925 -0.307 25871 12751 1 19 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.394 0.909 25871 12752 1 19 . 1 1 770 770 GLU H H 770 7.846 7.846 8.135 -0.289 25871 12753 1 19 . 1 1 771 771 PHE N N 771 119.292 119.292 118.736 0.556 25871 12754 1 19 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.090 0.152 25871 12755 1 19 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.907 -0.803 25871 12756 1 19 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.885 -0.159 25871 12757 1 19 . 1 1 771 771 PHE H H 771 8.876 8.876 8.360 0.516 25871 12758 1 19 . 1 1 772 772 LYS N N 772 120.139 120.139 120.254 -0.115 25871 12759 1 19 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.947 -0.771 25871 12760 1 19 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.536 0.949 25871 12761 1 19 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.324 -0.640 25871 12762 1 19 . 1 1 772 772 LYS H H 772 8.404 8.404 7.694 0.710 25871 12763 1 19 . 1 1 773 773 ALA N N 773 118.856 118.856 121.507 -2.651 25871 12764 1 19 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.142 -0.350 25871 12765 1 19 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.442 0.525 25871 12766 1 19 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.378 -0.432 25871 12767 1 19 . 1 1 773 773 ALA H H 773 7.180 7.180 8.056 -0.876 25871 12768 1 19 . 1 1 774 774 CYS N N 774 121.600 121.600 116.382 5.218 25871 12769 1 19 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.885 0.301 25871 12770 1 19 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.676 -0.097 25871 12771 1 19 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.711 -0.681 25871 12772 1 19 . 1 1 774 774 CYS H H 774 7.731 7.731 7.639 0.092 25871 12773 1 19 . 1 1 775 775 LEU N N 775 120.029 120.029 119.499 0.530 25871 12774 1 19 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.581 0.258 25871 12775 1 19 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.212 1.137 25871 12776 1 19 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.282 -0.754 25871 12777 1 19 . 1 1 775 775 LEU H H 775 8.353 8.353 7.001 1.352 25871 12778 1 19 . 1 1 776 776 ILE N N 776 121.900 121.900 118.954 2.946 25871 12779 1 19 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.092 0.137 25871 12780 1 19 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.547 0.976 25871 12781 1 19 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.575 0.686 25871 12782 1 19 . 1 1 776 776 ILE H H 776 8.405 8.405 7.331 1.074 25871 12783 1 19 . 1 1 777 777 SER N N 777 119.490 119.490 114.263 5.227 25871 12784 1 19 . 1 1 777 777 SER HA H 777 4.435 4.435 4.295 0.140 25871 12785 1 19 . 1 1 777 777 SER CA C 777 61.843 61.843 60.883 0.960 25871 12786 1 19 . 1 1 777 777 SER CB C 777 62.953 62.953 63.051 -0.098 25871 12787 1 19 . 1 1 777 777 SER H H 777 8.144 8.144 7.444 0.700 25871 12788 1 19 . 1 1 778 778 LEU N N 778 122.142 122.142 117.020 5.122 25871 12789 1 19 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.545 0.097 25871 12790 1 19 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.060 0.017 25871 12791 1 19 . 1 1 778 778 LEU CB C 778 42.620 42.620 43.146 -0.526 25871 12792 1 19 . 1 1 778 778 LEU H H 778 7.644 7.644 7.694 -0.050 25871 12793 1 19 . 1 1 779 779 GLY N N 779 106.613 106.613 104.805 1.808 25871 12794 1 19 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.487 0.663 25871 12795 1 19 . 1 1 779 779 GLY H H 779 7.982 7.982 7.591 0.391 25871 12796 1 19 . 1 1 780 780 TYR N N 780 121.620 121.620 120.109 1.511 25871 12797 1 19 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.595 -0.430 25871 12798 1 19 . 1 1 780 780 TYR CA C 780 59.373 59.373 56.752 2.621 25871 12799 1 19 . 1 1 780 780 TYR CB C 780 38.394 38.394 40.022 -1.628 25871 12800 1 19 . 1 1 780 780 TYR H H 780 8.174 8.174 7.729 0.445 25871 12801 1 19 . 1 1 781 781 ASP N N 781 124.225 124.225 121.703 2.522 25871 12802 1 19 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.667 0.022 25871 12803 1 19 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.756 -0.191 25871 12804 1 19 . 1 1 781 781 ASP CB C 781 40.115 40.115 40.127 -0.012 25871 12805 1 19 . 1 1 781 781 ASP H H 781 8.650 8.650 8.874 -0.224 25871 12806 1 19 . 1 1 782 782 ILE N N 782 123.492 123.492 121.160 2.332 25871 12807 1 19 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.236 0.013 25871 12808 1 19 . 1 1 782 782 ILE CA C 782 59.490 59.490 61.023 -1.533 25871 12809 1 19 . 1 1 782 782 ILE CB C 782 38.425 38.425 36.723 1.702 25871 12810 1 19 . 1 1 782 782 ILE H H 782 7.300 7.300 8.059 -0.759 25871 12811 1 19 . 1 1 783 783 GLY N N 783 113.404 113.404 114.110 -0.706 25871 12812 1 19 . 1 1 783 783 GLY CA C 783 44.630 44.630 45.234 -0.604 25871 12813 1 19 . 1 1 783 783 GLY H H 783 8.345 8.345 8.031 0.314 25871 12814 1 19 . 1 1 784 784 ASN N N 784 119.115 119.115 117.610 1.505 25871 12815 1 19 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.272 0.656 25871 12816 1 19 . 1 1 784 784 ASN CA C 784 52.055 52.055 54.547 -2.492 25871 12817 1 19 . 1 1 784 784 ASN CB C 784 37.467 37.467 37.766 -0.299 25871 12818 1 19 . 1 1 784 784 ASN H H 784 8.476 8.476 8.570 -0.094 25871 12819 1 19 . 1 1 785 785 ASP N N 785 119.675 119.675 118.800 0.875 25871 12820 1 19 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.905 -0.085 25871 12821 1 19 . 1 1 785 785 ASP CA C 785 52.365 52.365 52.763 -0.397 25871 12822 1 19 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.462 -1.726 25871 12823 1 19 . 1 1 785 785 ASP H H 785 8.081 8.081 8.161 -0.080 25871 12824 1 19 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.349 -0.043 25871 12825 1 19 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.046 1.167 25871 12826 1 19 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.120 -0.140 25871 12827 1 19 . 1 1 787 787 GLN N N 787 118.154 118.154 119.209 -1.055 25871 12828 1 19 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.195 -0.017 25871 12829 1 19 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.822 0.612 25871 12830 1 19 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.041 0.626 25871 12831 1 19 . 1 1 787 787 GLN H H 787 8.413 8.413 8.446 -0.033 25871 12832 1 19 . 1 1 788 788 GLY N N 788 113.343 113.343 109.539 3.804 25871 12833 1 19 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.614 0.837 25871 12834 1 19 . 1 1 788 788 GLY H H 788 8.644 8.644 8.437 0.207 25871 12835 1 19 . 1 1 789 789 GLU N N 789 121.232 121.232 121.870 -0.638 25871 12836 1 19 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.086 0.075 25871 12837 1 19 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.753 -0.320 25871 12838 1 19 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.460 0.181 25871 12839 1 19 . 1 1 789 789 GLU H H 789 8.539 8.539 8.521 0.018 25871 12840 1 19 . 1 1 790 790 ALA N N 790 122.805 122.805 120.414 2.391 25871 12841 1 19 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.167 0.106 25871 12842 1 19 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.039 -0.091 25871 12843 1 19 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.520 -0.620 25871 12844 1 19 . 1 1 790 790 ALA H H 790 8.035 8.035 7.610 0.425 25871 12845 1 19 . 1 1 791 791 GLU N N 791 122.504 122.504 117.024 5.480 25871 12846 1 19 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.253 0.496 25871 12847 1 19 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.222 1.245 25871 12848 1 19 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.926 -1.347 25871 12849 1 19 . 1 1 791 791 GLU H H 791 8.309 8.309 7.735 0.574 25871 12850 1 19 . 1 1 792 792 PHE N N 792 119.966 119.966 122.295 -2.329 25871 12851 1 19 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.217 -0.019 25871 12852 1 19 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.787 0.832 25871 12853 1 19 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.175 -0.710 25871 12854 1 19 . 1 1 792 792 PHE H H 792 8.835 8.835 8.653 0.182 25871 12855 1 19 . 1 1 793 793 ALA N N 793 119.978 119.978 122.308 -2.330 25871 12856 1 19 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.616 0.290 25871 12857 1 19 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.555 -0.535 25871 12858 1 19 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.145 -0.509 25871 12859 1 19 . 1 1 793 793 ALA H H 793 8.147 8.147 8.263 -0.116 25871 12860 1 19 . 1 1 794 794 ARG N N 794 121.286 121.286 115.614 5.672 25871 12861 1 19 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.071 -0.134 25871 12862 1 19 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.201 1.435 25871 12863 1 19 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.913 0.344 25871 12864 1 19 . 1 1 794 794 ARG H H 794 7.953 7.953 7.301 0.652 25871 12865 1 19 . 1 1 795 795 ILE N N 795 121.594 121.594 121.511 0.083 25871 12866 1 19 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.426 -0.115 25871 12867 1 19 . 1 1 795 795 ILE CA C 795 66.176 66.176 65.020 1.156 25871 12868 1 19 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.910 0.424 25871 12869 1 19 . 1 1 795 795 ILE H H 795 8.091 8.091 7.179 0.912 25871 12870 1 19 . 1 1 796 796 MET N N 796 118.593 118.593 117.502 1.091 25871 12871 1 19 . 1 1 796 796 MET HA H 796 4.266 4.266 3.972 0.294 25871 12872 1 19 . 1 1 796 796 MET CA C 796 56.204 56.204 59.091 -2.887 25871 12873 1 19 . 1 1 796 796 MET CB C 796 29.453 29.453 31.712 -2.259 25871 12874 1 19 . 1 1 796 796 MET H H 796 8.543 8.543 8.119 0.424 25871 12875 1 19 . 1 1 797 797 SER N N 797 114.792 114.792 114.630 0.162 25871 12876 1 19 . 1 1 797 797 SER HA H 797 4.131 4.131 4.234 -0.103 25871 12877 1 19 . 1 1 797 797 SER CA C 797 61.233 61.233 61.595 -0.362 25871 12878 1 19 . 1 1 797 797 SER CB C 797 63.017 63.017 62.972 0.045 25871 12879 1 19 . 1 1 797 797 SER H H 797 7.740 7.740 7.543 0.197 25871 12880 1 19 . 1 1 798 798 ILE N N 798 121.041 121.041 120.224 0.817 25871 12881 1 19 . 1 1 798 798 ILE HA H 798 3.869 3.869 3.992 -0.123 25871 12882 1 19 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.706 0.233 25871 12883 1 19 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.932 -0.041 25871 12884 1 19 . 1 1 798 798 ILE H H 798 7.352 7.352 7.601 -0.249 25871 12885 1 19 . 1 1 799 799 VAL N N 799 110.418 110.418 111.690 -1.272 25871 12886 1 19 . 1 1 799 799 VAL HA H 799 4.211 4.211 4.005 0.206 25871 12887 1 19 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.594 -0.411 25871 12888 1 19 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.498 -0.088 25871 12889 1 19 . 1 1 799 799 VAL H H 799 7.806 7.806 7.805 0.001 25871 12890 1 19 . 1 1 800 800 ASP N N 800 119.703 119.703 119.681 0.022 25871 12891 1 19 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.035 0.222 25871 12892 1 19 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.816 -0.081 25871 12893 1 19 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.503 -0.169 25871 12894 1 19 . 1 1 800 800 ASP H H 800 8.124 8.124 7.566 0.558 25871 12895 1 19 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.592 -0.232 25871 12896 1 19 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.078 0.957 25871 12897 1 19 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.425 -0.528 25871 12898 1 19 . 1 1 802 802 ASN N N 802 115.156 115.156 117.288 -2.132 25871 12899 1 19 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.690 0.089 25871 12900 1 19 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.252 -0.024 25871 12901 1 19 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.541 -0.327 25871 12902 1 19 . 1 1 802 802 ASN H H 802 8.967 8.967 7.843 1.124 25871 12903 1 19 . 1 1 803 803 ARG N N 803 117.568 117.568 116.341 1.227 25871 12904 1 19 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.108 -0.259 25871 12905 1 19 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.579 0.397 25871 12906 1 19 . 1 1 803 803 ARG CB C 803 26.440 26.440 27.024 -0.584 25871 12907 1 19 . 1 1 803 803 ARG H H 803 8.013 8.013 7.890 0.123 25871 12908 1 19 . 1 1 804 804 LEU N N 804 122.899 122.899 119.973 2.926 25871 12909 1 19 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.167 0.045 25871 12910 1 19 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.865 0.296 25871 12911 1 19 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.392 0.496 25871 12912 1 19 . 1 1 804 804 LEU H H 804 10.338 10.338 8.805 1.533 25871 12913 1 19 . 1 1 805 805 GLY N N 805 110.909 110.909 106.399 4.510 25871 12914 1 19 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.373 -0.092 25871 12915 1 19 . 1 1 805 805 GLY H H 805 10.955 10.955 9.158 1.797 25871 12916 1 19 . 1 1 806 806 VAL N N 806 111.683 111.683 114.075 -2.392 25871 12917 1 19 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.211 -0.628 25871 12918 1 19 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.455 -0.040 25871 12919 1 19 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.019 1.284 25871 12920 1 19 . 1 1 806 806 VAL H H 806 6.806 6.806 7.550 -0.744 25871 12921 1 19 . 1 1 807 807 VAL N N 807 123.649 123.649 120.134 3.515 25871 12922 1 19 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.454 -0.268 25871 12923 1 19 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.480 1.200 25871 12924 1 19 . 1 1 807 807 VAL CB C 807 32.903 32.903 34.716 -1.813 25871 12925 1 19 . 1 1 807 807 VAL H H 807 9.156 9.156 8.869 0.287 25871 12926 1 19 . 1 1 808 808 THR N N 808 116.404 116.404 118.568 -2.164 25871 12927 1 19 . 1 1 808 808 THR HA H 808 4.782 4.782 4.848 -0.066 25871 12928 1 19 . 1 1 808 808 THR CA C 808 62.526 62.526 59.112 3.414 25871 12929 1 19 . 1 1 808 808 THR CB C 808 69.707 69.707 71.073 -1.367 25871 12930 1 19 . 1 1 808 808 THR H H 808 7.948 7.948 8.209 -0.261 25871 12931 1 19 . 1 1 809 809 PHE N N 809 121.514 121.514 123.492 -1.978 25871 12932 1 19 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.479 -0.977 25871 12933 1 19 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.322 -0.543 25871 12934 1 19 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.965 -0.530 25871 12935 1 19 . 1 1 809 809 PHE H H 809 8.528 8.528 8.375 0.153 25871 12936 1 19 . 1 1 810 810 GLN N N 810 116.869 116.869 118.317 -1.448 25871 12937 1 19 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.711 -0.090 25871 12938 1 19 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.929 0.619 25871 12939 1 19 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.996 0.401 25871 12940 1 19 . 1 1 810 810 GLN H H 810 8.638 8.638 8.285 0.353 25871 12941 1 19 . 1 1 811 811 ALA N N 811 121.318 121.318 122.824 -1.506 25871 12942 1 19 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.990 0.158 25871 12943 1 19 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.592 0.497 25871 12944 1 19 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.624 0.616 25871 12945 1 19 . 1 1 811 811 ALA H H 811 7.795 7.795 7.510 0.285 25871 12946 1 19 . 1 1 812 812 PHE N N 812 119.498 119.498 116.517 2.981 25871 12947 1 19 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.838 0.339 25871 12948 1 19 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.417 1.080 25871 12949 1 19 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.600 0.426 25871 12950 1 19 . 1 1 812 812 PHE H H 812 8.093 8.093 7.706 0.387 25871 12951 1 19 . 1 1 813 813 ILE N N 813 119.554 119.554 117.882 1.672 25871 12952 1 19 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.624 0.521 25871 12953 1 19 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.704 -0.528 25871 12954 1 19 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.641 0.149 25871 12955 1 19 . 1 1 813 813 ILE H H 813 8.316 8.316 6.520 1.796 25871 12956 1 19 . 1 1 814 814 ASP N N 814 123.772 123.772 120.659 3.113 25871 12957 1 19 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.202 0.038 25871 12958 1 19 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.417 0.486 25871 12959 1 19 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.745 -0.503 25871 12960 1 19 . 1 1 814 814 ASP H H 814 8.434 8.434 7.401 1.033 25871 12961 1 19 . 1 1 815 815 PHE N N 815 121.079 121.079 115.611 5.468 25871 12962 1 19 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.379 -0.206 25871 12963 1 19 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.811 2.314 25871 12964 1 19 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.053 1.239 25871 12965 1 19 . 1 1 815 815 PHE H H 815 7.904 7.904 6.951 0.953 25871 12966 1 19 . 1 1 816 816 MET N N 816 117.231 117.231 121.389 -4.158 25871 12967 1 19 . 1 1 816 816 MET HA H 816 3.864 3.864 4.294 -0.430 25871 12968 1 19 . 1 1 816 816 MET CA C 816 55.934 55.934 57.534 -1.600 25871 12969 1 19 . 1 1 816 816 MET CB C 816 30.451 30.451 31.169 -0.718 25871 12970 1 19 . 1 1 816 816 MET H H 816 8.270 8.270 7.488 0.782 25871 12971 1 19 . 1 1 817 817 SER N N 817 114.308 114.308 114.319 -0.011 25871 12972 1 19 . 1 1 817 817 SER HA H 817 4.209 4.209 4.073 0.136 25871 12973 1 19 . 1 1 817 817 SER CA C 817 60.410 60.410 60.730 -0.320 25871 12974 1 19 . 1 1 817 817 SER CB C 817 63.328 63.328 62.917 0.411 25871 12975 1 19 . 1 1 817 817 SER H H 817 8.100 8.100 7.820 0.280 25871 12976 1 19 . 1 1 818 818 ARG N N 818 121.459 121.459 119.081 2.378 25871 12977 1 19 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.277 -0.113 25871 12978 1 19 . 1 1 818 818 ARG CA C 818 57.468 57.468 57.777 -0.309 25871 12979 1 19 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.008 0.377 25871 12980 1 19 . 1 1 818 818 ARG H H 818 7.329 7.329 7.760 -0.431 25871 12981 1 19 . 1 1 819 819 GLU N N 819 119.944 119.944 119.605 0.339 25871 12982 1 19 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.343 -0.179 25871 12983 1 19 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.112 -0.644 25871 12984 1 19 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.965 0.561 25871 12985 1 19 . 1 1 819 819 GLU H H 819 8.059 8.059 8.391 -0.332 25871 12986 1 19 . 1 1 820 820 THR N N 820 112.658 112.658 114.430 -1.772 25871 12987 1 19 . 1 1 820 820 THR HA H 820 4.309 4.309 4.516 -0.207 25871 12988 1 19 . 1 1 820 820 THR CA C 820 62.191 62.191 61.711 0.481 25871 12989 1 19 . 1 1 820 820 THR CB C 820 69.877 69.877 68.648 1.229 25871 12990 1 19 . 1 1 820 820 THR H H 820 7.789 7.789 8.027 -0.238 25871 12991 1 19 . 1 1 821 821 ALA N N 821 126.145 126.145 122.598 3.547 25871 12992 1 19 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.278 0.054 25871 12993 1 19 . 1 1 821 821 ALA CA C 821 52.816 52.816 52.793 0.023 25871 12994 1 19 . 1 1 821 821 ALA CB C 821 19.459 19.459 18.830 0.629 25871 12995 1 19 . 1 1 821 821 ALA H H 821 8.003 8.003 7.660 0.343 25871 12996 1 19 . 1 1 822 822 ASP N N 822 120.003 120.003 116.893 3.110 25871 12997 1 19 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.834 -0.192 25871 12998 1 19 . 1 1 822 822 ASP CA C 822 54.439 54.439 53.304 1.135 25871 12999 1 19 . 1 1 822 822 ASP CB C 822 40.866 40.866 43.208 -2.342 25871 13000 1 19 . 1 1 822 822 ASP H H 822 8.330 8.330 7.290 1.040 25871 13001 1 19 . 1 1 823 823 THR N N 823 114.181 114.181 117.996 -3.815 25871 13002 1 19 . 1 1 823 823 THR HA H 823 4.304 4.304 4.585 -0.281 25871 13003 1 19 . 1 1 823 823 THR CA C 823 62.284 62.284 61.612 0.672 25871 13004 1 19 . 1 1 823 823 THR CB C 823 69.738 69.738 69.631 0.107 25871 13005 1 19 . 1 1 823 823 THR H H 823 8.093 8.093 8.367 -0.274 25871 13006 1 19 . 1 1 824 824 ASP N N 824 123.285 123.285 125.736 -2.451 25871 13007 1 19 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.585 0.066 25871 13008 1 19 . 1 1 824 824 ASP CA C 824 54.595 54.595 53.753 0.842 25871 13009 1 19 . 1 1 824 824 ASP CB C 824 41.145 41.145 42.715 -1.570 25871 13010 1 19 . 1 1 824 824 ASP H H 824 8.426 8.426 8.675 -0.249 25871 13011 1 19 . 1 1 825 825 THR N N 825 114.970 114.970 116.746 -1.776 25871 13012 1 19 . 1 1 825 825 THR HA H 825 4.313 4.313 4.087 0.226 25871 13013 1 19 . 1 1 825 825 THR CA C 825 62.329 62.329 64.901 -2.572 25871 13014 1 19 . 1 1 825 825 THR CB C 825 69.541 69.541 68.871 0.670 25871 13015 1 19 . 1 1 825 825 THR H H 825 8.157 8.157 8.300 -0.143 25871 13016 1 19 . 1 1 826 826 ALA N N 826 124.991 124.991 123.249 1.742 25871 13017 1 19 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.136 0.065 25871 13018 1 19 . 1 1 826 826 ALA CA C 826 54.473 54.473 55.097 -0.624 25871 13019 1 19 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.378 0.318 25871 13020 1 19 . 1 1 826 826 ALA H H 826 8.374 8.374 8.232 0.142 25871 13021 1 19 . 1 1 827 827 ASP N N 827 117.795 117.795 118.222 -0.427 25871 13022 1 19 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.387 0.075 25871 13023 1 19 . 1 1 827 827 ASP CA C 827 56.151 56.151 56.659 -0.508 25871 13024 1 19 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.623 0.306 25871 13025 1 19 . 1 1 827 827 ASP H H 827 8.255 8.255 8.633 -0.378 25871 13026 1 19 . 1 1 828 828 GLN N N 828 120.646 120.646 118.973 1.673 25871 13027 1 19 . 1 1 828 828 GLN HA H 828 4.121 4.121 4.017 0.104 25871 13028 1 19 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.839 -0.889 25871 13029 1 19 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.893 -0.307 25871 13030 1 19 . 1 1 828 828 GLN H H 828 8.086 8.086 7.436 0.650 25871 13031 1 19 . 1 1 829 829 VAL N N 829 120.933 120.933 119.712 1.221 25871 13032 1 19 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.679 -0.128 25871 13033 1 19 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.507 0.813 25871 13034 1 19 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.850 -0.100 25871 13035 1 19 . 1 1 829 829 VAL H H 829 8.048 8.048 7.391 0.657 25871 13036 1 19 . 1 1 830 830 MET N N 830 119.386 119.386 120.223 -0.837 25871 13037 1 19 . 1 1 830 830 MET HA H 830 4.030 4.030 4.541 -0.511 25871 13038 1 19 . 1 1 830 830 MET CA C 830 58.013 58.013 58.434 -0.420 25871 13039 1 19 . 1 1 830 830 MET CB C 830 32.110 32.110 32.555 -0.445 25871 13040 1 19 . 1 1 830 830 MET H H 830 8.088 8.088 8.166 -0.078 25871 13041 1 19 . 1 1 831 831 ALA N N 831 121.027 121.027 121.225 -0.198 25871 13042 1 19 . 1 1 831 831 ALA HA H 831 4.075 4.075 4.005 0.070 25871 13043 1 19 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.276 -0.657 25871 13044 1 19 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.064 0.062 25871 13045 1 19 . 1 1 831 831 ALA H H 831 7.829 7.829 8.319 -0.490 25871 13046 1 19 . 1 1 832 832 SER N N 832 114.314 114.314 114.860 -0.546 25871 13047 1 19 . 1 1 832 832 SER HA H 832 4.181 4.181 4.120 0.061 25871 13048 1 19 . 1 1 832 832 SER CA C 832 61.039 61.039 61.526 -0.487 25871 13049 1 19 . 1 1 832 832 SER CB C 832 62.671 62.671 62.651 0.020 25871 13050 1 19 . 1 1 832 832 SER H H 832 7.711 7.711 7.403 0.308 25871 13051 1 19 . 1 1 833 833 PHE N N 833 121.898 121.898 120.342 1.556 25871 13052 1 19 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.167 0.063 25871 13053 1 19 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.735 -1.301 25871 13054 1 19 . 1 1 833 833 PHE CB C 833 38.249 38.249 38.112 0.137 25871 13055 1 19 . 1 1 833 833 PHE H H 833 7.717 7.717 7.302 0.415 25871 13056 1 19 . 1 1 834 834 LYS N N 834 118.752 118.752 119.826 -1.074 25871 13057 1 19 . 1 1 834 834 LYS HA H 834 3.622 3.622 4.037 -0.415 25871 13058 1 19 . 1 1 834 834 LYS CA C 834 59.425 59.425 58.911 0.514 25871 13059 1 19 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.197 -0.013 25871 13060 1 19 . 1 1 834 834 LYS H H 834 7.844 7.844 8.098 -0.254 25871 13061 1 19 . 1 1 835 835 ILE N N 835 118.528 118.528 117.466 1.062 25871 13062 1 19 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.790 -0.020 25871 13063 1 19 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.184 -0.465 25871 13064 1 19 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.239 -0.333 25871 13065 1 19 . 1 1 835 835 ILE H H 835 7.311 7.311 7.294 0.017 25871 13066 1 19 . 1 1 836 836 LEU N N 836 121.176 121.176 116.012 5.164 25871 13067 1 19 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.343 -0.353 25871 13068 1 19 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.645 0.521 25871 13069 1 19 . 1 1 836 836 LEU CB C 836 42.496 42.496 42.094 0.402 25871 13070 1 19 . 1 1 836 836 LEU H H 836 7.617 7.617 7.133 0.484 25871 13071 1 19 . 1 1 837 837 ALA N N 837 119.189 119.189 119.136 0.053 25871 13072 1 19 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.473 -0.549 25871 13073 1 19 . 1 1 837 837 ALA CA C 837 53.417 53.417 51.001 2.416 25871 13074 1 19 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.416 0.976 25871 13075 1 19 . 1 1 837 837 ALA H H 837 8.092 8.092 8.393 -0.301 25871 13076 1 19 . 1 1 838 838 GLY N N 838 106.965 106.965 108.787 -1.822 25871 13077 1 19 . 1 1 838 838 GLY CA C 838 47.029 47.029 47.094 -0.065 25871 13078 1 19 . 1 1 838 838 GLY H H 838 7.667 7.667 8.014 -0.347 25871 13079 1 19 . 1 1 839 839 ASP N N 839 122.392 122.392 119.842 2.550 25871 13080 1 19 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.668 -0.151 25871 13081 1 19 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.188 -0.607 25871 13082 1 19 . 1 1 839 839 ASP CB C 839 40.584 40.584 40.947 -0.363 25871 13083 1 19 . 1 1 839 839 ASP H H 839 8.703 8.703 8.561 0.142 25871 13084 1 19 . 1 1 840 840 LYS N N 840 117.603 117.603 117.427 0.176 25871 13085 1 19 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.720 -0.388 25871 13086 1 19 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.558 1.409 25871 13087 1 19 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.391 -1.640 25871 13088 1 19 . 1 1 840 840 LYS H H 840 7.592 7.592 7.782 -0.190 25871 13089 1 19 . 1 1 841 841 ASN N N 841 116.654 116.654 117.137 -0.483 25871 13090 1 19 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.879 -0.237 25871 13091 1 19 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.114 0.582 25871 13092 1 19 . 1 1 841 841 ASN CB C 841 39.256 39.256 38.908 0.348 25871 13093 1 19 . 1 1 841 841 ASN H H 841 8.689 8.689 9.045 -0.356 25871 13094 1 19 . 1 1 842 842 TYR N N 842 112.231 112.231 113.458 -1.227 25871 13095 1 19 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.822 0.191 25871 13096 1 19 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.199 -2.066 25871 13097 1 19 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.286 1.342 25871 13098 1 19 . 1 1 842 842 TYR H H 842 6.638 6.638 7.282 -0.644 25871 13099 1 19 . 1 1 843 843 ILE N N 843 115.455 115.455 118.156 -2.701 25871 13100 1 19 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.247 0.553 25871 13101 1 19 . 1 1 843 843 ILE CA C 843 59.462 59.462 59.265 0.197 25871 13102 1 19 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.502 0.967 25871 13103 1 19 . 1 1 843 843 ILE H H 843 8.626 8.626 8.988 -0.362 25871 13104 1 19 . 1 1 844 844 THR N N 844 117.140 117.140 115.644 1.496 25871 13105 1 19 . 1 1 844 844 THR HA H 844 5.393 5.393 5.170 0.223 25871 13106 1 19 . 1 1 844 844 THR CA C 844 60.380 60.380 59.552 0.828 25871 13107 1 19 . 1 1 844 844 THR CB C 844 71.475 71.475 71.362 0.113 25871 13108 1 19 . 1 1 844 844 THR H H 844 9.329 9.329 7.953 1.376 25871 13109 1 19 . 1 1 845 845 MET N N 845 119.879 119.879 119.252 0.627 25871 13110 1 19 . 1 1 845 845 MET HA H 845 3.852 3.852 3.990 -0.138 25871 13111 1 19 . 1 1 845 845 MET CA C 845 60.389 60.389 60.759 -0.370 25871 13112 1 19 . 1 1 845 845 MET CB C 845 33.110 33.110 32.468 0.642 25871 13113 1 19 . 1 1 845 845 MET H H 845 8.555 8.555 8.783 -0.228 25871 13114 1 19 . 1 1 846 846 ASP N N 846 116.360 116.360 116.452 -0.092 25871 13115 1 19 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.416 -0.106 25871 13116 1 19 . 1 1 846 846 ASP CA C 846 57.489 57.489 56.903 0.586 25871 13117 1 19 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.131 0.541 25871 13118 1 19 . 1 1 846 846 ASP H H 846 8.375 8.375 8.607 -0.232 25871 13119 1 19 . 1 1 847 847 GLU N N 847 120.575 120.575 118.454 2.121 25871 13120 1 19 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.155 -0.269 25871 13121 1 19 . 1 1 847 847 GLU CA C 847 59.754 59.754 58.744 1.010 25871 13122 1 19 . 1 1 847 847 GLU CB C 847 29.757 29.757 30.094 -0.337 25871 13123 1 19 . 1 1 847 847 GLU H H 847 7.852 7.852 7.596 0.256 25871 13124 1 19 . 1 1 848 848 LEU N N 848 118.753 118.753 118.261 0.492 25871 13125 1 19 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.244 -0.384 25871 13126 1 19 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.053 0.630 25871 13127 1 19 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.321 1.203 25871 13128 1 19 . 1 1 848 848 LEU H H 848 7.834 7.834 8.084 -0.250 25871 13129 1 19 . 1 1 849 849 ARG N N 849 113.976 113.976 118.197 -4.221 25871 13130 1 19 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.086 -0.126 25871 13131 1 19 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.854 -0.258 25871 13132 1 19 . 1 1 849 849 ARG CB C 849 30.145 30.145 29.950 0.195 25871 13133 1 19 . 1 1 849 849 ARG H H 849 8.055 8.055 7.782 0.273 25871 13134 1 19 . 1 1 850 850 ARG N N 850 118.184 118.184 118.272 -0.088 25871 13135 1 19 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.214 0.017 25871 13136 1 19 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.563 -0.184 25871 13137 1 19 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.912 1.201 25871 13138 1 19 . 1 1 850 850 ARG H H 850 7.739 7.739 7.745 -0.006 25871 13139 1 19 . 1 1 851 851 GLU N N 851 115.550 115.550 119.142 -3.592 25871 13140 1 19 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.290 0.090 25871 13141 1 19 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.073 -1.079 25871 13142 1 19 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.793 0.892 25871 13143 1 19 . 1 1 851 851 GLU H H 851 7.591 7.591 7.713 -0.122 25871 13144 1 19 . 1 1 852 852 LEU N N 852 119.170 119.170 119.625 -0.455 25871 13145 1 19 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.862 0.063 25871 13146 1 19 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.394 -0.103 25871 13147 1 19 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.551 1.087 25871 13148 1 19 . 1 1 852 852 LEU H H 852 7.891 7.891 7.652 0.239 25871 13149 1 19 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.585 -0.280 25871 13150 1 19 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.348 4.054 25871 13151 1 19 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.330 -0.006 25871 13152 1 19 . 1 1 855 855 ASP N N 855 114.853 114.853 118.710 -3.857 25871 13153 1 19 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.339 0.040 25871 13154 1 19 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.154 -0.096 25871 13155 1 19 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.016 -0.777 25871 13156 1 19 . 1 1 855 855 ASP H H 855 8.796 8.796 8.639 0.157 25871 13157 1 19 . 1 1 856 856 GLN N N 856 121.513 121.513 118.509 3.004 25871 13158 1 19 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.998 0.242 25871 13159 1 19 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.584 -0.200 25871 13160 1 19 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.892 1.451 25871 13161 1 19 . 1 1 856 856 GLN H H 856 7.471 7.471 8.437 -0.966 25871 13162 1 19 . 1 1 857 857 ALA N N 857 122.821 122.821 121.896 0.925 25871 13163 1 19 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.019 -0.189 25871 13164 1 19 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.966 0.439 25871 13165 1 19 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.165 -0.181 25871 13166 1 19 . 1 1 857 857 ALA H H 857 8.889 8.889 8.236 0.653 25871 13167 1 19 . 1 1 858 858 GLU N N 858 114.091 114.091 119.355 -5.264 25871 13168 1 19 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.104 -0.048 25871 13169 1 19 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.244 -0.463 25871 13170 1 19 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.298 -0.631 25871 13171 1 19 . 1 1 858 858 GLU H H 858 8.143 8.143 7.746 0.397 25871 13172 1 19 . 1 1 859 859 TYR N N 859 120.670 120.670 119.024 1.646 25871 13173 1 19 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.288 -0.161 25871 13174 1 19 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.432 -0.284 25871 13175 1 19 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.837 0.901 25871 13176 1 19 . 1 1 859 859 TYR H H 859 7.708 7.708 8.724 -1.016 25871 13177 1 19 . 1 1 860 860 CYS N N 860 115.848 115.848 119.612 -3.764 25871 13178 1 19 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.048 0.140 25871 13179 1 19 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.165 0.273 25871 13180 1 19 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.397 0.068 25871 13181 1 19 . 1 1 860 860 CYS H H 860 8.119 8.119 8.002 0.117 25871 13182 1 19 . 1 1 861 861 ILE N N 861 120.124 120.124 120.939 -0.815 25871 13183 1 19 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.570 -0.206 25871 13184 1 19 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.785 -0.053 25871 13185 1 19 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.676 1.046 25871 13186 1 19 . 1 1 861 861 ILE H H 861 8.451 8.451 8.457 -0.006 25871 13187 1 19 . 1 1 862 862 ALA N N 862 116.691 116.691 120.050 -3.359 25871 13188 1 19 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.145 0.105 25871 13189 1 19 . 1 1 862 862 ALA CA C 862 53.428 53.428 54.070 -0.642 25871 13190 1 19 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.232 0.843 25871 13191 1 19 . 1 1 862 862 ALA H H 862 7.304 7.304 8.040 -0.736 25871 13192 1 19 . 1 1 863 863 ARG N N 863 117.259 117.259 115.610 1.649 25871 13193 1 19 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.078 0.214 25871 13194 1 19 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.619 0.820 25871 13195 1 19 . 1 1 863 863 ARG CB C 863 31.458 31.458 32.100 -0.642 25871 13196 1 19 . 1 1 863 863 ARG H H 863 7.357 7.357 7.670 -0.313 25871 13197 1 19 . 1 1 864 864 MET N N 864 117.570 117.570 120.723 -3.153 25871 13198 1 19 . 1 1 864 864 MET HA H 864 4.598 4.598 4.071 0.527 25871 13199 1 19 . 1 1 864 864 MET CA C 864 55.180 55.180 56.685 -1.505 25871 13200 1 19 . 1 1 864 864 MET CB C 864 37.428 37.428 33.741 3.687 25871 13201 1 19 . 1 1 864 864 MET H H 864 7.147 7.147 7.932 -0.785 25871 13202 1 19 . 1 1 865 865 ALA N N 865 124.616 124.616 127.518 -2.902 25871 13203 1 19 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.789 -0.856 25871 13204 1 19 . 1 1 865 865 ALA CA C 865 49.280 49.280 50.032 -0.752 25871 13205 1 19 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.438 0.211 25871 13206 1 19 . 1 1 865 865 ALA H H 865 8.548 8.548 8.499 0.049 25871 13207 1 19 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.493 0.026 25871 13208 1 19 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.488 0.333 25871 13209 1 19 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.258 -0.267 25871 13210 1 19 . 1 1 867 867 TYR N N 867 122.454 122.454 124.070 -1.616 25871 13211 1 19 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.626 -0.471 25871 13212 1 19 . 1 1 867 867 TYR CA C 867 56.951 56.951 58.042 -1.091 25871 13213 1 19 . 1 1 867 867 TYR CB C 867 43.347 43.347 41.048 2.299 25871 13214 1 19 . 1 1 867 867 TYR H H 867 8.127 8.127 8.180 -0.053 25871 13215 1 19 . 1 1 869 869 GLY N N 869 105.881 105.881 110.272 -4.391 25871 13216 1 19 . 1 1 869 869 GLY CA C 869 45.090 45.090 43.367 1.723 25871 13217 1 19 . 1 1 869 869 GLY H H 869 5.440 5.440 6.310 -0.870 25871 13218 1 19 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.359 0.002 25871 13219 1 19 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.570 0.271 25871 13220 1 19 . 1 1 870 870 PRO CB C 870 31.630 31.630 31.900 -0.270 25871 13221 1 19 . 1 1 871 871 ASP N N 871 116.217 116.217 119.296 -3.079 25871 13222 1 19 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.923 -0.287 25871 13223 1 19 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.785 -0.835 25871 13224 1 19 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.871 -1.721 25871 13225 1 19 . 1 1 871 871 ASP H H 871 9.263 9.263 8.096 1.167 25871 13226 1 19 . 1 1 872 872 SER N N 872 112.352 112.352 115.447 -3.095 25871 13227 1 19 . 1 1 872 872 SER HA H 872 3.530 3.530 4.324 -0.794 25871 13228 1 19 . 1 1 872 872 SER CA C 872 59.184 59.184 58.964 0.220 25871 13229 1 19 . 1 1 872 872 SER CB C 872 63.286 63.286 64.278 -0.992 25871 13230 1 19 . 1 1 872 872 SER H H 872 7.487 7.487 7.575 -0.088 25871 13231 1 19 . 1 1 873 873 VAL N N 873 113.588 113.588 113.833 -0.245 25871 13232 1 19 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.602 0.151 25871 13233 1 19 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.204 -0.136 25871 13234 1 19 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.365 -0.449 25871 13235 1 19 . 1 1 873 873 VAL H H 873 6.411 6.411 7.826 -1.415 25871 13236 1 19 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.461 -0.131 25871 13237 1 19 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.478 -0.168 25871 13238 1 19 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.927 -0.305 25871 13239 1 19 . 1 1 875 875 GLY N N 875 112.109 112.109 106.847 5.262 25871 13240 1 19 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.149 1.343 25871 13241 1 19 . 1 1 875 875 GLY H H 875 8.798 8.798 8.262 0.536 25871 13242 1 19 . 1 1 876 876 ALA N N 876 120.267 120.267 124.028 -3.761 25871 13243 1 19 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.337 -1.200 25871 13244 1 19 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.871 2.392 25871 13245 1 19 . 1 1 876 876 ALA CB C 876 20.554 20.554 20.999 -0.445 25871 13246 1 19 . 1 1 876 876 ALA H H 876 7.762 7.762 7.662 0.100 25871 13247 1 19 . 1 1 877 877 LEU N N 877 125.696 125.696 122.461 3.235 25871 13248 1 19 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.098 -0.294 25871 13249 1 19 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.960 0.332 25871 13250 1 19 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.858 -2.017 25871 13251 1 19 . 1 1 877 877 LEU H H 877 9.598 9.598 9.330 0.268 25871 13252 1 19 . 1 1 878 878 ASP N N 878 119.836 119.836 122.782 -2.946 25871 13253 1 19 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.030 -0.111 25871 13254 1 19 . 1 1 878 878 ASP CA C 878 52.130 52.130 53.196 -1.066 25871 13255 1 19 . 1 1 878 878 ASP CB C 878 40.798 40.798 42.456 -1.658 25871 13256 1 19 . 1 1 878 878 ASP H H 878 9.028 9.028 8.764 0.264 25871 13257 1 19 . 1 1 879 879 TYR N N 879 126.600 126.600 124.192 2.408 25871 13258 1 19 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.339 0.279 25871 13259 1 19 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.505 0.052 25871 13260 1 19 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.301 -0.777 25871 13261 1 19 . 1 1 879 879 TYR H H 879 7.454 7.454 8.257 -0.803 25871 13262 1 19 . 1 1 880 880 MET N N 880 119.910 119.910 118.993 0.917 25871 13263 1 19 . 1 1 880 880 MET HA H 880 4.619 4.619 3.811 0.808 25871 13264 1 19 . 1 1 880 880 MET CA C 880 56.205 56.205 56.314 -0.109 25871 13265 1 19 . 1 1 880 880 MET CB C 880 32.338 32.338 30.892 1.446 25871 13266 1 19 . 1 1 880 880 MET H H 880 7.620 7.620 7.446 0.174 25871 13267 1 19 . 1 1 881 881 SER N N 881 114.353 114.353 112.895 1.458 25871 13268 1 19 . 1 1 881 881 SER HA H 881 4.501 4.501 4.429 0.072 25871 13269 1 19 . 1 1 881 881 SER CA C 881 58.957 58.957 59.046 -0.089 25871 13270 1 19 . 1 1 881 881 SER CB C 881 64.284 64.284 63.436 0.848 25871 13271 1 19 . 1 1 881 881 SER H H 881 7.721 7.721 8.014 -0.293 25871 13272 1 19 . 1 1 882 882 PHE N N 882 122.746 122.746 124.538 -1.792 25871 13273 1 19 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.759 -0.010 25871 13274 1 19 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.094 -0.643 25871 13275 1 19 . 1 1 882 882 PHE CB C 882 40.296 40.296 39.068 1.228 25871 13276 1 19 . 1 1 882 882 PHE H H 882 7.386 7.386 7.914 -0.528 25871 13277 1 19 . 1 1 883 883 SER N N 883 120.214 120.214 114.221 5.993 25871 13278 1 19 . 1 1 883 883 SER HA H 883 4.338 4.338 3.866 0.472 25871 13279 1 19 . 1 1 883 883 SER CA C 883 57.455 57.455 60.864 -3.409 25871 13280 1 19 . 1 1 883 883 SER CB C 883 64.684 64.684 62.681 2.003 25871 13281 1 19 . 1 1 883 883 SER H H 883 7.464 7.464 8.466 -1.002 25871 13282 1 19 . 1 1 884 884 THR N N 884 110.671 110.671 113.780 -3.109 25871 13283 1 19 . 1 1 884 884 THR HA H 884 4.008 4.008 4.336 -0.328 25871 13284 1 19 . 1 1 884 884 THR CA C 884 63.367 63.367 61.536 1.831 25871 13285 1 19 . 1 1 884 884 THR CB C 884 69.088 69.088 70.049 -0.961 25871 13286 1 19 . 1 1 884 884 THR H H 884 7.993 7.993 7.600 0.393 25871 13287 1 19 . 1 1 885 885 ALA N N 885 125.453 125.453 124.158 1.295 25871 13288 1 19 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.708 -0.438 25871 13289 1 19 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.130 0.030 25871 13290 1 19 . 1 1 885 885 ALA CB C 885 19.310 19.310 20.929 -1.619 25871 13291 1 19 . 1 1 885 885 ALA H H 885 7.905 7.905 7.464 0.441 25871 13292 1 19 . 1 1 886 886 LEU N N 886 120.791 120.791 119.390 1.401 25871 13293 1 19 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.761 -1.714 25871 13294 1 19 . 1 1 886 886 LEU CA C 886 55.496 55.496 53.643 1.853 25871 13295 1 19 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.341 -3.002 25871 13296 1 19 . 1 1 886 886 LEU H H 886 8.087 8.087 8.164 -0.077 25871 13297 1 19 . 1 1 887 887 TYR N N 887 121.620 121.620 115.996 5.624 25871 13298 1 19 . 1 1 887 887 TYR HA H 887 4.403 4.403 5.001 -0.598 25871 13299 1 19 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.592 1.202 25871 13300 1 19 . 1 1 887 887 TYR CB C 887 38.621 38.621 38.912 -0.291 25871 13301 1 19 . 1 1 887 887 TYR H H 887 8.272 8.272 8.475 -0.203 25871 13302 1 19 . 1 1 888 888 GLY N N 888 112.443 112.443 109.039 3.404 25871 13303 1 19 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.295 0.900 25871 13304 1 19 . 1 1 888 888 GLY H H 888 8.087 8.087 7.509 0.578 25871 13305 1 19 . 1 1 889 889 GLU N N 889 120.272 120.272 120.180 0.092 25871 13306 1 19 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.550 -0.255 25871 13307 1 19 . 1 1 889 889 GLU CA C 889 56.593 56.593 56.336 0.257 25871 13308 1 19 . 1 1 889 889 GLU CB C 889 30.601 30.601 30.418 0.183 25871 13309 1 19 . 1 1 889 889 GLU H H 889 7.991 7.991 8.403 -0.412 25871 13310 1 19 . 1 1 890 890 SER N N 890 116.330 116.330 116.683 -0.353 25871 13311 1 19 . 1 1 890 890 SER HA H 890 4.452 4.452 4.587 -0.135 25871 13312 1 19 . 1 1 890 890 SER CA C 890 58.334 58.334 58.076 0.258 25871 13313 1 19 . 1 1 890 890 SER CB C 890 64.174 64.174 64.267 -0.093 25871 13314 1 19 . 1 1 890 890 SER H H 890 8.325 8.325 8.534 -0.209 25871 13315 1 19 . 1 1 891 891 ASP N N 891 122.987 122.987 118.597 4.390 25871 13316 1 19 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.836 -0.184 25871 13317 1 19 . 1 1 891 891 ASP CA C 891 54.534 54.534 53.844 0.690 25871 13318 1 19 . 1 1 891 891 ASP CB C 891 40.981 40.981 40.819 0.162 25871 13319 1 19 . 1 1 891 891 ASP H H 891 8.387 8.387 8.623 -0.236 25871 13320 1 20 . 1 1 743 743 ILE N N 743 122.085 122.085 127.253 -5.168 25871 13321 1 20 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.212 0.144 25871 13322 1 20 . 1 1 743 743 ILE CA C 743 60.624 60.624 61.505 -0.881 25871 13323 1 20 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.976 0.047 25871 13324 1 20 . 1 1 743 743 ILE H H 743 8.122 8.122 8.455 -0.333 25871 13325 1 20 . 1 1 744 744 SER N N 744 123.378 123.378 121.958 1.420 25871 13326 1 20 . 1 1 744 744 SER HA H 744 4.472 4.472 4.611 -0.139 25871 13327 1 20 . 1 1 744 744 SER CA C 744 57.581 57.581 57.551 0.030 25871 13328 1 20 . 1 1 744 744 SER CB C 744 65.276 65.276 64.712 0.564 25871 13329 1 20 . 1 1 744 744 SER H H 744 8.844 8.844 8.400 0.444 25871 13330 1 20 . 1 1 745 745 GLN N N 745 121.612 121.612 121.870 -0.258 25871 13331 1 20 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.093 -0.115 25871 13332 1 20 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.285 -0.398 25871 13333 1 20 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.395 0.131 25871 13334 1 20 . 1 1 745 745 GLN H H 745 9.035 9.035 8.934 0.101 25871 13335 1 20 . 1 1 746 746 GLU N N 746 118.618 118.618 117.412 1.206 25871 13336 1 20 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.132 -0.098 25871 13337 1 20 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.874 1.423 25871 13338 1 20 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.740 0.204 25871 13339 1 20 . 1 1 746 746 GLU H H 746 8.718 8.718 8.763 -0.045 25871 13340 1 20 . 1 1 747 747 GLN N N 747 120.436 120.436 119.883 0.553 25871 13341 1 20 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.211 -0.387 25871 13342 1 20 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.879 -0.375 25871 13343 1 20 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.099 -0.144 25871 13344 1 20 . 1 1 747 747 GLN H H 747 7.821 7.821 7.300 0.521 25871 13345 1 20 . 1 1 748 748 MET N N 748 119.174 119.174 117.669 1.505 25871 13346 1 20 . 1 1 748 748 MET HA H 748 4.228 4.228 4.502 -0.274 25871 13347 1 20 . 1 1 748 748 MET CA C 748 58.305 58.305 59.280 -0.975 25871 13348 1 20 . 1 1 748 748 MET CB C 748 30.922 30.922 32.218 -1.296 25871 13349 1 20 . 1 1 748 748 MET H H 748 8.477 8.477 8.279 0.198 25871 13350 1 20 . 1 1 749 749 ASN N N 749 117.610 117.610 119.556 -1.946 25871 13351 1 20 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.439 0.066 25871 13352 1 20 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.829 -0.867 25871 13353 1 20 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.391 -0.486 25871 13354 1 20 . 1 1 749 749 ASN H H 749 8.302 8.302 7.999 0.303 25871 13355 1 20 . 1 1 750 750 GLU N N 750 122.737 122.737 120.259 2.478 25871 13356 1 20 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.084 0.162 25871 13357 1 20 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.690 0.835 25871 13358 1 20 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.049 0.360 25871 13359 1 20 . 1 1 750 750 GLU H H 750 7.789 7.789 7.840 -0.051 25871 13360 1 20 . 1 1 751 751 PHE N N 751 120.358 120.358 121.701 -1.343 25871 13361 1 20 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.334 0.644 25871 13362 1 20 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.304 -3.661 25871 13363 1 20 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.830 -1.352 25871 13364 1 20 . 1 1 751 751 PHE H H 751 8.772 8.772 8.507 0.265 25871 13365 1 20 . 1 1 752 752 ARG N N 752 120.173 120.173 119.547 0.626 25871 13366 1 20 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.349 -0.202 25871 13367 1 20 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.933 -3.132 25871 13368 1 20 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.146 0.216 25871 13369 1 20 . 1 1 752 752 ARG H H 752 8.990 8.990 8.725 0.265 25871 13370 1 20 . 1 1 753 753 ALA N N 753 120.965 120.965 121.911 -0.946 25871 13371 1 20 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.220 0.035 25871 13372 1 20 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.154 0.271 25871 13373 1 20 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.230 -0.218 25871 13374 1 20 . 1 1 753 753 ALA H H 753 8.136 8.136 8.567 -0.431 25871 13375 1 20 . 1 1 754 754 SER N N 754 115.350 115.350 115.755 -0.405 25871 13376 1 20 . 1 1 754 754 SER HA H 754 4.451 4.451 4.332 0.119 25871 13377 1 20 . 1 1 754 754 SER CA C 754 63.045 63.045 62.761 0.284 25871 13378 1 20 . 1 1 754 754 SER CB C 754 63.111 63.111 63.328 -0.217 25871 13379 1 20 . 1 1 754 754 SER H H 754 8.366 8.366 8.522 -0.156 25871 13380 1 20 . 1 1 755 755 PHE N N 755 121.902 121.902 122.998 -1.096 25871 13381 1 20 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.330 -0.344 25871 13382 1 20 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.286 2.067 25871 13383 1 20 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.212 0.954 25871 13384 1 20 . 1 1 755 755 PHE H H 755 8.498 8.498 8.444 0.054 25871 13385 1 20 . 1 1 756 756 ASN N N 756 114.071 114.071 117.834 -3.763 25871 13386 1 20 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.785 0.745 25871 13387 1 20 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.401 0.403 25871 13388 1 20 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.578 -0.645 25871 13389 1 20 . 1 1 756 756 ASN H H 756 8.722 8.722 8.313 0.409 25871 13390 1 20 . 1 1 757 757 HIS N N 757 119.524 119.524 118.963 0.561 25871 13391 1 20 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.291 -0.169 25871 13392 1 20 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.920 -0.451 25871 13393 1 20 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.136 -0.089 25871 13394 1 20 . 1 1 757 757 HIS H H 757 8.027 8.027 8.056 -0.029 25871 13395 1 20 . 1 1 758 758 PHE N N 758 113.439 113.439 117.391 -3.952 25871 13396 1 20 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.518 -0.411 25871 13397 1 20 . 1 1 758 758 PHE CA C 758 60.068 60.068 60.016 0.052 25871 13398 1 20 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.674 0.314 25871 13399 1 20 . 1 1 758 758 PHE H H 758 7.322 7.322 8.264 -0.942 25871 13400 1 20 . 1 1 759 759 ASP N N 759 121.632 121.632 119.688 1.944 25871 13401 1 20 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.731 -0.115 25871 13402 1 20 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.457 0.151 25871 13403 1 20 . 1 1 759 759 ASP CB C 759 38.681 38.681 38.939 -0.258 25871 13404 1 20 . 1 1 759 759 ASP H H 759 7.439 7.439 8.489 -1.050 25871 13405 1 20 . 1 1 760 760 ARG N N 760 123.429 123.429 121.736 1.693 25871 13406 1 20 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.835 -0.010 25871 13407 1 20 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.552 1.079 25871 13408 1 20 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.092 -0.019 25871 13409 1 20 . 1 1 760 760 ARG H H 760 7.797 7.797 7.763 0.034 25871 13410 1 20 . 1 1 761 761 ASP N N 761 115.027 115.027 117.260 -2.233 25871 13411 1 20 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.562 -0.081 25871 13412 1 20 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.640 -1.162 25871 13413 1 20 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.132 -1.632 25871 13414 1 20 . 1 1 761 761 ASP H H 761 8.470 8.470 7.817 0.653 25871 13415 1 20 . 1 1 762 762 HIS N N 762 117.442 117.442 116.068 1.374 25871 13416 1 20 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.408 -0.171 25871 13417 1 20 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.757 -0.264 25871 13418 1 20 . 1 1 762 762 HIS CB C 762 26.581 26.581 26.998 -0.417 25871 13419 1 20 . 1 1 762 762 HIS H H 762 7.716 7.716 7.603 0.113 25871 13420 1 20 . 1 1 763 763 SER N N 763 117.624 117.624 115.215 2.409 25871 13421 1 20 . 1 1 763 763 SER HA H 763 4.441 4.441 4.416 0.025 25871 13422 1 20 . 1 1 763 763 SER CA C 763 59.706 59.706 60.209 -0.503 25871 13423 1 20 . 1 1 763 763 SER CB C 763 65.228 65.228 64.304 0.924 25871 13424 1 20 . 1 1 763 763 SER H H 763 9.708 9.708 8.456 1.252 25871 13425 1 20 . 1 1 764 764 GLY N N 764 117.320 117.320 109.336 7.984 25871 13426 1 20 . 1 1 764 764 GLY CA C 764 45.759 45.759 46.001 -0.242 25871 13427 1 20 . 1 1 764 764 GLY H H 764 11.185 11.185 9.222 1.963 25871 13428 1 20 . 1 1 765 765 THR N N 765 110.392 110.392 110.535 -0.143 25871 13429 1 20 . 1 1 765 765 THR HA H 765 5.197 5.197 5.227 -0.030 25871 13430 1 20 . 1 1 765 765 THR CA C 765 59.125 59.125 60.636 -1.511 25871 13431 1 20 . 1 1 765 765 THR CB C 765 73.022 73.022 72.132 0.890 25871 13432 1 20 . 1 1 765 765 THR H H 765 7.972 7.972 7.393 0.579 25871 13433 1 20 . 1 1 766 766 LEU N N 766 117.658 117.658 119.706 -2.048 25871 13434 1 20 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.686 0.138 25871 13435 1 20 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.204 -0.452 25871 13436 1 20 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.806 -1.593 25871 13437 1 20 . 1 1 766 766 LEU H H 766 8.589 8.589 8.432 0.157 25871 13438 1 20 . 1 1 767 767 GLY N N 767 108.644 108.644 107.229 1.415 25871 13439 1 20 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.465 0.471 25871 13440 1 20 . 1 1 767 767 GLY H H 767 8.601 8.601 9.183 -0.582 25871 13441 1 20 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.422 -0.141 25871 13442 1 20 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.618 1.255 25871 13443 1 20 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.205 -0.014 25871 13444 1 20 . 1 1 769 769 GLU N N 769 115.170 115.170 119.822 -4.652 25871 13445 1 20 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.862 0.070 25871 13446 1 20 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.651 0.122 25871 13447 1 20 . 1 1 769 769 GLU CB C 769 28.828 28.828 28.855 -0.027 25871 13448 1 20 . 1 1 769 769 GLU H H 769 8.649 8.649 9.001 -0.352 25871 13449 1 20 . 1 1 770 770 GLU N N 770 121.294 121.294 120.501 0.793 25871 13450 1 20 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.223 -0.110 25871 13451 1 20 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.456 0.162 25871 13452 1 20 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.625 0.678 25871 13453 1 20 . 1 1 770 770 GLU H H 770 7.846 7.846 8.090 -0.244 25871 13454 1 20 . 1 1 771 771 PHE N N 771 119.292 119.292 118.937 0.355 25871 13455 1 20 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.094 0.148 25871 13456 1 20 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.919 -0.815 25871 13457 1 20 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.861 -0.135 25871 13458 1 20 . 1 1 771 771 PHE H H 771 8.876 8.876 8.564 0.312 25871 13459 1 20 . 1 1 772 772 LYS N N 772 120.139 120.139 120.325 -0.186 25871 13460 1 20 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.926 -0.750 25871 13461 1 20 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.556 0.929 25871 13462 1 20 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.290 -0.606 25871 13463 1 20 . 1 1 772 772 LYS H H 772 8.404 8.404 7.871 0.533 25871 13464 1 20 . 1 1 773 773 ALA N N 773 118.856 118.856 121.543 -2.687 25871 13465 1 20 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.133 -0.341 25871 13466 1 20 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.328 0.638 25871 13467 1 20 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.301 -0.355 25871 13468 1 20 . 1 1 773 773 ALA H H 773 7.180 7.180 7.889 -0.709 25871 13469 1 20 . 1 1 774 774 CYS N N 774 121.600 121.600 116.945 4.655 25871 13470 1 20 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.713 0.473 25871 13471 1 20 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.804 -0.225 25871 13472 1 20 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.523 -0.493 25871 13473 1 20 . 1 1 774 774 CYS H H 774 7.731 7.731 7.603 0.128 25871 13474 1 20 . 1 1 775 775 LEU N N 775 120.029 120.029 119.709 0.320 25871 13475 1 20 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.596 0.243 25871 13476 1 20 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.520 0.829 25871 13477 1 20 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.005 -0.477 25871 13478 1 20 . 1 1 775 775 LEU H H 775 8.353 8.353 6.978 1.375 25871 13479 1 20 . 1 1 776 776 ILE N N 776 121.900 121.900 117.604 4.296 25871 13480 1 20 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.180 0.049 25871 13481 1 20 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.349 1.174 25871 13482 1 20 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.342 0.919 25871 13483 1 20 . 1 1 776 776 ILE H H 776 8.405 8.405 8.010 0.395 25871 13484 1 20 . 1 1 777 777 SER N N 777 119.490 119.490 116.537 2.953 25871 13485 1 20 . 1 1 777 777 SER HA H 777 4.435 4.435 4.288 0.147 25871 13486 1 20 . 1 1 777 777 SER CA C 777 61.843 61.843 61.256 0.587 25871 13487 1 20 . 1 1 777 777 SER CB C 777 62.953 62.953 62.980 -0.027 25871 13488 1 20 . 1 1 777 777 SER H H 777 8.144 8.144 7.808 0.336 25871 13489 1 20 . 1 1 778 778 LEU N N 778 122.142 122.142 119.602 2.540 25871 13490 1 20 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.516 0.126 25871 13491 1 20 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.327 -0.250 25871 13492 1 20 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.790 -0.170 25871 13493 1 20 . 1 1 778 778 LEU H H 778 7.644 7.644 7.745 -0.102 25871 13494 1 20 . 1 1 779 779 GLY N N 779 106.613 106.613 105.398 1.215 25871 13495 1 20 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.530 0.620 25871 13496 1 20 . 1 1 779 779 GLY H H 779 7.982 7.982 7.605 0.377 25871 13497 1 20 . 1 1 780 780 TYR N N 780 121.620 121.620 119.291 2.329 25871 13498 1 20 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.535 -0.370 25871 13499 1 20 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.584 1.789 25871 13500 1 20 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.585 -1.191 25871 13501 1 20 . 1 1 780 780 TYR H H 780 8.174 8.174 7.737 0.437 25871 13502 1 20 . 1 1 781 781 ASP N N 781 124.225 124.225 121.931 2.294 25871 13503 1 20 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.752 -0.063 25871 13504 1 20 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.498 0.067 25871 13505 1 20 . 1 1 781 781 ASP CB C 781 40.115 40.115 40.716 -0.601 25871 13506 1 20 . 1 1 781 781 ASP H H 781 8.650 8.650 8.799 -0.149 25871 13507 1 20 . 1 1 782 782 ILE N N 782 123.492 123.492 120.607 2.885 25871 13508 1 20 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.277 -0.028 25871 13509 1 20 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.814 -1.324 25871 13510 1 20 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.281 1.144 25871 13511 1 20 . 1 1 782 782 ILE H H 782 7.300 7.300 7.886 -0.586 25871 13512 1 20 . 1 1 783 783 GLY N N 783 113.404 113.404 113.139 0.265 25871 13513 1 20 . 1 1 783 783 GLY CA C 783 44.630 44.630 45.499 -0.869 25871 13514 1 20 . 1 1 783 783 GLY H H 783 8.345 8.345 7.595 0.750 25871 13515 1 20 . 1 1 784 784 ASN N N 784 119.115 119.115 117.864 1.251 25871 13516 1 20 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.727 0.201 25871 13517 1 20 . 1 1 784 784 ASN CA C 784 52.055 52.055 52.518 -0.463 25871 13518 1 20 . 1 1 784 784 ASN CB C 784 37.467 37.467 37.967 -0.500 25871 13519 1 20 . 1 1 784 784 ASN H H 784 8.476 8.476 8.582 -0.106 25871 13520 1 20 . 1 1 785 785 ASP N N 785 119.675 119.675 120.482 -0.807 25871 13521 1 20 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.970 -0.150 25871 13522 1 20 . 1 1 785 785 ASP CA C 785 52.365 52.365 52.146 0.219 25871 13523 1 20 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.297 -1.561 25871 13524 1 20 . 1 1 785 785 ASP H H 785 8.081 8.081 7.706 0.375 25871 13525 1 20 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.251 0.055 25871 13526 1 20 . 1 1 786 786 PRO CA C 786 66.213 66.213 64.937 1.276 25871 13527 1 20 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.207 -0.227 25871 13528 1 20 . 1 1 787 787 GLN N N 787 118.154 118.154 119.361 -1.207 25871 13529 1 20 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.206 -0.028 25871 13530 1 20 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.843 0.590 25871 13531 1 20 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.078 0.590 25871 13532 1 20 . 1 1 787 787 GLN H H 787 8.413 8.413 8.468 -0.055 25871 13533 1 20 . 1 1 788 788 GLY N N 788 113.343 113.343 109.518 3.825 25871 13534 1 20 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.652 0.799 25871 13535 1 20 . 1 1 788 788 GLY H H 788 8.644 8.644 8.568 0.076 25871 13536 1 20 . 1 1 789 789 GLU N N 789 121.232 121.232 122.256 -1.024 25871 13537 1 20 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.077 0.084 25871 13538 1 20 . 1 1 789 789 GLU CA C 789 59.433 59.433 60.008 -0.575 25871 13539 1 20 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.595 0.046 25871 13540 1 20 . 1 1 789 789 GLU H H 789 8.539 8.539 8.618 -0.079 25871 13541 1 20 . 1 1 790 790 ALA N N 790 122.805 122.805 120.881 1.924 25871 13542 1 20 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.145 0.128 25871 13543 1 20 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.027 -0.079 25871 13544 1 20 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.437 -0.536 25871 13545 1 20 . 1 1 790 790 ALA H H 790 8.035 8.035 7.597 0.438 25871 13546 1 20 . 1 1 791 791 GLU N N 791 122.504 122.504 116.816 5.688 25871 13547 1 20 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.203 0.546 25871 13548 1 20 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.541 0.926 25871 13549 1 20 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.988 -1.409 25871 13550 1 20 . 1 1 791 791 GLU H H 791 8.309 8.309 7.673 0.636 25871 13551 1 20 . 1 1 792 792 PHE N N 792 119.966 119.966 122.513 -2.547 25871 13552 1 20 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.166 0.032 25871 13553 1 20 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.828 0.791 25871 13554 1 20 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.012 -0.547 25871 13555 1 20 . 1 1 792 792 PHE H H 792 8.835 8.835 8.570 0.265 25871 13556 1 20 . 1 1 793 793 ALA N N 793 119.978 119.978 121.391 -1.413 25871 13557 1 20 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.658 0.248 25871 13558 1 20 . 1 1 793 793 ALA CA C 793 55.020 55.020 54.790 0.230 25871 13559 1 20 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.144 -0.508 25871 13560 1 20 . 1 1 793 793 ALA H H 793 8.147 8.147 8.441 -0.294 25871 13561 1 20 . 1 1 794 794 ARG N N 794 121.286 121.286 117.522 3.764 25871 13562 1 20 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.111 -0.174 25871 13563 1 20 . 1 1 794 794 ARG CA C 794 59.636 59.636 57.570 2.066 25871 13564 1 20 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.868 0.389 25871 13565 1 20 . 1 1 794 794 ARG H H 794 7.953 7.953 7.401 0.552 25871 13566 1 20 . 1 1 795 795 ILE N N 795 121.594 121.594 121.145 0.449 25871 13567 1 20 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.434 -0.123 25871 13568 1 20 . 1 1 795 795 ILE CA C 795 66.176 66.176 65.046 1.131 25871 13569 1 20 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.711 0.623 25871 13570 1 20 . 1 1 795 795 ILE H H 795 8.091 8.091 7.685 0.406 25871 13571 1 20 . 1 1 796 796 MET N N 796 118.593 118.593 117.445 1.148 25871 13572 1 20 . 1 1 796 796 MET HA H 796 4.266 4.266 4.070 0.196 25871 13573 1 20 . 1 1 796 796 MET CA C 796 56.204 56.204 59.130 -2.925 25871 13574 1 20 . 1 1 796 796 MET CB C 796 29.453 29.453 31.826 -2.373 25871 13575 1 20 . 1 1 796 796 MET H H 796 8.543 8.543 8.145 0.398 25871 13576 1 20 . 1 1 797 797 SER N N 797 114.792 114.792 114.357 0.435 25871 13577 1 20 . 1 1 797 797 SER HA H 797 4.131 4.131 4.251 -0.120 25871 13578 1 20 . 1 1 797 797 SER CA C 797 61.233 61.233 61.541 -0.308 25871 13579 1 20 . 1 1 797 797 SER CB C 797 63.017 63.017 62.909 0.108 25871 13580 1 20 . 1 1 797 797 SER H H 797 7.740 7.740 7.385 0.355 25871 13581 1 20 . 1 1 798 798 ILE N N 798 121.041 121.041 120.383 0.658 25871 13582 1 20 . 1 1 798 798 ILE HA H 798 3.869 3.869 3.964 -0.095 25871 13583 1 20 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.834 0.105 25871 13584 1 20 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.922 -0.031 25871 13585 1 20 . 1 1 798 798 ILE H H 798 7.352 7.352 7.563 -0.211 25871 13586 1 20 . 1 1 799 799 VAL N N 799 110.418 110.418 111.871 -1.453 25871 13587 1 20 . 1 1 799 799 VAL HA H 799 4.211 4.211 3.993 0.218 25871 13588 1 20 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.559 -0.375 25871 13589 1 20 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.511 -0.102 25871 13590 1 20 . 1 1 799 799 VAL H H 799 7.806 7.806 7.815 -0.009 25871 13591 1 20 . 1 1 800 800 ASP N N 800 119.703 119.703 118.730 0.973 25871 13592 1 20 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.017 0.240 25871 13593 1 20 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.792 -0.057 25871 13594 1 20 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.425 -0.091 25871 13595 1 20 . 1 1 800 800 ASP H H 800 8.124 8.124 7.541 0.583 25871 13596 1 20 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.583 -0.223 25871 13597 1 20 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.103 0.932 25871 13598 1 20 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.398 -0.501 25871 13599 1 20 . 1 1 802 802 ASN N N 802 115.156 115.156 117.416 -2.260 25871 13600 1 20 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.656 0.123 25871 13601 1 20 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.212 0.016 25871 13602 1 20 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.457 -0.243 25871 13603 1 20 . 1 1 802 802 ASN H H 802 8.967 8.967 7.848 1.119 25871 13604 1 20 . 1 1 803 803 ARG N N 803 117.568 117.568 116.656 0.912 25871 13605 1 20 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.107 -0.258 25871 13606 1 20 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.586 0.390 25871 13607 1 20 . 1 1 803 803 ARG CB C 803 26.440 26.440 27.160 -0.720 25871 13608 1 20 . 1 1 803 803 ARG H H 803 8.013 8.013 7.955 0.058 25871 13609 1 20 . 1 1 804 804 LEU N N 804 122.899 122.899 119.954 2.945 25871 13610 1 20 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.157 0.055 25871 13611 1 20 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.859 0.302 25871 13612 1 20 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.411 0.477 25871 13613 1 20 . 1 1 804 804 LEU H H 804 10.338 10.338 8.761 1.577 25871 13614 1 20 . 1 1 805 805 GLY N N 805 110.909 110.909 106.679 4.230 25871 13615 1 20 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.416 -0.135 25871 13616 1 20 . 1 1 805 805 GLY H H 805 10.955 10.955 9.065 1.890 25871 13617 1 20 . 1 1 806 806 VAL N N 806 111.683 111.683 114.275 -2.592 25871 13618 1 20 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.163 -0.580 25871 13619 1 20 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.991 -0.576 25871 13620 1 20 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.564 0.739 25871 13621 1 20 . 1 1 806 806 VAL H H 806 6.806 6.806 7.497 -0.691 25871 13622 1 20 . 1 1 807 807 VAL N N 807 123.649 123.649 121.005 2.644 25871 13623 1 20 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.415 -0.229 25871 13624 1 20 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.430 1.250 25871 13625 1 20 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.650 -2.747 25871 13626 1 20 . 1 1 807 807 VAL H H 807 9.156 9.156 8.849 0.307 25871 13627 1 20 . 1 1 808 808 THR N N 808 116.404 116.404 118.907 -2.503 25871 13628 1 20 . 1 1 808 808 THR HA H 808 4.782 4.782 4.779 0.003 25871 13629 1 20 . 1 1 808 808 THR CA C 808 62.526 62.526 59.897 2.629 25871 13630 1 20 . 1 1 808 808 THR CB C 808 69.707 69.707 71.180 -1.474 25871 13631 1 20 . 1 1 808 808 THR H H 808 7.948 7.948 8.152 -0.204 25871 13632 1 20 . 1 1 809 809 PHE N N 809 121.514 121.514 124.007 -2.493 25871 13633 1 20 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.412 -0.910 25871 13634 1 20 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.445 -0.667 25871 13635 1 20 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.811 -0.376 25871 13636 1 20 . 1 1 809 809 PHE H H 809 8.528 8.528 8.305 0.223 25871 13637 1 20 . 1 1 810 810 GLN N N 810 116.869 116.869 118.323 -1.454 25871 13638 1 20 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.678 -0.057 25871 13639 1 20 . 1 1 810 810 GLN CA C 810 58.548 58.548 58.045 0.503 25871 13640 1 20 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.953 0.444 25871 13641 1 20 . 1 1 810 810 GLN H H 810 8.638 8.638 8.289 0.349 25871 13642 1 20 . 1 1 811 811 ALA N N 811 121.318 121.318 122.621 -1.303 25871 13643 1 20 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.993 0.155 25871 13644 1 20 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.581 0.508 25871 13645 1 20 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.602 0.638 25871 13646 1 20 . 1 1 811 811 ALA H H 811 7.795 7.795 7.504 0.291 25871 13647 1 20 . 1 1 812 812 PHE N N 812 119.498 119.498 116.397 3.101 25871 13648 1 20 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.898 0.279 25871 13649 1 20 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.333 1.164 25871 13650 1 20 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.675 0.351 25871 13651 1 20 . 1 1 812 812 PHE H H 812 8.093 8.093 7.661 0.432 25871 13652 1 20 . 1 1 813 813 ILE N N 813 119.554 119.554 118.561 0.993 25871 13653 1 20 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.604 0.541 25871 13654 1 20 . 1 1 813 813 ILE CA C 813 62.176 62.176 63.231 -1.055 25871 13655 1 20 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.407 0.383 25871 13656 1 20 . 1 1 813 813 ILE H H 813 8.316 8.316 6.500 1.816 25871 13657 1 20 . 1 1 814 814 ASP N N 814 123.772 123.772 120.172 3.600 25871 13658 1 20 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.186 0.054 25871 13659 1 20 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.658 0.245 25871 13660 1 20 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.761 -0.520 25871 13661 1 20 . 1 1 814 814 ASP H H 814 8.434 8.434 7.303 1.131 25871 13662 1 20 . 1 1 815 815 PHE N N 815 121.079 121.079 115.770 5.309 25871 13663 1 20 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.471 -0.298 25871 13664 1 20 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.889 2.236 25871 13665 1 20 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.362 0.930 25871 13666 1 20 . 1 1 815 815 PHE H H 815 7.904 7.904 6.981 0.923 25871 13667 1 20 . 1 1 816 816 MET N N 816 117.231 117.231 121.017 -3.786 25871 13668 1 20 . 1 1 816 816 MET HA H 816 3.864 3.864 4.257 -0.393 25871 13669 1 20 . 1 1 816 816 MET CA C 816 55.934 55.934 57.602 -1.668 25871 13670 1 20 . 1 1 816 816 MET CB C 816 30.451 30.451 31.242 -0.791 25871 13671 1 20 . 1 1 816 816 MET H H 816 8.270 8.270 7.403 0.867 25871 13672 1 20 . 1 1 817 817 SER N N 817 114.308 114.308 115.042 -0.734 25871 13673 1 20 . 1 1 817 817 SER HA H 817 4.209 4.209 4.163 0.046 25871 13674 1 20 . 1 1 817 817 SER CA C 817 60.410 60.410 60.888 -0.478 25871 13675 1 20 . 1 1 817 817 SER CB C 817 63.328 63.328 62.883 0.445 25871 13676 1 20 . 1 1 817 817 SER H H 817 8.100 8.100 8.048 0.052 25871 13677 1 20 . 1 1 818 818 ARG N N 818 121.459 121.459 118.991 2.468 25871 13678 1 20 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.175 -0.011 25871 13679 1 20 . 1 1 818 818 ARG CA C 818 57.468 57.468 58.688 -1.220 25871 13680 1 20 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.499 -0.114 25871 13681 1 20 . 1 1 818 818 ARG H H 818 7.329 7.329 7.464 -0.135 25871 13682 1 20 . 1 1 819 819 GLU N N 819 119.944 119.944 119.280 0.664 25871 13683 1 20 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.276 -0.112 25871 13684 1 20 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.578 -1.110 25871 13685 1 20 . 1 1 819 819 GLU CB C 819 30.526 30.526 28.933 1.593 25871 13686 1 20 . 1 1 819 819 GLU H H 819 8.059 8.059 8.051 0.008 25871 13687 1 20 . 1 1 820 820 THR N N 820 112.658 112.658 113.945 -1.287 25871 13688 1 20 . 1 1 820 820 THR HA H 820 4.309 4.309 4.225 0.084 25871 13689 1 20 . 1 1 820 820 THR CA C 820 62.191 62.191 62.828 -0.637 25871 13690 1 20 . 1 1 820 820 THR CB C 820 69.877 69.877 68.418 1.459 25871 13691 1 20 . 1 1 820 820 THR H H 820 7.789 7.789 7.681 0.108 25871 13692 1 20 . 1 1 821 821 ALA N N 821 126.145 126.145 120.896 5.249 25871 13693 1 20 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.257 0.075 25871 13694 1 20 . 1 1 821 821 ALA CA C 821 52.816 52.816 53.559 -0.743 25871 13695 1 20 . 1 1 821 821 ALA CB C 821 19.459 19.459 18.840 0.619 25871 13696 1 20 . 1 1 821 821 ALA H H 821 8.003 8.003 8.127 -0.124 25871 13697 1 20 . 1 1 822 822 ASP N N 822 120.003 120.003 119.022 0.981 25871 13698 1 20 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.512 0.130 25871 13699 1 20 . 1 1 822 822 ASP CA C 822 54.439 54.439 56.453 -2.014 25871 13700 1 20 . 1 1 822 822 ASP CB C 822 40.866 40.866 40.236 0.630 25871 13701 1 20 . 1 1 822 822 ASP H H 822 8.330 8.330 7.897 0.433 25871 13702 1 20 . 1 1 823 823 THR N N 823 114.181 114.181 108.599 5.582 25871 13703 1 20 . 1 1 823 823 THR HA H 823 4.304 4.304 4.507 -0.203 25871 13704 1 20 . 1 1 823 823 THR CA C 823 62.284 62.284 60.482 1.802 25871 13705 1 20 . 1 1 823 823 THR CB C 823 69.738 69.738 69.956 -0.218 25871 13706 1 20 . 1 1 823 823 THR H H 823 8.093 8.093 7.250 0.843 25871 13707 1 20 . 1 1 824 824 ASP N N 824 123.285 123.285 123.262 0.023 25871 13708 1 20 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.746 -0.095 25871 13709 1 20 . 1 1 824 824 ASP CA C 824 54.595 54.595 54.363 0.232 25871 13710 1 20 . 1 1 824 824 ASP CB C 824 41.145 41.145 42.456 -1.311 25871 13711 1 20 . 1 1 824 824 ASP H H 824 8.426 8.426 7.756 0.670 25871 13712 1 20 . 1 1 825 825 THR N N 825 114.970 114.970 110.068 4.902 25871 13713 1 20 . 1 1 825 825 THR HA H 825 4.313 4.313 4.550 -0.237 25871 13714 1 20 . 1 1 825 825 THR CA C 825 62.329 62.329 60.907 1.422 25871 13715 1 20 . 1 1 825 825 THR CB C 825 69.541 69.541 71.541 -2.001 25871 13716 1 20 . 1 1 825 825 THR H H 825 8.157 8.157 8.093 0.064 25871 13717 1 20 . 1 1 826 826 ALA N N 826 124.991 124.991 124.972 0.019 25871 13718 1 20 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.079 0.122 25871 13719 1 20 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.152 0.321 25871 13720 1 20 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.463 0.233 25871 13721 1 20 . 1 1 826 826 ALA H H 826 8.374 8.374 8.800 -0.426 25871 13722 1 20 . 1 1 827 827 ASP N N 827 117.795 117.795 119.078 -1.283 25871 13723 1 20 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.329 0.133 25871 13724 1 20 . 1 1 827 827 ASP CA C 827 56.151 56.151 56.694 -0.543 25871 13725 1 20 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.710 0.219 25871 13726 1 20 . 1 1 827 827 ASP H H 827 8.255 8.255 8.829 -0.574 25871 13727 1 20 . 1 1 828 828 GLN N N 828 120.646 120.646 118.346 2.300 25871 13728 1 20 . 1 1 828 828 GLN HA H 828 4.121 4.121 4.034 0.087 25871 13729 1 20 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.390 -0.440 25871 13730 1 20 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.180 0.406 25871 13731 1 20 . 1 1 828 828 GLN H H 828 8.086 8.086 7.630 0.456 25871 13732 1 20 . 1 1 829 829 VAL N N 829 120.933 120.933 119.599 1.334 25871 13733 1 20 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.664 -0.113 25871 13734 1 20 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.622 0.699 25871 13735 1 20 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.822 -0.072 25871 13736 1 20 . 1 1 829 829 VAL H H 829 8.048 8.048 8.101 -0.053 25871 13737 1 20 . 1 1 830 830 MET N N 830 119.386 119.386 120.347 -0.961 25871 13738 1 20 . 1 1 830 830 MET HA H 830 4.030 4.030 4.583 -0.553 25871 13739 1 20 . 1 1 830 830 MET CA C 830 58.013 58.013 58.101 -0.088 25871 13740 1 20 . 1 1 830 830 MET CB C 830 32.110 32.110 32.535 -0.425 25871 13741 1 20 . 1 1 830 830 MET H H 830 8.088 8.088 7.387 0.701 25871 13742 1 20 . 1 1 831 831 ALA N N 831 121.027 121.027 121.113 -0.086 25871 13743 1 20 . 1 1 831 831 ALA HA H 831 4.075 4.075 3.990 0.085 25871 13744 1 20 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.335 -0.716 25871 13745 1 20 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.216 -0.090 25871 13746 1 20 . 1 1 831 831 ALA H H 831 7.829 7.829 8.499 -0.670 25871 13747 1 20 . 1 1 832 832 SER N N 832 114.314 114.314 114.624 -0.310 25871 13748 1 20 . 1 1 832 832 SER HA H 832 4.181 4.181 4.106 0.075 25871 13749 1 20 . 1 1 832 832 SER CA C 832 61.039 61.039 61.327 -0.287 25871 13750 1 20 . 1 1 832 832 SER CB C 832 62.671 62.671 62.937 -0.266 25871 13751 1 20 . 1 1 832 832 SER H H 832 7.711 7.711 7.511 0.200 25871 13752 1 20 . 1 1 833 833 PHE N N 833 121.898 121.898 121.748 0.150 25871 13753 1 20 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.133 0.097 25871 13754 1 20 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.656 -1.222 25871 13755 1 20 . 1 1 833 833 PHE CB C 833 38.249 38.249 38.203 0.046 25871 13756 1 20 . 1 1 833 833 PHE H H 833 7.717 7.717 7.171 0.546 25871 13757 1 20 . 1 1 834 834 LYS N N 834 118.752 118.752 119.778 -1.026 25871 13758 1 20 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.919 -0.297 25871 13759 1 20 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.387 0.038 25871 13760 1 20 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.273 -0.089 25871 13761 1 20 . 1 1 834 834 LYS H H 834 7.844 7.844 8.109 -0.265 25871 13762 1 20 . 1 1 835 835 ILE N N 835 118.528 118.528 117.731 0.797 25871 13763 1 20 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.794 -0.024 25871 13764 1 20 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.241 -0.522 25871 13765 1 20 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.438 -0.532 25871 13766 1 20 . 1 1 835 835 ILE H H 835 7.311 7.311 7.272 0.039 25871 13767 1 20 . 1 1 836 836 LEU N N 836 121.176 121.176 116.952 4.224 25871 13768 1 20 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.360 -0.370 25871 13769 1 20 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.992 0.174 25871 13770 1 20 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.700 0.796 25871 13771 1 20 . 1 1 836 836 LEU H H 836 7.617 7.617 7.191 0.426 25871 13772 1 20 . 1 1 837 837 ALA N N 837 119.189 119.189 121.390 -2.201 25871 13773 1 20 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.290 -0.366 25871 13774 1 20 . 1 1 837 837 ALA CA C 837 53.417 53.417 52.984 0.433 25871 13775 1 20 . 1 1 837 837 ALA CB C 837 19.392 19.392 17.846 1.546 25871 13776 1 20 . 1 1 837 837 ALA H H 837 8.092 8.092 8.548 -0.456 25871 13777 1 20 . 1 1 838 838 GLY N N 838 106.965 106.965 108.026 -1.061 25871 13778 1 20 . 1 1 838 838 GLY CA C 838 47.029 47.029 46.872 0.157 25871 13779 1 20 . 1 1 838 838 GLY H H 838 7.667 7.667 8.157 -0.490 25871 13780 1 20 . 1 1 839 839 ASP N N 839 122.392 122.392 120.244 2.148 25871 13781 1 20 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.505 0.012 25871 13782 1 20 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.600 -1.019 25871 13783 1 20 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.300 -0.716 25871 13784 1 20 . 1 1 839 839 ASP H H 839 8.703 8.703 7.776 0.927 25871 13785 1 20 . 1 1 840 840 LYS N N 840 117.603 117.603 115.990 1.613 25871 13786 1 20 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.532 -0.200 25871 13787 1 20 . 1 1 840 840 LYS CA C 840 55.967 55.967 55.272 0.695 25871 13788 1 20 . 1 1 840 840 LYS CB C 840 33.751 33.751 34.830 -1.079 25871 13789 1 20 . 1 1 840 840 LYS H H 840 7.592 7.592 7.898 -0.306 25871 13790 1 20 . 1 1 841 841 ASN N N 841 116.654 116.654 116.573 0.081 25871 13791 1 20 . 1 1 841 841 ASN HA H 841 4.642 4.642 5.018 -0.376 25871 13792 1 20 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.155 0.541 25871 13793 1 20 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.697 -0.441 25871 13794 1 20 . 1 1 841 841 ASN H H 841 8.689 8.689 8.827 -0.138 25871 13795 1 20 . 1 1 842 842 TYR N N 842 112.231 112.231 114.431 -2.200 25871 13796 1 20 . 1 1 842 842 TYR HA H 842 5.013 5.013 5.020 -0.007 25871 13797 1 20 . 1 1 842 842 TYR CA C 842 55.133 55.133 56.857 -1.724 25871 13798 1 20 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.054 1.574 25871 13799 1 20 . 1 1 842 842 TYR H H 842 6.638 6.638 7.320 -0.682 25871 13800 1 20 . 1 1 843 843 ILE N N 843 115.455 115.455 118.023 -2.568 25871 13801 1 20 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.246 0.554 25871 13802 1 20 . 1 1 843 843 ILE CA C 843 59.462 59.462 59.201 0.261 25871 13803 1 20 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.458 1.011 25871 13804 1 20 . 1 1 843 843 ILE H H 843 8.626 8.626 8.937 -0.311 25871 13805 1 20 . 1 1 844 844 THR N N 844 117.140 117.140 116.813 0.327 25871 13806 1 20 . 1 1 844 844 THR HA H 844 5.393 5.393 5.153 0.240 25871 13807 1 20 . 1 1 844 844 THR CA C 844 60.380 60.380 59.639 0.741 25871 13808 1 20 . 1 1 844 844 THR CB C 844 71.475 71.475 71.169 0.306 25871 13809 1 20 . 1 1 844 844 THR H H 844 9.329 9.329 7.946 1.383 25871 13810 1 20 . 1 1 845 845 MET N N 845 119.879 119.879 119.626 0.253 25871 13811 1 20 . 1 1 845 845 MET HA H 845 3.852 3.852 4.007 -0.155 25871 13812 1 20 . 1 1 845 845 MET CA C 845 60.389 60.389 60.605 -0.216 25871 13813 1 20 . 1 1 845 845 MET CB C 845 33.110 33.110 32.352 0.758 25871 13814 1 20 . 1 1 845 845 MET H H 845 8.555 8.555 8.679 -0.124 25871 13815 1 20 . 1 1 846 846 ASP N N 846 116.360 116.360 117.945 -1.585 25871 13816 1 20 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.399 -0.089 25871 13817 1 20 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.093 0.396 25871 13818 1 20 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.679 -0.007 25871 13819 1 20 . 1 1 846 846 ASP H H 846 8.375 8.375 8.401 -0.026 25871 13820 1 20 . 1 1 847 847 GLU N N 847 120.575 120.575 118.878 1.697 25871 13821 1 20 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.082 -0.196 25871 13822 1 20 . 1 1 847 847 GLU CA C 847 59.754 59.754 58.997 0.757 25871 13823 1 20 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.801 -0.044 25871 13824 1 20 . 1 1 847 847 GLU H H 847 7.852 7.852 7.620 0.232 25871 13825 1 20 . 1 1 848 848 LEU N N 848 118.753 118.753 117.506 1.247 25871 13826 1 20 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.260 -0.400 25871 13827 1 20 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.014 0.669 25871 13828 1 20 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.326 1.198 25871 13829 1 20 . 1 1 848 848 LEU H H 848 7.834 7.834 8.023 -0.189 25871 13830 1 20 . 1 1 849 849 ARG N N 849 113.976 113.976 117.883 -3.907 25871 13831 1 20 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.129 -0.169 25871 13832 1 20 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.167 0.429 25871 13833 1 20 . 1 1 849 849 ARG CB C 849 30.145 30.145 29.837 0.308 25871 13834 1 20 . 1 1 849 849 ARG H H 849 8.055 8.055 7.744 0.311 25871 13835 1 20 . 1 1 850 850 ARG N N 850 118.184 118.184 119.067 -0.883 25871 13836 1 20 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.221 0.010 25871 13837 1 20 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.422 -0.043 25871 13838 1 20 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.728 1.385 25871 13839 1 20 . 1 1 850 850 ARG H H 850 7.739 7.739 7.702 0.037 25871 13840 1 20 . 1 1 851 851 GLU N N 851 115.550 115.550 118.928 -3.378 25871 13841 1 20 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.268 0.112 25871 13842 1 20 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.333 -1.339 25871 13843 1 20 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.896 0.789 25871 13844 1 20 . 1 1 851 851 GLU H H 851 7.591 7.591 7.688 -0.097 25871 13845 1 20 . 1 1 852 852 LEU N N 852 119.170 119.170 119.786 -0.616 25871 13846 1 20 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.866 0.060 25871 13847 1 20 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.169 0.122 25871 13848 1 20 . 1 1 852 852 LEU CB C 852 42.638 42.638 42.087 0.551 25871 13849 1 20 . 1 1 852 852 LEU H H 852 7.891 7.891 7.596 0.295 25871 13850 1 20 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.597 -0.292 25871 13851 1 20 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.240 4.162 25871 13852 1 20 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.347 -0.023 25871 13853 1 20 . 1 1 855 855 ASP N N 855 114.853 114.853 118.700 -3.847 25871 13854 1 20 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.356 0.023 25871 13855 1 20 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.053 0.005 25871 13856 1 20 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.111 -0.872 25871 13857 1 20 . 1 1 855 855 ASP H H 855 8.796 8.796 8.621 0.175 25871 13858 1 20 . 1 1 856 856 GLN N N 856 121.513 121.513 118.541 2.972 25871 13859 1 20 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.976 0.264 25871 13860 1 20 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.582 -0.198 25871 13861 1 20 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.978 1.365 25871 13862 1 20 . 1 1 856 856 GLN H H 856 7.471 7.471 8.419 -0.948 25871 13863 1 20 . 1 1 857 857 ALA N N 857 122.821 122.821 121.836 0.985 25871 13864 1 20 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.036 -0.206 25871 13865 1 20 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.544 0.861 25871 13866 1 20 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.303 -0.319 25871 13867 1 20 . 1 1 857 857 ALA H H 857 8.889 8.889 8.267 0.622 25871 13868 1 20 . 1 1 858 858 GLU N N 858 114.091 114.091 119.481 -5.390 25871 13869 1 20 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.018 0.038 25871 13870 1 20 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.577 -0.796 25871 13871 1 20 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.540 -0.873 25871 13872 1 20 . 1 1 858 858 GLU H H 858 8.143 8.143 8.126 0.017 25871 13873 1 20 . 1 1 859 859 TYR N N 859 120.670 120.670 118.821 1.849 25871 13874 1 20 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.255 -0.128 25871 13875 1 20 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.237 -0.089 25871 13876 1 20 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.933 0.805 25871 13877 1 20 . 1 1 859 859 TYR H H 859 7.708 7.708 8.787 -1.079 25871 13878 1 20 . 1 1 860 860 CYS N N 860 115.848 115.848 118.630 -2.782 25871 13879 1 20 . 1 1 860 860 CYS HA H 860 4.188 4.188 3.974 0.214 25871 13880 1 20 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.259 0.179 25871 13881 1 20 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.231 0.234 25871 13882 1 20 . 1 1 860 860 CYS H H 860 8.119 8.119 7.872 0.247 25871 13883 1 20 . 1 1 861 861 ILE N N 861 120.124 120.124 120.870 -0.746 25871 13884 1 20 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.494 -0.130 25871 13885 1 20 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.732 0.000 25871 13886 1 20 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.786 0.936 25871 13887 1 20 . 1 1 861 861 ILE H H 861 8.451 8.451 8.299 0.152 25871 13888 1 20 . 1 1 862 862 ALA N N 862 116.691 116.691 118.796 -2.105 25871 13889 1 20 . 1 1 862 862 ALA HA H 862 4.250 4.250 3.995 0.255 25871 13890 1 20 . 1 1 862 862 ALA CA C 862 53.428 53.428 54.032 -0.604 25871 13891 1 20 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.426 0.649 25871 13892 1 20 . 1 1 862 862 ALA H H 862 7.304 7.304 7.655 -0.351 25871 13893 1 20 . 1 1 863 863 ARG N N 863 117.259 117.259 116.146 1.113 25871 13894 1 20 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.124 0.168 25871 13895 1 20 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.978 0.461 25871 13896 1 20 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.174 0.284 25871 13897 1 20 . 1 1 863 863 ARG H H 863 7.357 7.357 7.279 0.078 25871 13898 1 20 . 1 1 864 864 MET N N 864 117.570 117.570 119.148 -1.578 25871 13899 1 20 . 1 1 864 864 MET HA H 864 4.598 4.598 4.057 0.541 25871 13900 1 20 . 1 1 864 864 MET CA C 864 55.180 55.180 56.196 -1.016 25871 13901 1 20 . 1 1 864 864 MET CB C 864 37.428 37.428 33.992 3.436 25871 13902 1 20 . 1 1 864 864 MET H H 864 7.147 7.147 7.819 -0.672 25871 13903 1 20 . 1 1 865 865 ALA N N 865 124.616 124.616 126.476 -1.860 25871 13904 1 20 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.813 -0.880 25871 13905 1 20 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.987 -0.707 25871 13906 1 20 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.321 0.328 25871 13907 1 20 . 1 1 865 865 ALA H H 865 8.548 8.548 8.586 -0.038 25871 13908 1 20 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.521 -0.002 25871 13909 1 20 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.550 0.271 25871 13910 1 20 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.382 -0.391 25871 13911 1 20 . 1 1 867 867 TYR N N 867 122.454 122.454 122.930 -0.476 25871 13912 1 20 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.691 -0.536 25871 13913 1 20 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.722 -0.771 25871 13914 1 20 . 1 1 867 867 TYR CB C 867 43.347 43.347 40.970 2.377 25871 13915 1 20 . 1 1 867 867 TYR H H 867 8.127 8.127 8.146 -0.019 25871 13916 1 20 . 1 1 869 869 GLY N N 869 105.881 105.881 109.784 -3.903 25871 13917 1 20 . 1 1 869 869 GLY CA C 869 45.090 45.090 42.945 2.145 25871 13918 1 20 . 1 1 869 869 GLY H H 869 5.440 5.440 6.456 -1.016 25871 13919 1 20 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.379 -0.018 25871 13920 1 20 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.537 0.304 25871 13921 1 20 . 1 1 870 870 PRO CB C 870 31.630 31.630 31.927 -0.297 25871 13922 1 20 . 1 1 871 871 ASP N N 871 116.217 116.217 119.335 -3.118 25871 13923 1 20 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.953 -0.317 25871 13924 1 20 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.447 -0.497 25871 13925 1 20 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.625 -1.475 25871 13926 1 20 . 1 1 871 871 ASP H H 871 9.263 9.263 8.078 1.185 25871 13927 1 20 . 1 1 872 872 SER N N 872 112.352 112.352 115.703 -3.351 25871 13928 1 20 . 1 1 872 872 SER HA H 872 3.530 3.530 4.410 -0.880 25871 13929 1 20 . 1 1 872 872 SER CA C 872 59.184 59.184 59.018 0.166 25871 13930 1 20 . 1 1 872 872 SER CB C 872 63.286 63.286 64.147 -0.861 25871 13931 1 20 . 1 1 872 872 SER H H 872 7.487 7.487 7.580 -0.093 25871 13932 1 20 . 1 1 873 873 VAL N N 873 113.588 113.588 114.725 -1.137 25871 13933 1 20 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.621 0.132 25871 13934 1 20 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.179 -0.111 25871 13935 1 20 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.013 -0.096 25871 13936 1 20 . 1 1 873 873 VAL H H 873 6.411 6.411 7.950 -1.539 25871 13937 1 20 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.385 -0.055 25871 13938 1 20 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.619 -0.309 25871 13939 1 20 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.486 0.137 25871 13940 1 20 . 1 1 875 875 GLY N N 875 112.109 112.109 107.287 4.822 25871 13941 1 20 . 1 1 875 875 GLY CA C 875 45.492 45.492 43.469 2.023 25871 13942 1 20 . 1 1 875 875 GLY H H 875 8.798 8.798 7.988 0.810 25871 13943 1 20 . 1 1 876 876 ALA N N 876 120.267 120.267 124.182 -3.915 25871 13944 1 20 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.264 -1.127 25871 13945 1 20 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.943 2.320 25871 13946 1 20 . 1 1 876 876 ALA CB C 876 20.554 20.554 20.881 -0.327 25871 13947 1 20 . 1 1 876 876 ALA H H 876 7.762 7.762 7.761 0.001 25871 13948 1 20 . 1 1 877 877 LEU N N 877 125.696 125.696 123.105 2.591 25871 13949 1 20 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.083 -0.279 25871 13950 1 20 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.936 0.356 25871 13951 1 20 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.548 -1.707 25871 13952 1 20 . 1 1 877 877 LEU H H 877 9.598 9.598 9.368 0.230 25871 13953 1 20 . 1 1 878 878 ASP N N 878 119.836 119.836 123.052 -3.216 25871 13954 1 20 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.060 -0.141 25871 13955 1 20 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.802 -0.672 25871 13956 1 20 . 1 1 878 878 ASP CB C 878 40.798 40.798 42.007 -1.208 25871 13957 1 20 . 1 1 878 878 ASP H H 878 9.028 9.028 8.649 0.379 25871 13958 1 20 . 1 1 879 879 TYR N N 879 126.600 126.600 125.417 1.183 25871 13959 1 20 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.223 0.395 25871 13960 1 20 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.828 -0.272 25871 13961 1 20 . 1 1 879 879 TYR CB C 879 37.524 37.524 37.957 -0.433 25871 13962 1 20 . 1 1 879 879 TYR H H 879 7.454 7.454 8.126 -0.672 25871 13963 1 20 . 1 1 880 880 MET N N 880 119.910 119.910 118.127 1.783 25871 13964 1 20 . 1 1 880 880 MET HA H 880 4.619 4.619 3.738 0.881 25871 13965 1 20 . 1 1 880 880 MET CA C 880 56.205 56.205 57.928 -1.723 25871 13966 1 20 . 1 1 880 880 MET CB C 880 32.338 32.338 32.211 0.127 25871 13967 1 20 . 1 1 880 880 MET H H 880 7.620 7.620 7.357 0.263 25871 13968 1 20 . 1 1 881 881 SER N N 881 114.353 114.353 113.120 1.233 25871 13969 1 20 . 1 1 881 881 SER HA H 881 4.501 4.501 4.463 0.038 25871 13970 1 20 . 1 1 881 881 SER CA C 881 58.957 58.957 59.493 -0.536 25871 13971 1 20 . 1 1 881 881 SER CB C 881 64.284 64.284 63.424 0.860 25871 13972 1 20 . 1 1 881 881 SER H H 881 7.721 7.721 7.744 -0.023 25871 13973 1 20 . 1 1 882 882 PHE N N 882 122.746 122.746 125.144 -2.398 25871 13974 1 20 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.669 0.080 25871 13975 1 20 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.190 -0.739 25871 13976 1 20 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.812 1.484 25871 13977 1 20 . 1 1 882 882 PHE H H 882 7.386 7.386 7.857 -0.471 25871 13978 1 20 . 1 1 883 883 SER N N 883 120.214 120.214 114.038 6.176 25871 13979 1 20 . 1 1 883 883 SER HA H 883 4.338 4.338 3.932 0.406 25871 13980 1 20 . 1 1 883 883 SER CA C 883 57.455 57.455 60.337 -2.882 25871 13981 1 20 . 1 1 883 883 SER CB C 883 64.684 64.684 62.922 1.762 25871 13982 1 20 . 1 1 883 883 SER H H 883 7.464 7.464 8.511 -1.047 25871 13983 1 20 . 1 1 884 884 THR N N 884 110.671 110.671 109.635 1.036 25871 13984 1 20 . 1 1 884 884 THR HA H 884 4.008 4.008 4.425 -0.417 25871 13985 1 20 . 1 1 884 884 THR CA C 884 63.367 63.367 61.869 1.498 25871 13986 1 20 . 1 1 884 884 THR CB C 884 69.088 69.088 70.194 -1.106 25871 13987 1 20 . 1 1 884 884 THR H H 884 7.993 7.993 7.611 0.382 25871 13988 1 20 . 1 1 885 885 ALA N N 885 125.453 125.453 123.916 1.537 25871 13989 1 20 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.667 -0.397 25871 13990 1 20 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.158 0.002 25871 13991 1 20 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.020 -1.710 25871 13992 1 20 . 1 1 885 885 ALA H H 885 7.905 7.905 7.606 0.299 25871 13993 1 20 . 1 1 886 886 LEU N N 886 120.791 120.791 118.608 2.183 25871 13994 1 20 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.361 -1.314 25871 13995 1 20 . 1 1 886 886 LEU CA C 886 55.496 55.496 54.618 0.878 25871 13996 1 20 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.401 -3.062 25871 13997 1 20 . 1 1 886 886 LEU H H 886 8.087 8.087 8.153 -0.066 25871 13998 1 20 . 1 1 887 887 TYR N N 887 121.620 121.620 115.054 6.566 25871 13999 1 20 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.893 -0.490 25871 14000 1 20 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.605 1.189 25871 14001 1 20 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.336 -0.715 25871 14002 1 20 . 1 1 887 887 TYR H H 887 8.272 8.272 7.904 0.368 25871 14003 1 20 . 1 1 888 888 GLY N N 888 112.443 112.443 107.062 5.381 25871 14004 1 20 . 1 1 888 888 GLY CA C 888 45.195 45.195 45.178 0.016 25871 14005 1 20 . 1 1 888 888 GLY H H 888 8.087 8.087 8.269 -0.182 25871 14006 1 20 . 1 1 889 889 GLU N N 889 120.272 120.272 118.374 1.898 25871 14007 1 20 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.630 -0.335 25871 14008 1 20 . 1 1 889 889 GLU CA C 889 56.593 56.593 55.189 1.404 25871 14009 1 20 . 1 1 889 889 GLU CB C 889 30.601 30.601 32.723 -2.122 25871 14010 1 20 . 1 1 889 889 GLU H H 889 7.991 7.991 7.728 0.263 25871 14011 1 20 . 1 1 890 890 SER N N 890 116.330 116.330 115.389 0.941 25871 14012 1 20 . 1 1 890 890 SER HA H 890 4.452 4.452 4.809 -0.357 25871 14013 1 20 . 1 1 890 890 SER CA C 890 58.334 58.334 57.353 0.980 25871 14014 1 20 . 1 1 890 890 SER CB C 890 64.174 64.174 65.134 -0.960 25871 14015 1 20 . 1 1 890 890 SER H H 890 8.325 8.325 8.360 -0.035 25871 14016 1 20 . 1 1 891 891 ASP N N 891 122.987 122.987 120.737 2.250 25871 14017 1 20 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.621 0.031 25871 14018 1 20 . 1 1 891 891 ASP CA C 891 54.534 54.534 55.822 -1.288 25871 14019 1 20 . 1 1 891 891 ASP CB C 891 40.981 40.981 41.211 -0.230 25871 14020 1 20 . 1 1 891 891 ASP H H 891 8.387 8.387 8.426 -0.039 25871 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 140 2.615 -0.312 2.606 25871 2 1 1 "Average Difference" HA 157 0.330 0.049 0.327 25871 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25871 4 1 1 "Average Difference" CA 147 1.159 -0.079 1.161 25871 5 1 1 "Average Difference" CB 137 1.002 0.065 1.004 25871 6 1 1 "Average Difference" HN 140 0.572 -0.131 0.558 25871 7 1 2 "Average Difference" N 140 2.568 -0.321 2.557 25871 8 1 2 "Average Difference" HA 157 0.338 0.050 0.336 25871 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25871 10 1 2 "Average Difference" CA 147 1.190 -0.073 1.192 25871 11 1 2 "Average Difference" CB 137 0.972 0.067 0.973 25871 12 1 2 "Average Difference" HN 140 0.597 -0.125 0.586 25871 13 1 3 "Average Difference" N 140 2.519 -0.337 2.505 25871 14 1 3 "Average Difference" HA 157 0.354 0.051 0.351 25871 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25871 16 1 3 "Average Difference" CA 147 1.139 -0.083 1.140 25871 17 1 3 "Average Difference" CB 137 0.959 0.054 0.961 25871 18 1 3 "Average Difference" HN 140 0.572 -0.132 0.559 25871 19 1 4 "Average Difference" N 140 2.587 -0.300 2.579 25871 20 1 4 "Average Difference" HA 157 0.349 0.042 0.347 25871 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25871 22 1 4 "Average Difference" CA 147 1.151 -0.032 1.155 25871 23 1 4 "Average Difference" CB 137 1.007 0.017 1.010 25871 24 1 4 "Average Difference" HN 140 0.573 -0.127 0.561 25871 25 1 5 "Average Difference" N 140 2.518 -0.366 2.501 25871 26 1 5 "Average Difference" HA 157 0.346 0.060 0.342 25871 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25871 28 1 5 "Average Difference" CA 147 1.118 -0.078 1.119 25871 29 1 5 "Average Difference" CB 137 1.014 0.065 1.015 25871 30 1 5 "Average Difference" HN 140 0.581 -0.157 0.561 25871 31 1 6 "Average Difference" N 140 2.595 -0.285 2.589 25871 32 1 6 "Average Difference" HA 157 0.342 0.049 0.339 25871 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25871 34 1 6 "Average Difference" CA 147 1.146 -0.072 1.148 25871 35 1 6 "Average Difference" CB 137 0.998 0.026 1.001 25871 36 1 6 "Average Difference" HN 140 0.595 -0.129 0.583 25871 37 1 7 "Average Difference" N 140 2.455 -0.300 2.446 25871 38 1 7 "Average Difference" HA 157 0.340 0.058 0.336 25871 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25871 40 1 7 "Average Difference" CA 147 1.151 -0.126 1.148 25871 41 1 7 "Average Difference" CB 137 0.954 0.077 0.955 25871 42 1 7 "Average Difference" HN 140 0.584 -0.126 0.573 25871 43 1 8 "Average Difference" N 140 2.569 -0.274 2.563 25871 44 1 8 "Average Difference" HA 157 0.347 0.048 0.345 25871 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25871 46 1 8 "Average Difference" CA 147 1.129 -0.052 1.132 25871 47 1 8 "Average Difference" CB 137 0.954 0.071 0.955 25871 48 1 8 "Average Difference" HN 140 0.596 -0.146 0.580 25871 49 1 9 "Average Difference" N 140 2.460 -0.169 2.463 25871 50 1 9 "Average Difference" HA 157 0.342 0.039 0.341 25871 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25871 52 1 9 "Average Difference" CA 147 1.137 -0.081 1.138 25871 53 1 9 "Average Difference" CB 137 0.884 0.003 0.887 25871 54 1 9 "Average Difference" HN 140 0.587 -0.133 0.574 25871 55 1 10 "Average Difference" N 140 2.548 -0.502 2.507 25871 56 1 10 "Average Difference" HA 157 0.335 0.059 0.331 25871 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25871 58 1 10 "Average Difference" CA 147 1.144 -0.120 1.142 25871 59 1 10 "Average Difference" CB 137 0.959 0.090 0.958 25871 60 1 10 "Average Difference" HN 140 0.603 -0.144 0.588 25871 61 1 11 "Average Difference" N 140 2.499 -0.301 2.489 25871 62 1 11 "Average Difference" HA 157 0.344 0.049 0.341 25871 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25871 64 1 11 "Average Difference" CA 147 1.167 -0.091 1.167 25871 65 1 11 "Average Difference" CB 137 0.989 0.035 0.992 25871 66 1 11 "Average Difference" HN 140 0.608 -0.163 0.588 25871 67 1 12 "Average Difference" N 140 2.589 -0.288 2.582 25871 68 1 12 "Average Difference" HA 157 0.335 0.036 0.335 25871 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25871 70 1 12 "Average Difference" CA 147 1.070 -0.058 1.072 25871 71 1 12 "Average Difference" CB 137 1.015 0.057 1.017 25871 72 1 12 "Average Difference" HN 140 0.610 -0.099 0.604 25871 73 1 13 "Average Difference" N 140 2.720 -0.260 2.718 25871 74 1 13 "Average Difference" HA 157 0.336 0.053 0.333 25871 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25871 76 1 13 "Average Difference" CA 147 1.138 -0.035 1.141 25871 77 1 13 "Average Difference" CB 137 0.996 0.052 0.999 25871 78 1 13 "Average Difference" HN 140 0.596 -0.122 0.586 25871 79 1 14 "Average Difference" N 140 2.521 -0.219 2.520 25871 80 1 14 "Average Difference" HA 157 0.339 0.048 0.337 25871 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25871 82 1 14 "Average Difference" CA 147 1.134 -0.084 1.135 25871 83 1 14 "Average Difference" CB 137 0.947 0.060 0.949 25871 84 1 14 "Average Difference" HN 140 0.591 -0.142 0.575 25871 85 1 15 "Average Difference" N 140 2.603 -0.269 2.598 25871 86 1 15 "Average Difference" HA 157 0.341 0.055 0.338 25871 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25871 88 1 15 "Average Difference" CA 147 1.124 -0.165 1.116 25871 89 1 15 "Average Difference" CB 137 0.958 0.071 0.959 25871 90 1 15 "Average Difference" HN 140 0.621 -0.104 0.615 25871 91 1 16 "Average Difference" N 140 2.553 -0.258 2.549 25871 92 1 16 "Average Difference" HA 157 0.334 0.046 0.332 25871 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25871 94 1 16 "Average Difference" CA 147 1.224 -0.100 1.224 25871 95 1 16 "Average Difference" CB 137 0.966 0.026 0.970 25871 96 1 16 "Average Difference" HN 140 0.628 -0.118 0.619 25871 97 1 17 "Average Difference" N 140 2.651 -0.314 2.642 25871 98 1 17 "Average Difference" HA 157 0.321 0.033 0.321 25871 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25871 100 1 17 "Average Difference" CA 147 1.099 -0.085 1.099 25871 101 1 17 "Average Difference" CB 137 0.906 -0.021 0.909 25871 102 1 17 "Average Difference" HN 140 0.586 -0.132 0.573 25871 103 1 18 "Average Difference" N 140 2.530 -0.450 2.498 25871 104 1 18 "Average Difference" HA 157 0.343 0.047 0.341 25871 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25871 106 1 18 "Average Difference" CA 147 1.132 -0.139 1.128 25871 107 1 18 "Average Difference" CB 137 0.918 0.060 0.920 25871 108 1 18 "Average Difference" HN 140 0.578 -0.158 0.558 25871 109 1 19 "Average Difference" N 140 2.656 -0.329 2.645 25871 110 1 19 "Average Difference" HA 157 0.344 0.061 0.340 25871 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25871 112 1 19 "Average Difference" CA 147 1.143 -0.109 1.142 25871 113 1 19 "Average Difference" CB 137 0.975 0.043 0.978 25871 114 1 19 "Average Difference" HN 140 0.600 -0.128 0.589 25871 115 1 20 "Average Difference" N 140 2.640 -0.406 2.618 25871 116 1 20 "Average Difference" HA 157 0.324 0.050 0.321 25871 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25871 118 1 20 "Average Difference" CA 147 1.091 -0.053 1.094 25871 119 1 20 "Average Difference" CB 137 0.962 0.074 0.963 25871 120 1 20 "Average Difference" HN 140 0.597 -0.139 0.583 25871 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 25871 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 743 743 ILE N N 743 122.085 122.085 124.250 -2.165 25871 2 1 . 1 1 743 743 ILE HA H 743 4.356 4.356 4.162 0.194 25871 3 1 . 1 1 743 743 ILE CA C 743 60.624 60.624 61.960 -1.336 25871 4 1 . 1 1 743 743 ILE CB C 743 39.023 39.023 38.459 0.564 25871 5 1 . 1 1 743 743 ILE H H 743 8.122 8.122 8.110 0.012 25871 6 1 . 1 1 744 744 SER N N 744 123.378 123.378 122.605 0.773 25871 7 1 . 1 1 744 744 SER HA H 744 4.472 4.472 4.641 -0.169 25871 8 1 . 1 1 744 744 SER CA C 744 57.581 57.581 57.407 0.174 25871 9 1 . 1 1 744 744 SER CB C 744 65.276 65.276 64.789 0.487 25871 10 1 . 1 1 744 744 SER H H 744 8.844 8.844 8.326 0.518 25871 11 1 . 1 1 745 745 GLN N N 745 121.612 121.612 121.570 0.042 25871 12 1 . 1 1 745 745 GLN HA H 745 3.978 3.978 4.088 -0.110 25871 13 1 . 1 1 745 745 GLN CA C 745 58.887 58.887 59.316 -0.429 25871 14 1 . 1 1 745 745 GLN CB C 745 28.526 28.526 28.572 -0.046 25871 15 1 . 1 1 745 745 GLN H H 745 9.035 9.035 8.960 0.075 25871 16 1 . 1 1 746 746 GLU N N 746 118.618 118.618 117.591 1.027 25871 17 1 . 1 1 746 746 GLU HA H 746 4.034 4.034 4.121 -0.087 25871 18 1 . 1 1 746 746 GLU CA C 746 60.297 60.297 58.949 1.349 25871 19 1 . 1 1 746 746 GLU CB C 746 28.944 28.944 28.753 0.191 25871 20 1 . 1 1 746 746 GLU H H 746 8.718 8.718 8.661 0.057 25871 21 1 . 1 1 747 747 GLN N N 747 120.436 120.436 119.696 0.740 25871 22 1 . 1 1 747 747 GLN HA H 747 3.824 3.824 4.185 -0.361 25871 23 1 . 1 1 747 747 GLN CA C 747 58.504 58.504 58.825 -0.321 25871 24 1 . 1 1 747 747 GLN CB C 747 28.955 28.955 29.022 -0.067 25871 25 1 . 1 1 747 747 GLN H H 747 7.821 7.821 7.650 0.171 25871 26 1 . 1 1 748 748 MET N N 748 119.174 119.174 117.692 1.482 25871 27 1 . 1 1 748 748 MET HA H 748 4.228 4.228 4.509 -0.281 25871 28 1 . 1 1 748 748 MET CA C 748 58.305 58.305 59.258 -0.953 25871 29 1 . 1 1 748 748 MET CB C 748 30.922 30.922 32.255 -1.333 25871 30 1 . 1 1 748 748 MET H H 748 8.477 8.477 8.303 0.174 25871 31 1 . 1 1 749 749 ASN N N 749 117.610 117.610 119.516 -1.906 25871 32 1 . 1 1 749 749 ASN HA H 749 4.505 4.505 4.444 0.061 25871 33 1 . 1 1 749 749 ASN CA C 749 55.962 55.962 56.812 -0.850 25871 34 1 . 1 1 749 749 ASN CB C 749 37.905 37.905 38.394 -0.489 25871 35 1 . 1 1 749 749 ASN H H 749 8.302 8.302 8.018 0.284 25871 36 1 . 1 1 750 750 GLU N N 750 122.737 122.737 120.194 2.543 25871 37 1 . 1 1 750 750 GLU HA H 750 4.246 4.246 4.084 0.162 25871 38 1 . 1 1 750 750 GLU CA C 750 59.525 59.525 58.752 0.773 25871 39 1 . 1 1 750 750 GLU CB C 750 29.409 29.409 29.022 0.387 25871 40 1 . 1 1 750 750 GLU H H 750 7.789 7.789 7.851 -0.062 25871 41 1 . 1 1 751 751 PHE N N 751 120.358 120.358 121.549 -1.191 25871 42 1 . 1 1 751 751 PHE HA H 751 4.978 4.978 4.389 0.589 25871 43 1 . 1 1 751 751 PHE CA C 751 58.643 58.643 62.243 -3.600 25871 44 1 . 1 1 751 751 PHE CB C 751 37.478 37.478 38.893 -1.415 25871 45 1 . 1 1 751 751 PHE H H 751 8.772 8.772 8.414 0.358 25871 46 1 . 1 1 752 752 ARG N N 752 120.173 120.173 119.411 0.762 25871 47 1 . 1 1 752 752 ARG HA H 752 4.147 4.147 4.350 -0.203 25871 48 1 . 1 1 752 752 ARG CA C 752 56.801 56.801 59.827 -3.026 25871 49 1 . 1 1 752 752 ARG CB C 752 30.362 30.362 30.129 0.233 25871 50 1 . 1 1 752 752 ARG H H 752 8.990 8.990 8.681 0.309 25871 51 1 . 1 1 753 753 ALA N N 753 120.965 120.965 122.139 -1.174 25871 52 1 . 1 1 753 753 ALA HA H 753 4.255 4.255 4.226 0.029 25871 53 1 . 1 1 753 753 ALA CA C 753 55.425 55.425 55.186 0.239 25871 54 1 . 1 1 753 753 ALA CB C 753 18.012 18.012 18.204 -0.192 25871 55 1 . 1 1 753 753 ALA H H 753 8.136 8.136 8.478 -0.342 25871 56 1 . 1 1 754 754 SER N N 754 115.350 115.350 115.701 -0.351 25871 57 1 . 1 1 754 754 SER HA H 754 4.451 4.451 4.341 0.110 25871 58 1 . 1 1 754 754 SER CA C 754 63.045 63.045 62.247 0.798 25871 59 1 . 1 1 754 754 SER CB C 754 63.111 63.111 63.320 -0.209 25871 60 1 . 1 1 754 754 SER H H 754 8.366 8.366 8.482 -0.116 25871 61 1 . 1 1 755 755 PHE N N 755 121.902 121.902 122.831 -0.929 25871 62 1 . 1 1 755 755 PHE HA H 755 3.986 3.986 4.315 -0.329 25871 63 1 . 1 1 755 755 PHE CA C 755 62.353 62.353 60.419 1.934 25871 64 1 . 1 1 755 755 PHE CB C 755 40.165 40.165 39.111 1.054 25871 65 1 . 1 1 755 755 PHE H H 755 8.498 8.498 8.231 0.267 25871 66 1 . 1 1 756 756 ASN N N 756 114.071 114.071 117.905 -3.834 25871 67 1 . 1 1 756 756 ASN HA H 756 4.530 4.530 3.746 0.784 25871 68 1 . 1 1 756 756 ASN CA C 756 55.804 55.804 55.425 0.379 25871 69 1 . 1 1 756 756 ASN CB C 756 37.933 37.933 38.513 -0.580 25871 70 1 . 1 1 756 756 ASN H H 756 8.722 8.722 8.131 0.591 25871 71 1 . 1 1 757 757 HIS N N 757 119.524 119.524 119.228 0.296 25871 72 1 . 1 1 757 757 HIS HA H 757 4.122 4.122 4.298 -0.176 25871 73 1 . 1 1 757 757 HIS CA C 757 59.470 59.470 59.376 0.094 25871 74 1 . 1 1 757 757 HIS CB C 757 30.047 30.047 30.186 -0.139 25871 75 1 . 1 1 757 757 HIS H H 757 8.027 8.027 8.116 -0.089 25871 76 1 . 1 1 758 758 PHE N N 758 113.439 113.439 116.169 -2.730 25871 77 1 . 1 1 758 758 PHE HA H 758 4.107 4.107 4.421 -0.314 25871 78 1 . 1 1 758 758 PHE CA C 758 60.068 60.068 59.873 0.195 25871 79 1 . 1 1 758 758 PHE CB C 758 39.988 39.988 39.685 0.303 25871 80 1 . 1 1 758 758 PHE H H 758 7.322 7.322 8.116 -0.794 25871 81 1 . 1 1 759 759 ASP N N 759 121.632 121.632 119.634 1.998 25871 82 1 . 1 1 759 759 ASP HA H 759 4.616 4.616 4.755 -0.139 25871 83 1 . 1 1 759 759 ASP CA C 759 52.608 52.608 52.446 0.162 25871 84 1 . 1 1 759 759 ASP CB C 759 38.681 38.681 39.080 -0.399 25871 85 1 . 1 1 759 759 ASP H H 759 7.439 7.439 8.420 -0.981 25871 86 1 . 1 1 760 760 ARG N N 760 123.429 123.429 122.023 1.406 25871 87 1 . 1 1 760 760 ARG HA H 760 3.825 3.825 3.936 -0.111 25871 88 1 . 1 1 760 760 ARG CA C 760 58.631 58.631 57.201 1.430 25871 89 1 . 1 1 760 760 ARG CB C 760 30.073 30.073 30.054 0.019 25871 90 1 . 1 1 760 760 ARG H H 760 7.797 7.797 7.744 0.053 25871 91 1 . 1 1 761 761 ASP N N 761 115.027 115.027 117.800 -2.773 25871 92 1 . 1 1 761 761 ASP HA H 761 4.481 4.481 4.532 -0.051 25871 93 1 . 1 1 761 761 ASP CA C 761 52.478 52.478 53.597 -1.119 25871 94 1 . 1 1 761 761 ASP CB C 761 39.500 39.500 41.026 -1.526 25871 95 1 . 1 1 761 761 ASP H H 761 8.470 8.470 7.742 0.728 25871 96 1 . 1 1 762 762 HIS N N 762 117.442 117.442 115.692 1.750 25871 97 1 . 1 1 762 762 HIS HA H 762 4.237 4.237 4.409 -0.172 25871 98 1 . 1 1 762 762 HIS CA C 762 56.493 56.493 56.572 -0.079 25871 99 1 . 1 1 762 762 HIS CB C 762 26.581 26.581 27.012 -0.431 25871 100 1 . 1 1 762 762 HIS H H 762 7.716 7.716 7.642 0.074 25871 101 1 . 1 1 763 763 SER N N 763 117.624 117.624 115.348 2.276 25871 102 1 . 1 1 763 763 SER HA H 763 4.441 4.441 4.348 0.093 25871 103 1 . 1 1 763 763 SER CA C 763 59.706 59.706 59.778 -0.072 25871 104 1 . 1 1 763 763 SER CB C 763 65.228 65.228 64.431 0.797 25871 105 1 . 1 1 763 763 SER H H 763 9.708 9.708 8.354 1.354 25871 106 1 . 1 1 764 764 GLY N N 764 117.320 117.320 110.350 6.970 25871 107 1 . 1 1 764 764 GLY CA C 764 45.759 45.759 45.714 0.045 25871 108 1 . 1 1 764 764 GLY H H 764 11.185 11.185 9.412 1.773 25871 109 1 . 1 1 765 765 THR N N 765 110.392 110.392 111.014 -0.622 25871 110 1 . 1 1 765 765 THR HA H 765 5.197 5.197 5.249 -0.052 25871 111 1 . 1 1 765 765 THR CA C 765 59.125 59.125 60.464 -1.339 25871 112 1 . 1 1 765 765 THR CB C 765 73.022 73.022 72.165 0.857 25871 113 1 . 1 1 765 765 THR H H 765 7.972 7.972 7.611 0.361 25871 114 1 . 1 1 766 766 LEU N N 766 117.658 117.658 119.310 -1.652 25871 115 1 . 1 1 766 766 LEU HA H 766 4.824 4.824 4.722 0.102 25871 116 1 . 1 1 766 766 LEU CA C 766 52.752 52.752 53.080 -0.328 25871 117 1 . 1 1 766 766 LEU CB C 766 45.213 45.213 46.805 -1.592 25871 118 1 . 1 1 766 766 LEU H H 766 8.589 8.589 8.445 0.144 25871 119 1 . 1 1 767 767 GLY N N 767 108.644 108.644 107.297 1.347 25871 120 1 . 1 1 767 767 GLY CA C 767 43.936 43.936 43.589 0.347 25871 121 1 . 1 1 767 767 GLY H H 767 8.601 8.601 8.586 0.015 25871 122 1 . 1 1 768 768 PRO HA H 768 4.281 4.281 4.416 -0.135 25871 123 1 . 1 1 768 768 PRO CA C 768 66.873 66.873 65.417 1.457 25871 124 1 . 1 1 768 768 PRO CB C 768 32.191 32.191 32.166 0.026 25871 125 1 . 1 1 769 769 GLU N N 769 115.170 115.170 119.481 -4.311 25871 126 1 . 1 1 769 769 GLU HA H 769 3.932 3.932 3.891 0.041 25871 127 1 . 1 1 769 769 GLU CA C 769 59.773 59.773 59.601 0.172 25871 128 1 . 1 1 769 769 GLU CB C 769 28.828 28.828 29.101 -0.273 25871 129 1 . 1 1 769 769 GLU H H 769 8.649 8.649 8.822 -0.173 25871 130 1 . 1 1 770 770 GLU N N 770 121.294 121.294 120.694 0.600 25871 131 1 . 1 1 770 770 GLU HA H 770 4.113 4.113 4.217 -0.104 25871 132 1 . 1 1 770 770 GLU CA C 770 59.618 59.618 59.496 0.122 25871 133 1 . 1 1 770 770 GLU CB C 770 30.303 30.303 29.272 1.031 25871 134 1 . 1 1 770 770 GLU H H 770 7.846 7.846 8.256 -0.410 25871 135 1 . 1 1 771 771 PHE N N 771 119.292 119.292 118.674 0.618 25871 136 1 . 1 1 771 771 PHE HA H 771 4.242 4.242 4.104 0.138 25871 137 1 . 1 1 771 771 PHE CA C 771 59.104 59.104 59.910 -0.806 25871 138 1 . 1 1 771 771 PHE CB C 771 38.726 38.726 38.855 -0.129 25871 139 1 . 1 1 771 771 PHE H H 771 8.876 8.876 8.436 0.440 25871 140 1 . 1 1 772 772 LYS N N 772 120.139 120.139 120.360 -0.221 25871 141 1 . 1 1 772 772 LYS HA H 772 3.176 3.176 3.944 -0.768 25871 142 1 . 1 1 772 772 LYS CA C 772 60.485 60.485 59.489 0.996 25871 143 1 . 1 1 772 772 LYS CB C 772 31.684 31.684 32.271 -0.587 25871 144 1 . 1 1 772 772 LYS H H 772 8.404 8.404 7.675 0.729 25871 145 1 . 1 1 773 773 ALA N N 773 118.856 118.856 121.648 -2.792 25871 146 1 . 1 1 773 773 ALA HA H 773 3.792 3.792 4.148 -0.356 25871 147 1 . 1 1 773 773 ALA CA C 773 54.967 54.967 54.396 0.571 25871 148 1 . 1 1 773 773 ALA CB C 773 17.946 17.946 18.337 -0.391 25871 149 1 . 1 1 773 773 ALA H H 773 7.180 7.180 8.089 -0.909 25871 150 1 . 1 1 774 774 CYS N N 774 121.600 121.600 117.016 4.584 25871 151 1 . 1 1 774 774 CYS HA H 774 3.186 3.186 2.891 0.295 25871 152 1 . 1 1 774 774 CYS CA C 774 61.579 61.579 61.398 0.181 25871 153 1 . 1 1 774 774 CYS CB C 774 26.030 26.030 26.445 -0.415 25871 154 1 . 1 1 774 774 CYS H H 774 7.731 7.731 7.562 0.169 25871 155 1 . 1 1 775 775 LEU N N 775 120.029 120.029 119.618 0.411 25871 156 1 . 1 1 775 775 LEU HA H 775 3.839 3.839 3.603 0.236 25871 157 1 . 1 1 775 775 LEU CA C 775 58.349 58.349 57.317 1.032 25871 158 1 . 1 1 775 775 LEU CB C 775 40.528 40.528 41.278 -0.750 25871 159 1 . 1 1 775 775 LEU H H 775 8.353 8.353 7.049 1.304 25871 160 1 . 1 1 776 776 ILE N N 776 121.900 121.900 118.913 2.987 25871 161 1 . 1 1 776 776 ILE HA H 776 4.229 4.229 4.111 0.118 25871 162 1 . 1 1 776 776 ILE CA C 776 65.523 65.523 64.465 1.059 25871 163 1 . 1 1 776 776 ILE CB C 776 38.261 38.261 37.563 0.698 25871 164 1 . 1 1 776 776 ILE H H 776 8.405 8.405 7.511 0.894 25871 165 1 . 1 1 777 777 SER N N 777 119.490 119.490 115.261 4.229 25871 166 1 . 1 1 777 777 SER HA H 777 4.435 4.435 4.287 0.148 25871 167 1 . 1 1 777 777 SER CA C 777 61.843 61.843 61.158 0.685 25871 168 1 . 1 1 777 777 SER CB C 777 62.953 62.953 62.990 -0.037 25871 169 1 . 1 1 777 777 SER H H 777 8.144 8.144 7.710 0.434 25871 170 1 . 1 1 778 778 LEU N N 778 122.142 122.142 118.618 3.524 25871 171 1 . 1 1 778 778 LEU HA H 778 4.642 4.642 4.493 0.149 25871 172 1 . 1 1 778 778 LEU CA C 778 55.077 55.077 55.206 -0.129 25871 173 1 . 1 1 778 778 LEU CB C 778 42.620 42.620 42.918 -0.298 25871 174 1 . 1 1 778 778 LEU H H 778 7.644 7.644 7.742 -0.098 25871 175 1 . 1 1 779 779 GLY N N 779 106.613 106.613 105.745 0.868 25871 176 1 . 1 1 779 779 GLY CA C 779 45.150 45.150 44.561 0.589 25871 177 1 . 1 1 779 779 GLY H H 779 7.982 7.982 7.593 0.389 25871 178 1 . 1 1 780 780 TYR N N 780 121.620 121.620 119.565 2.055 25871 179 1 . 1 1 780 780 TYR HA H 780 4.165 4.165 4.556 -0.391 25871 180 1 . 1 1 780 780 TYR CA C 780 59.373 59.373 57.008 2.365 25871 181 1 . 1 1 780 780 TYR CB C 780 38.394 38.394 39.618 -1.224 25871 182 1 . 1 1 780 780 TYR H H 780 8.174 8.174 7.752 0.422 25871 183 1 . 1 1 781 781 ASP N N 781 124.225 124.225 124.598 -0.373 25871 184 1 . 1 1 781 781 ASP HA H 781 4.689 4.689 4.736 -0.047 25871 185 1 . 1 1 781 781 ASP CA C 781 53.565 53.565 53.846 -0.281 25871 186 1 . 1 1 781 781 ASP CB C 781 40.115 40.115 39.679 0.436 25871 187 1 . 1 1 781 781 ASP H H 781 8.650 8.650 8.902 -0.252 25871 188 1 . 1 1 782 782 ILE N N 782 123.492 123.492 120.949 2.543 25871 189 1 . 1 1 782 782 ILE HA H 782 4.249 4.249 4.278 -0.029 25871 190 1 . 1 1 782 782 ILE CA C 782 59.490 59.490 60.674 -1.184 25871 191 1 . 1 1 782 782 ILE CB C 782 38.425 38.425 37.474 0.951 25871 192 1 . 1 1 782 782 ILE H H 782 7.300 7.300 7.772 -0.472 25871 193 1 . 1 1 783 783 GLY N N 783 113.404 113.404 113.090 0.314 25871 194 1 . 1 1 783 783 GLY CA C 783 44.630 44.630 45.017 -0.387 25871 195 1 . 1 1 783 783 GLY H H 783 8.345 8.345 8.404 -0.059 25871 196 1 . 1 1 784 784 ASN N N 784 119.115 119.115 117.102 2.013 25871 197 1 . 1 1 784 784 ASN HA H 784 4.928 4.928 4.365 0.563 25871 198 1 . 1 1 784 784 ASN CA C 784 52.055 52.055 53.739 -1.684 25871 199 1 . 1 1 784 784 ASN CB C 784 37.467 37.467 38.011 -0.544 25871 200 1 . 1 1 784 784 ASN H H 784 8.476 8.476 8.457 0.019 25871 201 1 . 1 1 785 785 ASP N N 785 119.675 119.675 119.144 0.531 25871 202 1 . 1 1 785 785 ASP HA H 785 4.820 4.820 4.824 -0.004 25871 203 1 . 1 1 785 785 ASP CA C 785 52.365 52.365 52.748 -0.382 25871 204 1 . 1 1 785 785 ASP CB C 785 39.736 39.736 41.278 -1.542 25871 205 1 . 1 1 785 785 ASP H H 785 8.081 8.081 7.951 0.130 25871 206 1 . 1 1 786 786 PRO HA H 786 4.306 4.306 4.318 -0.012 25871 207 1 . 1 1 786 786 PRO CA C 786 66.213 66.213 65.145 1.068 25871 208 1 . 1 1 786 786 PRO CB C 786 31.980 31.980 32.149 -0.169 25871 209 1 . 1 1 787 787 GLN N N 787 118.154 118.154 118.690 -0.536 25871 210 1 . 1 1 787 787 GLN HA H 787 4.178 4.178 4.276 -0.098 25871 211 1 . 1 1 787 787 GLN CA C 787 59.433 59.433 58.435 0.998 25871 212 1 . 1 1 787 787 GLN CB C 787 27.668 27.668 27.483 0.185 25871 213 1 . 1 1 787 787 GLN H H 787 8.413 8.413 8.606 -0.194 25871 214 1 . 1 1 788 788 GLY N N 788 113.343 113.343 109.509 3.834 25871 215 1 . 1 1 788 788 GLY CA C 788 47.451 47.451 46.757 0.694 25871 216 1 . 1 1 788 788 GLY H H 788 8.644 8.644 8.458 0.186 25871 217 1 . 1 1 789 789 GLU N N 789 121.232 121.232 121.935 -0.703 25871 218 1 . 1 1 789 789 GLU HA H 789 4.161 4.161 4.112 0.049 25871 219 1 . 1 1 789 789 GLU CA C 789 59.433 59.433 59.749 -0.316 25871 220 1 . 1 1 789 789 GLU CB C 789 29.641 29.641 29.475 0.166 25871 221 1 . 1 1 789 789 GLU H H 789 8.539 8.539 8.523 0.016 25871 222 1 . 1 1 790 790 ALA N N 790 122.805 122.805 120.968 1.837 25871 223 1 . 1 1 790 790 ALA HA H 790 4.273 4.273 4.144 0.129 25871 224 1 . 1 1 790 790 ALA CA C 790 54.948 54.948 55.122 -0.174 25871 225 1 . 1 1 790 790 ALA CB C 790 17.901 17.901 18.454 -0.553 25871 226 1 . 1 1 790 790 ALA H H 790 8.035 8.035 7.615 0.420 25871 227 1 . 1 1 791 791 GLU N N 791 122.504 122.504 117.185 5.319 25871 228 1 . 1 1 791 791 GLU HA H 791 4.749 4.749 4.212 0.537 25871 229 1 . 1 1 791 791 GLU CA C 791 58.467 58.467 57.568 0.899 25871 230 1 . 1 1 791 791 GLU CB C 791 28.579 28.579 29.821 -1.242 25871 231 1 . 1 1 791 791 GLU H H 791 8.309 8.309 7.738 0.571 25871 232 1 . 1 1 792 792 PHE N N 792 119.966 119.966 122.292 -2.326 25871 233 1 . 1 1 792 792 PHE HA H 792 4.198 4.198 4.223 -0.025 25871 234 1 . 1 1 792 792 PHE CA C 792 61.619 61.619 60.675 0.944 25871 235 1 . 1 1 792 792 PHE CB C 792 38.465 38.465 39.145 -0.680 25871 236 1 . 1 1 792 792 PHE H H 792 8.835 8.835 8.565 0.270 25871 237 1 . 1 1 793 793 ALA N N 793 119.978 119.978 122.006 -2.028 25871 238 1 . 1 1 793 793 ALA HA H 793 3.906 3.906 3.615 0.291 25871 239 1 . 1 1 793 793 ALA CA C 793 55.020 55.020 55.135 -0.115 25871 240 1 . 1 1 793 793 ALA CB C 793 17.636 17.636 18.127 -0.491 25871 241 1 . 1 1 793 793 ALA H H 793 8.147 8.147 8.383 -0.236 25871 242 1 . 1 1 794 794 ARG N N 794 121.286 121.286 116.718 4.568 25871 243 1 . 1 1 794 794 ARG HA H 794 3.937 3.937 4.074 -0.138 25871 244 1 . 1 1 794 794 ARG CA C 794 59.636 59.636 58.157 1.479 25871 245 1 . 1 1 794 794 ARG CB C 794 30.257 30.257 29.904 0.353 25871 246 1 . 1 1 794 794 ARG H H 794 7.953 7.953 7.426 0.526 25871 247 1 . 1 1 795 795 ILE N N 795 121.594 121.594 121.037 0.557 25871 248 1 . 1 1 795 795 ILE HA H 795 3.311 3.311 3.461 -0.150 25871 249 1 . 1 1 795 795 ILE CA C 795 66.176 66.176 64.921 1.256 25871 250 1 . 1 1 795 795 ILE CB C 795 38.334 38.334 37.891 0.443 25871 251 1 . 1 1 795 795 ILE H H 795 8.091 8.091 7.333 0.758 25871 252 1 . 1 1 796 796 MET N N 796 118.593 118.593 117.362 1.231 25871 253 1 . 1 1 796 796 MET HA H 796 4.266 4.266 4.029 0.237 25871 254 1 . 1 1 796 796 MET CA C 796 56.204 56.204 59.044 -2.840 25871 255 1 . 1 1 796 796 MET CB C 796 29.453 29.453 31.752 -2.299 25871 256 1 . 1 1 796 796 MET H H 796 8.543 8.543 8.167 0.376 25871 257 1 . 1 1 797 797 SER N N 797 114.792 114.792 114.281 0.511 25871 258 1 . 1 1 797 797 SER HA H 797 4.131 4.131 4.258 -0.127 25871 259 1 . 1 1 797 797 SER CA C 797 61.233 61.233 61.392 -0.159 25871 260 1 . 1 1 797 797 SER CB C 797 63.017 63.017 62.997 0.020 25871 261 1 . 1 1 797 797 SER H H 797 7.740 7.740 7.539 0.201 25871 262 1 . 1 1 798 798 ILE N N 798 121.041 121.041 120.034 1.007 25871 263 1 . 1 1 798 798 ILE HA H 798 3.869 3.869 4.021 -0.152 25871 264 1 . 1 1 798 798 ILE CA C 798 63.939 63.939 63.679 0.260 25871 265 1 . 1 1 798 798 ILE CB C 798 38.891 38.891 38.957 -0.066 25871 266 1 . 1 1 798 798 ILE H H 798 7.352 7.352 7.602 -0.250 25871 267 1 . 1 1 799 799 VAL N N 799 110.418 110.418 111.855 -1.437 25871 268 1 . 1 1 799 799 VAL HA H 799 4.211 4.211 4.009 0.202 25871 269 1 . 1 1 799 799 VAL CA C 799 63.184 63.184 63.379 -0.195 25871 270 1 . 1 1 799 799 VAL CB C 799 32.410 32.410 32.318 0.091 25871 271 1 . 1 1 799 799 VAL H H 799 7.806 7.806 7.837 -0.031 25871 272 1 . 1 1 800 800 ASP N N 800 119.703 119.703 119.041 0.662 25871 273 1 . 1 1 800 800 ASP HA H 800 5.257 5.257 5.016 0.241 25871 274 1 . 1 1 800 800 ASP CA C 800 51.735 51.735 51.756 -0.021 25871 275 1 . 1 1 800 800 ASP CB C 800 41.334 41.334 41.585 -0.251 25871 276 1 . 1 1 800 800 ASP H H 800 8.124 8.124 7.536 0.588 25871 277 1 . 1 1 801 801 PRO HA H 801 4.360 4.360 4.555 -0.195 25871 278 1 . 1 1 801 801 PRO CA C 801 65.035 65.035 64.013 1.022 25871 279 1 . 1 1 801 801 PRO CB C 801 31.897 31.897 32.283 -0.386 25871 280 1 . 1 1 802 802 ASN N N 802 115.156 115.156 116.795 -1.639 25871 281 1 . 1 1 802 802 ASN HA H 802 4.779 4.779 4.657 0.122 25871 282 1 . 1 1 802 802 ASN CA C 802 53.228 53.228 53.189 0.039 25871 283 1 . 1 1 802 802 ASN CB C 802 38.214 38.214 38.582 -0.368 25871 284 1 . 1 1 802 802 ASN H H 802 8.967 8.967 7.917 1.050 25871 285 1 . 1 1 803 803 ARG N N 803 117.568 117.568 115.890 1.678 25871 286 1 . 1 1 803 803 ARG HA H 803 3.849 3.849 4.127 -0.278 25871 287 1 . 1 1 803 803 ARG CA C 803 56.976 56.976 56.532 0.444 25871 288 1 . 1 1 803 803 ARG CB C 803 26.440 26.440 26.935 -0.495 25871 289 1 . 1 1 803 803 ARG H H 803 8.013 8.013 7.827 0.186 25871 290 1 . 1 1 804 804 LEU N N 804 122.899 122.899 119.900 2.999 25871 291 1 . 1 1 804 804 LEU HA H 804 4.212 4.212 4.206 0.006 25871 292 1 . 1 1 804 804 LEU CA C 804 56.161 56.161 55.840 0.321 25871 293 1 . 1 1 804 804 LEU CB C 804 42.888 42.888 42.241 0.647 25871 294 1 . 1 1 804 804 LEU H H 804 10.338 10.338 8.784 1.554 25871 295 1 . 1 1 805 805 GLY N N 805 110.909 110.909 106.769 4.140 25871 296 1 . 1 1 805 805 GLY CA C 805 45.281 45.281 45.475 -0.194 25871 297 1 . 1 1 805 805 GLY H H 805 10.955 10.955 9.046 1.909 25871 298 1 . 1 1 806 806 VAL N N 806 111.683 111.683 113.539 -1.856 25871 299 1 . 1 1 806 806 VAL HA H 806 4.583 4.583 5.119 -0.536 25871 300 1 . 1 1 806 806 VAL CA C 806 59.415 59.415 59.572 -0.157 25871 301 1 . 1 1 806 806 VAL CB C 806 36.303 36.303 35.337 0.966 25871 302 1 . 1 1 806 806 VAL H H 806 6.806 6.806 7.433 -0.627 25871 303 1 . 1 1 807 807 VAL N N 807 123.649 123.649 120.274 3.375 25871 304 1 . 1 1 807 807 VAL HA H 807 4.186 4.186 4.416 -0.230 25871 305 1 . 1 1 807 807 VAL CA C 807 61.680 61.680 60.475 1.205 25871 306 1 . 1 1 807 807 VAL CB C 807 32.903 32.903 35.148 -2.245 25871 307 1 . 1 1 807 807 VAL H H 807 9.156 9.156 8.833 0.323 25871 308 1 . 1 1 808 808 THR N N 808 116.404 116.404 118.895 -2.491 25871 309 1 . 1 1 808 808 THR HA H 808 4.782 4.782 4.804 -0.022 25871 310 1 . 1 1 808 808 THR CA C 808 62.526 62.526 59.551 2.975 25871 311 1 . 1 1 808 808 THR CB C 808 69.707 69.707 71.024 -1.317 25871 312 1 . 1 1 808 808 THR H H 808 7.948 7.948 8.208 -0.260 25871 313 1 . 1 1 809 809 PHE N N 809 121.514 121.514 123.971 -2.457 25871 314 1 . 1 1 809 809 PHE HA H 809 3.502 3.502 4.453 -0.951 25871 315 1 . 1 1 809 809 PHE CA C 809 61.778 61.778 62.468 -0.690 25871 316 1 . 1 1 809 809 PHE CB C 809 38.435 38.435 38.944 -0.509 25871 317 1 . 1 1 809 809 PHE H H 809 8.528 8.528 8.265 0.263 25871 318 1 . 1 1 810 810 GLN N N 810 116.869 116.869 118.302 -1.433 25871 319 1 . 1 1 810 810 GLN HA H 810 3.621 3.621 3.679 -0.058 25871 320 1 . 1 1 810 810 GLN CA C 810 58.548 58.548 57.973 0.575 25871 321 1 . 1 1 810 810 GLN CB C 810 28.397 28.397 27.957 0.440 25871 322 1 . 1 1 810 810 GLN H H 810 8.638 8.638 8.219 0.419 25871 323 1 . 1 1 811 811 ALA N N 811 121.318 121.318 122.737 -1.419 25871 324 1 . 1 1 811 811 ALA HA H 811 4.148 4.148 3.990 0.158 25871 325 1 . 1 1 811 811 ALA CA C 811 55.089 55.089 54.589 0.500 25871 326 1 . 1 1 811 811 ALA CB C 811 19.240 19.240 18.629 0.611 25871 327 1 . 1 1 811 811 ALA H H 811 7.795 7.795 7.486 0.309 25871 328 1 . 1 1 812 812 PHE N N 812 119.498 119.498 116.445 3.053 25871 329 1 . 1 1 812 812 PHE HA H 812 4.177 4.177 3.856 0.321 25871 330 1 . 1 1 812 812 PHE CA C 812 60.497 60.497 59.349 1.148 25871 331 1 . 1 1 812 812 PHE CB C 812 39.026 39.026 38.654 0.372 25871 332 1 . 1 1 812 812 PHE H H 812 8.093 8.093 7.652 0.441 25871 333 1 . 1 1 813 813 ILE N N 813 119.554 119.554 118.118 1.436 25871 334 1 . 1 1 813 813 ILE HA H 813 3.145 3.145 2.623 0.522 25871 335 1 . 1 1 813 813 ILE CA C 813 62.176 62.176 62.880 -0.704 25871 336 1 . 1 1 813 813 ILE CB C 813 35.790 35.790 35.591 0.199 25871 337 1 . 1 1 813 813 ILE H H 813 8.316 8.316 6.485 1.831 25871 338 1 . 1 1 814 814 ASP N N 814 123.772 123.772 120.369 3.403 25871 339 1 . 1 1 814 814 ASP HA H 814 4.240 4.240 4.189 0.051 25871 340 1 . 1 1 814 814 ASP CA C 814 57.903 57.903 57.485 0.418 25871 341 1 . 1 1 814 814 ASP CB C 814 40.242 40.242 40.796 -0.554 25871 342 1 . 1 1 814 814 ASP H H 814 8.434 8.434 7.360 1.074 25871 343 1 . 1 1 815 815 PHE N N 815 121.079 121.079 115.803 5.276 25871 344 1 . 1 1 815 815 PHE HA H 815 4.173 4.173 4.474 -0.301 25871 345 1 . 1 1 815 815 PHE CA C 815 61.125 61.125 58.820 2.305 25871 346 1 . 1 1 815 815 PHE CB C 815 39.292 39.292 38.152 1.140 25871 347 1 . 1 1 815 815 PHE H H 815 7.904 7.904 6.998 0.906 25871 348 1 . 1 1 816 816 MET N N 816 117.231 117.231 121.288 -4.057 25871 349 1 . 1 1 816 816 MET HA H 816 3.864 3.864 4.401 -0.537 25871 350 1 . 1 1 816 816 MET CA C 816 55.934 55.934 57.446 -1.512 25871 351 1 . 1 1 816 816 MET CB C 816 30.451 30.451 31.239 -0.788 25871 352 1 . 1 1 816 816 MET H H 816 8.270 8.270 7.320 0.950 25871 353 1 . 1 1 817 817 SER N N 817 114.308 114.308 115.014 -0.706 25871 354 1 . 1 1 817 817 SER HA H 817 4.209 4.209 4.159 0.050 25871 355 1 . 1 1 817 817 SER CA C 817 60.410 60.410 60.775 -0.365 25871 356 1 . 1 1 817 817 SER CB C 817 63.328 63.328 62.863 0.465 25871 357 1 . 1 1 817 817 SER H H 817 8.100 8.100 7.844 0.256 25871 358 1 . 1 1 818 818 ARG N N 818 121.459 121.459 119.310 2.149 25871 359 1 . 1 1 818 818 ARG HA H 818 4.164 4.164 4.272 -0.108 25871 360 1 . 1 1 818 818 ARG CA C 818 57.468 57.468 58.107 -0.639 25871 361 1 . 1 1 818 818 ARG CB C 818 30.385 30.385 30.303 0.082 25871 362 1 . 1 1 818 818 ARG H H 818 7.329 7.329 7.679 -0.350 25871 363 1 . 1 1 819 819 GLU N N 819 119.944 119.944 118.911 1.033 25871 364 1 . 1 1 819 819 GLU HA H 819 4.164 4.164 4.318 -0.154 25871 365 1 . 1 1 819 819 GLU CA C 819 57.468 57.468 58.474 -1.006 25871 366 1 . 1 1 819 819 GLU CB C 819 30.526 30.526 29.544 0.982 25871 367 1 . 1 1 819 819 GLU H H 819 8.059 8.059 8.125 -0.066 25871 368 1 . 1 1 820 820 THR N N 820 112.658 112.658 113.768 -1.110 25871 369 1 . 1 1 820 820 THR HA H 820 4.309 4.309 4.303 0.006 25871 370 1 . 1 1 820 820 THR CA C 820 62.191 62.191 62.797 -0.606 25871 371 1 . 1 1 820 820 THR CB C 820 69.877 69.877 68.868 1.009 25871 372 1 . 1 1 820 820 THR H H 820 7.789 7.789 7.833 -0.044 25871 373 1 . 1 1 821 821 ALA N N 821 126.145 126.145 122.955 3.190 25871 374 1 . 1 1 821 821 ALA HA H 821 4.332 4.332 4.168 0.164 25871 375 1 . 1 1 821 821 ALA CA C 821 52.816 52.816 53.187 -0.371 25871 376 1 . 1 1 821 821 ALA CB C 821 19.459 19.459 18.518 0.941 25871 377 1 . 1 1 821 821 ALA H H 821 8.003 8.003 7.519 0.484 25871 378 1 . 1 1 822 822 ASP N N 822 120.003 120.003 118.091 1.912 25871 379 1 . 1 1 822 822 ASP HA H 822 4.642 4.642 4.706 -0.064 25871 380 1 . 1 1 822 822 ASP CA C 822 54.439 54.439 54.165 0.274 25871 381 1 . 1 1 822 822 ASP CB C 822 40.866 40.866 42.131 -1.265 25871 382 1 . 1 1 822 822 ASP H H 822 8.330 8.330 8.088 0.242 25871 383 1 . 1 1 823 823 THR N N 823 114.181 114.181 113.252 0.929 25871 384 1 . 1 1 823 823 THR HA H 823 4.304 4.304 4.465 -0.161 25871 385 1 . 1 1 823 823 THR CA C 823 62.284 62.284 61.249 1.035 25871 386 1 . 1 1 823 823 THR CB C 823 69.738 69.738 70.031 -0.293 25871 387 1 . 1 1 823 823 THR H H 823 8.093 8.093 7.955 0.138 25871 388 1 . 1 1 824 824 ASP N N 824 123.285 123.285 123.206 0.079 25871 389 1 . 1 1 824 824 ASP HA H 824 4.651 4.651 4.750 -0.099 25871 390 1 . 1 1 824 824 ASP CA C 824 54.595 54.595 53.835 0.760 25871 391 1 . 1 1 824 824 ASP CB C 824 41.145 41.145 42.459 -1.314 25871 392 1 . 1 1 824 824 ASP H H 824 8.426 8.426 8.339 0.087 25871 393 1 . 1 1 825 825 THR N N 825 114.970 114.970 114.215 0.755 25871 394 1 . 1 1 825 825 THR HA H 825 4.313 4.313 4.277 0.036 25871 395 1 . 1 1 825 825 THR CA C 825 62.329 62.329 63.220 -0.891 25871 396 1 . 1 1 825 825 THR CB C 825 69.541 69.541 69.624 -0.083 25871 397 1 . 1 1 825 825 THR H H 825 8.157 8.157 8.298 -0.141 25871 398 1 . 1 1 826 826 ALA N N 826 124.991 124.991 124.118 0.873 25871 399 1 . 1 1 826 826 ALA HA H 826 4.201 4.201 4.204 -0.003 25871 400 1 . 1 1 826 826 ALA CA C 826 54.473 54.473 54.433 0.040 25871 401 1 . 1 1 826 826 ALA CB C 826 18.696 18.696 18.587 0.109 25871 402 1 . 1 1 826 826 ALA H H 826 8.374 8.374 8.439 -0.065 25871 403 1 . 1 1 827 827 ASP N N 827 117.795 117.795 118.690 -0.895 25871 404 1 . 1 1 827 827 ASP HA H 827 4.462 4.462 4.339 0.123 25871 405 1 . 1 1 827 827 ASP CA C 827 56.151 56.151 57.152 -1.001 25871 406 1 . 1 1 827 827 ASP CB C 827 40.929 40.929 40.829 0.100 25871 407 1 . 1 1 827 827 ASP H H 827 8.255 8.255 8.341 -0.086 25871 408 1 . 1 1 828 828 GLN N N 828 120.646 120.646 118.638 2.008 25871 409 1 . 1 1 828 828 GLN HA H 828 4.121 4.121 3.991 0.130 25871 410 1 . 1 1 828 828 GLN CA C 828 57.950 57.950 58.754 -0.804 25871 411 1 . 1 1 828 828 GLN CB C 828 28.586 28.586 28.553 0.033 25871 412 1 . 1 1 828 828 GLN H H 828 8.086 8.086 7.745 0.341 25871 413 1 . 1 1 829 829 VAL N N 829 120.933 120.933 119.578 1.355 25871 414 1 . 1 1 829 829 VAL HA H 829 3.551 3.551 3.660 -0.109 25871 415 1 . 1 1 829 829 VAL CA C 829 65.321 65.321 64.733 0.588 25871 416 1 . 1 1 829 829 VAL CB C 829 31.750 31.750 31.758 -0.008 25871 417 1 . 1 1 829 829 VAL H H 829 8.048 8.048 7.516 0.532 25871 418 1 . 1 1 830 830 MET N N 830 119.386 119.386 120.751 -1.365 25871 419 1 . 1 1 830 830 MET HA H 830 4.030 4.030 4.456 -0.426 25871 420 1 . 1 1 830 830 MET CA C 830 58.013 58.013 58.677 -0.664 25871 421 1 . 1 1 830 830 MET CB C 830 32.110 32.110 32.502 -0.392 25871 422 1 . 1 1 830 830 MET H H 830 8.088 8.088 8.144 -0.056 25871 423 1 . 1 1 831 831 ALA N N 831 121.027 121.027 121.040 -0.013 25871 424 1 . 1 1 831 831 ALA HA H 831 4.075 4.075 4.004 0.071 25871 425 1 . 1 1 831 831 ALA CA C 831 54.619 54.619 55.338 -0.719 25871 426 1 . 1 1 831 831 ALA CB C 831 18.126 18.126 18.074 0.052 25871 427 1 . 1 1 831 831 ALA H H 831 7.829 7.829 8.419 -0.590 25871 428 1 . 1 1 832 832 SER N N 832 114.314 114.314 114.915 -0.601 25871 429 1 . 1 1 832 832 SER HA H 832 4.181 4.181 4.110 0.071 25871 430 1 . 1 1 832 832 SER CA C 832 61.039 61.039 61.548 -0.509 25871 431 1 . 1 1 832 832 SER CB C 832 62.671 62.671 62.719 -0.049 25871 432 1 . 1 1 832 832 SER H H 832 7.711 7.711 7.498 0.213 25871 433 1 . 1 1 833 833 PHE N N 833 121.898 121.898 121.103 0.795 25871 434 1 . 1 1 833 833 PHE HA H 833 4.230 4.230 4.145 0.085 25871 435 1 . 1 1 833 833 PHE CA C 833 58.434 58.434 59.684 -1.250 25871 436 1 . 1 1 833 833 PHE CB C 833 38.249 38.249 38.033 0.216 25871 437 1 . 1 1 833 833 PHE H H 833 7.717 7.717 7.324 0.393 25871 438 1 . 1 1 834 834 LYS N N 834 118.752 118.752 119.817 -1.065 25871 439 1 . 1 1 834 834 LYS HA H 834 3.622 3.622 3.992 -0.370 25871 440 1 . 1 1 834 834 LYS CA C 834 59.425 59.425 59.197 0.228 25871 441 1 . 1 1 834 834 LYS CB C 834 32.184 32.184 32.241 -0.057 25871 442 1 . 1 1 834 834 LYS H H 834 7.844 7.844 7.998 -0.154 25871 443 1 . 1 1 835 835 ILE N N 835 118.528 118.528 117.528 1.000 25871 444 1 . 1 1 835 835 ILE HA H 835 3.770 3.770 3.806 -0.036 25871 445 1 . 1 1 835 835 ILE CA C 835 63.719 63.719 64.291 -0.572 25871 446 1 . 1 1 835 835 ILE CB C 835 37.906 37.906 38.371 -0.465 25871 447 1 . 1 1 835 835 ILE H H 835 7.311 7.311 7.335 -0.024 25871 448 1 . 1 1 836 836 LEU N N 836 121.176 121.176 117.255 3.921 25871 449 1 . 1 1 836 836 LEU HA H 836 3.990 3.990 4.354 -0.364 25871 450 1 . 1 1 836 836 LEU CA C 836 57.166 57.166 56.857 0.309 25871 451 1 . 1 1 836 836 LEU CB C 836 42.496 42.496 41.919 0.577 25871 452 1 . 1 1 836 836 LEU H H 836 7.617 7.617 7.288 0.329 25871 453 1 . 1 1 837 837 ALA N N 837 119.189 119.189 120.604 -1.415 25871 454 1 . 1 1 837 837 ALA HA H 837 3.924 3.924 4.365 -0.441 25871 455 1 . 1 1 837 837 ALA CA C 837 53.417 53.417 52.085 1.332 25871 456 1 . 1 1 837 837 ALA CB C 837 19.392 19.392 18.278 1.114 25871 457 1 . 1 1 837 837 ALA H H 837 8.092 8.092 8.364 -0.272 25871 458 1 . 1 1 838 838 GLY N N 838 106.965 106.965 108.247 -1.282 25871 459 1 . 1 1 838 838 GLY CA C 838 47.029 47.029 46.988 0.041 25871 460 1 . 1 1 838 838 GLY H H 838 7.667 7.667 8.038 -0.371 25871 461 1 . 1 1 839 839 ASP N N 839 122.392 122.392 120.246 2.146 25871 462 1 . 1 1 839 839 ASP HA H 839 4.517 4.517 4.605 -0.088 25871 463 1 . 1 1 839 839 ASP CA C 839 54.581 54.581 55.291 -0.710 25871 464 1 . 1 1 839 839 ASP CB C 839 40.584 40.584 41.072 -0.488 25871 465 1 . 1 1 839 839 ASP H H 839 8.703 8.703 8.285 0.418 25871 466 1 . 1 1 840 840 LYS N N 840 117.603 117.603 117.326 0.277 25871 467 1 . 1 1 840 840 LYS HA H 840 4.332 4.332 4.649 -0.317 25871 468 1 . 1 1 840 840 LYS CA C 840 55.967 55.967 54.857 1.110 25871 469 1 . 1 1 840 840 LYS CB C 840 33.751 33.751 35.007 -1.256 25871 470 1 . 1 1 840 840 LYS H H 840 7.592 7.592 7.845 -0.254 25871 471 1 . 1 1 841 841 ASN N N 841 116.654 116.654 116.955 -0.301 25871 472 1 . 1 1 841 841 ASN HA H 841 4.642 4.642 4.938 -0.296 25871 473 1 . 1 1 841 841 ASN CA C 841 53.696 53.696 53.068 0.628 25871 474 1 . 1 1 841 841 ASN CB C 841 39.256 39.256 39.283 -0.027 25871 475 1 . 1 1 841 841 ASN H H 841 8.689 8.689 8.899 -0.210 25871 476 1 . 1 1 842 842 TYR N N 842 112.231 112.231 114.051 -1.820 25871 477 1 . 1 1 842 842 TYR HA H 842 5.013 5.013 4.915 0.098 25871 478 1 . 1 1 842 842 TYR CA C 842 55.133 55.133 57.022 -1.889 25871 479 1 . 1 1 842 842 TYR CB C 842 40.628 40.628 39.354 1.274 25871 480 1 . 1 1 842 842 TYR H H 842 6.638 6.638 7.282 -0.644 25871 481 1 . 1 1 843 843 ILE N N 843 115.455 115.455 118.788 -3.333 25871 482 1 . 1 1 843 843 ILE HA H 843 4.800 4.800 4.333 0.467 25871 483 1 . 1 1 843 843 ILE CA C 843 59.462 59.462 58.916 0.546 25871 484 1 . 1 1 843 843 ILE CB C 843 43.469 43.469 42.691 0.778 25871 485 1 . 1 1 843 843 ILE H H 843 8.626 8.626 9.040 -0.414 25871 486 1 . 1 1 844 844 THR N N 844 117.140 117.140 116.533 0.607 25871 487 1 . 1 1 844 844 THR HA H 844 5.393 5.393 5.163 0.230 25871 488 1 . 1 1 844 844 THR CA C 844 60.380 60.380 59.821 0.558 25871 489 1 . 1 1 844 844 THR CB C 844 71.475 71.475 71.090 0.385 25871 490 1 . 1 1 844 844 THR H H 844 9.329 9.329 8.333 0.996 25871 491 1 . 1 1 845 845 MET N N 845 119.879 119.879 119.581 0.298 25871 492 1 . 1 1 845 845 MET HA H 845 3.852 3.852 4.017 -0.165 25871 493 1 . 1 1 845 845 MET CA C 845 60.389 60.389 60.500 -0.111 25871 494 1 . 1 1 845 845 MET CB C 845 33.110 33.110 32.230 0.880 25871 495 1 . 1 1 845 845 MET H H 845 8.555 8.555 8.674 -0.119 25871 496 1 . 1 1 846 846 ASP N N 846 116.360 116.360 118.487 -2.127 25871 497 1 . 1 1 846 846 ASP HA H 846 4.310 4.310 4.396 -0.086 25871 498 1 . 1 1 846 846 ASP CA C 846 57.489 57.489 57.203 0.286 25871 499 1 . 1 1 846 846 ASP CB C 846 40.672 40.672 40.596 0.076 25871 500 1 . 1 1 846 846 ASP H H 846 8.375 8.375 8.440 -0.065 25871 501 1 . 1 1 847 847 GLU N N 847 120.575 120.575 119.148 1.427 25871 502 1 . 1 1 847 847 GLU HA H 847 3.886 3.886 4.072 -0.186 25871 503 1 . 1 1 847 847 GLU CA C 847 59.754 59.754 58.980 0.774 25871 504 1 . 1 1 847 847 GLU CB C 847 29.757 29.757 29.868 -0.111 25871 505 1 . 1 1 847 847 GLU H H 847 7.852 7.852 7.648 0.204 25871 506 1 . 1 1 848 848 LEU N N 848 118.753 118.753 117.877 0.876 25871 507 1 . 1 1 848 848 LEU HA H 848 3.860 3.860 4.230 -0.370 25871 508 1 . 1 1 848 848 LEU CA C 848 58.683 58.683 58.057 0.626 25871 509 1 . 1 1 848 848 LEU CB C 848 42.524 42.524 41.394 1.130 25871 510 1 . 1 1 848 848 LEU H H 848 7.834 7.834 8.059 -0.225 25871 511 1 . 1 1 849 849 ARG N N 849 113.976 113.976 118.385 -4.409 25871 512 1 . 1 1 849 849 ARG HA H 849 3.960 3.960 4.126 -0.166 25871 513 1 . 1 1 849 849 ARG CA C 849 58.596 58.596 58.485 0.111 25871 514 1 . 1 1 849 849 ARG CB C 849 30.145 30.145 30.034 0.111 25871 515 1 . 1 1 849 849 ARG H H 849 8.055 8.055 7.799 0.256 25871 516 1 . 1 1 850 850 ARG N N 850 118.184 118.184 118.354 -0.170 25871 517 1 . 1 1 850 850 ARG HA H 850 4.231 4.231 4.209 0.022 25871 518 1 . 1 1 850 850 ARG CA C 850 58.379 58.379 58.516 -0.137 25871 519 1 . 1 1 850 850 ARG CB C 850 31.113 31.113 29.767 1.346 25871 520 1 . 1 1 850 850 ARG H H 850 7.739 7.739 7.769 -0.030 25871 521 1 . 1 1 851 851 GLU N N 851 115.550 115.550 118.994 -3.444 25871 522 1 . 1 1 851 851 GLU HA H 851 4.380 4.380 4.272 0.108 25871 523 1 . 1 1 851 851 GLU CA C 851 56.994 56.994 58.133 -1.139 25871 524 1 . 1 1 851 851 GLU CB C 851 31.685 31.685 30.760 0.925 25871 525 1 . 1 1 851 851 GLU H H 851 7.591 7.591 7.672 -0.081 25871 526 1 . 1 1 852 852 LEU N N 852 119.170 119.170 119.655 -0.485 25871 527 1 . 1 1 852 852 LEU HA H 852 4.926 4.926 4.860 0.066 25871 528 1 . 1 1 852 852 LEU CA C 852 52.291 52.291 52.245 0.046 25871 529 1 . 1 1 852 852 LEU CB C 852 42.638 42.638 41.859 0.779 25871 530 1 . 1 1 852 852 LEU H H 852 7.891 7.891 7.613 0.278 25871 531 1 . 1 1 854 854 PRO HA H 854 4.305 4.305 4.574 -0.269 25871 532 1 . 1 1 854 854 PRO CA C 854 66.402 66.402 62.455 3.947 25871 533 1 . 1 1 854 854 PRO CB C 854 32.324 32.324 32.264 0.060 25871 534 1 . 1 1 855 855 ASP N N 855 114.853 114.853 118.503 -3.650 25871 535 1 . 1 1 855 855 ASP HA H 855 4.379 4.379 4.322 0.057 25871 536 1 . 1 1 855 855 ASP CA C 855 57.058 57.058 57.233 -0.175 25871 537 1 . 1 1 855 855 ASP CB C 855 39.239 39.239 40.075 -0.836 25871 538 1 . 1 1 855 855 ASP H H 855 8.796 8.796 8.620 0.176 25871 539 1 . 1 1 856 856 GLN N N 856 121.513 121.513 118.577 2.936 25871 540 1 . 1 1 856 856 GLN HA H 856 4.240 4.240 3.932 0.308 25871 541 1 . 1 1 856 856 GLN CA C 856 58.384 58.384 58.536 -0.152 25871 542 1 . 1 1 856 856 GLN CB C 856 29.343 29.343 27.853 1.489 25871 543 1 . 1 1 856 856 GLN H H 856 7.471 7.471 8.385 -0.914 25871 544 1 . 1 1 857 857 ALA N N 857 122.821 122.821 121.845 0.976 25871 545 1 . 1 1 857 857 ALA HA H 857 3.830 3.830 4.020 -0.190 25871 546 1 . 1 1 857 857 ALA CA C 857 56.405 56.405 55.844 0.561 25871 547 1 . 1 1 857 857 ALA CB C 857 17.984 17.984 18.243 -0.259 25871 548 1 . 1 1 857 857 ALA H H 857 8.889 8.889 8.208 0.681 25871 549 1 . 1 1 858 858 GLU N N 858 114.091 114.091 119.325 -5.234 25871 550 1 . 1 1 858 858 GLU HA H 858 4.056 4.056 4.066 -0.010 25871 551 1 . 1 1 858 858 GLU CA C 858 58.781 58.781 59.505 -0.724 25871 552 1 . 1 1 858 858 GLU CB C 858 28.667 28.667 29.537 -0.870 25871 553 1 . 1 1 858 858 GLU H H 858 8.143 8.143 7.842 0.301 25871 554 1 . 1 1 859 859 TYR N N 859 120.670 120.670 119.021 1.649 25871 555 1 . 1 1 859 859 TYR HA H 859 4.127 4.127 4.269 -0.141 25871 556 1 . 1 1 859 859 TYR CA C 859 61.148 61.148 61.112 0.036 25871 557 1 . 1 1 859 859 TYR CB C 859 38.738 38.738 37.894 0.844 25871 558 1 . 1 1 859 859 TYR H H 859 7.708 7.708 8.740 -1.032 25871 559 1 . 1 1 860 860 CYS N N 860 115.848 115.848 118.870 -3.022 25871 560 1 . 1 1 860 860 CYS HA H 860 4.188 4.188 4.020 0.168 25871 561 1 . 1 1 860 860 CYS CA C 860 64.438 64.438 64.117 0.321 25871 562 1 . 1 1 860 860 CYS CB C 860 27.465 27.465 27.422 0.043 25871 563 1 . 1 1 860 860 CYS H H 860 8.119 8.119 7.978 0.142 25871 564 1 . 1 1 861 861 ILE N N 861 120.124 120.124 120.801 -0.677 25871 565 1 . 1 1 861 861 ILE HA H 861 3.364 3.364 3.554 -0.190 25871 566 1 . 1 1 861 861 ILE CA C 861 65.732 65.732 65.698 0.034 25871 567 1 . 1 1 861 861 ILE CB C 861 38.722 38.722 37.715 1.007 25871 568 1 . 1 1 861 861 ILE H H 861 8.451 8.451 8.320 0.131 25871 569 1 . 1 1 862 862 ALA N N 862 116.691 116.691 119.714 -3.023 25871 570 1 . 1 1 862 862 ALA HA H 862 4.250 4.250 4.055 0.195 25871 571 1 . 1 1 862 862 ALA CA C 862 53.428 53.428 53.997 -0.569 25871 572 1 . 1 1 862 862 ALA CB C 862 19.075 19.075 18.401 0.674 25871 573 1 . 1 1 862 862 ALA H H 862 7.304 7.304 8.014 -0.710 25871 574 1 . 1 1 863 863 ARG N N 863 117.259 117.259 115.963 1.296 25871 575 1 . 1 1 863 863 ARG HA H 863 4.292 4.292 4.162 0.130 25871 576 1 . 1 1 863 863 ARG CA C 863 56.439 56.439 55.640 0.798 25871 577 1 . 1 1 863 863 ARG CB C 863 31.458 31.458 31.422 0.036 25871 578 1 . 1 1 863 863 ARG H H 863 7.357 7.357 7.441 -0.084 25871 579 1 . 1 1 864 864 MET N N 864 117.570 117.570 119.376 -1.806 25871 580 1 . 1 1 864 864 MET HA H 864 4.598 4.598 4.106 0.492 25871 581 1 . 1 1 864 864 MET CA C 864 55.180 55.180 56.482 -1.302 25871 582 1 . 1 1 864 864 MET CB C 864 37.428 37.428 33.863 3.565 25871 583 1 . 1 1 864 864 MET H H 864 7.147 7.147 7.767 -0.620 25871 584 1 . 1 1 865 865 ALA N N 865 124.616 124.616 125.736 -1.120 25871 585 1 . 1 1 865 865 ALA HA H 865 3.933 3.933 4.907 -0.974 25871 586 1 . 1 1 865 865 ALA CA C 865 49.280 49.280 49.648 -0.368 25871 587 1 . 1 1 865 865 ALA CB C 865 18.649 18.649 18.692 -0.043 25871 588 1 . 1 1 865 865 ALA H H 865 8.548 8.548 8.464 0.084 25871 589 1 . 1 1 866 866 PRO HA H 866 4.519 4.519 4.515 0.004 25871 590 1 . 1 1 866 866 PRO CA C 866 62.821 62.821 62.504 0.317 25871 591 1 . 1 1 866 866 PRO CB C 866 31.991 31.991 32.403 -0.412 25871 592 1 . 1 1 867 867 TYR N N 867 122.454 122.454 123.228 -0.774 25871 593 1 . 1 1 867 867 TYR HA H 867 4.155 4.155 4.654 -0.499 25871 594 1 . 1 1 867 867 TYR CA C 867 56.951 56.951 57.798 -0.847 25871 595 1 . 1 1 867 867 TYR CB C 867 43.347 43.347 40.936 2.411 25871 596 1 . 1 1 867 867 TYR H H 867 8.127 8.127 8.202 -0.075 25871 597 1 . 1 1 869 869 GLY N N 869 105.881 105.881 110.175 -4.294 25871 598 1 . 1 1 869 869 GLY CA C 869 45.090 45.090 43.283 1.807 25871 599 1 . 1 1 869 869 GLY H H 869 5.440 5.440 6.712 -1.272 25871 600 1 . 1 1 870 870 PRO HA H 870 4.361 4.361 4.365 -0.004 25871 601 1 . 1 1 870 870 PRO CA C 870 64.841 64.841 64.501 0.341 25871 602 1 . 1 1 870 870 PRO CB C 870 31.630 31.630 32.009 -0.379 25871 603 1 . 1 1 871 871 ASP N N 871 116.217 116.217 119.418 -3.201 25871 604 1 . 1 1 871 871 ASP HA H 871 4.636 4.636 4.913 -0.277 25871 605 1 . 1 1 871 871 ASP CA C 871 52.950 52.950 53.404 -0.454 25871 606 1 . 1 1 871 871 ASP CB C 871 39.150 39.150 40.937 -1.787 25871 607 1 . 1 1 871 871 ASP H H 871 9.263 9.263 8.154 1.109 25871 608 1 . 1 1 872 872 SER N N 872 112.352 112.352 115.530 -3.178 25871 609 1 . 1 1 872 872 SER HA H 872 3.530 3.530 4.365 -0.835 25871 610 1 . 1 1 872 872 SER CA C 872 59.184 59.184 58.926 0.258 25871 611 1 . 1 1 872 872 SER CB C 872 63.286 63.286 64.225 -0.939 25871 612 1 . 1 1 872 872 SER H H 872 7.487 7.487 7.606 -0.119 25871 613 1 . 1 1 873 873 VAL N N 873 113.588 113.588 114.785 -1.197 25871 614 1 . 1 1 873 873 VAL HA H 873 4.753 4.753 4.636 0.117 25871 615 1 . 1 1 873 873 VAL CA C 873 58.068 58.068 58.188 -0.120 25871 616 1 . 1 1 873 873 VAL CB C 873 32.917 32.917 33.095 -0.178 25871 617 1 . 1 1 873 873 VAL H H 873 6.411 6.411 7.805 -1.394 25871 618 1 . 1 1 874 874 PRO HA H 874 4.330 4.330 4.407 -0.077 25871 619 1 . 1 1 874 874 PRO CA C 874 64.310 64.310 64.511 -0.201 25871 620 1 . 1 1 874 874 PRO CB C 874 31.623 31.623 31.459 0.164 25871 621 1 . 1 1 875 875 GLY N N 875 112.109 112.109 106.696 5.413 25871 622 1 . 1 1 875 875 GLY CA C 875 45.492 45.492 44.259 1.233 25871 623 1 . 1 1 875 875 GLY H H 875 8.798 8.798 8.167 0.631 25871 624 1 . 1 1 876 876 ALA N N 876 120.267 120.267 124.077 -3.810 25871 625 1 . 1 1 876 876 ALA HA H 876 4.137 4.137 5.262 -1.125 25871 626 1 . 1 1 876 876 ALA CA C 876 53.263 53.263 50.932 2.331 25871 627 1 . 1 1 876 876 ALA CB C 876 20.554 20.554 20.956 -0.402 25871 628 1 . 1 1 876 876 ALA H H 876 7.762 7.762 7.750 0.012 25871 629 1 . 1 1 877 877 LEU N N 877 125.696 125.696 122.722 2.974 25871 630 1 . 1 1 877 877 LEU HA H 877 4.804 4.804 5.064 -0.260 25871 631 1 . 1 1 877 877 LEU CA C 877 54.292 54.292 53.932 0.360 25871 632 1 . 1 1 877 877 LEU CB C 877 44.841 44.841 46.629 -1.788 25871 633 1 . 1 1 877 877 LEU H H 877 9.598 9.598 9.372 0.226 25871 634 1 . 1 1 878 878 ASP N N 878 119.836 119.836 122.866 -3.030 25871 635 1 . 1 1 878 878 ASP HA H 878 4.919 4.919 5.052 -0.133 25871 636 1 . 1 1 878 878 ASP CA C 878 52.130 52.130 52.922 -0.792 25871 637 1 . 1 1 878 878 ASP CB C 878 40.798 40.798 42.084 -1.286 25871 638 1 . 1 1 878 878 ASP H H 878 9.028 9.028 8.699 0.329 25871 639 1 . 1 1 879 879 TYR N N 879 126.600 126.600 124.577 2.023 25871 640 1 . 1 1 879 879 TYR HA H 879 4.618 4.618 4.294 0.324 25871 641 1 . 1 1 879 879 TYR CA C 879 59.557 59.557 59.823 -0.266 25871 642 1 . 1 1 879 879 TYR CB C 879 37.524 37.524 38.239 -0.715 25871 643 1 . 1 1 879 879 TYR H H 879 7.454 7.454 8.120 -0.666 25871 644 1 . 1 1 880 880 MET N N 880 119.910 119.910 118.141 1.769 25871 645 1 . 1 1 880 880 MET HA H 880 4.619 4.619 3.726 0.893 25871 646 1 . 1 1 880 880 MET CA C 880 56.205 56.205 57.414 -1.209 25871 647 1 . 1 1 880 880 MET CB C 880 32.338 32.338 31.769 0.569 25871 648 1 . 1 1 880 880 MET H H 880 7.620 7.620 7.406 0.214 25871 649 1 . 1 1 881 881 SER N N 881 114.353 114.353 113.589 0.764 25871 650 1 . 1 1 881 881 SER HA H 881 4.501 4.501 4.396 0.106 25871 651 1 . 1 1 881 881 SER CA C 881 58.957 58.957 59.297 -0.340 25871 652 1 . 1 1 881 881 SER CB C 881 64.284 64.284 63.227 1.057 25871 653 1 . 1 1 881 881 SER H H 881 7.721 7.721 7.917 -0.196 25871 654 1 . 1 1 882 882 PHE N N 882 122.746 122.746 124.218 -1.472 25871 655 1 . 1 1 882 882 PHE HA H 882 4.749 4.749 4.647 0.102 25871 656 1 . 1 1 882 882 PHE CA C 882 59.451 59.451 60.158 -0.707 25871 657 1 . 1 1 882 882 PHE CB C 882 40.296 40.296 38.740 1.556 25871 658 1 . 1 1 882 882 PHE H H 882 7.386 7.386 7.722 -0.336 25871 659 1 . 1 1 883 883 SER N N 883 120.214 120.214 113.850 6.364 25871 660 1 . 1 1 883 883 SER HA H 883 4.338 4.338 3.881 0.457 25871 661 1 . 1 1 883 883 SER CA C 883 57.455 57.455 60.684 -3.229 25871 662 1 . 1 1 883 883 SER CB C 883 64.684 64.684 62.934 1.750 25871 663 1 . 1 1 883 883 SER H H 883 7.464 7.464 8.438 -0.974 25871 664 1 . 1 1 884 884 THR N N 884 110.671 110.671 111.332 -0.661 25871 665 1 . 1 1 884 884 THR HA H 884 4.008 4.008 4.370 -0.362 25871 666 1 . 1 1 884 884 THR CA C 884 63.367 63.367 61.708 1.659 25871 667 1 . 1 1 884 884 THR CB C 884 69.088 69.088 70.021 -0.933 25871 668 1 . 1 1 884 884 THR H H 884 7.993 7.993 7.638 0.355 25871 669 1 . 1 1 885 885 ALA N N 885 125.453 125.453 124.130 1.323 25871 670 1 . 1 1 885 885 ALA HA H 885 4.270 4.270 4.704 -0.434 25871 671 1 . 1 1 885 885 ALA CA C 885 52.160 52.160 52.087 0.073 25871 672 1 . 1 1 885 885 ALA CB C 885 19.310 19.310 21.043 -1.733 25871 673 1 . 1 1 885 885 ALA H H 885 7.905 7.905 7.506 0.399 25871 674 1 . 1 1 886 886 LEU N N 886 120.791 120.791 119.309 1.482 25871 675 1 . 1 1 886 886 LEU HA H 886 4.047 4.047 5.563 -1.516 25871 676 1 . 1 1 886 886 LEU CA C 886 55.496 55.496 53.974 1.522 25871 677 1 . 1 1 886 886 LEU CB C 886 42.339 42.339 45.180 -2.841 25871 678 1 . 1 1 886 886 LEU H H 886 8.087 8.087 8.196 -0.109 25871 679 1 . 1 1 887 887 TYR N N 887 121.620 121.620 117.367 4.253 25871 680 1 . 1 1 887 887 TYR HA H 887 4.403 4.403 4.963 -0.560 25871 681 1 . 1 1 887 887 TYR CA C 887 58.794 58.794 57.232 1.562 25871 682 1 . 1 1 887 887 TYR CB C 887 38.621 38.621 39.306 -0.685 25871 683 1 . 1 1 887 887 TYR H H 887 8.272 8.272 8.165 0.107 25871 684 1 . 1 1 888 888 GLY N N 888 112.443 112.443 108.973 3.470 25871 685 1 . 1 1 888 888 GLY CA C 888 45.195 45.195 44.728 0.467 25871 686 1 . 1 1 888 888 GLY H H 888 8.087 8.087 7.894 0.193 25871 687 1 . 1 1 889 889 GLU N N 889 120.272 120.272 119.749 0.523 25871 688 1 . 1 1 889 889 GLU HA H 889 4.295 4.295 4.403 -0.108 25871 689 1 . 1 1 889 889 GLU CA C 889 56.593 56.593 56.345 0.248 25871 690 1 . 1 1 889 889 GLU CB C 889 30.601 30.601 30.692 -0.092 25871 691 1 . 1 1 889 889 GLU H H 889 7.991 7.991 7.946 0.045 25871 692 1 . 1 1 890 890 SER N N 890 116.330 116.330 117.083 -0.753 25871 693 1 . 1 1 890 890 SER HA H 890 4.452 4.452 4.602 -0.150 25871 694 1 . 1 1 890 890 SER CA C 890 58.334 58.334 58.203 0.131 25871 695 1 . 1 1 890 890 SER CB C 890 64.174 64.174 64.368 -0.194 25871 696 1 . 1 1 890 890 SER H H 890 8.325 8.325 8.273 0.052 25871 697 1 . 1 1 891 891 ASP N N 891 122.987 122.987 120.734 2.253 25871 698 1 . 1 1 891 891 ASP HA H 891 4.652 4.652 4.707 -0.055 25871 699 1 . 1 1 891 891 ASP CA C 891 54.534 54.534 54.708 -0.174 25871 700 1 . 1 1 891 891 ASP CB C 891 40.981 40.981 40.822 0.159 25871 701 1 . 1 1 891 891 ASP H H 891 8.387 8.387 8.423 -0.036 25871 stop_ save_