data_25870 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25870 _Entry.PDB_ID 2N8Y 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 25870 _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 1 742 742 SER HA H 742 4.525 4.525 4.043 0.482 25870 2 1 1 . 1 1 742 742 SER CA C 742 58.148 58.148 60.618 -2.470 25870 3 1 1 . 1 1 742 742 SER CB C 742 63.791 63.791 62.477 1.314 25870 4 1 1 . 1 1 743 743 ILE N N 743 122.172 122.172 122.425 -0.253 25870 5 1 1 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.014 0.348 25870 6 1 1 . 1 1 743 743 ILE CA C 743 60.421 60.421 62.151 -1.730 25870 7 1 1 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.582 0.584 25870 8 1 1 . 1 1 743 743 ILE H H 743 8.132 8.132 8.249 -0.117 25870 9 1 1 . 1 1 744 744 SER N N 744 123.144 123.144 120.849 2.295 25870 10 1 1 . 1 1 744 744 SER HA H 744 4.449 4.449 4.562 -0.113 25870 11 1 1 . 1 1 744 744 SER CA C 744 57.463 57.463 56.840 0.623 25870 12 1 1 . 1 1 744 744 SER CB C 744 65.219 65.219 64.776 0.443 25870 13 1 1 . 1 1 744 744 SER H H 744 8.848 8.848 8.488 0.360 25870 14 1 1 . 1 1 745 745 GLN N N 745 121.619 121.619 124.072 -2.453 25870 15 1 1 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.106 -0.154 25870 16 1 1 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.188 -0.420 25870 17 1 1 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.711 -0.199 25870 18 1 1 . 1 1 745 745 GLN H H 745 9.042 9.042 8.995 0.047 25870 19 1 1 . 1 1 746 746 GLU N N 746 118.648 118.648 119.671 -1.023 25870 20 1 1 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.133 -0.129 25870 21 1 1 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.948 1.275 25870 22 1 1 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.475 -0.621 25870 23 1 1 . 1 1 746 746 GLU H H 746 8.721 8.721 7.816 0.905 25870 24 1 1 . 1 1 747 747 GLN N N 747 120.463 120.463 120.203 0.260 25870 25 1 1 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.397 -0.631 25870 26 1 1 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.866 -0.560 25870 27 1 1 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.215 0.733 25870 28 1 1 . 1 1 747 747 GLN H H 747 7.838 7.838 8.445 -0.607 25870 29 1 1 . 1 1 748 748 MET N N 748 119.252 119.252 115.478 3.774 25870 30 1 1 . 1 1 748 748 MET HA H 748 4.200 4.200 4.447 -0.247 25870 31 1 1 . 1 1 748 748 MET CA C 748 58.096 58.096 59.273 -1.177 25870 32 1 1 . 1 1 748 748 MET CB C 748 30.900 30.900 32.350 -1.450 25870 33 1 1 . 1 1 748 748 MET H H 748 8.473 8.473 8.269 0.204 25870 34 1 1 . 1 1 749 749 ASN N N 749 117.740 117.740 118.612 -0.872 25870 35 1 1 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.483 -0.009 25870 36 1 1 . 1 1 749 749 ASN CA C 749 55.795 55.795 56.067 -0.272 25870 37 1 1 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.700 -1.287 25870 38 1 1 . 1 1 749 749 ASN H H 749 8.334 8.334 7.670 0.664 25870 39 1 1 . 1 1 750 750 GLU N N 750 122.848 122.848 119.400 3.448 25870 40 1 1 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.160 0.044 25870 41 1 1 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.437 0.904 25870 42 1 1 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.612 -0.428 25870 43 1 1 . 1 1 750 750 GLU H H 750 7.838 7.838 8.421 -0.583 25870 44 1 1 . 1 1 751 751 PHE N N 751 120.177 120.177 123.178 -3.001 25870 45 1 1 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.386 0.635 25870 46 1 1 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.633 -1.280 25870 47 1 1 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.430 -1.633 25870 48 1 1 . 1 1 751 751 PHE H H 751 8.785 8.785 8.722 0.063 25870 49 1 1 . 1 1 752 752 ARG N N 752 120.528 120.528 120.197 0.331 25870 50 1 1 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.953 0.207 25870 51 1 1 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.317 1.387 25870 52 1 1 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.633 1.335 25870 53 1 1 . 1 1 752 752 ARG H H 752 9.016 9.016 8.077 0.939 25870 54 1 1 . 1 1 753 753 ALA N N 753 121.112 121.112 122.691 -1.579 25870 55 1 1 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.483 -0.238 25870 56 1 1 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.538 0.792 25870 57 1 1 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.895 -0.072 25870 58 1 1 . 1 1 753 753 ALA H H 753 8.100 8.100 7.843 0.257 25870 59 1 1 . 1 1 754 754 SER N N 754 115.589 115.589 115.287 0.302 25870 60 1 1 . 1 1 754 754 SER HA H 754 4.452 4.452 4.285 0.167 25870 61 1 1 . 1 1 754 754 SER CA C 754 62.675 62.675 60.668 2.007 25870 62 1 1 . 1 1 754 754 SER CB C 754 63.359 63.359 62.473 0.886 25870 63 1 1 . 1 1 754 754 SER H H 754 8.391 8.391 7.840 0.551 25870 64 1 1 . 1 1 755 755 PHE N N 755 121.886 121.886 118.349 3.537 25870 65 1 1 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.907 -0.265 25870 66 1 1 . 1 1 755 755 PHE CA C 755 61.964 61.964 58.940 3.024 25870 67 1 1 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.240 1.582 25870 68 1 1 . 1 1 755 755 PHE H H 755 8.675 8.675 7.648 1.027 25870 69 1 1 . 1 1 756 756 ASN N N 756 113.618 113.618 113.071 0.547 25870 70 1 1 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.110 0.317 25870 71 1 1 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.269 3.342 25870 72 1 1 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.916 -1.079 25870 73 1 1 . 1 1 756 756 ASN H H 756 8.593 8.593 7.596 0.997 25870 74 1 1 . 1 1 757 757 HIS N N 757 119.679 119.679 120.960 -1.281 25870 75 1 1 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.272 -0.193 25870 76 1 1 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.462 0.883 25870 77 1 1 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.203 -0.314 25870 78 1 1 . 1 1 757 757 HIS H H 757 8.139 8.139 7.634 0.505 25870 79 1 1 . 1 1 758 758 PHE N N 758 113.051 113.051 116.781 -3.730 25870 80 1 1 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.404 -0.343 25870 81 1 1 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.090 2.607 25870 82 1 1 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.356 -1.621 25870 83 1 1 . 1 1 758 758 PHE H H 758 7.585 7.585 7.460 0.125 25870 84 1 1 . 1 1 759 759 ASP N N 759 120.916 120.916 121.627 -0.711 25870 85 1 1 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.457 0.052 25870 86 1 1 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.916 -2.745 25870 87 1 1 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.980 -2.971 25870 88 1 1 . 1 1 759 759 ASP H H 759 7.423 7.423 8.085 -0.662 25870 89 1 1 . 1 1 760 760 ARG N N 760 124.819 124.819 125.658 -0.839 25870 90 1 1 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.067 -0.299 25870 91 1 1 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.726 -0.451 25870 92 1 1 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.658 -0.409 25870 93 1 1 . 1 1 760 760 ARG H H 760 7.781 7.781 8.287 -0.506 25870 94 1 1 . 1 1 761 761 ASP N N 761 113.673 113.673 113.676 -0.003 25870 95 1 1 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.703 -0.220 25870 96 1 1 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.508 -1.531 25870 97 1 1 . 1 1 761 761 ASP CB C 761 39.522 39.522 40.761 -1.239 25870 98 1 1 . 1 1 761 761 ASP H H 761 7.821 7.821 8.080 -0.259 25870 99 1 1 . 1 1 762 762 HIS N N 762 114.966 114.966 116.607 -1.641 25870 100 1 1 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.227 -0.066 25870 101 1 1 . 1 1 762 762 HIS CA C 762 56.618 56.618 57.014 -0.396 25870 102 1 1 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.913 -2.533 25870 103 1 1 . 1 1 762 762 HIS H H 762 7.744 7.744 7.881 -0.137 25870 104 1 1 . 1 1 763 763 SER N N 763 115.077 115.077 113.878 1.199 25870 105 1 1 . 1 1 763 763 SER HA H 763 4.336 4.336 4.353 -0.017 25870 106 1 1 . 1 1 763 763 SER CA C 763 59.860 59.860 59.904 -0.043 25870 107 1 1 . 1 1 763 763 SER CB C 763 65.192 65.192 64.066 1.126 25870 108 1 1 . 1 1 763 763 SER H H 763 8.726 8.726 8.799 -0.073 25870 109 1 1 . 1 1 764 764 GLY N N 764 116.915 116.915 110.316 6.599 25870 110 1 1 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.563 -0.114 25870 111 1 1 . 1 1 764 764 GLY H H 764 11.017 11.017 8.852 2.165 25870 112 1 1 . 1 1 765 765 THR N N 765 107.334 107.334 110.693 -3.359 25870 113 1 1 . 1 1 765 765 THR HA H 765 4.829 4.829 5.192 -0.363 25870 114 1 1 . 1 1 765 765 THR CA C 765 58.759 58.759 60.783 -2.024 25870 115 1 1 . 1 1 765 765 THR CB C 765 73.383 73.383 71.979 1.404 25870 116 1 1 . 1 1 765 765 THR H H 765 7.693 7.693 8.009 -0.316 25870 117 1 1 . 1 1 766 766 LEU N N 766 124.664 124.664 124.133 0.531 25870 118 1 1 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.665 0.235 25870 119 1 1 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.703 -1.363 25870 120 1 1 . 1 1 766 766 LEU CB C 766 42.339 42.339 42.725 -0.386 25870 121 1 1 . 1 1 766 766 LEU H H 766 9.209 9.209 8.728 0.481 25870 122 1 1 . 1 1 767 767 GLY N N 767 112.024 112.024 112.229 -0.205 25870 123 1 1 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.969 0.154 25870 124 1 1 . 1 1 767 767 GLY H H 767 8.910 8.910 8.992 -0.082 25870 125 1 1 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.558 -0.240 25870 126 1 1 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.228 0.899 25870 127 1 1 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.216 -0.187 25870 128 1 1 . 1 1 769 769 GLU N N 769 115.246 115.246 117.694 -2.448 25870 129 1 1 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.033 -0.062 25870 130 1 1 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.861 0.760 25870 131 1 1 . 1 1 769 769 GLU CB C 769 28.628 28.628 29.172 -0.544 25870 132 1 1 . 1 1 769 769 GLU H H 769 8.622 8.622 8.979 -0.357 25870 133 1 1 . 1 1 770 770 GLU N N 770 121.127 121.127 118.399 2.728 25870 134 1 1 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.177 0.095 25870 135 1 1 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.612 -0.115 25870 136 1 1 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.800 1.572 25870 137 1 1 . 1 1 770 770 GLU H H 770 7.493 7.493 8.137 -0.644 25870 138 1 1 . 1 1 771 771 PHE N N 771 117.688 117.688 121.948 -4.260 25870 139 1 1 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.276 0.079 25870 140 1 1 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.648 -2.023 25870 141 1 1 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.441 -0.631 25870 142 1 1 . 1 1 771 771 PHE H H 771 9.110 9.110 8.884 0.226 25870 143 1 1 . 1 1 772 772 LYS N N 772 119.789 119.789 118.492 1.297 25870 144 1 1 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.636 -0.323 25870 145 1 1 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.292 2.380 25870 146 1 1 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.817 1.162 25870 147 1 1 . 1 1 772 772 LYS H H 772 8.594 8.594 8.057 0.537 25870 148 1 1 . 1 1 773 773 ALA N N 773 118.461 118.461 120.705 -2.244 25870 149 1 1 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.004 -0.123 25870 150 1 1 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.829 1.184 25870 151 1 1 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.850 -1.221 25870 152 1 1 . 1 1 773 773 ALA H H 773 7.231 7.231 7.455 -0.224 25870 153 1 1 . 1 1 774 774 CYS N N 774 120.913 120.913 119.281 1.632 25870 154 1 1 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.875 -0.440 25870 155 1 1 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.410 -0.236 25870 156 1 1 . 1 1 774 774 CYS CB C 774 26.215 26.215 26.308 -0.094 25870 157 1 1 . 1 1 774 774 CYS H H 774 7.498 7.498 7.718 -0.220 25870 158 1 1 . 1 1 775 775 LEU N N 775 119.201 119.201 118.645 0.556 25870 159 1 1 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.541 0.225 25870 160 1 1 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.167 1.765 25870 161 1 1 . 1 1 775 775 LEU CB C 775 40.950 40.950 40.980 -0.029 25870 162 1 1 . 1 1 775 775 LEU H H 775 8.372 8.372 7.563 0.809 25870 163 1 1 . 1 1 776 776 ILE N N 776 121.051 121.051 118.344 2.707 25870 164 1 1 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.518 1.572 25870 165 1 1 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.180 1.064 25870 166 1 1 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.170 0.821 25870 167 1 1 . 1 1 776 776 ILE H H 776 8.358 8.358 6.649 1.709 25870 168 1 1 . 1 1 777 777 SER N N 777 119.109 119.109 113.956 5.153 25870 169 1 1 . 1 1 777 777 SER HA H 777 4.291 4.291 4.217 0.074 25870 170 1 1 . 1 1 777 777 SER CA C 777 61.725 61.725 60.329 1.396 25870 171 1 1 . 1 1 777 777 SER CB C 777 62.995 62.995 63.052 -0.057 25870 172 1 1 . 1 1 777 777 SER H H 777 7.822 7.822 7.323 0.499 25870 173 1 1 . 1 1 778 778 LEU N N 778 121.208 121.208 117.233 3.975 25870 174 1 1 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.389 0.117 25870 175 1 1 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.793 1.206 25870 176 1 1 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.524 0.146 25870 177 1 1 . 1 1 778 778 LEU H H 778 7.671 7.671 7.096 0.575 25870 178 1 1 . 1 1 779 779 GLY N N 779 106.232 106.232 107.164 -0.932 25870 179 1 1 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.041 0.246 25870 180 1 1 . 1 1 779 779 GLY H H 779 7.897 7.897 7.213 0.684 25870 181 1 1 . 1 1 780 780 TYR N N 780 120.772 120.772 117.785 2.987 25870 182 1 1 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.552 -0.410 25870 183 1 1 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.034 4.197 25870 184 1 1 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.519 -0.178 25870 185 1 1 . 1 1 780 780 TYR H H 780 8.072 8.072 7.375 0.697 25870 186 1 1 . 1 1 781 781 ASP N N 781 124.304 124.304 117.832 6.472 25870 187 1 1 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.660 0.005 25870 188 1 1 . 1 1 781 781 ASP CA C 781 53.148 53.148 54.006 -0.858 25870 189 1 1 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.574 -0.770 25870 190 1 1 . 1 1 781 781 ASP H H 781 8.862 8.862 9.118 -0.256 25870 191 1 1 . 1 1 782 782 ILE N N 782 122.271 122.271 113.199 9.072 25870 192 1 1 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.358 -0.017 25870 193 1 1 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.089 -0.097 25870 194 1 1 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.137 -2.230 25870 195 1 1 . 1 1 782 782 ILE H H 782 7.344 7.344 6.913 0.431 25870 196 1 1 . 1 1 783 783 GLY N N 783 112.322 112.322 106.929 5.393 25870 197 1 1 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.274 0.249 25870 198 1 1 . 1 1 783 783 GLY H H 783 8.122 8.122 7.987 0.135 25870 199 1 1 . 1 1 784 784 ASN N N 784 118.727 118.727 119.805 -1.078 25870 200 1 1 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.729 0.153 25870 201 1 1 . 1 1 784 784 ASN CA C 784 52.098 52.098 52.748 -0.650 25870 202 1 1 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.069 -0.645 25870 203 1 1 . 1 1 784 784 ASN H H 784 8.452 8.452 8.643 -0.191 25870 204 1 1 . 1 1 785 785 ASP N N 785 119.826 119.826 120.606 -0.780 25870 205 1 1 . 1 1 785 785 ASP HA H 785 4.778 4.778 5.087 -0.309 25870 206 1 1 . 1 1 785 785 ASP CA C 785 52.164 52.164 51.252 0.912 25870 207 1 1 . 1 1 785 785 ASP CB C 785 39.657 39.657 42.817 -3.160 25870 208 1 1 . 1 1 785 785 ASP H H 785 8.145 8.145 8.003 0.142 25870 209 1 1 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.421 -0.150 25870 210 1 1 . 1 1 786 786 PRO CA C 786 66.265 66.265 64.768 1.497 25870 211 1 1 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.072 -0.061 25870 212 1 1 . 1 1 787 787 GLN N N 787 118.097 118.097 117.754 0.343 25870 213 1 1 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.254 -0.113 25870 214 1 1 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.081 1.034 25870 215 1 1 . 1 1 787 787 GLN CB C 787 27.732 27.732 29.115 -1.383 25870 216 1 1 . 1 1 787 787 GLN H H 787 8.409 8.409 8.737 -0.328 25870 217 1 1 . 1 1 788 788 GLY N N 788 113.421 113.421 108.315 5.106 25870 218 1 1 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.797 0.520 25870 219 1 1 . 1 1 788 788 GLY H H 788 8.644 8.644 8.841 -0.198 25870 220 1 1 . 1 1 789 789 GLU N N 789 121.223 121.223 121.220 0.003 25870 221 1 1 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.299 -0.151 25870 222 1 1 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.394 -0.050 25870 223 1 1 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.421 0.014 25870 224 1 1 . 1 1 789 789 GLU H H 789 8.514 8.514 8.233 0.281 25870 225 1 1 . 1 1 790 790 ALA N N 790 122.879 122.879 122.507 0.372 25870 226 1 1 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.190 0.057 25870 227 1 1 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.123 -0.216 25870 228 1 1 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.433 -0.652 25870 229 1 1 . 1 1 790 790 ALA H H 790 8.024 8.024 7.608 0.416 25870 230 1 1 . 1 1 791 791 GLU N N 791 122.622 122.622 119.155 3.467 25870 231 1 1 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.120 0.567 25870 232 1 1 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.467 -0.333 25870 233 1 1 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.450 -0.389 25870 234 1 1 . 1 1 791 791 GLU H H 791 8.280 8.280 7.777 0.503 25870 235 1 1 . 1 1 792 792 PHE N N 792 119.949 119.949 121.192 -1.243 25870 236 1 1 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.244 -0.206 25870 237 1 1 . 1 1 792 792 PHE CA C 792 61.812 61.812 60.998 0.814 25870 238 1 1 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.486 0.112 25870 239 1 1 . 1 1 792 792 PHE H H 792 8.722 8.722 8.882 -0.160 25870 240 1 1 . 1 1 793 793 ALA N N 793 119.652 119.652 121.631 -1.979 25870 241 1 1 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.324 0.530 25870 242 1 1 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.394 0.508 25870 243 1 1 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.819 -0.191 25870 244 1 1 . 1 1 793 793 ALA H H 793 8.163 8.163 7.724 0.439 25870 245 1 1 . 1 1 794 794 ARG N N 794 121.092 121.092 119.428 1.664 25870 246 1 1 . 1 1 794 794 ARG HA H 794 3.910 3.910 3.989 -0.079 25870 247 1 1 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.152 0.319 25870 248 1 1 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.185 -0.093 25870 249 1 1 . 1 1 794 794 ARG H H 794 8.034 8.034 7.656 0.378 25870 250 1 1 . 1 1 795 795 ILE N N 795 121.394 121.394 120.402 0.992 25870 251 1 1 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.731 -0.343 25870 252 1 1 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.340 0.508 25870 253 1 1 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.324 -0.115 25870 254 1 1 . 1 1 795 795 ILE H H 795 8.049 8.049 8.061 -0.012 25870 255 1 1 . 1 1 796 796 MET N N 796 119.012 119.012 118.602 0.410 25870 256 1 1 . 1 1 796 796 MET HA H 796 4.155 4.155 3.948 0.207 25870 257 1 1 . 1 1 796 796 MET CA C 796 56.470 56.470 57.880 -1.410 25870 258 1 1 . 1 1 796 796 MET CB C 796 29.892 29.892 31.474 -1.581 25870 259 1 1 . 1 1 796 796 MET H H 796 8.589 8.589 8.276 0.313 25870 260 1 1 . 1 1 797 797 SER N N 797 114.132 114.132 112.782 1.350 25870 261 1 1 . 1 1 797 797 SER HA H 797 4.097 4.097 4.236 -0.139 25870 262 1 1 . 1 1 797 797 SER CA C 797 61.231 61.231 60.178 1.053 25870 263 1 1 . 1 1 797 797 SER CB C 797 62.895 62.895 63.527 -0.632 25870 264 1 1 . 1 1 797 797 SER H H 797 7.732 7.732 7.533 0.199 25870 265 1 1 . 1 1 798 798 ILE N N 798 120.873 120.873 116.564 4.309 25870 266 1 1 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.170 -0.352 25870 267 1 1 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.162 0.713 25870 268 1 1 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.637 0.226 25870 269 1 1 . 1 1 798 798 ILE H H 798 7.352 7.352 7.778 -0.426 25870 270 1 1 . 1 1 799 799 VAL N N 799 110.552 110.552 112.985 -2.433 25870 271 1 1 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.072 0.171 25870 272 1 1 . 1 1 799 799 VAL CA C 799 62.616 62.616 60.696 1.921 25870 273 1 1 . 1 1 799 799 VAL CB C 799 32.416 32.416 30.739 1.677 25870 274 1 1 . 1 1 799 799 VAL H H 799 7.648 7.648 7.896 -0.248 25870 275 1 1 . 1 1 800 800 ASP N N 800 119.435 119.435 120.236 -0.801 25870 276 1 1 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.110 0.115 25870 277 1 1 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.053 1.662 25870 278 1 1 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.442 -0.356 25870 279 1 1 . 1 1 800 800 ASP H H 800 8.074 8.074 7.470 0.604 25870 280 1 1 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.394 -0.063 25870 281 1 1 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.902 0.917 25870 282 1 1 . 1 1 801 801 PRO CB C 801 31.689 31.689 32.028 -0.339 25870 283 1 1 . 1 1 802 802 ASN N N 802 115.164 115.164 116.129 -0.965 25870 284 1 1 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.714 0.046 25870 285 1 1 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.697 0.301 25870 286 1 1 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.700 -1.748 25870 287 1 1 . 1 1 802 802 ASN H H 802 8.949 8.949 7.647 1.302 25870 288 1 1 . 1 1 803 803 ARG N N 803 117.446 117.446 116.195 1.251 25870 289 1 1 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.256 -0.426 25870 290 1 1 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.930 -0.042 25870 291 1 1 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.195 -0.841 25870 292 1 1 . 1 1 803 803 ARG H H 803 7.958 7.958 7.901 0.057 25870 293 1 1 . 1 1 804 804 LEU N N 804 123.307 123.307 116.594 6.713 25870 294 1 1 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.717 -0.561 25870 295 1 1 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.273 2.099 25870 296 1 1 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.669 1.261 25870 297 1 1 . 1 1 804 804 LEU H H 804 10.591 10.591 8.179 2.412 25870 298 1 1 . 1 1 805 805 GLY N N 805 110.516 110.516 107.703 2.813 25870 299 1 1 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.737 -0.793 25870 300 1 1 . 1 1 805 805 GLY H H 805 11.001 11.001 8.426 2.575 25870 301 1 1 . 1 1 806 806 VAL N N 806 109.840 109.840 114.187 -4.347 25870 302 1 1 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.355 0.216 25870 303 1 1 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.396 -0.830 25870 304 1 1 . 1 1 806 806 VAL CB C 806 36.853 36.853 35.087 1.766 25870 305 1 1 . 1 1 806 806 VAL H H 806 6.831 6.831 7.053 -0.222 25870 306 1 1 . 1 1 807 807 VAL N N 807 122.184 122.184 122.094 0.090 25870 307 1 1 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.391 -0.224 25870 308 1 1 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.413 1.231 25870 309 1 1 . 1 1 807 807 VAL CB C 807 32.383 32.383 30.974 1.409 25870 310 1 1 . 1 1 807 807 VAL H H 807 9.007 9.007 8.800 0.207 25870 311 1 1 . 1 1 808 808 THR N N 808 117.391 117.391 116.652 0.739 25870 312 1 1 . 1 1 808 808 THR HA H 808 4.593 4.593 4.700 -0.107 25870 313 1 1 . 1 1 808 808 THR CA C 808 60.615 60.615 58.824 1.791 25870 314 1 1 . 1 1 808 808 THR CB C 808 70.695 70.695 71.257 -0.562 25870 315 1 1 . 1 1 808 808 THR H H 808 7.925 7.925 7.513 0.412 25870 316 1 1 . 1 1 809 809 PHE N N 809 122.236 122.236 118.704 3.532 25870 317 1 1 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.448 -0.808 25870 318 1 1 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.456 0.293 25870 319 1 1 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.509 0.668 25870 320 1 1 . 1 1 809 809 PHE H H 809 9.349 9.349 8.376 0.973 25870 321 1 1 . 1 1 810 810 GLN N N 810 116.788 116.788 117.346 -0.558 25870 322 1 1 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.195 -0.597 25870 323 1 1 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.870 0.712 25870 324 1 1 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.456 -0.258 25870 325 1 1 . 1 1 810 810 GLN H H 810 8.572 8.572 7.819 0.753 25870 326 1 1 . 1 1 811 811 ALA N N 811 121.208 121.208 122.202 -0.994 25870 327 1 1 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.173 -0.054 25870 328 1 1 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.827 1.084 25870 329 1 1 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.743 0.522 25870 330 1 1 . 1 1 811 811 ALA H H 811 7.667 7.667 7.648 0.019 25870 331 1 1 . 1 1 812 812 PHE N N 812 119.805 119.805 118.846 0.959 25870 332 1 1 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.382 -0.402 25870 333 1 1 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.102 -0.362 25870 334 1 1 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.741 0.929 25870 335 1 1 . 1 1 812 812 PHE H H 812 8.400 8.400 8.354 0.046 25870 336 1 1 . 1 1 813 813 ILE N N 813 118.098 118.098 118.547 -0.449 25870 337 1 1 . 1 1 813 813 ILE HA H 813 3.146 3.146 4.024 -0.878 25870 338 1 1 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.507 0.792 25870 339 1 1 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.374 -0.172 25870 340 1 1 . 1 1 813 813 ILE H H 813 8.364 8.364 7.810 0.554 25870 341 1 1 . 1 1 814 814 ASP N N 814 123.528 123.528 120.564 2.964 25870 342 1 1 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.362 -0.166 25870 343 1 1 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.428 0.251 25870 344 1 1 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.707 -0.471 25870 345 1 1 . 1 1 814 814 ASP H H 814 8.221 8.221 7.852 0.369 25870 346 1 1 . 1 1 815 815 PHE N N 815 120.584 120.584 119.480 1.104 25870 347 1 1 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.467 -0.338 25870 348 1 1 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.724 0.360 25870 349 1 1 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.609 0.089 25870 350 1 1 . 1 1 815 815 PHE H H 815 7.887 7.887 7.832 0.055 25870 351 1 1 . 1 1 816 816 MET N N 816 116.960 116.960 120.361 -3.401 25870 352 1 1 . 1 1 816 816 MET HA H 816 3.782 3.782 4.087 -0.305 25870 353 1 1 . 1 1 816 816 MET CA C 816 55.662 55.662 57.212 -1.550 25870 354 1 1 . 1 1 816 816 MET CB C 816 30.033 30.033 31.298 -1.265 25870 355 1 1 . 1 1 816 816 MET H H 816 8.372 8.372 8.128 0.244 25870 356 1 1 . 1 1 817 817 SER N N 817 114.277 114.277 113.667 0.610 25870 357 1 1 . 1 1 817 817 SER HA H 817 4.194 4.194 4.358 -0.164 25870 358 1 1 . 1 1 817 817 SER CA C 817 60.521 60.521 60.853 -0.332 25870 359 1 1 . 1 1 817 817 SER CB C 817 63.185 63.185 63.241 -0.056 25870 360 1 1 . 1 1 817 817 SER H H 817 8.074 8.074 8.344 -0.270 25870 361 1 1 . 1 1 818 818 ARG N N 818 121.493 121.493 119.769 1.724 25870 362 1 1 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.159 -0.035 25870 363 1 1 . 1 1 818 818 ARG CA C 818 57.684 57.684 56.760 0.924 25870 364 1 1 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.437 0.878 25870 365 1 1 . 1 1 818 818 ARG H H 818 7.288 7.288 8.073 -0.785 25870 366 1 1 . 1 1 819 819 GLU N N 819 119.737 119.737 117.670 2.067 25870 367 1 1 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.135 -0.034 25870 368 1 1 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.528 -1.462 25870 369 1 1 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.050 1.441 25870 370 1 1 . 1 1 819 819 GLU H H 819 8.045 8.045 7.748 0.297 25870 371 1 1 . 1 1 820 820 THR N N 820 112.128 112.128 109.156 2.972 25870 372 1 1 . 1 1 820 820 THR HA H 820 4.280 4.280 4.066 0.214 25870 373 1 1 . 1 1 820 820 THR CA C 820 62.055 62.055 62.297 -0.242 25870 374 1 1 . 1 1 820 820 THR CB C 820 69.828 69.828 68.935 0.893 25870 375 1 1 . 1 1 820 820 THR H H 820 7.760 7.760 7.388 0.372 25870 376 1 1 . 1 1 821 821 ALA N N 821 126.098 126.098 124.222 1.876 25870 377 1 1 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.454 -0.170 25870 378 1 1 . 1 1 821 821 ALA CA C 821 52.726 52.726 51.025 1.702 25870 379 1 1 . 1 1 821 821 ALA CB C 821 19.304 19.304 20.872 -1.568 25870 380 1 1 . 1 1 821 821 ALA H H 821 7.957 7.957 7.331 0.626 25870 381 1 1 . 1 1 822 822 ASP N N 822 119.904 119.904 120.913 -1.009 25870 382 1 1 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.584 0.029 25870 383 1 1 . 1 1 822 822 ASP CA C 822 54.335 54.335 55.352 -1.017 25870 384 1 1 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.284 -0.252 25870 385 1 1 . 1 1 822 822 ASP H H 822 8.352 8.352 8.460 -0.108 25870 386 1 1 . 1 1 823 823 THR N N 823 114.142 114.142 114.877 -0.735 25870 387 1 1 . 1 1 823 823 THR HA H 823 4.278 4.278 4.578 -0.300 25870 388 1 1 . 1 1 823 823 THR CA C 823 62.117 62.117 61.161 0.956 25870 389 1 1 . 1 1 823 823 THR CB C 823 69.584 69.584 71.295 -1.711 25870 390 1 1 . 1 1 823 823 THR H H 823 8.079 8.079 8.117 -0.038 25870 391 1 1 . 1 1 824 824 ASP N N 824 123.261 123.261 121.071 2.190 25870 392 1 1 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.630 0.027 25870 393 1 1 . 1 1 824 824 ASP CA C 824 54.786 54.786 55.890 -1.104 25870 394 1 1 . 1 1 824 824 ASP CB C 824 41.085 41.085 40.718 0.367 25870 395 1 1 . 1 1 824 824 ASP H H 824 8.431 8.431 8.786 -0.355 25870 396 1 1 . 1 1 825 825 THR N N 825 114.932 114.932 113.929 1.003 25870 397 1 1 . 1 1 825 825 THR HA H 825 4.161 4.161 4.153 0.008 25870 398 1 1 . 1 1 825 825 THR CA C 825 63.109 63.109 64.639 -1.530 25870 399 1 1 . 1 1 825 825 THR CB C 825 69.455 69.455 68.268 1.187 25870 400 1 1 . 1 1 825 825 THR H H 825 8.155 8.155 8.634 -0.479 25870 401 1 1 . 1 1 826 826 ALA N N 826 124.961 124.961 124.670 0.291 25870 402 1 1 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.029 0.131 25870 403 1 1 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.437 -0.045 25870 404 1 1 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.194 0.416 25870 405 1 1 . 1 1 826 826 ALA H H 826 8.379 8.379 8.228 0.151 25870 406 1 1 . 1 1 827 827 ASP N N 827 117.765 117.765 117.989 -0.224 25870 407 1 1 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.301 0.124 25870 408 1 1 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.171 -1.120 25870 409 1 1 . 1 1 827 827 ASP CB C 827 40.559 40.559 40.990 -0.431 25870 410 1 1 . 1 1 827 827 ASP H H 827 8.250 8.250 7.772 0.478 25870 411 1 1 . 1 1 828 828 GLN N N 828 120.523 120.523 118.219 2.304 25870 412 1 1 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.056 0.035 25870 413 1 1 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.265 -0.451 25870 414 1 1 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.803 -0.254 25870 415 1 1 . 1 1 828 828 GLN H H 828 8.076 8.076 7.796 0.280 25870 416 1 1 . 1 1 829 829 VAL N N 829 120.970 120.970 119.222 1.748 25870 417 1 1 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.781 -0.256 25870 418 1 1 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.019 1.175 25870 419 1 1 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.882 -0.341 25870 420 1 1 . 1 1 829 829 VAL H H 829 8.051 8.051 7.257 0.794 25870 421 1 1 . 1 1 830 830 MET N N 830 119.572 119.572 118.593 0.979 25870 422 1 1 . 1 1 830 830 MET HA H 830 4.006 4.006 3.122 0.884 25870 423 1 1 . 1 1 830 830 MET CA C 830 57.977 57.977 58.430 -0.453 25870 424 1 1 . 1 1 830 830 MET CB C 830 31.995 31.995 31.748 0.247 25870 425 1 1 . 1 1 830 830 MET H H 830 8.110 8.110 8.273 -0.163 25870 426 1 1 . 1 1 831 831 ALA N N 831 121.059 121.059 121.924 -0.865 25870 427 1 1 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.906 0.139 25870 428 1 1 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.545 -0.045 25870 429 1 1 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.694 0.373 25870 430 1 1 . 1 1 831 831 ALA H H 831 7.836 7.836 7.608 0.228 25870 431 1 1 . 1 1 832 832 SER N N 832 114.256 114.256 115.420 -1.164 25870 432 1 1 . 1 1 832 832 SER HA H 832 4.141 4.141 4.093 0.048 25870 433 1 1 . 1 1 832 832 SER CA C 832 60.845 60.845 61.273 -0.428 25870 434 1 1 . 1 1 832 832 SER CB C 832 62.613 62.613 62.730 -0.117 25870 435 1 1 . 1 1 832 832 SER H H 832 7.714 7.714 7.606 0.108 25870 436 1 1 . 1 1 833 833 PHE N N 833 121.847 121.847 121.164 0.683 25870 437 1 1 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.248 -0.425 25870 438 1 1 . 1 1 833 833 PHE CA C 833 58.627 58.627 58.840 -0.213 25870 439 1 1 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.302 0.825 25870 440 1 1 . 1 1 833 833 PHE H H 833 7.740 7.740 7.382 0.358 25870 441 1 1 . 1 1 834 834 LYS N N 834 118.759 118.759 119.926 -1.167 25870 442 1 1 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.561 0.028 25870 443 1 1 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.176 1.208 25870 444 1 1 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.780 0.363 25870 445 1 1 . 1 1 834 834 LYS H H 834 7.843 7.843 7.673 0.170 25870 446 1 1 . 1 1 835 835 ILE N N 835 118.537 118.537 120.144 -1.607 25870 447 1 1 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.756 -0.020 25870 448 1 1 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.594 -0.879 25870 449 1 1 . 1 1 835 835 ILE CB C 835 37.825 37.825 38.049 -0.224 25870 450 1 1 . 1 1 835 835 ILE H H 835 7.315 7.315 7.391 -0.076 25870 451 1 1 . 1 1 836 836 LEU N N 836 121.201 121.201 119.472 1.729 25870 452 1 1 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.870 0.085 25870 453 1 1 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.048 0.026 25870 454 1 1 . 1 1 836 836 LEU CB C 836 42.415 42.415 42.136 0.279 25870 455 1 1 . 1 1 836 836 LEU H H 836 7.625 7.625 8.117 -0.492 25870 456 1 1 . 1 1 837 837 ALA N N 837 119.184 119.184 118.677 0.507 25870 457 1 1 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.966 -0.071 25870 458 1 1 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.792 -0.491 25870 459 1 1 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.278 0.060 25870 460 1 1 . 1 1 837 837 ALA H H 837 8.099 8.099 7.718 0.381 25870 461 1 1 . 1 1 838 838 GLY N N 838 107.030 107.030 106.581 0.449 25870 462 1 1 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.782 0.136 25870 463 1 1 . 1 1 838 838 GLY H H 838 7.676 7.676 8.220 -0.544 25870 464 1 1 . 1 1 839 839 ASP N N 839 122.291 122.291 124.538 -2.247 25870 465 1 1 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.755 -0.278 25870 466 1 1 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.989 0.522 25870 467 1 1 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.940 -1.759 25870 468 1 1 . 1 1 839 839 ASP H H 839 8.704 8.704 8.177 0.527 25870 469 1 1 . 1 1 840 840 LYS N N 840 117.582 117.582 120.680 -3.098 25870 470 1 1 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.444 -0.143 25870 471 1 1 . 1 1 840 840 LYS CA C 840 55.780 55.780 55.794 -0.014 25870 472 1 1 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.274 0.436 25870 473 1 1 . 1 1 840 840 LYS H H 840 7.583 7.583 7.509 0.074 25870 474 1 1 . 1 1 841 841 ASN N N 841 116.678 116.678 116.520 0.158 25870 475 1 1 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.655 -0.044 25870 476 1 1 . 1 1 841 841 ASN CA C 841 53.466 53.466 53.968 -0.502 25870 477 1 1 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.222 -0.067 25870 478 1 1 . 1 1 841 841 ASN H H 841 8.693 8.693 8.997 -0.304 25870 479 1 1 . 1 1 842 842 TYR N N 842 112.236 112.236 114.465 -2.229 25870 480 1 1 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.863 0.123 25870 481 1 1 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.267 -1.349 25870 482 1 1 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.494 0.101 25870 483 1 1 . 1 1 842 842 TYR H H 842 6.637 6.637 7.294 -0.657 25870 484 1 1 . 1 1 843 843 ILE N N 843 115.475 115.475 121.342 -5.867 25870 485 1 1 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.680 0.112 25870 486 1 1 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.395 0.562 25870 487 1 1 . 1 1 843 843 ILE CB C 843 43.009 43.009 43.041 -0.032 25870 488 1 1 . 1 1 843 843 ILE H H 843 8.630 8.630 9.296 -0.666 25870 489 1 1 . 1 1 844 844 THR N N 844 117.169 117.169 118.431 -1.262 25870 490 1 1 . 1 1 844 844 THR HA H 844 5.370 5.370 5.180 0.190 25870 491 1 1 . 1 1 844 844 THR CA C 844 60.177 60.177 60.388 -0.211 25870 492 1 1 . 1 1 844 844 THR CB C 844 71.088 71.088 70.542 0.546 25870 493 1 1 . 1 1 844 844 THR H H 844 9.330 9.330 9.401 -0.071 25870 494 1 1 . 1 1 845 845 MET N N 845 119.860 119.860 120.158 -0.298 25870 495 1 1 . 1 1 845 845 MET HA H 845 3.824 3.824 4.003 -0.179 25870 496 1 1 . 1 1 845 845 MET CA C 845 60.321 60.321 60.534 -0.213 25870 497 1 1 . 1 1 845 845 MET CB C 845 33.030 33.030 32.096 0.933 25870 498 1 1 . 1 1 845 845 MET H H 845 8.556 8.556 8.775 -0.219 25870 499 1 1 . 1 1 846 846 ASP N N 846 116.363 116.363 117.857 -1.494 25870 500 1 1 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.425 -0.145 25870 501 1 1 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.525 0.879 25870 502 1 1 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.633 -0.049 25870 503 1 1 . 1 1 846 846 ASP H H 846 8.377 8.377 8.690 -0.313 25870 504 1 1 . 1 1 847 847 GLU N N 847 120.577 120.577 118.301 2.276 25870 505 1 1 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.146 -0.292 25870 506 1 1 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.818 0.839 25870 507 1 1 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.085 -0.425 25870 508 1 1 . 1 1 847 847 GLU H H 847 7.855 7.855 7.615 0.240 25870 509 1 1 . 1 1 848 848 LEU N N 848 118.714 118.714 119.334 -0.620 25870 510 1 1 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.042 -0.220 25870 511 1 1 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.544 1.181 25870 512 1 1 . 1 1 848 848 LEU CB C 848 42.457 42.457 42.021 0.436 25870 513 1 1 . 1 1 848 848 LEU H H 848 7.849 7.849 7.561 0.288 25870 514 1 1 . 1 1 849 849 ARG N N 849 113.972 113.972 114.997 -1.025 25870 515 1 1 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.448 -0.524 25870 516 1 1 . 1 1 849 849 ARG CA C 849 58.595 58.595 56.714 1.881 25870 517 1 1 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.354 0.746 25870 518 1 1 . 1 1 849 849 ARG H H 849 8.053 8.053 7.797 0.256 25870 519 1 1 . 1 1 850 850 ARG N N 850 118.178 118.178 118.798 -0.620 25870 520 1 1 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.400 -0.207 25870 521 1 1 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.570 0.675 25870 522 1 1 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.639 -0.519 25870 523 1 1 . 1 1 850 850 ARG H H 850 7.743 7.743 7.503 0.240 25870 524 1 1 . 1 1 851 851 GLU N N 851 115.518 115.518 119.144 -3.626 25870 525 1 1 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.334 0.016 25870 526 1 1 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.741 -0.855 25870 527 1 1 . 1 1 851 851 GLU CB C 851 31.590 31.590 31.074 0.516 25870 528 1 1 . 1 1 851 851 GLU H H 851 7.596 7.596 7.794 -0.198 25870 529 1 1 . 1 1 852 852 LEU N N 852 119.148 119.148 120.886 -1.738 25870 530 1 1 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.288 -0.394 25870 531 1 1 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.712 0.462 25870 532 1 1 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.726 0.743 25870 533 1 1 . 1 1 852 852 LEU H H 852 7.890 7.890 7.862 0.028 25870 534 1 1 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.388 -0.041 25870 535 1 1 . 1 1 853 853 PRO CA C 853 65.119 65.119 64.215 0.904 25870 536 1 1 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.386 1.245 25870 537 1 1 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.478 -0.208 25870 538 1 1 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.975 4.361 25870 539 1 1 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.037 -0.781 25870 540 1 1 . 1 1 855 855 ASP N N 855 114.865 114.865 118.931 -4.066 25870 541 1 1 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.308 0.041 25870 542 1 1 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.402 -0.489 25870 543 1 1 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.279 -1.035 25870 544 1 1 . 1 1 855 855 ASP H H 855 8.801 8.801 8.328 0.473 25870 545 1 1 . 1 1 856 856 GLN N N 856 121.465 121.465 118.855 2.610 25870 546 1 1 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.297 -0.098 25870 547 1 1 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.612 -1.295 25870 548 1 1 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.146 1.101 25870 549 1 1 . 1 1 856 856 GLN H H 856 7.472 7.472 8.597 -1.125 25870 550 1 1 . 1 1 857 857 ALA N N 857 122.805 122.805 122.516 0.289 25870 551 1 1 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.892 -0.093 25870 552 1 1 . 1 1 857 857 ALA CA C 857 56.303 56.303 56.178 0.124 25870 553 1 1 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.253 -0.308 25870 554 1 1 . 1 1 857 857 ALA H H 857 8.882 8.882 8.235 0.647 25870 555 1 1 . 1 1 858 858 GLU N N 858 114.094 114.094 118.959 -4.865 25870 556 1 1 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.008 0.016 25870 557 1 1 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.789 -0.107 25870 558 1 1 . 1 1 858 858 GLU CB C 858 28.639 28.639 28.986 -0.347 25870 559 1 1 . 1 1 858 858 GLU H H 858 8.155 8.155 7.885 0.270 25870 560 1 1 . 1 1 859 859 TYR N N 859 120.665 120.665 122.194 -1.529 25870 561 1 1 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.165 -0.081 25870 562 1 1 . 1 1 859 859 TYR CA C 859 61.006 61.006 60.839 0.167 25870 563 1 1 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.151 0.536 25870 564 1 1 . 1 1 859 859 TYR H H 859 7.708 7.708 8.463 -0.755 25870 565 1 1 . 1 1 860 860 CYS N N 860 115.812 115.812 118.032 -2.220 25870 566 1 1 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.308 0.850 25870 567 1 1 . 1 1 860 860 CYS CA C 860 64.254 64.254 64.093 0.161 25870 568 1 1 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.996 0.308 25870 569 1 1 . 1 1 860 860 CYS H H 860 8.113 8.113 7.834 0.279 25870 570 1 1 . 1 1 861 861 ILE N N 861 120.078 120.078 119.965 0.113 25870 571 1 1 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.592 -0.253 25870 572 1 1 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.239 0.404 25870 573 1 1 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.682 1.032 25870 574 1 1 . 1 1 861 861 ILE H H 861 8.453 8.453 8.047 0.406 25870 575 1 1 . 1 1 862 862 ALA N N 862 116.691 116.691 122.596 -5.905 25870 576 1 1 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.031 0.178 25870 577 1 1 . 1 1 862 862 ALA CA C 862 53.222 53.222 55.087 -1.865 25870 578 1 1 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.762 0.240 25870 579 1 1 . 1 1 862 862 ALA H H 862 7.307 7.307 8.335 -1.028 25870 580 1 1 . 1 1 863 863 ARG N N 863 117.226 117.226 115.961 1.265 25870 581 1 1 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.417 -0.143 25870 582 1 1 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.973 -0.922 25870 583 1 1 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.666 0.723 25870 584 1 1 . 1 1 863 863 ARG H H 863 7.358 7.358 7.641 -0.283 25870 585 1 1 . 1 1 864 864 MET N N 864 117.583 117.583 118.683 -1.100 25870 586 1 1 . 1 1 864 864 MET HA H 864 4.561 4.561 4.404 0.157 25870 587 1 1 . 1 1 864 864 MET CA C 864 54.927 54.927 55.919 -0.992 25870 588 1 1 . 1 1 864 864 MET CB C 864 37.418 37.418 34.200 3.217 25870 589 1 1 . 1 1 864 864 MET H H 864 7.153 7.153 7.323 -0.170 25870 590 1 1 . 1 1 865 865 ALA N N 865 124.643 124.643 126.459 -1.816 25870 591 1 1 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.542 -0.676 25870 592 1 1 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.970 -0.776 25870 593 1 1 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.204 0.443 25870 594 1 1 . 1 1 865 865 ALA H H 865 8.557 8.557 8.144 0.413 25870 595 1 1 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.488 0.008 25870 596 1 1 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.854 -0.130 25870 597 1 1 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.445 1.535 25870 598 1 1 . 1 1 867 867 TYR N N 867 122.461 122.461 126.467 -4.006 25870 599 1 1 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.485 0.243 25870 600 1 1 . 1 1 867 867 TYR CA C 867 57.096 57.096 55.987 1.109 25870 601 1 1 . 1 1 867 867 TYR CB C 867 39.175 39.175 37.066 2.109 25870 602 1 1 . 1 1 867 867 TYR H H 867 8.128 8.128 8.155 -0.026 25870 603 1 1 . 1 1 868 868 THR HA H 868 4.351 4.351 4.553 -0.202 25870 604 1 1 . 1 1 868 868 THR CA C 868 60.271 60.271 59.709 0.562 25870 605 1 1 . 1 1 868 868 THR CB C 868 68.737 68.737 71.692 -2.955 25870 606 1 1 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.404 -0.490 25870 607 1 1 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.487 -0.158 25870 608 1 1 . 1 1 870 870 PRO CA C 870 64.697 64.697 63.958 0.739 25870 609 1 1 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.279 -0.700 25870 610 1 1 . 1 1 871 871 ASP N N 871 116.207 116.207 118.359 -2.152 25870 611 1 1 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.661 -0.057 25870 612 1 1 . 1 1 871 871 ASP CA C 871 52.749 52.749 54.580 -1.831 25870 613 1 1 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.931 -2.002 25870 614 1 1 . 1 1 871 871 ASP H H 871 9.267 9.267 8.651 0.616 25870 615 1 1 . 1 1 872 872 SER N N 872 112.349 112.349 114.915 -2.566 25870 616 1 1 . 1 1 872 872 SER HA H 872 3.497 3.497 4.494 -0.997 25870 617 1 1 . 1 1 872 872 SER CA C 872 59.065 59.065 57.731 1.334 25870 618 1 1 . 1 1 872 872 SER CB C 872 63.125 63.125 65.390 -2.265 25870 619 1 1 . 1 1 872 872 SER H H 872 7.487 7.487 7.207 0.280 25870 620 1 1 . 1 1 873 873 VAL N N 873 113.567 113.567 115.599 -2.032 25870 621 1 1 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.506 0.223 25870 622 1 1 . 1 1 873 873 VAL CA C 873 58.044 58.044 58.388 -0.344 25870 623 1 1 . 1 1 873 873 VAL CB C 873 32.911 32.911 32.086 0.825 25870 624 1 1 . 1 1 873 873 VAL H H 873 6.411 6.411 8.115 -1.704 25870 625 1 1 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.407 -0.111 25870 626 1 1 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.337 0.998 25870 627 1 1 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.513 0.002 25870 628 1 1 . 1 1 875 875 GLY N N 875 112.118 112.118 111.548 0.570 25870 629 1 1 . 1 1 875 875 GLY CA C 875 45.557 45.557 45.090 0.467 25870 630 1 1 . 1 1 875 875 GLY H H 875 8.800 8.800 8.502 0.298 25870 631 1 1 . 1 1 876 876 ALA N N 876 120.262 120.262 123.375 -3.113 25870 632 1 1 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.508 -1.408 25870 633 1 1 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.547 2.526 25870 634 1 1 . 1 1 876 876 ALA CB C 876 20.508 20.508 22.045 -1.537 25870 635 1 1 . 1 1 876 876 ALA H H 876 7.762 7.762 7.667 0.095 25870 636 1 1 . 1 1 877 877 LEU N N 877 125.695 125.695 120.737 4.958 25870 637 1 1 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.128 -0.352 25870 638 1 1 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.662 0.607 25870 639 1 1 . 1 1 877 877 LEU CB C 877 44.799 44.799 46.952 -2.153 25870 640 1 1 . 1 1 877 877 LEU H H 877 9.595 9.595 9.268 0.327 25870 641 1 1 . 1 1 878 878 ASP N N 878 119.823 119.823 121.919 -2.096 25870 642 1 1 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.607 0.272 25870 643 1 1 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.762 -0.765 25870 644 1 1 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.543 -0.762 25870 645 1 1 . 1 1 878 878 ASP H H 878 9.031 9.031 7.771 1.260 25870 646 1 1 . 1 1 879 879 TYR N N 879 126.556 126.556 123.621 2.935 25870 647 1 1 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.320 0.271 25870 648 1 1 . 1 1 879 879 TYR CA C 879 59.396 59.396 60.197 -0.801 25870 649 1 1 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.773 -0.452 25870 650 1 1 . 1 1 879 879 TYR H H 879 7.456 7.456 8.071 -0.615 25870 651 1 1 . 1 1 880 880 MET N N 880 119.958 119.958 115.096 4.862 25870 652 1 1 . 1 1 880 880 MET HA H 880 4.605 4.605 4.823 -0.218 25870 653 1 1 . 1 1 880 880 MET CA C 880 56.044 56.044 57.445 -1.401 25870 654 1 1 . 1 1 880 880 MET CB C 880 30.101 30.101 33.310 -3.209 25870 655 1 1 . 1 1 880 880 MET H H 880 7.627 7.627 7.430 0.197 25870 656 1 1 . 1 1 881 881 SER N N 881 114.328 114.328 115.975 -1.647 25870 657 1 1 . 1 1 881 881 SER HA H 881 4.471 4.471 4.587 -0.116 25870 658 1 1 . 1 1 881 881 SER CA C 881 58.917 58.917 57.472 1.444 25870 659 1 1 . 1 1 881 881 SER CB C 881 64.447 64.447 63.580 0.867 25870 660 1 1 . 1 1 881 881 SER H H 881 7.726 7.726 8.236 -0.510 25870 661 1 1 . 1 1 882 882 PHE N N 882 122.735 122.735 119.558 3.177 25870 662 1 1 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.369 0.353 25870 663 1 1 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.439 1.792 25870 664 1 1 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.182 1.103 25870 665 1 1 . 1 1 882 882 PHE H H 882 7.385 7.385 7.389 -0.004 25870 666 1 1 . 1 1 883 883 SER N N 883 120.156 120.156 116.251 3.905 25870 667 1 1 . 1 1 883 883 SER HA H 883 4.299 4.299 4.381 -0.082 25870 668 1 1 . 1 1 883 883 SER CA C 883 57.280 57.280 57.965 -0.685 25870 669 1 1 . 1 1 883 883 SER CB C 883 64.601 64.601 63.726 0.875 25870 670 1 1 . 1 1 883 883 SER H H 883 7.472 7.472 8.483 -1.011 25870 671 1 1 . 1 1 884 884 THR N N 884 110.683 110.683 120.651 -9.968 25870 672 1 1 . 1 1 884 884 THR HA H 884 3.966 3.966 4.275 -0.309 25870 673 1 1 . 1 1 884 884 THR CA C 884 63.465 63.465 63.149 0.316 25870 674 1 1 . 1 1 884 884 THR CB C 884 68.899 68.899 68.356 0.543 25870 675 1 1 . 1 1 884 884 THR H H 884 7.996 7.996 8.432 -0.436 25870 676 1 1 . 1 1 885 885 ALA N N 885 125.456 125.456 122.720 2.736 25870 677 1 1 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.557 -0.321 25870 678 1 1 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.020 1.010 25870 679 1 1 . 1 1 885 885 ALA CB C 885 19.225 19.225 19.311 -0.087 25870 680 1 1 . 1 1 885 885 ALA H H 885 7.905 7.905 7.394 0.511 25870 681 1 1 . 1 1 886 886 LEU N N 886 120.638 120.638 117.904 2.734 25870 682 1 1 . 1 1 886 886 LEU HA H 886 4.002 4.002 3.772 0.230 25870 683 1 1 . 1 1 886 886 LEU CA C 886 55.462 55.462 56.140 -0.678 25870 684 1 1 . 1 1 886 886 LEU CB C 886 42.265 42.265 40.842 1.423 25870 685 1 1 . 1 1 886 886 LEU H H 886 8.079 8.079 7.343 0.736 25870 686 1 1 . 1 1 887 887 TYR N N 887 121.526 121.526 118.076 3.450 25870 687 1 1 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.639 -0.283 25870 688 1 1 . 1 1 887 887 TYR CA C 887 58.750 58.750 59.296 -0.546 25870 689 1 1 . 1 1 887 887 TYR CB C 887 38.569 38.569 38.495 0.074 25870 690 1 1 . 1 1 887 887 TYR H H 887 8.267 8.267 7.856 0.411 25870 691 1 1 . 1 1 888 888 GLY N N 888 112.379 112.379 106.541 5.838 25870 692 1 1 . 1 1 888 888 GLY CA C 888 45.090 45.090 45.062 0.028 25870 693 1 1 . 1 1 888 888 GLY H H 888 8.087 8.087 8.010 0.077 25870 694 1 1 . 1 1 889 889 GLU N N 889 120.255 120.255 122.428 -2.173 25870 695 1 1 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.536 -0.280 25870 696 1 1 . 1 1 889 889 GLU CA C 889 56.445 56.445 55.106 1.339 25870 697 1 1 . 1 1 889 889 GLU CB C 889 30.393 30.393 28.065 2.328 25870 698 1 1 . 1 1 889 889 GLU H H 889 7.994 7.994 7.942 0.052 25870 699 1 1 . 1 1 890 890 SER N N 890 116.375 116.375 114.669 1.706 25870 700 1 1 . 1 1 890 890 SER HA H 890 4.415 4.415 4.606 -0.191 25870 701 1 1 . 1 1 890 890 SER CA C 890 58.204 58.204 57.645 0.559 25870 702 1 1 . 1 1 890 890 SER CB C 890 63.913 63.913 65.316 -1.403 25870 703 1 1 . 1 1 890 890 SER H H 890 8.329 8.329 7.619 0.710 25870 704 1 1 . 1 1 891 891 ASP N N 891 123.017 123.017 120.180 2.837 25870 705 1 1 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.488 0.122 25870 706 1 1 . 1 1 891 891 ASP CA C 891 54.371 54.371 54.856 -0.485 25870 707 1 1 . 1 1 891 891 ASP CB C 891 41.013 41.013 39.932 1.081 25870 708 1 1 . 1 1 891 891 ASP H H 891 8.394 8.394 8.336 0.058 25870 709 1 2 . 1 1 742 742 SER HA H 742 4.525 4.525 4.489 0.036 25870 710 1 2 . 1 1 742 742 SER CA C 742 58.148 58.148 59.687 -1.539 25870 711 1 2 . 1 1 742 742 SER CB C 742 63.791 63.791 63.695 0.096 25870 712 1 2 . 1 1 743 743 ILE N N 743 122.172 122.172 122.260 -0.088 25870 713 1 2 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.061 0.301 25870 714 1 2 . 1 1 743 743 ILE CA C 743 60.421 60.421 61.824 -1.403 25870 715 1 2 . 1 1 743 743 ILE CB C 743 39.166 39.166 39.010 0.156 25870 716 1 2 . 1 1 743 743 ILE H H 743 8.132 8.132 7.425 0.707 25870 717 1 2 . 1 1 744 744 SER N N 744 123.144 123.144 121.193 1.951 25870 718 1 2 . 1 1 744 744 SER HA H 744 4.449 4.449 4.612 -0.163 25870 719 1 2 . 1 1 744 744 SER CA C 744 57.463 57.463 56.593 0.870 25870 720 1 2 . 1 1 744 744 SER CB C 744 65.219 65.219 64.600 0.619 25870 721 1 2 . 1 1 744 744 SER H H 744 8.848 8.848 8.588 0.260 25870 722 1 2 . 1 1 745 745 GLN N N 745 121.619 121.619 122.500 -0.881 25870 723 1 2 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.157 -0.205 25870 724 1 2 . 1 1 745 745 GLN CA C 745 58.768 58.768 58.969 -0.201 25870 725 1 2 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.844 -0.332 25870 726 1 2 . 1 1 745 745 GLN H H 745 9.042 9.042 9.000 0.042 25870 727 1 2 . 1 1 746 746 GLU N N 746 118.648 118.648 119.913 -1.265 25870 728 1 2 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.143 -0.139 25870 729 1 2 . 1 1 746 746 GLU CA C 746 60.223 60.223 59.551 0.672 25870 730 1 2 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.038 -0.183 25870 731 1 2 . 1 1 746 746 GLU H H 746 8.721 8.721 7.655 1.066 25870 732 1 2 . 1 1 747 747 GLN N N 747 120.463 120.463 119.674 0.789 25870 733 1 2 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.367 -0.601 25870 734 1 2 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.852 -0.546 25870 735 1 2 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.150 0.798 25870 736 1 2 . 1 1 747 747 GLN H H 747 7.838 7.838 8.570 -0.732 25870 737 1 2 . 1 1 748 748 MET N N 748 119.252 119.252 115.227 4.025 25870 738 1 2 . 1 1 748 748 MET HA H 748 4.200 4.200 4.465 -0.265 25870 739 1 2 . 1 1 748 748 MET CA C 748 58.096 58.096 59.082 -0.986 25870 740 1 2 . 1 1 748 748 MET CB C 748 30.900 30.900 32.329 -1.429 25870 741 1 2 . 1 1 748 748 MET H H 748 8.473 8.473 8.095 0.378 25870 742 1 2 . 1 1 749 749 ASN N N 749 117.740 117.740 118.725 -0.985 25870 743 1 2 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.498 -0.024 25870 744 1 2 . 1 1 749 749 ASN CA C 749 55.795 55.795 56.125 -0.330 25870 745 1 2 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.847 -1.434 25870 746 1 2 . 1 1 749 749 ASN H H 749 8.334 8.334 7.811 0.523 25870 747 1 2 . 1 1 750 750 GLU N N 750 122.848 122.848 119.384 3.464 25870 748 1 2 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.161 0.043 25870 749 1 2 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.477 0.864 25870 750 1 2 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.594 -0.410 25870 751 1 2 . 1 1 750 750 GLU H H 750 7.838 7.838 8.462 -0.624 25870 752 1 2 . 1 1 751 751 PHE N N 751 120.177 120.177 123.155 -2.978 25870 753 1 2 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.390 0.631 25870 754 1 2 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.755 -1.402 25870 755 1 2 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.463 -1.666 25870 756 1 2 . 1 1 751 751 PHE H H 751 8.785 8.785 8.768 0.017 25870 757 1 2 . 1 1 752 752 ARG N N 752 120.528 120.528 120.228 0.300 25870 758 1 2 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.972 0.188 25870 759 1 2 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.286 1.418 25870 760 1 2 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.610 1.358 25870 761 1 2 . 1 1 752 752 ARG H H 752 9.016 9.016 8.063 0.953 25870 762 1 2 . 1 1 753 753 ALA N N 753 121.112 121.112 122.537 -1.425 25870 763 1 2 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.435 -0.190 25870 764 1 2 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.537 0.794 25870 765 1 2 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.841 -0.018 25870 766 1 2 . 1 1 753 753 ALA H H 753 8.100 8.100 7.865 0.235 25870 767 1 2 . 1 1 754 754 SER N N 754 115.589 115.589 114.905 0.684 25870 768 1 2 . 1 1 754 754 SER HA H 754 4.452 4.452 4.208 0.244 25870 769 1 2 . 1 1 754 754 SER CA C 754 62.675 62.675 59.721 2.954 25870 770 1 2 . 1 1 754 754 SER CB C 754 63.359 63.359 62.554 0.805 25870 771 1 2 . 1 1 754 754 SER H H 754 8.391 8.391 7.824 0.567 25870 772 1 2 . 1 1 755 755 PHE N N 755 121.886 121.886 118.657 3.229 25870 773 1 2 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.859 -0.217 25870 774 1 2 . 1 1 755 755 PHE CA C 755 61.964 61.964 58.836 3.128 25870 775 1 2 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.547 1.275 25870 776 1 2 . 1 1 755 755 PHE H H 755 8.675 8.675 7.609 1.066 25870 777 1 2 . 1 1 756 756 ASN N N 756 113.618 113.618 113.301 0.317 25870 778 1 2 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.096 0.331 25870 779 1 2 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.130 3.481 25870 780 1 2 . 1 1 756 756 ASN CB C 756 37.838 37.838 39.087 -1.249 25870 781 1 2 . 1 1 756 756 ASN H H 756 8.593 8.593 7.644 0.949 25870 782 1 2 . 1 1 757 757 HIS N N 757 119.679 119.679 121.981 -2.302 25870 783 1 2 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.286 -0.207 25870 784 1 2 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.827 0.517 25870 785 1 2 . 1 1 757 757 HIS CB C 757 29.889 29.889 29.919 -0.030 25870 786 1 2 . 1 1 757 757 HIS H H 757 8.139 8.139 7.675 0.464 25870 787 1 2 . 1 1 758 758 PHE N N 758 113.051 113.051 116.761 -3.710 25870 788 1 2 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.387 -0.326 25870 789 1 2 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.065 2.632 25870 790 1 2 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.371 -1.636 25870 791 1 2 . 1 1 758 758 PHE H H 758 7.585 7.585 7.420 0.165 25870 792 1 2 . 1 1 759 759 ASP N N 759 120.916 120.916 121.489 -0.573 25870 793 1 2 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.432 0.077 25870 794 1 2 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.856 -2.685 25870 795 1 2 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.511 -2.502 25870 796 1 2 . 1 1 759 759 ASP H H 759 7.423 7.423 7.895 -0.472 25870 797 1 2 . 1 1 760 760 ARG N N 760 124.819 124.819 125.508 -0.689 25870 798 1 2 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.068 -0.300 25870 799 1 2 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.717 -0.442 25870 800 1 2 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.632 -0.383 25870 801 1 2 . 1 1 760 760 ARG H H 760 7.781 7.781 8.311 -0.530 25870 802 1 2 . 1 1 761 761 ASP N N 761 113.673 113.673 113.824 -0.151 25870 803 1 2 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.709 -0.226 25870 804 1 2 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.450 -1.472 25870 805 1 2 . 1 1 761 761 ASP CB C 761 39.522 39.522 40.654 -1.131 25870 806 1 2 . 1 1 761 761 ASP H H 761 7.821 7.821 8.070 -0.249 25870 807 1 2 . 1 1 762 762 HIS N N 762 114.966 114.966 116.643 -1.677 25870 808 1 2 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.233 -0.072 25870 809 1 2 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.997 -0.379 25870 810 1 2 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.897 -2.517 25870 811 1 2 . 1 1 762 762 HIS H H 762 7.744 7.744 7.862 -0.118 25870 812 1 2 . 1 1 763 763 SER N N 763 115.077 115.077 113.857 1.220 25870 813 1 2 . 1 1 763 763 SER HA H 763 4.336 4.336 4.357 -0.021 25870 814 1 2 . 1 1 763 763 SER CA C 763 59.860 59.860 59.857 0.003 25870 815 1 2 . 1 1 763 763 SER CB C 763 65.192 65.192 64.036 1.156 25870 816 1 2 . 1 1 763 763 SER H H 763 8.726 8.726 8.710 0.016 25870 817 1 2 . 1 1 764 764 GLY N N 764 116.915 116.915 110.518 6.397 25870 818 1 2 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.418 0.031 25870 819 1 2 . 1 1 764 764 GLY H H 764 11.017 11.017 8.826 2.191 25870 820 1 2 . 1 1 765 765 THR N N 765 107.334 107.334 110.120 -2.786 25870 821 1 2 . 1 1 765 765 THR HA H 765 4.829 4.829 5.179 -0.350 25870 822 1 2 . 1 1 765 765 THR CA C 765 58.759 58.759 60.122 -1.363 25870 823 1 2 . 1 1 765 765 THR CB C 765 73.383 73.383 72.165 1.218 25870 824 1 2 . 1 1 765 765 THR H H 765 7.693 7.693 7.980 -0.287 25870 825 1 2 . 1 1 766 766 LEU N N 766 124.664 124.664 124.192 0.472 25870 826 1 2 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.644 0.256 25870 827 1 2 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.799 -1.460 25870 828 1 2 . 1 1 766 766 LEU CB C 766 42.339 42.339 42.869 -0.530 25870 829 1 2 . 1 1 766 766 LEU H H 766 9.209 9.209 8.792 0.417 25870 830 1 2 . 1 1 767 767 GLY N N 767 112.024 112.024 112.076 -0.052 25870 831 1 2 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.857 0.266 25870 832 1 2 . 1 1 767 767 GLY H H 767 8.910 8.910 8.985 -0.075 25870 833 1 2 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.550 -0.232 25870 834 1 2 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.231 0.896 25870 835 1 2 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.099 -0.070 25870 836 1 2 . 1 1 769 769 GLU N N 769 115.246 115.246 117.065 -1.819 25870 837 1 2 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.105 -0.134 25870 838 1 2 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.479 1.142 25870 839 1 2 . 1 1 769 769 GLU CB C 769 28.628 28.628 28.995 -0.367 25870 840 1 2 . 1 1 769 769 GLU H H 769 8.622 8.622 9.022 -0.400 25870 841 1 2 . 1 1 770 770 GLU N N 770 121.127 121.127 117.976 3.151 25870 842 1 2 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.211 0.061 25870 843 1 2 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.416 0.081 25870 844 1 2 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.924 1.448 25870 845 1 2 . 1 1 770 770 GLU H H 770 7.493 7.493 8.084 -0.591 25870 846 1 2 . 1 1 771 771 PHE N N 771 117.688 117.688 122.049 -4.361 25870 847 1 2 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.255 0.100 25870 848 1 2 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.669 -2.044 25870 849 1 2 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.448 -0.638 25870 850 1 2 . 1 1 771 771 PHE H H 771 9.110 9.110 8.916 0.194 25870 851 1 2 . 1 1 772 772 LYS N N 772 119.789 119.789 118.340 1.449 25870 852 1 2 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.580 -0.267 25870 853 1 2 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.327 2.345 25870 854 1 2 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.756 1.223 25870 855 1 2 . 1 1 772 772 LYS H H 772 8.594 8.594 8.029 0.565 25870 856 1 2 . 1 1 773 773 ALA N N 773 118.461 118.461 120.295 -1.834 25870 857 1 2 . 1 1 773 773 ALA HA H 773 3.881 3.881 3.973 -0.092 25870 858 1 2 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.608 1.405 25870 859 1 2 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.996 -1.367 25870 860 1 2 . 1 1 773 773 ALA H H 773 7.231 7.231 7.397 -0.166 25870 861 1 2 . 1 1 774 774 CYS N N 774 120.913 120.913 118.809 2.104 25870 862 1 2 . 1 1 774 774 CYS HA H 774 2.435 2.435 3.027 -0.592 25870 863 1 2 . 1 1 774 774 CYS CA C 774 61.174 61.174 62.051 -0.877 25870 864 1 2 . 1 1 774 774 CYS CB C 774 26.215 26.215 27.526 -1.311 25870 865 1 2 . 1 1 774 774 CYS H H 774 7.498 7.498 7.521 -0.023 25870 866 1 2 . 1 1 775 775 LEU N N 775 119.201 119.201 118.647 0.554 25870 867 1 2 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.563 0.203 25870 868 1 2 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.206 1.726 25870 869 1 2 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.178 -0.228 25870 870 1 2 . 1 1 775 775 LEU H H 775 8.372 8.372 7.478 0.894 25870 871 1 2 . 1 1 776 776 ILE N N 776 121.051 121.051 118.483 2.568 25870 872 1 2 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.512 1.578 25870 873 1 2 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.055 1.189 25870 874 1 2 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.175 0.816 25870 875 1 2 . 1 1 776 776 ILE H H 776 8.358 8.358 6.634 1.724 25870 876 1 2 . 1 1 777 777 SER N N 777 119.109 119.109 114.057 5.052 25870 877 1 2 . 1 1 777 777 SER HA H 777 4.291 4.291 4.139 0.152 25870 878 1 2 . 1 1 777 777 SER CA C 777 61.725 61.725 60.078 1.647 25870 879 1 2 . 1 1 777 777 SER CB C 777 62.995 62.995 63.122 -0.127 25870 880 1 2 . 1 1 777 777 SER H H 777 7.822 7.822 7.261 0.561 25870 881 1 2 . 1 1 778 778 LEU N N 778 121.208 121.208 116.705 4.503 25870 882 1 2 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.379 0.127 25870 883 1 2 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.879 1.120 25870 884 1 2 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.593 0.077 25870 885 1 2 . 1 1 778 778 LEU H H 778 7.671 7.671 7.073 0.598 25870 886 1 2 . 1 1 779 779 GLY N N 779 106.232 106.232 106.812 -0.580 25870 887 1 2 . 1 1 779 779 GLY CA C 779 45.287 45.287 44.942 0.345 25870 888 1 2 . 1 1 779 779 GLY H H 779 7.897 7.897 7.217 0.680 25870 889 1 2 . 1 1 780 780 TYR N N 780 120.772 120.772 117.808 2.964 25870 890 1 2 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.611 -0.469 25870 891 1 2 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.060 4.171 25870 892 1 2 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.568 -0.227 25870 893 1 2 . 1 1 780 780 TYR H H 780 8.072 8.072 7.359 0.713 25870 894 1 2 . 1 1 781 781 ASP N N 781 124.304 124.304 117.718 6.586 25870 895 1 2 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.659 0.006 25870 896 1 2 . 1 1 781 781 ASP CA C 781 53.148 53.148 54.008 -0.860 25870 897 1 2 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.551 -0.747 25870 898 1 2 . 1 1 781 781 ASP H H 781 8.862 8.862 9.104 -0.242 25870 899 1 2 . 1 1 782 782 ILE N N 782 122.271 122.271 112.913 9.358 25870 900 1 2 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.473 -0.132 25870 901 1 2 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.046 -0.054 25870 902 1 2 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.325 -2.417 25870 903 1 2 . 1 1 782 782 ILE H H 782 7.344 7.344 6.962 0.382 25870 904 1 2 . 1 1 783 783 GLY N N 783 112.322 112.322 106.305 6.017 25870 905 1 2 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.469 0.054 25870 906 1 2 . 1 1 783 783 GLY H H 783 8.122 8.122 8.127 -0.005 25870 907 1 2 . 1 1 784 784 ASN N N 784 118.727 118.727 120.574 -1.847 25870 908 1 2 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.633 0.249 25870 909 1 2 . 1 1 784 784 ASN CA C 784 52.098 52.098 52.850 -0.752 25870 910 1 2 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.239 -0.815 25870 911 1 2 . 1 1 784 784 ASN H H 784 8.452 8.452 8.651 -0.199 25870 912 1 2 . 1 1 785 785 ASP N N 785 119.826 119.826 120.691 -0.865 25870 913 1 2 . 1 1 785 785 ASP HA H 785 4.778 4.778 5.037 -0.259 25870 914 1 2 . 1 1 785 785 ASP CA C 785 52.164 52.164 50.746 1.418 25870 915 1 2 . 1 1 785 785 ASP CB C 785 39.657 39.657 43.739 -4.082 25870 916 1 2 . 1 1 785 785 ASP H H 785 8.145 8.145 8.070 0.075 25870 917 1 2 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.317 -0.046 25870 918 1 2 . 1 1 786 786 PRO CA C 786 66.265 66.265 64.930 1.335 25870 919 1 2 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.283 -0.272 25870 920 1 2 . 1 1 787 787 GLN N N 787 118.097 118.097 118.105 -0.008 25870 921 1 2 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.149 -0.009 25870 922 1 2 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.464 0.651 25870 923 1 2 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.728 -0.996 25870 924 1 2 . 1 1 787 787 GLN H H 787 8.409 8.409 9.085 -0.676 25870 925 1 2 . 1 1 788 788 GLY N N 788 113.421 113.421 108.063 5.358 25870 926 1 2 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.745 0.572 25870 927 1 2 . 1 1 788 788 GLY H H 788 8.644 8.644 7.855 0.789 25870 928 1 2 . 1 1 789 789 GLU N N 789 121.223 121.223 121.316 -0.093 25870 929 1 2 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.273 -0.125 25870 930 1 2 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.352 -0.008 25870 931 1 2 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.332 0.103 25870 932 1 2 . 1 1 789 789 GLU H H 789 8.514 8.514 8.590 -0.076 25870 933 1 2 . 1 1 790 790 ALA N N 790 122.879 122.879 122.463 0.416 25870 934 1 2 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.179 0.068 25870 935 1 2 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.159 -0.252 25870 936 1 2 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.388 -0.608 25870 937 1 2 . 1 1 790 790 ALA H H 790 8.024 8.024 7.614 0.410 25870 938 1 2 . 1 1 791 791 GLU N N 791 122.622 122.622 119.029 3.593 25870 939 1 2 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.109 0.578 25870 940 1 2 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.448 -0.314 25870 941 1 2 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.411 -0.350 25870 942 1 2 . 1 1 791 791 GLU H H 791 8.280 8.280 7.782 0.498 25870 943 1 2 . 1 1 792 792 PHE N N 792 119.949 119.949 121.276 -1.327 25870 944 1 2 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.238 -0.200 25870 945 1 2 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.016 0.796 25870 946 1 2 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.511 0.087 25870 947 1 2 . 1 1 792 792 PHE H H 792 8.722 8.722 8.821 -0.099 25870 948 1 2 . 1 1 793 793 ALA N N 793 119.652 119.652 121.565 -1.913 25870 949 1 2 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.305 0.549 25870 950 1 2 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.410 0.492 25870 951 1 2 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.825 -0.197 25870 952 1 2 . 1 1 793 793 ALA H H 793 8.163 8.163 7.849 0.314 25870 953 1 2 . 1 1 794 794 ARG N N 794 121.092 121.092 119.364 1.728 25870 954 1 2 . 1 1 794 794 ARG HA H 794 3.910 3.910 3.996 -0.086 25870 955 1 2 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.136 0.335 25870 956 1 2 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.026 0.066 25870 957 1 2 . 1 1 794 794 ARG H H 794 8.034 8.034 7.685 0.349 25870 958 1 2 . 1 1 795 795 ILE N N 795 121.394 121.394 120.960 0.434 25870 959 1 2 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.799 -0.411 25870 960 1 2 . 1 1 795 795 ILE CA C 795 65.848 65.848 64.933 0.915 25870 961 1 2 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.282 -0.073 25870 962 1 2 . 1 1 795 795 ILE H H 795 8.049 8.049 7.873 0.176 25870 963 1 2 . 1 1 796 796 MET N N 796 119.012 119.012 118.956 0.056 25870 964 1 2 . 1 1 796 796 MET HA H 796 4.155 4.155 3.960 0.195 25870 965 1 2 . 1 1 796 796 MET CA C 796 56.470 56.470 58.054 -1.584 25870 966 1 2 . 1 1 796 796 MET CB C 796 29.892 29.892 31.446 -1.554 25870 967 1 2 . 1 1 796 796 MET H H 796 8.589 8.589 8.270 0.319 25870 968 1 2 . 1 1 797 797 SER N N 797 114.132 114.132 112.805 1.327 25870 969 1 2 . 1 1 797 797 SER HA H 797 4.097 4.097 4.252 -0.155 25870 970 1 2 . 1 1 797 797 SER CA C 797 61.231 61.231 60.075 1.156 25870 971 1 2 . 1 1 797 797 SER CB C 797 62.895 62.895 63.437 -0.542 25870 972 1 2 . 1 1 797 797 SER H H 797 7.732 7.732 7.529 0.203 25870 973 1 2 . 1 1 798 798 ILE N N 798 120.873 120.873 116.705 4.168 25870 974 1 2 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.127 -0.309 25870 975 1 2 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.218 0.657 25870 976 1 2 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.831 0.032 25870 977 1 2 . 1 1 798 798 ILE H H 798 7.352 7.352 7.730 -0.378 25870 978 1 2 . 1 1 799 799 VAL N N 799 110.552 110.552 112.395 -1.843 25870 979 1 2 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.075 0.168 25870 980 1 2 . 1 1 799 799 VAL CA C 799 62.616 62.616 61.059 1.557 25870 981 1 2 . 1 1 799 799 VAL CB C 799 32.416 32.416 31.353 1.063 25870 982 1 2 . 1 1 799 799 VAL H H 799 7.648 7.648 7.851 -0.203 25870 983 1 2 . 1 1 800 800 ASP N N 800 119.435 119.435 119.741 -0.306 25870 984 1 2 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.108 0.117 25870 985 1 2 . 1 1 800 800 ASP CA C 800 51.715 51.715 49.914 1.801 25870 986 1 2 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.599 -0.513 25870 987 1 2 . 1 1 800 800 ASP H H 800 8.074 8.074 7.524 0.550 25870 988 1 2 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.434 -0.103 25870 989 1 2 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.743 1.076 25870 990 1 2 . 1 1 801 801 PRO CB C 801 31.689 31.689 32.074 -0.385 25870 991 1 2 . 1 1 802 802 ASN N N 802 115.164 115.164 116.554 -1.390 25870 992 1 2 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.713 0.047 25870 993 1 2 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.788 0.210 25870 994 1 2 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.502 -1.550 25870 995 1 2 . 1 1 802 802 ASN H H 802 8.949 8.949 7.733 1.216 25870 996 1 2 . 1 1 803 803 ARG N N 803 117.446 117.446 115.728 1.718 25870 997 1 2 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.240 -0.410 25870 998 1 2 . 1 1 803 803 ARG CA C 803 56.888 56.888 57.003 -0.115 25870 999 1 2 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.142 -0.788 25870 1000 1 2 . 1 1 803 803 ARG H H 803 7.958 7.958 7.926 0.032 25870 1001 1 2 . 1 1 804 804 LEU N N 804 123.307 123.307 116.363 6.944 25870 1002 1 2 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.711 -0.555 25870 1003 1 2 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.319 2.054 25870 1004 1 2 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.622 1.308 25870 1005 1 2 . 1 1 804 804 LEU H H 804 10.591 10.591 8.201 2.390 25870 1006 1 2 . 1 1 805 805 GLY N N 805 110.516 110.516 107.262 3.254 25870 1007 1 2 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.747 -0.803 25870 1008 1 2 . 1 1 805 805 GLY H H 805 11.001 11.001 8.554 2.447 25870 1009 1 2 . 1 1 806 806 VAL N N 806 109.840 109.840 114.966 -5.126 25870 1010 1 2 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.384 0.187 25870 1011 1 2 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.371 -0.805 25870 1012 1 2 . 1 1 806 806 VAL CB C 806 36.853 36.853 34.794 2.059 25870 1013 1 2 . 1 1 806 806 VAL H H 806 6.831 6.831 7.265 -0.434 25870 1014 1 2 . 1 1 807 807 VAL N N 807 122.184 122.184 122.647 -0.463 25870 1015 1 2 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.481 -0.314 25870 1016 1 2 . 1 1 807 807 VAL CA C 807 61.644 61.644 61.283 0.361 25870 1017 1 2 . 1 1 807 807 VAL CB C 807 32.383 32.383 31.813 0.570 25870 1018 1 2 . 1 1 807 807 VAL H H 807 9.007 9.007 8.923 0.084 25870 1019 1 2 . 1 1 808 808 THR N N 808 117.391 117.391 118.357 -0.966 25870 1020 1 2 . 1 1 808 808 THR HA H 808 4.593 4.593 4.690 -0.097 25870 1021 1 2 . 1 1 808 808 THR CA C 808 60.615 60.615 58.710 1.905 25870 1022 1 2 . 1 1 808 808 THR CB C 808 70.695 70.695 71.329 -0.634 25870 1023 1 2 . 1 1 808 808 THR H H 808 7.925 7.925 7.698 0.227 25870 1024 1 2 . 1 1 809 809 PHE N N 809 122.236 122.236 118.836 3.400 25870 1025 1 2 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.493 -0.853 25870 1026 1 2 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.410 0.339 25870 1027 1 2 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.521 0.656 25870 1028 1 2 . 1 1 809 809 PHE H H 809 9.349 9.349 8.142 1.207 25870 1029 1 2 . 1 1 810 810 GLN N N 810 116.788 116.788 116.845 -0.057 25870 1030 1 2 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.201 -0.603 25870 1031 1 2 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.903 0.679 25870 1032 1 2 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.501 -0.302 25870 1033 1 2 . 1 1 810 810 GLN H H 810 8.572 8.572 7.861 0.711 25870 1034 1 2 . 1 1 811 811 ALA N N 811 121.208 121.208 122.038 -0.830 25870 1035 1 2 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.184 -0.065 25870 1036 1 2 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.797 1.114 25870 1037 1 2 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.796 0.469 25870 1038 1 2 . 1 1 811 811 ALA H H 811 7.667 7.667 7.671 -0.004 25870 1039 1 2 . 1 1 812 812 PHE N N 812 119.805 119.805 118.781 1.024 25870 1040 1 2 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.387 -0.407 25870 1041 1 2 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.090 -0.350 25870 1042 1 2 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.769 0.901 25870 1043 1 2 . 1 1 812 812 PHE H H 812 8.400 8.400 8.340 0.060 25870 1044 1 2 . 1 1 813 813 ILE N N 813 118.098 118.098 118.582 -0.484 25870 1045 1 2 . 1 1 813 813 ILE HA H 813 3.146 3.146 3.990 -0.844 25870 1046 1 2 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.718 0.581 25870 1047 1 2 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.382 -0.180 25870 1048 1 2 . 1 1 813 813 ILE H H 813 8.364 8.364 7.847 0.517 25870 1049 1 2 . 1 1 814 814 ASP N N 814 123.528 123.528 120.515 3.013 25870 1050 1 2 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.362 -0.166 25870 1051 1 2 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.732 -0.052 25870 1052 1 2 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.757 -0.521 25870 1053 1 2 . 1 1 814 814 ASP H H 814 8.221 8.221 7.859 0.362 25870 1054 1 2 . 1 1 815 815 PHE N N 815 120.584 120.584 120.326 0.258 25870 1055 1 2 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.482 -0.353 25870 1056 1 2 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.740 0.343 25870 1057 1 2 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.643 0.055 25870 1058 1 2 . 1 1 815 815 PHE H H 815 7.887 7.887 7.851 0.036 25870 1059 1 2 . 1 1 816 816 MET N N 816 116.960 116.960 120.418 -3.458 25870 1060 1 2 . 1 1 816 816 MET HA H 816 3.782 3.782 4.065 -0.283 25870 1061 1 2 . 1 1 816 816 MET CA C 816 55.662 55.662 57.108 -1.446 25870 1062 1 2 . 1 1 816 816 MET CB C 816 30.033 30.033 31.307 -1.274 25870 1063 1 2 . 1 1 816 816 MET H H 816 8.372 8.372 8.163 0.209 25870 1064 1 2 . 1 1 817 817 SER N N 817 114.277 114.277 113.713 0.564 25870 1065 1 2 . 1 1 817 817 SER HA H 817 4.194 4.194 4.348 -0.154 25870 1066 1 2 . 1 1 817 817 SER CA C 817 60.521 60.521 60.288 0.233 25870 1067 1 2 . 1 1 817 817 SER CB C 817 63.185 63.185 63.369 -0.184 25870 1068 1 2 . 1 1 817 817 SER H H 817 8.074 8.074 8.260 -0.186 25870 1069 1 2 . 1 1 818 818 ARG N N 818 121.493 121.493 119.456 2.037 25870 1070 1 2 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.100 0.024 25870 1071 1 2 . 1 1 818 818 ARG CA C 818 57.684 57.684 56.687 0.997 25870 1072 1 2 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.398 0.917 25870 1073 1 2 . 1 1 818 818 ARG H H 818 7.288 7.288 7.946 -0.658 25870 1074 1 2 . 1 1 819 819 GLU N N 819 119.737 119.737 117.807 1.930 25870 1075 1 2 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.100 0.001 25870 1076 1 2 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.871 -1.805 25870 1077 1 2 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.071 1.420 25870 1078 1 2 . 1 1 819 819 GLU H H 819 8.045 8.045 7.918 0.127 25870 1079 1 2 . 1 1 820 820 THR N N 820 112.128 112.128 109.729 2.399 25870 1080 1 2 . 1 1 820 820 THR HA H 820 4.280 4.280 3.773 0.507 25870 1081 1 2 . 1 1 820 820 THR CA C 820 62.055 62.055 62.427 -0.372 25870 1082 1 2 . 1 1 820 820 THR CB C 820 69.828 69.828 68.786 1.042 25870 1083 1 2 . 1 1 820 820 THR H H 820 7.760 7.760 7.408 0.352 25870 1084 1 2 . 1 1 821 821 ALA N N 821 126.098 126.098 124.974 1.124 25870 1085 1 2 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.268 0.016 25870 1086 1 2 . 1 1 821 821 ALA CA C 821 52.726 52.726 52.706 0.020 25870 1087 1 2 . 1 1 821 821 ALA CB C 821 19.304 19.304 19.949 -0.645 25870 1088 1 2 . 1 1 821 821 ALA H H 821 7.957 7.957 7.431 0.526 25870 1089 1 2 . 1 1 822 822 ASP N N 822 119.904 119.904 116.720 3.184 25870 1090 1 2 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.882 -0.269 25870 1091 1 2 . 1 1 822 822 ASP CA C 822 54.335 54.335 53.759 0.576 25870 1092 1 2 . 1 1 822 822 ASP CB C 822 41.032 41.032 42.668 -1.636 25870 1093 1 2 . 1 1 822 822 ASP H H 822 8.352 8.352 8.305 0.047 25870 1094 1 2 . 1 1 823 823 THR N N 823 114.142 114.142 115.703 -1.561 25870 1095 1 2 . 1 1 823 823 THR HA H 823 4.278 4.278 4.659 -0.381 25870 1096 1 2 . 1 1 823 823 THR CA C 823 62.117 62.117 60.981 1.136 25870 1097 1 2 . 1 1 823 823 THR CB C 823 69.584 69.584 71.145 -1.561 25870 1098 1 2 . 1 1 823 823 THR H H 823 8.079 8.079 8.284 -0.205 25870 1099 1 2 . 1 1 824 824 ASP N N 824 123.261 123.261 119.810 3.451 25870 1100 1 2 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.679 -0.022 25870 1101 1 2 . 1 1 824 824 ASP CA C 824 54.786 54.786 55.900 -1.114 25870 1102 1 2 . 1 1 824 824 ASP CB C 824 41.085 41.085 41.203 -0.118 25870 1103 1 2 . 1 1 824 824 ASP H H 824 8.431 8.431 8.968 -0.537 25870 1104 1 2 . 1 1 825 825 THR N N 825 114.932 114.932 113.679 1.253 25870 1105 1 2 . 1 1 825 825 THR HA H 825 4.161 4.161 4.136 0.025 25870 1106 1 2 . 1 1 825 825 THR CA C 825 63.109 63.109 64.716 -1.607 25870 1107 1 2 . 1 1 825 825 THR CB C 825 69.455 69.455 68.372 1.083 25870 1108 1 2 . 1 1 825 825 THR H H 825 8.155 8.155 8.557 -0.402 25870 1109 1 2 . 1 1 826 826 ALA N N 826 124.961 124.961 124.292 0.669 25870 1110 1 2 . 1 1 826 826 ALA HA H 826 4.160 4.160 3.988 0.172 25870 1111 1 2 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.440 -0.048 25870 1112 1 2 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.171 0.440 25870 1113 1 2 . 1 1 826 826 ALA H H 826 8.379 8.379 8.199 0.180 25870 1114 1 2 . 1 1 827 827 ASP N N 827 117.765 117.765 117.617 0.148 25870 1115 1 2 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.283 0.142 25870 1116 1 2 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.145 -1.094 25870 1117 1 2 . 1 1 827 827 ASP CB C 827 40.559 40.559 40.943 -0.384 25870 1118 1 2 . 1 1 827 827 ASP H H 827 8.250 8.250 7.794 0.456 25870 1119 1 2 . 1 1 828 828 GLN N N 828 120.523 120.523 118.225 2.298 25870 1120 1 2 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.088 0.003 25870 1121 1 2 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.243 -0.429 25870 1122 1 2 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.869 -0.320 25870 1123 1 2 . 1 1 828 828 GLN H H 828 8.076 8.076 7.775 0.301 25870 1124 1 2 . 1 1 829 829 VAL N N 829 120.970 120.970 120.495 0.475 25870 1125 1 2 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.731 -0.206 25870 1126 1 2 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.626 0.568 25870 1127 1 2 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.890 -0.348 25870 1128 1 2 . 1 1 829 829 VAL H H 829 8.051 8.051 7.333 0.718 25870 1129 1 2 . 1 1 830 830 MET N N 830 119.572 119.572 118.083 1.489 25870 1130 1 2 . 1 1 830 830 MET HA H 830 4.006 4.006 3.179 0.827 25870 1131 1 2 . 1 1 830 830 MET CA C 830 57.977 57.977 57.808 0.169 25870 1132 1 2 . 1 1 830 830 MET CB C 830 31.995 31.995 31.824 0.171 25870 1133 1 2 . 1 1 830 830 MET H H 830 8.110 8.110 8.143 -0.033 25870 1134 1 2 . 1 1 831 831 ALA N N 831 121.059 121.059 122.165 -1.106 25870 1135 1 2 . 1 1 831 831 ALA HA H 831 4.045 4.045 4.053 -0.008 25870 1136 1 2 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.678 -0.177 25870 1137 1 2 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.668 0.399 25870 1138 1 2 . 1 1 831 831 ALA H H 831 7.836 7.836 7.421 0.415 25870 1139 1 2 . 1 1 832 832 SER N N 832 114.256 114.256 115.997 -1.741 25870 1140 1 2 . 1 1 832 832 SER HA H 832 4.141 4.141 4.107 0.034 25870 1141 1 2 . 1 1 832 832 SER CA C 832 60.845 60.845 61.520 -0.675 25870 1142 1 2 . 1 1 832 832 SER CB C 832 62.613 62.613 62.795 -0.182 25870 1143 1 2 . 1 1 832 832 SER H H 832 7.714 7.714 7.690 0.024 25870 1144 1 2 . 1 1 833 833 PHE N N 833 121.847 121.847 120.088 1.759 25870 1145 1 2 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.185 -0.362 25870 1146 1 2 . 1 1 833 833 PHE CA C 833 58.627 58.627 58.549 0.078 25870 1147 1 2 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.948 0.179 25870 1148 1 2 . 1 1 833 833 PHE H H 833 7.740 7.740 7.600 0.140 25870 1149 1 2 . 1 1 834 834 LYS N N 834 118.759 118.759 120.283 -1.524 25870 1150 1 2 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.481 0.108 25870 1151 1 2 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.341 1.043 25870 1152 1 2 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.773 0.370 25870 1153 1 2 . 1 1 834 834 LYS H H 834 7.843 7.843 7.739 0.104 25870 1154 1 2 . 1 1 835 835 ILE N N 835 118.537 118.537 119.783 -1.246 25870 1155 1 2 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.781 -0.045 25870 1156 1 2 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.446 -0.732 25870 1157 1 2 . 1 1 835 835 ILE CB C 835 37.825 37.825 38.104 -0.279 25870 1158 1 2 . 1 1 835 835 ILE H H 835 7.315 7.315 7.378 -0.063 25870 1159 1 2 . 1 1 836 836 LEU N N 836 121.201 121.201 119.975 1.226 25870 1160 1 2 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.843 0.112 25870 1161 1 2 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.434 -0.360 25870 1162 1 2 . 1 1 836 836 LEU CB C 836 42.415 42.415 41.978 0.437 25870 1163 1 2 . 1 1 836 836 LEU H H 836 7.625 7.625 7.860 -0.235 25870 1164 1 2 . 1 1 837 837 ALA N N 837 119.184 119.184 118.196 0.988 25870 1165 1 2 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.924 -0.029 25870 1166 1 2 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.814 -0.513 25870 1167 1 2 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.099 0.239 25870 1168 1 2 . 1 1 837 837 ALA H H 837 8.099 8.099 7.732 0.367 25870 1169 1 2 . 1 1 838 838 GLY N N 838 107.030 107.030 106.698 0.332 25870 1170 1 2 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.417 0.501 25870 1171 1 2 . 1 1 838 838 GLY H H 838 7.676 7.676 8.080 -0.404 25870 1172 1 2 . 1 1 839 839 ASP N N 839 122.291 122.291 124.597 -2.306 25870 1173 1 2 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.882 -0.405 25870 1174 1 2 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.748 0.763 25870 1175 1 2 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.896 -1.715 25870 1176 1 2 . 1 1 839 839 ASP H H 839 8.704 8.704 8.201 0.503 25870 1177 1 2 . 1 1 840 840 LYS N N 840 117.582 117.582 120.612 -3.030 25870 1178 1 2 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.493 -0.192 25870 1179 1 2 . 1 1 840 840 LYS CA C 840 55.780 55.780 55.882 -0.102 25870 1180 1 2 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.510 0.200 25870 1181 1 2 . 1 1 840 840 LYS H H 840 7.583 7.583 7.342 0.241 25870 1182 1 2 . 1 1 841 841 ASN N N 841 116.678 116.678 117.328 -0.650 25870 1183 1 2 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.676 -0.065 25870 1184 1 2 . 1 1 841 841 ASN CA C 841 53.466 53.466 53.771 -0.305 25870 1185 1 2 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.147 0.008 25870 1186 1 2 . 1 1 841 841 ASN H H 841 8.693 8.693 8.873 -0.180 25870 1187 1 2 . 1 1 842 842 TYR N N 842 112.236 112.236 114.326 -2.090 25870 1188 1 2 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.790 0.196 25870 1189 1 2 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.313 -1.395 25870 1190 1 2 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.364 0.231 25870 1191 1 2 . 1 1 842 842 TYR H H 842 6.637 6.637 7.266 -0.629 25870 1192 1 2 . 1 1 843 843 ILE N N 843 115.475 115.475 121.378 -5.903 25870 1193 1 2 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.680 0.112 25870 1194 1 2 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.321 0.636 25870 1195 1 2 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.822 0.187 25870 1196 1 2 . 1 1 843 843 ILE H H 843 8.630 8.630 9.249 -0.619 25870 1197 1 2 . 1 1 844 844 THR N N 844 117.169 117.169 118.663 -1.494 25870 1198 1 2 . 1 1 844 844 THR HA H 844 5.370 5.370 5.199 0.171 25870 1199 1 2 . 1 1 844 844 THR CA C 844 60.177 60.177 60.697 -0.520 25870 1200 1 2 . 1 1 844 844 THR CB C 844 71.088 71.088 70.580 0.508 25870 1201 1 2 . 1 1 844 844 THR H H 844 9.330 9.330 9.355 -0.025 25870 1202 1 2 . 1 1 845 845 MET N N 845 119.860 119.860 119.984 -0.124 25870 1203 1 2 . 1 1 845 845 MET HA H 845 3.824 3.824 3.986 -0.162 25870 1204 1 2 . 1 1 845 845 MET CA C 845 60.321 60.321 60.446 -0.125 25870 1205 1 2 . 1 1 845 845 MET CB C 845 33.030 33.030 32.244 0.786 25870 1206 1 2 . 1 1 845 845 MET H H 845 8.556 8.556 8.805 -0.249 25870 1207 1 2 . 1 1 846 846 ASP N N 846 116.363 116.363 118.188 -1.825 25870 1208 1 2 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.384 -0.104 25870 1209 1 2 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.905 0.499 25870 1210 1 2 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.179 0.405 25870 1211 1 2 . 1 1 846 846 ASP H H 846 8.377 8.377 8.682 -0.305 25870 1212 1 2 . 1 1 847 847 GLU N N 847 120.577 120.577 118.666 1.911 25870 1213 1 2 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.152 -0.298 25870 1214 1 2 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.526 1.131 25870 1215 1 2 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.121 -0.461 25870 1216 1 2 . 1 1 847 847 GLU H H 847 7.855 7.855 7.651 0.204 25870 1217 1 2 . 1 1 848 848 LEU N N 848 118.714 118.714 119.857 -1.143 25870 1218 1 2 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.041 -0.219 25870 1219 1 2 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.758 0.966 25870 1220 1 2 . 1 1 848 848 LEU CB C 848 42.457 42.457 41.959 0.498 25870 1221 1 2 . 1 1 848 848 LEU H H 848 7.849 7.849 7.591 0.258 25870 1222 1 2 . 1 1 849 849 ARG N N 849 113.972 113.972 115.279 -1.307 25870 1223 1 2 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.385 -0.461 25870 1224 1 2 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.560 1.035 25870 1225 1 2 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.605 0.495 25870 1226 1 2 . 1 1 849 849 ARG H H 849 8.053 8.053 8.181 -0.128 25870 1227 1 2 . 1 1 850 850 ARG N N 850 118.178 118.178 118.667 -0.489 25870 1228 1 2 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.370 -0.177 25870 1229 1 2 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.777 0.468 25870 1230 1 2 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.363 -0.243 25870 1231 1 2 . 1 1 850 850 ARG H H 850 7.743 7.743 7.523 0.220 25870 1232 1 2 . 1 1 851 851 GLU N N 851 115.518 115.518 118.163 -2.645 25870 1233 1 2 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.320 0.030 25870 1234 1 2 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.852 -0.966 25870 1235 1 2 . 1 1 851 851 GLU CB C 851 31.590 31.590 30.685 0.905 25870 1236 1 2 . 1 1 851 851 GLU H H 851 7.596 7.596 7.816 -0.220 25870 1237 1 2 . 1 1 852 852 LEU N N 852 119.148 119.148 122.015 -2.867 25870 1238 1 2 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.065 -0.171 25870 1239 1 2 . 1 1 852 852 LEU CA C 852 52.174 52.174 50.959 1.215 25870 1240 1 2 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.196 1.273 25870 1241 1 2 . 1 1 852 852 LEU H H 852 7.890 7.890 7.984 -0.094 25870 1242 1 2 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.432 -0.085 25870 1243 1 2 . 1 1 853 853 PRO CA C 853 65.119 65.119 64.159 0.960 25870 1244 1 2 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.778 0.853 25870 1245 1 2 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.487 -0.217 25870 1246 1 2 . 1 1 854 854 PRO CA C 854 66.336 66.336 62.022 4.314 25870 1247 1 2 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.036 -0.780 25870 1248 1 2 . 1 1 855 855 ASP N N 855 114.865 114.865 118.879 -4.014 25870 1249 1 2 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.344 0.005 25870 1250 1 2 . 1 1 855 855 ASP CA C 855 56.913 56.913 56.850 0.063 25870 1251 1 2 . 1 1 855 855 ASP CB C 855 39.244 39.244 39.937 -0.693 25870 1252 1 2 . 1 1 855 855 ASP H H 855 8.801 8.801 8.346 0.455 25870 1253 1 2 . 1 1 856 856 GLN N N 856 121.465 121.465 119.151 2.314 25870 1254 1 2 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.342 -0.143 25870 1255 1 2 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.431 -1.114 25870 1256 1 2 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.227 1.020 25870 1257 1 2 . 1 1 856 856 GLN H H 856 7.472 7.472 8.430 -0.958 25870 1258 1 2 . 1 1 857 857 ALA N N 857 122.805 122.805 122.343 0.462 25870 1259 1 2 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.907 -0.108 25870 1260 1 2 . 1 1 857 857 ALA CA C 857 56.303 56.303 56.084 0.219 25870 1261 1 2 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.285 -0.341 25870 1262 1 2 . 1 1 857 857 ALA H H 857 8.882 8.882 8.182 0.700 25870 1263 1 2 . 1 1 858 858 GLU N N 858 114.094 114.094 118.586 -4.492 25870 1264 1 2 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.020 0.004 25870 1265 1 2 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.619 0.063 25870 1266 1 2 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.057 -0.418 25870 1267 1 2 . 1 1 858 858 GLU H H 858 8.155 8.155 7.900 0.255 25870 1268 1 2 . 1 1 859 859 TYR N N 859 120.665 120.665 122.017 -1.352 25870 1269 1 2 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.108 -0.024 25870 1270 1 2 . 1 1 859 859 TYR CA C 859 61.006 61.006 61.037 -0.031 25870 1271 1 2 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.042 0.645 25870 1272 1 2 . 1 1 859 859 TYR H H 859 7.708 7.708 8.290 -0.582 25870 1273 1 2 . 1 1 860 860 CYS N N 860 115.812 115.812 117.185 -1.373 25870 1274 1 2 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.305 0.853 25870 1275 1 2 . 1 1 860 860 CYS CA C 860 64.254 64.254 63.678 0.576 25870 1276 1 2 . 1 1 860 860 CYS CB C 860 27.304 27.304 27.283 0.021 25870 1277 1 2 . 1 1 860 860 CYS H H 860 8.113 8.113 7.650 0.463 25870 1278 1 2 . 1 1 861 861 ILE N N 861 120.078 120.078 119.681 0.397 25870 1279 1 2 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.596 -0.257 25870 1280 1 2 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.174 0.469 25870 1281 1 2 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.895 0.819 25870 1282 1 2 . 1 1 861 861 ILE H H 861 8.453 8.453 7.770 0.683 25870 1283 1 2 . 1 1 862 862 ALA N N 862 116.691 116.691 120.635 -3.944 25870 1284 1 2 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.042 0.167 25870 1285 1 2 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.573 -1.351 25870 1286 1 2 . 1 1 862 862 ALA CB C 862 19.002 19.002 19.119 -0.117 25870 1287 1 2 . 1 1 862 862 ALA H H 862 7.307 7.307 8.137 -0.830 25870 1288 1 2 . 1 1 863 863 ARG N N 863 117.226 117.226 116.322 0.904 25870 1289 1 2 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.437 -0.163 25870 1290 1 2 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.966 -0.915 25870 1291 1 2 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.886 0.503 25870 1292 1 2 . 1 1 863 863 ARG H H 863 7.358 7.358 7.592 -0.234 25870 1293 1 2 . 1 1 864 864 MET N N 864 117.583 117.583 118.743 -1.160 25870 1294 1 2 . 1 1 864 864 MET HA H 864 4.561 4.561 4.505 0.056 25870 1295 1 2 . 1 1 864 864 MET CA C 864 54.927 54.927 56.187 -1.260 25870 1296 1 2 . 1 1 864 864 MET CB C 864 37.418 37.418 34.060 3.358 25870 1297 1 2 . 1 1 864 864 MET H H 864 7.153 7.153 7.594 -0.441 25870 1298 1 2 . 1 1 865 865 ALA N N 865 124.643 124.643 124.913 -0.270 25870 1299 1 2 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.781 -0.915 25870 1300 1 2 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.187 0.007 25870 1301 1 2 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.303 0.344 25870 1302 1 2 . 1 1 865 865 ALA H H 865 8.557 8.557 8.153 0.404 25870 1303 1 2 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.481 0.015 25870 1304 1 2 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.947 -0.223 25870 1305 1 2 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.435 1.545 25870 1306 1 2 . 1 1 867 867 TYR N N 867 122.461 122.461 126.351 -3.890 25870 1307 1 2 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.554 0.174 25870 1308 1 2 . 1 1 867 867 TYR CA C 867 57.096 57.096 56.074 1.022 25870 1309 1 2 . 1 1 867 867 TYR CB C 867 39.175 39.175 37.771 1.404 25870 1310 1 2 . 1 1 867 867 TYR H H 867 8.128 8.128 8.030 0.098 25870 1311 1 2 . 1 1 868 868 THR HA H 868 4.351 4.351 4.724 -0.373 25870 1312 1 2 . 1 1 868 868 THR CA C 868 60.271 60.271 61.049 -0.778 25870 1313 1 2 . 1 1 868 868 THR CB C 868 68.737 68.737 69.150 -0.413 25870 1314 1 2 . 1 1 869 869 GLY CA C 869 44.914 44.914 42.345 2.569 25870 1315 1 2 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.368 -0.039 25870 1316 1 2 . 1 1 870 870 PRO CA C 870 64.697 64.697 64.102 0.595 25870 1317 1 2 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.147 -0.568 25870 1318 1 2 . 1 1 871 871 ASP N N 871 116.207 116.207 115.699 0.508 25870 1319 1 2 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.606 -0.002 25870 1320 1 2 . 1 1 871 871 ASP CA C 871 52.749 52.749 53.817 -1.068 25870 1321 1 2 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.579 -1.650 25870 1322 1 2 . 1 1 871 871 ASP H H 871 9.267 9.267 8.500 0.767 25870 1323 1 2 . 1 1 872 872 SER N N 872 112.349 112.349 115.179 -2.830 25870 1324 1 2 . 1 1 872 872 SER HA H 872 3.497 3.497 4.580 -1.083 25870 1325 1 2 . 1 1 872 872 SER CA C 872 59.065 59.065 57.490 1.575 25870 1326 1 2 . 1 1 872 872 SER CB C 872 63.125 63.125 64.488 -1.363 25870 1327 1 2 . 1 1 872 872 SER H H 872 7.487 7.487 7.518 -0.031 25870 1328 1 2 . 1 1 873 873 VAL N N 873 113.567 113.567 113.391 0.176 25870 1329 1 2 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.616 0.113 25870 1330 1 2 . 1 1 873 873 VAL CA C 873 58.044 58.044 58.279 -0.235 25870 1331 1 2 . 1 1 873 873 VAL CB C 873 32.911 32.911 32.504 0.407 25870 1332 1 2 . 1 1 873 873 VAL H H 873 6.411 6.411 8.164 -1.753 25870 1333 1 2 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.450 -0.154 25870 1334 1 2 . 1 1 874 874 PRO CA C 874 64.335 64.335 64.101 0.234 25870 1335 1 2 . 1 1 874 874 PRO CB C 874 31.515 31.515 32.038 -0.523 25870 1336 1 2 . 1 1 875 875 GLY N N 875 112.118 112.118 107.069 5.049 25870 1337 1 2 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.249 1.308 25870 1338 1 2 . 1 1 875 875 GLY H H 875 8.800 8.800 8.182 0.618 25870 1339 1 2 . 1 1 876 876 ALA N N 876 120.262 120.262 123.764 -3.502 25870 1340 1 2 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.515 -1.415 25870 1341 1 2 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.329 2.744 25870 1342 1 2 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.600 -1.092 25870 1343 1 2 . 1 1 876 876 ALA H H 876 7.762 7.762 7.531 0.231 25870 1344 1 2 . 1 1 877 877 LEU N N 877 125.695 125.695 121.005 4.690 25870 1345 1 2 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.186 -0.410 25870 1346 1 2 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.783 0.486 25870 1347 1 2 . 1 1 877 877 LEU CB C 877 44.799 44.799 46.994 -2.195 25870 1348 1 2 . 1 1 877 877 LEU H H 877 9.595 9.595 9.358 0.237 25870 1349 1 2 . 1 1 878 878 ASP N N 878 119.823 119.823 121.563 -1.740 25870 1350 1 2 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.596 0.283 25870 1351 1 2 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.558 -0.561 25870 1352 1 2 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.630 -0.849 25870 1353 1 2 . 1 1 878 878 ASP H H 878 9.031 9.031 7.831 1.200 25870 1354 1 2 . 1 1 879 879 TYR N N 879 126.556 126.556 123.926 2.630 25870 1355 1 2 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.356 0.235 25870 1356 1 2 . 1 1 879 879 TYR CA C 879 59.396 59.396 60.127 -0.731 25870 1357 1 2 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.821 -0.500 25870 1358 1 2 . 1 1 879 879 TYR H H 879 7.456 7.456 8.128 -0.672 25870 1359 1 2 . 1 1 880 880 MET N N 880 119.958 119.958 115.066 4.892 25870 1360 1 2 . 1 1 880 880 MET HA H 880 4.605 4.605 4.724 -0.119 25870 1361 1 2 . 1 1 880 880 MET CA C 880 56.044 56.044 57.327 -1.282 25870 1362 1 2 . 1 1 880 880 MET CB C 880 30.101 30.101 33.239 -3.138 25870 1363 1 2 . 1 1 880 880 MET H H 880 7.627 7.627 7.487 0.140 25870 1364 1 2 . 1 1 881 881 SER N N 881 114.328 114.328 115.782 -1.454 25870 1365 1 2 . 1 1 881 881 SER HA H 881 4.471 4.471 4.678 -0.207 25870 1366 1 2 . 1 1 881 881 SER CA C 881 58.917 58.917 57.181 1.736 25870 1367 1 2 . 1 1 881 881 SER CB C 881 64.447 64.447 63.608 0.839 25870 1368 1 2 . 1 1 881 881 SER H H 881 7.726 7.726 8.103 -0.377 25870 1369 1 2 . 1 1 882 882 PHE N N 882 122.735 122.735 121.225 1.510 25870 1370 1 2 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.352 0.370 25870 1371 1 2 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.808 1.423 25870 1372 1 2 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.407 0.878 25870 1373 1 2 . 1 1 882 882 PHE H H 882 7.385 7.385 7.381 0.004 25870 1374 1 2 . 1 1 883 883 SER N N 883 120.156 120.156 117.650 2.506 25870 1375 1 2 . 1 1 883 883 SER HA H 883 4.299 4.299 4.163 0.136 25870 1376 1 2 . 1 1 883 883 SER CA C 883 57.280 57.280 58.923 -1.643 25870 1377 1 2 . 1 1 883 883 SER CB C 883 64.601 64.601 63.650 0.951 25870 1378 1 2 . 1 1 883 883 SER H H 883 7.472 7.472 8.009 -0.537 25870 1379 1 2 . 1 1 884 884 THR N N 884 110.683 110.683 117.898 -7.215 25870 1380 1 2 . 1 1 884 884 THR HA H 884 3.966 3.966 3.872 0.094 25870 1381 1 2 . 1 1 884 884 THR CA C 884 63.465 63.465 62.336 1.129 25870 1382 1 2 . 1 1 884 884 THR CB C 884 68.899 68.899 68.358 0.541 25870 1383 1 2 . 1 1 884 884 THR H H 884 7.996 7.996 8.231 -0.235 25870 1384 1 2 . 1 1 885 885 ALA N N 885 125.456 125.456 122.482 2.974 25870 1385 1 2 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.534 -0.298 25870 1386 1 2 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.016 1.014 25870 1387 1 2 . 1 1 885 885 ALA CB C 885 19.225 19.225 21.199 -1.974 25870 1388 1 2 . 1 1 885 885 ALA H H 885 7.905 7.905 7.206 0.699 25870 1389 1 2 . 1 1 886 886 LEU N N 886 120.638 120.638 119.918 0.720 25870 1390 1 2 . 1 1 886 886 LEU HA H 886 4.002 4.002 4.219 -0.217 25870 1391 1 2 . 1 1 886 886 LEU CA C 886 55.462 55.462 54.508 0.954 25870 1392 1 2 . 1 1 886 886 LEU CB C 886 42.265 42.265 42.998 -0.734 25870 1393 1 2 . 1 1 886 886 LEU H H 886 8.079 8.079 8.180 -0.101 25870 1394 1 2 . 1 1 887 887 TYR N N 887 121.526 121.526 119.416 2.110 25870 1395 1 2 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.470 -0.114 25870 1396 1 2 . 1 1 887 887 TYR CA C 887 58.750 58.750 56.897 1.853 25870 1397 1 2 . 1 1 887 887 TYR CB C 887 38.569 38.569 35.672 2.897 25870 1398 1 2 . 1 1 887 887 TYR H H 887 8.267 8.267 8.181 0.086 25870 1399 1 2 . 1 1 888 888 GLY N N 888 112.379 112.379 109.515 2.864 25870 1400 1 2 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.496 0.594 25870 1401 1 2 . 1 1 888 888 GLY H H 888 8.087 8.087 7.806 0.281 25870 1402 1 2 . 1 1 889 889 GLU N N 889 120.255 120.255 120.580 -0.325 25870 1403 1 2 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.353 -0.097 25870 1404 1 2 . 1 1 889 889 GLU CA C 889 56.445 56.445 57.247 -0.802 25870 1405 1 2 . 1 1 889 889 GLU CB C 889 30.393 30.393 30.081 0.312 25870 1406 1 2 . 1 1 889 889 GLU H H 889 7.994 7.994 8.460 -0.466 25870 1407 1 2 . 1 1 890 890 SER N N 890 116.375 116.375 117.396 -1.021 25870 1408 1 2 . 1 1 890 890 SER HA H 890 4.415 4.415 4.786 -0.371 25870 1409 1 2 . 1 1 890 890 SER CA C 890 58.204 58.204 57.909 0.295 25870 1410 1 2 . 1 1 890 890 SER CB C 890 63.913 63.913 64.481 -0.568 25870 1411 1 2 . 1 1 890 890 SER H H 890 8.329 8.329 8.224 0.105 25870 1412 1 2 . 1 1 891 891 ASP N N 891 123.017 123.017 122.185 0.832 25870 1413 1 2 . 1 1 891 891 ASP HA H 891 4.610 4.610 5.173 -0.563 25870 1414 1 2 . 1 1 891 891 ASP CA C 891 54.371 54.371 53.610 0.761 25870 1415 1 2 . 1 1 891 891 ASP CB C 891 41.013 41.013 41.871 -0.858 25870 1416 1 2 . 1 1 891 891 ASP H H 891 8.394 8.394 8.733 -0.339 25870 1417 1 3 . 1 1 742 742 SER HA H 742 4.525 4.525 4.348 0.177 25870 1418 1 3 . 1 1 742 742 SER CA C 742 58.148 58.148 59.213 -1.065 25870 1419 1 3 . 1 1 742 742 SER CB C 742 63.791 63.791 63.664 0.127 25870 1420 1 3 . 1 1 743 743 ILE N N 743 122.172 122.172 121.700 0.472 25870 1421 1 3 . 1 1 743 743 ILE HA H 743 4.362 4.362 3.952 0.410 25870 1422 1 3 . 1 1 743 743 ILE CA C 743 60.421 60.421 61.719 -1.298 25870 1423 1 3 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.949 0.217 25870 1424 1 3 . 1 1 743 743 ILE H H 743 8.132 8.132 7.534 0.598 25870 1425 1 3 . 1 1 744 744 SER N N 744 123.144 123.144 121.629 1.515 25870 1426 1 3 . 1 1 744 744 SER HA H 744 4.449 4.449 4.698 -0.249 25870 1427 1 3 . 1 1 744 744 SER CA C 744 57.463 57.463 57.330 0.133 25870 1428 1 3 . 1 1 744 744 SER CB C 744 65.219 65.219 65.708 -0.489 25870 1429 1 3 . 1 1 744 744 SER H H 744 8.848 8.848 8.368 0.480 25870 1430 1 3 . 1 1 745 745 GLN N N 745 121.619 121.619 121.390 0.229 25870 1431 1 3 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.165 -0.213 25870 1432 1 3 . 1 1 745 745 GLN CA C 745 58.768 58.768 58.947 -0.179 25870 1433 1 3 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.633 -0.121 25870 1434 1 3 . 1 1 745 745 GLN H H 745 9.042 9.042 9.118 -0.076 25870 1435 1 3 . 1 1 746 746 GLU N N 746 118.648 118.648 118.813 -0.165 25870 1436 1 3 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.214 -0.210 25870 1437 1 3 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.449 1.774 25870 1438 1 3 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.420 -0.566 25870 1439 1 3 . 1 1 746 746 GLU H H 746 8.721 8.721 8.386 0.335 25870 1440 1 3 . 1 1 747 747 GLN N N 747 120.463 120.463 120.543 -0.080 25870 1441 1 3 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.127 -0.361 25870 1442 1 3 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.808 -0.502 25870 1443 1 3 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.607 0.341 25870 1444 1 3 . 1 1 747 747 GLN H H 747 7.838 7.838 8.328 -0.490 25870 1445 1 3 . 1 1 748 748 MET N N 748 119.252 119.252 115.096 4.156 25870 1446 1 3 . 1 1 748 748 MET HA H 748 4.200 4.200 4.488 -0.288 25870 1447 1 3 . 1 1 748 748 MET CA C 748 58.096 58.096 59.122 -1.026 25870 1448 1 3 . 1 1 748 748 MET CB C 748 30.900 30.900 32.409 -1.509 25870 1449 1 3 . 1 1 748 748 MET H H 748 8.473 8.473 8.082 0.391 25870 1450 1 3 . 1 1 749 749 ASN N N 749 117.740 117.740 118.510 -0.770 25870 1451 1 3 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.504 -0.030 25870 1452 1 3 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.974 -0.179 25870 1453 1 3 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.858 -1.445 25870 1454 1 3 . 1 1 749 749 ASN H H 749 8.334 8.334 7.661 0.673 25870 1455 1 3 . 1 1 750 750 GLU N N 750 122.848 122.848 119.999 2.849 25870 1456 1 3 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.175 0.029 25870 1457 1 3 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.625 0.716 25870 1458 1 3 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.297 -0.113 25870 1459 1 3 . 1 1 750 750 GLU H H 750 7.838 7.838 8.363 -0.525 25870 1460 1 3 . 1 1 751 751 PHE N N 751 120.177 120.177 122.542 -2.365 25870 1461 1 3 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.437 0.584 25870 1462 1 3 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.534 -1.181 25870 1463 1 3 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.628 -1.831 25870 1464 1 3 . 1 1 751 751 PHE H H 751 8.785 8.785 8.616 0.169 25870 1465 1 3 . 1 1 752 752 ARG N N 752 120.528 120.528 120.187 0.341 25870 1466 1 3 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.930 0.230 25870 1467 1 3 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.307 1.397 25870 1468 1 3 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.605 1.363 25870 1469 1 3 . 1 1 752 752 ARG H H 752 9.016 9.016 8.011 1.005 25870 1470 1 3 . 1 1 753 753 ALA N N 753 121.112 121.112 122.510 -1.398 25870 1471 1 3 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.447 -0.202 25870 1472 1 3 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.510 0.821 25870 1473 1 3 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.831 -0.007 25870 1474 1 3 . 1 1 753 753 ALA H H 753 8.100 8.100 7.901 0.199 25870 1475 1 3 . 1 1 754 754 SER N N 754 115.589 115.589 115.057 0.532 25870 1476 1 3 . 1 1 754 754 SER HA H 754 4.452 4.452 4.301 0.151 25870 1477 1 3 . 1 1 754 754 SER CA C 754 62.675 62.675 59.750 2.925 25870 1478 1 3 . 1 1 754 754 SER CB C 754 63.359 63.359 62.719 0.640 25870 1479 1 3 . 1 1 754 754 SER H H 754 8.391 8.391 7.884 0.507 25870 1480 1 3 . 1 1 755 755 PHE N N 755 121.886 121.886 118.500 3.386 25870 1481 1 3 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.970 -0.328 25870 1482 1 3 . 1 1 755 755 PHE CA C 755 61.964 61.964 58.708 3.256 25870 1483 1 3 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.503 1.319 25870 1484 1 3 . 1 1 755 755 PHE H H 755 8.675 8.675 7.663 1.012 25870 1485 1 3 . 1 1 756 756 ASN N N 756 113.618 113.618 113.039 0.579 25870 1486 1 3 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.450 -0.023 25870 1487 1 3 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.282 3.329 25870 1488 1 3 . 1 1 756 756 ASN CB C 756 37.838 37.838 39.196 -1.358 25870 1489 1 3 . 1 1 756 756 ASN H H 756 8.593 8.593 7.751 0.842 25870 1490 1 3 . 1 1 757 757 HIS N N 757 119.679 119.679 120.697 -1.018 25870 1491 1 3 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.307 -0.228 25870 1492 1 3 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.418 0.926 25870 1493 1 3 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.386 -0.497 25870 1494 1 3 . 1 1 757 757 HIS H H 757 8.139 8.139 7.746 0.393 25870 1495 1 3 . 1 1 758 758 PHE N N 758 113.051 113.051 116.109 -3.058 25870 1496 1 3 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.440 -0.379 25870 1497 1 3 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.290 2.407 25870 1498 1 3 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.370 -1.635 25870 1499 1 3 . 1 1 758 758 PHE H H 758 7.585 7.585 7.507 0.078 25870 1500 1 3 . 1 1 759 759 ASP N N 759 120.916 120.916 121.111 -0.195 25870 1501 1 3 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.399 0.110 25870 1502 1 3 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.713 -2.542 25870 1503 1 3 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.392 -2.382 25870 1504 1 3 . 1 1 759 759 ASP H H 759 7.423 7.423 7.965 -0.542 25870 1505 1 3 . 1 1 760 760 ARG N N 760 124.819 124.819 126.358 -1.539 25870 1506 1 3 . 1 1 760 760 ARG HA H 760 3.768 3.768 3.930 -0.162 25870 1507 1 3 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.670 -0.395 25870 1508 1 3 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.564 -0.315 25870 1509 1 3 . 1 1 760 760 ARG H H 760 7.781 7.781 8.282 -0.501 25870 1510 1 3 . 1 1 761 761 ASP N N 761 113.673 113.673 113.396 0.277 25870 1511 1 3 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.706 -0.223 25870 1512 1 3 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.347 -1.370 25870 1513 1 3 . 1 1 761 761 ASP CB C 761 39.522 39.522 40.927 -1.405 25870 1514 1 3 . 1 1 761 761 ASP H H 761 7.821 7.821 7.960 -0.139 25870 1515 1 3 . 1 1 762 762 HIS N N 762 114.966 114.966 116.012 -1.046 25870 1516 1 3 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.286 -0.125 25870 1517 1 3 . 1 1 762 762 HIS CA C 762 56.618 56.618 57.185 -0.567 25870 1518 1 3 . 1 1 762 762 HIS CB C 762 26.380 26.380 27.703 -1.323 25870 1519 1 3 . 1 1 762 762 HIS H H 762 7.744 7.744 7.584 0.160 25870 1520 1 3 . 1 1 763 763 SER N N 763 115.077 115.077 114.441 0.636 25870 1521 1 3 . 1 1 763 763 SER HA H 763 4.336 4.336 4.385 -0.049 25870 1522 1 3 . 1 1 763 763 SER CA C 763 59.860 59.860 60.145 -0.284 25870 1523 1 3 . 1 1 763 763 SER CB C 763 65.192 65.192 63.964 1.228 25870 1524 1 3 . 1 1 763 763 SER H H 763 8.726 8.726 8.720 0.006 25870 1525 1 3 . 1 1 764 764 GLY N N 764 116.915 116.915 110.650 6.265 25870 1526 1 3 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.558 -0.109 25870 1527 1 3 . 1 1 764 764 GLY H H 764 11.017 11.017 8.912 2.105 25870 1528 1 3 . 1 1 765 765 THR N N 765 107.334 107.334 110.190 -2.856 25870 1529 1 3 . 1 1 765 765 THR HA H 765 4.829 4.829 5.216 -0.387 25870 1530 1 3 . 1 1 765 765 THR CA C 765 58.759 58.759 60.190 -1.431 25870 1531 1 3 . 1 1 765 765 THR CB C 765 73.383 73.383 72.220 1.163 25870 1532 1 3 . 1 1 765 765 THR H H 765 7.693 7.693 8.100 -0.407 25870 1533 1 3 . 1 1 766 766 LEU N N 766 124.664 124.664 124.433 0.231 25870 1534 1 3 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.645 0.255 25870 1535 1 3 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.711 -1.372 25870 1536 1 3 . 1 1 766 766 LEU CB C 766 42.339 42.339 43.007 -0.668 25870 1537 1 3 . 1 1 766 766 LEU H H 766 9.209 9.209 8.689 0.520 25870 1538 1 3 . 1 1 767 767 GLY N N 767 112.024 112.024 111.939 0.085 25870 1539 1 3 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.782 0.341 25870 1540 1 3 . 1 1 767 767 GLY H H 767 8.910 8.910 8.855 0.055 25870 1541 1 3 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.533 -0.215 25870 1542 1 3 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.240 0.887 25870 1543 1 3 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.090 -0.061 25870 1544 1 3 . 1 1 769 769 GLU N N 769 115.246 115.246 117.028 -1.782 25870 1545 1 3 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.119 -0.148 25870 1546 1 3 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.520 1.101 25870 1547 1 3 . 1 1 769 769 GLU CB C 769 28.628 28.628 29.039 -0.411 25870 1548 1 3 . 1 1 769 769 GLU H H 769 8.622 8.622 9.020 -0.398 25870 1549 1 3 . 1 1 770 770 GLU N N 770 121.127 121.127 118.127 3.000 25870 1550 1 3 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.184 0.088 25870 1551 1 3 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.476 0.021 25870 1552 1 3 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.892 1.480 25870 1553 1 3 . 1 1 770 770 GLU H H 770 7.493 7.493 8.086 -0.593 25870 1554 1 3 . 1 1 771 771 PHE N N 771 117.688 117.688 122.039 -4.351 25870 1555 1 3 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.255 0.100 25870 1556 1 3 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.595 -1.970 25870 1557 1 3 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.451 -0.641 25870 1558 1 3 . 1 1 771 771 PHE H H 771 9.110 9.110 8.935 0.175 25870 1559 1 3 . 1 1 772 772 LYS N N 772 119.789 119.789 118.452 1.337 25870 1560 1 3 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.613 -0.300 25870 1561 1 3 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.227 2.445 25870 1562 1 3 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.803 1.175 25870 1563 1 3 . 1 1 772 772 LYS H H 772 8.594 8.594 8.100 0.494 25870 1564 1 3 . 1 1 773 773 ALA N N 773 118.461 118.461 120.700 -2.239 25870 1565 1 3 . 1 1 773 773 ALA HA H 773 3.881 3.881 3.997 -0.116 25870 1566 1 3 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.770 1.243 25870 1567 1 3 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.917 -1.288 25870 1568 1 3 . 1 1 773 773 ALA H H 773 7.231 7.231 7.513 -0.282 25870 1569 1 3 . 1 1 774 774 CYS N N 774 120.913 120.913 119.360 1.553 25870 1570 1 3 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.846 -0.411 25870 1571 1 3 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.379 -0.205 25870 1572 1 3 . 1 1 774 774 CYS CB C 774 26.215 26.215 26.264 -0.049 25870 1573 1 3 . 1 1 774 774 CYS H H 774 7.498 7.498 7.545 -0.047 25870 1574 1 3 . 1 1 775 775 LEU N N 775 119.201 119.201 119.088 0.113 25870 1575 1 3 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.550 0.216 25870 1576 1 3 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.541 1.391 25870 1577 1 3 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.234 -0.284 25870 1578 1 3 . 1 1 775 775 LEU H H 775 8.372 8.372 7.569 0.803 25870 1579 1 3 . 1 1 776 776 ILE N N 776 121.051 121.051 118.592 2.459 25870 1580 1 3 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.518 1.572 25870 1581 1 3 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.191 1.053 25870 1582 1 3 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.243 0.748 25870 1583 1 3 . 1 1 776 776 ILE H H 776 8.358 8.358 6.634 1.724 25870 1584 1 3 . 1 1 777 777 SER N N 777 119.109 119.109 113.645 5.464 25870 1585 1 3 . 1 1 777 777 SER HA H 777 4.291 4.291 4.163 0.128 25870 1586 1 3 . 1 1 777 777 SER CA C 777 61.725 61.725 59.807 1.918 25870 1587 1 3 . 1 1 777 777 SER CB C 777 62.995 62.995 63.143 -0.148 25870 1588 1 3 . 1 1 777 777 SER H H 777 7.822 7.822 7.234 0.589 25870 1589 1 3 . 1 1 778 778 LEU N N 778 121.208 121.208 117.472 3.736 25870 1590 1 3 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.394 0.112 25870 1591 1 3 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.821 1.178 25870 1592 1 3 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.502 0.168 25870 1593 1 3 . 1 1 778 778 LEU H H 778 7.671 7.671 7.080 0.591 25870 1594 1 3 . 1 1 779 779 GLY N N 779 106.232 106.232 106.877 -0.645 25870 1595 1 3 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.066 0.221 25870 1596 1 3 . 1 1 779 779 GLY H H 779 7.897 7.897 7.266 0.631 25870 1597 1 3 . 1 1 780 780 TYR N N 780 120.772 120.772 117.943 2.829 25870 1598 1 3 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.595 -0.453 25870 1599 1 3 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.165 4.066 25870 1600 1 3 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.422 -0.081 25870 1601 1 3 . 1 1 780 780 TYR H H 780 8.072 8.072 7.446 0.626 25870 1602 1 3 . 1 1 781 781 ASP N N 781 124.304 124.304 117.960 6.344 25870 1603 1 3 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.685 -0.020 25870 1604 1 3 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.809 -0.662 25870 1605 1 3 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.426 -0.622 25870 1606 1 3 . 1 1 781 781 ASP H H 781 8.862 8.862 9.119 -0.257 25870 1607 1 3 . 1 1 782 782 ILE N N 782 122.271 122.271 112.856 9.415 25870 1608 1 3 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.290 0.051 25870 1609 1 3 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.767 -0.776 25870 1610 1 3 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.364 -2.457 25870 1611 1 3 . 1 1 782 782 ILE H H 782 7.344 7.344 6.916 0.428 25870 1612 1 3 . 1 1 783 783 GLY N N 783 112.322 112.322 108.353 3.969 25870 1613 1 3 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.457 0.066 25870 1614 1 3 . 1 1 783 783 GLY H H 783 8.122 8.122 8.356 -0.234 25870 1615 1 3 . 1 1 784 784 ASN N N 784 118.727 118.727 115.575 3.152 25870 1616 1 3 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.383 0.499 25870 1617 1 3 . 1 1 784 784 ASN CA C 784 52.098 52.098 54.655 -2.557 25870 1618 1 3 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.225 -0.801 25870 1619 1 3 . 1 1 784 784 ASN H H 784 8.452 8.452 8.529 -0.077 25870 1620 1 3 . 1 1 785 785 ASP N N 785 119.826 119.826 118.156 1.670 25870 1621 1 3 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.877 -0.099 25870 1622 1 3 . 1 1 785 785 ASP CA C 785 52.164 52.164 51.899 0.265 25870 1623 1 3 . 1 1 785 785 ASP CB C 785 39.657 39.657 42.154 -2.497 25870 1624 1 3 . 1 1 785 785 ASP H H 785 8.145 8.145 7.815 0.330 25870 1625 1 3 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.423 -0.152 25870 1626 1 3 . 1 1 786 786 PRO CA C 786 66.265 66.265 64.357 1.908 25870 1627 1 3 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.331 -0.320 25870 1628 1 3 . 1 1 787 787 GLN N N 787 118.097 118.097 118.308 -0.211 25870 1629 1 3 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.112 0.029 25870 1630 1 3 . 1 1 787 787 GLN CA C 787 59.115 59.115 57.991 1.124 25870 1631 1 3 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.851 -1.119 25870 1632 1 3 . 1 1 787 787 GLN H H 787 8.409 8.409 8.548 -0.139 25870 1633 1 3 . 1 1 788 788 GLY N N 788 113.421 113.421 107.833 5.588 25870 1634 1 3 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.868 0.449 25870 1635 1 3 . 1 1 788 788 GLY H H 788 8.644 8.644 9.098 -0.454 25870 1636 1 3 . 1 1 789 789 GLU N N 789 121.223 121.223 121.249 -0.026 25870 1637 1 3 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.308 -0.160 25870 1638 1 3 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.218 0.126 25870 1639 1 3 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.369 0.066 25870 1640 1 3 . 1 1 789 789 GLU H H 789 8.514 8.514 8.031 0.483 25870 1641 1 3 . 1 1 790 790 ALA N N 790 122.879 122.879 122.564 0.315 25870 1642 1 3 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.225 0.022 25870 1643 1 3 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.100 -0.193 25870 1644 1 3 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.494 -0.714 25870 1645 1 3 . 1 1 790 790 ALA H H 790 8.024 8.024 7.785 0.239 25870 1646 1 3 . 1 1 791 791 GLU N N 791 122.622 122.622 119.351 3.271 25870 1647 1 3 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.090 0.597 25870 1648 1 3 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.790 -0.656 25870 1649 1 3 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.500 -0.438 25870 1650 1 3 . 1 1 791 791 GLU H H 791 8.280 8.280 7.874 0.406 25870 1651 1 3 . 1 1 792 792 PHE N N 792 119.949 119.949 120.894 -0.945 25870 1652 1 3 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.239 -0.201 25870 1653 1 3 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.134 0.678 25870 1654 1 3 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.531 0.067 25870 1655 1 3 . 1 1 792 792 PHE H H 792 8.722 8.722 8.829 -0.107 25870 1656 1 3 . 1 1 793 793 ALA N N 793 119.652 119.652 121.794 -2.142 25870 1657 1 3 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.304 0.550 25870 1658 1 3 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.533 0.369 25870 1659 1 3 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.847 -0.219 25870 1660 1 3 . 1 1 793 793 ALA H H 793 8.163 8.163 7.669 0.494 25870 1661 1 3 . 1 1 794 794 ARG N N 794 121.092 121.092 119.437 1.655 25870 1662 1 3 . 1 1 794 794 ARG HA H 794 3.910 3.910 4.022 -0.112 25870 1663 1 3 . 1 1 794 794 ARG CA C 794 59.471 59.471 58.843 0.629 25870 1664 1 3 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.005 0.087 25870 1665 1 3 . 1 1 794 794 ARG H H 794 8.034 8.034 7.667 0.367 25870 1666 1 3 . 1 1 795 795 ILE N N 795 121.394 121.394 121.118 0.276 25870 1667 1 3 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.746 -0.358 25870 1668 1 3 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.116 0.732 25870 1669 1 3 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.120 0.089 25870 1670 1 3 . 1 1 795 795 ILE H H 795 8.049 8.049 7.978 0.071 25870 1671 1 3 . 1 1 796 796 MET N N 796 119.012 119.012 118.237 0.775 25870 1672 1 3 . 1 1 796 796 MET HA H 796 4.155 4.155 3.927 0.228 25870 1673 1 3 . 1 1 796 796 MET CA C 796 56.470 56.470 58.032 -1.562 25870 1674 1 3 . 1 1 796 796 MET CB C 796 29.892 29.892 31.537 -1.645 25870 1675 1 3 . 1 1 796 796 MET H H 796 8.589 8.589 8.241 0.348 25870 1676 1 3 . 1 1 797 797 SER N N 797 114.132 114.132 112.773 1.359 25870 1677 1 3 . 1 1 797 797 SER HA H 797 4.097 4.097 4.280 -0.183 25870 1678 1 3 . 1 1 797 797 SER CA C 797 61.231 61.231 59.927 1.304 25870 1679 1 3 . 1 1 797 797 SER CB C 797 62.895 62.895 63.424 -0.529 25870 1680 1 3 . 1 1 797 797 SER H H 797 7.732 7.732 7.487 0.245 25870 1681 1 3 . 1 1 798 798 ILE N N 798 120.873 120.873 116.620 4.253 25870 1682 1 3 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.129 -0.311 25870 1683 1 3 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.116 0.759 25870 1684 1 3 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.874 -0.011 25870 1685 1 3 . 1 1 798 798 ILE H H 798 7.352 7.352 7.658 -0.306 25870 1686 1 3 . 1 1 799 799 VAL N N 799 110.552 110.552 112.574 -2.022 25870 1687 1 3 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.084 0.159 25870 1688 1 3 . 1 1 799 799 VAL CA C 799 62.616 62.616 61.062 1.554 25870 1689 1 3 . 1 1 799 799 VAL CB C 799 32.416 32.416 31.389 1.027 25870 1690 1 3 . 1 1 799 799 VAL H H 799 7.648 7.648 7.887 -0.239 25870 1691 1 3 . 1 1 800 800 ASP N N 800 119.435 119.435 120.556 -1.121 25870 1692 1 3 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.097 0.128 25870 1693 1 3 . 1 1 800 800 ASP CA C 800 51.715 51.715 49.914 1.801 25870 1694 1 3 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.577 -0.491 25870 1695 1 3 . 1 1 800 800 ASP H H 800 8.074 8.074 7.468 0.606 25870 1696 1 3 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.363 -0.032 25870 1697 1 3 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.944 0.875 25870 1698 1 3 . 1 1 801 801 PRO CB C 801 31.689 31.689 32.011 -0.322 25870 1699 1 3 . 1 1 802 802 ASN N N 802 115.164 115.164 116.672 -1.508 25870 1700 1 3 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.721 0.039 25870 1701 1 3 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.824 0.174 25870 1702 1 3 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.520 -1.568 25870 1703 1 3 . 1 1 802 802 ASN H H 802 8.949 8.949 7.638 1.311 25870 1704 1 3 . 1 1 803 803 ARG N N 803 117.446 117.446 116.517 0.929 25870 1705 1 3 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.160 -0.330 25870 1706 1 3 . 1 1 803 803 ARG CA C 803 56.888 56.888 57.055 -0.167 25870 1707 1 3 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.502 -1.148 25870 1708 1 3 . 1 1 803 803 ARG H H 803 7.958 7.958 7.906 0.052 25870 1709 1 3 . 1 1 804 804 LEU N N 804 123.307 123.307 116.604 6.703 25870 1710 1 3 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.720 -0.564 25870 1711 1 3 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.503 1.870 25870 1712 1 3 . 1 1 804 804 LEU CB C 804 42.930 42.930 42.061 0.869 25870 1713 1 3 . 1 1 804 804 LEU H H 804 10.591 10.591 8.195 2.396 25870 1714 1 3 . 1 1 805 805 GLY N N 805 110.516 110.516 107.815 2.701 25870 1715 1 3 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.783 -0.839 25870 1716 1 3 . 1 1 805 805 GLY H H 805 11.001 11.001 8.830 2.171 25870 1717 1 3 . 1 1 806 806 VAL N N 806 109.840 109.840 114.962 -5.122 25870 1718 1 3 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.320 0.251 25870 1719 1 3 . 1 1 806 806 VAL CA C 806 58.566 58.566 60.203 -1.637 25870 1720 1 3 . 1 1 806 806 VAL CB C 806 36.853 36.853 34.913 1.940 25870 1721 1 3 . 1 1 806 806 VAL H H 806 6.831 6.831 7.093 -0.262 25870 1722 1 3 . 1 1 807 807 VAL N N 807 122.184 122.184 123.194 -1.010 25870 1723 1 3 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.381 -0.214 25870 1724 1 3 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.754 0.890 25870 1725 1 3 . 1 1 807 807 VAL CB C 807 32.383 32.383 30.961 1.422 25870 1726 1 3 . 1 1 807 807 VAL H H 807 9.007 9.007 8.877 0.130 25870 1727 1 3 . 1 1 808 808 THR N N 808 117.391 117.391 117.749 -0.358 25870 1728 1 3 . 1 1 808 808 THR HA H 808 4.593 4.593 4.592 0.001 25870 1729 1 3 . 1 1 808 808 THR CA C 808 60.615 60.615 59.120 1.495 25870 1730 1 3 . 1 1 808 808 THR CB C 808 70.695 70.695 71.527 -0.832 25870 1731 1 3 . 1 1 808 808 THR H H 808 7.925 7.925 7.537 0.388 25870 1732 1 3 . 1 1 809 809 PHE N N 809 122.236 122.236 118.851 3.385 25870 1733 1 3 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.501 -0.861 25870 1734 1 3 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.534 0.215 25870 1735 1 3 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.527 0.650 25870 1736 1 3 . 1 1 809 809 PHE H H 809 9.349 9.349 8.242 1.107 25870 1737 1 3 . 1 1 810 810 GLN N N 810 116.788 116.788 117.411 -0.623 25870 1738 1 3 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.213 -0.615 25870 1739 1 3 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.847 0.735 25870 1740 1 3 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.502 -0.303 25870 1741 1 3 . 1 1 810 810 GLN H H 810 8.572 8.572 7.898 0.674 25870 1742 1 3 . 1 1 811 811 ALA N N 811 121.208 121.208 121.926 -0.718 25870 1743 1 3 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.210 -0.091 25870 1744 1 3 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.773 1.138 25870 1745 1 3 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.931 0.334 25870 1746 1 3 . 1 1 811 811 ALA H H 811 7.667 7.667 7.680 -0.013 25870 1747 1 3 . 1 1 812 812 PHE N N 812 119.805 119.805 118.949 0.856 25870 1748 1 3 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.382 -0.402 25870 1749 1 3 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.090 -0.349 25870 1750 1 3 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.734 0.936 25870 1751 1 3 . 1 1 812 812 PHE H H 812 8.400 8.400 8.386 0.014 25870 1752 1 3 . 1 1 813 813 ILE N N 813 118.098 118.098 118.781 -0.683 25870 1753 1 3 . 1 1 813 813 ILE HA H 813 3.146 3.146 4.003 -0.857 25870 1754 1 3 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.669 0.630 25870 1755 1 3 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.401 -0.199 25870 1756 1 3 . 1 1 813 813 ILE H H 813 8.364 8.364 7.845 0.519 25870 1757 1 3 . 1 1 814 814 ASP N N 814 123.528 123.528 120.258 3.270 25870 1758 1 3 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.396 -0.200 25870 1759 1 3 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.536 0.144 25870 1760 1 3 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.678 -0.443 25870 1761 1 3 . 1 1 814 814 ASP H H 814 8.221 8.221 7.927 0.294 25870 1762 1 3 . 1 1 815 815 PHE N N 815 120.584 120.584 120.281 0.303 25870 1763 1 3 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.434 -0.305 25870 1764 1 3 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.574 0.510 25870 1765 1 3 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.683 0.015 25870 1766 1 3 . 1 1 815 815 PHE H H 815 7.887 7.887 7.770 0.117 25870 1767 1 3 . 1 1 816 816 MET N N 816 116.960 116.960 118.214 -1.254 25870 1768 1 3 . 1 1 816 816 MET HA H 816 3.782 3.782 4.116 -0.334 25870 1769 1 3 . 1 1 816 816 MET CA C 816 55.662 55.662 56.904 -1.242 25870 1770 1 3 . 1 1 816 816 MET CB C 816 30.033 30.033 31.691 -1.658 25870 1771 1 3 . 1 1 816 816 MET H H 816 8.372 8.372 8.096 0.276 25870 1772 1 3 . 1 1 817 817 SER N N 817 114.277 114.277 112.082 2.195 25870 1773 1 3 . 1 1 817 817 SER HA H 817 4.194 4.194 4.408 -0.214 25870 1774 1 3 . 1 1 817 817 SER CA C 817 60.521 60.521 59.758 0.763 25870 1775 1 3 . 1 1 817 817 SER CB C 817 63.185 63.185 63.452 -0.267 25870 1776 1 3 . 1 1 817 817 SER H H 817 8.074 8.074 8.332 -0.258 25870 1777 1 3 . 1 1 818 818 ARG N N 818 121.493 121.493 122.158 -0.665 25870 1778 1 3 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.097 0.027 25870 1779 1 3 . 1 1 818 818 ARG CA C 818 57.684 57.684 57.314 0.370 25870 1780 1 3 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.485 0.830 25870 1781 1 3 . 1 1 818 818 ARG H H 818 7.288 7.288 7.766 -0.478 25870 1782 1 3 . 1 1 819 819 GLU N N 819 119.737 119.737 117.682 2.055 25870 1783 1 3 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.103 -0.002 25870 1784 1 3 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.558 -1.492 25870 1785 1 3 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.230 1.261 25870 1786 1 3 . 1 1 819 819 GLU H H 819 8.045 8.045 7.570 0.475 25870 1787 1 3 . 1 1 820 820 THR N N 820 112.128 112.128 109.367 2.761 25870 1788 1 3 . 1 1 820 820 THR HA H 820 4.280 4.280 3.641 0.639 25870 1789 1 3 . 1 1 820 820 THR CA C 820 62.055 62.055 62.555 -0.500 25870 1790 1 3 . 1 1 820 820 THR CB C 820 69.828 69.828 68.669 1.159 25870 1791 1 3 . 1 1 820 820 THR H H 820 7.760 7.760 7.302 0.458 25870 1792 1 3 . 1 1 821 821 ALA N N 821 126.098 126.098 123.907 2.191 25870 1793 1 3 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.413 -0.129 25870 1794 1 3 . 1 1 821 821 ALA CA C 821 52.726 52.726 50.621 2.105 25870 1795 1 3 . 1 1 821 821 ALA CB C 821 19.304 19.304 20.574 -1.270 25870 1796 1 3 . 1 1 821 821 ALA H H 821 7.957 7.957 7.140 0.817 25870 1797 1 3 . 1 1 822 822 ASP N N 822 119.904 119.904 124.762 -4.858 25870 1798 1 3 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.773 -0.160 25870 1799 1 3 . 1 1 822 822 ASP CA C 822 54.335 54.335 55.598 -1.263 25870 1800 1 3 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.844 -0.812 25870 1801 1 3 . 1 1 822 822 ASP H H 822 8.352 8.352 8.684 -0.332 25870 1802 1 3 . 1 1 823 823 THR N N 823 114.142 114.142 113.930 0.212 25870 1803 1 3 . 1 1 823 823 THR HA H 823 4.278 4.278 4.662 -0.384 25870 1804 1 3 . 1 1 823 823 THR CA C 823 62.117 62.117 61.020 1.097 25870 1805 1 3 . 1 1 823 823 THR CB C 823 69.584 69.584 72.030 -2.446 25870 1806 1 3 . 1 1 823 823 THR H H 823 8.079 8.079 8.500 -0.421 25870 1807 1 3 . 1 1 824 824 ASP N N 824 123.261 123.261 121.287 1.974 25870 1808 1 3 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.583 0.074 25870 1809 1 3 . 1 1 824 824 ASP CA C 824 54.786 54.786 56.096 -1.310 25870 1810 1 3 . 1 1 824 824 ASP CB C 824 41.085 41.085 40.468 0.617 25870 1811 1 3 . 1 1 824 824 ASP H H 824 8.431 8.431 8.821 -0.390 25870 1812 1 3 . 1 1 825 825 THR N N 825 114.932 114.932 114.198 0.734 25870 1813 1 3 . 1 1 825 825 THR HA H 825 4.161 4.161 4.160 0.000 25870 1814 1 3 . 1 1 825 825 THR CA C 825 63.109 63.109 64.754 -1.645 25870 1815 1 3 . 1 1 825 825 THR CB C 825 69.455 69.455 68.178 1.277 25870 1816 1 3 . 1 1 825 825 THR H H 825 8.155 8.155 8.647 -0.492 25870 1817 1 3 . 1 1 826 826 ALA N N 826 124.961 124.961 124.572 0.389 25870 1818 1 3 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.050 0.110 25870 1819 1 3 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.258 0.134 25870 1820 1 3 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.226 0.384 25870 1821 1 3 . 1 1 826 826 ALA H H 826 8.379 8.379 8.222 0.157 25870 1822 1 3 . 1 1 827 827 ASP N N 827 117.765 117.765 118.257 -0.492 25870 1823 1 3 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.281 0.144 25870 1824 1 3 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.343 -1.292 25870 1825 1 3 . 1 1 827 827 ASP CB C 827 40.559 40.559 40.910 -0.351 25870 1826 1 3 . 1 1 827 827 ASP H H 827 8.250 8.250 7.842 0.408 25870 1827 1 3 . 1 1 828 828 GLN N N 828 120.523 120.523 118.329 2.194 25870 1828 1 3 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.079 0.012 25870 1829 1 3 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.356 -0.542 25870 1830 1 3 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.682 -0.133 25870 1831 1 3 . 1 1 828 828 GLN H H 828 8.076 8.076 7.711 0.365 25870 1832 1 3 . 1 1 829 829 VAL N N 829 120.970 120.970 118.924 2.046 25870 1833 1 3 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.837 -0.312 25870 1834 1 3 . 1 1 829 829 VAL CA C 829 65.194 65.194 63.876 1.318 25870 1835 1 3 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.702 -0.161 25870 1836 1 3 . 1 1 829 829 VAL H H 829 8.051 8.051 7.256 0.795 25870 1837 1 3 . 1 1 830 830 MET N N 830 119.572 119.572 118.481 1.091 25870 1838 1 3 . 1 1 830 830 MET HA H 830 4.006 4.006 2.847 1.159 25870 1839 1 3 . 1 1 830 830 MET CA C 830 57.977 57.977 57.972 0.005 25870 1840 1 3 . 1 1 830 830 MET CB C 830 31.995 31.995 31.492 0.503 25870 1841 1 3 . 1 1 830 830 MET H H 830 8.110 8.110 8.583 -0.473 25870 1842 1 3 . 1 1 831 831 ALA N N 831 121.059 121.059 122.431 -1.372 25870 1843 1 3 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.945 0.100 25870 1844 1 3 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.433 0.068 25870 1845 1 3 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.630 0.437 25870 1846 1 3 . 1 1 831 831 ALA H H 831 7.836 7.836 7.682 0.154 25870 1847 1 3 . 1 1 832 832 SER N N 832 114.256 114.256 115.798 -1.542 25870 1848 1 3 . 1 1 832 832 SER HA H 832 4.141 4.141 4.122 0.019 25870 1849 1 3 . 1 1 832 832 SER CA C 832 60.845 60.845 61.506 -0.661 25870 1850 1 3 . 1 1 832 832 SER CB C 832 62.613 62.613 62.820 -0.207 25870 1851 1 3 . 1 1 832 832 SER H H 832 7.714 7.714 7.671 0.043 25870 1852 1 3 . 1 1 833 833 PHE N N 833 121.847 121.847 120.097 1.750 25870 1853 1 3 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.163 -0.340 25870 1854 1 3 . 1 1 833 833 PHE CA C 833 58.627 58.627 58.195 0.432 25870 1855 1 3 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.638 0.489 25870 1856 1 3 . 1 1 833 833 PHE H H 833 7.740 7.740 7.686 0.054 25870 1857 1 3 . 1 1 834 834 LYS N N 834 118.759 118.759 120.390 -1.631 25870 1858 1 3 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.634 -0.045 25870 1859 1 3 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.311 1.073 25870 1860 1 3 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.796 0.347 25870 1861 1 3 . 1 1 834 834 LYS H H 834 7.843 7.843 7.706 0.137 25870 1862 1 3 . 1 1 835 835 ILE N N 835 118.537 118.537 120.188 -1.651 25870 1863 1 3 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.710 0.026 25870 1864 1 3 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.981 -1.268 25870 1865 1 3 . 1 1 835 835 ILE CB C 835 37.825 37.825 38.042 -0.217 25870 1866 1 3 . 1 1 835 835 ILE H H 835 7.315 7.315 7.221 0.094 25870 1867 1 3 . 1 1 836 836 LEU N N 836 121.201 121.201 119.543 1.658 25870 1868 1 3 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.907 0.048 25870 1869 1 3 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.557 -0.483 25870 1870 1 3 . 1 1 836 836 LEU CB C 836 42.415 42.415 41.916 0.499 25870 1871 1 3 . 1 1 836 836 LEU H H 836 7.625 7.625 8.117 -0.492 25870 1872 1 3 . 1 1 837 837 ALA N N 837 119.184 119.184 118.166 1.018 25870 1873 1 3 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.945 -0.050 25870 1874 1 3 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.911 -0.610 25870 1875 1 3 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.251 0.087 25870 1876 1 3 . 1 1 837 837 ALA H H 837 8.099 8.099 7.633 0.466 25870 1877 1 3 . 1 1 838 838 GLY N N 838 107.030 107.030 106.455 0.575 25870 1878 1 3 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.869 0.049 25870 1879 1 3 . 1 1 838 838 GLY H H 838 7.676 7.676 8.436 -0.760 25870 1880 1 3 . 1 1 839 839 ASP N N 839 122.291 122.291 124.598 -2.307 25870 1881 1 3 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.756 -0.279 25870 1882 1 3 . 1 1 839 839 ASP CA C 839 54.511 54.511 54.419 0.092 25870 1883 1 3 . 1 1 839 839 ASP CB C 839 40.181 40.181 42.311 -2.130 25870 1884 1 3 . 1 1 839 839 ASP H H 839 8.704 8.704 8.205 0.499 25870 1885 1 3 . 1 1 840 840 LYS N N 840 117.582 117.582 121.638 -4.056 25870 1886 1 3 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.461 -0.160 25870 1887 1 3 . 1 1 840 840 LYS CA C 840 55.780 55.780 56.192 -0.412 25870 1888 1 3 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.097 0.613 25870 1889 1 3 . 1 1 840 840 LYS H H 840 7.583 7.583 7.376 0.207 25870 1890 1 3 . 1 1 841 841 ASN N N 841 116.678 116.678 117.268 -0.590 25870 1891 1 3 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.603 0.008 25870 1892 1 3 . 1 1 841 841 ASN CA C 841 53.466 53.466 53.866 -0.400 25870 1893 1 3 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.027 0.128 25870 1894 1 3 . 1 1 841 841 ASN H H 841 8.693 8.693 8.901 -0.208 25870 1895 1 3 . 1 1 842 842 TYR N N 842 112.236 112.236 114.084 -1.848 25870 1896 1 3 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.935 0.051 25870 1897 1 3 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.226 -1.308 25870 1898 1 3 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.406 0.189 25870 1899 1 3 . 1 1 842 842 TYR H H 842 6.637 6.637 7.353 -0.716 25870 1900 1 3 . 1 1 843 843 ILE N N 843 115.475 115.475 120.636 -5.161 25870 1901 1 3 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.527 0.265 25870 1902 1 3 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.356 0.601 25870 1903 1 3 . 1 1 843 843 ILE CB C 843 43.009 43.009 43.133 -0.124 25870 1904 1 3 . 1 1 843 843 ILE H H 843 8.630 8.630 9.252 -0.622 25870 1905 1 3 . 1 1 844 844 THR N N 844 117.169 117.169 118.589 -1.420 25870 1906 1 3 . 1 1 844 844 THR HA H 844 5.370 5.370 5.221 0.148 25870 1907 1 3 . 1 1 844 844 THR CA C 844 60.177 60.177 60.440 -0.263 25870 1908 1 3 . 1 1 844 844 THR CB C 844 71.088 71.088 70.468 0.620 25870 1909 1 3 . 1 1 844 844 THR H H 844 9.330 9.330 9.293 0.037 25870 1910 1 3 . 1 1 845 845 MET N N 845 119.860 119.860 120.781 -0.921 25870 1911 1 3 . 1 1 845 845 MET HA H 845 3.824 3.824 3.995 -0.171 25870 1912 1 3 . 1 1 845 845 MET CA C 845 60.321 60.321 60.490 -0.169 25870 1913 1 3 . 1 1 845 845 MET CB C 845 33.030 33.030 32.153 0.877 25870 1914 1 3 . 1 1 845 845 MET H H 845 8.556 8.556 8.625 -0.069 25870 1915 1 3 . 1 1 846 846 ASP N N 846 116.363 116.363 118.659 -2.296 25870 1916 1 3 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.458 -0.178 25870 1917 1 3 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.653 0.751 25870 1918 1 3 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.701 -0.117 25870 1919 1 3 . 1 1 846 846 ASP H H 846 8.377 8.377 8.511 -0.134 25870 1920 1 3 . 1 1 847 847 GLU N N 847 120.577 120.577 118.886 1.691 25870 1921 1 3 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.115 -0.261 25870 1922 1 3 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.949 0.709 25870 1923 1 3 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.053 -0.393 25870 1924 1 3 . 1 1 847 847 GLU H H 847 7.855 7.855 7.602 0.253 25870 1925 1 3 . 1 1 848 848 LEU N N 848 118.714 118.714 119.515 -0.801 25870 1926 1 3 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.058 -0.236 25870 1927 1 3 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.660 1.065 25870 1928 1 3 . 1 1 848 848 LEU CB C 848 42.457 42.457 41.855 0.602 25870 1929 1 3 . 1 1 848 848 LEU H H 848 7.849 7.849 7.435 0.414 25870 1930 1 3 . 1 1 849 849 ARG N N 849 113.972 113.972 115.683 -1.711 25870 1931 1 3 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.443 -0.519 25870 1932 1 3 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.579 1.016 25870 1933 1 3 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.653 0.447 25870 1934 1 3 . 1 1 849 849 ARG H H 849 8.053 8.053 7.830 0.223 25870 1935 1 3 . 1 1 850 850 ARG N N 850 118.178 118.178 119.163 -0.985 25870 1936 1 3 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.348 -0.155 25870 1937 1 3 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.949 0.296 25870 1938 1 3 . 1 1 850 850 ARG CB C 850 31.120 31.120 30.724 0.396 25870 1939 1 3 . 1 1 850 850 ARG H H 850 7.743 7.743 7.705 0.038 25870 1940 1 3 . 1 1 851 851 GLU N N 851 115.518 115.518 117.909 -2.391 25870 1941 1 3 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.318 0.032 25870 1942 1 3 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.921 -1.035 25870 1943 1 3 . 1 1 851 851 GLU CB C 851 31.590 31.590 30.534 1.056 25870 1944 1 3 . 1 1 851 851 GLU H H 851 7.596 7.596 7.781 -0.185 25870 1945 1 3 . 1 1 852 852 LEU N N 852 119.148 119.148 122.147 -2.999 25870 1946 1 3 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.232 -0.338 25870 1947 1 3 . 1 1 852 852 LEU CA C 852 52.174 52.174 50.965 1.209 25870 1948 1 3 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.165 1.304 25870 1949 1 3 . 1 1 852 852 LEU H H 852 7.890 7.890 8.002 -0.112 25870 1950 1 3 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.449 -0.102 25870 1951 1 3 . 1 1 853 853 PRO CA C 853 65.119 65.119 64.091 1.028 25870 1952 1 3 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.823 0.808 25870 1953 1 3 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.480 -0.210 25870 1954 1 3 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.940 4.396 25870 1955 1 3 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.092 -0.836 25870 1956 1 3 . 1 1 855 855 ASP N N 855 114.865 114.865 119.289 -4.424 25870 1957 1 3 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.425 -0.076 25870 1958 1 3 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.316 -0.403 25870 1959 1 3 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.897 -1.653 25870 1960 1 3 . 1 1 855 855 ASP H H 855 8.801 8.801 8.277 0.524 25870 1961 1 3 . 1 1 856 856 GLN N N 856 121.465 121.465 118.722 2.743 25870 1962 1 3 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.295 -0.096 25870 1963 1 3 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.355 -1.038 25870 1964 1 3 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.320 0.927 25870 1965 1 3 . 1 1 856 856 GLN H H 856 7.472 7.472 8.505 -1.033 25870 1966 1 3 . 1 1 857 857 ALA N N 857 122.805 122.805 122.324 0.481 25870 1967 1 3 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.928 -0.129 25870 1968 1 3 . 1 1 857 857 ALA CA C 857 56.303 56.303 56.061 0.242 25870 1969 1 3 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.278 -0.334 25870 1970 1 3 . 1 1 857 857 ALA H H 857 8.882 8.882 8.273 0.609 25870 1971 1 3 . 1 1 858 858 GLU N N 858 114.094 114.094 118.850 -4.756 25870 1972 1 3 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.046 -0.022 25870 1973 1 3 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.621 0.061 25870 1974 1 3 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.097 -0.458 25870 1975 1 3 . 1 1 858 858 GLU H H 858 8.155 8.155 7.850 0.305 25870 1976 1 3 . 1 1 859 859 TYR N N 859 120.665 120.665 122.585 -1.920 25870 1977 1 3 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.200 -0.116 25870 1978 1 3 . 1 1 859 859 TYR CA C 859 61.006 61.006 61.088 -0.082 25870 1979 1 3 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.143 0.544 25870 1980 1 3 . 1 1 859 859 TYR H H 859 7.708 7.708 8.699 -0.991 25870 1981 1 3 . 1 1 860 860 CYS N N 860 115.812 115.812 117.191 -1.379 25870 1982 1 3 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.361 0.797 25870 1983 1 3 . 1 1 860 860 CYS CA C 860 64.254 64.254 64.326 -0.073 25870 1984 1 3 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.965 0.339 25870 1985 1 3 . 1 1 860 860 CYS H H 860 8.113 8.113 7.861 0.252 25870 1986 1 3 . 1 1 861 861 ILE N N 861 120.078 120.078 119.558 0.520 25870 1987 1 3 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.582 -0.243 25870 1988 1 3 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.317 0.326 25870 1989 1 3 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.888 0.826 25870 1990 1 3 . 1 1 861 861 ILE H H 861 8.453 8.453 7.760 0.693 25870 1991 1 3 . 1 1 862 862 ALA N N 862 116.691 116.691 120.911 -4.220 25870 1992 1 3 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.027 0.182 25870 1993 1 3 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.675 -1.453 25870 1994 1 3 . 1 1 862 862 ALA CB C 862 19.002 19.002 19.286 -0.284 25870 1995 1 3 . 1 1 862 862 ALA H H 862 7.307 7.307 8.145 -0.838 25870 1996 1 3 . 1 1 863 863 ARG N N 863 117.226 117.226 116.263 0.963 25870 1997 1 3 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.396 -0.122 25870 1998 1 3 . 1 1 863 863 ARG CA C 863 56.051 56.051 57.212 -1.161 25870 1999 1 3 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.751 0.638 25870 2000 1 3 . 1 1 863 863 ARG H H 863 7.358 7.358 7.577 -0.219 25870 2001 1 3 . 1 1 864 864 MET N N 864 117.583 117.583 118.609 -1.026 25870 2002 1 3 . 1 1 864 864 MET HA H 864 4.561 4.561 4.451 0.110 25870 2003 1 3 . 1 1 864 864 MET CA C 864 54.927 54.927 56.164 -1.237 25870 2004 1 3 . 1 1 864 864 MET CB C 864 37.418 37.418 34.097 3.321 25870 2005 1 3 . 1 1 864 864 MET H H 864 7.153 7.153 7.578 -0.425 25870 2006 1 3 . 1 1 865 865 ALA N N 865 124.643 124.643 126.169 -1.526 25870 2007 1 3 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.567 -0.701 25870 2008 1 3 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.838 -0.644 25870 2009 1 3 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.247 0.400 25870 2010 1 3 . 1 1 865 865 ALA H H 865 8.557 8.557 8.143 0.414 25870 2011 1 3 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.481 0.015 25870 2012 1 3 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.971 -0.247 25870 2013 1 3 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.444 1.536 25870 2014 1 3 . 1 1 867 867 TYR N N 867 122.461 122.461 126.020 -3.559 25870 2015 1 3 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.499 0.229 25870 2016 1 3 . 1 1 867 867 TYR CA C 867 57.096 57.096 55.904 1.192 25870 2017 1 3 . 1 1 867 867 TYR CB C 867 39.175 39.175 37.392 1.784 25870 2018 1 3 . 1 1 867 867 TYR H H 867 8.128 8.128 8.144 -0.016 25870 2019 1 3 . 1 1 868 868 THR HA H 868 4.351 4.351 4.689 -0.338 25870 2020 1 3 . 1 1 868 868 THR CA C 868 60.271 60.271 60.037 0.234 25870 2021 1 3 . 1 1 868 868 THR CB C 868 68.737 68.737 71.691 -2.954 25870 2022 1 3 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.254 -0.340 25870 2023 1 3 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.426 -0.097 25870 2024 1 3 . 1 1 870 870 PRO CA C 870 64.697 64.697 63.989 0.708 25870 2025 1 3 . 1 1 870 870 PRO CB C 870 31.579 31.579 31.901 -0.322 25870 2026 1 3 . 1 1 871 871 ASP N N 871 116.207 116.207 116.051 0.156 25870 2027 1 3 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.608 -0.004 25870 2028 1 3 . 1 1 871 871 ASP CA C 871 52.749 52.749 54.252 -1.503 25870 2029 1 3 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.662 -1.733 25870 2030 1 3 . 1 1 871 871 ASP H H 871 9.267 9.267 8.487 0.780 25870 2031 1 3 . 1 1 872 872 SER N N 872 112.349 112.349 114.582 -2.233 25870 2032 1 3 . 1 1 872 872 SER HA H 872 3.497 3.497 4.642 -1.145 25870 2033 1 3 . 1 1 872 872 SER CA C 872 59.065 59.065 57.391 1.675 25870 2034 1 3 . 1 1 872 872 SER CB C 872 63.125 63.125 66.494 -3.369 25870 2035 1 3 . 1 1 872 872 SER H H 872 7.487 7.487 7.391 0.096 25870 2036 1 3 . 1 1 873 873 VAL N N 873 113.567 113.567 114.115 -0.548 25870 2037 1 3 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.673 0.056 25870 2038 1 3 . 1 1 873 873 VAL CA C 873 58.044 58.044 57.714 0.330 25870 2039 1 3 . 1 1 873 873 VAL CB C 873 32.911 32.911 32.920 -0.009 25870 2040 1 3 . 1 1 873 873 VAL H H 873 6.411 6.411 8.212 -1.801 25870 2041 1 3 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.432 -0.136 25870 2042 1 3 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.944 0.391 25870 2043 1 3 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.809 -0.294 25870 2044 1 3 . 1 1 875 875 GLY N N 875 112.118 112.118 107.140 4.978 25870 2045 1 3 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.458 1.099 25870 2046 1 3 . 1 1 875 875 GLY H H 875 8.800 8.800 8.102 0.698 25870 2047 1 3 . 1 1 876 876 ALA N N 876 120.262 120.262 123.945 -3.683 25870 2048 1 3 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.627 -1.527 25870 2049 1 3 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.215 2.858 25870 2050 1 3 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.656 -1.148 25870 2051 1 3 . 1 1 876 876 ALA H H 876 7.762 7.762 7.595 0.167 25870 2052 1 3 . 1 1 877 877 LEU N N 877 125.695 125.695 121.019 4.676 25870 2053 1 3 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.126 -0.350 25870 2054 1 3 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.712 0.557 25870 2055 1 3 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.012 -2.213 25870 2056 1 3 . 1 1 877 877 LEU H H 877 9.595 9.595 9.300 0.295 25870 2057 1 3 . 1 1 878 878 ASP N N 878 119.823 119.823 121.816 -1.993 25870 2058 1 3 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.558 0.321 25870 2059 1 3 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.667 -0.670 25870 2060 1 3 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.441 -0.661 25870 2061 1 3 . 1 1 878 878 ASP H H 878 9.031 9.031 7.888 1.143 25870 2062 1 3 . 1 1 879 879 TYR N N 879 126.556 126.556 123.226 3.330 25870 2063 1 3 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.284 0.307 25870 2064 1 3 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.833 -0.437 25870 2065 1 3 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.784 -0.463 25870 2066 1 3 . 1 1 879 879 TYR H H 879 7.456 7.456 7.990 -0.534 25870 2067 1 3 . 1 1 880 880 MET N N 880 119.958 119.958 114.338 5.620 25870 2068 1 3 . 1 1 880 880 MET HA H 880 4.605 4.605 4.811 -0.206 25870 2069 1 3 . 1 1 880 880 MET CA C 880 56.044 56.044 56.822 -0.778 25870 2070 1 3 . 1 1 880 880 MET CB C 880 30.101 30.101 33.747 -3.646 25870 2071 1 3 . 1 1 880 880 MET H H 880 7.627 7.627 7.710 -0.083 25870 2072 1 3 . 1 1 881 881 SER N N 881 114.328 114.328 115.810 -1.482 25870 2073 1 3 . 1 1 881 881 SER HA H 881 4.471 4.471 4.593 -0.122 25870 2074 1 3 . 1 1 881 881 SER CA C 881 58.917 58.917 57.651 1.266 25870 2075 1 3 . 1 1 881 881 SER CB C 881 64.447 64.447 63.577 0.870 25870 2076 1 3 . 1 1 881 881 SER H H 881 7.726 7.726 8.230 -0.504 25870 2077 1 3 . 1 1 882 882 PHE N N 882 122.735 122.735 120.683 2.052 25870 2078 1 3 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.358 0.364 25870 2079 1 3 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.877 1.354 25870 2080 1 3 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.278 1.007 25870 2081 1 3 . 1 1 882 882 PHE H H 882 7.385 7.385 7.626 -0.241 25870 2082 1 3 . 1 1 883 883 SER N N 883 120.156 120.156 117.463 2.693 25870 2083 1 3 . 1 1 883 883 SER HA H 883 4.299 4.299 4.385 -0.086 25870 2084 1 3 . 1 1 883 883 SER CA C 883 57.280 57.280 57.041 0.239 25870 2085 1 3 . 1 1 883 883 SER CB C 883 64.601 64.601 63.749 0.852 25870 2086 1 3 . 1 1 883 883 SER H H 883 7.472 7.472 8.518 -1.046 25870 2087 1 3 . 1 1 884 884 THR N N 884 110.683 110.683 121.185 -10.502 25870 2088 1 3 . 1 1 884 884 THR HA H 884 3.966 3.966 4.081 -0.115 25870 2089 1 3 . 1 1 884 884 THR CA C 884 63.465 63.465 63.540 -0.075 25870 2090 1 3 . 1 1 884 884 THR CB C 884 68.899 68.899 68.344 0.555 25870 2091 1 3 . 1 1 884 884 THR H H 884 7.996 7.996 8.325 -0.329 25870 2092 1 3 . 1 1 885 885 ALA N N 885 125.456 125.456 122.902 2.554 25870 2093 1 3 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.354 -0.118 25870 2094 1 3 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.680 0.350 25870 2095 1 3 . 1 1 885 885 ALA CB C 885 19.225 19.225 19.048 0.177 25870 2096 1 3 . 1 1 885 885 ALA H H 885 7.905 7.905 7.343 0.562 25870 2097 1 3 . 1 1 886 886 LEU N N 886 120.638 120.638 117.276 3.362 25870 2098 1 3 . 1 1 886 886 LEU HA H 886 4.002 4.002 3.835 0.167 25870 2099 1 3 . 1 1 886 886 LEU CA C 886 55.462 55.462 55.039 0.423 25870 2100 1 3 . 1 1 886 886 LEU CB C 886 42.265 42.265 40.905 1.360 25870 2101 1 3 . 1 1 886 886 LEU H H 886 8.079 8.079 7.127 0.953 25870 2102 1 3 . 1 1 887 887 TYR N N 887 121.526 121.526 118.951 2.575 25870 2103 1 3 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.303 0.053 25870 2104 1 3 . 1 1 887 887 TYR CA C 887 58.750 58.750 58.820 -0.070 25870 2105 1 3 . 1 1 887 887 TYR CB C 887 38.569 38.569 38.227 0.342 25870 2106 1 3 . 1 1 887 887 TYR H H 887 8.267 8.267 8.138 0.129 25870 2107 1 3 . 1 1 888 888 GLY N N 888 112.379 112.379 109.382 2.997 25870 2108 1 3 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.452 0.638 25870 2109 1 3 . 1 1 888 888 GLY H H 888 8.087 8.087 8.132 -0.045 25870 2110 1 3 . 1 1 889 889 GLU N N 889 120.255 120.255 122.449 -2.194 25870 2111 1 3 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.851 -0.595 25870 2112 1 3 . 1 1 889 889 GLU CA C 889 56.445 56.445 56.331 0.114 25870 2113 1 3 . 1 1 889 889 GLU CB C 889 30.393 30.393 30.872 -0.479 25870 2114 1 3 . 1 1 889 889 GLU H H 889 7.994 7.994 8.588 -0.594 25870 2115 1 3 . 1 1 890 890 SER N N 890 116.375 116.375 118.710 -2.335 25870 2116 1 3 . 1 1 890 890 SER HA H 890 4.415 4.415 4.651 -0.236 25870 2117 1 3 . 1 1 890 890 SER CA C 890 58.204 58.204 57.779 0.425 25870 2118 1 3 . 1 1 890 890 SER CB C 890 63.913 63.913 64.686 -0.773 25870 2119 1 3 . 1 1 890 890 SER H H 890 8.329 8.329 8.549 -0.220 25870 2120 1 3 . 1 1 891 891 ASP N N 891 123.017 123.017 122.699 0.318 25870 2121 1 3 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.894 -0.284 25870 2122 1 3 . 1 1 891 891 ASP CA C 891 54.371 54.371 54.117 0.254 25870 2123 1 3 . 1 1 891 891 ASP CB C 891 41.013 41.013 41.306 -0.293 25870 2124 1 3 . 1 1 891 891 ASP H H 891 8.394 8.394 8.461 -0.067 25870 2125 1 4 . 1 1 742 742 SER HA H 742 4.525 4.525 4.300 0.225 25870 2126 1 4 . 1 1 742 742 SER CA C 742 58.148 58.148 59.295 -1.147 25870 2127 1 4 . 1 1 742 742 SER CB C 742 63.791 63.791 63.509 0.282 25870 2128 1 4 . 1 1 743 743 ILE N N 743 122.172 122.172 121.401 0.771 25870 2129 1 4 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.019 0.343 25870 2130 1 4 . 1 1 743 743 ILE CA C 743 60.421 60.421 61.814 -1.393 25870 2131 1 4 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.946 0.220 25870 2132 1 4 . 1 1 743 743 ILE H H 743 8.132 8.132 7.610 0.522 25870 2133 1 4 . 1 1 744 744 SER N N 744 123.144 123.144 120.998 2.146 25870 2134 1 4 . 1 1 744 744 SER HA H 744 4.449 4.449 4.593 -0.144 25870 2135 1 4 . 1 1 744 744 SER CA C 744 57.463 57.463 56.857 0.606 25870 2136 1 4 . 1 1 744 744 SER CB C 744 65.219 65.219 64.809 0.410 25870 2137 1 4 . 1 1 744 744 SER H H 744 8.848 8.848 8.487 0.361 25870 2138 1 4 . 1 1 745 745 GLN N N 745 121.619 121.619 123.398 -1.779 25870 2139 1 4 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.108 -0.156 25870 2140 1 4 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.176 -0.408 25870 2141 1 4 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.799 -0.287 25870 2142 1 4 . 1 1 745 745 GLN H H 745 9.042 9.042 8.988 0.054 25870 2143 1 4 . 1 1 746 746 GLU N N 746 118.648 118.648 119.513 -0.865 25870 2144 1 4 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.117 -0.113 25870 2145 1 4 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.974 1.249 25870 2146 1 4 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.448 -0.594 25870 2147 1 4 . 1 1 746 746 GLU H H 746 8.721 8.721 7.714 1.007 25870 2148 1 4 . 1 1 747 747 GLN N N 747 120.463 120.463 120.209 0.254 25870 2149 1 4 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.415 -0.649 25870 2150 1 4 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.846 -0.540 25870 2151 1 4 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.224 0.724 25870 2152 1 4 . 1 1 747 747 GLN H H 747 7.838 7.838 8.456 -0.618 25870 2153 1 4 . 1 1 748 748 MET N N 748 119.252 119.252 115.680 3.572 25870 2154 1 4 . 1 1 748 748 MET HA H 748 4.200 4.200 4.433 -0.233 25870 2155 1 4 . 1 1 748 748 MET CA C 748 58.096 58.096 59.333 -1.237 25870 2156 1 4 . 1 1 748 748 MET CB C 748 30.900 30.900 32.401 -1.501 25870 2157 1 4 . 1 1 748 748 MET H H 748 8.473 8.473 8.221 0.252 25870 2158 1 4 . 1 1 749 749 ASN N N 749 117.740 117.740 118.671 -0.931 25870 2159 1 4 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.473 0.001 25870 2160 1 4 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.822 -0.027 25870 2161 1 4 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.471 -1.058 25870 2162 1 4 . 1 1 749 749 ASN H H 749 8.334 8.334 7.606 0.728 25870 2163 1 4 . 1 1 750 750 GLU N N 750 122.848 122.848 118.982 3.866 25870 2164 1 4 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.126 0.078 25870 2165 1 4 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.420 0.921 25870 2166 1 4 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.682 -0.498 25870 2167 1 4 . 1 1 750 750 GLU H H 750 7.838 7.838 8.370 -0.532 25870 2168 1 4 . 1 1 751 751 PHE N N 751 120.177 120.177 122.834 -2.657 25870 2169 1 4 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.371 0.650 25870 2170 1 4 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.568 -1.215 25870 2171 1 4 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.450 -1.653 25870 2172 1 4 . 1 1 751 751 PHE H H 751 8.785 8.785 8.618 0.167 25870 2173 1 4 . 1 1 752 752 ARG N N 752 120.528 120.528 120.172 0.356 25870 2174 1 4 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.958 0.202 25870 2175 1 4 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.318 1.386 25870 2176 1 4 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.644 1.324 25870 2177 1 4 . 1 1 752 752 ARG H H 752 9.016 9.016 8.093 0.923 25870 2178 1 4 . 1 1 753 753 ALA N N 753 121.112 121.112 122.401 -1.289 25870 2179 1 4 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.443 -0.198 25870 2180 1 4 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.450 0.881 25870 2181 1 4 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.828 -0.005 25870 2182 1 4 . 1 1 753 753 ALA H H 753 8.100 8.100 7.783 0.317 25870 2183 1 4 . 1 1 754 754 SER N N 754 115.589 115.589 115.042 0.547 25870 2184 1 4 . 1 1 754 754 SER HA H 754 4.452 4.452 4.191 0.261 25870 2185 1 4 . 1 1 754 754 SER CA C 754 62.675 62.675 59.702 2.973 25870 2186 1 4 . 1 1 754 754 SER CB C 754 63.359 63.359 62.602 0.757 25870 2187 1 4 . 1 1 754 754 SER H H 754 8.391 8.391 7.786 0.605 25870 2188 1 4 . 1 1 755 755 PHE N N 755 121.886 121.886 118.468 3.418 25870 2189 1 4 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.948 -0.306 25870 2190 1 4 . 1 1 755 755 PHE CA C 755 61.964 61.964 58.612 3.352 25870 2191 1 4 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.554 1.268 25870 2192 1 4 . 1 1 755 755 PHE H H 755 8.675 8.675 7.633 1.042 25870 2193 1 4 . 1 1 756 756 ASN N N 756 113.618 113.618 113.516 0.102 25870 2194 1 4 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.385 0.042 25870 2195 1 4 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.476 3.135 25870 2196 1 4 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.910 -1.072 25870 2197 1 4 . 1 1 756 756 ASN H H 756 8.593 8.593 7.724 0.869 25870 2198 1 4 . 1 1 757 757 HIS N N 757 119.679 119.679 121.309 -1.630 25870 2199 1 4 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.333 -0.254 25870 2200 1 4 . 1 1 757 757 HIS CA C 757 59.344 59.344 59.123 0.221 25870 2201 1 4 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.694 -0.805 25870 2202 1 4 . 1 1 757 757 HIS H H 757 8.139 8.139 7.688 0.451 25870 2203 1 4 . 1 1 758 758 PHE N N 758 113.051 113.051 116.714 -3.663 25870 2204 1 4 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.270 -0.209 25870 2205 1 4 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.255 2.442 25870 2206 1 4 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.518 -1.783 25870 2207 1 4 . 1 1 758 758 PHE H H 758 7.585 7.585 7.407 0.178 25870 2208 1 4 . 1 1 759 759 ASP N N 759 120.916 120.916 121.149 -0.233 25870 2209 1 4 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.358 0.151 25870 2210 1 4 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.761 -2.590 25870 2211 1 4 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.446 -2.437 25870 2212 1 4 . 1 1 759 759 ASP H H 759 7.423 7.423 7.800 -0.377 25870 2213 1 4 . 1 1 760 760 ARG N N 760 124.819 124.819 126.265 -1.446 25870 2214 1 4 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.001 -0.233 25870 2215 1 4 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.845 -0.570 25870 2216 1 4 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.579 -0.330 25870 2217 1 4 . 1 1 760 760 ARG H H 760 7.781 7.781 8.297 -0.516 25870 2218 1 4 . 1 1 761 761 ASP N N 761 113.673 113.673 113.701 -0.028 25870 2219 1 4 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.803 -0.320 25870 2220 1 4 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.101 -1.124 25870 2221 1 4 . 1 1 761 761 ASP CB C 761 39.522 39.522 41.131 -1.609 25870 2222 1 4 . 1 1 761 761 ASP H H 761 7.821 7.821 7.944 -0.123 25870 2223 1 4 . 1 1 762 762 HIS N N 762 114.966 114.966 116.521 -1.555 25870 2224 1 4 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.210 -0.049 25870 2225 1 4 . 1 1 762 762 HIS CA C 762 56.618 56.618 57.254 -0.636 25870 2226 1 4 . 1 1 762 762 HIS CB C 762 26.380 26.380 27.636 -1.256 25870 2227 1 4 . 1 1 762 762 HIS H H 762 7.744 7.744 7.716 0.028 25870 2228 1 4 . 1 1 763 763 SER N N 763 115.077 115.077 114.171 0.906 25870 2229 1 4 . 1 1 763 763 SER HA H 763 4.336 4.336 4.369 -0.033 25870 2230 1 4 . 1 1 763 763 SER CA C 763 59.860 59.860 59.875 -0.015 25870 2231 1 4 . 1 1 763 763 SER CB C 763 65.192 65.192 63.985 1.207 25870 2232 1 4 . 1 1 763 763 SER H H 763 8.726 8.726 8.784 -0.058 25870 2233 1 4 . 1 1 764 764 GLY N N 764 116.915 116.915 110.627 6.288 25870 2234 1 4 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.650 -0.201 25870 2235 1 4 . 1 1 764 764 GLY H H 764 11.017 11.017 8.931 2.086 25870 2236 1 4 . 1 1 765 765 THR N N 765 107.334 107.334 110.598 -3.264 25870 2237 1 4 . 1 1 765 765 THR HA H 765 4.829 4.829 5.219 -0.390 25870 2238 1 4 . 1 1 765 765 THR CA C 765 58.759 58.759 60.792 -2.033 25870 2239 1 4 . 1 1 765 765 THR CB C 765 73.383 73.383 72.245 1.138 25870 2240 1 4 . 1 1 765 765 THR H H 765 7.693 7.693 7.920 -0.227 25870 2241 1 4 . 1 1 766 766 LEU N N 766 124.664 124.664 124.934 -0.270 25870 2242 1 4 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.621 0.279 25870 2243 1 4 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.904 -1.565 25870 2244 1 4 . 1 1 766 766 LEU CB C 766 42.339 42.339 43.207 -0.868 25870 2245 1 4 . 1 1 766 766 LEU H H 766 9.209 9.209 8.677 0.532 25870 2246 1 4 . 1 1 767 767 GLY N N 767 112.024 112.024 111.833 0.191 25870 2247 1 4 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.810 0.313 25870 2248 1 4 . 1 1 767 767 GLY H H 767 8.910 8.910 8.807 0.103 25870 2249 1 4 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.531 -0.213 25870 2250 1 4 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.217 0.910 25870 2251 1 4 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.072 -0.043 25870 2252 1 4 . 1 1 769 769 GLU N N 769 115.246 115.246 117.112 -1.866 25870 2253 1 4 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.082 -0.111 25870 2254 1 4 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.662 0.959 25870 2255 1 4 . 1 1 769 769 GLU CB C 769 28.628 28.628 28.522 0.106 25870 2256 1 4 . 1 1 769 769 GLU H H 769 8.622 8.622 8.953 -0.331 25870 2257 1 4 . 1 1 770 770 GLU N N 770 121.127 121.127 117.861 3.266 25870 2258 1 4 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.229 0.043 25870 2259 1 4 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.346 0.151 25870 2260 1 4 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.968 1.404 25870 2261 1 4 . 1 1 770 770 GLU H H 770 7.493 7.493 8.063 -0.570 25870 2262 1 4 . 1 1 771 771 PHE N N 771 117.688 117.688 122.098 -4.410 25870 2263 1 4 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.280 0.075 25870 2264 1 4 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.625 -2.000 25870 2265 1 4 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.490 -0.680 25870 2266 1 4 . 1 1 771 771 PHE H H 771 9.110 9.110 8.935 0.175 25870 2267 1 4 . 1 1 772 772 LYS N N 772 119.789 119.789 118.434 1.355 25870 2268 1 4 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.702 -0.389 25870 2269 1 4 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.377 2.295 25870 2270 1 4 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.867 1.112 25870 2271 1 4 . 1 1 772 772 LYS H H 772 8.594 8.594 8.034 0.560 25870 2272 1 4 . 1 1 773 773 ALA N N 773 118.461 118.461 120.465 -2.004 25870 2273 1 4 . 1 1 773 773 ALA HA H 773 3.881 3.881 3.988 -0.107 25870 2274 1 4 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.783 1.230 25870 2275 1 4 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.859 -1.230 25870 2276 1 4 . 1 1 773 773 ALA H H 773 7.231 7.231 7.508 -0.277 25870 2277 1 4 . 1 1 774 774 CYS N N 774 120.913 120.913 119.224 1.689 25870 2278 1 4 . 1 1 774 774 CYS HA H 774 2.435 2.435 3.298 -0.863 25870 2279 1 4 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.516 -0.342 25870 2280 1 4 . 1 1 774 774 CYS CB C 774 26.215 26.215 26.339 -0.124 25870 2281 1 4 . 1 1 774 774 CYS H H 774 7.498 7.498 7.605 -0.107 25870 2282 1 4 . 1 1 775 775 LEU N N 775 119.201 119.201 118.365 0.836 25870 2283 1 4 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.616 0.149 25870 2284 1 4 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.133 1.799 25870 2285 1 4 . 1 1 775 775 LEU CB C 775 40.950 40.950 40.943 0.007 25870 2286 1 4 . 1 1 775 775 LEU H H 775 8.372 8.372 7.482 0.890 25870 2287 1 4 . 1 1 776 776 ILE N N 776 121.051 121.051 119.380 1.671 25870 2288 1 4 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.613 1.477 25870 2289 1 4 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.292 0.952 25870 2290 1 4 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.092 0.899 25870 2291 1 4 . 1 1 776 776 ILE H H 776 8.358 8.358 6.711 1.647 25870 2292 1 4 . 1 1 777 777 SER N N 777 119.109 119.109 113.928 5.181 25870 2293 1 4 . 1 1 777 777 SER HA H 777 4.291 4.291 4.218 0.073 25870 2294 1 4 . 1 1 777 777 SER CA C 777 61.725 61.725 60.431 1.294 25870 2295 1 4 . 1 1 777 777 SER CB C 777 62.995 62.995 63.160 -0.166 25870 2296 1 4 . 1 1 777 777 SER H H 777 7.822 7.822 7.353 0.469 25870 2297 1 4 . 1 1 778 778 LEU N N 778 121.208 121.208 117.247 3.961 25870 2298 1 4 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.430 0.076 25870 2299 1 4 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.973 1.026 25870 2300 1 4 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.542 0.128 25870 2301 1 4 . 1 1 778 778 LEU H H 778 7.671 7.671 7.174 0.497 25870 2302 1 4 . 1 1 779 779 GLY N N 779 106.232 106.232 106.898 -0.666 25870 2303 1 4 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.034 0.253 25870 2304 1 4 . 1 1 779 779 GLY H H 779 7.897 7.897 7.324 0.573 25870 2305 1 4 . 1 1 780 780 TYR N N 780 120.772 120.772 119.239 1.533 25870 2306 1 4 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.661 -0.519 25870 2307 1 4 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.112 4.119 25870 2308 1 4 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.599 -0.258 25870 2309 1 4 . 1 1 780 780 TYR H H 780 8.072 8.072 7.489 0.583 25870 2310 1 4 . 1 1 781 781 ASP N N 781 124.304 124.304 118.040 6.264 25870 2311 1 4 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.638 0.027 25870 2312 1 4 . 1 1 781 781 ASP CA C 781 53.148 53.148 54.183 -1.035 25870 2313 1 4 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.581 -0.777 25870 2314 1 4 . 1 1 781 781 ASP H H 781 8.862 8.862 9.059 -0.197 25870 2315 1 4 . 1 1 782 782 ILE N N 782 122.271 122.271 113.159 9.112 25870 2316 1 4 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.326 0.015 25870 2317 1 4 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.945 -0.953 25870 2318 1 4 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.531 -2.624 25870 2319 1 4 . 1 1 782 782 ILE H H 782 7.344 7.344 6.944 0.400 25870 2320 1 4 . 1 1 783 783 GLY N N 783 112.322 112.322 106.757 5.565 25870 2321 1 4 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.275 0.248 25870 2322 1 4 . 1 1 783 783 GLY H H 783 8.122 8.122 8.101 0.021 25870 2323 1 4 . 1 1 784 784 ASN N N 784 118.727 118.727 116.721 2.006 25870 2324 1 4 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.290 0.592 25870 2325 1 4 . 1 1 784 784 ASN CA C 784 52.098 52.098 54.660 -2.562 25870 2326 1 4 . 1 1 784 784 ASN CB C 784 37.424 37.424 37.856 -0.432 25870 2327 1 4 . 1 1 784 784 ASN H H 784 8.452 8.452 8.997 -0.545 25870 2328 1 4 . 1 1 785 785 ASP N N 785 119.826 119.826 118.154 1.672 25870 2329 1 4 . 1 1 785 785 ASP HA H 785 4.778 4.778 5.098 -0.320 25870 2330 1 4 . 1 1 785 785 ASP CA C 785 52.164 52.164 50.538 1.626 25870 2331 1 4 . 1 1 785 785 ASP CB C 785 39.657 39.657 43.024 -3.367 25870 2332 1 4 . 1 1 785 785 ASP H H 785 8.145 8.145 7.690 0.455 25870 2333 1 4 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.272 -0.001 25870 2334 1 4 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.263 1.002 25870 2335 1 4 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.207 -0.196 25870 2336 1 4 . 1 1 787 787 GLN N N 787 118.097 118.097 117.579 0.518 25870 2337 1 4 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.371 -0.230 25870 2338 1 4 . 1 1 787 787 GLN CA C 787 59.115 59.115 57.827 1.288 25870 2339 1 4 . 1 1 787 787 GLN CB C 787 27.732 27.732 29.256 -1.524 25870 2340 1 4 . 1 1 787 787 GLN H H 787 8.409 8.409 8.901 -0.492 25870 2341 1 4 . 1 1 788 788 GLY N N 788 113.421 113.421 108.501 4.920 25870 2342 1 4 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.990 0.327 25870 2343 1 4 . 1 1 788 788 GLY H H 788 8.644 8.644 8.242 0.402 25870 2344 1 4 . 1 1 789 789 GLU N N 789 121.223 121.223 121.317 -0.094 25870 2345 1 4 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.235 -0.087 25870 2346 1 4 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.176 0.168 25870 2347 1 4 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.362 0.073 25870 2348 1 4 . 1 1 789 789 GLU H H 789 8.514 8.514 8.515 -0.001 25870 2349 1 4 . 1 1 790 790 ALA N N 790 122.879 122.879 122.446 0.433 25870 2350 1 4 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.259 -0.012 25870 2351 1 4 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.080 -0.173 25870 2352 1 4 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.533 -0.753 25870 2353 1 4 . 1 1 790 790 ALA H H 790 8.024 8.024 7.725 0.299 25870 2354 1 4 . 1 1 791 791 GLU N N 791 122.622 122.622 119.325 3.297 25870 2355 1 4 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.114 0.573 25870 2356 1 4 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.619 -0.485 25870 2357 1 4 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.487 -0.426 25870 2358 1 4 . 1 1 791 791 GLU H H 791 8.280 8.280 7.841 0.439 25870 2359 1 4 . 1 1 792 792 PHE N N 792 119.949 119.949 121.212 -1.263 25870 2360 1 4 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.212 -0.174 25870 2361 1 4 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.403 0.409 25870 2362 1 4 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.572 0.026 25870 2363 1 4 . 1 1 792 792 PHE H H 792 8.722 8.722 8.862 -0.140 25870 2364 1 4 . 1 1 793 793 ALA N N 793 119.652 119.652 121.307 -1.655 25870 2365 1 4 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.373 0.481 25870 2366 1 4 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.442 0.460 25870 2367 1 4 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.949 -0.321 25870 2368 1 4 . 1 1 793 793 ALA H H 793 8.163 8.163 7.636 0.527 25870 2369 1 4 . 1 1 794 794 ARG N N 794 121.092 121.092 119.421 1.671 25870 2370 1 4 . 1 1 794 794 ARG HA H 794 3.910 3.910 4.001 -0.091 25870 2371 1 4 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.103 0.368 25870 2372 1 4 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.192 -0.100 25870 2373 1 4 . 1 1 794 794 ARG H H 794 8.034 8.034 7.659 0.375 25870 2374 1 4 . 1 1 795 795 ILE N N 795 121.394 121.394 120.450 0.944 25870 2375 1 4 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.701 -0.313 25870 2376 1 4 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.368 0.480 25870 2377 1 4 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.308 -0.099 25870 2378 1 4 . 1 1 795 795 ILE H H 795 8.049 8.049 8.196 -0.147 25870 2379 1 4 . 1 1 796 796 MET N N 796 119.012 119.012 118.443 0.569 25870 2380 1 4 . 1 1 796 796 MET HA H 796 4.155 4.155 3.921 0.234 25870 2381 1 4 . 1 1 796 796 MET CA C 796 56.470 56.470 58.390 -1.920 25870 2382 1 4 . 1 1 796 796 MET CB C 796 29.892 29.892 31.660 -1.768 25870 2383 1 4 . 1 1 796 796 MET H H 796 8.589 8.589 8.107 0.482 25870 2384 1 4 . 1 1 797 797 SER N N 797 114.132 114.132 112.894 1.238 25870 2385 1 4 . 1 1 797 797 SER HA H 797 4.097 4.097 4.238 -0.141 25870 2386 1 4 . 1 1 797 797 SER CA C 797 61.231 61.231 60.148 1.083 25870 2387 1 4 . 1 1 797 797 SER CB C 797 62.895 62.895 63.500 -0.605 25870 2388 1 4 . 1 1 797 797 SER H H 797 7.732 7.732 7.523 0.209 25870 2389 1 4 . 1 1 798 798 ILE N N 798 120.873 120.873 116.724 4.149 25870 2390 1 4 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.189 -0.371 25870 2391 1 4 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.118 0.756 25870 2392 1 4 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.731 0.132 25870 2393 1 4 . 1 1 798 798 ILE H H 798 7.352 7.352 7.779 -0.427 25870 2394 1 4 . 1 1 799 799 VAL N N 799 110.552 110.552 113.064 -2.512 25870 2395 1 4 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.076 0.167 25870 2396 1 4 . 1 1 799 799 VAL CA C 799 62.616 62.616 60.732 1.884 25870 2397 1 4 . 1 1 799 799 VAL CB C 799 32.416 32.416 30.749 1.667 25870 2398 1 4 . 1 1 799 799 VAL H H 799 7.648 7.648 7.827 -0.179 25870 2399 1 4 . 1 1 800 800 ASP N N 800 119.435 119.435 120.141 -0.706 25870 2400 1 4 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.098 0.127 25870 2401 1 4 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.080 1.635 25870 2402 1 4 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.450 -0.364 25870 2403 1 4 . 1 1 800 800 ASP H H 800 8.074 8.074 7.543 0.531 25870 2404 1 4 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.371 -0.040 25870 2405 1 4 . 1 1 801 801 PRO CA C 801 64.819 64.819 64.042 0.777 25870 2406 1 4 . 1 1 801 801 PRO CB C 801 31.689 31.689 31.994 -0.305 25870 2407 1 4 . 1 1 802 802 ASN N N 802 115.164 115.164 116.243 -1.079 25870 2408 1 4 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.712 0.048 25870 2409 1 4 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.745 0.253 25870 2410 1 4 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.696 -1.744 25870 2411 1 4 . 1 1 802 802 ASN H H 802 8.949 8.949 7.639 1.310 25870 2412 1 4 . 1 1 803 803 ARG N N 803 117.446 117.446 115.944 1.502 25870 2413 1 4 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.244 -0.414 25870 2414 1 4 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.812 0.076 25870 2415 1 4 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.028 -0.674 25870 2416 1 4 . 1 1 803 803 ARG H H 803 7.958 7.958 7.882 0.076 25870 2417 1 4 . 1 1 804 804 LEU N N 804 123.307 123.307 116.631 6.676 25870 2418 1 4 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.715 -0.559 25870 2419 1 4 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.345 2.028 25870 2420 1 4 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.753 1.177 25870 2421 1 4 . 1 1 804 804 LEU H H 804 10.591 10.591 8.166 2.425 25870 2422 1 4 . 1 1 805 805 GLY N N 805 110.516 110.516 107.598 2.918 25870 2423 1 4 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.822 -0.878 25870 2424 1 4 . 1 1 805 805 GLY H H 805 11.001 11.001 8.389 2.612 25870 2425 1 4 . 1 1 806 806 VAL N N 806 109.840 109.840 114.976 -5.136 25870 2426 1 4 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.319 0.252 25870 2427 1 4 . 1 1 806 806 VAL CA C 806 58.566 58.566 60.167 -1.601 25870 2428 1 4 . 1 1 806 806 VAL CB C 806 36.853 36.853 35.028 1.825 25870 2429 1 4 . 1 1 806 806 VAL H H 806 6.831 6.831 7.084 -0.253 25870 2430 1 4 . 1 1 807 807 VAL N N 807 122.184 122.184 123.128 -0.944 25870 2431 1 4 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.367 -0.200 25870 2432 1 4 . 1 1 807 807 VAL CA C 807 61.644 61.644 61.443 0.201 25870 2433 1 4 . 1 1 807 807 VAL CB C 807 32.383 32.383 31.579 0.804 25870 2434 1 4 . 1 1 807 807 VAL H H 807 9.007 9.007 8.915 0.092 25870 2435 1 4 . 1 1 808 808 THR N N 808 117.391 117.391 117.320 0.071 25870 2436 1 4 . 1 1 808 808 THR HA H 808 4.593 4.593 4.701 -0.108 25870 2437 1 4 . 1 1 808 808 THR CA C 808 60.615 60.615 58.814 1.801 25870 2438 1 4 . 1 1 808 808 THR CB C 808 70.695 70.695 71.480 -0.785 25870 2439 1 4 . 1 1 808 808 THR H H 808 7.925 7.925 7.614 0.311 25870 2440 1 4 . 1 1 809 809 PHE N N 809 122.236 122.236 118.446 3.790 25870 2441 1 4 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.505 -0.865 25870 2442 1 4 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.586 0.163 25870 2443 1 4 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.561 0.616 25870 2444 1 4 . 1 1 809 809 PHE H H 809 9.349 9.349 8.320 1.029 25870 2445 1 4 . 1 1 810 810 GLN N N 810 116.788 116.788 117.332 -0.544 25870 2446 1 4 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.219 -0.621 25870 2447 1 4 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.779 0.803 25870 2448 1 4 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.512 -0.313 25870 2449 1 4 . 1 1 810 810 GLN H H 810 8.572 8.572 7.864 0.708 25870 2450 1 4 . 1 1 811 811 ALA N N 811 121.208 121.208 121.805 -0.597 25870 2451 1 4 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.213 -0.094 25870 2452 1 4 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.724 1.187 25870 2453 1 4 . 1 1 811 811 ALA CB C 811 19.265 19.265 19.004 0.261 25870 2454 1 4 . 1 1 811 811 ALA H H 811 7.667 7.667 7.684 -0.017 25870 2455 1 4 . 1 1 812 812 PHE N N 812 119.805 119.805 118.961 0.844 25870 2456 1 4 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.386 -0.406 25870 2457 1 4 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.088 -0.348 25870 2458 1 4 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.749 0.921 25870 2459 1 4 . 1 1 812 812 PHE H H 812 8.400 8.400 8.398 0.002 25870 2460 1 4 . 1 1 813 813 ILE N N 813 118.098 118.098 118.844 -0.746 25870 2461 1 4 . 1 1 813 813 ILE HA H 813 3.146 3.146 3.991 -0.845 25870 2462 1 4 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.511 0.788 25870 2463 1 4 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.401 -0.199 25870 2464 1 4 . 1 1 813 813 ILE H H 813 8.364 8.364 7.852 0.512 25870 2465 1 4 . 1 1 814 814 ASP N N 814 123.528 123.528 120.301 3.227 25870 2466 1 4 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.378 -0.182 25870 2467 1 4 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.283 0.397 25870 2468 1 4 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.770 -0.534 25870 2469 1 4 . 1 1 814 814 ASP H H 814 8.221 8.221 7.877 0.344 25870 2470 1 4 . 1 1 815 815 PHE N N 815 120.584 120.584 118.855 1.729 25870 2471 1 4 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.469 -0.340 25870 2472 1 4 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.440 0.644 25870 2473 1 4 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.823 -0.125 25870 2474 1 4 . 1 1 815 815 PHE H H 815 7.887 7.887 7.826 0.061 25870 2475 1 4 . 1 1 816 816 MET N N 816 116.960 116.960 120.890 -3.930 25870 2476 1 4 . 1 1 816 816 MET HA H 816 3.782 3.782 4.074 -0.292 25870 2477 1 4 . 1 1 816 816 MET CA C 816 55.662 55.662 56.853 -1.191 25870 2478 1 4 . 1 1 816 816 MET CB C 816 30.033 30.033 31.255 -1.222 25870 2479 1 4 . 1 1 816 816 MET H H 816 8.372 8.372 8.218 0.154 25870 2480 1 4 . 1 1 817 817 SER N N 817 114.277 114.277 114.221 0.056 25870 2481 1 4 . 1 1 817 817 SER HA H 817 4.194 4.194 4.340 -0.146 25870 2482 1 4 . 1 1 817 817 SER CA C 817 60.521 60.521 60.182 0.339 25870 2483 1 4 . 1 1 817 817 SER CB C 817 63.185 63.185 63.155 0.030 25870 2484 1 4 . 1 1 817 817 SER H H 817 8.074 8.074 8.419 -0.345 25870 2485 1 4 . 1 1 818 818 ARG N N 818 121.493 121.493 119.985 1.508 25870 2486 1 4 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.121 0.003 25870 2487 1 4 . 1 1 818 818 ARG CA C 818 57.684 57.684 56.878 0.806 25870 2488 1 4 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.429 0.886 25870 2489 1 4 . 1 1 818 818 ARG H H 818 7.288 7.288 8.023 -0.735 25870 2490 1 4 . 1 1 819 819 GLU N N 819 119.737 119.737 117.807 1.930 25870 2491 1 4 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.066 0.035 25870 2492 1 4 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.873 -1.807 25870 2493 1 4 . 1 1 819 819 GLU CB C 819 30.491 30.491 28.858 1.633 25870 2494 1 4 . 1 1 819 819 GLU H H 819 8.045 8.045 7.619 0.426 25870 2495 1 4 . 1 1 820 820 THR N N 820 112.128 112.128 109.226 2.902 25870 2496 1 4 . 1 1 820 820 THR HA H 820 4.280 4.280 3.505 0.775 25870 2497 1 4 . 1 1 820 820 THR CA C 820 62.055 62.055 62.431 -0.376 25870 2498 1 4 . 1 1 820 820 THR CB C 820 69.828 69.828 68.621 1.207 25870 2499 1 4 . 1 1 820 820 THR H H 820 7.760 7.760 7.401 0.359 25870 2500 1 4 . 1 1 821 821 ALA N N 821 126.098 126.098 123.709 2.389 25870 2501 1 4 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.399 -0.115 25870 2502 1 4 . 1 1 821 821 ALA CA C 821 52.726 52.726 51.118 1.608 25870 2503 1 4 . 1 1 821 821 ALA CB C 821 19.304 19.304 21.012 -1.708 25870 2504 1 4 . 1 1 821 821 ALA H H 821 7.957 7.957 7.235 0.722 25870 2505 1 4 . 1 1 822 822 ASP N N 822 119.904 119.904 120.950 -1.046 25870 2506 1 4 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.695 -0.082 25870 2507 1 4 . 1 1 822 822 ASP CA C 822 54.335 54.335 55.018 -0.683 25870 2508 1 4 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.675 -0.643 25870 2509 1 4 . 1 1 822 822 ASP H H 822 8.352 8.352 8.396 -0.044 25870 2510 1 4 . 1 1 823 823 THR N N 823 114.142 114.142 117.053 -2.911 25870 2511 1 4 . 1 1 823 823 THR HA H 823 4.278 4.278 4.559 -0.281 25870 2512 1 4 . 1 1 823 823 THR CA C 823 62.117 62.117 60.980 1.137 25870 2513 1 4 . 1 1 823 823 THR CB C 823 69.584 69.584 71.313 -1.729 25870 2514 1 4 . 1 1 823 823 THR H H 823 8.079 8.079 8.118 -0.039 25870 2515 1 4 . 1 1 824 824 ASP N N 824 123.261 123.261 121.332 1.929 25870 2516 1 4 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.560 0.097 25870 2517 1 4 . 1 1 824 824 ASP CA C 824 54.786 54.786 56.775 -1.989 25870 2518 1 4 . 1 1 824 824 ASP CB C 824 41.085 41.085 41.361 -0.276 25870 2519 1 4 . 1 1 824 824 ASP H H 824 8.431 8.431 8.795 -0.364 25870 2520 1 4 . 1 1 825 825 THR N N 825 114.932 114.932 113.660 1.272 25870 2521 1 4 . 1 1 825 825 THR HA H 825 4.161 4.161 4.178 -0.017 25870 2522 1 4 . 1 1 825 825 THR CA C 825 63.109 63.109 64.862 -1.753 25870 2523 1 4 . 1 1 825 825 THR CB C 825 69.455 69.455 68.515 0.940 25870 2524 1 4 . 1 1 825 825 THR H H 825 8.155 8.155 8.619 -0.464 25870 2525 1 4 . 1 1 826 826 ALA N N 826 124.961 124.961 124.410 0.551 25870 2526 1 4 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.117 0.043 25870 2527 1 4 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.426 -0.034 25870 2528 1 4 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.375 0.235 25870 2529 1 4 . 1 1 826 826 ALA H H 826 8.379 8.379 7.447 0.932 25870 2530 1 4 . 1 1 827 827 ASP N N 827 117.765 117.765 118.180 -0.415 25870 2531 1 4 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.307 0.118 25870 2532 1 4 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.369 -1.318 25870 2533 1 4 . 1 1 827 827 ASP CB C 827 40.559 40.559 40.962 -0.403 25870 2534 1 4 . 1 1 827 827 ASP H H 827 8.250 8.250 7.851 0.399 25870 2535 1 4 . 1 1 828 828 GLN N N 828 120.523 120.523 118.030 2.493 25870 2536 1 4 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.086 0.005 25870 2537 1 4 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.283 -0.469 25870 2538 1 4 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.758 -0.209 25870 2539 1 4 . 1 1 828 828 GLN H H 828 8.076 8.076 7.678 0.398 25870 2540 1 4 . 1 1 829 829 VAL N N 829 120.970 120.970 118.119 2.851 25870 2541 1 4 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.796 -0.271 25870 2542 1 4 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.189 1.005 25870 2543 1 4 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.899 -0.358 25870 2544 1 4 . 1 1 829 829 VAL H H 829 8.051 8.051 7.231 0.820 25870 2545 1 4 . 1 1 830 830 MET N N 830 119.572 119.572 118.596 0.976 25870 2546 1 4 . 1 1 830 830 MET HA H 830 4.006 4.006 3.326 0.680 25870 2547 1 4 . 1 1 830 830 MET CA C 830 57.977 57.977 57.831 0.146 25870 2548 1 4 . 1 1 830 830 MET CB C 830 31.995 31.995 31.832 0.163 25870 2549 1 4 . 1 1 830 830 MET H H 830 8.110 8.110 8.476 -0.366 25870 2550 1 4 . 1 1 831 831 ALA N N 831 121.059 121.059 122.707 -1.648 25870 2551 1 4 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.927 0.118 25870 2552 1 4 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.530 -0.029 25870 2553 1 4 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.623 0.444 25870 2554 1 4 . 1 1 831 831 ALA H H 831 7.836 7.836 7.781 0.055 25870 2555 1 4 . 1 1 832 832 SER N N 832 114.256 114.256 115.468 -1.212 25870 2556 1 4 . 1 1 832 832 SER HA H 832 4.141 4.141 4.081 0.060 25870 2557 1 4 . 1 1 832 832 SER CA C 832 60.845 60.845 61.247 -0.402 25870 2558 1 4 . 1 1 832 832 SER CB C 832 62.613 62.613 62.714 -0.101 25870 2559 1 4 . 1 1 832 832 SER H H 832 7.714 7.714 7.659 0.055 25870 2560 1 4 . 1 1 833 833 PHE N N 833 121.847 121.847 121.346 0.501 25870 2561 1 4 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.241 -0.418 25870 2562 1 4 . 1 1 833 833 PHE CA C 833 58.627 58.627 59.005 -0.378 25870 2563 1 4 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.377 0.750 25870 2564 1 4 . 1 1 833 833 PHE H H 833 7.740 7.740 7.587 0.153 25870 2565 1 4 . 1 1 834 834 LYS N N 834 118.759 118.759 119.980 -1.221 25870 2566 1 4 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.499 0.090 25870 2567 1 4 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.140 1.244 25870 2568 1 4 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.751 0.392 25870 2569 1 4 . 1 1 834 834 LYS H H 834 7.843 7.843 7.703 0.140 25870 2570 1 4 . 1 1 835 835 ILE N N 835 118.537 118.537 120.041 -1.504 25870 2571 1 4 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.772 -0.036 25870 2572 1 4 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.513 -0.799 25870 2573 1 4 . 1 1 835 835 ILE CB C 835 37.825 37.825 38.062 -0.237 25870 2574 1 4 . 1 1 835 835 ILE H H 835 7.315 7.315 7.398 -0.083 25870 2575 1 4 . 1 1 836 836 LEU N N 836 121.201 121.201 119.759 1.442 25870 2576 1 4 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.868 0.087 25870 2577 1 4 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.130 -0.056 25870 2578 1 4 . 1 1 836 836 LEU CB C 836 42.415 42.415 42.117 0.298 25870 2579 1 4 . 1 1 836 836 LEU H H 836 7.625 7.625 7.974 -0.349 25870 2580 1 4 . 1 1 837 837 ALA N N 837 119.184 119.184 118.753 0.431 25870 2581 1 4 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.949 -0.054 25870 2582 1 4 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.894 -0.593 25870 2583 1 4 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.184 0.154 25870 2584 1 4 . 1 1 837 837 ALA H H 837 8.099 8.099 7.786 0.313 25870 2585 1 4 . 1 1 838 838 GLY N N 838 107.030 107.030 106.670 0.360 25870 2586 1 4 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.724 0.194 25870 2587 1 4 . 1 1 838 838 GLY H H 838 7.676 7.676 8.191 -0.515 25870 2588 1 4 . 1 1 839 839 ASP N N 839 122.291 122.291 124.027 -1.736 25870 2589 1 4 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.843 -0.366 25870 2590 1 4 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.731 0.780 25870 2591 1 4 . 1 1 839 839 ASP CB C 839 40.181 40.181 42.484 -2.303 25870 2592 1 4 . 1 1 839 839 ASP H H 839 8.704 8.704 8.081 0.623 25870 2593 1 4 . 1 1 840 840 LYS N N 840 117.582 117.582 120.750 -3.168 25870 2594 1 4 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.311 -0.010 25870 2595 1 4 . 1 1 840 840 LYS CA C 840 55.780 55.780 56.200 -0.420 25870 2596 1 4 . 1 1 840 840 LYS CB C 840 33.710 33.710 32.661 1.049 25870 2597 1 4 . 1 1 840 840 LYS H H 840 7.583 7.583 7.445 0.138 25870 2598 1 4 . 1 1 841 841 ASN N N 841 116.678 116.678 116.719 -0.041 25870 2599 1 4 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.621 -0.010 25870 2600 1 4 . 1 1 841 841 ASN CA C 841 53.466 53.466 54.106 -0.640 25870 2601 1 4 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.121 0.034 25870 2602 1 4 . 1 1 841 841 ASN H H 841 8.693 8.693 8.985 -0.292 25870 2603 1 4 . 1 1 842 842 TYR N N 842 112.236 112.236 113.941 -1.705 25870 2604 1 4 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.795 0.191 25870 2605 1 4 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.271 -1.353 25870 2606 1 4 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.362 0.233 25870 2607 1 4 . 1 1 842 842 TYR H H 842 6.637 6.637 7.267 -0.630 25870 2608 1 4 . 1 1 843 843 ILE N N 843 115.475 115.475 121.353 -5.878 25870 2609 1 4 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.595 0.197 25870 2610 1 4 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.459 0.498 25870 2611 1 4 . 1 1 843 843 ILE CB C 843 43.009 43.009 43.010 -0.001 25870 2612 1 4 . 1 1 843 843 ILE H H 843 8.630 8.630 9.286 -0.656 25870 2613 1 4 . 1 1 844 844 THR N N 844 117.169 117.169 118.418 -1.249 25870 2614 1 4 . 1 1 844 844 THR HA H 844 5.370 5.370 5.217 0.153 25870 2615 1 4 . 1 1 844 844 THR CA C 844 60.177 60.177 60.245 -0.068 25870 2616 1 4 . 1 1 844 844 THR CB C 844 71.088 71.088 70.607 0.481 25870 2617 1 4 . 1 1 844 844 THR H H 844 9.330 9.330 9.373 -0.043 25870 2618 1 4 . 1 1 845 845 MET N N 845 119.860 119.860 120.392 -0.532 25870 2619 1 4 . 1 1 845 845 MET HA H 845 3.824 3.824 4.010 -0.186 25870 2620 1 4 . 1 1 845 845 MET CA C 845 60.321 60.321 60.545 -0.224 25870 2621 1 4 . 1 1 845 845 MET CB C 845 33.030 33.030 32.145 0.885 25870 2622 1 4 . 1 1 845 845 MET H H 845 8.556 8.556 8.628 -0.072 25870 2623 1 4 . 1 1 846 846 ASP N N 846 116.363 116.363 118.257 -1.894 25870 2624 1 4 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.406 -0.126 25870 2625 1 4 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.694 0.710 25870 2626 1 4 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.742 -0.158 25870 2627 1 4 . 1 1 846 846 ASP H H 846 8.377 8.377 8.664 -0.287 25870 2628 1 4 . 1 1 847 847 GLU N N 847 120.577 120.577 118.193 2.384 25870 2629 1 4 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.157 -0.303 25870 2630 1 4 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.834 0.823 25870 2631 1 4 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.103 -0.443 25870 2632 1 4 . 1 1 847 847 GLU H H 847 7.855 7.855 7.576 0.279 25870 2633 1 4 . 1 1 848 848 LEU N N 848 118.714 118.714 119.932 -1.218 25870 2634 1 4 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.026 -0.204 25870 2635 1 4 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.748 0.977 25870 2636 1 4 . 1 1 848 848 LEU CB C 848 42.457 42.457 41.925 0.532 25870 2637 1 4 . 1 1 848 848 LEU H H 848 7.849 7.849 7.603 0.246 25870 2638 1 4 . 1 1 849 849 ARG N N 849 113.972 113.972 115.192 -1.220 25870 2639 1 4 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.380 -0.456 25870 2640 1 4 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.547 1.048 25870 2641 1 4 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.582 0.518 25870 2642 1 4 . 1 1 849 849 ARG H H 849 8.053 8.053 7.979 0.074 25870 2643 1 4 . 1 1 850 850 ARG N N 850 118.178 118.178 118.930 -0.752 25870 2644 1 4 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.361 -0.168 25870 2645 1 4 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.640 0.605 25870 2646 1 4 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.539 -0.419 25870 2647 1 4 . 1 1 850 850 ARG H H 850 7.743 7.743 7.640 0.103 25870 2648 1 4 . 1 1 851 851 GLU N N 851 115.518 115.518 118.706 -3.188 25870 2649 1 4 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.267 0.083 25870 2650 1 4 . 1 1 851 851 GLU CA C 851 56.886 56.886 58.263 -1.377 25870 2651 1 4 . 1 1 851 851 GLU CB C 851 31.590 31.590 30.540 1.050 25870 2652 1 4 . 1 1 851 851 GLU H H 851 7.596 7.596 7.873 -0.277 25870 2653 1 4 . 1 1 852 852 LEU N N 852 119.148 119.148 122.061 -2.913 25870 2654 1 4 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.022 -0.128 25870 2655 1 4 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.031 1.143 25870 2656 1 4 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.368 1.101 25870 2657 1 4 . 1 1 852 852 LEU H H 852 7.890 7.890 7.953 -0.063 25870 2658 1 4 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.427 -0.080 25870 2659 1 4 . 1 1 853 853 PRO CA C 853 65.119 65.119 64.083 1.036 25870 2660 1 4 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.807 0.824 25870 2661 1 4 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.488 -0.218 25870 2662 1 4 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.860 4.476 25870 2663 1 4 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.133 -0.877 25870 2664 1 4 . 1 1 855 855 ASP N N 855 114.865 114.865 119.262 -4.397 25870 2665 1 4 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.271 0.078 25870 2666 1 4 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.203 -0.290 25870 2667 1 4 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.908 -1.664 25870 2668 1 4 . 1 1 855 855 ASP H H 855 8.801 8.801 8.304 0.497 25870 2669 1 4 . 1 1 856 856 GLN N N 856 121.465 121.465 118.712 2.753 25870 2670 1 4 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.307 -0.108 25870 2671 1 4 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.306 -0.989 25870 2672 1 4 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.316 0.931 25870 2673 1 4 . 1 1 856 856 GLN H H 856 7.472 7.472 8.492 -1.020 25870 2674 1 4 . 1 1 857 857 ALA N N 857 122.805 122.805 122.322 0.483 25870 2675 1 4 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.930 -0.131 25870 2676 1 4 . 1 1 857 857 ALA CA C 857 56.303 56.303 55.853 0.450 25870 2677 1 4 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.275 -0.331 25870 2678 1 4 . 1 1 857 857 ALA H H 857 8.882 8.882 8.311 0.571 25870 2679 1 4 . 1 1 858 858 GLU N N 858 114.094 114.094 118.686 -4.592 25870 2680 1 4 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.046 -0.022 25870 2681 1 4 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.456 0.226 25870 2682 1 4 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.219 -0.580 25870 2683 1 4 . 1 1 858 858 GLU H H 858 8.155 8.155 7.835 0.320 25870 2684 1 4 . 1 1 859 859 TYR N N 859 120.665 120.665 122.514 -1.849 25870 2685 1 4 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.176 -0.092 25870 2686 1 4 . 1 1 859 859 TYR CA C 859 61.006 61.006 61.288 -0.282 25870 2687 1 4 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.158 0.529 25870 2688 1 4 . 1 1 859 859 TYR H H 859 7.708 7.708 8.512 -0.804 25870 2689 1 4 . 1 1 860 860 CYS N N 860 115.812 115.812 117.034 -1.222 25870 2690 1 4 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.398 0.760 25870 2691 1 4 . 1 1 860 860 CYS CA C 860 64.254 64.254 64.054 0.200 25870 2692 1 4 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.846 0.458 25870 2693 1 4 . 1 1 860 860 CYS H H 860 8.113 8.113 7.952 0.161 25870 2694 1 4 . 1 1 861 861 ILE N N 861 120.078 120.078 120.248 -0.170 25870 2695 1 4 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.596 -0.257 25870 2696 1 4 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.294 0.349 25870 2697 1 4 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.680 1.034 25870 2698 1 4 . 1 1 861 861 ILE H H 861 8.453 8.453 7.798 0.655 25870 2699 1 4 . 1 1 862 862 ALA N N 862 116.691 116.691 122.229 -5.538 25870 2700 1 4 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.026 0.183 25870 2701 1 4 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.979 -1.757 25870 2702 1 4 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.875 0.127 25870 2703 1 4 . 1 1 862 862 ALA H H 862 7.307 7.307 8.277 -0.970 25870 2704 1 4 . 1 1 863 863 ARG N N 863 117.226 117.226 116.058 1.168 25870 2705 1 4 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.405 -0.131 25870 2706 1 4 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.922 -0.871 25870 2707 1 4 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.623 0.766 25870 2708 1 4 . 1 1 863 863 ARG H H 863 7.358 7.358 7.554 -0.196 25870 2709 1 4 . 1 1 864 864 MET N N 864 117.583 117.583 118.321 -0.738 25870 2710 1 4 . 1 1 864 864 MET HA H 864 4.561 4.561 4.461 0.100 25870 2711 1 4 . 1 1 864 864 MET CA C 864 54.927 54.927 55.900 -0.973 25870 2712 1 4 . 1 1 864 864 MET CB C 864 37.418 37.418 34.402 3.016 25870 2713 1 4 . 1 1 864 864 MET H H 864 7.153 7.153 7.424 -0.271 25870 2714 1 4 . 1 1 865 865 ALA N N 865 124.643 124.643 125.694 -1.051 25870 2715 1 4 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.621 -0.755 25870 2716 1 4 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.778 -0.584 25870 2717 1 4 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.258 0.389 25870 2718 1 4 . 1 1 865 865 ALA H H 865 8.557 8.557 8.140 0.417 25870 2719 1 4 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.486 0.010 25870 2720 1 4 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.929 -0.205 25870 2721 1 4 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.353 1.627 25870 2722 1 4 . 1 1 867 867 TYR N N 867 122.461 122.461 126.190 -3.729 25870 2723 1 4 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.478 0.250 25870 2724 1 4 . 1 1 867 867 TYR CA C 867 57.096 57.096 56.529 0.567 25870 2725 1 4 . 1 1 867 867 TYR CB C 867 39.175 39.175 38.385 0.790 25870 2726 1 4 . 1 1 867 867 TYR H H 867 8.128 8.128 8.187 -0.059 25870 2727 1 4 . 1 1 868 868 THR HA H 868 4.351 4.351 4.653 -0.302 25870 2728 1 4 . 1 1 868 868 THR CA C 868 60.271 60.271 60.281 -0.010 25870 2729 1 4 . 1 1 868 868 THR CB C 868 68.737 68.737 71.400 -2.663 25870 2730 1 4 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.124 -0.210 25870 2731 1 4 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.503 -0.174 25870 2732 1 4 . 1 1 870 870 PRO CA C 870 64.697 64.697 63.972 0.725 25870 2733 1 4 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.206 -0.628 25870 2734 1 4 . 1 1 871 871 ASP N N 871 116.207 116.207 117.765 -1.558 25870 2735 1 4 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.564 0.040 25870 2736 1 4 . 1 1 871 871 ASP CA C 871 52.749 52.749 54.656 -1.907 25870 2737 1 4 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.377 -1.448 25870 2738 1 4 . 1 1 871 871 ASP H H 871 9.267 9.267 8.313 0.954 25870 2739 1 4 . 1 1 872 872 SER N N 872 112.349 112.349 115.293 -2.944 25870 2740 1 4 . 1 1 872 872 SER HA H 872 3.497 3.497 4.514 -1.017 25870 2741 1 4 . 1 1 872 872 SER CA C 872 59.065 59.065 57.905 1.160 25870 2742 1 4 . 1 1 872 872 SER CB C 872 63.125 63.125 64.955 -1.830 25870 2743 1 4 . 1 1 872 872 SER H H 872 7.487 7.487 7.468 0.019 25870 2744 1 4 . 1 1 873 873 VAL N N 873 113.567 113.567 113.918 -0.351 25870 2745 1 4 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.607 0.122 25870 2746 1 4 . 1 1 873 873 VAL CA C 873 58.044 58.044 57.898 0.145 25870 2747 1 4 . 1 1 873 873 VAL CB C 873 32.911 32.911 32.862 0.049 25870 2748 1 4 . 1 1 873 873 VAL H H 873 6.411 6.411 8.042 -1.631 25870 2749 1 4 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.420 -0.124 25870 2750 1 4 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.823 0.512 25870 2751 1 4 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.799 -0.284 25870 2752 1 4 . 1 1 875 875 GLY N N 875 112.118 112.118 107.362 4.756 25870 2753 1 4 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.512 1.045 25870 2754 1 4 . 1 1 875 875 GLY H H 875 8.800 8.800 8.068 0.732 25870 2755 1 4 . 1 1 876 876 ALA N N 876 120.262 120.262 124.330 -4.068 25870 2756 1 4 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.527 -1.427 25870 2757 1 4 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.234 2.839 25870 2758 1 4 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.640 -1.133 25870 2759 1 4 . 1 1 876 876 ALA H H 876 7.762 7.762 7.740 0.022 25870 2760 1 4 . 1 1 877 877 LEU N N 877 125.695 125.695 120.961 4.734 25870 2761 1 4 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.186 -0.410 25870 2762 1 4 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.669 0.600 25870 2763 1 4 . 1 1 877 877 LEU CB C 877 44.799 44.799 46.983 -2.184 25870 2764 1 4 . 1 1 877 877 LEU H H 877 9.595 9.595 9.339 0.256 25870 2765 1 4 . 1 1 878 878 ASP N N 878 119.823 119.823 121.510 -1.687 25870 2766 1 4 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.568 0.311 25870 2767 1 4 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.524 -0.527 25870 2768 1 4 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.612 -0.831 25870 2769 1 4 . 1 1 878 878 ASP H H 878 9.031 9.031 7.904 1.127 25870 2770 1 4 . 1 1 879 879 TYR N N 879 126.556 126.556 122.976 3.580 25870 2771 1 4 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.327 0.264 25870 2772 1 4 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.721 -0.325 25870 2773 1 4 . 1 1 879 879 TYR CB C 879 37.321 37.321 38.028 -0.707 25870 2774 1 4 . 1 1 879 879 TYR H H 879 7.456 7.456 8.003 -0.547 25870 2775 1 4 . 1 1 880 880 MET N N 880 119.958 119.958 114.254 5.704 25870 2776 1 4 . 1 1 880 880 MET HA H 880 4.605 4.605 4.804 -0.199 25870 2777 1 4 . 1 1 880 880 MET CA C 880 56.044 56.044 56.558 -0.514 25870 2778 1 4 . 1 1 880 880 MET CB C 880 30.101 30.101 33.840 -3.739 25870 2779 1 4 . 1 1 880 880 MET H H 880 7.627 7.627 7.665 -0.038 25870 2780 1 4 . 1 1 881 881 SER N N 881 114.328 114.328 115.851 -1.523 25870 2781 1 4 . 1 1 881 881 SER HA H 881 4.471 4.471 4.613 -0.142 25870 2782 1 4 . 1 1 881 881 SER CA C 881 58.917 58.917 57.483 1.434 25870 2783 1 4 . 1 1 881 881 SER CB C 881 64.447 64.447 63.641 0.806 25870 2784 1 4 . 1 1 881 881 SER H H 881 7.726 7.726 8.110 -0.384 25870 2785 1 4 . 1 1 882 882 PHE N N 882 122.735 122.735 120.022 2.713 25870 2786 1 4 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.397 0.325 25870 2787 1 4 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.454 1.777 25870 2788 1 4 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.153 1.132 25870 2789 1 4 . 1 1 882 882 PHE H H 882 7.385 7.385 7.620 -0.235 25870 2790 1 4 . 1 1 883 883 SER N N 883 120.156 120.156 116.659 3.497 25870 2791 1 4 . 1 1 883 883 SER HA H 883 4.299 4.299 4.421 -0.122 25870 2792 1 4 . 1 1 883 883 SER CA C 883 57.280 57.280 57.177 0.103 25870 2793 1 4 . 1 1 883 883 SER CB C 883 64.601 64.601 63.732 0.869 25870 2794 1 4 . 1 1 883 883 SER H H 883 7.472 7.472 8.515 -1.043 25870 2795 1 4 . 1 1 884 884 THR N N 884 110.683 110.683 120.943 -10.260 25870 2796 1 4 . 1 1 884 884 THR HA H 884 3.966 3.966 4.166 -0.200 25870 2797 1 4 . 1 1 884 884 THR CA C 884 63.465 63.465 63.479 -0.014 25870 2798 1 4 . 1 1 884 884 THR CB C 884 68.899 68.899 68.372 0.527 25870 2799 1 4 . 1 1 884 884 THR H H 884 7.996 7.996 8.350 -0.354 25870 2800 1 4 . 1 1 885 885 ALA N N 885 125.456 125.456 122.765 2.691 25870 2801 1 4 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.399 -0.163 25870 2802 1 4 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.662 0.368 25870 2803 1 4 . 1 1 885 885 ALA CB C 885 19.225 19.225 19.069 0.156 25870 2804 1 4 . 1 1 885 885 ALA H H 885 7.905 7.905 7.340 0.565 25870 2805 1 4 . 1 1 886 886 LEU N N 886 120.638 120.638 117.021 3.617 25870 2806 1 4 . 1 1 886 886 LEU HA H 886 4.002 4.002 3.830 0.172 25870 2807 1 4 . 1 1 886 886 LEU CA C 886 55.462 55.462 55.238 0.224 25870 2808 1 4 . 1 1 886 886 LEU CB C 886 42.265 42.265 41.001 1.264 25870 2809 1 4 . 1 1 886 886 LEU H H 886 8.079 8.079 7.168 0.911 25870 2810 1 4 . 1 1 887 887 TYR N N 887 121.526 121.526 118.483 3.043 25870 2811 1 4 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.300 0.056 25870 2812 1 4 . 1 1 887 887 TYR CA C 887 58.750 58.750 59.194 -0.444 25870 2813 1 4 . 1 1 887 887 TYR CB C 887 38.569 38.569 37.951 0.618 25870 2814 1 4 . 1 1 887 887 TYR H H 887 8.267 8.267 8.170 0.097 25870 2815 1 4 . 1 1 888 888 GLY N N 888 112.379 112.379 109.201 3.178 25870 2816 1 4 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.592 0.498 25870 2817 1 4 . 1 1 888 888 GLY H H 888 8.087 8.087 7.693 0.394 25870 2818 1 4 . 1 1 889 889 GLU N N 889 120.255 120.255 120.311 -0.056 25870 2819 1 4 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.902 -0.646 25870 2820 1 4 . 1 1 889 889 GLU CA C 889 56.445 56.445 55.782 0.663 25870 2821 1 4 . 1 1 889 889 GLU CB C 889 30.393 30.393 32.345 -1.952 25870 2822 1 4 . 1 1 889 889 GLU H H 889 7.994 7.994 8.988 -0.994 25870 2823 1 4 . 1 1 890 890 SER N N 890 116.375 116.375 117.563 -1.188 25870 2824 1 4 . 1 1 890 890 SER HA H 890 4.415 4.415 5.043 -0.628 25870 2825 1 4 . 1 1 890 890 SER CA C 890 58.204 58.204 57.667 0.537 25870 2826 1 4 . 1 1 890 890 SER CB C 890 63.913 63.913 66.253 -2.340 25870 2827 1 4 . 1 1 890 890 SER H H 890 8.329 8.329 8.603 -0.274 25870 2828 1 4 . 1 1 891 891 ASP N N 891 123.017 123.017 120.059 2.958 25870 2829 1 4 . 1 1 891 891 ASP HA H 891 4.610 4.610 5.278 -0.668 25870 2830 1 4 . 1 1 891 891 ASP CA C 891 54.371 54.371 53.696 0.675 25870 2831 1 4 . 1 1 891 891 ASP CB C 891 41.013 41.013 43.042 -2.029 25870 2832 1 4 . 1 1 891 891 ASP H H 891 8.394 8.394 8.684 -0.290 25870 2833 1 5 . 1 1 742 742 SER HA H 742 4.525 4.525 4.096 0.429 25870 2834 1 5 . 1 1 742 742 SER CA C 742 58.148 58.148 59.419 -1.271 25870 2835 1 5 . 1 1 742 742 SER CB C 742 63.791 63.791 62.669 1.122 25870 2836 1 5 . 1 1 743 743 ILE N N 743 122.172 122.172 121.734 0.438 25870 2837 1 5 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.004 0.358 25870 2838 1 5 . 1 1 743 743 ILE CA C 743 60.421 60.421 62.307 -1.887 25870 2839 1 5 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.338 0.828 25870 2840 1 5 . 1 1 743 743 ILE H H 743 8.132 8.132 8.603 -0.471 25870 2841 1 5 . 1 1 744 744 SER N N 744 123.144 123.144 121.270 1.874 25870 2842 1 5 . 1 1 744 744 SER HA H 744 4.449 4.449 4.545 -0.096 25870 2843 1 5 . 1 1 744 744 SER CA C 744 57.463 57.463 56.974 0.489 25870 2844 1 5 . 1 1 744 744 SER CB C 744 65.219 65.219 64.860 0.359 25870 2845 1 5 . 1 1 744 744 SER H H 744 8.848 8.848 8.456 0.392 25870 2846 1 5 . 1 1 745 745 GLN N N 745 121.619 121.619 124.097 -2.478 25870 2847 1 5 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.109 -0.157 25870 2848 1 5 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.137 -0.369 25870 2849 1 5 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.712 -0.200 25870 2850 1 5 . 1 1 745 745 GLN H H 745 9.042 9.042 9.005 0.037 25870 2851 1 5 . 1 1 746 746 GLU N N 746 118.648 118.648 119.460 -0.812 25870 2852 1 5 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.164 -0.160 25870 2853 1 5 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.917 1.306 25870 2854 1 5 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.508 -0.654 25870 2855 1 5 . 1 1 746 746 GLU H H 746 8.721 8.721 7.858 0.863 25870 2856 1 5 . 1 1 747 747 GLN N N 747 120.463 120.463 119.963 0.500 25870 2857 1 5 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.137 -0.371 25870 2858 1 5 . 1 1 747 747 GLN CA C 747 58.306 58.306 59.070 -0.764 25870 2859 1 5 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.184 0.764 25870 2860 1 5 . 1 1 747 747 GLN H H 747 7.838 7.838 8.454 -0.616 25870 2861 1 5 . 1 1 748 748 MET N N 748 119.252 119.252 115.912 3.340 25870 2862 1 5 . 1 1 748 748 MET HA H 748 4.200 4.200 4.432 -0.232 25870 2863 1 5 . 1 1 748 748 MET CA C 748 58.096 58.096 59.230 -1.134 25870 2864 1 5 . 1 1 748 748 MET CB C 748 30.900 30.900 32.224 -1.324 25870 2865 1 5 . 1 1 748 748 MET H H 748 8.473 8.473 8.282 0.191 25870 2866 1 5 . 1 1 749 749 ASN N N 749 117.740 117.740 118.965 -1.225 25870 2867 1 5 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.486 -0.012 25870 2868 1 5 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.947 -0.152 25870 2869 1 5 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.644 -1.231 25870 2870 1 5 . 1 1 749 749 ASN H H 749 8.334 8.334 7.801 0.533 25870 2871 1 5 . 1 1 750 750 GLU N N 750 122.848 122.848 118.920 3.928 25870 2872 1 5 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.143 0.061 25870 2873 1 5 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.339 1.002 25870 2874 1 5 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.719 -0.535 25870 2875 1 5 . 1 1 750 750 GLU H H 750 7.838 7.838 8.305 -0.467 25870 2876 1 5 . 1 1 751 751 PHE N N 751 120.177 120.177 122.867 -2.690 25870 2877 1 5 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.387 0.634 25870 2878 1 5 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.477 -1.124 25870 2879 1 5 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.479 -1.682 25870 2880 1 5 . 1 1 751 751 PHE H H 751 8.785 8.785 8.702 0.083 25870 2881 1 5 . 1 1 752 752 ARG N N 752 120.528 120.528 120.340 0.188 25870 2882 1 5 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.961 0.199 25870 2883 1 5 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.288 1.416 25870 2884 1 5 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.635 1.333 25870 2885 1 5 . 1 1 752 752 ARG H H 752 9.016 9.016 8.108 0.908 25870 2886 1 5 . 1 1 753 753 ALA N N 753 121.112 121.112 122.387 -1.275 25870 2887 1 5 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.452 -0.207 25870 2888 1 5 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.453 0.878 25870 2889 1 5 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.846 -0.023 25870 2890 1 5 . 1 1 753 753 ALA H H 753 8.100 8.100 7.884 0.216 25870 2891 1 5 . 1 1 754 754 SER N N 754 115.589 115.589 115.039 0.550 25870 2892 1 5 . 1 1 754 754 SER HA H 754 4.452 4.452 4.247 0.205 25870 2893 1 5 . 1 1 754 754 SER CA C 754 62.675 62.675 59.752 2.923 25870 2894 1 5 . 1 1 754 754 SER CB C 754 63.359 63.359 62.629 0.730 25870 2895 1 5 . 1 1 754 754 SER H H 754 8.391 8.391 7.786 0.605 25870 2896 1 5 . 1 1 755 755 PHE N N 755 121.886 121.886 118.625 3.261 25870 2897 1 5 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.951 -0.309 25870 2898 1 5 . 1 1 755 755 PHE CA C 755 61.964 61.964 58.770 3.193 25870 2899 1 5 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.491 1.331 25870 2900 1 5 . 1 1 755 755 PHE H H 755 8.675 8.675 7.640 1.035 25870 2901 1 5 . 1 1 756 756 ASN N N 756 113.618 113.618 112.994 0.624 25870 2902 1 5 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.199 0.228 25870 2903 1 5 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.162 3.449 25870 2904 1 5 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.990 -1.152 25870 2905 1 5 . 1 1 756 756 ASN H H 756 8.593 8.593 7.710 0.883 25870 2906 1 5 . 1 1 757 757 HIS N N 757 119.679 119.679 121.269 -1.590 25870 2907 1 5 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.281 -0.202 25870 2908 1 5 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.399 0.945 25870 2909 1 5 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.192 -0.303 25870 2910 1 5 . 1 1 757 757 HIS H H 757 8.139 8.139 7.663 0.476 25870 2911 1 5 . 1 1 758 758 PHE N N 758 113.051 113.051 116.598 -3.547 25870 2912 1 5 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.384 -0.323 25870 2913 1 5 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.271 2.426 25870 2914 1 5 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.445 -1.710 25870 2915 1 5 . 1 1 758 758 PHE H H 758 7.585 7.585 7.492 0.093 25870 2916 1 5 . 1 1 759 759 ASP N N 759 120.916 120.916 121.184 -0.268 25870 2917 1 5 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.455 0.054 25870 2918 1 5 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.954 -2.783 25870 2919 1 5 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.514 -2.505 25870 2920 1 5 . 1 1 759 759 ASP H H 759 7.423 7.423 7.898 -0.475 25870 2921 1 5 . 1 1 760 760 ARG N N 760 124.819 124.819 127.552 -2.733 25870 2922 1 5 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.050 -0.282 25870 2923 1 5 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.770 -0.495 25870 2924 1 5 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.671 -0.422 25870 2925 1 5 . 1 1 760 760 ARG H H 760 7.781 7.781 8.320 -0.539 25870 2926 1 5 . 1 1 761 761 ASP N N 761 113.673 113.673 112.784 0.889 25870 2927 1 5 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.716 -0.233 25870 2928 1 5 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.284 -1.307 25870 2929 1 5 . 1 1 761 761 ASP CB C 761 39.522 39.522 41.193 -1.671 25870 2930 1 5 . 1 1 761 761 ASP H H 761 7.821 7.821 7.991 -0.170 25870 2931 1 5 . 1 1 762 762 HIS N N 762 114.966 114.966 116.913 -1.947 25870 2932 1 5 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.190 -0.029 25870 2933 1 5 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.731 -0.113 25870 2934 1 5 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.636 -2.256 25870 2935 1 5 . 1 1 762 762 HIS H H 762 7.744 7.744 7.969 -0.225 25870 2936 1 5 . 1 1 763 763 SER N N 763 115.077 115.077 113.402 1.675 25870 2937 1 5 . 1 1 763 763 SER HA H 763 4.336 4.336 4.355 -0.019 25870 2938 1 5 . 1 1 763 763 SER CA C 763 59.860 59.860 59.200 0.660 25870 2939 1 5 . 1 1 763 763 SER CB C 763 65.192 65.192 64.321 0.871 25870 2940 1 5 . 1 1 763 763 SER H H 763 8.726 8.726 7.979 0.747 25870 2941 1 5 . 1 1 764 764 GLY N N 764 116.915 116.915 110.301 6.614 25870 2942 1 5 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.658 -0.209 25870 2943 1 5 . 1 1 764 764 GLY H H 764 11.017 11.017 8.693 2.324 25870 2944 1 5 . 1 1 765 765 THR N N 765 107.334 107.334 110.704 -3.370 25870 2945 1 5 . 1 1 765 765 THR HA H 765 4.829 4.829 5.208 -0.379 25870 2946 1 5 . 1 1 765 765 THR CA C 765 58.759 58.759 60.801 -2.042 25870 2947 1 5 . 1 1 765 765 THR CB C 765 73.383 73.383 71.945 1.438 25870 2948 1 5 . 1 1 765 765 THR H H 765 7.693 7.693 8.056 -0.363 25870 2949 1 5 . 1 1 766 766 LEU N N 766 124.664 124.664 124.700 -0.036 25870 2950 1 5 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.834 0.066 25870 2951 1 5 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.730 -1.391 25870 2952 1 5 . 1 1 766 766 LEU CB C 766 42.339 42.339 43.097 -0.758 25870 2953 1 5 . 1 1 766 766 LEU H H 766 9.209 9.209 8.726 0.483 25870 2954 1 5 . 1 1 767 767 GLY N N 767 112.024 112.024 112.001 0.023 25870 2955 1 5 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.897 0.226 25870 2956 1 5 . 1 1 767 767 GLY H H 767 8.910 8.910 9.113 -0.203 25870 2957 1 5 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.556 -0.238 25870 2958 1 5 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.098 1.029 25870 2959 1 5 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.122 -0.093 25870 2960 1 5 . 1 1 769 769 GLU N N 769 115.246 115.246 117.158 -1.912 25870 2961 1 5 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.073 -0.102 25870 2962 1 5 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.794 0.827 25870 2963 1 5 . 1 1 769 769 GLU CB C 769 28.628 28.628 29.010 -0.382 25870 2964 1 5 . 1 1 769 769 GLU H H 769 8.622 8.622 8.978 -0.356 25870 2965 1 5 . 1 1 770 770 GLU N N 770 121.127 121.127 118.266 2.861 25870 2966 1 5 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.256 0.016 25870 2967 1 5 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.324 0.173 25870 2968 1 5 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.924 1.448 25870 2969 1 5 . 1 1 770 770 GLU H H 770 7.493 7.493 8.017 -0.524 25870 2970 1 5 . 1 1 771 771 PHE N N 771 117.688 117.688 122.145 -4.457 25870 2971 1 5 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.264 0.091 25870 2972 1 5 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.718 -2.093 25870 2973 1 5 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.453 -0.643 25870 2974 1 5 . 1 1 771 771 PHE H H 771 9.110 9.110 8.937 0.173 25870 2975 1 5 . 1 1 772 772 LYS N N 772 119.789 119.789 118.541 1.248 25870 2976 1 5 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.664 -0.351 25870 2977 1 5 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.269 2.403 25870 2978 1 5 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.829 1.150 25870 2979 1 5 . 1 1 772 772 LYS H H 772 8.594 8.594 8.011 0.583 25870 2980 1 5 . 1 1 773 773 ALA N N 773 118.461 118.461 120.655 -2.194 25870 2981 1 5 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.020 -0.139 25870 2982 1 5 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.731 1.282 25870 2983 1 5 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.860 -1.231 25870 2984 1 5 . 1 1 773 773 ALA H H 773 7.231 7.231 7.444 -0.213 25870 2985 1 5 . 1 1 774 774 CYS N N 774 120.913 120.913 119.154 1.759 25870 2986 1 5 . 1 1 774 774 CYS HA H 774 2.435 2.435 3.010 -0.575 25870 2987 1 5 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.825 -0.651 25870 2988 1 5 . 1 1 774 774 CYS CB C 774 26.215 26.215 26.990 -0.775 25870 2989 1 5 . 1 1 774 774 CYS H H 774 7.498 7.498 7.826 -0.328 25870 2990 1 5 . 1 1 775 775 LEU N N 775 119.201 119.201 118.699 0.502 25870 2991 1 5 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.525 0.241 25870 2992 1 5 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.313 1.619 25870 2993 1 5 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.046 -0.096 25870 2994 1 5 . 1 1 775 775 LEU H H 775 8.372 8.372 7.639 0.733 25870 2995 1 5 . 1 1 776 776 ILE N N 776 121.051 121.051 117.897 3.154 25870 2996 1 5 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.490 1.600 25870 2997 1 5 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.213 1.031 25870 2998 1 5 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.174 0.817 25870 2999 1 5 . 1 1 776 776 ILE H H 776 8.358 8.358 6.675 1.683 25870 3000 1 5 . 1 1 777 777 SER N N 777 119.109 119.109 114.453 4.656 25870 3001 1 5 . 1 1 777 777 SER HA H 777 4.291 4.291 4.188 0.103 25870 3002 1 5 . 1 1 777 777 SER CA C 777 61.725 61.725 60.209 1.516 25870 3003 1 5 . 1 1 777 777 SER CB C 777 62.995 62.995 62.742 0.253 25870 3004 1 5 . 1 1 777 777 SER H H 777 7.822 7.822 7.334 0.488 25870 3005 1 5 . 1 1 778 778 LEU N N 778 121.208 121.208 117.493 3.715 25870 3006 1 5 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.455 0.051 25870 3007 1 5 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.800 1.198 25870 3008 1 5 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.492 0.178 25870 3009 1 5 . 1 1 778 778 LEU H H 778 7.671 7.671 7.194 0.477 25870 3010 1 5 . 1 1 779 779 GLY N N 779 106.232 106.232 106.870 -0.638 25870 3011 1 5 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.214 0.073 25870 3012 1 5 . 1 1 779 779 GLY H H 779 7.897 7.897 7.188 0.709 25870 3013 1 5 . 1 1 780 780 TYR N N 780 120.772 120.772 117.381 3.391 25870 3014 1 5 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.575 -0.433 25870 3015 1 5 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.403 3.828 25870 3016 1 5 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.528 -0.187 25870 3017 1 5 . 1 1 780 780 TYR H H 780 8.072 8.072 7.341 0.731 25870 3018 1 5 . 1 1 781 781 ASP N N 781 124.304 124.304 117.631 6.673 25870 3019 1 5 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.663 0.002 25870 3020 1 5 . 1 1 781 781 ASP CA C 781 53.148 53.148 54.164 -1.016 25870 3021 1 5 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.718 -0.914 25870 3022 1 5 . 1 1 781 781 ASP H H 781 8.862 8.862 9.094 -0.232 25870 3023 1 5 . 1 1 782 782 ILE N N 782 122.271 122.271 113.159 9.112 25870 3024 1 5 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.351 -0.010 25870 3025 1 5 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.086 -0.094 25870 3026 1 5 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.368 -2.462 25870 3027 1 5 . 1 1 782 782 ILE H H 782 7.344 7.344 6.899 0.445 25870 3028 1 5 . 1 1 783 783 GLY N N 783 112.322 112.322 106.850 5.472 25870 3029 1 5 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.212 0.311 25870 3030 1 5 . 1 1 783 783 GLY H H 783 8.122 8.122 7.851 0.271 25870 3031 1 5 . 1 1 784 784 ASN N N 784 118.727 118.727 118.561 0.166 25870 3032 1 5 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.907 -0.025 25870 3033 1 5 . 1 1 784 784 ASN CA C 784 52.098 52.098 52.988 -0.890 25870 3034 1 5 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.657 -1.232 25870 3035 1 5 . 1 1 784 784 ASN H H 784 8.452 8.452 8.450 0.002 25870 3036 1 5 . 1 1 785 785 ASP N N 785 119.826 119.826 120.679 -0.853 25870 3037 1 5 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.762 0.016 25870 3038 1 5 . 1 1 785 785 ASP CA C 785 52.164 52.164 52.300 -0.136 25870 3039 1 5 . 1 1 785 785 ASP CB C 785 39.657 39.657 40.527 -0.870 25870 3040 1 5 . 1 1 785 785 ASP H H 785 8.145 8.145 7.789 0.356 25870 3041 1 5 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.413 -0.142 25870 3042 1 5 . 1 1 786 786 PRO CA C 786 66.265 66.265 64.674 1.591 25870 3043 1 5 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.039 -0.028 25870 3044 1 5 . 1 1 787 787 GLN N N 787 118.097 118.097 116.989 1.108 25870 3045 1 5 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.322 -0.181 25870 3046 1 5 . 1 1 787 787 GLN CA C 787 59.115 59.115 57.611 1.504 25870 3047 1 5 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.711 -0.979 25870 3048 1 5 . 1 1 787 787 GLN H H 787 8.409 8.409 8.533 -0.124 25870 3049 1 5 . 1 1 788 788 GLY N N 788 113.421 113.421 108.494 4.927 25870 3050 1 5 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.929 0.388 25870 3051 1 5 . 1 1 788 788 GLY H H 788 8.644 8.644 8.860 -0.216 25870 3052 1 5 . 1 1 789 789 GLU N N 789 121.223 121.223 121.275 -0.052 25870 3053 1 5 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.261 -0.113 25870 3054 1 5 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.259 0.085 25870 3055 1 5 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.332 0.103 25870 3056 1 5 . 1 1 789 789 GLU H H 789 8.514 8.514 8.206 0.308 25870 3057 1 5 . 1 1 790 790 ALA N N 790 122.879 122.879 122.514 0.365 25870 3058 1 5 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.214 0.033 25870 3059 1 5 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.096 -0.188 25870 3060 1 5 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.452 -0.672 25870 3061 1 5 . 1 1 790 790 ALA H H 790 8.024 8.024 7.620 0.404 25870 3062 1 5 . 1 1 791 791 GLU N N 791 122.622 122.622 119.171 3.451 25870 3063 1 5 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.108 0.579 25870 3064 1 5 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.556 -0.422 25870 3065 1 5 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.471 -0.410 25870 3066 1 5 . 1 1 791 791 GLU H H 791 8.280 8.280 7.948 0.332 25870 3067 1 5 . 1 1 792 792 PHE N N 792 119.949 119.949 121.223 -1.274 25870 3068 1 5 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.222 -0.184 25870 3069 1 5 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.140 0.672 25870 3070 1 5 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.520 0.078 25870 3071 1 5 . 1 1 792 792 PHE H H 792 8.722 8.722 8.859 -0.137 25870 3072 1 5 . 1 1 793 793 ALA N N 793 119.652 119.652 121.399 -1.747 25870 3073 1 5 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.290 0.564 25870 3074 1 5 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.425 0.477 25870 3075 1 5 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.853 -0.225 25870 3076 1 5 . 1 1 793 793 ALA H H 793 8.163 8.163 7.662 0.501 25870 3077 1 5 . 1 1 794 794 ARG N N 794 121.092 121.092 119.398 1.694 25870 3078 1 5 . 1 1 794 794 ARG HA H 794 3.910 3.910 3.993 -0.083 25870 3079 1 5 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.118 0.353 25870 3080 1 5 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.194 -0.102 25870 3081 1 5 . 1 1 794 794 ARG H H 794 8.034 8.034 7.560 0.474 25870 3082 1 5 . 1 1 795 795 ILE N N 795 121.394 121.394 120.553 0.841 25870 3083 1 5 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.716 -0.328 25870 3084 1 5 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.399 0.449 25870 3085 1 5 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.296 -0.087 25870 3086 1 5 . 1 1 795 795 ILE H H 795 8.049 8.049 8.068 -0.019 25870 3087 1 5 . 1 1 796 796 MET N N 796 119.012 119.012 118.728 0.284 25870 3088 1 5 . 1 1 796 796 MET HA H 796 4.155 4.155 3.971 0.184 25870 3089 1 5 . 1 1 796 796 MET CA C 796 56.470 56.470 58.025 -1.555 25870 3090 1 5 . 1 1 796 796 MET CB C 796 29.892 29.892 31.417 -1.525 25870 3091 1 5 . 1 1 796 796 MET H H 796 8.589 8.589 8.252 0.337 25870 3092 1 5 . 1 1 797 797 SER N N 797 114.132 114.132 112.770 1.362 25870 3093 1 5 . 1 1 797 797 SER HA H 797 4.097 4.097 4.225 -0.128 25870 3094 1 5 . 1 1 797 797 SER CA C 797 61.231 61.231 60.220 1.011 25870 3095 1 5 . 1 1 797 797 SER CB C 797 62.895 62.895 63.501 -0.606 25870 3096 1 5 . 1 1 797 797 SER H H 797 7.732 7.732 7.517 0.215 25870 3097 1 5 . 1 1 798 798 ILE N N 798 120.873 120.873 116.411 4.462 25870 3098 1 5 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.175 -0.357 25870 3099 1 5 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.118 0.757 25870 3100 1 5 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.663 0.200 25870 3101 1 5 . 1 1 798 798 ILE H H 798 7.352 7.352 7.756 -0.404 25870 3102 1 5 . 1 1 799 799 VAL N N 799 110.552 110.552 113.013 -2.461 25870 3103 1 5 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.071 0.172 25870 3104 1 5 . 1 1 799 799 VAL CA C 799 62.616 62.616 60.716 1.900 25870 3105 1 5 . 1 1 799 799 VAL CB C 799 32.416 32.416 30.742 1.674 25870 3106 1 5 . 1 1 799 799 VAL H H 799 7.648 7.648 7.868 -0.220 25870 3107 1 5 . 1 1 800 800 ASP N N 800 119.435 119.435 120.220 -0.785 25870 3108 1 5 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.105 0.120 25870 3109 1 5 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.048 1.667 25870 3110 1 5 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.426 -0.340 25870 3111 1 5 . 1 1 800 800 ASP H H 800 8.074 8.074 7.496 0.578 25870 3112 1 5 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.395 -0.064 25870 3113 1 5 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.911 0.908 25870 3114 1 5 . 1 1 801 801 PRO CB C 801 31.689 31.689 32.019 -0.330 25870 3115 1 5 . 1 1 802 802 ASN N N 802 115.164 115.164 116.154 -0.990 25870 3116 1 5 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.718 0.042 25870 3117 1 5 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.704 0.294 25870 3118 1 5 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.698 -1.746 25870 3119 1 5 . 1 1 802 802 ASN H H 802 8.949 8.949 7.626 1.323 25870 3120 1 5 . 1 1 803 803 ARG N N 803 117.446 117.446 116.201 1.245 25870 3121 1 5 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.249 -0.419 25870 3122 1 5 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.928 -0.040 25870 3123 1 5 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.192 -0.838 25870 3124 1 5 . 1 1 803 803 ARG H H 803 7.958 7.958 7.923 0.035 25870 3125 1 5 . 1 1 804 804 LEU N N 804 123.307 123.307 116.792 6.515 25870 3126 1 5 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.725 -0.569 25870 3127 1 5 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.319 2.054 25870 3128 1 5 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.816 1.115 25870 3129 1 5 . 1 1 804 804 LEU H H 804 10.591 10.591 8.187 2.404 25870 3130 1 5 . 1 1 805 805 GLY N N 805 110.516 110.516 107.286 3.230 25870 3131 1 5 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.691 -0.747 25870 3132 1 5 . 1 1 805 805 GLY H H 805 11.001 11.001 8.237 2.764 25870 3133 1 5 . 1 1 806 806 VAL N N 806 109.840 109.840 114.627 -4.787 25870 3134 1 5 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.372 0.199 25870 3135 1 5 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.350 -0.784 25870 3136 1 5 . 1 1 806 806 VAL CB C 806 36.853 36.853 35.049 1.804 25870 3137 1 5 . 1 1 806 806 VAL H H 806 6.831 6.831 7.027 -0.196 25870 3138 1 5 . 1 1 807 807 VAL N N 807 122.184 122.184 122.349 -0.165 25870 3139 1 5 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.409 -0.242 25870 3140 1 5 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.758 0.887 25870 3141 1 5 . 1 1 807 807 VAL CB C 807 32.383 32.383 32.135 0.248 25870 3142 1 5 . 1 1 807 807 VAL H H 807 9.007 9.007 8.813 0.194 25870 3143 1 5 . 1 1 808 808 THR N N 808 117.391 117.391 117.479 -0.088 25870 3144 1 5 . 1 1 808 808 THR HA H 808 4.593 4.593 4.612 -0.019 25870 3145 1 5 . 1 1 808 808 THR CA C 808 60.615 60.615 58.838 1.777 25870 3146 1 5 . 1 1 808 808 THR CB C 808 70.695 70.695 71.395 -0.700 25870 3147 1 5 . 1 1 808 808 THR H H 808 7.925 7.925 7.716 0.209 25870 3148 1 5 . 1 1 809 809 PHE N N 809 122.236 122.236 118.517 3.719 25870 3149 1 5 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.492 -0.852 25870 3150 1 5 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.614 0.135 25870 3151 1 5 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.550 0.627 25870 3152 1 5 . 1 1 809 809 PHE H H 809 9.349 9.349 8.071 1.278 25870 3153 1 5 . 1 1 810 810 GLN N N 810 116.788 116.788 117.303 -0.515 25870 3154 1 5 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.200 -0.602 25870 3155 1 5 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.847 0.735 25870 3156 1 5 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.487 -0.288 25870 3157 1 5 . 1 1 810 810 GLN H H 810 8.572 8.572 7.942 0.630 25870 3158 1 5 . 1 1 811 811 ALA N N 811 121.208 121.208 122.127 -0.919 25870 3159 1 5 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.190 -0.071 25870 3160 1 5 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.810 1.101 25870 3161 1 5 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.826 0.439 25870 3162 1 5 . 1 1 811 811 ALA H H 811 7.667 7.667 7.685 -0.018 25870 3163 1 5 . 1 1 812 812 PHE N N 812 119.805 119.805 118.887 0.918 25870 3164 1 5 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.381 -0.401 25870 3165 1 5 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.113 -0.373 25870 3166 1 5 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.743 0.927 25870 3167 1 5 . 1 1 812 812 PHE H H 812 8.400 8.400 8.359 0.041 25870 3168 1 5 . 1 1 813 813 ILE N N 813 118.098 118.098 118.546 -0.448 25870 3169 1 5 . 1 1 813 813 ILE HA H 813 3.146 3.146 4.004 -0.858 25870 3170 1 5 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.371 0.928 25870 3171 1 5 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.381 -0.179 25870 3172 1 5 . 1 1 813 813 ILE H H 813 8.364 8.364 7.849 0.515 25870 3173 1 5 . 1 1 814 814 ASP N N 814 123.528 123.528 120.611 2.917 25870 3174 1 5 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.359 -0.163 25870 3175 1 5 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.523 0.157 25870 3176 1 5 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.805 -0.569 25870 3177 1 5 . 1 1 814 814 ASP H H 814 8.221 8.221 7.855 0.366 25870 3178 1 5 . 1 1 815 815 PHE N N 815 120.584 120.584 119.321 1.263 25870 3179 1 5 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.428 -0.299 25870 3180 1 5 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.717 0.367 25870 3181 1 5 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.607 0.091 25870 3182 1 5 . 1 1 815 815 PHE H H 815 7.887 7.887 7.883 0.004 25870 3183 1 5 . 1 1 816 816 MET N N 816 116.960 116.960 118.928 -1.968 25870 3184 1 5 . 1 1 816 816 MET HA H 816 3.782 3.782 4.049 -0.267 25870 3185 1 5 . 1 1 816 816 MET CA C 816 55.662 55.662 57.205 -1.543 25870 3186 1 5 . 1 1 816 816 MET CB C 816 30.033 30.033 31.632 -1.599 25870 3187 1 5 . 1 1 816 816 MET H H 816 8.372 8.372 8.133 0.239 25870 3188 1 5 . 1 1 817 817 SER N N 817 114.277 114.277 112.171 2.106 25870 3189 1 5 . 1 1 817 817 SER HA H 817 4.194 4.194 4.337 -0.143 25870 3190 1 5 . 1 1 817 817 SER CA C 817 60.521 60.521 59.911 0.610 25870 3191 1 5 . 1 1 817 817 SER CB C 817 63.185 63.185 63.406 -0.221 25870 3192 1 5 . 1 1 817 817 SER H H 817 8.074 8.074 8.364 -0.290 25870 3193 1 5 . 1 1 818 818 ARG N N 818 121.493 121.493 121.165 0.328 25870 3194 1 5 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.120 0.004 25870 3195 1 5 . 1 1 818 818 ARG CA C 818 57.684 57.684 56.842 0.842 25870 3196 1 5 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.062 1.253 25870 3197 1 5 . 1 1 818 818 ARG H H 818 7.288 7.288 8.102 -0.814 25870 3198 1 5 . 1 1 819 819 GLU N N 819 119.737 119.737 118.149 1.588 25870 3199 1 5 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.138 -0.037 25870 3200 1 5 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.557 -1.491 25870 3201 1 5 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.133 1.358 25870 3202 1 5 . 1 1 819 819 GLU H H 819 8.045 8.045 7.595 0.450 25870 3203 1 5 . 1 1 820 820 THR N N 820 112.128 112.128 110.007 2.121 25870 3204 1 5 . 1 1 820 820 THR HA H 820 4.280 4.280 4.012 0.268 25870 3205 1 5 . 1 1 820 820 THR CA C 820 62.055 62.055 62.408 -0.353 25870 3206 1 5 . 1 1 820 820 THR CB C 820 69.828 69.828 69.050 0.778 25870 3207 1 5 . 1 1 820 820 THR H H 820 7.760 7.760 7.354 0.406 25870 3208 1 5 . 1 1 821 821 ALA N N 821 126.098 126.098 124.955 1.143 25870 3209 1 5 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.489 -0.205 25870 3210 1 5 . 1 1 821 821 ALA CA C 821 52.726 52.726 51.149 1.577 25870 3211 1 5 . 1 1 821 821 ALA CB C 821 19.304 19.304 20.732 -1.428 25870 3212 1 5 . 1 1 821 821 ALA H H 821 7.957 7.957 7.391 0.566 25870 3213 1 5 . 1 1 822 822 ASP N N 822 119.904 119.904 121.954 -2.050 25870 3214 1 5 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.581 0.032 25870 3215 1 5 . 1 1 822 822 ASP CA C 822 54.335 54.335 55.355 -1.020 25870 3216 1 5 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.419 -0.387 25870 3217 1 5 . 1 1 822 822 ASP H H 822 8.352 8.352 8.409 -0.057 25870 3218 1 5 . 1 1 823 823 THR N N 823 114.142 114.142 116.839 -2.697 25870 3219 1 5 . 1 1 823 823 THR HA H 823 4.278 4.278 4.551 -0.273 25870 3220 1 5 . 1 1 823 823 THR CA C 823 62.117 62.117 60.772 1.345 25870 3221 1 5 . 1 1 823 823 THR CB C 823 69.584 69.584 71.438 -1.854 25870 3222 1 5 . 1 1 823 823 THR H H 823 8.079 8.079 8.073 0.006 25870 3223 1 5 . 1 1 824 824 ASP N N 824 123.261 123.261 119.995 3.266 25870 3224 1 5 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.608 0.049 25870 3225 1 5 . 1 1 824 824 ASP CA C 824 54.786 54.786 56.121 -1.335 25870 3226 1 5 . 1 1 824 824 ASP CB C 824 41.085 41.085 40.804 0.281 25870 3227 1 5 . 1 1 824 824 ASP H H 824 8.431 8.431 8.778 -0.347 25870 3228 1 5 . 1 1 825 825 THR N N 825 114.932 114.932 115.362 -0.430 25870 3229 1 5 . 1 1 825 825 THR HA H 825 4.161 4.161 4.176 -0.015 25870 3230 1 5 . 1 1 825 825 THR CA C 825 63.109 63.109 65.055 -1.946 25870 3231 1 5 . 1 1 825 825 THR CB C 825 69.455 69.455 68.001 1.454 25870 3232 1 5 . 1 1 825 825 THR H H 825 8.155 8.155 8.603 -0.448 25870 3233 1 5 . 1 1 826 826 ALA N N 826 124.961 124.961 124.683 0.278 25870 3234 1 5 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.134 0.026 25870 3235 1 5 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.182 0.210 25870 3236 1 5 . 1 1 826 826 ALA CB C 826 18.610 18.610 17.984 0.626 25870 3237 1 5 . 1 1 826 826 ALA H H 826 8.379 8.379 8.168 0.211 25870 3238 1 5 . 1 1 827 827 ASP N N 827 117.765 117.765 118.278 -0.513 25870 3239 1 5 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.308 0.117 25870 3240 1 5 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.411 -1.360 25870 3241 1 5 . 1 1 827 827 ASP CB C 827 40.559 40.559 40.907 -0.348 25870 3242 1 5 . 1 1 827 827 ASP H H 827 8.250 8.250 7.875 0.375 25870 3243 1 5 . 1 1 828 828 GLN N N 828 120.523 120.523 118.510 2.013 25870 3244 1 5 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.059 0.032 25870 3245 1 5 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.277 -0.463 25870 3246 1 5 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.600 -0.051 25870 3247 1 5 . 1 1 828 828 GLN H H 828 8.076 8.076 7.598 0.478 25870 3248 1 5 . 1 1 829 829 VAL N N 829 120.970 120.970 119.816 1.154 25870 3249 1 5 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.890 -0.365 25870 3250 1 5 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.585 0.608 25870 3251 1 5 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.720 -0.179 25870 3252 1 5 . 1 1 829 829 VAL H H 829 8.051 8.051 7.303 0.748 25870 3253 1 5 . 1 1 830 830 MET N N 830 119.572 119.572 120.204 -0.632 25870 3254 1 5 . 1 1 830 830 MET HA H 830 4.006 4.006 4.130 -0.124 25870 3255 1 5 . 1 1 830 830 MET CA C 830 57.977 57.977 57.877 0.100 25870 3256 1 5 . 1 1 830 830 MET CB C 830 31.995 31.995 31.826 0.169 25870 3257 1 5 . 1 1 830 830 MET H H 830 8.110 8.110 8.580 -0.470 25870 3258 1 5 . 1 1 831 831 ALA N N 831 121.059 121.059 121.260 -0.201 25870 3259 1 5 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.376 0.669 25870 3260 1 5 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.044 0.457 25870 3261 1 5 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.593 0.474 25870 3262 1 5 . 1 1 831 831 ALA H H 831 7.836 7.836 7.634 0.202 25870 3263 1 5 . 1 1 832 832 SER N N 832 114.256 114.256 115.668 -1.412 25870 3264 1 5 . 1 1 832 832 SER HA H 832 4.141 4.141 4.000 0.141 25870 3265 1 5 . 1 1 832 832 SER CA C 832 60.845 60.845 61.105 -0.260 25870 3266 1 5 . 1 1 832 832 SER CB C 832 62.613 62.613 62.876 -0.263 25870 3267 1 5 . 1 1 832 832 SER H H 832 7.714 7.714 7.642 0.072 25870 3268 1 5 . 1 1 833 833 PHE N N 833 121.847 121.847 119.362 2.485 25870 3269 1 5 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.253 -0.430 25870 3270 1 5 . 1 1 833 833 PHE CA C 833 58.627 58.627 57.818 0.809 25870 3271 1 5 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.465 0.662 25870 3272 1 5 . 1 1 833 833 PHE H H 833 7.740 7.740 7.531 0.209 25870 3273 1 5 . 1 1 834 834 LYS N N 834 118.759 118.759 120.763 -2.004 25870 3274 1 5 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.862 -0.273 25870 3275 1 5 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.272 1.112 25870 3276 1 5 . 1 1 834 834 LYS CB C 834 32.143 32.143 32.200 -0.057 25870 3277 1 5 . 1 1 834 834 LYS H H 834 7.843 7.843 7.789 0.054 25870 3278 1 5 . 1 1 835 835 ILE N N 835 118.537 118.537 120.441 -1.904 25870 3279 1 5 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.705 0.031 25870 3280 1 5 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.940 -1.226 25870 3281 1 5 . 1 1 835 835 ILE CB C 835 37.825 37.825 38.065 -0.240 25870 3282 1 5 . 1 1 835 835 ILE H H 835 7.315 7.315 7.168 0.147 25870 3283 1 5 . 1 1 836 836 LEU N N 836 121.201 121.201 119.030 2.171 25870 3284 1 5 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.801 0.154 25870 3285 1 5 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.395 -0.321 25870 3286 1 5 . 1 1 836 836 LEU CB C 836 42.415 42.415 41.764 0.651 25870 3287 1 5 . 1 1 836 836 LEU H H 836 7.625 7.625 8.249 -0.624 25870 3288 1 5 . 1 1 837 837 ALA N N 837 119.184 119.184 118.394 0.790 25870 3289 1 5 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.960 -0.065 25870 3290 1 5 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.806 -0.505 25870 3291 1 5 . 1 1 837 837 ALA CB C 837 19.338 19.338 18.932 0.406 25870 3292 1 5 . 1 1 837 837 ALA H H 837 8.099 8.099 7.357 0.742 25870 3293 1 5 . 1 1 838 838 GLY N N 838 107.030 107.030 107.237 -0.207 25870 3294 1 5 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.594 0.324 25870 3295 1 5 . 1 1 838 838 GLY H H 838 7.676 7.676 8.176 -0.500 25870 3296 1 5 . 1 1 839 839 ASP N N 839 122.291 122.291 124.407 -2.116 25870 3297 1 5 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.905 -0.428 25870 3298 1 5 . 1 1 839 839 ASP CA C 839 54.511 54.511 52.905 1.606 25870 3299 1 5 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.930 -1.749 25870 3300 1 5 . 1 1 839 839 ASP H H 839 8.704 8.704 8.103 0.601 25870 3301 1 5 . 1 1 840 840 LYS N N 840 117.582 117.582 119.901 -2.319 25870 3302 1 5 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.355 -0.054 25870 3303 1 5 . 1 1 840 840 LYS CA C 840 55.780 55.780 56.185 -0.405 25870 3304 1 5 . 1 1 840 840 LYS CB C 840 33.710 33.710 32.909 0.801 25870 3305 1 5 . 1 1 840 840 LYS H H 840 7.583 7.583 7.476 0.107 25870 3306 1 5 . 1 1 841 841 ASN N N 841 116.678 116.678 116.592 0.086 25870 3307 1 5 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.510 0.101 25870 3308 1 5 . 1 1 841 841 ASN CA C 841 53.466 53.466 54.349 -0.882 25870 3309 1 5 . 1 1 841 841 ASN CB C 841 39.155 39.155 38.902 0.253 25870 3310 1 5 . 1 1 841 841 ASN H H 841 8.693 8.693 8.991 -0.298 25870 3311 1 5 . 1 1 842 842 TYR N N 842 112.236 112.236 113.525 -1.289 25870 3312 1 5 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.828 0.158 25870 3313 1 5 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.116 -1.198 25870 3314 1 5 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.487 0.108 25870 3315 1 5 . 1 1 842 842 TYR H H 842 6.637 6.637 7.277 -0.640 25870 3316 1 5 . 1 1 843 843 ILE N N 843 115.475 115.475 122.222 -6.747 25870 3317 1 5 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.583 0.209 25870 3318 1 5 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.243 0.714 25870 3319 1 5 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.684 0.324 25870 3320 1 5 . 1 1 843 843 ILE H H 843 8.630 8.630 9.263 -0.633 25870 3321 1 5 . 1 1 844 844 THR N N 844 117.169 117.169 118.746 -1.577 25870 3322 1 5 . 1 1 844 844 THR HA H 844 5.370 5.370 5.235 0.135 25870 3323 1 5 . 1 1 844 844 THR CA C 844 60.177 60.177 60.712 -0.535 25870 3324 1 5 . 1 1 844 844 THR CB C 844 71.088 71.088 70.535 0.553 25870 3325 1 5 . 1 1 844 844 THR H H 844 9.330 9.330 9.293 0.037 25870 3326 1 5 . 1 1 845 845 MET N N 845 119.860 119.860 120.247 -0.387 25870 3327 1 5 . 1 1 845 845 MET HA H 845 3.824 3.824 4.034 -0.210 25870 3328 1 5 . 1 1 845 845 MET CA C 845 60.321 60.321 60.367 -0.046 25870 3329 1 5 . 1 1 845 845 MET CB C 845 33.030 33.030 32.347 0.683 25870 3330 1 5 . 1 1 845 845 MET H H 845 8.556 8.556 8.750 -0.194 25870 3331 1 5 . 1 1 846 846 ASP N N 846 116.363 116.363 117.446 -1.083 25870 3332 1 5 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.479 -0.199 25870 3333 1 5 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.519 0.885 25870 3334 1 5 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.279 0.305 25870 3335 1 5 . 1 1 846 846 ASP H H 846 8.377 8.377 8.598 -0.221 25870 3336 1 5 . 1 1 847 847 GLU N N 847 120.577 120.577 118.818 1.759 25870 3337 1 5 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.058 -0.204 25870 3338 1 5 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.926 0.731 25870 3339 1 5 . 1 1 847 847 GLU CB C 847 29.660 29.660 29.916 -0.257 25870 3340 1 5 . 1 1 847 847 GLU H H 847 7.855 7.855 7.715 0.140 25870 3341 1 5 . 1 1 848 848 LEU N N 848 118.714 118.714 119.175 -0.461 25870 3342 1 5 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.096 -0.274 25870 3343 1 5 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.235 1.490 25870 3344 1 5 . 1 1 848 848 LEU CB C 848 42.457 42.457 42.061 0.396 25870 3345 1 5 . 1 1 848 848 LEU H H 848 7.849 7.849 7.481 0.368 25870 3346 1 5 . 1 1 849 849 ARG N N 849 113.972 113.972 115.082 -1.110 25870 3347 1 5 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.496 -0.572 25870 3348 1 5 . 1 1 849 849 ARG CA C 849 58.595 58.595 56.954 1.641 25870 3349 1 5 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.133 0.968 25870 3350 1 5 . 1 1 849 849 ARG H H 849 8.053 8.053 7.771 0.282 25870 3351 1 5 . 1 1 850 850 ARG N N 850 118.178 118.178 118.447 -0.269 25870 3352 1 5 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.425 -0.232 25870 3353 1 5 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.556 0.688 25870 3354 1 5 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.777 -0.657 25870 3355 1 5 . 1 1 850 850 ARG H H 850 7.743 7.743 7.948 -0.205 25870 3356 1 5 . 1 1 851 851 GLU N N 851 115.518 115.518 118.377 -2.859 25870 3357 1 5 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.382 -0.032 25870 3358 1 5 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.196 -0.309 25870 3359 1 5 . 1 1 851 851 GLU CB C 851 31.590 31.590 31.532 0.058 25870 3360 1 5 . 1 1 851 851 GLU H H 851 7.596 7.596 7.790 -0.194 25870 3361 1 5 . 1 1 852 852 LEU N N 852 119.148 119.148 121.216 -2.068 25870 3362 1 5 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.293 -0.399 25870 3363 1 5 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.470 0.704 25870 3364 1 5 . 1 1 852 852 LEU CB C 852 42.469 42.469 42.232 0.237 25870 3365 1 5 . 1 1 852 852 LEU H H 852 7.890 7.890 7.983 -0.093 25870 3366 1 5 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.497 -0.150 25870 3367 1 5 . 1 1 853 853 PRO CA C 853 65.119 65.119 64.100 1.019 25870 3368 1 5 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.194 1.437 25870 3369 1 5 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.537 -0.267 25870 3370 1 5 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.878 4.458 25870 3371 1 5 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.252 -0.996 25870 3372 1 5 . 1 1 855 855 ASP N N 855 114.865 114.865 119.107 -4.242 25870 3373 1 5 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.422 -0.073 25870 3374 1 5 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.784 -0.871 25870 3375 1 5 . 1 1 855 855 ASP CB C 855 39.244 39.244 41.013 -1.768 25870 3376 1 5 . 1 1 855 855 ASP H H 855 8.801 8.801 8.388 0.413 25870 3377 1 5 . 1 1 856 856 GLN N N 856 121.465 121.465 118.638 2.827 25870 3378 1 5 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.246 -0.047 25870 3379 1 5 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.520 -1.203 25870 3380 1 5 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.216 1.031 25870 3381 1 5 . 1 1 856 856 GLN H H 856 7.472 7.472 8.615 -1.143 25870 3382 1 5 . 1 1 857 857 ALA N N 857 122.805 122.805 122.381 0.424 25870 3383 1 5 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.899 -0.100 25870 3384 1 5 . 1 1 857 857 ALA CA C 857 56.303 56.303 56.289 0.014 25870 3385 1 5 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.294 -0.350 25870 3386 1 5 . 1 1 857 857 ALA H H 857 8.882 8.882 8.173 0.709 25870 3387 1 5 . 1 1 858 858 GLU N N 858 114.094 114.094 119.194 -5.100 25870 3388 1 5 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.024 -0.000 25870 3389 1 5 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.892 -0.210 25870 3390 1 5 . 1 1 858 858 GLU CB C 858 28.639 28.639 28.955 -0.316 25870 3391 1 5 . 1 1 858 858 GLU H H 858 8.155 8.155 7.923 0.232 25870 3392 1 5 . 1 1 859 859 TYR N N 859 120.665 120.665 122.035 -1.370 25870 3393 1 5 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.196 -0.112 25870 3394 1 5 . 1 1 859 859 TYR CA C 859 61.006 61.006 60.951 0.055 25870 3395 1 5 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.179 0.508 25870 3396 1 5 . 1 1 859 859 TYR H H 859 7.708 7.708 8.597 -0.889 25870 3397 1 5 . 1 1 860 860 CYS N N 860 115.812 115.812 117.191 -1.379 25870 3398 1 5 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.376 0.782 25870 3399 1 5 . 1 1 860 860 CYS CA C 860 64.254 64.254 64.084 0.170 25870 3400 1 5 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.997 0.308 25870 3401 1 5 . 1 1 860 860 CYS H H 860 8.113 8.113 7.502 0.611 25870 3402 1 5 . 1 1 861 861 ILE N N 861 120.078 120.078 120.032 0.046 25870 3403 1 5 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.706 -0.367 25870 3404 1 5 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.263 0.380 25870 3405 1 5 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.843 0.871 25870 3406 1 5 . 1 1 861 861 ILE H H 861 8.453 8.453 8.094 0.359 25870 3407 1 5 . 1 1 862 862 ALA N N 862 116.691 116.691 122.538 -5.847 25870 3408 1 5 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.053 0.156 25870 3409 1 5 . 1 1 862 862 ALA CA C 862 53.222 53.222 55.036 -1.814 25870 3410 1 5 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.930 0.072 25870 3411 1 5 . 1 1 862 862 ALA H H 862 7.307 7.307 8.291 -0.984 25870 3412 1 5 . 1 1 863 863 ARG N N 863 117.226 117.226 116.368 0.858 25870 3413 1 5 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.381 -0.107 25870 3414 1 5 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.462 -0.411 25870 3415 1 5 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.511 0.878 25870 3416 1 5 . 1 1 863 863 ARG H H 863 7.358 7.358 7.719 -0.361 25870 3417 1 5 . 1 1 864 864 MET N N 864 117.583 117.583 118.252 -0.669 25870 3418 1 5 . 1 1 864 864 MET HA H 864 4.561 4.561 4.368 0.193 25870 3419 1 5 . 1 1 864 864 MET CA C 864 54.927 54.927 56.221 -1.294 25870 3420 1 5 . 1 1 864 864 MET CB C 864 37.418 37.418 33.946 3.472 25870 3421 1 5 . 1 1 864 864 MET H H 864 7.153 7.153 7.332 -0.179 25870 3422 1 5 . 1 1 865 865 ALA N N 865 124.643 124.643 125.714 -1.071 25870 3423 1 5 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.641 -0.775 25870 3424 1 5 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.673 -0.479 25870 3425 1 5 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.635 0.012 25870 3426 1 5 . 1 1 865 865 ALA H H 865 8.557 8.557 8.191 0.366 25870 3427 1 5 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.551 -0.055 25870 3428 1 5 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.806 -0.082 25870 3429 1 5 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.425 1.555 25870 3430 1 5 . 1 1 867 867 TYR N N 867 122.461 122.461 126.494 -4.033 25870 3431 1 5 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.571 0.157 25870 3432 1 5 . 1 1 867 867 TYR CA C 867 57.096 57.096 56.760 0.336 25870 3433 1 5 . 1 1 867 867 TYR CB C 867 39.175 39.175 38.111 1.064 25870 3434 1 5 . 1 1 867 867 TYR H H 867 8.128 8.128 8.101 0.027 25870 3435 1 5 . 1 1 868 868 THR HA H 868 4.351 4.351 4.570 -0.219 25870 3436 1 5 . 1 1 868 868 THR CA C 868 60.271 60.271 59.819 0.452 25870 3437 1 5 . 1 1 868 868 THR CB C 868 68.737 68.737 71.570 -2.833 25870 3438 1 5 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.401 -0.487 25870 3439 1 5 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.476 -0.147 25870 3440 1 5 . 1 1 870 870 PRO CA C 870 64.697 64.697 63.984 0.713 25870 3441 1 5 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.194 -0.615 25870 3442 1 5 . 1 1 871 871 ASP N N 871 116.207 116.207 117.068 -0.861 25870 3443 1 5 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.641 -0.037 25870 3444 1 5 . 1 1 871 871 ASP CA C 871 52.749 52.749 53.974 -1.225 25870 3445 1 5 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.213 -1.284 25870 3446 1 5 . 1 1 871 871 ASP H H 871 9.267 9.267 8.219 1.048 25870 3447 1 5 . 1 1 872 872 SER N N 872 112.349 112.349 115.252 -2.903 25870 3448 1 5 . 1 1 872 872 SER HA H 872 3.497 3.497 4.541 -1.044 25870 3449 1 5 . 1 1 872 872 SER CA C 872 59.065 59.065 57.765 1.300 25870 3450 1 5 . 1 1 872 872 SER CB C 872 63.125 63.125 64.668 -1.543 25870 3451 1 5 . 1 1 872 872 SER H H 872 7.487 7.487 7.277 0.210 25870 3452 1 5 . 1 1 873 873 VAL N N 873 113.567 113.567 113.284 0.283 25870 3453 1 5 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.573 0.156 25870 3454 1 5 . 1 1 873 873 VAL CA C 873 58.044 58.044 58.165 -0.121 25870 3455 1 5 . 1 1 873 873 VAL CB C 873 32.911 32.911 32.425 0.486 25870 3456 1 5 . 1 1 873 873 VAL H H 873 6.411 6.411 8.140 -1.729 25870 3457 1 5 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.455 -0.159 25870 3458 1 5 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.910 0.425 25870 3459 1 5 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.993 -0.478 25870 3460 1 5 . 1 1 875 875 GLY N N 875 112.118 112.118 107.284 4.834 25870 3461 1 5 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.501 1.056 25870 3462 1 5 . 1 1 875 875 GLY H H 875 8.800 8.800 8.120 0.680 25870 3463 1 5 . 1 1 876 876 ALA N N 876 120.262 120.262 124.084 -3.822 25870 3464 1 5 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.638 -1.538 25870 3465 1 5 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.307 2.766 25870 3466 1 5 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.613 -1.105 25870 3467 1 5 . 1 1 876 876 ALA H H 876 7.762 7.762 7.672 0.090 25870 3468 1 5 . 1 1 877 877 LEU N N 877 125.695 125.695 121.283 4.412 25870 3469 1 5 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.134 -0.358 25870 3470 1 5 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.717 0.552 25870 3471 1 5 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.134 -2.335 25870 3472 1 5 . 1 1 877 877 LEU H H 877 9.595 9.595 9.364 0.231 25870 3473 1 5 . 1 1 878 878 ASP N N 878 119.823 119.823 121.425 -1.602 25870 3474 1 5 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.471 0.408 25870 3475 1 5 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.321 -0.324 25870 3476 1 5 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.387 -0.606 25870 3477 1 5 . 1 1 878 878 ASP H H 878 9.031 9.031 8.183 0.848 25870 3478 1 5 . 1 1 879 879 TYR N N 879 126.556 126.556 123.890 2.666 25870 3479 1 5 . 1 1 879 879 TYR HA H 879 4.591 4.591 3.879 0.712 25870 3480 1 5 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.346 0.050 25870 3481 1 5 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.358 -0.037 25870 3482 1 5 . 1 1 879 879 TYR H H 879 7.456 7.456 7.814 -0.358 25870 3483 1 5 . 1 1 880 880 MET N N 880 119.958 119.958 114.286 5.672 25870 3484 1 5 . 1 1 880 880 MET HA H 880 4.605 4.605 4.652 -0.047 25870 3485 1 5 . 1 1 880 880 MET CA C 880 56.044 56.044 56.863 -0.819 25870 3486 1 5 . 1 1 880 880 MET CB C 880 30.101 30.101 33.477 -3.376 25870 3487 1 5 . 1 1 880 880 MET H H 880 7.627 7.627 7.313 0.314 25870 3488 1 5 . 1 1 881 881 SER N N 881 114.328 114.328 115.703 -1.375 25870 3489 1 5 . 1 1 881 881 SER HA H 881 4.471 4.471 4.556 -0.085 25870 3490 1 5 . 1 1 881 881 SER CA C 881 58.917 58.917 57.430 1.487 25870 3491 1 5 . 1 1 881 881 SER CB C 881 64.447 64.447 63.610 0.837 25870 3492 1 5 . 1 1 881 881 SER H H 881 7.726 7.726 8.101 -0.375 25870 3493 1 5 . 1 1 882 882 PHE N N 882 122.735 122.735 119.587 3.148 25870 3494 1 5 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.332 0.390 25870 3495 1 5 . 1 1 882 882 PHE CA C 882 59.231 59.231 56.792 2.439 25870 3496 1 5 . 1 1 882 882 PHE CB C 882 40.285 40.285 38.667 1.618 25870 3497 1 5 . 1 1 882 882 PHE H H 882 7.385 7.385 7.628 -0.243 25870 3498 1 5 . 1 1 883 883 SER N N 883 120.156 120.156 117.443 2.713 25870 3499 1 5 . 1 1 883 883 SER HA H 883 4.299 4.299 4.368 -0.069 25870 3500 1 5 . 1 1 883 883 SER CA C 883 57.280 57.280 58.356 -1.076 25870 3501 1 5 . 1 1 883 883 SER CB C 883 64.601 64.601 63.901 0.700 25870 3502 1 5 . 1 1 883 883 SER H H 883 7.472 7.472 8.436 -0.964 25870 3503 1 5 . 1 1 884 884 THR N N 884 110.683 110.683 116.620 -5.937 25870 3504 1 5 . 1 1 884 884 THR HA H 884 3.966 3.966 4.251 -0.285 25870 3505 1 5 . 1 1 884 884 THR CA C 884 63.465 63.465 62.883 0.582 25870 3506 1 5 . 1 1 884 884 THR CB C 884 68.899 68.899 68.891 0.008 25870 3507 1 5 . 1 1 884 884 THR H H 884 7.996 7.996 8.172 -0.176 25870 3508 1 5 . 1 1 885 885 ALA N N 885 125.456 125.456 123.036 2.420 25870 3509 1 5 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.428 -0.192 25870 3510 1 5 . 1 1 885 885 ALA CA C 885 52.030 52.030 52.355 -0.326 25870 3511 1 5 . 1 1 885 885 ALA CB C 885 19.225 19.225 19.064 0.161 25870 3512 1 5 . 1 1 885 885 ALA H H 885 7.905 7.905 8.040 -0.135 25870 3513 1 5 . 1 1 886 886 LEU N N 886 120.638 120.638 117.065 3.573 25870 3514 1 5 . 1 1 886 886 LEU HA H 886 4.002 4.002 4.397 -0.395 25870 3515 1 5 . 1 1 886 886 LEU CA C 886 55.462 55.462 53.597 1.865 25870 3516 1 5 . 1 1 886 886 LEU CB C 886 42.265 42.265 44.608 -2.343 25870 3517 1 5 . 1 1 886 886 LEU H H 886 8.079 8.079 7.388 0.691 25870 3518 1 5 . 1 1 887 887 TYR N N 887 121.526 121.526 118.547 2.979 25870 3519 1 5 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.643 -0.287 25870 3520 1 5 . 1 1 887 887 TYR CA C 887 58.750 58.750 58.537 0.213 25870 3521 1 5 . 1 1 887 887 TYR CB C 887 38.569 38.569 38.364 0.205 25870 3522 1 5 . 1 1 887 887 TYR H H 887 8.267 8.267 7.761 0.506 25870 3523 1 5 . 1 1 888 888 GLY N N 888 112.379 112.379 106.777 5.602 25870 3524 1 5 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.680 0.410 25870 3525 1 5 . 1 1 888 888 GLY H H 888 8.087 8.087 7.369 0.718 25870 3526 1 5 . 1 1 889 889 GLU N N 889 120.255 120.255 119.032 1.223 25870 3527 1 5 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.661 -0.405 25870 3528 1 5 . 1 1 889 889 GLU CA C 889 56.445 56.445 56.652 -0.207 25870 3529 1 5 . 1 1 889 889 GLU CB C 889 30.393 30.393 31.879 -1.486 25870 3530 1 5 . 1 1 889 889 GLU H H 889 7.994 7.994 8.709 -0.715 25870 3531 1 5 . 1 1 890 890 SER N N 890 116.375 116.375 115.370 1.005 25870 3532 1 5 . 1 1 890 890 SER HA H 890 4.415 4.415 4.655 -0.240 25870 3533 1 5 . 1 1 890 890 SER CA C 890 58.204 58.204 58.527 -0.323 25870 3534 1 5 . 1 1 890 890 SER CB C 890 63.913 63.913 63.918 -0.005 25870 3535 1 5 . 1 1 890 890 SER H H 890 8.329 8.329 8.369 -0.040 25870 3536 1 5 . 1 1 891 891 ASP N N 891 123.017 123.017 121.401 1.616 25870 3537 1 5 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.886 -0.276 25870 3538 1 5 . 1 1 891 891 ASP CA C 891 54.371 54.371 54.929 -0.558 25870 3539 1 5 . 1 1 891 891 ASP CB C 891 41.013 41.013 41.322 -0.309 25870 3540 1 5 . 1 1 891 891 ASP H H 891 8.394 8.394 8.377 0.017 25870 3541 1 6 . 1 1 742 742 SER HA H 742 4.525 4.525 4.224 0.301 25870 3542 1 6 . 1 1 742 742 SER CA C 742 58.148 58.148 60.124 -1.976 25870 3543 1 6 . 1 1 742 742 SER CB C 742 63.791 63.791 63.059 0.732 25870 3544 1 6 . 1 1 743 743 ILE N N 743 122.172 122.172 121.634 0.538 25870 3545 1 6 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.147 0.215 25870 3546 1 6 . 1 1 743 743 ILE CA C 743 60.421 60.421 61.013 -0.592 25870 3547 1 6 . 1 1 743 743 ILE CB C 743 39.166 39.166 39.131 0.035 25870 3548 1 6 . 1 1 743 743 ILE H H 743 8.132 8.132 8.180 -0.048 25870 3549 1 6 . 1 1 744 744 SER N N 744 123.144 123.144 122.647 0.497 25870 3550 1 6 . 1 1 744 744 SER HA H 744 4.449 4.449 4.729 -0.280 25870 3551 1 6 . 1 1 744 744 SER CA C 744 57.463 57.463 57.031 0.432 25870 3552 1 6 . 1 1 744 744 SER CB C 744 65.219 65.219 65.858 -0.639 25870 3553 1 6 . 1 1 744 744 SER H H 744 8.848 8.848 8.308 0.540 25870 3554 1 6 . 1 1 745 745 GLN N N 745 121.619 121.619 121.380 0.239 25870 3555 1 6 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.151 -0.199 25870 3556 1 6 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.020 -0.252 25870 3557 1 6 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.671 -0.159 25870 3558 1 6 . 1 1 745 745 GLN H H 745 9.042 9.042 9.120 -0.078 25870 3559 1 6 . 1 1 746 746 GLU N N 746 118.648 118.648 119.008 -0.360 25870 3560 1 6 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.192 -0.188 25870 3561 1 6 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.531 1.692 25870 3562 1 6 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.356 -0.502 25870 3563 1 6 . 1 1 746 746 GLU H H 746 8.721 8.721 8.437 0.284 25870 3564 1 6 . 1 1 747 747 GLN N N 747 120.463 120.463 120.519 -0.056 25870 3565 1 6 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.102 -0.336 25870 3566 1 6 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.829 -0.523 25870 3567 1 6 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.569 0.379 25870 3568 1 6 . 1 1 747 747 GLN H H 747 7.838 7.838 8.336 -0.498 25870 3569 1 6 . 1 1 748 748 MET N N 748 119.252 119.252 115.276 3.976 25870 3570 1 6 . 1 1 748 748 MET HA H 748 4.200 4.200 4.448 -0.248 25870 3571 1 6 . 1 1 748 748 MET CA C 748 58.096 58.096 59.152 -1.056 25870 3572 1 6 . 1 1 748 748 MET CB C 748 30.900 30.900 32.325 -1.425 25870 3573 1 6 . 1 1 748 748 MET H H 748 8.473 8.473 8.090 0.383 25870 3574 1 6 . 1 1 749 749 ASN N N 749 117.740 117.740 118.320 -0.580 25870 3575 1 6 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.557 -0.083 25870 3576 1 6 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.537 0.258 25870 3577 1 6 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.788 -1.375 25870 3578 1 6 . 1 1 749 749 ASN H H 749 8.334 8.334 7.745 0.589 25870 3579 1 6 . 1 1 750 750 GLU N N 750 122.848 122.848 118.596 4.252 25870 3580 1 6 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.191 0.013 25870 3581 1 6 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.204 1.137 25870 3582 1 6 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.848 -0.664 25870 3583 1 6 . 1 1 750 750 GLU H H 750 7.838 7.838 8.348 -0.510 25870 3584 1 6 . 1 1 751 751 PHE N N 751 120.177 120.177 122.949 -2.772 25870 3585 1 6 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.372 0.649 25870 3586 1 6 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.642 -1.290 25870 3587 1 6 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.473 -1.676 25870 3588 1 6 . 1 1 751 751 PHE H H 751 8.785 8.785 8.732 0.053 25870 3589 1 6 . 1 1 752 752 ARG N N 752 120.528 120.528 120.023 0.505 25870 3590 1 6 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.937 0.223 25870 3591 1 6 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.367 1.337 25870 3592 1 6 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.677 1.291 25870 3593 1 6 . 1 1 752 752 ARG H H 752 9.016 9.016 8.082 0.934 25870 3594 1 6 . 1 1 753 753 ALA N N 753 121.112 121.112 122.542 -1.430 25870 3595 1 6 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.466 -0.221 25870 3596 1 6 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.499 0.832 25870 3597 1 6 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.885 -0.062 25870 3598 1 6 . 1 1 753 753 ALA H H 753 8.100 8.100 7.957 0.143 25870 3599 1 6 . 1 1 754 754 SER N N 754 115.589 115.589 115.054 0.535 25870 3600 1 6 . 1 1 754 754 SER HA H 754 4.452 4.452 4.203 0.249 25870 3601 1 6 . 1 1 754 754 SER CA C 754 62.675 62.675 59.740 2.935 25870 3602 1 6 . 1 1 754 754 SER CB C 754 63.359 63.359 62.576 0.783 25870 3603 1 6 . 1 1 754 754 SER H H 754 8.391 8.391 7.847 0.544 25870 3604 1 6 . 1 1 755 755 PHE N N 755 121.886 121.886 119.228 2.658 25870 3605 1 6 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.913 -0.271 25870 3606 1 6 . 1 1 755 755 PHE CA C 755 61.964 61.964 59.022 2.942 25870 3607 1 6 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.525 1.297 25870 3608 1 6 . 1 1 755 755 PHE H H 755 8.675 8.675 7.609 1.066 25870 3609 1 6 . 1 1 756 756 ASN N N 756 113.618 113.618 114.180 -0.562 25870 3610 1 6 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.185 0.242 25870 3611 1 6 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.968 2.643 25870 3612 1 6 . 1 1 756 756 ASN CB C 756 37.838 37.838 39.049 -1.211 25870 3613 1 6 . 1 1 756 756 ASN H H 756 8.593 8.593 7.690 0.903 25870 3614 1 6 . 1 1 757 757 HIS N N 757 119.679 119.679 120.211 -0.532 25870 3615 1 6 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.307 -0.228 25870 3616 1 6 . 1 1 757 757 HIS CA C 757 59.344 59.344 59.339 0.005 25870 3617 1 6 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.228 -0.339 25870 3618 1 6 . 1 1 757 757 HIS H H 757 8.139 8.139 7.423 0.716 25870 3619 1 6 . 1 1 758 758 PHE N N 758 113.051 113.051 116.096 -3.045 25870 3620 1 6 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.524 -0.463 25870 3621 1 6 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.471 2.226 25870 3622 1 6 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.465 -1.730 25870 3623 1 6 . 1 1 758 758 PHE H H 758 7.585 7.585 7.512 0.073 25870 3624 1 6 . 1 1 759 759 ASP N N 759 120.916 120.916 120.945 -0.029 25870 3625 1 6 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.395 0.114 25870 3626 1 6 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.843 -2.672 25870 3627 1 6 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.332 -2.323 25870 3628 1 6 . 1 1 759 759 ASP H H 759 7.423 7.423 7.658 -0.235 25870 3629 1 6 . 1 1 760 760 ARG N N 760 124.819 124.819 127.541 -2.722 25870 3630 1 6 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.024 -0.256 25870 3631 1 6 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.989 -0.714 25870 3632 1 6 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.634 -0.385 25870 3633 1 6 . 1 1 760 760 ARG H H 760 7.781 7.781 8.216 -0.435 25870 3634 1 6 . 1 1 761 761 ASP N N 761 113.673 113.673 113.167 0.506 25870 3635 1 6 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.832 -0.349 25870 3636 1 6 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.258 -1.281 25870 3637 1 6 . 1 1 761 761 ASP CB C 761 39.522 39.522 40.947 -1.425 25870 3638 1 6 . 1 1 761 761 ASP H H 761 7.821 7.821 8.161 -0.340 25870 3639 1 6 . 1 1 762 762 HIS N N 762 114.966 114.966 116.368 -1.402 25870 3640 1 6 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.231 -0.070 25870 3641 1 6 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.997 -0.379 25870 3642 1 6 . 1 1 762 762 HIS CB C 762 26.380 26.380 27.806 -1.426 25870 3643 1 6 . 1 1 762 762 HIS H H 762 7.744 7.744 7.821 -0.077 25870 3644 1 6 . 1 1 763 763 SER N N 763 115.077 115.077 114.015 1.062 25870 3645 1 6 . 1 1 763 763 SER HA H 763 4.336 4.336 4.361 -0.025 25870 3646 1 6 . 1 1 763 763 SER CA C 763 59.860 59.860 59.791 0.069 25870 3647 1 6 . 1 1 763 763 SER CB C 763 65.192 65.192 64.002 1.190 25870 3648 1 6 . 1 1 763 763 SER H H 763 8.726 8.726 8.201 0.525 25870 3649 1 6 . 1 1 764 764 GLY N N 764 116.915 116.915 110.299 6.616 25870 3650 1 6 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.672 -0.223 25870 3651 1 6 . 1 1 764 764 GLY H H 764 11.017 11.017 8.893 2.124 25870 3652 1 6 . 1 1 765 765 THR N N 765 107.334 107.334 110.787 -3.453 25870 3653 1 6 . 1 1 765 765 THR HA H 765 4.829 4.829 5.253 -0.424 25870 3654 1 6 . 1 1 765 765 THR CA C 765 58.759 58.759 60.853 -2.094 25870 3655 1 6 . 1 1 765 765 THR CB C 765 73.383 73.383 71.941 1.442 25870 3656 1 6 . 1 1 765 765 THR H H 765 7.693 7.693 8.073 -0.380 25870 3657 1 6 . 1 1 766 766 LEU N N 766 124.664 124.664 124.675 -0.011 25870 3658 1 6 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.821 0.079 25870 3659 1 6 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.721 -1.382 25870 3660 1 6 . 1 1 766 766 LEU CB C 766 42.339 42.339 43.057 -0.718 25870 3661 1 6 . 1 1 766 766 LEU H H 766 9.209 9.209 8.823 0.386 25870 3662 1 6 . 1 1 767 767 GLY N N 767 112.024 112.024 112.019 0.005 25870 3663 1 6 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.947 0.176 25870 3664 1 6 . 1 1 767 767 GLY H H 767 8.910 8.910 9.116 -0.206 25870 3665 1 6 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.565 -0.247 25870 3666 1 6 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.116 1.011 25870 3667 1 6 . 1 1 768 768 PRO CB C 768 32.029 32.029 31.939 0.090 25870 3668 1 6 . 1 1 769 769 GLU N N 769 115.246 115.246 116.834 -1.588 25870 3669 1 6 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.056 -0.085 25870 3670 1 6 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.857 0.764 25870 3671 1 6 . 1 1 769 769 GLU CB C 769 28.628 28.628 28.329 0.299 25870 3672 1 6 . 1 1 769 769 GLU H H 769 8.622 8.622 9.062 -0.440 25870 3673 1 6 . 1 1 770 770 GLU N N 770 121.127 121.127 118.390 2.737 25870 3674 1 6 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.259 0.013 25870 3675 1 6 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.158 0.339 25870 3676 1 6 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.786 1.586 25870 3677 1 6 . 1 1 770 770 GLU H H 770 7.493 7.493 8.002 -0.509 25870 3678 1 6 . 1 1 771 771 PHE N N 771 117.688 117.688 122.010 -4.322 25870 3679 1 6 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.264 0.091 25870 3680 1 6 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.715 -2.090 25870 3681 1 6 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.437 -0.627 25870 3682 1 6 . 1 1 771 771 PHE H H 771 9.110 9.110 8.906 0.204 25870 3683 1 6 . 1 1 772 772 LYS N N 772 119.789 119.789 118.497 1.292 25870 3684 1 6 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.642 -0.329 25870 3685 1 6 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.343 2.329 25870 3686 1 6 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.848 1.131 25870 3687 1 6 . 1 1 772 772 LYS H H 772 8.594 8.594 7.991 0.603 25870 3688 1 6 . 1 1 773 773 ALA N N 773 118.461 118.461 120.697 -2.236 25870 3689 1 6 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.058 -0.177 25870 3690 1 6 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.853 1.160 25870 3691 1 6 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.916 -1.287 25870 3692 1 6 . 1 1 773 773 ALA H H 773 7.231 7.231 7.544 -0.313 25870 3693 1 6 . 1 1 774 774 CYS N N 774 120.913 120.913 119.177 1.736 25870 3694 1 6 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.709 -0.274 25870 3695 1 6 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.667 -0.493 25870 3696 1 6 . 1 1 774 774 CYS CB C 774 26.215 26.215 26.169 0.046 25870 3697 1 6 . 1 1 774 774 CYS H H 774 7.498 7.498 7.794 -0.296 25870 3698 1 6 . 1 1 775 775 LEU N N 775 119.201 119.201 118.495 0.706 25870 3699 1 6 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.516 0.250 25870 3700 1 6 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.258 1.674 25870 3701 1 6 . 1 1 775 775 LEU CB C 775 40.950 40.950 40.982 -0.032 25870 3702 1 6 . 1 1 775 775 LEU H H 775 8.372 8.372 7.585 0.787 25870 3703 1 6 . 1 1 776 776 ILE N N 776 121.051 121.051 117.766 3.285 25870 3704 1 6 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.470 1.620 25870 3705 1 6 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.206 1.038 25870 3706 1 6 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.200 0.791 25870 3707 1 6 . 1 1 776 776 ILE H H 776 8.358 8.358 6.667 1.691 25870 3708 1 6 . 1 1 777 777 SER N N 777 119.109 119.109 114.399 4.710 25870 3709 1 6 . 1 1 777 777 SER HA H 777 4.291 4.291 4.163 0.128 25870 3710 1 6 . 1 1 777 777 SER CA C 777 61.725 61.725 60.222 1.503 25870 3711 1 6 . 1 1 777 777 SER CB C 777 62.995 62.995 62.765 0.230 25870 3712 1 6 . 1 1 777 777 SER H H 777 7.822 7.822 7.314 0.508 25870 3713 1 6 . 1 1 778 778 LEU N N 778 121.208 121.208 117.772 3.436 25870 3714 1 6 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.380 0.126 25870 3715 1 6 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.992 1.008 25870 3716 1 6 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.471 0.199 25870 3717 1 6 . 1 1 778 778 LEU H H 778 7.671 7.671 7.109 0.562 25870 3718 1 6 . 1 1 779 779 GLY N N 779 106.232 106.232 106.604 -0.372 25870 3719 1 6 . 1 1 779 779 GLY CA C 779 45.287 45.287 44.917 0.370 25870 3720 1 6 . 1 1 779 779 GLY H H 779 7.897 7.897 7.256 0.641 25870 3721 1 6 . 1 1 780 780 TYR N N 780 120.772 120.772 119.479 1.293 25870 3722 1 6 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.584 -0.442 25870 3723 1 6 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.258 3.973 25870 3724 1 6 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.542 -0.201 25870 3725 1 6 . 1 1 780 780 TYR H H 780 8.072 8.072 7.449 0.623 25870 3726 1 6 . 1 1 781 781 ASP N N 781 124.304 124.304 117.791 6.513 25870 3727 1 6 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.655 0.010 25870 3728 1 6 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.976 -0.828 25870 3729 1 6 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.592 -0.788 25870 3730 1 6 . 1 1 781 781 ASP H H 781 8.862 8.862 9.036 -0.174 25870 3731 1 6 . 1 1 782 782 ILE N N 782 122.271 122.271 113.468 8.803 25870 3732 1 6 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.337 0.004 25870 3733 1 6 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.115 -0.123 25870 3734 1 6 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.187 -2.280 25870 3735 1 6 . 1 1 782 782 ILE H H 782 7.344 7.344 6.858 0.486 25870 3736 1 6 . 1 1 783 783 GLY N N 783 112.322 112.322 106.996 5.326 25870 3737 1 6 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.186 0.337 25870 3738 1 6 . 1 1 783 783 GLY H H 783 8.122 8.122 7.772 0.349 25870 3739 1 6 . 1 1 784 784 ASN N N 784 118.727 118.727 117.929 0.798 25870 3740 1 6 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.800 0.082 25870 3741 1 6 . 1 1 784 784 ASN CA C 784 52.098 52.098 52.669 -0.571 25870 3742 1 6 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.913 -1.489 25870 3743 1 6 . 1 1 784 784 ASN H H 784 8.452 8.452 8.583 -0.131 25870 3744 1 6 . 1 1 785 785 ASP N N 785 119.826 119.826 119.569 0.257 25870 3745 1 6 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.820 -0.042 25870 3746 1 6 . 1 1 785 785 ASP CA C 785 52.164 52.164 51.975 0.189 25870 3747 1 6 . 1 1 785 785 ASP CB C 785 39.657 39.657 40.831 -1.173 25870 3748 1 6 . 1 1 785 785 ASP H H 785 8.145 8.145 7.641 0.504 25870 3749 1 6 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.420 -0.149 25870 3750 1 6 . 1 1 786 786 PRO CA C 786 66.265 66.265 64.726 1.539 25870 3751 1 6 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.036 -0.025 25870 3752 1 6 . 1 1 787 787 GLN N N 787 118.097 118.097 116.971 1.126 25870 3753 1 6 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.318 -0.177 25870 3754 1 6 . 1 1 787 787 GLN CA C 787 59.115 59.115 57.569 1.546 25870 3755 1 6 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.672 -0.940 25870 3756 1 6 . 1 1 787 787 GLN H H 787 8.409 8.409 8.531 -0.122 25870 3757 1 6 . 1 1 788 788 GLY N N 788 113.421 113.421 108.683 4.738 25870 3758 1 6 . 1 1 788 788 GLY CA C 788 47.317 47.317 47.036 0.281 25870 3759 1 6 . 1 1 788 788 GLY H H 788 8.644 8.644 8.873 -0.229 25870 3760 1 6 . 1 1 789 789 GLU N N 789 121.223 121.223 121.240 -0.017 25870 3761 1 6 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.288 -0.140 25870 3762 1 6 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.392 -0.048 25870 3763 1 6 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.454 -0.019 25870 3764 1 6 . 1 1 789 789 GLU H H 789 8.514 8.514 8.334 0.180 25870 3765 1 6 . 1 1 790 790 ALA N N 790 122.879 122.879 122.657 0.222 25870 3766 1 6 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.215 0.032 25870 3767 1 6 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.116 -0.209 25870 3768 1 6 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.454 -0.674 25870 3769 1 6 . 1 1 790 790 ALA H H 790 8.024 8.024 7.679 0.345 25870 3770 1 6 . 1 1 791 791 GLU N N 791 122.622 122.622 119.220 3.402 25870 3771 1 6 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.094 0.593 25870 3772 1 6 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.724 -0.590 25870 3773 1 6 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.508 -0.447 25870 3774 1 6 . 1 1 791 791 GLU H H 791 8.280 8.280 8.057 0.223 25870 3775 1 6 . 1 1 792 792 PHE N N 792 119.949 119.949 120.991 -1.042 25870 3776 1 6 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.252 -0.214 25870 3777 1 6 . 1 1 792 792 PHE CA C 792 61.812 61.812 60.981 0.831 25870 3778 1 6 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.584 0.014 25870 3779 1 6 . 1 1 792 792 PHE H H 792 8.722 8.722 8.827 -0.105 25870 3780 1 6 . 1 1 793 793 ALA N N 793 119.652 119.652 121.730 -2.078 25870 3781 1 6 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.281 0.573 25870 3782 1 6 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.482 0.420 25870 3783 1 6 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.834 -0.206 25870 3784 1 6 . 1 1 793 793 ALA H H 793 8.163 8.163 7.808 0.355 25870 3785 1 6 . 1 1 794 794 ARG N N 794 121.092 121.092 119.356 1.736 25870 3786 1 6 . 1 1 794 794 ARG HA H 794 3.910 3.910 3.982 -0.072 25870 3787 1 6 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.197 0.274 25870 3788 1 6 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.198 -0.106 25870 3789 1 6 . 1 1 794 794 ARG H H 794 8.034 8.034 7.598 0.436 25870 3790 1 6 . 1 1 795 795 ILE N N 795 121.394 121.394 120.347 1.047 25870 3791 1 6 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.710 -0.322 25870 3792 1 6 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.408 0.440 25870 3793 1 6 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.224 -0.015 25870 3794 1 6 . 1 1 795 795 ILE H H 795 8.049 8.049 7.745 0.304 25870 3795 1 6 . 1 1 796 796 MET N N 796 119.012 119.012 118.907 0.105 25870 3796 1 6 . 1 1 796 796 MET HA H 796 4.155 4.155 3.967 0.188 25870 3797 1 6 . 1 1 796 796 MET CA C 796 56.470 56.470 58.111 -1.641 25870 3798 1 6 . 1 1 796 796 MET CB C 796 29.892 29.892 31.415 -1.523 25870 3799 1 6 . 1 1 796 796 MET H H 796 8.589 8.589 8.335 0.254 25870 3800 1 6 . 1 1 797 797 SER N N 797 114.132 114.132 112.313 1.819 25870 3801 1 6 . 1 1 797 797 SER HA H 797 4.097 4.097 4.261 -0.164 25870 3802 1 6 . 1 1 797 797 SER CA C 797 61.231 61.231 60.581 0.650 25870 3803 1 6 . 1 1 797 797 SER CB C 797 62.895 62.895 63.752 -0.857 25870 3804 1 6 . 1 1 797 797 SER H H 797 7.732 7.732 7.547 0.185 25870 3805 1 6 . 1 1 798 798 ILE N N 798 120.873 120.873 116.087 4.786 25870 3806 1 6 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.169 -0.351 25870 3807 1 6 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.092 0.783 25870 3808 1 6 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.578 0.285 25870 3809 1 6 . 1 1 798 798 ILE H H 798 7.352 7.352 7.658 -0.306 25870 3810 1 6 . 1 1 799 799 VAL N N 799 110.552 110.552 113.233 -2.681 25870 3811 1 6 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.077 0.166 25870 3812 1 6 . 1 1 799 799 VAL CA C 799 62.616 62.616 60.647 1.969 25870 3813 1 6 . 1 1 799 799 VAL CB C 799 32.416 32.416 30.738 1.678 25870 3814 1 6 . 1 1 799 799 VAL H H 799 7.648 7.648 7.918 -0.270 25870 3815 1 6 . 1 1 800 800 ASP N N 800 119.435 119.435 120.048 -0.613 25870 3816 1 6 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.108 0.117 25870 3817 1 6 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.124 1.591 25870 3818 1 6 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.394 -0.308 25870 3819 1 6 . 1 1 800 800 ASP H H 800 8.074 8.074 7.451 0.623 25870 3820 1 6 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.423 -0.092 25870 3821 1 6 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.786 1.033 25870 3822 1 6 . 1 1 801 801 PRO CB C 801 31.689 31.689 32.039 -0.350 25870 3823 1 6 . 1 1 802 802 ASN N N 802 115.164 115.164 116.312 -1.148 25870 3824 1 6 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.701 0.059 25870 3825 1 6 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.742 0.256 25870 3826 1 6 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.543 -1.591 25870 3827 1 6 . 1 1 802 802 ASN H H 802 8.949 8.949 7.725 1.224 25870 3828 1 6 . 1 1 803 803 ARG N N 803 117.446 117.446 116.094 1.352 25870 3829 1 6 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.263 -0.433 25870 3830 1 6 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.931 -0.043 25870 3831 1 6 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.199 -0.845 25870 3832 1 6 . 1 1 803 803 ARG H H 803 7.958 7.958 7.937 0.021 25870 3833 1 6 . 1 1 804 804 LEU N N 804 123.307 123.307 116.588 6.719 25870 3834 1 6 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.715 -0.559 25870 3835 1 6 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.305 2.068 25870 3836 1 6 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.684 1.246 25870 3837 1 6 . 1 1 804 804 LEU H H 804 10.591 10.591 8.177 2.414 25870 3838 1 6 . 1 1 805 805 GLY N N 805 110.516 110.516 107.507 3.009 25870 3839 1 6 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.808 -0.864 25870 3840 1 6 . 1 1 805 805 GLY H H 805 11.001 11.001 8.549 2.452 25870 3841 1 6 . 1 1 806 806 VAL N N 806 109.840 109.840 114.960 -5.120 25870 3842 1 6 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.430 0.141 25870 3843 1 6 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.568 -1.002 25870 3844 1 6 . 1 1 806 806 VAL CB C 806 36.853 36.853 34.490 2.362 25870 3845 1 6 . 1 1 806 806 VAL H H 806 6.831 6.831 7.111 -0.280 25870 3846 1 6 . 1 1 807 807 VAL N N 807 122.184 122.184 122.096 0.088 25870 3847 1 6 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.318 -0.151 25870 3848 1 6 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.634 1.010 25870 3849 1 6 . 1 1 807 807 VAL CB C 807 32.383 32.383 31.888 0.495 25870 3850 1 6 . 1 1 807 807 VAL H H 807 9.007 9.007 8.806 0.201 25870 3851 1 6 . 1 1 808 808 THR N N 808 117.391 117.391 117.646 -0.255 25870 3852 1 6 . 1 1 808 808 THR HA H 808 4.593 4.593 4.750 -0.157 25870 3853 1 6 . 1 1 808 808 THR CA C 808 60.615 60.615 58.499 2.116 25870 3854 1 6 . 1 1 808 808 THR CB C 808 70.695 70.695 71.218 -0.523 25870 3855 1 6 . 1 1 808 808 THR H H 808 7.925 7.925 7.692 0.233 25870 3856 1 6 . 1 1 809 809 PHE N N 809 122.236 122.236 119.086 3.150 25870 3857 1 6 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.447 -0.807 25870 3858 1 6 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.301 0.448 25870 3859 1 6 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.505 0.672 25870 3860 1 6 . 1 1 809 809 PHE H H 809 9.349 9.349 8.325 1.024 25870 3861 1 6 . 1 1 810 810 GLN N N 810 116.788 116.788 116.790 -0.002 25870 3862 1 6 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.198 -0.600 25870 3863 1 6 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.842 0.740 25870 3864 1 6 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.514 -0.315 25870 3865 1 6 . 1 1 810 810 GLN H H 810 8.572 8.572 7.798 0.774 25870 3866 1 6 . 1 1 811 811 ALA N N 811 121.208 121.208 121.906 -0.698 25870 3867 1 6 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.193 -0.074 25870 3868 1 6 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.748 1.163 25870 3869 1 6 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.931 0.334 25870 3870 1 6 . 1 1 811 811 ALA H H 811 7.667 7.667 7.682 -0.015 25870 3871 1 6 . 1 1 812 812 PHE N N 812 119.805 119.805 118.909 0.896 25870 3872 1 6 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.371 -0.391 25870 3873 1 6 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.092 -0.352 25870 3874 1 6 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.738 0.932 25870 3875 1 6 . 1 1 812 812 PHE H H 812 8.400 8.400 8.310 0.090 25870 3876 1 6 . 1 1 813 813 ILE N N 813 118.098 118.098 118.649 -0.551 25870 3877 1 6 . 1 1 813 813 ILE HA H 813 3.146 3.146 3.990 -0.844 25870 3878 1 6 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.516 0.783 25870 3879 1 6 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.370 -0.168 25870 3880 1 6 . 1 1 813 813 ILE H H 813 8.364 8.364 7.812 0.552 25870 3881 1 6 . 1 1 814 814 ASP N N 814 123.528 123.528 120.602 2.926 25870 3882 1 6 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.366 -0.170 25870 3883 1 6 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.445 0.235 25870 3884 1 6 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.655 -0.419 25870 3885 1 6 . 1 1 814 814 ASP H H 814 8.221 8.221 7.857 0.364 25870 3886 1 6 . 1 1 815 815 PHE N N 815 120.584 120.584 119.974 0.610 25870 3887 1 6 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.446 -0.317 25870 3888 1 6 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.790 0.294 25870 3889 1 6 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.562 0.136 25870 3890 1 6 . 1 1 815 815 PHE H H 815 7.887 7.887 7.787 0.100 25870 3891 1 6 . 1 1 816 816 MET N N 816 116.960 116.960 119.617 -2.657 25870 3892 1 6 . 1 1 816 816 MET HA H 816 3.782 3.782 4.066 -0.284 25870 3893 1 6 . 1 1 816 816 MET CA C 816 55.662 55.662 57.157 -1.495 25870 3894 1 6 . 1 1 816 816 MET CB C 816 30.033 30.033 31.509 -1.476 25870 3895 1 6 . 1 1 816 816 MET H H 816 8.372 8.372 8.123 0.249 25870 3896 1 6 . 1 1 817 817 SER N N 817 114.277 114.277 112.023 2.254 25870 3897 1 6 . 1 1 817 817 SER HA H 817 4.194 4.194 4.316 -0.122 25870 3898 1 6 . 1 1 817 817 SER CA C 817 60.521 60.521 60.186 0.335 25870 3899 1 6 . 1 1 817 817 SER CB C 817 63.185 63.185 63.554 -0.369 25870 3900 1 6 . 1 1 817 817 SER H H 817 8.074 8.074 8.316 -0.242 25870 3901 1 6 . 1 1 818 818 ARG N N 818 121.493 121.493 120.832 0.661 25870 3902 1 6 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.198 -0.074 25870 3903 1 6 . 1 1 818 818 ARG CA C 818 57.684 57.684 56.583 1.101 25870 3904 1 6 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.066 1.250 25870 3905 1 6 . 1 1 818 818 ARG H H 818 7.288 7.288 8.136 -0.848 25870 3906 1 6 . 1 1 819 819 GLU N N 819 119.737 119.737 117.890 1.847 25870 3907 1 6 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.106 -0.005 25870 3908 1 6 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.567 -1.501 25870 3909 1 6 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.137 1.354 25870 3910 1 6 . 1 1 819 819 GLU H H 819 8.045 8.045 7.593 0.452 25870 3911 1 6 . 1 1 820 820 THR N N 820 112.128 112.128 111.117 1.011 25870 3912 1 6 . 1 1 820 820 THR HA H 820 4.280 4.280 3.988 0.292 25870 3913 1 6 . 1 1 820 820 THR CA C 820 62.055 62.055 62.603 -0.548 25870 3914 1 6 . 1 1 820 820 THR CB C 820 69.828 69.828 68.977 0.851 25870 3915 1 6 . 1 1 820 820 THR H H 820 7.760 7.760 7.418 0.342 25870 3916 1 6 . 1 1 821 821 ALA N N 821 126.098 126.098 123.494 2.604 25870 3917 1 6 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.405 -0.121 25870 3918 1 6 . 1 1 821 821 ALA CA C 821 52.726 52.726 50.901 1.825 25870 3919 1 6 . 1 1 821 821 ALA CB C 821 19.304 19.304 20.728 -1.424 25870 3920 1 6 . 1 1 821 821 ALA H H 821 7.957 7.957 7.227 0.730 25870 3921 1 6 . 1 1 822 822 ASP N N 822 119.904 119.904 119.774 0.130 25870 3922 1 6 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.618 -0.005 25870 3923 1 6 . 1 1 822 822 ASP CA C 822 54.335 54.335 55.092 -0.757 25870 3924 1 6 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.625 -0.593 25870 3925 1 6 . 1 1 822 822 ASP H H 822 8.352 8.352 8.417 -0.065 25870 3926 1 6 . 1 1 823 823 THR N N 823 114.142 114.142 114.316 -0.174 25870 3927 1 6 . 1 1 823 823 THR HA H 823 4.278 4.278 4.627 -0.349 25870 3928 1 6 . 1 1 823 823 THR CA C 823 62.117 62.117 60.798 1.319 25870 3929 1 6 . 1 1 823 823 THR CB C 823 69.584 69.584 71.724 -2.140 25870 3930 1 6 . 1 1 823 823 THR H H 823 8.079 8.079 8.312 -0.233 25870 3931 1 6 . 1 1 824 824 ASP N N 824 123.261 123.261 121.507 1.754 25870 3932 1 6 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.545 0.112 25870 3933 1 6 . 1 1 824 824 ASP CA C 824 54.786 54.786 57.225 -2.439 25870 3934 1 6 . 1 1 824 824 ASP CB C 824 41.085 41.085 41.276 -0.191 25870 3935 1 6 . 1 1 824 824 ASP H H 824 8.431 8.431 8.923 -0.492 25870 3936 1 6 . 1 1 825 825 THR N N 825 114.932 114.932 113.495 1.437 25870 3937 1 6 . 1 1 825 825 THR HA H 825 4.161 4.161 4.114 0.047 25870 3938 1 6 . 1 1 825 825 THR CA C 825 63.109 63.109 65.242 -2.133 25870 3939 1 6 . 1 1 825 825 THR CB C 825 69.455 69.455 68.273 1.182 25870 3940 1 6 . 1 1 825 825 THR H H 825 8.155 8.155 8.599 -0.444 25870 3941 1 6 . 1 1 826 826 ALA N N 826 124.961 124.961 124.381 0.580 25870 3942 1 6 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.016 0.144 25870 3943 1 6 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.155 0.237 25870 3944 1 6 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.031 0.579 25870 3945 1 6 . 1 1 826 826 ALA H H 826 8.379 8.379 8.066 0.313 25870 3946 1 6 . 1 1 827 827 ASP N N 827 117.765 117.765 118.098 -0.333 25870 3947 1 6 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.301 0.124 25870 3948 1 6 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.257 -1.206 25870 3949 1 6 . 1 1 827 827 ASP CB C 827 40.559 40.559 41.046 -0.487 25870 3950 1 6 . 1 1 827 827 ASP H H 827 8.250 8.250 7.783 0.467 25870 3951 1 6 . 1 1 828 828 GLN N N 828 120.523 120.523 118.023 2.500 25870 3952 1 6 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.081 0.010 25870 3953 1 6 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.296 -0.482 25870 3954 1 6 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.675 -0.126 25870 3955 1 6 . 1 1 828 828 GLN H H 828 8.076 8.076 7.766 0.310 25870 3956 1 6 . 1 1 829 829 VAL N N 829 120.970 120.970 119.349 1.621 25870 3957 1 6 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.799 -0.274 25870 3958 1 6 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.082 1.112 25870 3959 1 6 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.944 -0.403 25870 3960 1 6 . 1 1 829 829 VAL H H 829 8.051 8.051 7.281 0.770 25870 3961 1 6 . 1 1 830 830 MET N N 830 119.572 119.572 118.525 1.047 25870 3962 1 6 . 1 1 830 830 MET HA H 830 4.006 4.006 3.071 0.935 25870 3963 1 6 . 1 1 830 830 MET CA C 830 57.977 57.977 58.129 -0.152 25870 3964 1 6 . 1 1 830 830 MET CB C 830 31.995 31.995 31.906 0.089 25870 3965 1 6 . 1 1 830 830 MET H H 830 8.110 8.110 8.196 -0.086 25870 3966 1 6 . 1 1 831 831 ALA N N 831 121.059 121.059 121.922 -0.863 25870 3967 1 6 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.942 0.103 25870 3968 1 6 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.348 0.153 25870 3969 1 6 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.847 0.220 25870 3970 1 6 . 1 1 831 831 ALA H H 831 7.836 7.836 7.541 0.295 25870 3971 1 6 . 1 1 832 832 SER N N 832 114.256 114.256 115.282 -1.026 25870 3972 1 6 . 1 1 832 832 SER HA H 832 4.141 4.141 4.102 0.039 25870 3973 1 6 . 1 1 832 832 SER CA C 832 60.845 60.845 61.210 -0.365 25870 3974 1 6 . 1 1 832 832 SER CB C 832 62.613 62.613 62.733 -0.120 25870 3975 1 6 . 1 1 832 832 SER H H 832 7.714 7.714 7.783 -0.069 25870 3976 1 6 . 1 1 833 833 PHE N N 833 121.847 121.847 121.465 0.382 25870 3977 1 6 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.197 -0.374 25870 3978 1 6 . 1 1 833 833 PHE CA C 833 58.627 58.627 59.007 -0.380 25870 3979 1 6 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.307 0.820 25870 3980 1 6 . 1 1 833 833 PHE H H 833 7.740 7.740 7.449 0.291 25870 3981 1 6 . 1 1 834 834 LYS N N 834 118.759 118.759 119.999 -1.240 25870 3982 1 6 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.694 -0.105 25870 3983 1 6 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.322 1.062 25870 3984 1 6 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.833 0.310 25870 3985 1 6 . 1 1 834 834 LYS H H 834 7.843 7.843 7.717 0.126 25870 3986 1 6 . 1 1 835 835 ILE N N 835 118.537 118.537 119.869 -1.332 25870 3987 1 6 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.789 -0.053 25870 3988 1 6 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.534 -0.820 25870 3989 1 6 . 1 1 835 835 ILE CB C 835 37.825 37.825 38.080 -0.255 25870 3990 1 6 . 1 1 835 835 ILE H H 835 7.315 7.315 7.399 -0.084 25870 3991 1 6 . 1 1 836 836 LEU N N 836 121.201 121.201 119.453 1.748 25870 3992 1 6 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.969 -0.014 25870 3993 1 6 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.240 -0.166 25870 3994 1 6 . 1 1 836 836 LEU CB C 836 42.415 42.415 42.189 0.226 25870 3995 1 6 . 1 1 836 836 LEU H H 836 7.625 7.625 8.044 -0.419 25870 3996 1 6 . 1 1 837 837 ALA N N 837 119.184 119.184 118.318 0.866 25870 3997 1 6 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.958 -0.063 25870 3998 1 6 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.789 -0.488 25870 3999 1 6 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.430 -0.092 25870 4000 1 6 . 1 1 837 837 ALA H H 837 8.099 8.099 7.747 0.352 25870 4001 1 6 . 1 1 838 838 GLY N N 838 107.030 107.030 106.603 0.427 25870 4002 1 6 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.889 0.029 25870 4003 1 6 . 1 1 838 838 GLY H H 838 7.676 7.676 8.344 -0.668 25870 4004 1 6 . 1 1 839 839 ASP N N 839 122.291 122.291 124.577 -2.286 25870 4005 1 6 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.775 -0.298 25870 4006 1 6 . 1 1 839 839 ASP CA C 839 54.511 54.511 54.220 0.291 25870 4007 1 6 . 1 1 839 839 ASP CB C 839 40.181 40.181 42.293 -2.112 25870 4008 1 6 . 1 1 839 839 ASP H H 839 8.704 8.704 8.153 0.551 25870 4009 1 6 . 1 1 840 840 LYS N N 840 117.582 117.582 121.608 -4.026 25870 4010 1 6 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.389 -0.088 25870 4011 1 6 . 1 1 840 840 LYS CA C 840 55.780 55.780 56.594 -0.814 25870 4012 1 6 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.019 0.691 25870 4013 1 6 . 1 1 840 840 LYS H H 840 7.583 7.583 7.401 0.182 25870 4014 1 6 . 1 1 841 841 ASN N N 841 116.678 116.678 117.421 -0.743 25870 4015 1 6 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.554 0.057 25870 4016 1 6 . 1 1 841 841 ASN CA C 841 53.466 53.466 54.032 -0.566 25870 4017 1 6 . 1 1 841 841 ASN CB C 841 39.155 39.155 38.965 0.190 25870 4018 1 6 . 1 1 841 841 ASN H H 841 8.693 8.693 8.859 -0.166 25870 4019 1 6 . 1 1 842 842 TYR N N 842 112.236 112.236 114.089 -1.853 25870 4020 1 6 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.865 0.121 25870 4021 1 6 . 1 1 842 842 TYR CA C 842 54.918 54.918 55.901 -0.983 25870 4022 1 6 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.729 -0.134 25870 4023 1 6 . 1 1 842 842 TYR H H 842 6.637 6.637 7.285 -0.648 25870 4024 1 6 . 1 1 843 843 ILE N N 843 115.475 115.475 120.848 -5.373 25870 4025 1 6 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.686 0.106 25870 4026 1 6 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.154 0.803 25870 4027 1 6 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.992 0.017 25870 4028 1 6 . 1 1 843 843 ILE H H 843 8.630 8.630 9.187 -0.557 25870 4029 1 6 . 1 1 844 844 THR N N 844 117.169 117.169 117.507 -0.338 25870 4030 1 6 . 1 1 844 844 THR HA H 844 5.370 5.370 5.180 0.190 25870 4031 1 6 . 1 1 844 844 THR CA C 844 60.177 60.177 60.447 -0.270 25870 4032 1 6 . 1 1 844 844 THR CB C 844 71.088 71.088 70.947 0.141 25870 4033 1 6 . 1 1 844 844 THR H H 844 9.330 9.330 9.064 0.266 25870 4034 1 6 . 1 1 845 845 MET N N 845 119.860 119.860 119.999 -0.139 25870 4035 1 6 . 1 1 845 845 MET HA H 845 3.824 3.824 4.028 -0.204 25870 4036 1 6 . 1 1 845 845 MET CA C 845 60.321 60.321 60.313 0.008 25870 4037 1 6 . 1 1 845 845 MET CB C 845 33.030 33.030 32.273 0.757 25870 4038 1 6 . 1 1 845 845 MET H H 845 8.556 8.556 8.847 -0.291 25870 4039 1 6 . 1 1 846 846 ASP N N 846 116.363 116.363 119.348 -2.985 25870 4040 1 6 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.386 -0.106 25870 4041 1 6 . 1 1 846 846 ASP CA C 846 57.404 57.404 57.217 0.187 25870 4042 1 6 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.819 -0.235 25870 4043 1 6 . 1 1 846 846 ASP H H 846 8.377 8.377 8.525 -0.148 25870 4044 1 6 . 1 1 847 847 GLU N N 847 120.577 120.577 119.792 0.785 25870 4045 1 6 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.051 -0.197 25870 4046 1 6 . 1 1 847 847 GLU CA C 847 59.657 59.657 59.450 0.207 25870 4047 1 6 . 1 1 847 847 GLU CB C 847 29.660 29.660 29.646 0.014 25870 4048 1 6 . 1 1 847 847 GLU H H 847 7.855 7.855 7.764 0.091 25870 4049 1 6 . 1 1 848 848 LEU N N 848 118.714 118.714 119.398 -0.684 25870 4050 1 6 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.036 -0.214 25870 4051 1 6 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.602 1.123 25870 4052 1 6 . 1 1 848 848 LEU CB C 848 42.457 42.457 41.828 0.629 25870 4053 1 6 . 1 1 848 848 LEU H H 848 7.849 7.849 7.599 0.250 25870 4054 1 6 . 1 1 849 849 ARG N N 849 113.972 113.972 115.751 -1.779 25870 4055 1 6 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.380 -0.456 25870 4056 1 6 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.827 0.768 25870 4057 1 6 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.716 0.384 25870 4058 1 6 . 1 1 849 849 ARG H H 849 8.053 8.053 8.040 0.013 25870 4059 1 6 . 1 1 850 850 ARG N N 850 118.178 118.178 118.969 -0.791 25870 4060 1 6 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.323 -0.130 25870 4061 1 6 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.907 0.338 25870 4062 1 6 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.239 -0.119 25870 4063 1 6 . 1 1 850 850 ARG H H 850 7.743 7.743 7.721 0.022 25870 4064 1 6 . 1 1 851 851 GLU N N 851 115.518 115.518 119.043 -3.525 25870 4065 1 6 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.270 0.080 25870 4066 1 6 . 1 1 851 851 GLU CA C 851 56.886 56.886 58.248 -1.362 25870 4067 1 6 . 1 1 851 851 GLU CB C 851 31.590 31.590 30.517 1.073 25870 4068 1 6 . 1 1 851 851 GLU H H 851 7.596 7.596 7.822 -0.226 25870 4069 1 6 . 1 1 852 852 LEU N N 852 119.148 119.148 121.837 -2.689 25870 4070 1 6 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.028 -0.134 25870 4071 1 6 . 1 1 852 852 LEU CA C 852 52.174 52.174 50.989 1.185 25870 4072 1 6 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.228 1.241 25870 4073 1 6 . 1 1 852 852 LEU H H 852 7.890 7.890 7.965 -0.075 25870 4074 1 6 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.441 -0.094 25870 4075 1 6 . 1 1 853 853 PRO CA C 853 65.119 65.119 64.117 1.002 25870 4076 1 6 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.787 0.844 25870 4077 1 6 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.430 -0.160 25870 4078 1 6 . 1 1 854 854 PRO CA C 854 66.336 66.336 62.060 4.276 25870 4079 1 6 . 1 1 854 854 PRO CB C 854 32.256 32.256 32.992 -0.736 25870 4080 1 6 . 1 1 855 855 ASP N N 855 114.865 114.865 118.960 -4.095 25870 4081 1 6 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.365 -0.016 25870 4082 1 6 . 1 1 855 855 ASP CA C 855 56.913 56.913 56.811 0.102 25870 4083 1 6 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.104 -0.860 25870 4084 1 6 . 1 1 855 855 ASP H H 855 8.801 8.801 8.587 0.214 25870 4085 1 6 . 1 1 856 856 GLN N N 856 121.465 121.465 119.110 2.355 25870 4086 1 6 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.275 -0.076 25870 4087 1 6 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.427 -1.110 25870 4088 1 6 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.133 1.114 25870 4089 1 6 . 1 1 856 856 GLN H H 856 7.472 7.472 8.583 -1.111 25870 4090 1 6 . 1 1 857 857 ALA N N 857 122.805 122.805 122.445 0.360 25870 4091 1 6 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.939 -0.140 25870 4092 1 6 . 1 1 857 857 ALA CA C 857 56.303 56.303 56.127 0.176 25870 4093 1 6 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.340 -0.396 25870 4094 1 6 . 1 1 857 857 ALA H H 857 8.882 8.882 8.173 0.709 25870 4095 1 6 . 1 1 858 858 GLU N N 858 114.094 114.094 118.987 -4.893 25870 4096 1 6 . 1 1 858 858 GLU HA H 858 4.024 4.024 3.993 0.031 25870 4097 1 6 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.755 -0.073 25870 4098 1 6 . 1 1 858 858 GLU CB C 858 28.639 28.639 28.955 -0.316 25870 4099 1 6 . 1 1 858 858 GLU H H 858 8.155 8.155 7.868 0.287 25870 4100 1 6 . 1 1 859 859 TYR N N 859 120.665 120.665 122.343 -1.678 25870 4101 1 6 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.148 -0.064 25870 4102 1 6 . 1 1 859 859 TYR CA C 859 61.006 61.006 61.132 -0.126 25870 4103 1 6 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.190 0.498 25870 4104 1 6 . 1 1 859 859 TYR H H 859 7.708 7.708 8.453 -0.745 25870 4105 1 6 . 1 1 860 860 CYS N N 860 115.812 115.812 117.444 -1.632 25870 4106 1 6 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.376 0.782 25870 4107 1 6 . 1 1 860 860 CYS CA C 860 64.254 64.254 63.979 0.275 25870 4108 1 6 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.969 0.335 25870 4109 1 6 . 1 1 860 860 CYS H H 860 8.113 8.113 7.718 0.395 25870 4110 1 6 . 1 1 861 861 ILE N N 861 120.078 120.078 121.025 -0.947 25870 4111 1 6 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.581 -0.242 25870 4112 1 6 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.300 0.343 25870 4113 1 6 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.571 1.143 25870 4114 1 6 . 1 1 861 861 ILE H H 861 8.453 8.453 8.153 0.300 25870 4115 1 6 . 1 1 862 862 ALA N N 862 116.691 116.691 120.979 -4.288 25870 4116 1 6 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.033 0.176 25870 4117 1 6 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.492 -1.270 25870 4118 1 6 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.355 0.647 25870 4119 1 6 . 1 1 862 862 ALA H H 862 7.307 7.307 8.257 -0.950 25870 4120 1 6 . 1 1 863 863 ARG N N 863 117.226 117.226 115.192 2.034 25870 4121 1 6 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.747 -0.473 25870 4122 1 6 . 1 1 863 863 ARG CA C 863 56.051 56.051 55.151 0.900 25870 4123 1 6 . 1 1 863 863 ARG CB C 863 31.389 31.389 31.055 0.334 25870 4124 1 6 . 1 1 863 863 ARG H H 863 7.358 7.358 7.570 -0.212 25870 4125 1 6 . 1 1 864 864 MET N N 864 117.583 117.583 118.859 -1.276 25870 4126 1 6 . 1 1 864 864 MET HA H 864 4.561 4.561 4.521 0.040 25870 4127 1 6 . 1 1 864 864 MET CA C 864 54.927 54.927 55.440 -0.513 25870 4128 1 6 . 1 1 864 864 MET CB C 864 37.418 37.418 34.681 2.737 25870 4129 1 6 . 1 1 864 864 MET H H 864 7.153 7.153 7.369 -0.216 25870 4130 1 6 . 1 1 865 865 ALA N N 865 124.643 124.643 124.424 0.219 25870 4131 1 6 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.846 -0.980 25870 4132 1 6 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.136 0.058 25870 4133 1 6 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.682 -0.035 25870 4134 1 6 . 1 1 865 865 ALA H H 865 8.557 8.557 8.240 0.317 25870 4135 1 6 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.548 -0.052 25870 4136 1 6 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.822 -0.098 25870 4137 1 6 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.456 1.524 25870 4138 1 6 . 1 1 867 867 TYR N N 867 122.461 122.461 126.694 -4.233 25870 4139 1 6 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.467 0.261 25870 4140 1 6 . 1 1 867 867 TYR CA C 867 57.096 57.096 56.225 0.871 25870 4141 1 6 . 1 1 867 867 TYR CB C 867 39.175 39.175 37.821 1.354 25870 4142 1 6 . 1 1 867 867 TYR H H 867 8.128 8.128 8.175 -0.047 25870 4143 1 6 . 1 1 868 868 THR HA H 868 4.351 4.351 4.641 -0.290 25870 4144 1 6 . 1 1 868 868 THR CA C 868 60.271 60.271 60.468 -0.197 25870 4145 1 6 . 1 1 868 868 THR CB C 868 68.737 68.737 69.533 -0.796 25870 4146 1 6 . 1 1 869 869 GLY CA C 869 44.914 44.914 42.111 2.803 25870 4147 1 6 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.396 -0.067 25870 4148 1 6 . 1 1 870 870 PRO CA C 870 64.697 64.697 63.938 0.759 25870 4149 1 6 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.214 -0.635 25870 4150 1 6 . 1 1 871 871 ASP N N 871 116.207 116.207 116.871 -0.664 25870 4151 1 6 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.582 0.022 25870 4152 1 6 . 1 1 871 871 ASP CA C 871 52.749 52.749 54.085 -1.336 25870 4153 1 6 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.385 -1.456 25870 4154 1 6 . 1 1 871 871 ASP H H 871 9.267 9.267 8.355 0.912 25870 4155 1 6 . 1 1 872 872 SER N N 872 112.349 112.349 115.327 -2.978 25870 4156 1 6 . 1 1 872 872 SER HA H 872 3.497 3.497 4.577 -1.080 25870 4157 1 6 . 1 1 872 872 SER CA C 872 59.065 59.065 57.621 1.444 25870 4158 1 6 . 1 1 872 872 SER CB C 872 63.125 63.125 65.709 -2.584 25870 4159 1 6 . 1 1 872 872 SER H H 872 7.487 7.487 7.389 0.098 25870 4160 1 6 . 1 1 873 873 VAL N N 873 113.567 113.567 114.315 -0.748 25870 4161 1 6 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.586 0.143 25870 4162 1 6 . 1 1 873 873 VAL CA C 873 58.044 58.044 58.180 -0.136 25870 4163 1 6 . 1 1 873 873 VAL CB C 873 32.911 32.911 32.385 0.526 25870 4164 1 6 . 1 1 873 873 VAL H H 873 6.411 6.411 8.097 -1.686 25870 4165 1 6 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.414 -0.118 25870 4166 1 6 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.886 0.449 25870 4167 1 6 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.863 -0.348 25870 4168 1 6 . 1 1 875 875 GLY N N 875 112.118 112.118 107.290 4.828 25870 4169 1 6 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.312 1.245 25870 4170 1 6 . 1 1 875 875 GLY H H 875 8.800 8.800 8.149 0.651 25870 4171 1 6 . 1 1 876 876 ALA N N 876 120.262 120.262 123.971 -3.709 25870 4172 1 6 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.570 -1.470 25870 4173 1 6 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.230 2.843 25870 4174 1 6 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.728 -1.220 25870 4175 1 6 . 1 1 876 876 ALA H H 876 7.762 7.762 7.658 0.104 25870 4176 1 6 . 1 1 877 877 LEU N N 877 125.695 125.695 120.978 4.717 25870 4177 1 6 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.188 -0.412 25870 4178 1 6 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.808 0.461 25870 4179 1 6 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.066 -2.267 25870 4180 1 6 . 1 1 877 877 LEU H H 877 9.595 9.595 9.291 0.304 25870 4181 1 6 . 1 1 878 878 ASP N N 878 119.823 119.823 122.008 -2.185 25870 4182 1 6 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.515 0.364 25870 4183 1 6 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.521 -0.524 25870 4184 1 6 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.329 -0.548 25870 4185 1 6 . 1 1 878 878 ASP H H 878 9.031 9.031 8.187 0.844 25870 4186 1 6 . 1 1 879 879 TYR N N 879 126.556 126.556 124.707 1.849 25870 4187 1 6 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.228 0.363 25870 4188 1 6 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.966 -0.570 25870 4189 1 6 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.721 -0.400 25870 4190 1 6 . 1 1 879 879 TYR H H 879 7.456 7.456 7.960 -0.504 25870 4191 1 6 . 1 1 880 880 MET N N 880 119.958 119.958 115.163 4.795 25870 4192 1 6 . 1 1 880 880 MET HA H 880 4.605 4.605 4.817 -0.212 25870 4193 1 6 . 1 1 880 880 MET CA C 880 56.044 56.044 57.409 -1.365 25870 4194 1 6 . 1 1 880 880 MET CB C 880 30.101 30.101 33.320 -3.219 25870 4195 1 6 . 1 1 880 880 MET H H 880 7.627 7.627 7.532 0.095 25870 4196 1 6 . 1 1 881 881 SER N N 881 114.328 114.328 115.987 -1.659 25870 4197 1 6 . 1 1 881 881 SER HA H 881 4.471 4.471 4.629 -0.158 25870 4198 1 6 . 1 1 881 881 SER CA C 881 58.917 58.917 57.290 1.627 25870 4199 1 6 . 1 1 881 881 SER CB C 881 64.447 64.447 63.646 0.801 25870 4200 1 6 . 1 1 881 881 SER H H 881 7.726 7.726 8.268 -0.542 25870 4201 1 6 . 1 1 882 882 PHE N N 882 122.735 122.735 119.512 3.223 25870 4202 1 6 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.432 0.290 25870 4203 1 6 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.275 1.956 25870 4204 1 6 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.121 1.164 25870 4205 1 6 . 1 1 882 882 PHE H H 882 7.385 7.385 7.456 -0.071 25870 4206 1 6 . 1 1 883 883 SER N N 883 120.156 120.156 116.416 3.740 25870 4207 1 6 . 1 1 883 883 SER HA H 883 4.299 4.299 4.358 -0.059 25870 4208 1 6 . 1 1 883 883 SER CA C 883 57.280 57.280 58.887 -1.607 25870 4209 1 6 . 1 1 883 883 SER CB C 883 64.601 64.601 63.980 0.621 25870 4210 1 6 . 1 1 883 883 SER H H 883 7.472 7.472 8.128 -0.656 25870 4211 1 6 . 1 1 884 884 THR N N 884 110.683 110.683 114.248 -3.565 25870 4212 1 6 . 1 1 884 884 THR HA H 884 3.966 3.966 4.178 -0.212 25870 4213 1 6 . 1 1 884 884 THR CA C 884 63.465 63.465 62.154 1.311 25870 4214 1 6 . 1 1 884 884 THR CB C 884 68.899 68.899 68.586 0.313 25870 4215 1 6 . 1 1 884 884 THR H H 884 7.996 7.996 8.171 -0.175 25870 4216 1 6 . 1 1 885 885 ALA N N 885 125.456 125.456 123.053 2.403 25870 4217 1 6 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.516 -0.280 25870 4218 1 6 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.133 0.897 25870 4219 1 6 . 1 1 885 885 ALA CB C 885 19.225 19.225 20.795 -1.570 25870 4220 1 6 . 1 1 885 885 ALA H H 885 7.905 7.905 7.294 0.611 25870 4221 1 6 . 1 1 886 886 LEU N N 886 120.638 120.638 122.670 -2.032 25870 4222 1 6 . 1 1 886 886 LEU HA H 886 4.002 4.002 4.236 -0.234 25870 4223 1 6 . 1 1 886 886 LEU CA C 886 55.462 55.462 55.028 0.435 25870 4224 1 6 . 1 1 886 886 LEU CB C 886 42.265 42.265 42.205 0.061 25870 4225 1 6 . 1 1 886 886 LEU H H 886 8.079 8.079 8.390 -0.311 25870 4226 1 6 . 1 1 887 887 TYR N N 887 121.526 121.526 122.954 -1.428 25870 4227 1 6 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.092 0.264 25870 4228 1 6 . 1 1 887 887 TYR CA C 887 58.750 58.750 59.303 -0.553 25870 4229 1 6 . 1 1 887 887 TYR CB C 887 38.569 38.569 37.318 1.251 25870 4230 1 6 . 1 1 887 887 TYR H H 887 8.267 8.267 8.379 -0.112 25870 4231 1 6 . 1 1 888 888 GLY N N 888 112.379 112.379 108.424 3.955 25870 4232 1 6 . 1 1 888 888 GLY CA C 888 45.090 45.090 45.374 -0.284 25870 4233 1 6 . 1 1 888 888 GLY H H 888 8.087 8.087 7.760 0.327 25870 4234 1 6 . 1 1 889 889 GLU N N 889 120.255 120.255 119.942 0.313 25870 4235 1 6 . 1 1 889 889 GLU HA H 889 4.256 4.256 5.067 -0.811 25870 4236 1 6 . 1 1 889 889 GLU CA C 889 56.445 56.445 55.685 0.760 25870 4237 1 6 . 1 1 889 889 GLU CB C 889 30.393 30.393 32.131 -1.738 25870 4238 1 6 . 1 1 889 889 GLU H H 889 7.994 7.994 8.648 -0.654 25870 4239 1 6 . 1 1 890 890 SER N N 890 116.375 116.375 116.447 -0.072 25870 4240 1 6 . 1 1 890 890 SER HA H 890 4.415 4.415 4.731 -0.316 25870 4241 1 6 . 1 1 890 890 SER CA C 890 58.204 58.204 58.022 0.182 25870 4242 1 6 . 1 1 890 890 SER CB C 890 63.913 63.913 64.794 -0.881 25870 4243 1 6 . 1 1 890 890 SER H H 890 8.329 8.329 8.466 -0.137 25870 4244 1 6 . 1 1 891 891 ASP N N 891 123.017 123.017 120.025 2.992 25870 4245 1 6 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.457 0.153 25870 4246 1 6 . 1 1 891 891 ASP CA C 891 54.371 54.371 55.260 -0.889 25870 4247 1 6 . 1 1 891 891 ASP CB C 891 41.013 41.013 39.561 1.452 25870 4248 1 6 . 1 1 891 891 ASP H H 891 8.394 8.394 8.466 -0.072 25870 4249 1 7 . 1 1 742 742 SER HA H 742 4.525 4.525 4.653 -0.128 25870 4250 1 7 . 1 1 742 742 SER CA C 742 58.148 58.148 57.971 0.177 25870 4251 1 7 . 1 1 742 742 SER CB C 742 63.791 63.791 63.603 0.188 25870 4252 1 7 . 1 1 743 743 ILE N N 743 122.172 122.172 122.845 -0.673 25870 4253 1 7 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.026 0.336 25870 4254 1 7 . 1 1 743 743 ILE CA C 743 60.421 60.421 62.196 -1.775 25870 4255 1 7 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.736 0.430 25870 4256 1 7 . 1 1 743 743 ILE H H 743 8.132 8.132 8.245 -0.113 25870 4257 1 7 . 1 1 744 744 SER N N 744 123.144 123.144 122.460 0.684 25870 4258 1 7 . 1 1 744 744 SER HA H 744 4.449 4.449 4.689 -0.240 25870 4259 1 7 . 1 1 744 744 SER CA C 744 57.463 57.463 57.380 0.083 25870 4260 1 7 . 1 1 744 744 SER CB C 744 65.219 65.219 65.956 -0.737 25870 4261 1 7 . 1 1 744 744 SER H H 744 8.848 8.848 8.241 0.607 25870 4262 1 7 . 1 1 745 745 GLN N N 745 121.619 121.619 121.124 0.495 25870 4263 1 7 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.155 -0.203 25870 4264 1 7 . 1 1 745 745 GLN CA C 745 58.768 58.768 58.972 -0.204 25870 4265 1 7 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.646 -0.135 25870 4266 1 7 . 1 1 745 745 GLN H H 745 9.042 9.042 9.136 -0.094 25870 4267 1 7 . 1 1 746 746 GLU N N 746 118.648 118.648 119.385 -0.737 25870 4268 1 7 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.195 -0.191 25870 4269 1 7 . 1 1 746 746 GLU CA C 746 60.223 60.223 59.099 1.125 25870 4270 1 7 . 1 1 746 746 GLU CB C 746 28.854 28.854 28.949 -0.095 25870 4271 1 7 . 1 1 746 746 GLU H H 746 8.721 8.721 8.451 0.270 25870 4272 1 7 . 1 1 747 747 GLN N N 747 120.463 120.463 120.510 -0.047 25870 4273 1 7 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.123 -0.357 25870 4274 1 7 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.754 -0.448 25870 4275 1 7 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.611 0.337 25870 4276 1 7 . 1 1 747 747 GLN H H 747 7.838 7.838 8.465 -0.627 25870 4277 1 7 . 1 1 748 748 MET N N 748 119.252 119.252 115.360 3.892 25870 4278 1 7 . 1 1 748 748 MET HA H 748 4.200 4.200 4.471 -0.271 25870 4279 1 7 . 1 1 748 748 MET CA C 748 58.096 58.096 59.175 -1.079 25870 4280 1 7 . 1 1 748 748 MET CB C 748 30.900 30.900 32.384 -1.484 25870 4281 1 7 . 1 1 748 748 MET H H 748 8.473 8.473 8.061 0.412 25870 4282 1 7 . 1 1 749 749 ASN N N 749 117.740 117.740 118.246 -0.506 25870 4283 1 7 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.525 -0.051 25870 4284 1 7 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.536 0.259 25870 4285 1 7 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.698 -1.285 25870 4286 1 7 . 1 1 749 749 ASN H H 749 8.334 8.334 7.676 0.658 25870 4287 1 7 . 1 1 750 750 GLU N N 750 122.848 122.848 118.432 4.416 25870 4288 1 7 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.181 0.023 25870 4289 1 7 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.109 1.232 25870 4290 1 7 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.878 -0.694 25870 4291 1 7 . 1 1 750 750 GLU H H 750 7.838 7.838 8.349 -0.511 25870 4292 1 7 . 1 1 751 751 PHE N N 751 120.177 120.177 123.040 -2.863 25870 4293 1 7 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.375 0.646 25870 4294 1 7 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.394 -1.041 25870 4295 1 7 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.403 -1.606 25870 4296 1 7 . 1 1 751 751 PHE H H 751 8.785 8.785 8.609 0.176 25870 4297 1 7 . 1 1 752 752 ARG N N 752 120.528 120.528 120.046 0.482 25870 4298 1 7 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.885 0.275 25870 4299 1 7 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.348 1.356 25870 4300 1 7 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.664 1.304 25870 4301 1 7 . 1 1 752 752 ARG H H 752 9.016 9.016 7.996 1.020 25870 4302 1 7 . 1 1 753 753 ALA N N 753 121.112 121.112 122.570 -1.458 25870 4303 1 7 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.414 -0.169 25870 4304 1 7 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.495 0.836 25870 4305 1 7 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.829 -0.006 25870 4306 1 7 . 1 1 753 753 ALA H H 753 8.100 8.100 7.896 0.204 25870 4307 1 7 . 1 1 754 754 SER N N 754 115.589 115.589 115.059 0.530 25870 4308 1 7 . 1 1 754 754 SER HA H 754 4.452 4.452 4.257 0.195 25870 4309 1 7 . 1 1 754 754 SER CA C 754 62.675 62.675 59.932 2.743 25870 4310 1 7 . 1 1 754 754 SER CB C 754 63.359 63.359 62.782 0.577 25870 4311 1 7 . 1 1 754 754 SER H H 754 8.391 8.391 7.887 0.504 25870 4312 1 7 . 1 1 755 755 PHE N N 755 121.886 121.886 118.677 3.209 25870 4313 1 7 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.945 -0.303 25870 4314 1 7 . 1 1 755 755 PHE CA C 755 61.964 61.964 58.836 3.128 25870 4315 1 7 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.526 1.296 25870 4316 1 7 . 1 1 755 755 PHE H H 755 8.675 8.675 7.588 1.087 25870 4317 1 7 . 1 1 756 756 ASN N N 756 113.618 113.618 113.033 0.585 25870 4318 1 7 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.152 0.275 25870 4319 1 7 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.302 3.309 25870 4320 1 7 . 1 1 756 756 ASN CB C 756 37.838 37.838 39.013 -1.175 25870 4321 1 7 . 1 1 756 756 ASN H H 756 8.593 8.593 7.652 0.941 25870 4322 1 7 . 1 1 757 757 HIS N N 757 119.679 119.679 121.082 -1.403 25870 4323 1 7 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.281 -0.202 25870 4324 1 7 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.481 0.863 25870 4325 1 7 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.209 -0.320 25870 4326 1 7 . 1 1 757 757 HIS H H 757 8.139 8.139 7.662 0.477 25870 4327 1 7 . 1 1 758 758 PHE N N 758 113.051 113.051 116.629 -3.578 25870 4328 1 7 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.397 -0.336 25870 4329 1 7 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.129 2.568 25870 4330 1 7 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.398 -1.663 25870 4331 1 7 . 1 1 758 758 PHE H H 758 7.585 7.585 7.486 0.099 25870 4332 1 7 . 1 1 759 759 ASP N N 759 120.916 120.916 121.455 -0.539 25870 4333 1 7 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.436 0.073 25870 4334 1 7 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.913 -2.742 25870 4335 1 7 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.601 -2.592 25870 4336 1 7 . 1 1 759 759 ASP H H 759 7.423 7.423 7.840 -0.417 25870 4337 1 7 . 1 1 760 760 ARG N N 760 124.819 124.819 126.594 -1.775 25870 4338 1 7 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.056 -0.288 25870 4339 1 7 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.716 -0.441 25870 4340 1 7 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.617 -0.368 25870 4341 1 7 . 1 1 760 760 ARG H H 760 7.781 7.781 8.212 -0.431 25870 4342 1 7 . 1 1 761 761 ASP N N 761 113.673 113.673 112.764 0.909 25870 4343 1 7 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.719 -0.236 25870 4344 1 7 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.289 -1.312 25870 4345 1 7 . 1 1 761 761 ASP CB C 761 39.522 39.522 41.163 -1.641 25870 4346 1 7 . 1 1 761 761 ASP H H 761 7.821 7.821 7.989 -0.168 25870 4347 1 7 . 1 1 762 762 HIS N N 762 114.966 114.966 116.893 -1.927 25870 4348 1 7 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.203 -0.042 25870 4349 1 7 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.744 -0.126 25870 4350 1 7 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.634 -2.254 25870 4351 1 7 . 1 1 762 762 HIS H H 762 7.744 7.744 7.983 -0.239 25870 4352 1 7 . 1 1 763 763 SER N N 763 115.077 115.077 113.406 1.671 25870 4353 1 7 . 1 1 763 763 SER HA H 763 4.336 4.336 4.350 -0.014 25870 4354 1 7 . 1 1 763 763 SER CA C 763 59.860 59.860 59.215 0.645 25870 4355 1 7 . 1 1 763 763 SER CB C 763 65.192 65.192 64.290 0.902 25870 4356 1 7 . 1 1 763 763 SER H H 763 8.726 8.726 7.985 0.741 25870 4357 1 7 . 1 1 764 764 GLY N N 764 116.915 116.915 110.215 6.700 25870 4358 1 7 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.651 -0.202 25870 4359 1 7 . 1 1 764 764 GLY H H 764 11.017 11.017 8.663 2.354 25870 4360 1 7 . 1 1 765 765 THR N N 765 107.334 107.334 110.669 -3.335 25870 4361 1 7 . 1 1 765 765 THR HA H 765 4.829 4.829 5.214 -0.385 25870 4362 1 7 . 1 1 765 765 THR CA C 765 58.759 58.759 60.820 -2.061 25870 4363 1 7 . 1 1 765 765 THR CB C 765 73.383 73.383 71.924 1.459 25870 4364 1 7 . 1 1 765 765 THR H H 765 7.693 7.693 8.084 -0.391 25870 4365 1 7 . 1 1 766 766 LEU N N 766 124.664 124.664 124.778 -0.114 25870 4366 1 7 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.839 0.061 25870 4367 1 7 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.832 -1.493 25870 4368 1 7 . 1 1 766 766 LEU CB C 766 42.339 42.339 42.914 -0.576 25870 4369 1 7 . 1 1 766 766 LEU H H 766 9.209 9.209 8.769 0.440 25870 4370 1 7 . 1 1 767 767 GLY N N 767 112.024 112.024 112.136 -0.112 25870 4371 1 7 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.936 0.187 25870 4372 1 7 . 1 1 767 767 GLY H H 767 8.910 8.910 9.101 -0.191 25870 4373 1 7 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.565 -0.247 25870 4374 1 7 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.063 1.064 25870 4375 1 7 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.125 -0.096 25870 4376 1 7 . 1 1 769 769 GLU N N 769 115.246 115.246 117.852 -2.606 25870 4377 1 7 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.144 -0.173 25870 4378 1 7 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.963 0.658 25870 4379 1 7 . 1 1 769 769 GLU CB C 769 28.628 28.628 29.105 -0.477 25870 4380 1 7 . 1 1 769 769 GLU H H 769 8.622 8.622 8.999 -0.377 25870 4381 1 7 . 1 1 770 770 GLU N N 770 121.127 121.127 118.285 2.842 25870 4382 1 7 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.247 0.025 25870 4383 1 7 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.344 0.153 25870 4384 1 7 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.898 1.474 25870 4385 1 7 . 1 1 770 770 GLU H H 770 7.493 7.493 8.003 -0.510 25870 4386 1 7 . 1 1 771 771 PHE N N 771 117.688 117.688 122.089 -4.401 25870 4387 1 7 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.273 0.082 25870 4388 1 7 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.681 -2.057 25870 4389 1 7 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.468 -0.658 25870 4390 1 7 . 1 1 771 771 PHE H H 771 9.110 9.110 8.937 0.173 25870 4391 1 7 . 1 1 772 772 LYS N N 772 119.789 119.789 118.583 1.206 25870 4392 1 7 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.676 -0.363 25870 4393 1 7 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.302 2.370 25870 4394 1 7 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.843 1.136 25870 4395 1 7 . 1 1 772 772 LYS H H 772 8.594 8.594 7.985 0.609 25870 4396 1 7 . 1 1 773 773 ALA N N 773 118.461 118.461 120.619 -2.158 25870 4397 1 7 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.021 -0.140 25870 4398 1 7 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.793 1.220 25870 4399 1 7 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.978 -1.349 25870 4400 1 7 . 1 1 773 773 ALA H H 773 7.231 7.231 7.515 -0.284 25870 4401 1 7 . 1 1 774 774 CYS N N 774 120.913 120.913 119.265 1.648 25870 4402 1 7 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.726 -0.291 25870 4403 1 7 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.407 -0.233 25870 4404 1 7 . 1 1 774 774 CYS CB C 774 26.215 26.215 26.322 -0.107 25870 4405 1 7 . 1 1 774 774 CYS H H 774 7.498 7.498 7.781 -0.283 25870 4406 1 7 . 1 1 775 775 LEU N N 775 119.201 119.201 118.647 0.554 25870 4407 1 7 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.545 0.222 25870 4408 1 7 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.266 1.666 25870 4409 1 7 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.018 -0.068 25870 4410 1 7 . 1 1 775 775 LEU H H 775 8.372 8.372 7.627 0.745 25870 4411 1 7 . 1 1 776 776 ILE N N 776 121.051 121.051 118.479 2.572 25870 4412 1 7 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.425 1.665 25870 4413 1 7 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.346 0.898 25870 4414 1 7 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.175 0.817 25870 4415 1 7 . 1 1 776 776 ILE H H 776 8.358 8.358 6.721 1.637 25870 4416 1 7 . 1 1 777 777 SER N N 777 119.109 119.109 113.896 5.213 25870 4417 1 7 . 1 1 777 777 SER HA H 777 4.291 4.291 4.228 0.063 25870 4418 1 7 . 1 1 777 777 SER CA C 777 61.725 61.725 60.371 1.354 25870 4419 1 7 . 1 1 777 777 SER CB C 777 62.995 62.995 63.067 -0.072 25870 4420 1 7 . 1 1 777 777 SER H H 777 7.822 7.822 7.374 0.448 25870 4421 1 7 . 1 1 778 778 LEU N N 778 121.208 121.208 118.064 3.144 25870 4422 1 7 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.362 0.144 25870 4423 1 7 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.649 1.350 25870 4424 1 7 . 1 1 778 778 LEU CB C 778 42.670 42.670 41.841 0.829 25870 4425 1 7 . 1 1 778 778 LEU H H 778 7.671 7.671 7.001 0.670 25870 4426 1 7 . 1 1 779 779 GLY N N 779 106.232 106.232 107.288 -1.056 25870 4427 1 7 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.521 -0.234 25870 4428 1 7 . 1 1 779 779 GLY H H 779 7.897 7.897 7.273 0.624 25870 4429 1 7 . 1 1 780 780 TYR N N 780 120.772 120.772 118.296 2.476 25870 4430 1 7 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.425 -0.283 25870 4431 1 7 . 1 1 780 780 TYR CA C 780 59.231 59.231 54.796 4.435 25870 4432 1 7 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.201 0.140 25870 4433 1 7 . 1 1 780 780 TYR H H 780 8.072 8.072 7.383 0.689 25870 4434 1 7 . 1 1 781 781 ASP N N 781 124.304 124.304 119.333 4.971 25870 4435 1 7 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.626 0.039 25870 4436 1 7 . 1 1 781 781 ASP CA C 781 53.148 53.148 54.857 -1.709 25870 4437 1 7 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.941 -1.137 25870 4438 1 7 . 1 1 781 781 ASP H H 781 8.862 8.862 9.208 -0.346 25870 4439 1 7 . 1 1 782 782 ILE N N 782 122.271 122.271 112.095 10.176 25870 4440 1 7 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.394 -0.053 25870 4441 1 7 . 1 1 782 782 ILE CA C 782 58.992 58.992 58.755 0.237 25870 4442 1 7 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.531 -2.624 25870 4443 1 7 . 1 1 782 782 ILE H H 782 7.344 7.344 6.942 0.402 25870 4444 1 7 . 1 1 783 783 GLY N N 783 112.322 112.322 105.909 6.413 25870 4445 1 7 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.425 0.098 25870 4446 1 7 . 1 1 783 783 GLY H H 783 8.122 8.122 8.078 0.044 25870 4447 1 7 . 1 1 784 784 ASN N N 784 118.727 118.727 117.640 1.087 25870 4448 1 7 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.611 0.271 25870 4449 1 7 . 1 1 784 784 ASN CA C 784 52.098 52.098 52.944 -0.846 25870 4450 1 7 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.772 -1.348 25870 4451 1 7 . 1 1 784 784 ASN H H 784 8.452 8.452 8.646 -0.194 25870 4452 1 7 . 1 1 785 785 ASP N N 785 119.826 119.826 120.553 -0.727 25870 4453 1 7 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.745 0.033 25870 4454 1 7 . 1 1 785 785 ASP CA C 785 52.164 52.164 52.056 0.108 25870 4455 1 7 . 1 1 785 785 ASP CB C 785 39.657 39.657 42.093 -2.436 25870 4456 1 7 . 1 1 785 785 ASP H H 785 8.145 8.145 7.747 0.398 25870 4457 1 7 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.271 0.000 25870 4458 1 7 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.087 1.178 25870 4459 1 7 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.082 -0.071 25870 4460 1 7 . 1 1 787 787 GLN N N 787 118.097 118.097 116.832 1.265 25870 4461 1 7 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.227 -0.086 25870 4462 1 7 . 1 1 787 787 GLN CA C 787 59.115 59.115 57.939 1.176 25870 4463 1 7 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.377 -0.645 25870 4464 1 7 . 1 1 787 787 GLN H H 787 8.409 8.409 9.046 -0.637 25870 4465 1 7 . 1 1 788 788 GLY N N 788 113.421 113.421 108.455 4.966 25870 4466 1 7 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.942 0.375 25870 4467 1 7 . 1 1 788 788 GLY H H 788 8.644 8.644 7.853 0.791 25870 4468 1 7 . 1 1 789 789 GLU N N 789 121.223 121.223 121.212 0.011 25870 4469 1 7 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.277 -0.129 25870 4470 1 7 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.254 0.090 25870 4471 1 7 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.426 0.009 25870 4472 1 7 . 1 1 789 789 GLU H H 789 8.514 8.514 8.698 -0.184 25870 4473 1 7 . 1 1 790 790 ALA N N 790 122.879 122.879 122.601 0.278 25870 4474 1 7 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.215 0.032 25870 4475 1 7 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.116 -0.209 25870 4476 1 7 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.451 -0.671 25870 4477 1 7 . 1 1 790 790 ALA H H 790 8.024 8.024 7.652 0.372 25870 4478 1 7 . 1 1 791 791 GLU N N 791 122.622 122.622 119.086 3.536 25870 4479 1 7 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.131 0.556 25870 4480 1 7 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.427 -0.293 25870 4481 1 7 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.455 -0.394 25870 4482 1 7 . 1 1 791 791 GLU H H 791 8.280 8.280 7.929 0.351 25870 4483 1 7 . 1 1 792 792 PHE N N 792 119.949 119.949 121.113 -1.164 25870 4484 1 7 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.249 -0.211 25870 4485 1 7 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.214 0.598 25870 4486 1 7 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.616 -0.018 25870 4487 1 7 . 1 1 792 792 PHE H H 792 8.722 8.722 8.650 0.072 25870 4488 1 7 . 1 1 793 793 ALA N N 793 119.652 119.652 121.776 -2.124 25870 4489 1 7 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.384 0.470 25870 4490 1 7 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.550 0.352 25870 4491 1 7 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.837 -0.208 25870 4492 1 7 . 1 1 793 793 ALA H H 793 8.163 8.163 7.754 0.409 25870 4493 1 7 . 1 1 794 794 ARG N N 794 121.092 121.092 119.442 1.650 25870 4494 1 7 . 1 1 794 794 ARG HA H 794 3.910 3.910 4.019 -0.110 25870 4495 1 7 . 1 1 794 794 ARG CA C 794 59.471 59.471 58.911 0.560 25870 4496 1 7 . 1 1 794 794 ARG CB C 794 30.092 30.092 29.871 0.221 25870 4497 1 7 . 1 1 794 794 ARG H H 794 8.034 8.034 7.804 0.230 25870 4498 1 7 . 1 1 795 795 ILE N N 795 121.394 121.394 120.357 1.037 25870 4499 1 7 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.802 -0.414 25870 4500 1 7 . 1 1 795 795 ILE CA C 795 65.848 65.848 64.942 0.906 25870 4501 1 7 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.300 -0.091 25870 4502 1 7 . 1 1 795 795 ILE H H 795 8.049 8.049 7.840 0.209 25870 4503 1 7 . 1 1 796 796 MET N N 796 119.012 119.012 119.136 -0.124 25870 4504 1 7 . 1 1 796 796 MET HA H 796 4.155 4.155 3.971 0.183 25870 4505 1 7 . 1 1 796 796 MET CA C 796 56.470 56.470 57.974 -1.504 25870 4506 1 7 . 1 1 796 796 MET CB C 796 29.892 29.892 31.410 -1.518 25870 4507 1 7 . 1 1 796 796 MET H H 796 8.589 8.589 8.252 0.337 25870 4508 1 7 . 1 1 797 797 SER N N 797 114.132 114.132 112.836 1.296 25870 4509 1 7 . 1 1 797 797 SER HA H 797 4.097 4.097 4.214 -0.117 25870 4510 1 7 . 1 1 797 797 SER CA C 797 61.231 61.231 60.332 0.899 25870 4511 1 7 . 1 1 797 797 SER CB C 797 62.895 62.895 63.531 -0.636 25870 4512 1 7 . 1 1 797 797 SER H H 797 7.732 7.732 7.714 0.018 25870 4513 1 7 . 1 1 798 798 ILE N N 798 120.873 120.873 116.170 4.703 25870 4514 1 7 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.190 -0.372 25870 4515 1 7 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.033 0.842 25870 4516 1 7 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.713 0.150 25870 4517 1 7 . 1 1 798 798 ILE H H 798 7.352 7.352 7.753 -0.401 25870 4518 1 7 . 1 1 799 799 VAL N N 799 110.552 110.552 113.145 -2.593 25870 4519 1 7 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.066 0.177 25870 4520 1 7 . 1 1 799 799 VAL CA C 799 62.616 62.616 60.771 1.845 25870 4521 1 7 . 1 1 799 799 VAL CB C 799 32.416 32.416 30.778 1.638 25870 4522 1 7 . 1 1 799 799 VAL H H 799 7.648 7.648 7.908 -0.260 25870 4523 1 7 . 1 1 800 800 ASP N N 800 119.435 119.435 119.940 -0.505 25870 4524 1 7 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.100 0.125 25870 4525 1 7 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.051 1.664 25870 4526 1 7 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.337 -0.251 25870 4527 1 7 . 1 1 800 800 ASP H H 800 8.074 8.074 7.550 0.524 25870 4528 1 7 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.395 -0.064 25870 4529 1 7 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.994 0.825 25870 4530 1 7 . 1 1 801 801 PRO CB C 801 31.689 31.689 32.065 -0.376 25870 4531 1 7 . 1 1 802 802 ASN N N 802 115.164 115.164 116.449 -1.285 25870 4532 1 7 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.713 0.047 25870 4533 1 7 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.986 0.012 25870 4534 1 7 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.235 -1.283 25870 4535 1 7 . 1 1 802 802 ASN H H 802 8.949 8.949 7.823 1.126 25870 4536 1 7 . 1 1 803 803 ARG N N 803 117.446 117.446 116.426 1.020 25870 4537 1 7 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.214 -0.384 25870 4538 1 7 . 1 1 803 803 ARG CA C 803 56.888 56.888 57.061 -0.173 25870 4539 1 7 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.201 -0.847 25870 4540 1 7 . 1 1 803 803 ARG H H 803 7.958 7.958 7.766 0.192 25870 4541 1 7 . 1 1 804 804 LEU N N 804 123.307 123.307 115.261 8.046 25870 4542 1 7 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.695 -0.539 25870 4543 1 7 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.612 1.761 25870 4544 1 7 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.876 1.054 25870 4545 1 7 . 1 1 804 804 LEU H H 804 10.591 10.591 8.196 2.395 25870 4546 1 7 . 1 1 805 805 GLY N N 805 110.516 110.516 107.586 2.930 25870 4547 1 7 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.811 -0.867 25870 4548 1 7 . 1 1 805 805 GLY H H 805 11.001 11.001 8.606 2.395 25870 4549 1 7 . 1 1 806 806 VAL N N 806 109.840 109.840 114.872 -5.032 25870 4550 1 7 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.403 0.168 25870 4551 1 7 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.590 -1.024 25870 4552 1 7 . 1 1 806 806 VAL CB C 806 36.853 36.853 34.624 2.228 25870 4553 1 7 . 1 1 806 806 VAL H H 806 6.831 6.831 7.269 -0.438 25870 4554 1 7 . 1 1 807 807 VAL N N 807 122.184 122.184 122.786 -0.602 25870 4555 1 7 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.344 -0.177 25870 4556 1 7 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.111 1.533 25870 4557 1 7 . 1 1 807 807 VAL CB C 807 32.383 32.383 30.983 1.400 25870 4558 1 7 . 1 1 807 807 VAL H H 807 9.007 9.007 8.787 0.220 25870 4559 1 7 . 1 1 808 808 THR N N 808 117.391 117.391 117.053 0.338 25870 4560 1 7 . 1 1 808 808 THR HA H 808 4.593 4.593 4.594 -0.001 25870 4561 1 7 . 1 1 808 808 THR CA C 808 60.615 60.615 59.246 1.369 25870 4562 1 7 . 1 1 808 808 THR CB C 808 70.695 70.695 71.015 -0.320 25870 4563 1 7 . 1 1 808 808 THR H H 808 7.925 7.925 7.830 0.095 25870 4564 1 7 . 1 1 809 809 PHE N N 809 122.236 122.236 117.995 4.241 25870 4565 1 7 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.461 -0.821 25870 4566 1 7 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.612 0.137 25870 4567 1 7 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.469 0.707 25870 4568 1 7 . 1 1 809 809 PHE H H 809 9.349 9.349 8.263 1.086 25870 4569 1 7 . 1 1 810 810 GLN N N 810 116.788 116.788 117.268 -0.480 25870 4570 1 7 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.205 -0.607 25870 4571 1 7 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.800 0.782 25870 4572 1 7 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.417 -0.218 25870 4573 1 7 . 1 1 810 810 GLN H H 810 8.572 8.572 7.886 0.686 25870 4574 1 7 . 1 1 811 811 ALA N N 811 121.208 121.208 122.133 -0.925 25870 4575 1 7 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.168 -0.049 25870 4576 1 7 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.824 1.087 25870 4577 1 7 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.750 0.515 25870 4578 1 7 . 1 1 811 811 ALA H H 811 7.667 7.667 7.608 0.059 25870 4579 1 7 . 1 1 812 812 PHE N N 812 119.805 119.805 118.843 0.962 25870 4580 1 7 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.369 -0.389 25870 4581 1 7 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.100 -0.360 25870 4582 1 7 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.719 0.951 25870 4583 1 7 . 1 1 812 812 PHE H H 812 8.400 8.400 8.369 0.031 25870 4584 1 7 . 1 1 813 813 ILE N N 813 118.098 118.098 118.574 -0.476 25870 4585 1 7 . 1 1 813 813 ILE HA H 813 3.146 3.146 4.033 -0.887 25870 4586 1 7 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.527 0.772 25870 4587 1 7 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.387 -0.185 25870 4588 1 7 . 1 1 813 813 ILE H H 813 8.364 8.364 7.809 0.555 25870 4589 1 7 . 1 1 814 814 ASP N N 814 123.528 123.528 120.438 3.090 25870 4590 1 7 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.372 -0.176 25870 4591 1 7 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.263 0.417 25870 4592 1 7 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.815 -0.579 25870 4593 1 7 . 1 1 814 814 ASP H H 814 8.221 8.221 7.853 0.368 25870 4594 1 7 . 1 1 815 815 PHE N N 815 120.584 120.584 118.457 2.127 25870 4595 1 7 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.479 -0.350 25870 4596 1 7 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.602 0.481 25870 4597 1 7 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.732 -0.034 25870 4598 1 7 . 1 1 815 815 PHE H H 815 7.887 7.887 7.812 0.075 25870 4599 1 7 . 1 1 816 816 MET N N 816 116.960 116.960 119.020 -2.060 25870 4600 1 7 . 1 1 816 816 MET HA H 816 3.782 3.782 4.094 -0.312 25870 4601 1 7 . 1 1 816 816 MET CA C 816 55.662 55.662 56.837 -1.175 25870 4602 1 7 . 1 1 816 816 MET CB C 816 30.033 30.033 31.971 -1.938 25870 4603 1 7 . 1 1 816 816 MET H H 816 8.372 8.372 8.194 0.178 25870 4604 1 7 . 1 1 817 817 SER N N 817 114.277 114.277 112.651 1.626 25870 4605 1 7 . 1 1 817 817 SER HA H 817 4.194 4.194 4.229 -0.035 25870 4606 1 7 . 1 1 817 817 SER CA C 817 60.521 60.521 59.920 0.601 25870 4607 1 7 . 1 1 817 817 SER CB C 817 63.185 63.185 63.277 -0.092 25870 4608 1 7 . 1 1 817 817 SER H H 817 8.074 8.074 8.291 -0.217 25870 4609 1 7 . 1 1 818 818 ARG N N 818 121.493 121.493 121.110 0.383 25870 4610 1 7 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.186 -0.062 25870 4611 1 7 . 1 1 818 818 ARG CA C 818 57.684 57.684 56.822 0.862 25870 4612 1 7 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.313 1.002 25870 4613 1 7 . 1 1 818 818 ARG H H 818 7.288 7.288 8.115 -0.827 25870 4614 1 7 . 1 1 819 819 GLU N N 819 119.737 119.737 118.227 1.510 25870 4615 1 7 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.079 0.022 25870 4616 1 7 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.778 -1.712 25870 4617 1 7 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.058 1.433 25870 4618 1 7 . 1 1 819 819 GLU H H 819 8.045 8.045 7.627 0.418 25870 4619 1 7 . 1 1 820 820 THR N N 820 112.128 112.128 110.307 1.821 25870 4620 1 7 . 1 1 820 820 THR HA H 820 4.280 4.280 3.787 0.493 25870 4621 1 7 . 1 1 820 820 THR CA C 820 62.055 62.055 62.760 -0.705 25870 4622 1 7 . 1 1 820 820 THR CB C 820 69.828 69.828 68.654 1.174 25870 4623 1 7 . 1 1 820 820 THR H H 820 7.760 7.760 7.425 0.335 25870 4624 1 7 . 1 1 821 821 ALA N N 821 126.098 126.098 122.401 3.697 25870 4625 1 7 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.332 -0.048 25870 4626 1 7 . 1 1 821 821 ALA CA C 821 52.726 52.726 50.801 1.925 25870 4627 1 7 . 1 1 821 821 ALA CB C 821 19.304 19.304 21.177 -1.873 25870 4628 1 7 . 1 1 821 821 ALA H H 821 7.957 7.957 7.171 0.786 25870 4629 1 7 . 1 1 822 822 ASP N N 822 119.904 119.904 120.735 -0.831 25870 4630 1 7 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.735 -0.122 25870 4631 1 7 . 1 1 822 822 ASP CA C 822 54.335 54.335 54.608 -0.273 25870 4632 1 7 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.784 -0.752 25870 4633 1 7 . 1 1 822 822 ASP H H 822 8.352 8.352 8.407 -0.055 25870 4634 1 7 . 1 1 823 823 THR N N 823 114.142 114.142 115.744 -1.602 25870 4635 1 7 . 1 1 823 823 THR HA H 823 4.278 4.278 4.648 -0.370 25870 4636 1 7 . 1 1 823 823 THR CA C 823 62.117 62.117 60.361 1.756 25870 4637 1 7 . 1 1 823 823 THR CB C 823 69.584 69.584 71.594 -2.010 25870 4638 1 7 . 1 1 823 823 THR H H 823 8.079 8.079 8.302 -0.223 25870 4639 1 7 . 1 1 824 824 ASP N N 824 123.261 123.261 121.073 2.188 25870 4640 1 7 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.525 0.132 25870 4641 1 7 . 1 1 824 824 ASP CA C 824 54.786 54.786 56.598 -1.812 25870 4642 1 7 . 1 1 824 824 ASP CB C 824 41.085 41.085 40.559 0.526 25870 4643 1 7 . 1 1 824 824 ASP H H 824 8.431 8.431 8.909 -0.478 25870 4644 1 7 . 1 1 825 825 THR N N 825 114.932 114.932 113.801 1.131 25870 4645 1 7 . 1 1 825 825 THR HA H 825 4.161 4.161 4.217 -0.056 25870 4646 1 7 . 1 1 825 825 THR CA C 825 63.109 63.109 64.786 -1.677 25870 4647 1 7 . 1 1 825 825 THR CB C 825 69.455 69.455 68.545 0.910 25870 4648 1 7 . 1 1 825 825 THR H H 825 8.155 8.155 8.514 -0.359 25870 4649 1 7 . 1 1 826 826 ALA N N 826 124.961 124.961 124.376 0.585 25870 4650 1 7 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.159 0.001 25870 4651 1 7 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.003 0.389 25870 4652 1 7 . 1 1 826 826 ALA CB C 826 18.610 18.610 17.967 0.643 25870 4653 1 7 . 1 1 826 826 ALA H H 826 8.379 8.379 8.111 0.268 25870 4654 1 7 . 1 1 827 827 ASP N N 827 117.765 117.765 118.042 -0.277 25870 4655 1 7 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.326 0.099 25870 4656 1 7 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.031 -0.980 25870 4657 1 7 . 1 1 827 827 ASP CB C 827 40.559 40.559 41.008 -0.449 25870 4658 1 7 . 1 1 827 827 ASP H H 827 8.250 8.250 7.817 0.433 25870 4659 1 7 . 1 1 828 828 GLN N N 828 120.523 120.523 117.661 2.862 25870 4660 1 7 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.067 0.024 25870 4661 1 7 . 1 1 828 828 GLN CA C 828 57.814 57.814 57.999 -0.185 25870 4662 1 7 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.780 -0.232 25870 4663 1 7 . 1 1 828 828 GLN H H 828 8.076 8.076 7.599 0.477 25870 4664 1 7 . 1 1 829 829 VAL N N 829 120.970 120.970 118.862 2.108 25870 4665 1 7 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.880 -0.355 25870 4666 1 7 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.518 0.676 25870 4667 1 7 . 1 1 829 829 VAL CB C 829 31.541 31.541 32.154 -0.613 25870 4668 1 7 . 1 1 829 829 VAL H H 829 8.051 8.051 7.265 0.786 25870 4669 1 7 . 1 1 830 830 MET N N 830 119.572 119.572 119.493 0.079 25870 4670 1 7 . 1 1 830 830 MET HA H 830 4.006 4.006 4.320 -0.314 25870 4671 1 7 . 1 1 830 830 MET CA C 830 57.977 57.977 54.401 3.576 25870 4672 1 7 . 1 1 830 830 MET CB C 830 31.995 31.995 31.487 0.508 25870 4673 1 7 . 1 1 830 830 MET H H 830 8.110 8.110 8.462 -0.352 25870 4674 1 7 . 1 1 831 831 ALA N N 831 121.059 121.059 121.905 -0.846 25870 4675 1 7 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.357 0.688 25870 4676 1 7 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.186 0.315 25870 4677 1 7 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.381 0.686 25870 4678 1 7 . 1 1 831 831 ALA H H 831 7.836 7.836 7.673 0.163 25870 4679 1 7 . 1 1 832 832 SER N N 832 114.256 114.256 115.643 -1.387 25870 4680 1 7 . 1 1 832 832 SER HA H 832 4.141 4.141 3.976 0.165 25870 4681 1 7 . 1 1 832 832 SER CA C 832 60.845 60.845 61.160 -0.315 25870 4682 1 7 . 1 1 832 832 SER CB C 832 62.613 62.613 62.783 -0.170 25870 4683 1 7 . 1 1 832 832 SER H H 832 7.714 7.714 7.347 0.367 25870 4684 1 7 . 1 1 833 833 PHE N N 833 121.847 121.847 119.261 2.586 25870 4685 1 7 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.267 -0.444 25870 4686 1 7 . 1 1 833 833 PHE CA C 833 58.627 58.627 57.800 0.827 25870 4687 1 7 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.464 0.663 25870 4688 1 7 . 1 1 833 833 PHE H H 833 7.740 7.740 7.543 0.197 25870 4689 1 7 . 1 1 834 834 LYS N N 834 118.759 118.759 120.951 -2.192 25870 4690 1 7 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.787 -0.198 25870 4691 1 7 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.491 0.893 25870 4692 1 7 . 1 1 834 834 LYS CB C 834 32.143 32.143 32.130 0.013 25870 4693 1 7 . 1 1 834 834 LYS H H 834 7.843 7.843 7.970 -0.127 25870 4694 1 7 . 1 1 835 835 ILE N N 835 118.537 118.537 120.140 -1.603 25870 4695 1 7 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.715 0.021 25870 4696 1 7 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.722 -1.008 25870 4697 1 7 . 1 1 835 835 ILE CB C 835 37.825 37.825 37.966 -0.141 25870 4698 1 7 . 1 1 835 835 ILE H H 835 7.315 7.315 7.161 0.154 25870 4699 1 7 . 1 1 836 836 LEU N N 836 121.201 121.201 118.541 2.660 25870 4700 1 7 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.847 0.108 25870 4701 1 7 . 1 1 836 836 LEU CA C 836 57.074 57.074 56.959 0.115 25870 4702 1 7 . 1 1 836 836 LEU CB C 836 42.415 42.415 42.034 0.381 25870 4703 1 7 . 1 1 836 836 LEU H H 836 7.625 7.625 8.053 -0.428 25870 4704 1 7 . 1 1 837 837 ALA N N 837 119.184 119.184 118.609 0.575 25870 4705 1 7 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.941 -0.046 25870 4706 1 7 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.772 -0.471 25870 4707 1 7 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.143 0.195 25870 4708 1 7 . 1 1 837 837 ALA H H 837 8.099 8.099 7.424 0.675 25870 4709 1 7 . 1 1 838 838 GLY N N 838 107.030 107.030 106.686 0.344 25870 4710 1 7 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.764 0.153 25870 4711 1 7 . 1 1 838 838 GLY H H 838 7.676 7.676 8.389 -0.713 25870 4712 1 7 . 1 1 839 839 ASP N N 839 122.291 122.291 124.415 -2.124 25870 4713 1 7 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.914 -0.437 25870 4714 1 7 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.807 0.704 25870 4715 1 7 . 1 1 839 839 ASP CB C 839 40.181 40.181 42.020 -1.839 25870 4716 1 7 . 1 1 839 839 ASP H H 839 8.704 8.704 8.080 0.624 25870 4717 1 7 . 1 1 840 840 LYS N N 840 117.582 117.582 120.904 -3.322 25870 4718 1 7 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.504 -0.203 25870 4719 1 7 . 1 1 840 840 LYS CA C 840 55.780 55.780 55.940 -0.160 25870 4720 1 7 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.468 0.242 25870 4721 1 7 . 1 1 840 840 LYS H H 840 7.583 7.583 7.421 0.162 25870 4722 1 7 . 1 1 841 841 ASN N N 841 116.678 116.678 117.602 -0.924 25870 4723 1 7 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.615 -0.004 25870 4724 1 7 . 1 1 841 841 ASN CA C 841 53.466 53.466 53.900 -0.434 25870 4725 1 7 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.028 0.127 25870 4726 1 7 . 1 1 841 841 ASN H H 841 8.693 8.693 8.903 -0.210 25870 4727 1 7 . 1 1 842 842 TYR N N 842 112.236 112.236 114.167 -1.931 25870 4728 1 7 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.918 0.068 25870 4729 1 7 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.159 -1.241 25870 4730 1 7 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.639 -0.044 25870 4731 1 7 . 1 1 842 842 TYR H H 842 6.637 6.637 7.292 -0.655 25870 4732 1 7 . 1 1 843 843 ILE N N 843 115.475 115.475 121.738 -6.263 25870 4733 1 7 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.593 0.199 25870 4734 1 7 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.350 0.607 25870 4735 1 7 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.848 0.161 25870 4736 1 7 . 1 1 843 843 ILE H H 843 8.630 8.630 9.314 -0.684 25870 4737 1 7 . 1 1 844 844 THR N N 844 117.169 117.169 118.075 -0.906 25870 4738 1 7 . 1 1 844 844 THR HA H 844 5.370 5.370 5.262 0.108 25870 4739 1 7 . 1 1 844 844 THR CA C 844 60.177 60.177 60.630 -0.453 25870 4740 1 7 . 1 1 844 844 THR CB C 844 71.088 71.088 70.721 0.367 25870 4741 1 7 . 1 1 844 844 THR H H 844 9.330 9.330 9.350 -0.019 25870 4742 1 7 . 1 1 845 845 MET N N 845 119.860 119.860 120.688 -0.828 25870 4743 1 7 . 1 1 845 845 MET HA H 845 3.824 3.824 4.052 -0.228 25870 4744 1 7 . 1 1 845 845 MET CA C 845 60.321 60.321 60.363 -0.042 25870 4745 1 7 . 1 1 845 845 MET CB C 845 33.030 33.030 32.270 0.760 25870 4746 1 7 . 1 1 845 845 MET H H 845 8.556 8.556 8.744 -0.188 25870 4747 1 7 . 1 1 846 846 ASP N N 846 116.363 116.363 118.516 -2.153 25870 4748 1 7 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.387 -0.107 25870 4749 1 7 . 1 1 846 846 ASP CA C 846 57.404 57.404 57.278 0.126 25870 4750 1 7 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.720 -0.136 25870 4751 1 7 . 1 1 846 846 ASP H H 846 8.377 8.377 8.698 -0.321 25870 4752 1 7 . 1 1 847 847 GLU N N 847 120.577 120.577 119.543 1.034 25870 4753 1 7 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.069 -0.215 25870 4754 1 7 . 1 1 847 847 GLU CA C 847 59.657 59.657 59.047 0.610 25870 4755 1 7 . 1 1 847 847 GLU CB C 847 29.660 29.660 29.707 -0.047 25870 4756 1 7 . 1 1 847 847 GLU H H 847 7.855 7.855 7.577 0.278 25870 4757 1 7 . 1 1 848 848 LEU N N 848 118.714 118.714 119.281 -0.567 25870 4758 1 7 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.097 -0.275 25870 4759 1 7 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.587 1.138 25870 4760 1 7 . 1 1 848 848 LEU CB C 848 42.457 42.457 42.160 0.297 25870 4761 1 7 . 1 1 848 848 LEU H H 848 7.849 7.849 7.481 0.368 25870 4762 1 7 . 1 1 849 849 ARG N N 849 113.972 113.972 114.634 -0.662 25870 4763 1 7 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.257 -0.333 25870 4764 1 7 . 1 1 849 849 ARG CA C 849 58.595 58.595 56.937 1.658 25870 4765 1 7 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.229 0.871 25870 4766 1 7 . 1 1 849 849 ARG H H 849 8.053 8.053 7.809 0.244 25870 4767 1 7 . 1 1 850 850 ARG N N 850 118.178 118.178 118.428 -0.250 25870 4768 1 7 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.412 -0.219 25870 4769 1 7 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.228 1.017 25870 4770 1 7 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.922 -0.802 25870 4771 1 7 . 1 1 850 850 ARG H H 850 7.743 7.743 7.927 -0.184 25870 4772 1 7 . 1 1 851 851 GLU N N 851 115.518 115.518 119.167 -3.649 25870 4773 1 7 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.370 -0.020 25870 4774 1 7 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.193 -0.307 25870 4775 1 7 . 1 1 851 851 GLU CB C 851 31.590 31.590 31.249 0.341 25870 4776 1 7 . 1 1 851 851 GLU H H 851 7.596 7.596 7.794 -0.198 25870 4777 1 7 . 1 1 852 852 LEU N N 852 119.148 119.148 121.449 -2.301 25870 4778 1 7 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.087 -0.193 25870 4779 1 7 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.792 0.382 25870 4780 1 7 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.581 0.888 25870 4781 1 7 . 1 1 852 852 LEU H H 852 7.890 7.890 7.766 0.124 25870 4782 1 7 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.385 -0.038 25870 4783 1 7 . 1 1 853 853 PRO CA C 853 65.119 65.119 64.132 0.987 25870 4784 1 7 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.319 1.312 25870 4785 1 7 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.455 -0.185 25870 4786 1 7 . 1 1 854 854 PRO CA C 854 66.336 66.336 62.002 4.334 25870 4787 1 7 . 1 1 854 854 PRO CB C 854 32.256 32.256 32.920 -0.665 25870 4788 1 7 . 1 1 855 855 ASP N N 855 114.865 114.865 119.207 -4.342 25870 4789 1 7 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.356 -0.007 25870 4790 1 7 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.582 -0.669 25870 4791 1 7 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.589 -1.345 25870 4792 1 7 . 1 1 855 855 ASP H H 855 8.801 8.801 8.286 0.515 25870 4793 1 7 . 1 1 856 856 GLN N N 856 121.465 121.465 118.792 2.673 25870 4794 1 7 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.291 -0.092 25870 4795 1 7 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.384 -1.067 25870 4796 1 7 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.222 1.025 25870 4797 1 7 . 1 1 856 856 GLN H H 856 7.472 7.472 8.445 -0.973 25870 4798 1 7 . 1 1 857 857 ALA N N 857 122.805 122.805 121.864 0.941 25870 4799 1 7 . 1 1 857 857 ALA HA H 857 3.799 3.799 4.004 -0.205 25870 4800 1 7 . 1 1 857 857 ALA CA C 857 56.303 56.303 55.693 0.610 25870 4801 1 7 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.178 -0.234 25870 4802 1 7 . 1 1 857 857 ALA H H 857 8.882 8.882 8.130 0.752 25870 4803 1 7 . 1 1 858 858 GLU N N 858 114.094 114.094 118.800 -4.706 25870 4804 1 7 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.019 0.005 25870 4805 1 7 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.612 0.070 25870 4806 1 7 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.067 -0.428 25870 4807 1 7 . 1 1 858 858 GLU H H 858 8.155 8.155 7.855 0.300 25870 4808 1 7 . 1 1 859 859 TYR N N 859 120.665 120.665 122.181 -1.516 25870 4809 1 7 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.110 -0.026 25870 4810 1 7 . 1 1 859 859 TYR CA C 859 61.006 61.006 60.941 0.065 25870 4811 1 7 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.170 0.517 25870 4812 1 7 . 1 1 859 859 TYR H H 859 7.708 7.708 8.369 -0.661 25870 4813 1 7 . 1 1 860 860 CYS N N 860 115.812 115.812 116.727 -0.915 25870 4814 1 7 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.333 0.825 25870 4815 1 7 . 1 1 860 860 CYS CA C 860 64.254 64.254 64.267 -0.013 25870 4816 1 7 . 1 1 860 860 CYS CB C 860 27.304 27.304 27.110 0.194 25870 4817 1 7 . 1 1 860 860 CYS H H 860 8.113 8.113 7.889 0.224 25870 4818 1 7 . 1 1 861 861 ILE N N 861 120.078 120.078 120.011 0.067 25870 4819 1 7 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.663 -0.324 25870 4820 1 7 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.246 0.397 25870 4821 1 7 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.676 1.038 25870 4822 1 7 . 1 1 861 861 ILE H H 861 8.453 8.453 7.830 0.623 25870 4823 1 7 . 1 1 862 862 ALA N N 862 116.691 116.691 120.809 -4.118 25870 4824 1 7 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.070 0.139 25870 4825 1 7 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.513 -1.291 25870 4826 1 7 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.611 0.391 25870 4827 1 7 . 1 1 862 862 ALA H H 862 7.307 7.307 8.138 -0.831 25870 4828 1 7 . 1 1 863 863 ARG N N 863 117.226 117.226 115.993 1.233 25870 4829 1 7 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.645 -0.371 25870 4830 1 7 . 1 1 863 863 ARG CA C 863 56.051 56.051 55.543 0.508 25870 4831 1 7 . 1 1 863 863 ARG CB C 863 31.389 31.389 31.308 0.081 25870 4832 1 7 . 1 1 863 863 ARG H H 863 7.358 7.358 7.490 -0.132 25870 4833 1 7 . 1 1 864 864 MET N N 864 117.583 117.583 119.126 -1.543 25870 4834 1 7 . 1 1 864 864 MET HA H 864 4.561 4.561 4.399 0.162 25870 4835 1 7 . 1 1 864 864 MET CA C 864 54.927 54.927 55.703 -0.776 25870 4836 1 7 . 1 1 864 864 MET CB C 864 37.418 37.418 34.212 3.206 25870 4837 1 7 . 1 1 864 864 MET H H 864 7.153 7.153 7.382 -0.229 25870 4838 1 7 . 1 1 865 865 ALA N N 865 124.643 124.643 125.867 -1.224 25870 4839 1 7 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.576 -0.710 25870 4840 1 7 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.617 -0.423 25870 4841 1 7 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.306 0.341 25870 4842 1 7 . 1 1 865 865 ALA H H 865 8.557 8.557 8.098 0.459 25870 4843 1 7 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.477 0.019 25870 4844 1 7 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.903 -0.179 25870 4845 1 7 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.484 1.496 25870 4846 1 7 . 1 1 867 867 TYR N N 867 122.461 122.461 125.931 -3.470 25870 4847 1 7 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.455 0.273 25870 4848 1 7 . 1 1 867 867 TYR CA C 867 57.096 57.096 55.633 1.462 25870 4849 1 7 . 1 1 867 867 TYR CB C 867 39.175 39.175 37.354 1.821 25870 4850 1 7 . 1 1 867 867 TYR H H 867 8.128 8.128 8.134 -0.006 25870 4851 1 7 . 1 1 868 868 THR HA H 868 4.351 4.351 4.652 -0.301 25870 4852 1 7 . 1 1 868 868 THR CA C 868 60.271 60.271 60.531 -0.260 25870 4853 1 7 . 1 1 868 868 THR CB C 868 68.737 68.737 69.618 -0.881 25870 4854 1 7 . 1 1 869 869 GLY CA C 869 44.914 44.914 42.265 2.649 25870 4855 1 7 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.383 -0.054 25870 4856 1 7 . 1 1 870 870 PRO CA C 870 64.697 64.697 64.049 0.648 25870 4857 1 7 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.181 -0.602 25870 4858 1 7 . 1 1 871 871 ASP N N 871 116.207 116.207 115.740 0.467 25870 4859 1 7 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.599 0.005 25870 4860 1 7 . 1 1 871 871 ASP CA C 871 52.749 52.749 53.963 -1.214 25870 4861 1 7 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.540 -1.611 25870 4862 1 7 . 1 1 871 871 ASP H H 871 9.267 9.267 8.503 0.764 25870 4863 1 7 . 1 1 872 872 SER N N 872 112.349 112.349 115.508 -3.159 25870 4864 1 7 . 1 1 872 872 SER HA H 872 3.497 3.497 4.479 -0.982 25870 4865 1 7 . 1 1 872 872 SER CA C 872 59.065 59.065 57.666 1.399 25870 4866 1 7 . 1 1 872 872 SER CB C 872 63.125 63.125 65.484 -2.359 25870 4867 1 7 . 1 1 872 872 SER H H 872 7.487 7.487 7.455 0.032 25870 4868 1 7 . 1 1 873 873 VAL N N 873 113.567 113.567 115.784 -2.217 25870 4869 1 7 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.553 0.176 25870 4870 1 7 . 1 1 873 873 VAL CA C 873 58.044 58.044 58.351 -0.307 25870 4871 1 7 . 1 1 873 873 VAL CB C 873 32.911 32.911 31.321 1.590 25870 4872 1 7 . 1 1 873 873 VAL H H 873 6.411 6.411 8.104 -1.693 25870 4873 1 7 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.526 -0.230 25870 4874 1 7 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.349 0.987 25870 4875 1 7 . 1 1 874 874 PRO CB C 874 31.515 31.515 30.161 1.354 25870 4876 1 7 . 1 1 875 875 GLY N N 875 112.118 112.118 107.671 4.447 25870 4877 1 7 . 1 1 875 875 GLY CA C 875 45.557 45.557 45.638 -0.081 25870 4878 1 7 . 1 1 875 875 GLY H H 875 8.800 8.800 8.030 0.770 25870 4879 1 7 . 1 1 876 876 ALA N N 876 120.262 120.262 123.847 -3.585 25870 4880 1 7 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.627 -1.527 25870 4881 1 7 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.179 2.894 25870 4882 1 7 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.683 -1.175 25870 4883 1 7 . 1 1 876 876 ALA H H 876 7.762 7.762 7.641 0.121 25870 4884 1 7 . 1 1 877 877 LEU N N 877 125.695 125.695 121.355 4.340 25870 4885 1 7 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.114 -0.338 25870 4886 1 7 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.709 0.560 25870 4887 1 7 . 1 1 877 877 LEU CB C 877 44.799 44.799 46.955 -2.156 25870 4888 1 7 . 1 1 877 877 LEU H H 877 9.595 9.595 9.345 0.250 25870 4889 1 7 . 1 1 878 878 ASP N N 878 119.823 119.823 122.132 -2.309 25870 4890 1 7 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.562 0.317 25870 4891 1 7 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.802 -0.805 25870 4892 1 7 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.453 -0.672 25870 4893 1 7 . 1 1 878 878 ASP H H 878 9.031 9.031 7.793 1.238 25870 4894 1 7 . 1 1 879 879 TYR N N 879 126.556 126.556 124.294 2.262 25870 4895 1 7 . 1 1 879 879 TYR HA H 879 4.591 4.591 3.834 0.757 25870 4896 1 7 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.705 -0.309 25870 4897 1 7 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.362 -0.041 25870 4898 1 7 . 1 1 879 879 TYR H H 879 7.456 7.456 7.933 -0.477 25870 4899 1 7 . 1 1 880 880 MET N N 880 119.958 119.958 113.346 6.612 25870 4900 1 7 . 1 1 880 880 MET HA H 880 4.605 4.605 4.660 -0.055 25870 4901 1 7 . 1 1 880 880 MET CA C 880 56.044 56.044 56.957 -0.913 25870 4902 1 7 . 1 1 880 880 MET CB C 880 30.101 30.101 33.082 -2.981 25870 4903 1 7 . 1 1 880 880 MET H H 880 7.627 7.627 7.207 0.420 25870 4904 1 7 . 1 1 881 881 SER N N 881 114.328 114.328 115.812 -1.484 25870 4905 1 7 . 1 1 881 881 SER HA H 881 4.471 4.471 4.578 -0.107 25870 4906 1 7 . 1 1 881 881 SER CA C 881 58.917 58.917 57.310 1.607 25870 4907 1 7 . 1 1 881 881 SER CB C 881 64.447 64.447 63.597 0.850 25870 4908 1 7 . 1 1 881 881 SER H H 881 7.726 7.726 8.076 -0.350 25870 4909 1 7 . 1 1 882 882 PHE N N 882 122.735 122.735 119.837 2.898 25870 4910 1 7 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.327 0.395 25870 4911 1 7 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.281 1.950 25870 4912 1 7 . 1 1 882 882 PHE CB C 882 40.285 40.285 38.946 1.339 25870 4913 1 7 . 1 1 882 882 PHE H H 882 7.385 7.385 7.305 0.080 25870 4914 1 7 . 1 1 883 883 SER N N 883 120.156 120.156 117.438 2.718 25870 4915 1 7 . 1 1 883 883 SER HA H 883 4.299 4.299 4.385 -0.086 25870 4916 1 7 . 1 1 883 883 SER CA C 883 57.280 57.280 58.430 -1.150 25870 4917 1 7 . 1 1 883 883 SER CB C 883 64.601 64.601 64.098 0.503 25870 4918 1 7 . 1 1 883 883 SER H H 883 7.472 7.472 8.185 -0.713 25870 4919 1 7 . 1 1 884 884 THR N N 884 110.683 110.683 114.354 -3.671 25870 4920 1 7 . 1 1 884 884 THR HA H 884 3.966 3.966 4.248 -0.282 25870 4921 1 7 . 1 1 884 884 THR CA C 884 63.465 63.465 62.920 0.545 25870 4922 1 7 . 1 1 884 884 THR CB C 884 68.899 68.899 69.151 -0.252 25870 4923 1 7 . 1 1 884 884 THR H H 884 7.996 7.996 8.304 -0.308 25870 4924 1 7 . 1 1 885 885 ALA N N 885 125.456 125.456 124.687 0.769 25870 4925 1 7 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.523 -0.287 25870 4926 1 7 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.143 0.887 25870 4927 1 7 . 1 1 885 885 ALA CB C 885 19.225 19.225 20.405 -1.180 25870 4928 1 7 . 1 1 885 885 ALA H H 885 7.905 7.905 7.576 0.329 25870 4929 1 7 . 1 1 886 886 LEU N N 886 120.638 120.638 120.957 -0.319 25870 4930 1 7 . 1 1 886 886 LEU HA H 886 4.002 4.002 4.457 -0.455 25870 4931 1 7 . 1 1 886 886 LEU CA C 886 55.462 55.462 54.343 1.119 25870 4932 1 7 . 1 1 886 886 LEU CB C 886 42.265 42.265 43.219 -0.954 25870 4933 1 7 . 1 1 886 886 LEU H H 886 8.079 8.079 8.432 -0.353 25870 4934 1 7 . 1 1 887 887 TYR N N 887 121.526 121.526 120.204 1.322 25870 4935 1 7 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.393 -0.037 25870 4936 1 7 . 1 1 887 887 TYR CA C 887 58.750 58.750 58.450 0.300 25870 4937 1 7 . 1 1 887 887 TYR CB C 887 38.569 38.569 36.603 1.966 25870 4938 1 7 . 1 1 887 887 TYR H H 887 8.267 8.267 8.860 -0.593 25870 4939 1 7 . 1 1 888 888 GLY N N 888 112.379 112.379 106.831 5.548 25870 4940 1 7 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.639 0.451 25870 4941 1 7 . 1 1 888 888 GLY H H 888 8.087 8.087 7.863 0.224 25870 4942 1 7 . 1 1 889 889 GLU N N 889 120.255 120.255 120.774 -0.519 25870 4943 1 7 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.146 0.110 25870 4944 1 7 . 1 1 889 889 GLU CA C 889 56.445 56.445 57.139 -0.694 25870 4945 1 7 . 1 1 889 889 GLU CB C 889 30.393 30.393 29.523 0.870 25870 4946 1 7 . 1 1 889 889 GLU H H 889 7.994 7.994 8.015 -0.021 25870 4947 1 7 . 1 1 890 890 SER N N 890 116.375 116.375 112.313 4.062 25870 4948 1 7 . 1 1 890 890 SER HA H 890 4.415 4.415 4.229 0.186 25870 4949 1 7 . 1 1 890 890 SER CA C 890 58.204 58.204 58.626 -0.422 25870 4950 1 7 . 1 1 890 890 SER CB C 890 63.913 63.913 62.897 1.016 25870 4951 1 7 . 1 1 890 890 SER H H 890 8.329 8.329 8.396 -0.067 25870 4952 1 7 . 1 1 891 891 ASP N N 891 123.017 123.017 120.712 2.305 25870 4953 1 7 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.761 -0.151 25870 4954 1 7 . 1 1 891 891 ASP CA C 891 54.371 54.371 53.841 0.530 25870 4955 1 7 . 1 1 891 891 ASP CB C 891 41.013 41.013 39.974 1.039 25870 4956 1 7 . 1 1 891 891 ASP H H 891 8.394 8.394 8.523 -0.129 25870 4957 1 8 . 1 1 742 742 SER HA H 742 4.525 4.525 4.612 -0.087 25870 4958 1 8 . 1 1 742 742 SER CA C 742 58.148 58.148 57.644 0.504 25870 4959 1 8 . 1 1 742 742 SER CB C 742 63.791 63.791 63.931 -0.140 25870 4960 1 8 . 1 1 743 743 ILE N N 743 122.172 122.172 123.395 -1.223 25870 4961 1 8 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.017 0.345 25870 4962 1 8 . 1 1 743 743 ILE CA C 743 60.421 60.421 62.332 -1.911 25870 4963 1 8 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.600 0.566 25870 4964 1 8 . 1 1 743 743 ILE H H 743 8.132 8.132 8.670 -0.538 25870 4965 1 8 . 1 1 744 744 SER N N 744 123.144 123.144 122.891 0.253 25870 4966 1 8 . 1 1 744 744 SER HA H 744 4.449 4.449 4.686 -0.237 25870 4967 1 8 . 1 1 744 744 SER CA C 744 57.463 57.463 57.320 0.143 25870 4968 1 8 . 1 1 744 744 SER CB C 744 65.219 65.219 65.660 -0.441 25870 4969 1 8 . 1 1 744 744 SER H H 744 8.848 8.848 8.403 0.445 25870 4970 1 8 . 1 1 745 745 GLN N N 745 121.619 121.619 121.014 0.605 25870 4971 1 8 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.149 -0.197 25870 4972 1 8 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.044 -0.276 25870 4973 1 8 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.627 -0.115 25870 4974 1 8 . 1 1 745 745 GLN H H 745 9.042 9.042 9.009 0.033 25870 4975 1 8 . 1 1 746 746 GLU N N 746 118.648 118.648 119.191 -0.543 25870 4976 1 8 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.169 -0.165 25870 4977 1 8 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.759 1.464 25870 4978 1 8 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.413 -0.559 25870 4979 1 8 . 1 1 746 746 GLU H H 746 8.721 8.721 7.880 0.841 25870 4980 1 8 . 1 1 747 747 GLN N N 747 120.463 120.463 120.587 -0.124 25870 4981 1 8 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.313 -0.547 25870 4982 1 8 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.632 -0.326 25870 4983 1 8 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.659 0.289 25870 4984 1 8 . 1 1 747 747 GLN H H 747 7.838 7.838 8.399 -0.561 25870 4985 1 8 . 1 1 748 748 MET N N 748 119.252 119.252 115.270 3.982 25870 4986 1 8 . 1 1 748 748 MET HA H 748 4.200 4.200 4.470 -0.270 25870 4987 1 8 . 1 1 748 748 MET CA C 748 58.096 58.096 59.015 -0.919 25870 4988 1 8 . 1 1 748 748 MET CB C 748 30.900 30.900 32.307 -1.407 25870 4989 1 8 . 1 1 748 748 MET H H 748 8.473 8.473 8.101 0.372 25870 4990 1 8 . 1 1 749 749 ASN N N 749 117.740 117.740 118.855 -1.115 25870 4991 1 8 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.498 -0.024 25870 4992 1 8 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.907 -0.112 25870 4993 1 8 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.784 -1.371 25870 4994 1 8 . 1 1 749 749 ASN H H 749 8.334 8.334 7.841 0.493 25870 4995 1 8 . 1 1 750 750 GLU N N 750 122.848 122.848 118.750 4.098 25870 4996 1 8 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.151 0.053 25870 4997 1 8 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.316 1.025 25870 4998 1 8 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.766 -0.582 25870 4999 1 8 . 1 1 750 750 GLU H H 750 7.838 7.838 8.315 -0.477 25870 5000 1 8 . 1 1 751 751 PHE N N 751 120.177 120.177 123.019 -2.842 25870 5001 1 8 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.350 0.671 25870 5002 1 8 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.319 -0.966 25870 5003 1 8 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.304 -1.507 25870 5004 1 8 . 1 1 751 751 PHE H H 751 8.785 8.785 8.728 0.057 25870 5005 1 8 . 1 1 752 752 ARG N N 752 120.528 120.528 120.618 -0.090 25870 5006 1 8 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.821 0.339 25870 5007 1 8 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.281 1.423 25870 5008 1 8 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.453 1.515 25870 5009 1 8 . 1 1 752 752 ARG H H 752 9.016 9.016 7.942 1.074 25870 5010 1 8 . 1 1 753 753 ALA N N 753 121.112 121.112 122.463 -1.351 25870 5011 1 8 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.389 -0.144 25870 5012 1 8 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.674 0.657 25870 5013 1 8 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.740 0.083 25870 5014 1 8 . 1 1 753 753 ALA H H 753 8.100 8.100 7.850 0.250 25870 5015 1 8 . 1 1 754 754 SER N N 754 115.589 115.589 115.409 0.180 25870 5016 1 8 . 1 1 754 754 SER HA H 754 4.452 4.452 4.192 0.260 25870 5017 1 8 . 1 1 754 754 SER CA C 754 62.675 62.675 60.329 2.346 25870 5018 1 8 . 1 1 754 754 SER CB C 754 63.359 63.359 62.733 0.625 25870 5019 1 8 . 1 1 754 754 SER H H 754 8.391 8.391 7.907 0.484 25870 5020 1 8 . 1 1 755 755 PHE N N 755 121.886 121.886 118.862 3.024 25870 5021 1 8 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.987 -0.345 25870 5022 1 8 . 1 1 755 755 PHE CA C 755 61.964 61.964 58.908 3.056 25870 5023 1 8 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.459 1.363 25870 5024 1 8 . 1 1 755 755 PHE H H 755 8.675 8.675 7.908 0.767 25870 5025 1 8 . 1 1 756 756 ASN N N 756 113.618 113.618 113.823 -0.205 25870 5026 1 8 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.087 0.340 25870 5027 1 8 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.605 3.006 25870 5028 1 8 . 1 1 756 756 ASN CB C 756 37.838 37.838 39.240 -1.402 25870 5029 1 8 . 1 1 756 756 ASN H H 756 8.593 8.593 7.614 0.979 25870 5030 1 8 . 1 1 757 757 HIS N N 757 119.679 119.679 121.514 -1.835 25870 5031 1 8 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.272 -0.193 25870 5032 1 8 . 1 1 757 757 HIS CA C 757 59.344 59.344 59.530 -0.186 25870 5033 1 8 . 1 1 757 757 HIS CB C 757 29.889 29.889 29.964 -0.075 25870 5034 1 8 . 1 1 757 757 HIS H H 757 8.139 8.139 7.501 0.638 25870 5035 1 8 . 1 1 758 758 PHE N N 758 113.051 113.051 116.269 -3.218 25870 5036 1 8 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.590 -0.529 25870 5037 1 8 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.454 2.243 25870 5038 1 8 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.504 -1.769 25870 5039 1 8 . 1 1 758 758 PHE H H 758 7.585 7.585 7.569 0.016 25870 5040 1 8 . 1 1 759 759 ASP N N 759 120.916 120.916 121.558 -0.642 25870 5041 1 8 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.465 0.044 25870 5042 1 8 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.906 -2.735 25870 5043 1 8 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.565 -2.556 25870 5044 1 8 . 1 1 759 759 ASP H H 759 7.423 7.423 7.940 -0.517 25870 5045 1 8 . 1 1 760 760 ARG N N 760 124.819 124.819 125.627 -0.808 25870 5046 1 8 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.092 -0.324 25870 5047 1 8 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.733 -0.458 25870 5048 1 8 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.638 -0.389 25870 5049 1 8 . 1 1 760 760 ARG H H 760 7.781 7.781 8.327 -0.546 25870 5050 1 8 . 1 1 761 761 ASP N N 761 113.673 113.673 113.771 -0.098 25870 5051 1 8 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.720 -0.237 25870 5052 1 8 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.482 -1.505 25870 5053 1 8 . 1 1 761 761 ASP CB C 761 39.522 39.522 40.658 -1.137 25870 5054 1 8 . 1 1 761 761 ASP H H 761 7.821 7.821 8.140 -0.319 25870 5055 1 8 . 1 1 762 762 HIS N N 762 114.966 114.966 116.548 -1.582 25870 5056 1 8 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.213 -0.052 25870 5057 1 8 . 1 1 762 762 HIS CA C 762 56.618 56.618 57.034 -0.416 25870 5058 1 8 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.881 -2.501 25870 5059 1 8 . 1 1 762 762 HIS H H 762 7.744 7.744 7.933 -0.189 25870 5060 1 8 . 1 1 763 763 SER N N 763 115.077 115.077 113.881 1.196 25870 5061 1 8 . 1 1 763 763 SER HA H 763 4.336 4.336 4.354 -0.018 25870 5062 1 8 . 1 1 763 763 SER CA C 763 59.860 59.860 59.867 -0.007 25870 5063 1 8 . 1 1 763 763 SER CB C 763 65.192 65.192 64.032 1.160 25870 5064 1 8 . 1 1 763 763 SER H H 763 8.726 8.726 8.643 0.083 25870 5065 1 8 . 1 1 764 764 GLY N N 764 116.915 116.915 110.275 6.640 25870 5066 1 8 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.594 -0.145 25870 5067 1 8 . 1 1 764 764 GLY H H 764 11.017 11.017 8.780 2.237 25870 5068 1 8 . 1 1 765 765 THR N N 765 107.334 107.334 110.738 -3.404 25870 5069 1 8 . 1 1 765 765 THR HA H 765 4.829 4.829 5.188 -0.359 25870 5070 1 8 . 1 1 765 765 THR CA C 765 58.759 58.759 60.825 -2.066 25870 5071 1 8 . 1 1 765 765 THR CB C 765 73.383 73.383 71.980 1.403 25870 5072 1 8 . 1 1 765 765 THR H H 765 7.693 7.693 8.150 -0.457 25870 5073 1 8 . 1 1 766 766 LEU N N 766 124.664 124.664 124.570 0.094 25870 5074 1 8 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.652 0.248 25870 5075 1 8 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.694 -1.355 25870 5076 1 8 . 1 1 766 766 LEU CB C 766 42.339 42.339 42.856 -0.517 25870 5077 1 8 . 1 1 766 766 LEU H H 766 9.209 9.209 8.698 0.511 25870 5078 1 8 . 1 1 767 767 GLY N N 767 112.024 112.024 112.066 -0.042 25870 5079 1 8 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.834 0.289 25870 5080 1 8 . 1 1 767 767 GLY H H 767 8.910 8.910 8.905 0.005 25870 5081 1 8 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.527 -0.209 25870 5082 1 8 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.267 0.860 25870 5083 1 8 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.115 -0.086 25870 5084 1 8 . 1 1 769 769 GLU N N 769 115.246 115.246 118.470 -3.224 25870 5085 1 8 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.091 -0.120 25870 5086 1 8 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.794 0.827 25870 5087 1 8 . 1 1 769 769 GLU CB C 769 28.628 28.628 29.528 -0.900 25870 5088 1 8 . 1 1 769 769 GLU H H 769 8.622 8.622 9.031 -0.409 25870 5089 1 8 . 1 1 770 770 GLU N N 770 121.127 121.127 118.225 2.902 25870 5090 1 8 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.257 0.015 25870 5091 1 8 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.901 -0.404 25870 5092 1 8 . 1 1 770 770 GLU CB C 770 31.372 31.372 30.054 1.318 25870 5093 1 8 . 1 1 770 770 GLU H H 770 7.493 7.493 7.896 -0.403 25870 5094 1 8 . 1 1 771 771 PHE N N 771 117.688 117.688 122.103 -4.415 25870 5095 1 8 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.275 0.080 25870 5096 1 8 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.712 -2.087 25870 5097 1 8 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.453 -0.643 25870 5098 1 8 . 1 1 771 771 PHE H H 771 9.110 9.110 8.939 0.171 25870 5099 1 8 . 1 1 772 772 LYS N N 772 119.789 119.789 118.205 1.584 25870 5100 1 8 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.619 -0.306 25870 5101 1 8 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.365 2.307 25870 5102 1 8 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.819 1.160 25870 5103 1 8 . 1 1 772 772 LYS H H 772 8.594 8.594 8.142 0.452 25870 5104 1 8 . 1 1 773 773 ALA N N 773 118.461 118.461 120.265 -1.804 25870 5105 1 8 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.053 -0.172 25870 5106 1 8 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.784 1.229 25870 5107 1 8 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.997 -1.368 25870 5108 1 8 . 1 1 773 773 ALA H H 773 7.231 7.231 7.484 -0.253 25870 5109 1 8 . 1 1 774 774 CYS N N 774 120.913 120.913 119.362 1.551 25870 5110 1 8 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.735 -0.300 25870 5111 1 8 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.337 -0.163 25870 5112 1 8 . 1 1 774 774 CYS CB C 774 26.215 26.215 26.329 -0.114 25870 5113 1 8 . 1 1 774 774 CYS H H 774 7.498 7.498 7.627 -0.129 25870 5114 1 8 . 1 1 775 775 LEU N N 775 119.201 119.201 118.523 0.678 25870 5115 1 8 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.492 0.274 25870 5116 1 8 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.228 1.704 25870 5117 1 8 . 1 1 775 775 LEU CB C 775 40.950 40.950 40.929 0.021 25870 5118 1 8 . 1 1 775 775 LEU H H 775 8.372 8.372 7.633 0.739 25870 5119 1 8 . 1 1 776 776 ILE N N 776 121.051 121.051 118.469 2.582 25870 5120 1 8 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.542 1.548 25870 5121 1 8 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.242 1.002 25870 5122 1 8 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.227 0.764 25870 5123 1 8 . 1 1 776 776 ILE H H 776 8.358 8.358 6.619 1.739 25870 5124 1 8 . 1 1 777 777 SER N N 777 119.109 119.109 112.949 6.160 25870 5125 1 8 . 1 1 777 777 SER HA H 777 4.291 4.291 4.182 0.109 25870 5126 1 8 . 1 1 777 777 SER CA C 777 61.725 61.725 59.459 2.266 25870 5127 1 8 . 1 1 777 777 SER CB C 777 62.995 62.995 63.306 -0.311 25870 5128 1 8 . 1 1 777 777 SER H H 777 7.822 7.822 7.314 0.508 25870 5129 1 8 . 1 1 778 778 LEU N N 778 121.208 121.208 117.835 3.373 25870 5130 1 8 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.394 0.112 25870 5131 1 8 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.459 1.540 25870 5132 1 8 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.091 0.579 25870 5133 1 8 . 1 1 778 778 LEU H H 778 7.671 7.671 7.020 0.651 25870 5134 1 8 . 1 1 779 779 GLY N N 779 106.232 106.232 107.451 -1.219 25870 5135 1 8 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.227 0.060 25870 5136 1 8 . 1 1 779 779 GLY H H 779 7.897 7.897 7.239 0.658 25870 5137 1 8 . 1 1 780 780 TYR N N 780 120.772 120.772 117.797 2.975 25870 5138 1 8 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.571 -0.429 25870 5139 1 8 . 1 1 780 780 TYR CA C 780 59.231 59.231 54.868 4.363 25870 5140 1 8 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.503 -0.162 25870 5141 1 8 . 1 1 780 780 TYR H H 780 8.072 8.072 7.391 0.681 25870 5142 1 8 . 1 1 781 781 ASP N N 781 124.304 124.304 117.920 6.384 25870 5143 1 8 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.608 0.057 25870 5144 1 8 . 1 1 781 781 ASP CA C 781 53.148 53.148 54.482 -1.334 25870 5145 1 8 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.765 -0.961 25870 5146 1 8 . 1 1 781 781 ASP H H 781 8.862 8.862 9.141 -0.279 25870 5147 1 8 . 1 1 782 782 ILE N N 782 122.271 122.271 112.911 9.360 25870 5148 1 8 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.480 -0.139 25870 5149 1 8 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.086 -0.094 25870 5150 1 8 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.368 -2.461 25870 5151 1 8 . 1 1 782 782 ILE H H 782 7.344 7.344 6.941 0.403 25870 5152 1 8 . 1 1 783 783 GLY N N 783 112.322 112.322 105.754 6.568 25870 5153 1 8 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.743 -0.220 25870 5154 1 8 . 1 1 783 783 GLY H H 783 8.122 8.122 8.144 -0.022 25870 5155 1 8 . 1 1 784 784 ASN N N 784 118.727 118.727 118.150 0.577 25870 5156 1 8 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.681 0.201 25870 5157 1 8 . 1 1 784 784 ASN CA C 784 52.098 52.098 53.302 -1.204 25870 5158 1 8 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.362 -0.938 25870 5159 1 8 . 1 1 784 784 ASN H H 784 8.452 8.452 8.510 -0.058 25870 5160 1 8 . 1 1 785 785 ASP N N 785 119.826 119.826 121.939 -2.113 25870 5161 1 8 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.737 0.041 25870 5162 1 8 . 1 1 785 785 ASP CA C 785 52.164 52.164 52.069 0.095 25870 5163 1 8 . 1 1 785 785 ASP CB C 785 39.657 39.657 42.047 -2.390 25870 5164 1 8 . 1 1 785 785 ASP H H 785 8.145 8.145 7.805 0.340 25870 5165 1 8 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.257 0.014 25870 5166 1 8 . 1 1 786 786 PRO CA C 786 66.265 66.265 64.990 1.275 25870 5167 1 8 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.138 -0.127 25870 5168 1 8 . 1 1 787 787 GLN N N 787 118.097 118.097 117.659 0.438 25870 5169 1 8 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.304 -0.163 25870 5170 1 8 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.070 1.045 25870 5171 1 8 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.805 -1.073 25870 5172 1 8 . 1 1 787 787 GLN H H 787 8.409 8.409 9.016 -0.607 25870 5173 1 8 . 1 1 788 788 GLY N N 788 113.421 113.421 108.599 4.822 25870 5174 1 8 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.928 0.389 25870 5175 1 8 . 1 1 788 788 GLY H H 788 8.644 8.644 7.846 0.798 25870 5176 1 8 . 1 1 789 789 GLU N N 789 121.223 121.223 121.260 -0.037 25870 5177 1 8 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.273 -0.125 25870 5178 1 8 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.336 0.008 25870 5179 1 8 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.363 0.072 25870 5180 1 8 . 1 1 789 789 GLU H H 789 8.514 8.514 8.413 0.101 25870 5181 1 8 . 1 1 790 790 ALA N N 790 122.879 122.879 122.497 0.382 25870 5182 1 8 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.204 0.043 25870 5183 1 8 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.132 -0.225 25870 5184 1 8 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.439 -0.659 25870 5185 1 8 . 1 1 790 790 ALA H H 790 8.024 8.024 7.668 0.356 25870 5186 1 8 . 1 1 791 791 GLU N N 791 122.622 122.622 119.081 3.541 25870 5187 1 8 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.108 0.579 25870 5188 1 8 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.635 -0.501 25870 5189 1 8 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.492 -0.431 25870 5190 1 8 . 1 1 791 791 GLU H H 791 8.280 8.280 7.889 0.391 25870 5191 1 8 . 1 1 792 792 PHE N N 792 119.949 119.949 121.172 -1.223 25870 5192 1 8 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.268 -0.230 25870 5193 1 8 . 1 1 792 792 PHE CA C 792 61.812 61.812 60.964 0.848 25870 5194 1 8 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.567 0.031 25870 5195 1 8 . 1 1 792 792 PHE H H 792 8.722 8.722 8.796 -0.074 25870 5196 1 8 . 1 1 793 793 ALA N N 793 119.652 119.652 121.726 -2.074 25870 5197 1 8 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.324 0.530 25870 5198 1 8 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.449 0.453 25870 5199 1 8 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.838 -0.210 25870 5200 1 8 . 1 1 793 793 ALA H H 793 8.163 8.163 7.757 0.406 25870 5201 1 8 . 1 1 794 794 ARG N N 794 121.092 121.092 119.432 1.660 25870 5202 1 8 . 1 1 794 794 ARG HA H 794 3.910 3.910 3.984 -0.074 25870 5203 1 8 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.213 0.258 25870 5204 1 8 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.195 -0.103 25870 5205 1 8 . 1 1 794 794 ARG H H 794 8.034 8.034 7.631 0.403 25870 5206 1 8 . 1 1 795 795 ILE N N 795 121.394 121.394 120.683 0.711 25870 5207 1 8 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.739 -0.351 25870 5208 1 8 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.140 0.708 25870 5209 1 8 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.236 -0.027 25870 5210 1 8 . 1 1 795 795 ILE H H 795 8.049 8.049 7.843 0.206 25870 5211 1 8 . 1 1 796 796 MET N N 796 119.012 119.012 118.446 0.566 25870 5212 1 8 . 1 1 796 796 MET HA H 796 4.155 4.155 3.950 0.205 25870 5213 1 8 . 1 1 796 796 MET CA C 796 56.470 56.470 57.978 -1.508 25870 5214 1 8 . 1 1 796 796 MET CB C 796 29.892 29.892 31.574 -1.682 25870 5215 1 8 . 1 1 796 796 MET H H 796 8.589 8.589 8.299 0.290 25870 5216 1 8 . 1 1 797 797 SER N N 797 114.132 114.132 112.440 1.692 25870 5217 1 8 . 1 1 797 797 SER HA H 797 4.097 4.097 4.258 -0.161 25870 5218 1 8 . 1 1 797 797 SER CA C 797 61.231 61.231 60.521 0.710 25870 5219 1 8 . 1 1 797 797 SER CB C 797 62.895 62.895 63.892 -0.997 25870 5220 1 8 . 1 1 797 797 SER H H 797 7.732 7.732 7.559 0.173 25870 5221 1 8 . 1 1 798 798 ILE N N 798 120.873 120.873 116.075 4.798 25870 5222 1 8 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.097 -0.279 25870 5223 1 8 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.255 0.620 25870 5224 1 8 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.387 0.476 25870 5225 1 8 . 1 1 798 798 ILE H H 798 7.352 7.352 7.575 -0.223 25870 5226 1 8 . 1 1 799 799 VAL N N 799 110.552 110.552 112.720 -2.168 25870 5227 1 8 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.072 0.171 25870 5228 1 8 . 1 1 799 799 VAL CA C 799 62.616 62.616 60.532 2.084 25870 5229 1 8 . 1 1 799 799 VAL CB C 799 32.416 32.416 30.726 1.690 25870 5230 1 8 . 1 1 799 799 VAL H H 799 7.648 7.648 7.949 -0.301 25870 5231 1 8 . 1 1 800 800 ASP N N 800 119.435 119.435 120.669 -1.234 25870 5232 1 8 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.143 0.082 25870 5233 1 8 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.097 1.618 25870 5234 1 8 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.696 -0.610 25870 5235 1 8 . 1 1 800 800 ASP H H 800 8.074 8.074 7.268 0.806 25870 5236 1 8 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.411 -0.080 25870 5237 1 8 . 1 1 801 801 PRO CA C 801 64.819 64.819 64.025 0.794 25870 5238 1 8 . 1 1 801 801 PRO CB C 801 31.689 31.689 32.037 -0.348 25870 5239 1 8 . 1 1 802 802 ASN N N 802 115.164 115.164 115.378 -0.214 25870 5240 1 8 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.742 0.018 25870 5241 1 8 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.661 0.337 25870 5242 1 8 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.979 -2.027 25870 5243 1 8 . 1 1 802 802 ASN H H 802 8.949 8.949 7.627 1.322 25870 5244 1 8 . 1 1 803 803 ARG N N 803 117.446 117.446 116.275 1.171 25870 5245 1 8 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.229 -0.399 25870 5246 1 8 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.926 -0.038 25870 5247 1 8 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.178 -0.824 25870 5248 1 8 . 1 1 803 803 ARG H H 803 7.958 7.958 7.853 0.105 25870 5249 1 8 . 1 1 804 804 LEU N N 804 123.307 123.307 116.678 6.629 25870 5250 1 8 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.707 -0.551 25870 5251 1 8 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.354 2.019 25870 5252 1 8 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.692 1.238 25870 5253 1 8 . 1 1 804 804 LEU H H 804 10.591 10.591 8.194 2.397 25870 5254 1 8 . 1 1 805 805 GLY N N 805 110.516 110.516 107.523 2.993 25870 5255 1 8 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.712 -0.768 25870 5256 1 8 . 1 1 805 805 GLY H H 805 11.001 11.001 8.599 2.402 25870 5257 1 8 . 1 1 806 806 VAL N N 806 109.840 109.840 114.459 -4.619 25870 5258 1 8 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.312 0.259 25870 5259 1 8 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.386 -0.820 25870 5260 1 8 . 1 1 806 806 VAL CB C 806 36.853 36.853 35.210 1.643 25870 5261 1 8 . 1 1 806 806 VAL H H 806 6.831 6.831 7.021 -0.190 25870 5262 1 8 . 1 1 807 807 VAL N N 807 122.184 122.184 122.807 -0.623 25870 5263 1 8 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.445 -0.278 25870 5264 1 8 . 1 1 807 807 VAL CA C 807 61.644 61.644 61.138 0.506 25870 5265 1 8 . 1 1 807 807 VAL CB C 807 32.383 32.383 31.750 0.632 25870 5266 1 8 . 1 1 807 807 VAL H H 807 9.007 9.007 8.838 0.169 25870 5267 1 8 . 1 1 808 808 THR N N 808 117.391 117.391 116.635 0.756 25870 5268 1 8 . 1 1 808 808 THR HA H 808 4.593 4.593 4.639 -0.046 25870 5269 1 8 . 1 1 808 808 THR CA C 808 60.615 60.615 58.630 1.985 25870 5270 1 8 . 1 1 808 808 THR CB C 808 70.695 70.695 71.261 -0.566 25870 5271 1 8 . 1 1 808 808 THR H H 808 7.925 7.925 7.436 0.489 25870 5272 1 8 . 1 1 809 809 PHE N N 809 122.236 122.236 118.725 3.511 25870 5273 1 8 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.457 -0.817 25870 5274 1 8 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.424 0.325 25870 5275 1 8 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.525 0.652 25870 5276 1 8 . 1 1 809 809 PHE H H 809 9.349 9.349 8.117 1.232 25870 5277 1 8 . 1 1 810 810 GLN N N 810 116.788 116.788 117.337 -0.549 25870 5278 1 8 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.201 -0.603 25870 5279 1 8 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.831 0.750 25870 5280 1 8 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.505 -0.306 25870 5281 1 8 . 1 1 810 810 GLN H H 810 8.572 8.572 7.924 0.648 25870 5282 1 8 . 1 1 811 811 ALA N N 811 121.208 121.208 121.946 -0.738 25870 5283 1 8 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.195 -0.076 25870 5284 1 8 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.785 1.126 25870 5285 1 8 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.896 0.369 25870 5286 1 8 . 1 1 811 811 ALA H H 811 7.667 7.667 7.674 -0.007 25870 5287 1 8 . 1 1 812 812 PHE N N 812 119.805 119.805 118.929 0.876 25870 5288 1 8 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.366 -0.386 25870 5289 1 8 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.100 -0.360 25870 5290 1 8 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.680 0.990 25870 5291 1 8 . 1 1 812 812 PHE H H 812 8.400 8.400 8.365 0.035 25870 5292 1 8 . 1 1 813 813 ILE N N 813 118.098 118.098 118.562 -0.464 25870 5293 1 8 . 1 1 813 813 ILE HA H 813 3.146 3.146 4.020 -0.874 25870 5294 1 8 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.708 0.591 25870 5295 1 8 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.377 -0.175 25870 5296 1 8 . 1 1 813 813 ILE H H 813 8.364 8.364 7.833 0.531 25870 5297 1 8 . 1 1 814 814 ASP N N 814 123.528 123.528 120.519 3.009 25870 5298 1 8 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.370 -0.174 25870 5299 1 8 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.415 0.265 25870 5300 1 8 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.654 -0.418 25870 5301 1 8 . 1 1 814 814 ASP H H 814 8.221 8.221 7.849 0.372 25870 5302 1 8 . 1 1 815 815 PHE N N 815 120.584 120.584 119.435 1.149 25870 5303 1 8 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.359 -0.230 25870 5304 1 8 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.872 0.212 25870 5305 1 8 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.422 0.276 25870 5306 1 8 . 1 1 815 815 PHE H H 815 7.887 7.887 7.824 0.063 25870 5307 1 8 . 1 1 816 816 MET N N 816 116.960 116.960 118.774 -1.814 25870 5308 1 8 . 1 1 816 816 MET HA H 816 3.782 3.782 4.084 -0.302 25870 5309 1 8 . 1 1 816 816 MET CA C 816 55.662 55.662 56.776 -1.114 25870 5310 1 8 . 1 1 816 816 MET CB C 816 30.033 30.033 31.946 -1.913 25870 5311 1 8 . 1 1 816 816 MET H H 816 8.372 8.372 8.172 0.200 25870 5312 1 8 . 1 1 817 817 SER N N 817 114.277 114.277 112.345 1.932 25870 5313 1 8 . 1 1 817 817 SER HA H 817 4.194 4.194 4.246 -0.052 25870 5314 1 8 . 1 1 817 817 SER CA C 817 60.521 60.521 59.901 0.620 25870 5315 1 8 . 1 1 817 817 SER CB C 817 63.185 63.185 63.310 -0.125 25870 5316 1 8 . 1 1 817 817 SER H H 817 8.074 8.074 8.279 -0.205 25870 5317 1 8 . 1 1 818 818 ARG N N 818 121.493 121.493 121.154 0.339 25870 5318 1 8 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.152 -0.028 25870 5319 1 8 . 1 1 818 818 ARG CA C 818 57.684 57.684 56.732 0.952 25870 5320 1 8 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.111 1.204 25870 5321 1 8 . 1 1 818 818 ARG H H 818 7.288 7.288 8.062 -0.774 25870 5322 1 8 . 1 1 819 819 GLU N N 819 119.737 119.737 118.293 1.444 25870 5323 1 8 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.062 0.039 25870 5324 1 8 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.836 -1.770 25870 5325 1 8 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.068 1.423 25870 5326 1 8 . 1 1 819 819 GLU H H 819 8.045 8.045 7.623 0.422 25870 5327 1 8 . 1 1 820 820 THR N N 820 112.128 112.128 110.650 1.478 25870 5328 1 8 . 1 1 820 820 THR HA H 820 4.280 4.280 3.977 0.303 25870 5329 1 8 . 1 1 820 820 THR CA C 820 62.055 62.055 62.767 -0.712 25870 5330 1 8 . 1 1 820 820 THR CB C 820 69.828 69.828 68.567 1.261 25870 5331 1 8 . 1 1 820 820 THR H H 820 7.760 7.760 7.424 0.336 25870 5332 1 8 . 1 1 821 821 ALA N N 821 126.098 126.098 124.987 1.111 25870 5333 1 8 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.498 -0.214 25870 5334 1 8 . 1 1 821 821 ALA CA C 821 52.726 52.726 51.111 1.615 25870 5335 1 8 . 1 1 821 821 ALA CB C 821 19.304 19.304 21.260 -1.956 25870 5336 1 8 . 1 1 821 821 ALA H H 821 7.957 7.957 7.341 0.616 25870 5337 1 8 . 1 1 822 822 ASP N N 822 119.904 119.904 122.211 -2.307 25870 5338 1 8 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.581 0.032 25870 5339 1 8 . 1 1 822 822 ASP CA C 822 54.335 54.335 55.222 -0.887 25870 5340 1 8 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.306 -0.274 25870 5341 1 8 . 1 1 822 822 ASP H H 822 8.352 8.352 8.401 -0.049 25870 5342 1 8 . 1 1 823 823 THR N N 823 114.142 114.142 116.982 -2.840 25870 5343 1 8 . 1 1 823 823 THR HA H 823 4.278 4.278 4.541 -0.263 25870 5344 1 8 . 1 1 823 823 THR CA C 823 62.117 62.117 60.585 1.532 25870 5345 1 8 . 1 1 823 823 THR CB C 823 69.584 69.584 71.700 -2.116 25870 5346 1 8 . 1 1 823 823 THR H H 823 8.079 8.079 7.561 0.518 25870 5347 1 8 . 1 1 824 824 ASP N N 824 123.261 123.261 122.964 0.297 25870 5348 1 8 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.427 0.230 25870 5349 1 8 . 1 1 824 824 ASP CA C 824 54.786 54.786 57.375 -2.589 25870 5350 1 8 . 1 1 824 824 ASP CB C 824 41.085 41.085 40.855 0.230 25870 5351 1 8 . 1 1 824 824 ASP H H 824 8.431 8.431 8.905 -0.474 25870 5352 1 8 . 1 1 825 825 THR N N 825 114.932 114.932 111.439 3.493 25870 5353 1 8 . 1 1 825 825 THR HA H 825 4.161 4.161 4.260 -0.099 25870 5354 1 8 . 1 1 825 825 THR CA C 825 63.109 63.109 64.716 -1.607 25870 5355 1 8 . 1 1 825 825 THR CB C 825 69.455 69.455 68.760 0.695 25870 5356 1 8 . 1 1 825 825 THR H H 825 8.155 8.155 8.509 -0.354 25870 5357 1 8 . 1 1 826 826 ALA N N 826 124.961 124.961 124.383 0.578 25870 5358 1 8 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.143 0.017 25870 5359 1 8 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.094 0.298 25870 5360 1 8 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.059 0.551 25870 5361 1 8 . 1 1 826 826 ALA H H 826 8.379 8.379 8.219 0.160 25870 5362 1 8 . 1 1 827 827 ASP N N 827 117.765 117.765 117.470 0.295 25870 5363 1 8 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.352 0.073 25870 5364 1 8 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.053 -1.002 25870 5365 1 8 . 1 1 827 827 ASP CB C 827 40.559 40.559 40.971 -0.412 25870 5366 1 8 . 1 1 827 827 ASP H H 827 8.250 8.250 7.938 0.312 25870 5367 1 8 . 1 1 828 828 GLN N N 828 120.523 120.523 117.635 2.888 25870 5368 1 8 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.115 -0.024 25870 5369 1 8 . 1 1 828 828 GLN CA C 828 57.814 57.814 57.985 -0.171 25870 5370 1 8 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.816 -0.267 25870 5371 1 8 . 1 1 828 828 GLN H H 828 8.076 8.076 7.587 0.489 25870 5372 1 8 . 1 1 829 829 VAL N N 829 120.970 120.970 120.937 0.033 25870 5373 1 8 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.831 -0.306 25870 5374 1 8 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.624 0.570 25870 5375 1 8 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.656 -0.115 25870 5376 1 8 . 1 1 829 829 VAL H H 829 8.051 8.051 7.321 0.730 25870 5377 1 8 . 1 1 830 830 MET N N 830 119.572 119.572 117.342 2.230 25870 5378 1 8 . 1 1 830 830 MET HA H 830 4.006 4.006 4.161 -0.155 25870 5379 1 8 . 1 1 830 830 MET CA C 830 57.977 57.977 55.200 2.777 25870 5380 1 8 . 1 1 830 830 MET CB C 830 31.995 31.995 29.921 2.074 25870 5381 1 8 . 1 1 830 830 MET H H 830 8.110 8.110 7.838 0.272 25870 5382 1 8 . 1 1 831 831 ALA N N 831 121.059 121.059 122.077 -1.018 25870 5383 1 8 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.375 0.670 25870 5384 1 8 . 1 1 831 831 ALA CA C 831 54.501 54.501 53.950 0.551 25870 5385 1 8 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.876 0.191 25870 5386 1 8 . 1 1 831 831 ALA H H 831 7.836 7.836 7.329 0.507 25870 5387 1 8 . 1 1 832 832 SER N N 832 114.256 114.256 115.854 -1.598 25870 5388 1 8 . 1 1 832 832 SER HA H 832 4.141 4.141 3.977 0.164 25870 5389 1 8 . 1 1 832 832 SER CA C 832 60.845 60.845 61.267 -0.423 25870 5390 1 8 . 1 1 832 832 SER CB C 832 62.613 62.613 62.742 -0.129 25870 5391 1 8 . 1 1 832 832 SER H H 832 7.714 7.714 7.603 0.111 25870 5392 1 8 . 1 1 833 833 PHE N N 833 121.847 121.847 118.684 3.163 25870 5393 1 8 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.251 -0.428 25870 5394 1 8 . 1 1 833 833 PHE CA C 833 58.627 58.627 57.388 1.239 25870 5395 1 8 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.296 0.831 25870 5396 1 8 . 1 1 833 833 PHE H H 833 7.740 7.740 7.276 0.464 25870 5397 1 8 . 1 1 834 834 LYS N N 834 118.759 118.759 120.699 -1.940 25870 5398 1 8 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.660 -0.071 25870 5399 1 8 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.376 1.008 25870 5400 1 8 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.971 0.172 25870 5401 1 8 . 1 1 834 834 LYS H H 834 7.843 7.843 8.054 -0.211 25870 5402 1 8 . 1 1 835 835 ILE N N 835 118.537 118.537 119.475 -0.938 25870 5403 1 8 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.753 -0.017 25870 5404 1 8 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.398 -0.684 25870 5405 1 8 . 1 1 835 835 ILE CB C 835 37.825 37.825 37.737 0.088 25870 5406 1 8 . 1 1 835 835 ILE H H 835 7.315 7.315 7.114 0.201 25870 5407 1 8 . 1 1 836 836 LEU N N 836 121.201 121.201 118.743 2.458 25870 5408 1 8 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.833 0.122 25870 5409 1 8 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.064 0.010 25870 5410 1 8 . 1 1 836 836 LEU CB C 836 42.415 42.415 41.996 0.419 25870 5411 1 8 . 1 1 836 836 LEU H H 836 7.625 7.625 7.979 -0.354 25870 5412 1 8 . 1 1 837 837 ALA N N 837 119.184 119.184 118.502 0.682 25870 5413 1 8 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.897 -0.002 25870 5414 1 8 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.858 -0.557 25870 5415 1 8 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.064 0.274 25870 5416 1 8 . 1 1 837 837 ALA H H 837 8.099 8.099 7.434 0.665 25870 5417 1 8 . 1 1 838 838 GLY N N 838 107.030 107.030 106.358 0.672 25870 5418 1 8 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.989 -0.071 25870 5419 1 8 . 1 1 838 838 GLY H H 838 7.676 7.676 8.521 -0.845 25870 5420 1 8 . 1 1 839 839 ASP N N 839 122.291 122.291 124.706 -2.415 25870 5421 1 8 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.691 -0.214 25870 5422 1 8 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.978 0.533 25870 5423 1 8 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.846 -1.665 25870 5424 1 8 . 1 1 839 839 ASP H H 839 8.704 8.704 8.138 0.566 25870 5425 1 8 . 1 1 840 840 LYS N N 840 117.582 117.582 121.042 -3.460 25870 5426 1 8 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.365 -0.064 25870 5427 1 8 . 1 1 840 840 LYS CA C 840 55.780 55.780 56.045 -0.266 25870 5428 1 8 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.061 0.649 25870 5429 1 8 . 1 1 840 840 LYS H H 840 7.583 7.583 7.458 0.125 25870 5430 1 8 . 1 1 841 841 ASN N N 841 116.678 116.678 116.393 0.285 25870 5431 1 8 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.584 0.027 25870 5432 1 8 . 1 1 841 841 ASN CA C 841 53.466 53.466 53.959 -0.493 25870 5433 1 8 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.130 0.025 25870 5434 1 8 . 1 1 841 841 ASN H H 841 8.693 8.693 8.998 -0.305 25870 5435 1 8 . 1 1 842 842 TYR N N 842 112.236 112.236 114.072 -1.836 25870 5436 1 8 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.785 0.201 25870 5437 1 8 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.104 -1.186 25870 5438 1 8 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.515 0.080 25870 5439 1 8 . 1 1 842 842 TYR H H 842 6.637 6.637 7.300 -0.663 25870 5440 1 8 . 1 1 843 843 ILE N N 843 115.475 115.475 122.039 -6.564 25870 5441 1 8 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.432 0.360 25870 5442 1 8 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.292 0.665 25870 5443 1 8 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.760 0.249 25870 5444 1 8 . 1 1 843 843 ILE H H 843 8.630 8.630 9.249 -0.619 25870 5445 1 8 . 1 1 844 844 THR N N 844 117.169 117.169 118.606 -1.437 25870 5446 1 8 . 1 1 844 844 THR HA H 844 5.370 5.370 5.206 0.164 25870 5447 1 8 . 1 1 844 844 THR CA C 844 60.177 60.177 60.712 -0.535 25870 5448 1 8 . 1 1 844 844 THR CB C 844 71.088 71.088 70.575 0.513 25870 5449 1 8 . 1 1 844 844 THR H H 844 9.330 9.330 9.348 -0.018 25870 5450 1 8 . 1 1 845 845 MET N N 845 119.860 119.860 120.737 -0.877 25870 5451 1 8 . 1 1 845 845 MET HA H 845 3.824 3.824 4.044 -0.220 25870 5452 1 8 . 1 1 845 845 MET CA C 845 60.321 60.321 60.366 -0.045 25870 5453 1 8 . 1 1 845 845 MET CB C 845 33.030 33.030 32.297 0.733 25870 5454 1 8 . 1 1 845 845 MET H H 845 8.556 8.556 8.731 -0.175 25870 5455 1 8 . 1 1 846 846 ASP N N 846 116.363 116.363 117.547 -1.184 25870 5456 1 8 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.483 -0.203 25870 5457 1 8 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.170 1.234 25870 5458 1 8 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.577 0.007 25870 5459 1 8 . 1 1 846 846 ASP H H 846 8.377 8.377 8.644 -0.267 25870 5460 1 8 . 1 1 847 847 GLU N N 847 120.577 120.577 118.512 2.065 25870 5461 1 8 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.154 -0.300 25870 5462 1 8 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.969 0.688 25870 5463 1 8 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.116 -0.456 25870 5464 1 8 . 1 1 847 847 GLU H H 847 7.855 7.855 7.528 0.327 25870 5465 1 8 . 1 1 848 848 LEU N N 848 118.714 118.714 119.287 -0.573 25870 5466 1 8 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.079 -0.257 25870 5467 1 8 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.753 0.972 25870 5468 1 8 . 1 1 848 848 LEU CB C 848 42.457 42.457 42.067 0.390 25870 5469 1 8 . 1 1 848 848 LEU H H 848 7.849 7.849 7.552 0.297 25870 5470 1 8 . 1 1 849 849 ARG N N 849 113.972 113.972 115.212 -1.240 25870 5471 1 8 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.505 -0.581 25870 5472 1 8 . 1 1 849 849 ARG CA C 849 58.595 58.595 56.870 1.725 25870 5473 1 8 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.338 0.762 25870 5474 1 8 . 1 1 849 849 ARG H H 849 8.053 8.053 7.762 0.291 25870 5475 1 8 . 1 1 850 850 ARG N N 850 118.178 118.178 118.613 -0.435 25870 5476 1 8 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.394 -0.201 25870 5477 1 8 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.742 0.503 25870 5478 1 8 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.019 0.101 25870 5479 1 8 . 1 1 850 850 ARG H H 850 7.743 7.743 7.483 0.260 25870 5480 1 8 . 1 1 851 851 GLU N N 851 115.518 115.518 119.104 -3.586 25870 5481 1 8 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.303 0.047 25870 5482 1 8 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.856 -0.970 25870 5483 1 8 . 1 1 851 851 GLU CB C 851 31.590 31.590 30.915 0.675 25870 5484 1 8 . 1 1 851 851 GLU H H 851 7.596 7.596 7.794 -0.198 25870 5485 1 8 . 1 1 852 852 LEU N N 852 119.148 119.148 120.489 -1.341 25870 5486 1 8 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.398 -0.504 25870 5487 1 8 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.512 0.662 25870 5488 1 8 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.655 0.814 25870 5489 1 8 . 1 1 852 852 LEU H H 852 7.890 7.890 7.940 -0.050 25870 5490 1 8 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.424 -0.077 25870 5491 1 8 . 1 1 853 853 PRO CA C 853 65.119 65.119 63.953 1.166 25870 5492 1 8 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.473 1.158 25870 5493 1 8 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.492 -0.222 25870 5494 1 8 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.796 4.540 25870 5495 1 8 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.194 -0.938 25870 5496 1 8 . 1 1 855 855 ASP N N 855 114.865 114.865 119.016 -4.151 25870 5497 1 8 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.417 -0.068 25870 5498 1 8 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.614 -0.701 25870 5499 1 8 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.963 -1.719 25870 5500 1 8 . 1 1 855 855 ASP H H 855 8.801 8.801 8.247 0.554 25870 5501 1 8 . 1 1 856 856 GLN N N 856 121.465 121.465 118.396 3.069 25870 5502 1 8 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.286 -0.087 25870 5503 1 8 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.354 -1.037 25870 5504 1 8 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.259 0.988 25870 5505 1 8 . 1 1 856 856 GLN H H 856 7.472 7.472 8.486 -1.014 25870 5506 1 8 . 1 1 857 857 ALA N N 857 122.805 122.805 122.423 0.382 25870 5507 1 8 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.895 -0.096 25870 5508 1 8 . 1 1 857 857 ALA CA C 857 56.303 56.303 56.175 0.128 25870 5509 1 8 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.297 -0.352 25870 5510 1 8 . 1 1 857 857 ALA H H 857 8.882 8.882 8.210 0.672 25870 5511 1 8 . 1 1 858 858 GLU N N 858 114.094 114.094 119.097 -5.003 25870 5512 1 8 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.003 0.021 25870 5513 1 8 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.804 -0.122 25870 5514 1 8 . 1 1 858 858 GLU CB C 858 28.639 28.639 28.963 -0.324 25870 5515 1 8 . 1 1 858 858 GLU H H 858 8.155 8.155 7.888 0.267 25870 5516 1 8 . 1 1 859 859 TYR N N 859 120.665 120.665 122.136 -1.471 25870 5517 1 8 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.148 -0.064 25870 5518 1 8 . 1 1 859 859 TYR CA C 859 61.006 61.006 60.761 0.245 25870 5519 1 8 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.145 0.542 25870 5520 1 8 . 1 1 859 859 TYR H H 859 7.708 7.708 8.476 -0.768 25870 5521 1 8 . 1 1 860 860 CYS N N 860 115.812 115.812 117.944 -2.132 25870 5522 1 8 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.330 0.828 25870 5523 1 8 . 1 1 860 860 CYS CA C 860 64.254 64.254 64.117 0.137 25870 5524 1 8 . 1 1 860 860 CYS CB C 860 27.304 27.304 27.165 0.140 25870 5525 1 8 . 1 1 860 860 CYS H H 860 8.113 8.113 7.761 0.352 25870 5526 1 8 . 1 1 861 861 ILE N N 861 120.078 120.078 119.906 0.172 25870 5527 1 8 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.638 -0.299 25870 5528 1 8 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.370 0.273 25870 5529 1 8 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.656 1.058 25870 5530 1 8 . 1 1 861 861 ILE H H 861 8.453 8.453 8.155 0.298 25870 5531 1 8 . 1 1 862 862 ALA N N 862 116.691 116.691 121.688 -4.997 25870 5532 1 8 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.021 0.188 25870 5533 1 8 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.747 -1.525 25870 5534 1 8 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.682 0.320 25870 5535 1 8 . 1 1 862 862 ALA H H 862 7.307 7.307 8.276 -0.969 25870 5536 1 8 . 1 1 863 863 ARG N N 863 117.226 117.226 115.836 1.390 25870 5537 1 8 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.502 -0.228 25870 5538 1 8 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.193 -0.142 25870 5539 1 8 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.889 0.500 25870 5540 1 8 . 1 1 863 863 ARG H H 863 7.358 7.358 7.417 -0.059 25870 5541 1 8 . 1 1 864 864 MET N N 864 117.583 117.583 118.759 -1.176 25870 5542 1 8 . 1 1 864 864 MET HA H 864 4.561 4.561 4.441 0.119 25870 5543 1 8 . 1 1 864 864 MET CA C 864 54.927 54.927 55.747 -0.820 25870 5544 1 8 . 1 1 864 864 MET CB C 864 37.418 37.418 34.225 3.193 25870 5545 1 8 . 1 1 864 864 MET H H 864 7.153 7.153 7.400 -0.247 25870 5546 1 8 . 1 1 865 865 ALA N N 865 124.643 124.643 125.409 -0.766 25870 5547 1 8 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.643 -0.777 25870 5548 1 8 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.615 -0.421 25870 5549 1 8 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.406 0.241 25870 5550 1 8 . 1 1 865 865 ALA H H 865 8.557 8.557 8.131 0.426 25870 5551 1 8 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.509 -0.013 25870 5552 1 8 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.906 -0.182 25870 5553 1 8 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.396 1.584 25870 5554 1 8 . 1 1 867 867 TYR N N 867 122.461 122.461 125.800 -3.339 25870 5555 1 8 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.476 0.252 25870 5556 1 8 . 1 1 867 867 TYR CA C 867 57.096 57.096 57.096 0.000 25870 5557 1 8 . 1 1 867 867 TYR CB C 867 39.175 39.175 37.389 1.786 25870 5558 1 8 . 1 1 867 867 TYR H H 867 8.128 8.128 8.097 0.031 25870 5559 1 8 . 1 1 868 868 THR HA H 868 4.351 4.351 4.645 -0.294 25870 5560 1 8 . 1 1 868 868 THR CA C 868 60.271 60.271 59.636 0.635 25870 5561 1 8 . 1 1 868 868 THR CB C 868 68.737 68.737 71.412 -2.675 25870 5562 1 8 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.281 -0.367 25870 5563 1 8 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.465 -0.136 25870 5564 1 8 . 1 1 870 870 PRO CA C 870 64.697 64.697 64.050 0.647 25870 5565 1 8 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.290 -0.711 25870 5566 1 8 . 1 1 871 871 ASP N N 871 116.207 116.207 117.828 -1.621 25870 5567 1 8 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.707 -0.103 25870 5568 1 8 . 1 1 871 871 ASP CA C 871 52.749 52.749 54.160 -1.411 25870 5569 1 8 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.955 -2.026 25870 5570 1 8 . 1 1 871 871 ASP H H 871 9.267 9.267 8.256 1.011 25870 5571 1 8 . 1 1 872 872 SER N N 872 112.349 112.349 115.010 -2.661 25870 5572 1 8 . 1 1 872 872 SER HA H 872 3.497 3.497 4.529 -1.032 25870 5573 1 8 . 1 1 872 872 SER CA C 872 59.065 59.065 57.964 1.101 25870 5574 1 8 . 1 1 872 872 SER CB C 872 63.125 63.125 65.027 -1.902 25870 5575 1 8 . 1 1 872 872 SER H H 872 7.487 7.487 7.225 0.262 25870 5576 1 8 . 1 1 873 873 VAL N N 873 113.567 113.567 115.756 -2.189 25870 5577 1 8 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.479 0.250 25870 5578 1 8 . 1 1 873 873 VAL CA C 873 58.044 58.044 58.531 -0.487 25870 5579 1 8 . 1 1 873 873 VAL CB C 873 32.911 32.911 31.728 1.183 25870 5580 1 8 . 1 1 873 873 VAL H H 873 6.411 6.411 8.055 -1.644 25870 5581 1 8 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.445 -0.149 25870 5582 1 8 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.606 0.729 25870 5583 1 8 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.880 -0.365 25870 5584 1 8 . 1 1 875 875 GLY N N 875 112.118 112.118 107.300 4.818 25870 5585 1 8 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.813 0.744 25870 5586 1 8 . 1 1 875 875 GLY H H 875 8.800 8.800 8.049 0.751 25870 5587 1 8 . 1 1 876 876 ALA N N 876 120.262 120.262 124.326 -4.064 25870 5588 1 8 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.687 -1.587 25870 5589 1 8 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.235 2.838 25870 5590 1 8 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.793 -1.285 25870 5591 1 8 . 1 1 876 876 ALA H H 876 7.762 7.762 7.784 -0.022 25870 5592 1 8 . 1 1 877 877 LEU N N 877 125.695 125.695 120.955 4.740 25870 5593 1 8 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.187 -0.411 25870 5594 1 8 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.727 0.542 25870 5595 1 8 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.147 -2.348 25870 5596 1 8 . 1 1 877 877 LEU H H 877 9.595 9.595 9.345 0.250 25870 5597 1 8 . 1 1 878 878 ASP N N 878 119.823 119.823 121.258 -1.435 25870 5598 1 8 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.528 0.351 25870 5599 1 8 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.211 -0.214 25870 5600 1 8 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.479 -0.698 25870 5601 1 8 . 1 1 878 878 ASP H H 878 9.031 9.031 8.030 1.001 25870 5602 1 8 . 1 1 879 879 TYR N N 879 126.556 126.556 123.513 3.043 25870 5603 1 8 . 1 1 879 879 TYR HA H 879 4.591 4.591 3.891 0.700 25870 5604 1 8 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.673 -0.277 25870 5605 1 8 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.394 -0.073 25870 5606 1 8 . 1 1 879 879 TYR H H 879 7.456 7.456 8.012 -0.556 25870 5607 1 8 . 1 1 880 880 MET N N 880 119.958 119.958 114.593 5.365 25870 5608 1 8 . 1 1 880 880 MET HA H 880 4.605 4.605 4.689 -0.084 25870 5609 1 8 . 1 1 880 880 MET CA C 880 56.044 56.044 57.106 -1.062 25870 5610 1 8 . 1 1 880 880 MET CB C 880 30.101 30.101 33.296 -3.195 25870 5611 1 8 . 1 1 880 880 MET H H 880 7.627 7.627 7.376 0.251 25870 5612 1 8 . 1 1 881 881 SER N N 881 114.328 114.328 115.919 -1.591 25870 5613 1 8 . 1 1 881 881 SER HA H 881 4.471 4.471 4.578 -0.107 25870 5614 1 8 . 1 1 881 881 SER CA C 881 58.917 58.917 57.271 1.646 25870 5615 1 8 . 1 1 881 881 SER CB C 881 64.447 64.447 63.633 0.814 25870 5616 1 8 . 1 1 881 881 SER H H 881 7.726 7.726 8.040 -0.314 25870 5617 1 8 . 1 1 882 882 PHE N N 882 122.735 122.735 120.206 2.529 25870 5618 1 8 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.319 0.403 25870 5619 1 8 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.492 1.739 25870 5620 1 8 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.138 1.147 25870 5621 1 8 . 1 1 882 882 PHE H H 882 7.385 7.385 7.275 0.110 25870 5622 1 8 . 1 1 883 883 SER N N 883 120.156 120.156 117.292 2.864 25870 5623 1 8 . 1 1 883 883 SER HA H 883 4.299 4.299 4.348 -0.049 25870 5624 1 8 . 1 1 883 883 SER CA C 883 57.280 57.280 58.497 -1.217 25870 5625 1 8 . 1 1 883 883 SER CB C 883 64.601 64.601 64.079 0.522 25870 5626 1 8 . 1 1 883 883 SER H H 883 7.472 7.472 8.221 -0.749 25870 5627 1 8 . 1 1 884 884 THR N N 884 110.683 110.683 114.390 -3.707 25870 5628 1 8 . 1 1 884 884 THR HA H 884 3.966 3.966 4.156 -0.190 25870 5629 1 8 . 1 1 884 884 THR CA C 884 63.465 63.465 62.733 0.732 25870 5630 1 8 . 1 1 884 884 THR CB C 884 68.899 68.899 69.134 -0.235 25870 5631 1 8 . 1 1 884 884 THR H H 884 7.996 7.996 8.150 -0.154 25870 5632 1 8 . 1 1 885 885 ALA N N 885 125.456 125.456 124.204 1.252 25870 5633 1 8 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.521 -0.285 25870 5634 1 8 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.040 0.990 25870 5635 1 8 . 1 1 885 885 ALA CB C 885 19.225 19.225 20.391 -1.166 25870 5636 1 8 . 1 1 885 885 ALA H H 885 7.905 7.905 7.502 0.403 25870 5637 1 8 . 1 1 886 886 LEU N N 886 120.638 120.638 120.982 -0.344 25870 5638 1 8 . 1 1 886 886 LEU HA H 886 4.002 4.002 4.430 -0.428 25870 5639 1 8 . 1 1 886 886 LEU CA C 886 55.462 55.462 54.500 0.962 25870 5640 1 8 . 1 1 886 886 LEU CB C 886 42.265 42.265 43.239 -0.974 25870 5641 1 8 . 1 1 886 886 LEU H H 886 8.079 8.079 8.395 -0.316 25870 5642 1 8 . 1 1 887 887 TYR N N 887 121.526 121.526 118.348 3.178 25870 5643 1 8 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.651 -0.295 25870 5644 1 8 . 1 1 887 887 TYR CA C 887 58.750 58.750 57.280 1.470 25870 5645 1 8 . 1 1 887 887 TYR CB C 887 38.569 38.569 35.925 2.644 25870 5646 1 8 . 1 1 887 887 TYR H H 887 8.267 8.267 8.883 -0.616 25870 5647 1 8 . 1 1 888 888 GLY N N 888 112.379 112.379 109.869 2.510 25870 5648 1 8 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.490 0.600 25870 5649 1 8 . 1 1 888 888 GLY H H 888 8.087 8.087 8.190 -0.103 25870 5650 1 8 . 1 1 889 889 GLU N N 889 120.255 120.255 120.672 -0.417 25870 5651 1 8 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.240 0.016 25870 5652 1 8 . 1 1 889 889 GLU CA C 889 56.445 56.445 57.413 -0.969 25870 5653 1 8 . 1 1 889 889 GLU CB C 889 30.393 30.393 29.990 0.403 25870 5654 1 8 . 1 1 889 889 GLU H H 889 7.994 7.994 7.734 0.260 25870 5655 1 8 . 1 1 890 890 SER N N 890 116.375 116.375 117.588 -1.213 25870 5656 1 8 . 1 1 890 890 SER HA H 890 4.415 4.415 4.697 -0.282 25870 5657 1 8 . 1 1 890 890 SER CA C 890 58.204 58.204 58.091 0.113 25870 5658 1 8 . 1 1 890 890 SER CB C 890 63.913 63.913 63.759 0.154 25870 5659 1 8 . 1 1 890 890 SER H H 890 8.329 8.329 8.443 -0.114 25870 5660 1 8 . 1 1 891 891 ASP N N 891 123.017 123.017 121.079 1.938 25870 5661 1 8 . 1 1 891 891 ASP HA H 891 4.610 4.610 5.288 -0.678 25870 5662 1 8 . 1 1 891 891 ASP CA C 891 54.371 54.371 53.674 0.697 25870 5663 1 8 . 1 1 891 891 ASP CB C 891 41.013 41.013 43.046 -2.033 25870 5664 1 8 . 1 1 891 891 ASP H H 891 8.394 8.394 8.219 0.175 25870 5665 1 9 . 1 1 742 742 SER HA H 742 4.525 4.525 4.532 -0.007 25870 5666 1 9 . 1 1 742 742 SER CA C 742 58.148 58.148 58.106 0.042 25870 5667 1 9 . 1 1 742 742 SER CB C 742 63.791 63.791 63.345 0.446 25870 5668 1 9 . 1 1 743 743 ILE N N 743 122.172 122.172 122.612 -0.440 25870 5669 1 9 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.040 0.322 25870 5670 1 9 . 1 1 743 743 ILE CA C 743 60.421 60.421 62.165 -1.744 25870 5671 1 9 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.713 0.453 25870 5672 1 9 . 1 1 743 743 ILE H H 743 8.132 8.132 8.317 -0.185 25870 5673 1 9 . 1 1 744 744 SER N N 744 123.144 123.144 119.908 3.236 25870 5674 1 9 . 1 1 744 744 SER HA H 744 4.449 4.449 4.562 -0.113 25870 5675 1 9 . 1 1 744 744 SER CA C 744 57.463 57.463 56.883 0.581 25870 5676 1 9 . 1 1 744 744 SER CB C 744 65.219 65.219 64.903 0.315 25870 5677 1 9 . 1 1 744 744 SER H H 744 8.848 8.848 8.486 0.362 25870 5678 1 9 . 1 1 745 745 GLN N N 745 121.619 121.619 123.921 -2.302 25870 5679 1 9 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.095 -0.143 25870 5680 1 9 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.224 -0.456 25870 5681 1 9 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.731 -0.219 25870 5682 1 9 . 1 1 745 745 GLN H H 745 9.042 9.042 8.987 0.055 25870 5683 1 9 . 1 1 746 746 GLU N N 746 118.648 118.648 119.498 -0.850 25870 5684 1 9 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.130 -0.126 25870 5685 1 9 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.922 1.301 25870 5686 1 9 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.475 -0.621 25870 5687 1 9 . 1 1 746 746 GLU H H 746 8.721 8.721 7.741 0.980 25870 5688 1 9 . 1 1 747 747 GLN N N 747 120.463 120.463 119.885 0.578 25870 5689 1 9 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.140 -0.374 25870 5690 1 9 . 1 1 747 747 GLN CA C 747 58.306 58.306 59.067 -0.761 25870 5691 1 9 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.178 0.770 25870 5692 1 9 . 1 1 747 747 GLN H H 747 7.838 7.838 8.482 -0.644 25870 5693 1 9 . 1 1 748 748 MET N N 748 119.252 119.252 115.781 3.471 25870 5694 1 9 . 1 1 748 748 MET HA H 748 4.200 4.200 4.413 -0.213 25870 5695 1 9 . 1 1 748 748 MET CA C 748 58.096 58.096 59.398 -1.302 25870 5696 1 9 . 1 1 748 748 MET CB C 748 30.900 30.900 32.356 -1.456 25870 5697 1 9 . 1 1 748 748 MET H H 748 8.473 8.473 8.266 0.207 25870 5698 1 9 . 1 1 749 749 ASN N N 749 117.740 117.740 118.739 -0.999 25870 5699 1 9 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.441 0.033 25870 5700 1 9 . 1 1 749 749 ASN CA C 749 55.795 55.795 56.102 -0.308 25870 5701 1 9 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.547 -1.134 25870 5702 1 9 . 1 1 749 749 ASN H H 749 8.334 8.334 7.591 0.743 25870 5703 1 9 . 1 1 750 750 GLU N N 750 122.848 122.848 119.404 3.444 25870 5704 1 9 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.111 0.093 25870 5705 1 9 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.480 0.861 25870 5706 1 9 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.546 -0.362 25870 5707 1 9 . 1 1 750 750 GLU H H 750 7.838 7.838 8.309 -0.471 25870 5708 1 9 . 1 1 751 751 PHE N N 751 120.177 120.177 122.886 -2.709 25870 5709 1 9 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.383 0.638 25870 5710 1 9 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.578 -1.225 25870 5711 1 9 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.459 -1.662 25870 5712 1 9 . 1 1 751 751 PHE H H 751 8.785 8.785 8.732 0.053 25870 5713 1 9 . 1 1 752 752 ARG N N 752 120.528 120.528 120.440 0.088 25870 5714 1 9 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.953 0.207 25870 5715 1 9 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.285 1.419 25870 5716 1 9 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.608 1.359 25870 5717 1 9 . 1 1 752 752 ARG H H 752 9.016 9.016 8.069 0.947 25870 5718 1 9 . 1 1 753 753 ALA N N 753 121.112 121.112 122.745 -1.633 25870 5719 1 9 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.470 -0.225 25870 5720 1 9 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.533 0.798 25870 5721 1 9 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.842 -0.019 25870 5722 1 9 . 1 1 753 753 ALA H H 753 8.100 8.100 7.866 0.234 25870 5723 1 9 . 1 1 754 754 SER N N 754 115.589 115.589 115.374 0.215 25870 5724 1 9 . 1 1 754 754 SER HA H 754 4.452 4.452 4.268 0.184 25870 5725 1 9 . 1 1 754 754 SER CA C 754 62.675 62.675 60.574 2.101 25870 5726 1 9 . 1 1 754 754 SER CB C 754 63.359 63.359 62.384 0.975 25870 5727 1 9 . 1 1 754 754 SER H H 754 8.391 8.391 7.879 0.512 25870 5728 1 9 . 1 1 755 755 PHE N N 755 121.886 121.886 118.478 3.408 25870 5729 1 9 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.918 -0.276 25870 5730 1 9 . 1 1 755 755 PHE CA C 755 61.964 61.964 58.826 3.138 25870 5731 1 9 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.075 1.747 25870 5732 1 9 . 1 1 755 755 PHE H H 755 8.675 8.675 7.747 0.928 25870 5733 1 9 . 1 1 756 756 ASN N N 756 113.618 113.618 113.766 -0.148 25870 5734 1 9 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.082 0.345 25870 5735 1 9 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.572 3.039 25870 5736 1 9 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.089 -0.251 25870 5737 1 9 . 1 1 756 756 ASN H H 756 8.593 8.593 7.773 0.820 25870 5738 1 9 . 1 1 757 757 HIS N N 757 119.679 119.679 120.560 -0.881 25870 5739 1 9 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.249 -0.170 25870 5740 1 9 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.688 0.656 25870 5741 1 9 . 1 1 757 757 HIS CB C 757 29.889 29.889 29.901 -0.011 25870 5742 1 9 . 1 1 757 757 HIS H H 757 8.139 8.139 7.327 0.812 25870 5743 1 9 . 1 1 758 758 PHE N N 758 113.051 113.051 116.252 -3.201 25870 5744 1 9 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.407 -0.346 25870 5745 1 9 . 1 1 758 758 PHE CA C 758 60.697 60.697 57.891 2.806 25870 5746 1 9 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.307 -1.572 25870 5747 1 9 . 1 1 758 758 PHE H H 758 7.585 7.585 7.480 0.105 25870 5748 1 9 . 1 1 759 759 ASP N N 759 120.916 120.916 121.580 -0.664 25870 5749 1 9 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.468 0.041 25870 5750 1 9 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.807 -2.636 25870 5751 1 9 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.609 -2.600 25870 5752 1 9 . 1 1 759 759 ASP H H 759 7.423 7.423 7.846 -0.423 25870 5753 1 9 . 1 1 760 760 ARG N N 760 124.819 124.819 125.823 -1.004 25870 5754 1 9 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.070 -0.302 25870 5755 1 9 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.565 -0.290 25870 5756 1 9 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.614 -0.365 25870 5757 1 9 . 1 1 760 760 ARG H H 760 7.781 7.781 8.374 -0.593 25870 5758 1 9 . 1 1 761 761 ASP N N 761 113.673 113.673 114.414 -0.741 25870 5759 1 9 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.739 -0.256 25870 5760 1 9 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.744 -1.767 25870 5761 1 9 . 1 1 761 761 ASP CB C 761 39.522 39.522 41.153 -1.631 25870 5762 1 9 . 1 1 761 761 ASP H H 761 7.821 7.821 8.299 -0.478 25870 5763 1 9 . 1 1 762 762 HIS N N 762 114.966 114.966 118.103 -3.137 25870 5764 1 9 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.153 0.008 25870 5765 1 9 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.754 -0.136 25870 5766 1 9 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.628 -2.248 25870 5767 1 9 . 1 1 762 762 HIS H H 762 7.744 7.744 8.089 -0.345 25870 5768 1 9 . 1 1 763 763 SER N N 763 115.077 115.077 113.412 1.665 25870 5769 1 9 . 1 1 763 763 SER HA H 763 4.336 4.336 4.327 0.009 25870 5770 1 9 . 1 1 763 763 SER CA C 763 59.860 59.860 59.402 0.458 25870 5771 1 9 . 1 1 763 763 SER CB C 763 65.192 65.192 64.471 0.721 25870 5772 1 9 . 1 1 763 763 SER H H 763 8.726 8.726 8.200 0.526 25870 5773 1 9 . 1 1 764 764 GLY N N 764 116.915 116.915 111.193 5.722 25870 5774 1 9 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.498 -0.049 25870 5775 1 9 . 1 1 764 764 GLY H H 764 11.017 11.017 8.668 2.349 25870 5776 1 9 . 1 1 765 765 THR N N 765 107.334 107.334 110.968 -3.634 25870 5777 1 9 . 1 1 765 765 THR HA H 765 4.829 4.829 5.255 -0.426 25870 5778 1 9 . 1 1 765 765 THR CA C 765 58.759 58.759 60.944 -2.185 25870 5779 1 9 . 1 1 765 765 THR CB C 765 73.383 73.383 71.907 1.476 25870 5780 1 9 . 1 1 765 765 THR H H 765 7.693 7.693 8.183 -0.490 25870 5781 1 9 . 1 1 766 766 LEU N N 766 124.664 124.664 124.908 -0.244 25870 5782 1 9 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.781 0.119 25870 5783 1 9 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.711 -1.372 25870 5784 1 9 . 1 1 766 766 LEU CB C 766 42.339 42.339 42.928 -0.589 25870 5785 1 9 . 1 1 766 766 LEU H H 766 9.209 9.209 8.820 0.389 25870 5786 1 9 . 1 1 767 767 GLY N N 767 112.024 112.024 111.871 0.153 25870 5787 1 9 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.770 0.353 25870 5788 1 9 . 1 1 767 767 GLY H H 767 8.910 8.910 8.881 0.029 25870 5789 1 9 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.516 -0.198 25870 5790 1 9 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.223 0.904 25870 5791 1 9 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.096 -0.067 25870 5792 1 9 . 1 1 769 769 GLU N N 769 115.246 115.246 116.955 -1.709 25870 5793 1 9 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.123 -0.152 25870 5794 1 9 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.316 1.305 25870 5795 1 9 . 1 1 769 769 GLU CB C 769 28.628 28.628 29.025 -0.397 25870 5796 1 9 . 1 1 769 769 GLU H H 769 8.622 8.622 9.012 -0.390 25870 5797 1 9 . 1 1 770 770 GLU N N 770 121.127 121.127 117.910 3.217 25870 5798 1 9 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.224 0.048 25870 5799 1 9 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.397 0.100 25870 5800 1 9 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.953 1.419 25870 5801 1 9 . 1 1 770 770 GLU H H 770 7.493 7.493 8.076 -0.583 25870 5802 1 9 . 1 1 771 771 PHE N N 771 117.688 117.688 122.185 -4.497 25870 5803 1 9 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.275 0.080 25870 5804 1 9 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.677 -2.052 25870 5805 1 9 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.464 -0.654 25870 5806 1 9 . 1 1 771 771 PHE H H 771 9.110 9.110 8.979 0.131 25870 5807 1 9 . 1 1 772 772 LYS N N 772 119.789 119.789 118.438 1.351 25870 5808 1 9 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.700 -0.387 25870 5809 1 9 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.335 2.337 25870 5810 1 9 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.875 1.104 25870 5811 1 9 . 1 1 772 772 LYS H H 772 8.594 8.594 8.117 0.477 25870 5812 1 9 . 1 1 773 773 ALA N N 773 118.461 118.461 120.470 -2.009 25870 5813 1 9 . 1 1 773 773 ALA HA H 773 3.881 3.881 3.997 -0.116 25870 5814 1 9 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.800 1.214 25870 5815 1 9 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.915 -1.286 25870 5816 1 9 . 1 1 773 773 ALA H H 773 7.231 7.231 7.550 -0.319 25870 5817 1 9 . 1 1 774 774 CYS N N 774 120.913 120.913 118.940 1.973 25870 5818 1 9 . 1 1 774 774 CYS HA H 774 2.435 2.435 3.115 -0.680 25870 5819 1 9 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.946 -0.772 25870 5820 1 9 . 1 1 774 774 CYS CB C 774 26.215 26.215 26.261 -0.046 25870 5821 1 9 . 1 1 774 774 CYS H H 774 7.498 7.498 7.729 -0.231 25870 5822 1 9 . 1 1 775 775 LEU N N 775 119.201 119.201 118.416 0.785 25870 5823 1 9 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.588 0.178 25870 5824 1 9 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.232 1.700 25870 5825 1 9 . 1 1 775 775 LEU CB C 775 40.950 40.950 40.910 0.041 25870 5826 1 9 . 1 1 775 775 LEU H H 775 8.372 8.372 7.648 0.724 25870 5827 1 9 . 1 1 776 776 ILE N N 776 121.051 121.051 118.842 2.209 25870 5828 1 9 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.710 1.380 25870 5829 1 9 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.258 0.986 25870 5830 1 9 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.065 0.926 25870 5831 1 9 . 1 1 776 776 ILE H H 776 8.358 8.358 6.737 1.621 25870 5832 1 9 . 1 1 777 777 SER N N 777 119.109 119.109 114.652 4.457 25870 5833 1 9 . 1 1 777 777 SER HA H 777 4.291 4.291 4.203 0.088 25870 5834 1 9 . 1 1 777 777 SER CA C 777 61.725 61.725 60.330 1.395 25870 5835 1 9 . 1 1 777 777 SER CB C 777 62.995 62.995 62.849 0.146 25870 5836 1 9 . 1 1 777 777 SER H H 777 7.822 7.822 7.338 0.484 25870 5837 1 9 . 1 1 778 778 LEU N N 778 121.208 121.208 117.731 3.477 25870 5838 1 9 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.474 0.032 25870 5839 1 9 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.794 1.205 25870 5840 1 9 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.465 0.205 25870 5841 1 9 . 1 1 778 778 LEU H H 778 7.671 7.671 7.195 0.476 25870 5842 1 9 . 1 1 779 779 GLY N N 779 106.232 106.232 107.316 -1.084 25870 5843 1 9 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.063 0.224 25870 5844 1 9 . 1 1 779 779 GLY H H 779 7.897 7.897 7.305 0.592 25870 5845 1 9 . 1 1 780 780 TYR N N 780 120.772 120.772 119.673 1.099 25870 5846 1 9 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.587 -0.445 25870 5847 1 9 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.010 4.221 25870 5848 1 9 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.636 -0.295 25870 5849 1 9 . 1 1 780 780 TYR H H 780 8.072 8.072 7.493 0.579 25870 5850 1 9 . 1 1 781 781 ASP N N 781 124.304 124.304 118.551 5.753 25870 5851 1 9 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.713 -0.048 25870 5852 1 9 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.879 -0.731 25870 5853 1 9 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.233 -0.429 25870 5854 1 9 . 1 1 781 781 ASP H H 781 8.862 8.862 8.995 -0.133 25870 5855 1 9 . 1 1 782 782 ILE N N 782 122.271 122.271 112.492 9.779 25870 5856 1 9 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.472 -0.131 25870 5857 1 9 . 1 1 782 782 ILE CA C 782 58.992 58.992 58.997 -0.005 25870 5858 1 9 . 1 1 782 782 ILE CB C 782 37.907 37.907 41.973 -4.066 25870 5859 1 9 . 1 1 782 782 ILE H H 782 7.344 7.344 6.904 0.440 25870 5860 1 9 . 1 1 783 783 GLY N N 783 112.322 112.322 107.027 5.295 25870 5861 1 9 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.214 0.309 25870 5862 1 9 . 1 1 783 783 GLY H H 783 8.122 8.122 8.201 -0.079 25870 5863 1 9 . 1 1 784 784 ASN N N 784 118.727 118.727 117.914 0.813 25870 5864 1 9 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.804 0.078 25870 5865 1 9 . 1 1 784 784 ASN CA C 784 52.098 52.098 52.923 -0.825 25870 5866 1 9 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.992 -1.568 25870 5867 1 9 . 1 1 784 784 ASN H H 784 8.452 8.452 8.567 -0.115 25870 5868 1 9 . 1 1 785 785 ASP N N 785 119.826 119.826 120.095 -0.269 25870 5869 1 9 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.642 0.136 25870 5870 1 9 . 1 1 785 785 ASP CA C 785 52.164 52.164 53.409 -1.245 25870 5871 1 9 . 1 1 785 785 ASP CB C 785 39.657 39.657 40.939 -1.282 25870 5872 1 9 . 1 1 785 785 ASP H H 785 8.145 8.145 7.707 0.438 25870 5873 1 9 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.213 0.058 25870 5874 1 9 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.373 0.892 25870 5875 1 9 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.156 -0.145 25870 5876 1 9 . 1 1 787 787 GLN N N 787 118.097 118.097 118.478 -0.381 25870 5877 1 9 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.286 -0.145 25870 5878 1 9 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.202 0.913 25870 5879 1 9 . 1 1 787 787 GLN CB C 787 27.732 27.732 27.791 -0.059 25870 5880 1 9 . 1 1 787 787 GLN H H 787 8.409 8.409 8.629 -0.220 25870 5881 1 9 . 1 1 788 788 GLY N N 788 113.421 113.421 108.961 4.460 25870 5882 1 9 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.651 0.666 25870 5883 1 9 . 1 1 788 788 GLY H H 788 8.644 8.644 8.495 0.149 25870 5884 1 9 . 1 1 789 789 GLU N N 789 121.223 121.223 121.522 -0.299 25870 5885 1 9 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.218 -0.070 25870 5886 1 9 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.690 -0.346 25870 5887 1 9 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.488 -0.053 25870 5888 1 9 . 1 1 789 789 GLU H H 789 8.514 8.514 8.674 -0.160 25870 5889 1 9 . 1 1 790 790 ALA N N 790 122.879 122.879 122.255 0.624 25870 5890 1 9 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.213 0.034 25870 5891 1 9 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.109 -0.202 25870 5892 1 9 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.455 -0.675 25870 5893 1 9 . 1 1 790 790 ALA H H 790 8.024 8.024 7.547 0.477 25870 5894 1 9 . 1 1 791 791 GLU N N 791 122.622 122.622 119.132 3.490 25870 5895 1 9 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.137 0.550 25870 5896 1 9 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.596 -0.462 25870 5897 1 9 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.545 -0.484 25870 5898 1 9 . 1 1 791 791 GLU H H 791 8.280 8.280 7.761 0.519 25870 5899 1 9 . 1 1 792 792 PHE N N 792 119.949 119.949 121.618 -1.669 25870 5900 1 9 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.214 -0.176 25870 5901 1 9 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.237 0.575 25870 5902 1 9 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.552 0.046 25870 5903 1 9 . 1 1 792 792 PHE H H 792 8.722 8.722 8.854 -0.132 25870 5904 1 9 . 1 1 793 793 ALA N N 793 119.652 119.652 121.549 -1.897 25870 5905 1 9 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.390 0.464 25870 5906 1 9 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.520 0.382 25870 5907 1 9 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.913 -0.285 25870 5908 1 9 . 1 1 793 793 ALA H H 793 8.163 8.163 7.771 0.392 25870 5909 1 9 . 1 1 794 794 ARG N N 794 121.092 121.092 119.523 1.569 25870 5910 1 9 . 1 1 794 794 ARG HA H 794 3.910 3.910 4.019 -0.109 25870 5911 1 9 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.018 0.453 25870 5912 1 9 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.093 -0.001 25870 5913 1 9 . 1 1 794 794 ARG H H 794 8.034 8.034 7.853 0.181 25870 5914 1 9 . 1 1 795 795 ILE N N 795 121.394 121.394 120.435 0.959 25870 5915 1 9 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.754 -0.366 25870 5916 1 9 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.218 0.630 25870 5917 1 9 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.224 -0.015 25870 5918 1 9 . 1 1 795 795 ILE H H 795 8.049 8.049 8.205 -0.156 25870 5919 1 9 . 1 1 796 796 MET N N 796 119.012 119.012 118.777 0.235 25870 5920 1 9 . 1 1 796 796 MET HA H 796 4.155 4.155 3.934 0.221 25870 5921 1 9 . 1 1 796 796 MET CA C 796 56.470 56.470 58.155 -1.685 25870 5922 1 9 . 1 1 796 796 MET CB C 796 29.892 29.892 31.534 -1.642 25870 5923 1 9 . 1 1 796 796 MET H H 796 8.589 8.589 8.205 0.384 25870 5924 1 9 . 1 1 797 797 SER N N 797 114.132 114.132 112.890 1.242 25870 5925 1 9 . 1 1 797 797 SER HA H 797 4.097 4.097 4.269 -0.172 25870 5926 1 9 . 1 1 797 797 SER CA C 797 61.231 61.231 60.028 1.203 25870 5927 1 9 . 1 1 797 797 SER CB C 797 62.895 62.895 63.417 -0.522 25870 5928 1 9 . 1 1 797 797 SER H H 797 7.732 7.732 7.552 0.180 25870 5929 1 9 . 1 1 798 798 ILE N N 798 120.873 120.873 116.568 4.305 25870 5930 1 9 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.190 -0.372 25870 5931 1 9 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.042 0.833 25870 5932 1 9 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.927 -0.064 25870 5933 1 9 . 1 1 798 798 ILE H H 798 7.352 7.352 7.722 -0.370 25870 5934 1 9 . 1 1 799 799 VAL N N 799 110.552 110.552 112.829 -2.277 25870 5935 1 9 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.077 0.166 25870 5936 1 9 . 1 1 799 799 VAL CA C 799 62.616 62.616 60.760 1.856 25870 5937 1 9 . 1 1 799 799 VAL CB C 799 32.416 32.416 30.863 1.553 25870 5938 1 9 . 1 1 799 799 VAL H H 799 7.648 7.648 7.908 -0.260 25870 5939 1 9 . 1 1 800 800 ASP N N 800 119.435 119.435 120.370 -0.935 25870 5940 1 9 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.101 0.124 25870 5941 1 9 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.158 1.557 25870 5942 1 9 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.406 -0.320 25870 5943 1 9 . 1 1 800 800 ASP H H 800 8.074 8.074 7.412 0.662 25870 5944 1 9 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.431 -0.100 25870 5945 1 9 . 1 1 801 801 PRO CA C 801 64.819 64.819 64.035 0.784 25870 5946 1 9 . 1 1 801 801 PRO CB C 801 31.689 31.689 32.005 -0.316 25870 5947 1 9 . 1 1 802 802 ASN N N 802 115.164 115.164 115.810 -0.646 25870 5948 1 9 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.759 0.001 25870 5949 1 9 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.918 0.080 25870 5950 1 9 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.657 -1.705 25870 5951 1 9 . 1 1 802 802 ASN H H 802 8.949 8.949 7.656 1.293 25870 5952 1 9 . 1 1 803 803 ARG N N 803 117.446 117.446 116.284 1.162 25870 5953 1 9 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.170 -0.340 25870 5954 1 9 . 1 1 803 803 ARG CA C 803 56.888 56.888 57.026 -0.138 25870 5955 1 9 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.476 -1.122 25870 5956 1 9 . 1 1 803 803 ARG H H 803 7.958 7.958 7.894 0.064 25870 5957 1 9 . 1 1 804 804 LEU N N 804 123.307 123.307 116.541 6.766 25870 5958 1 9 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.718 -0.562 25870 5959 1 9 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.533 1.839 25870 5960 1 9 . 1 1 804 804 LEU CB C 804 42.930 42.930 42.038 0.892 25870 5961 1 9 . 1 1 804 804 LEU H H 804 10.591 10.591 8.156 2.435 25870 5962 1 9 . 1 1 805 805 GLY N N 805 110.516 110.516 107.569 2.947 25870 5963 1 9 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.778 -0.834 25870 5964 1 9 . 1 1 805 805 GLY H H 805 11.001 11.001 8.703 2.298 25870 5965 1 9 . 1 1 806 806 VAL N N 806 109.840 109.840 115.372 -5.532 25870 5966 1 9 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.330 0.241 25870 5967 1 9 . 1 1 806 806 VAL CA C 806 58.566 58.566 60.219 -1.653 25870 5968 1 9 . 1 1 806 806 VAL CB C 806 36.853 36.853 35.169 1.683 25870 5969 1 9 . 1 1 806 806 VAL H H 806 6.831 6.831 7.081 -0.250 25870 5970 1 9 . 1 1 807 807 VAL N N 807 122.184 122.184 122.756 -0.572 25870 5971 1 9 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.413 -0.246 25870 5972 1 9 . 1 1 807 807 VAL CA C 807 61.644 61.644 61.307 0.337 25870 5973 1 9 . 1 1 807 807 VAL CB C 807 32.383 32.383 31.776 0.607 25870 5974 1 9 . 1 1 807 807 VAL H H 807 9.007 9.007 8.893 0.114 25870 5975 1 9 . 1 1 808 808 THR N N 808 117.391 117.391 118.177 -0.786 25870 5976 1 9 . 1 1 808 808 THR HA H 808 4.593 4.593 4.688 -0.095 25870 5977 1 9 . 1 1 808 808 THR CA C 808 60.615 60.615 58.683 1.932 25870 5978 1 9 . 1 1 808 808 THR CB C 808 70.695 70.695 71.371 -0.676 25870 5979 1 9 . 1 1 808 808 THR H H 808 7.925 7.925 7.637 0.288 25870 5980 1 9 . 1 1 809 809 PHE N N 809 122.236 122.236 118.967 3.269 25870 5981 1 9 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.486 -0.846 25870 5982 1 9 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.354 0.395 25870 5983 1 9 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.530 0.647 25870 5984 1 9 . 1 1 809 809 PHE H H 809 9.349 9.349 8.192 1.157 25870 5985 1 9 . 1 1 810 810 GLN N N 810 116.788 116.788 116.659 0.129 25870 5986 1 9 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.216 -0.619 25870 5987 1 9 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.779 0.803 25870 5988 1 9 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.573 -0.374 25870 5989 1 9 . 1 1 810 810 GLN H H 810 8.572 8.572 7.836 0.736 25870 5990 1 9 . 1 1 811 811 ALA N N 811 121.208 121.208 121.822 -0.614 25870 5991 1 9 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.222 -0.103 25870 5992 1 9 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.692 1.219 25870 5993 1 9 . 1 1 811 811 ALA CB C 811 19.265 19.265 19.032 0.233 25870 5994 1 9 . 1 1 811 811 ALA H H 811 7.667 7.667 7.710 -0.043 25870 5995 1 9 . 1 1 812 812 PHE N N 812 119.805 119.805 118.841 0.964 25870 5996 1 9 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.397 -0.417 25870 5997 1 9 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.047 -0.307 25870 5998 1 9 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.752 0.918 25870 5999 1 9 . 1 1 812 812 PHE H H 812 8.400 8.400 8.336 0.064 25870 6000 1 9 . 1 1 813 813 ILE N N 813 118.098 118.098 118.627 -0.529 25870 6001 1 9 . 1 1 813 813 ILE HA H 813 3.146 3.146 3.974 -0.828 25870 6002 1 9 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.645 0.654 25870 6003 1 9 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.342 -0.140 25870 6004 1 9 . 1 1 813 813 ILE H H 813 8.364 8.364 7.878 0.486 25870 6005 1 9 . 1 1 814 814 ASP N N 814 123.528 123.528 120.625 2.903 25870 6006 1 9 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.335 -0.139 25870 6007 1 9 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.903 -0.223 25870 6008 1 9 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.818 -0.582 25870 6009 1 9 . 1 1 814 814 ASP H H 814 8.221 8.221 7.867 0.354 25870 6010 1 9 . 1 1 815 815 PHE N N 815 120.584 120.584 120.133 0.451 25870 6011 1 9 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.417 -0.288 25870 6012 1 9 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.489 0.595 25870 6013 1 9 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.631 0.067 25870 6014 1 9 . 1 1 815 815 PHE H H 815 7.887 7.887 7.864 0.023 25870 6015 1 9 . 1 1 816 816 MET N N 816 116.960 116.960 119.164 -2.204 25870 6016 1 9 . 1 1 816 816 MET HA H 816 3.782 3.782 4.030 -0.248 25870 6017 1 9 . 1 1 816 816 MET CA C 816 55.662 55.662 57.114 -1.452 25870 6018 1 9 . 1 1 816 816 MET CB C 816 30.033 30.033 31.453 -1.419 25870 6019 1 9 . 1 1 816 816 MET H H 816 8.372 8.372 8.005 0.367 25870 6020 1 9 . 1 1 817 817 SER N N 817 114.277 114.277 113.753 0.524 25870 6021 1 9 . 1 1 817 817 SER HA H 817 4.194 4.194 4.349 -0.155 25870 6022 1 9 . 1 1 817 817 SER CA C 817 60.521 60.521 60.609 -0.088 25870 6023 1 9 . 1 1 817 817 SER CB C 817 63.185 63.185 63.069 0.116 25870 6024 1 9 . 1 1 817 817 SER H H 817 8.074 8.074 8.392 -0.318 25870 6025 1 9 . 1 1 818 818 ARG N N 818 121.493 121.493 120.058 1.435 25870 6026 1 9 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.110 0.014 25870 6027 1 9 . 1 1 818 818 ARG CA C 818 57.684 57.684 58.175 -0.491 25870 6028 1 9 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.857 0.458 25870 6029 1 9 . 1 1 818 818 ARG H H 818 7.288 7.288 7.713 -0.425 25870 6030 1 9 . 1 1 819 819 GLU N N 819 119.737 119.737 117.715 2.022 25870 6031 1 9 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.101 -0.000 25870 6032 1 9 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.300 -1.234 25870 6033 1 9 . 1 1 819 819 GLU CB C 819 30.491 30.491 28.959 1.532 25870 6034 1 9 . 1 1 819 819 GLU H H 819 8.045 8.045 7.576 0.469 25870 6035 1 9 . 1 1 820 820 THR N N 820 112.128 112.128 108.926 3.202 25870 6036 1 9 . 1 1 820 820 THR HA H 820 4.280 4.280 4.011 0.269 25870 6037 1 9 . 1 1 820 820 THR CA C 820 62.055 62.055 62.093 -0.038 25870 6038 1 9 . 1 1 820 820 THR CB C 820 69.828 69.828 68.847 0.981 25870 6039 1 9 . 1 1 820 820 THR H H 820 7.760 7.760 7.374 0.386 25870 6040 1 9 . 1 1 821 821 ALA N N 821 126.098 126.098 123.086 3.012 25870 6041 1 9 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.525 -0.241 25870 6042 1 9 . 1 1 821 821 ALA CA C 821 52.726 52.726 51.112 1.614 25870 6043 1 9 . 1 1 821 821 ALA CB C 821 19.304 19.304 21.110 -1.806 25870 6044 1 9 . 1 1 821 821 ALA H H 821 7.957 7.957 7.165 0.792 25870 6045 1 9 . 1 1 822 822 ASP N N 822 119.904 119.904 120.950 -1.046 25870 6046 1 9 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.595 0.018 25870 6047 1 9 . 1 1 822 822 ASP CA C 822 54.335 54.335 55.170 -0.835 25870 6048 1 9 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.445 -0.413 25870 6049 1 9 . 1 1 822 822 ASP H H 822 8.352 8.352 8.407 -0.055 25870 6050 1 9 . 1 1 823 823 THR N N 823 114.142 114.142 114.223 -0.081 25870 6051 1 9 . 1 1 823 823 THR HA H 823 4.278 4.278 4.758 -0.480 25870 6052 1 9 . 1 1 823 823 THR CA C 823 62.117 62.117 60.416 1.701 25870 6053 1 9 . 1 1 823 823 THR CB C 823 69.584 69.584 72.477 -2.893 25870 6054 1 9 . 1 1 823 823 THR H H 823 8.079 8.079 8.315 -0.236 25870 6055 1 9 . 1 1 824 824 ASP N N 824 123.261 123.261 120.085 3.176 25870 6056 1 9 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.568 0.089 25870 6057 1 9 . 1 1 824 824 ASP CA C 824 54.786 54.786 56.282 -1.496 25870 6058 1 9 . 1 1 824 824 ASP CB C 824 41.085 41.085 40.851 0.234 25870 6059 1 9 . 1 1 824 824 ASP H H 824 8.431 8.431 8.919 -0.488 25870 6060 1 9 . 1 1 825 825 THR N N 825 114.932 114.932 112.810 2.122 25870 6061 1 9 . 1 1 825 825 THR HA H 825 4.161 4.161 4.192 -0.031 25870 6062 1 9 . 1 1 825 825 THR CA C 825 63.109 63.109 64.618 -1.509 25870 6063 1 9 . 1 1 825 825 THR CB C 825 69.455 69.455 68.592 0.863 25870 6064 1 9 . 1 1 825 825 THR H H 825 8.155 8.155 8.575 -0.420 25870 6065 1 9 . 1 1 826 826 ALA N N 826 124.961 124.961 124.667 0.294 25870 6066 1 9 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.072 0.088 25870 6067 1 9 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.158 0.234 25870 6068 1 9 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.074 0.536 25870 6069 1 9 . 1 1 826 826 ALA H H 826 8.379 8.379 8.200 0.179 25870 6070 1 9 . 1 1 827 827 ASP N N 827 117.765 117.765 117.693 0.072 25870 6071 1 9 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.368 0.057 25870 6072 1 9 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.098 -1.047 25870 6073 1 9 . 1 1 827 827 ASP CB C 827 40.559 40.559 41.039 -0.480 25870 6074 1 9 . 1 1 827 827 ASP H H 827 8.250 8.250 7.790 0.460 25870 6075 1 9 . 1 1 828 828 GLN N N 828 120.523 120.523 117.738 2.785 25870 6076 1 9 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.102 -0.011 25870 6077 1 9 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.196 -0.382 25870 6078 1 9 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.957 -0.408 25870 6079 1 9 . 1 1 828 828 GLN H H 828 8.076 8.076 7.704 0.372 25870 6080 1 9 . 1 1 829 829 VAL N N 829 120.970 120.970 121.332 -0.362 25870 6081 1 9 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.769 -0.244 25870 6082 1 9 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.472 0.722 25870 6083 1 9 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.935 -0.394 25870 6084 1 9 . 1 1 829 829 VAL H H 829 8.051 8.051 7.447 0.604 25870 6085 1 9 . 1 1 830 830 MET N N 830 119.572 119.572 117.818 1.754 25870 6086 1 9 . 1 1 830 830 MET HA H 830 4.006 4.006 3.433 0.573 25870 6087 1 9 . 1 1 830 830 MET CA C 830 57.977 57.977 57.877 0.100 25870 6088 1 9 . 1 1 830 830 MET CB C 830 31.995 31.995 31.741 0.254 25870 6089 1 9 . 1 1 830 830 MET H H 830 8.110 8.110 7.945 0.165 25870 6090 1 9 . 1 1 831 831 ALA N N 831 121.059 121.059 121.984 -0.925 25870 6091 1 9 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.999 0.046 25870 6092 1 9 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.675 -0.174 25870 6093 1 9 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.787 0.280 25870 6094 1 9 . 1 1 831 831 ALA H H 831 7.836 7.836 7.464 0.372 25870 6095 1 9 . 1 1 832 832 SER N N 832 114.256 114.256 115.656 -1.400 25870 6096 1 9 . 1 1 832 832 SER HA H 832 4.141 4.141 4.057 0.084 25870 6097 1 9 . 1 1 832 832 SER CA C 832 60.845 60.845 61.289 -0.444 25870 6098 1 9 . 1 1 832 832 SER CB C 832 62.613 62.613 62.661 -0.048 25870 6099 1 9 . 1 1 832 832 SER H H 832 7.714 7.714 7.677 0.037 25870 6100 1 9 . 1 1 833 833 PHE N N 833 121.847 121.847 121.158 0.689 25870 6101 1 9 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.226 -0.403 25870 6102 1 9 . 1 1 833 833 PHE CA C 833 58.627 58.627 59.036 -0.409 25870 6103 1 9 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.328 0.799 25870 6104 1 9 . 1 1 833 833 PHE H H 833 7.740 7.740 7.367 0.373 25870 6105 1 9 . 1 1 834 834 LYS N N 834 118.759 118.759 119.967 -1.208 25870 6106 1 9 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.602 -0.013 25870 6107 1 9 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.374 1.010 25870 6108 1 9 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.850 0.293 25870 6109 1 9 . 1 1 834 834 LYS H H 834 7.843 7.843 7.758 0.085 25870 6110 1 9 . 1 1 835 835 ILE N N 835 118.537 118.537 120.089 -1.552 25870 6111 1 9 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.745 -0.009 25870 6112 1 9 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.527 -0.813 25870 6113 1 9 . 1 1 835 835 ILE CB C 835 37.825 37.825 38.070 -0.245 25870 6114 1 9 . 1 1 835 835 ILE H H 835 7.315 7.315 7.403 -0.088 25870 6115 1 9 . 1 1 836 836 LEU N N 836 121.201 121.201 120.263 0.938 25870 6116 1 9 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.857 0.098 25870 6117 1 9 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.222 -0.148 25870 6118 1 9 . 1 1 836 836 LEU CB C 836 42.415 42.415 42.045 0.369 25870 6119 1 9 . 1 1 836 836 LEU H H 836 7.625 7.625 8.067 -0.442 25870 6120 1 9 . 1 1 837 837 ALA N N 837 119.184 119.184 117.428 1.756 25870 6121 1 9 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.944 -0.049 25870 6122 1 9 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.641 -0.340 25870 6123 1 9 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.298 0.040 25870 6124 1 9 . 1 1 837 837 ALA H H 837 8.099 8.099 7.669 0.430 25870 6125 1 9 . 1 1 838 838 GLY N N 838 107.030 107.030 107.361 -0.331 25870 6126 1 9 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.344 0.574 25870 6127 1 9 . 1 1 838 838 GLY H H 838 7.676 7.676 7.976 -0.300 25870 6128 1 9 . 1 1 839 839 ASP N N 839 122.291 122.291 124.958 -2.667 25870 6129 1 9 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.859 -0.382 25870 6130 1 9 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.075 1.436 25870 6131 1 9 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.931 -1.750 25870 6132 1 9 . 1 1 839 839 ASP H H 839 8.704 8.704 8.358 0.346 25870 6133 1 9 . 1 1 840 840 LYS N N 840 117.582 117.582 120.232 -2.650 25870 6134 1 9 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.366 -0.065 25870 6135 1 9 . 1 1 840 840 LYS CA C 840 55.780 55.780 56.110 -0.330 25870 6136 1 9 . 1 1 840 840 LYS CB C 840 33.710 33.710 32.861 0.849 25870 6137 1 9 . 1 1 840 840 LYS H H 840 7.583 7.583 7.425 0.158 25870 6138 1 9 . 1 1 841 841 ASN N N 841 116.678 116.678 116.549 0.129 25870 6139 1 9 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.547 0.064 25870 6140 1 9 . 1 1 841 841 ASN CA C 841 53.466 53.466 54.349 -0.883 25870 6141 1 9 . 1 1 841 841 ASN CB C 841 39.155 39.155 38.996 0.159 25870 6142 1 9 . 1 1 841 841 ASN H H 841 8.693 8.693 9.000 -0.307 25870 6143 1 9 . 1 1 842 842 TYR N N 842 112.236 112.236 113.605 -1.369 25870 6144 1 9 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.829 0.157 25870 6145 1 9 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.346 -1.428 25870 6146 1 9 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.255 0.340 25870 6147 1 9 . 1 1 842 842 TYR H H 842 6.637 6.637 7.294 -0.657 25870 6148 1 9 . 1 1 843 843 ILE N N 843 115.475 115.475 121.446 -5.971 25870 6149 1 9 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.614 0.178 25870 6150 1 9 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.418 0.539 25870 6151 1 9 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.952 0.057 25870 6152 1 9 . 1 1 843 843 ILE H H 843 8.630 8.630 9.270 -0.640 25870 6153 1 9 . 1 1 844 844 THR N N 844 117.169 117.169 118.625 -1.456 25870 6154 1 9 . 1 1 844 844 THR HA H 844 5.370 5.370 5.228 0.142 25870 6155 1 9 . 1 1 844 844 THR CA C 844 60.177 60.177 60.337 -0.160 25870 6156 1 9 . 1 1 844 844 THR CB C 844 71.088 71.088 70.470 0.618 25870 6157 1 9 . 1 1 844 844 THR H H 844 9.330 9.330 9.285 0.045 25870 6158 1 9 . 1 1 845 845 MET N N 845 119.860 119.860 120.290 -0.430 25870 6159 1 9 . 1 1 845 845 MET HA H 845 3.824 3.824 3.973 -0.149 25870 6160 1 9 . 1 1 845 845 MET CA C 845 60.321 60.321 60.669 -0.348 25870 6161 1 9 . 1 1 845 845 MET CB C 845 33.030 33.030 32.194 0.836 25870 6162 1 9 . 1 1 845 845 MET H H 845 8.556 8.556 8.762 -0.206 25870 6163 1 9 . 1 1 846 846 ASP N N 846 116.363 116.363 117.469 -1.106 25870 6164 1 9 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.440 -0.160 25870 6165 1 9 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.523 0.881 25870 6166 1 9 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.258 0.326 25870 6167 1 9 . 1 1 846 846 ASP H H 846 8.377 8.377 8.657 -0.280 25870 6168 1 9 . 1 1 847 847 GLU N N 847 120.577 120.577 118.800 1.777 25870 6169 1 9 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.160 -0.306 25870 6170 1 9 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.626 1.031 25870 6171 1 9 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.158 -0.498 25870 6172 1 9 . 1 1 847 847 GLU H H 847 7.855 7.855 7.561 0.294 25870 6173 1 9 . 1 1 848 848 LEU N N 848 118.714 118.714 119.695 -0.981 25870 6174 1 9 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.056 -0.234 25870 6175 1 9 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.679 1.046 25870 6176 1 9 . 1 1 848 848 LEU CB C 848 42.457 42.457 41.900 0.557 25870 6177 1 9 . 1 1 848 848 LEU H H 848 7.849 7.849 7.570 0.279 25870 6178 1 9 . 1 1 849 849 ARG N N 849 113.972 113.972 115.556 -1.584 25870 6179 1 9 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.379 -0.455 25870 6180 1 9 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.755 0.840 25870 6181 1 9 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.608 0.492 25870 6182 1 9 . 1 1 849 849 ARG H H 849 8.053 8.053 8.028 0.025 25870 6183 1 9 . 1 1 850 850 ARG N N 850 118.178 118.178 119.111 -0.933 25870 6184 1 9 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.339 -0.146 25870 6185 1 9 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.973 0.272 25870 6186 1 9 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.138 -0.018 25870 6187 1 9 . 1 1 850 850 ARG H H 850 7.743 7.743 7.607 0.136 25870 6188 1 9 . 1 1 851 851 GLU N N 851 115.518 115.518 118.360 -2.842 25870 6189 1 9 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.265 0.085 25870 6190 1 9 . 1 1 851 851 GLU CA C 851 56.886 56.886 58.213 -1.327 25870 6191 1 9 . 1 1 851 851 GLU CB C 851 31.590 31.590 30.526 1.064 25870 6192 1 9 . 1 1 851 851 GLU H H 851 7.596 7.596 7.834 -0.238 25870 6193 1 9 . 1 1 852 852 LEU N N 852 119.148 119.148 121.721 -2.573 25870 6194 1 9 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.240 -0.346 25870 6195 1 9 . 1 1 852 852 LEU CA C 852 52.174 52.174 50.892 1.282 25870 6196 1 9 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.175 1.294 25870 6197 1 9 . 1 1 852 852 LEU H H 852 7.890 7.890 7.962 -0.072 25870 6198 1 9 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.439 -0.092 25870 6199 1 9 . 1 1 853 853 PRO CA C 853 65.119 65.119 64.155 0.964 25870 6200 1 9 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.909 0.722 25870 6201 1 9 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.499 -0.229 25870 6202 1 9 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.795 4.541 25870 6203 1 9 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.195 -0.939 25870 6204 1 9 . 1 1 855 855 ASP N N 855 114.865 114.865 118.733 -3.868 25870 6205 1 9 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.502 -0.153 25870 6206 1 9 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.799 -0.886 25870 6207 1 9 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.391 -1.147 25870 6208 1 9 . 1 1 855 855 ASP H H 855 8.801 8.801 8.269 0.532 25870 6209 1 9 . 1 1 856 856 GLN N N 856 121.465 121.465 118.829 2.636 25870 6210 1 9 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.286 -0.087 25870 6211 1 9 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.652 -1.335 25870 6212 1 9 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.178 1.069 25870 6213 1 9 . 1 1 856 856 GLN H H 856 7.472 7.472 8.529 -1.057 25870 6214 1 9 . 1 1 857 857 ALA N N 857 122.805 122.805 122.582 0.223 25870 6215 1 9 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.902 -0.103 25870 6216 1 9 . 1 1 857 857 ALA CA C 857 56.303 56.303 56.206 0.097 25870 6217 1 9 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.291 -0.346 25870 6218 1 9 . 1 1 857 857 ALA H H 857 8.882 8.882 8.235 0.647 25870 6219 1 9 . 1 1 858 858 GLU N N 858 114.094 114.094 118.819 -4.725 25870 6220 1 9 . 1 1 858 858 GLU HA H 858 4.024 4.024 3.985 0.039 25870 6221 1 9 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.753 -0.071 25870 6222 1 9 . 1 1 858 858 GLU CB C 858 28.639 28.639 28.948 -0.309 25870 6223 1 9 . 1 1 858 858 GLU H H 858 8.155 8.155 7.913 0.242 25870 6224 1 9 . 1 1 859 859 TYR N N 859 120.665 120.665 122.223 -1.558 25870 6225 1 9 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.123 -0.039 25870 6226 1 9 . 1 1 859 859 TYR CA C 859 61.006 61.006 60.784 0.222 25870 6227 1 9 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.142 0.544 25870 6228 1 9 . 1 1 859 859 TYR H H 859 7.708 7.708 8.410 -0.702 25870 6229 1 9 . 1 1 860 860 CYS N N 860 115.812 115.812 116.842 -1.030 25870 6230 1 9 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.246 0.912 25870 6231 1 9 . 1 1 860 860 CYS CA C 860 64.254 64.254 64.001 0.253 25870 6232 1 9 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.808 0.496 25870 6233 1 9 . 1 1 860 860 CYS H H 860 8.113 8.113 7.701 0.412 25870 6234 1 9 . 1 1 861 861 ILE N N 861 120.078 120.078 119.830 0.248 25870 6235 1 9 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.561 -0.222 25870 6236 1 9 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.285 0.358 25870 6237 1 9 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.576 1.138 25870 6238 1 9 . 1 1 861 861 ILE H H 861 8.453 8.453 7.963 0.490 25870 6239 1 9 . 1 1 862 862 ALA N N 862 116.691 116.691 121.249 -4.558 25870 6240 1 9 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.017 0.192 25870 6241 1 9 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.555 -1.333 25870 6242 1 9 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.583 0.419 25870 6243 1 9 . 1 1 862 862 ALA H H 862 7.307 7.307 8.296 -0.989 25870 6244 1 9 . 1 1 863 863 ARG N N 863 117.226 117.226 114.561 2.665 25870 6245 1 9 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.629 -0.355 25870 6246 1 9 . 1 1 863 863 ARG CA C 863 56.051 56.051 55.423 0.628 25870 6247 1 9 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.964 0.425 25870 6248 1 9 . 1 1 863 863 ARG H H 863 7.358 7.358 7.525 -0.167 25870 6249 1 9 . 1 1 864 864 MET N N 864 117.583 117.583 118.923 -1.340 25870 6250 1 9 . 1 1 864 864 MET HA H 864 4.561 4.561 4.390 0.171 25870 6251 1 9 . 1 1 864 864 MET CA C 864 54.927 54.927 55.905 -0.978 25870 6252 1 9 . 1 1 864 864 MET CB C 864 37.418 37.418 34.105 3.313 25870 6253 1 9 . 1 1 864 864 MET H H 864 7.153 7.153 7.257 -0.104 25870 6254 1 9 . 1 1 865 865 ALA N N 865 124.643 124.643 126.311 -1.668 25870 6255 1 9 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.635 -0.769 25870 6256 1 9 . 1 1 865 865 ALA CA C 865 49.194 49.194 50.071 -0.877 25870 6257 1 9 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.498 0.149 25870 6258 1 9 . 1 1 865 865 ALA H H 865 8.557 8.557 8.278 0.279 25870 6259 1 9 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.516 -0.020 25870 6260 1 9 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.880 -0.156 25870 6261 1 9 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.377 1.603 25870 6262 1 9 . 1 1 867 867 TYR N N 867 122.461 122.461 127.332 -4.871 25870 6263 1 9 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.559 0.169 25870 6264 1 9 . 1 1 867 867 TYR CA C 867 57.096 57.096 57.039 0.057 25870 6265 1 9 . 1 1 867 867 TYR CB C 867 39.175 39.175 38.199 0.976 25870 6266 1 9 . 1 1 867 867 TYR H H 867 8.128 8.128 8.090 0.038 25870 6267 1 9 . 1 1 868 868 THR HA H 868 4.351 4.351 4.538 -0.187 25870 6268 1 9 . 1 1 868 868 THR CA C 868 60.271 60.271 59.552 0.719 25870 6269 1 9 . 1 1 868 868 THR CB C 868 68.737 68.737 71.401 -2.664 25870 6270 1 9 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.178 -0.264 25870 6271 1 9 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.416 -0.087 25870 6272 1 9 . 1 1 870 870 PRO CA C 870 64.697 64.697 64.108 0.589 25870 6273 1 9 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.051 -0.472 25870 6274 1 9 . 1 1 871 871 ASP N N 871 116.207 116.207 117.670 -1.463 25870 6275 1 9 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.765 -0.161 25870 6276 1 9 . 1 1 871 871 ASP CA C 871 52.749 52.749 53.930 -1.181 25870 6277 1 9 . 1 1 871 871 ASP CB C 871 38.929 38.929 41.219 -2.291 25870 6278 1 9 . 1 1 871 871 ASP H H 871 9.267 9.267 8.715 0.552 25870 6279 1 9 . 1 1 872 872 SER N N 872 112.349 112.349 114.952 -2.603 25870 6280 1 9 . 1 1 872 872 SER HA H 872 3.497 3.497 4.598 -1.101 25870 6281 1 9 . 1 1 872 872 SER CA C 872 59.065 59.065 56.920 2.145 25870 6282 1 9 . 1 1 872 872 SER CB C 872 63.125 63.125 65.943 -2.818 25870 6283 1 9 . 1 1 872 872 SER H H 872 7.487 7.487 7.327 0.160 25870 6284 1 9 . 1 1 873 873 VAL N N 873 113.567 113.567 114.508 -0.941 25870 6285 1 9 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.659 0.070 25870 6286 1 9 . 1 1 873 873 VAL CA C 873 58.044 58.044 57.712 0.332 25870 6287 1 9 . 1 1 873 873 VAL CB C 873 32.911 32.911 32.731 0.180 25870 6288 1 9 . 1 1 873 873 VAL H H 873 6.411 6.411 8.129 -1.718 25870 6289 1 9 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.420 -0.124 25870 6290 1 9 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.758 0.577 25870 6291 1 9 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.925 -0.410 25870 6292 1 9 . 1 1 875 875 GLY N N 875 112.118 112.118 105.961 6.157 25870 6293 1 9 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.514 1.043 25870 6294 1 9 . 1 1 875 875 GLY H H 875 8.800 8.800 7.971 0.829 25870 6295 1 9 . 1 1 876 876 ALA N N 876 120.262 120.262 123.671 -3.409 25870 6296 1 9 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.565 -1.465 25870 6297 1 9 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.390 2.683 25870 6298 1 9 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.587 -1.079 25870 6299 1 9 . 1 1 876 876 ALA H H 876 7.762 7.762 7.487 0.275 25870 6300 1 9 . 1 1 877 877 LEU N N 877 125.695 125.695 121.316 4.379 25870 6301 1 9 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.206 -0.430 25870 6302 1 9 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.710 0.559 25870 6303 1 9 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.090 -2.291 25870 6304 1 9 . 1 1 877 877 LEU H H 877 9.595 9.595 9.374 0.221 25870 6305 1 9 . 1 1 878 878 ASP N N 878 119.823 119.823 121.562 -1.739 25870 6306 1 9 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.551 0.328 25870 6307 1 9 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.357 -0.360 25870 6308 1 9 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.326 -0.545 25870 6309 1 9 . 1 1 878 878 ASP H H 878 9.031 9.031 8.110 0.921 25870 6310 1 9 . 1 1 879 879 TYR N N 879 126.556 126.556 124.637 1.919 25870 6311 1 9 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.279 0.312 25870 6312 1 9 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.961 -0.565 25870 6313 1 9 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.797 -0.477 25870 6314 1 9 . 1 1 879 879 TYR H H 879 7.456 7.456 8.036 -0.580 25870 6315 1 9 . 1 1 880 880 MET N N 880 119.958 119.958 114.805 5.153 25870 6316 1 9 . 1 1 880 880 MET HA H 880 4.605 4.605 4.848 -0.243 25870 6317 1 9 . 1 1 880 880 MET CA C 880 56.044 56.044 57.188 -1.144 25870 6318 1 9 . 1 1 880 880 MET CB C 880 30.101 30.101 33.381 -3.280 25870 6319 1 9 . 1 1 880 880 MET H H 880 7.627 7.627 7.586 0.041 25870 6320 1 9 . 1 1 881 881 SER N N 881 114.328 114.328 115.952 -1.624 25870 6321 1 9 . 1 1 881 881 SER HA H 881 4.471 4.471 4.625 -0.154 25870 6322 1 9 . 1 1 881 881 SER CA C 881 58.917 58.917 57.274 1.643 25870 6323 1 9 . 1 1 881 881 SER CB C 881 64.447 64.447 63.692 0.755 25870 6324 1 9 . 1 1 881 881 SER H H 881 7.726 7.726 8.123 -0.397 25870 6325 1 9 . 1 1 882 882 PHE N N 882 122.735 122.735 119.563 3.172 25870 6326 1 9 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.464 0.258 25870 6327 1 9 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.621 1.610 25870 6328 1 9 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.300 0.985 25870 6329 1 9 . 1 1 882 882 PHE H H 882 7.385 7.385 7.390 -0.005 25870 6330 1 9 . 1 1 883 883 SER N N 883 120.156 120.156 116.993 3.163 25870 6331 1 9 . 1 1 883 883 SER HA H 883 4.299 4.299 4.417 -0.118 25870 6332 1 9 . 1 1 883 883 SER CA C 883 57.280 57.280 57.833 -0.553 25870 6333 1 9 . 1 1 883 883 SER CB C 883 64.601 64.601 64.249 0.352 25870 6334 1 9 . 1 1 883 883 SER H H 883 7.472 7.472 8.449 -0.977 25870 6335 1 9 . 1 1 884 884 THR N N 884 110.683 110.683 117.643 -6.960 25870 6336 1 9 . 1 1 884 884 THR HA H 884 3.966 3.966 4.308 -0.342 25870 6337 1 9 . 1 1 884 884 THR CA C 884 63.465 63.465 62.750 0.715 25870 6338 1 9 . 1 1 884 884 THR CB C 884 68.899 68.899 68.843 0.057 25870 6339 1 9 . 1 1 884 884 THR H H 884 7.996 7.996 8.218 -0.222 25870 6340 1 9 . 1 1 885 885 ALA N N 885 125.456 125.456 125.583 -0.127 25870 6341 1 9 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.538 -0.302 25870 6342 1 9 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.091 0.939 25870 6343 1 9 . 1 1 885 885 ALA CB C 885 19.225 19.225 19.948 -0.723 25870 6344 1 9 . 1 1 885 885 ALA H H 885 7.905 7.905 7.416 0.489 25870 6345 1 9 . 1 1 886 886 LEU N N 886 120.638 120.638 125.344 -4.706 25870 6346 1 9 . 1 1 886 886 LEU HA H 886 4.002 4.002 4.224 -0.222 25870 6347 1 9 . 1 1 886 886 LEU CA C 886 55.462 55.462 55.004 0.458 25870 6348 1 9 . 1 1 886 886 LEU CB C 886 42.265 42.265 42.717 -0.452 25870 6349 1 9 . 1 1 886 886 LEU H H 886 8.079 8.079 8.567 -0.488 25870 6350 1 9 . 1 1 887 887 TYR N N 887 121.526 121.526 119.390 2.136 25870 6351 1 9 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.185 0.171 25870 6352 1 9 . 1 1 887 887 TYR CA C 887 58.750 58.750 59.307 -0.557 25870 6353 1 9 . 1 1 887 887 TYR CB C 887 38.569 38.569 37.569 1.000 25870 6354 1 9 . 1 1 887 887 TYR H H 887 8.267 8.267 8.704 -0.437 25870 6355 1 9 . 1 1 888 888 GLY N N 888 112.379 112.379 109.199 3.180 25870 6356 1 9 . 1 1 888 888 GLY CA C 888 45.090 45.090 45.474 -0.384 25870 6357 1 9 . 1 1 888 888 GLY H H 888 8.087 8.087 7.478 0.609 25870 6358 1 9 . 1 1 889 889 GLU N N 889 120.255 120.255 123.858 -3.603 25870 6359 1 9 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.640 -0.384 25870 6360 1 9 . 1 1 889 889 GLU CA C 889 56.445 56.445 55.594 0.850 25870 6361 1 9 . 1 1 889 889 GLU CB C 889 30.393 30.393 29.459 0.934 25870 6362 1 9 . 1 1 889 889 GLU H H 889 7.994 7.994 8.678 -0.684 25870 6363 1 9 . 1 1 890 890 SER N N 890 116.375 116.375 115.981 0.394 25870 6364 1 9 . 1 1 890 890 SER HA H 890 4.415 4.415 4.576 -0.161 25870 6365 1 9 . 1 1 890 890 SER CA C 890 58.204 58.204 58.193 0.011 25870 6366 1 9 . 1 1 890 890 SER CB C 890 63.913 63.913 64.491 -0.578 25870 6367 1 9 . 1 1 890 890 SER H H 890 8.329 8.329 7.797 0.532 25870 6368 1 9 . 1 1 891 891 ASP N N 891 123.017 123.017 121.079 1.938 25870 6369 1 9 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.731 -0.121 25870 6370 1 9 . 1 1 891 891 ASP CA C 891 54.371 54.371 54.926 -0.555 25870 6371 1 9 . 1 1 891 891 ASP CB C 891 41.013 41.013 40.853 0.160 25870 6372 1 9 . 1 1 891 891 ASP H H 891 8.394 8.394 8.889 -0.495 25870 6373 1 10 . 1 1 742 742 SER HA H 742 4.525 4.525 4.754 -0.229 25870 6374 1 10 . 1 1 742 742 SER CA C 742 58.148 58.148 56.666 1.482 25870 6375 1 10 . 1 1 742 742 SER CB C 742 63.791 63.791 65.453 -1.662 25870 6376 1 10 . 1 1 743 743 ILE N N 743 122.172 122.172 125.811 -3.639 25870 6377 1 10 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.135 0.227 25870 6378 1 10 . 1 1 743 743 ILE CA C 743 60.421 60.421 61.935 -1.514 25870 6379 1 10 . 1 1 743 743 ILE CB C 743 39.166 39.166 39.109 0.057 25870 6380 1 10 . 1 1 743 743 ILE H H 743 8.132 8.132 8.069 0.063 25870 6381 1 10 . 1 1 744 744 SER N N 744 123.144 123.144 119.888 3.256 25870 6382 1 10 . 1 1 744 744 SER HA H 744 4.449 4.449 4.631 -0.182 25870 6383 1 10 . 1 1 744 744 SER CA C 744 57.463 57.463 56.352 1.111 25870 6384 1 10 . 1 1 744 744 SER CB C 744 65.219 65.219 64.754 0.465 25870 6385 1 10 . 1 1 744 744 SER H H 744 8.848 8.848 8.521 0.327 25870 6386 1 10 . 1 1 745 745 GLN N N 745 121.619 121.619 124.335 -2.716 25870 6387 1 10 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.093 -0.141 25870 6388 1 10 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.234 -0.466 25870 6389 1 10 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.739 -0.227 25870 6390 1 10 . 1 1 745 745 GLN H H 745 9.042 9.042 8.998 0.044 25870 6391 1 10 . 1 1 746 746 GLU N N 746 118.648 118.648 119.639 -0.991 25870 6392 1 10 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.098 -0.094 25870 6393 1 10 . 1 1 746 746 GLU CA C 746 60.223 60.223 59.021 1.202 25870 6394 1 10 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.409 -0.555 25870 6395 1 10 . 1 1 746 746 GLU H H 746 8.721 8.721 7.771 0.950 25870 6396 1 10 . 1 1 747 747 GLN N N 747 120.463 120.463 119.759 0.704 25870 6397 1 10 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.144 -0.378 25870 6398 1 10 . 1 1 747 747 GLN CA C 747 58.306 58.306 59.046 -0.740 25870 6399 1 10 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.214 0.734 25870 6400 1 10 . 1 1 747 747 GLN H H 747 7.838 7.838 8.468 -0.630 25870 6401 1 10 . 1 1 748 748 MET N N 748 119.252 119.252 115.273 3.979 25870 6402 1 10 . 1 1 748 748 MET HA H 748 4.200 4.200 4.510 -0.310 25870 6403 1 10 . 1 1 748 748 MET CA C 748 58.096 58.096 59.035 -0.939 25870 6404 1 10 . 1 1 748 748 MET CB C 748 30.900 30.900 32.331 -1.431 25870 6405 1 10 . 1 1 748 748 MET H H 748 8.473 8.473 8.219 0.254 25870 6406 1 10 . 1 1 749 749 ASN N N 749 117.740 117.740 118.849 -1.109 25870 6407 1 10 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.504 -0.030 25870 6408 1 10 . 1 1 749 749 ASN CA C 749 55.795 55.795 56.031 -0.236 25870 6409 1 10 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.939 -1.526 25870 6410 1 10 . 1 1 749 749 ASN H H 749 8.334 8.334 7.865 0.469 25870 6411 1 10 . 1 1 750 750 GLU N N 750 122.848 122.848 120.288 2.560 25870 6412 1 10 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.169 0.035 25870 6413 1 10 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.657 0.684 25870 6414 1 10 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.250 -0.066 25870 6415 1 10 . 1 1 750 750 GLU H H 750 7.838 7.838 8.410 -0.572 25870 6416 1 10 . 1 1 751 751 PHE N N 751 120.177 120.177 122.524 -2.347 25870 6417 1 10 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.413 0.608 25870 6418 1 10 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.596 -1.243 25870 6419 1 10 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.568 -1.771 25870 6420 1 10 . 1 1 751 751 PHE H H 751 8.785 8.785 8.582 0.203 25870 6421 1 10 . 1 1 752 752 ARG N N 752 120.528 120.528 120.265 0.263 25870 6422 1 10 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.989 0.171 25870 6423 1 10 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.282 1.422 25870 6424 1 10 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.528 1.440 25870 6425 1 10 . 1 1 752 752 ARG H H 752 9.016 9.016 7.994 1.022 25870 6426 1 10 . 1 1 753 753 ALA N N 753 121.112 121.112 122.437 -1.325 25870 6427 1 10 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.451 -0.206 25870 6428 1 10 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.499 0.832 25870 6429 1 10 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.838 -0.015 25870 6430 1 10 . 1 1 753 753 ALA H H 753 8.100 8.100 8.089 0.011 25870 6431 1 10 . 1 1 754 754 SER N N 754 115.589 115.589 115.042 0.547 25870 6432 1 10 . 1 1 754 754 SER HA H 754 4.452 4.452 4.206 0.246 25870 6433 1 10 . 1 1 754 754 SER CA C 754 62.675 62.675 59.897 2.778 25870 6434 1 10 . 1 1 754 754 SER CB C 754 63.359 63.359 62.649 0.710 25870 6435 1 10 . 1 1 754 754 SER H H 754 8.391 8.391 7.822 0.569 25870 6436 1 10 . 1 1 755 755 PHE N N 755 121.886 121.886 118.540 3.346 25870 6437 1 10 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.893 -0.251 25870 6438 1 10 . 1 1 755 755 PHE CA C 755 61.964 61.964 58.806 3.158 25870 6439 1 10 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.520 1.302 25870 6440 1 10 . 1 1 755 755 PHE H H 755 8.675 8.675 7.610 1.065 25870 6441 1 10 . 1 1 756 756 ASN N N 756 113.618 113.618 113.100 0.518 25870 6442 1 10 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.110 0.317 25870 6443 1 10 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.296 3.315 25870 6444 1 10 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.905 -1.067 25870 6445 1 10 . 1 1 756 756 ASN H H 756 8.593 8.593 7.608 0.985 25870 6446 1 10 . 1 1 757 757 HIS N N 757 119.679 119.679 120.999 -1.320 25870 6447 1 10 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.263 -0.184 25870 6448 1 10 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.477 0.867 25870 6449 1 10 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.113 -0.224 25870 6450 1 10 . 1 1 757 757 HIS H H 757 8.139 8.139 7.529 0.610 25870 6451 1 10 . 1 1 758 758 PHE N N 758 113.051 113.051 116.759 -3.708 25870 6452 1 10 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.408 -0.347 25870 6453 1 10 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.102 2.595 25870 6454 1 10 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.331 -1.596 25870 6455 1 10 . 1 1 758 758 PHE H H 758 7.585 7.585 7.471 0.114 25870 6456 1 10 . 1 1 759 759 ASP N N 759 120.916 120.916 121.652 -0.736 25870 6457 1 10 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.479 0.030 25870 6458 1 10 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.941 -2.770 25870 6459 1 10 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.823 -2.814 25870 6460 1 10 . 1 1 759 759 ASP H H 759 7.423 7.423 8.052 -0.629 25870 6461 1 10 . 1 1 760 760 ARG N N 760 124.819 124.819 125.792 -0.973 25870 6462 1 10 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.080 -0.312 25870 6463 1 10 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.810 -0.535 25870 6464 1 10 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.593 -0.344 25870 6465 1 10 . 1 1 760 760 ARG H H 760 7.781 7.781 8.356 -0.575 25870 6466 1 10 . 1 1 761 761 ASP N N 761 113.673 113.673 113.835 -0.162 25870 6467 1 10 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.709 -0.226 25870 6468 1 10 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.586 -1.609 25870 6469 1 10 . 1 1 761 761 ASP CB C 761 39.522 39.522 40.839 -1.317 25870 6470 1 10 . 1 1 761 761 ASP H H 761 7.821 7.821 8.092 -0.271 25870 6471 1 10 . 1 1 762 762 HIS N N 762 114.966 114.966 116.576 -1.610 25870 6472 1 10 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.233 -0.072 25870 6473 1 10 . 1 1 762 762 HIS CA C 762 56.618 56.618 57.005 -0.388 25870 6474 1 10 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.921 -2.541 25870 6475 1 10 . 1 1 762 762 HIS H H 762 7.744 7.744 7.902 -0.158 25870 6476 1 10 . 1 1 763 763 SER N N 763 115.077 115.077 113.884 1.193 25870 6477 1 10 . 1 1 763 763 SER HA H 763 4.336 4.336 4.356 -0.020 25870 6478 1 10 . 1 1 763 763 SER CA C 763 59.860 59.860 59.882 -0.022 25870 6479 1 10 . 1 1 763 763 SER CB C 763 65.192 65.192 64.030 1.162 25870 6480 1 10 . 1 1 763 763 SER H H 763 8.726 8.726 8.721 0.005 25870 6481 1 10 . 1 1 764 764 GLY N N 764 116.915 116.915 110.500 6.415 25870 6482 1 10 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.428 0.021 25870 6483 1 10 . 1 1 764 764 GLY H H 764 11.017 11.017 8.822 2.195 25870 6484 1 10 . 1 1 765 765 THR N N 765 107.334 107.334 110.089 -2.755 25870 6485 1 10 . 1 1 765 765 THR HA H 765 4.829 4.829 5.236 -0.407 25870 6486 1 10 . 1 1 765 765 THR CA C 765 58.759 58.759 60.128 -1.369 25870 6487 1 10 . 1 1 765 765 THR CB C 765 73.383 73.383 72.160 1.223 25870 6488 1 10 . 1 1 765 765 THR H H 765 7.693 7.693 7.942 -0.249 25870 6489 1 10 . 1 1 766 766 LEU N N 766 124.664 124.664 124.112 0.552 25870 6490 1 10 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.682 0.218 25870 6491 1 10 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.741 -1.402 25870 6492 1 10 . 1 1 766 766 LEU CB C 766 42.339 42.339 42.886 -0.548 25870 6493 1 10 . 1 1 766 766 LEU H H 766 9.209 9.209 8.830 0.379 25870 6494 1 10 . 1 1 767 767 GLY N N 767 112.024 112.024 112.270 -0.246 25870 6495 1 10 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.901 0.222 25870 6496 1 10 . 1 1 767 767 GLY H H 767 8.910 8.910 8.938 -0.028 25870 6497 1 10 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.539 -0.221 25870 6498 1 10 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.162 0.965 25870 6499 1 10 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.030 -0.001 25870 6500 1 10 . 1 1 769 769 GLU N N 769 115.246 115.246 118.464 -3.218 25870 6501 1 10 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.144 -0.173 25870 6502 1 10 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.802 0.819 25870 6503 1 10 . 1 1 769 769 GLU CB C 769 28.628 28.628 29.043 -0.415 25870 6504 1 10 . 1 1 769 769 GLU H H 769 8.622 8.622 9.071 -0.449 25870 6505 1 10 . 1 1 770 770 GLU N N 770 121.127 121.127 118.701 2.426 25870 6506 1 10 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.225 0.047 25870 6507 1 10 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.947 -0.450 25870 6508 1 10 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.985 1.387 25870 6509 1 10 . 1 1 770 770 GLU H H 770 7.493 7.493 7.858 -0.365 25870 6510 1 10 . 1 1 771 771 PHE N N 771 117.688 117.688 121.925 -4.237 25870 6511 1 10 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.283 0.072 25870 6512 1 10 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.615 -1.990 25870 6513 1 10 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.446 -0.636 25870 6514 1 10 . 1 1 771 771 PHE H H 771 9.110 9.110 8.913 0.197 25870 6515 1 10 . 1 1 772 772 LYS N N 772 119.789 119.789 118.528 1.261 25870 6516 1 10 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.680 -0.367 25870 6517 1 10 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.519 2.153 25870 6518 1 10 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.944 1.035 25870 6519 1 10 . 1 1 772 772 LYS H H 772 8.594 8.594 8.174 0.420 25870 6520 1 10 . 1 1 773 773 ALA N N 773 118.461 118.461 120.600 -2.139 25870 6521 1 10 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.002 -0.121 25870 6522 1 10 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.798 1.215 25870 6523 1 10 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.893 -1.264 25870 6524 1 10 . 1 1 773 773 ALA H H 773 7.231 7.231 7.542 -0.311 25870 6525 1 10 . 1 1 774 774 CYS N N 774 120.913 120.913 119.333 1.580 25870 6526 1 10 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.828 -0.393 25870 6527 1 10 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.451 -0.277 25870 6528 1 10 . 1 1 774 774 CYS CB C 774 26.215 26.215 26.331 -0.116 25870 6529 1 10 . 1 1 774 774 CYS H H 774 7.498 7.498 7.514 -0.016 25870 6530 1 10 . 1 1 775 775 LEU N N 775 119.201 119.201 118.502 0.699 25870 6531 1 10 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.541 0.225 25870 6532 1 10 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.380 1.552 25870 6533 1 10 . 1 1 775 775 LEU CB C 775 40.950 40.950 40.989 -0.038 25870 6534 1 10 . 1 1 775 775 LEU H H 775 8.372 8.372 7.474 0.898 25870 6535 1 10 . 1 1 776 776 ILE N N 776 121.051 121.051 118.224 2.827 25870 6536 1 10 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.457 1.633 25870 6537 1 10 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.245 0.999 25870 6538 1 10 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.154 0.837 25870 6539 1 10 . 1 1 776 776 ILE H H 776 8.358 8.358 6.686 1.672 25870 6540 1 10 . 1 1 777 777 SER N N 777 119.109 119.109 113.375 5.734 25870 6541 1 10 . 1 1 777 777 SER HA H 777 4.291 4.291 4.209 0.082 25870 6542 1 10 . 1 1 777 777 SER CA C 777 61.725 61.725 60.168 1.557 25870 6543 1 10 . 1 1 777 777 SER CB C 777 62.995 62.995 63.147 -0.152 25870 6544 1 10 . 1 1 777 777 SER H H 777 7.822 7.822 7.418 0.404 25870 6545 1 10 . 1 1 778 778 LEU N N 778 121.208 121.208 117.468 3.740 25870 6546 1 10 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.364 0.142 25870 6547 1 10 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.490 1.508 25870 6548 1 10 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.017 0.653 25870 6549 1 10 . 1 1 778 778 LEU H H 778 7.671 7.671 6.963 0.708 25870 6550 1 10 . 1 1 779 779 GLY N N 779 106.232 106.232 106.446 -0.214 25870 6551 1 10 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.039 0.248 25870 6552 1 10 . 1 1 779 779 GLY H H 779 7.897 7.897 7.228 0.669 25870 6553 1 10 . 1 1 780 780 TYR N N 780 120.772 120.772 119.435 1.337 25870 6554 1 10 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.471 -0.329 25870 6555 1 10 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.043 4.188 25870 6556 1 10 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.435 -0.094 25870 6557 1 10 . 1 1 780 780 TYR H H 780 8.072 8.072 7.443 0.629 25870 6558 1 10 . 1 1 781 781 ASP N N 781 124.304 124.304 117.556 6.748 25870 6559 1 10 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.721 -0.056 25870 6560 1 10 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.415 -0.267 25870 6561 1 10 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.432 -0.628 25870 6562 1 10 . 1 1 781 781 ASP H H 781 8.862 8.862 9.104 -0.242 25870 6563 1 10 . 1 1 782 782 ILE N N 782 122.271 122.271 113.029 9.242 25870 6564 1 10 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.418 -0.077 25870 6565 1 10 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.046 -0.054 25870 6566 1 10 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.526 -2.619 25870 6567 1 10 . 1 1 782 782 ILE H H 782 7.344 7.344 6.950 0.394 25870 6568 1 10 . 1 1 783 783 GLY N N 783 112.322 112.322 106.407 5.915 25870 6569 1 10 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.175 0.348 25870 6570 1 10 . 1 1 783 783 GLY H H 783 8.122 8.122 8.136 -0.014 25870 6571 1 10 . 1 1 784 784 ASN N N 784 118.727 118.727 117.533 1.194 25870 6572 1 10 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.621 0.261 25870 6573 1 10 . 1 1 784 784 ASN CA C 784 52.098 52.098 52.610 -0.512 25870 6574 1 10 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.734 -1.310 25870 6575 1 10 . 1 1 784 784 ASN H H 784 8.452 8.452 8.592 -0.140 25870 6576 1 10 . 1 1 785 785 ASP N N 785 119.826 119.826 120.052 -0.226 25870 6577 1 10 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.714 0.064 25870 6578 1 10 . 1 1 785 785 ASP CA C 785 52.164 52.164 52.661 -0.497 25870 6579 1 10 . 1 1 785 785 ASP CB C 785 39.657 39.657 41.066 -1.409 25870 6580 1 10 . 1 1 785 785 ASP H H 785 8.145 8.145 7.647 0.498 25870 6581 1 10 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.488 -0.217 25870 6582 1 10 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.184 1.081 25870 6583 1 10 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.336 -0.325 25870 6584 1 10 . 1 1 787 787 GLN N N 787 118.097 118.097 117.785 0.312 25870 6585 1 10 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.153 -0.012 25870 6586 1 10 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.546 0.569 25870 6587 1 10 . 1 1 787 787 GLN CB C 787 27.732 27.732 27.543 0.190 25870 6588 1 10 . 1 1 787 787 GLN H H 787 8.409 8.409 8.566 -0.157 25870 6589 1 10 . 1 1 788 788 GLY N N 788 113.421 113.421 108.650 4.771 25870 6590 1 10 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.709 0.608 25870 6591 1 10 . 1 1 788 788 GLY H H 788 8.644 8.644 8.415 0.229 25870 6592 1 10 . 1 1 789 789 GLU N N 789 121.223 121.223 121.861 -0.638 25870 6593 1 10 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.184 -0.036 25870 6594 1 10 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.141 0.204 25870 6595 1 10 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.691 -0.256 25870 6596 1 10 . 1 1 789 789 GLU H H 789 8.514 8.514 8.758 -0.244 25870 6597 1 10 . 1 1 790 790 ALA N N 790 122.879 122.879 122.524 0.355 25870 6598 1 10 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.192 0.055 25870 6599 1 10 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.129 -0.222 25870 6600 1 10 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.321 -0.541 25870 6601 1 10 . 1 1 790 790 ALA H H 790 8.024 8.024 7.549 0.475 25870 6602 1 10 . 1 1 791 791 GLU N N 791 122.622 122.622 119.072 3.550 25870 6603 1 10 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.095 0.592 25870 6604 1 10 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.715 -0.581 25870 6605 1 10 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.485 -0.424 25870 6606 1 10 . 1 1 791 791 GLU H H 791 8.280 8.280 7.835 0.445 25870 6607 1 10 . 1 1 792 792 PHE N N 792 119.949 119.949 121.500 -1.551 25870 6608 1 10 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.215 -0.177 25870 6609 1 10 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.159 0.653 25870 6610 1 10 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.642 -0.044 25870 6611 1 10 . 1 1 792 792 PHE H H 792 8.722 8.722 8.782 -0.060 25870 6612 1 10 . 1 1 793 793 ALA N N 793 119.652 119.652 121.771 -2.119 25870 6613 1 10 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.371 0.483 25870 6614 1 10 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.625 0.277 25870 6615 1 10 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.886 -0.258 25870 6616 1 10 . 1 1 793 793 ALA H H 793 8.163 8.163 8.087 0.076 25870 6617 1 10 . 1 1 794 794 ARG N N 794 121.092 121.092 119.298 1.794 25870 6618 1 10 . 1 1 794 794 ARG HA H 794 3.910 3.910 3.979 -0.069 25870 6619 1 10 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.215 0.256 25870 6620 1 10 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.209 -0.117 25870 6621 1 10 . 1 1 794 794 ARG H H 794 8.034 8.034 7.743 0.291 25870 6622 1 10 . 1 1 795 795 ILE N N 795 121.394 121.394 120.330 1.064 25870 6623 1 10 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.700 -0.312 25870 6624 1 10 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.335 0.513 25870 6625 1 10 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.209 0.000 25870 6626 1 10 . 1 1 795 795 ILE H H 795 8.049 8.049 7.811 0.238 25870 6627 1 10 . 1 1 796 796 MET N N 796 119.012 119.012 118.472 0.540 25870 6628 1 10 . 1 1 796 796 MET HA H 796 4.155 4.155 3.896 0.259 25870 6629 1 10 . 1 1 796 796 MET CA C 796 56.470 56.470 57.937 -1.467 25870 6630 1 10 . 1 1 796 796 MET CB C 796 29.892 29.892 31.371 -1.479 25870 6631 1 10 . 1 1 796 796 MET H H 796 8.589 8.589 8.214 0.375 25870 6632 1 10 . 1 1 797 797 SER N N 797 114.132 114.132 112.544 1.588 25870 6633 1 10 . 1 1 797 797 SER HA H 797 4.097 4.097 4.282 -0.185 25870 6634 1 10 . 1 1 797 797 SER CA C 797 61.231 61.231 60.481 0.750 25870 6635 1 10 . 1 1 797 797 SER CB C 797 62.895 62.895 63.752 -0.857 25870 6636 1 10 . 1 1 797 797 SER H H 797 7.732 7.732 7.576 0.156 25870 6637 1 10 . 1 1 798 798 ILE N N 798 120.873 120.873 115.740 5.133 25870 6638 1 10 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.131 -0.313 25870 6639 1 10 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.069 0.805 25870 6640 1 10 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.513 0.350 25870 6641 1 10 . 1 1 798 798 ILE H H 798 7.352 7.352 7.679 -0.327 25870 6642 1 10 . 1 1 799 799 VAL N N 799 110.552 110.552 112.539 -1.987 25870 6643 1 10 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.028 0.215 25870 6644 1 10 . 1 1 799 799 VAL CA C 799 62.616 62.616 61.241 1.375 25870 6645 1 10 . 1 1 799 799 VAL CB C 799 32.416 32.416 31.322 1.094 25870 6646 1 10 . 1 1 799 799 VAL H H 799 7.648 7.648 7.767 -0.119 25870 6647 1 10 . 1 1 800 800 ASP N N 800 119.435 119.435 119.650 -0.215 25870 6648 1 10 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.095 0.130 25870 6649 1 10 . 1 1 800 800 ASP CA C 800 51.715 51.715 49.869 1.846 25870 6650 1 10 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.453 -0.367 25870 6651 1 10 . 1 1 800 800 ASP H H 800 8.074 8.074 7.613 0.461 25870 6652 1 10 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.404 -0.073 25870 6653 1 10 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.798 1.021 25870 6654 1 10 . 1 1 801 801 PRO CB C 801 31.689 31.689 31.971 -0.282 25870 6655 1 10 . 1 1 802 802 ASN N N 802 115.164 115.164 116.297 -1.133 25870 6656 1 10 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.709 0.051 25870 6657 1 10 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.735 0.263 25870 6658 1 10 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.708 -1.756 25870 6659 1 10 . 1 1 802 802 ASN H H 802 8.949 8.949 7.626 1.323 25870 6660 1 10 . 1 1 803 803 ARG N N 803 117.446 117.446 116.085 1.361 25870 6661 1 10 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.235 -0.405 25870 6662 1 10 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.938 -0.049 25870 6663 1 10 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.170 -0.816 25870 6664 1 10 . 1 1 803 803 ARG H H 803 7.958 7.958 7.942 0.016 25870 6665 1 10 . 1 1 804 804 LEU N N 804 123.307 123.307 116.553 6.754 25870 6666 1 10 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.714 -0.558 25870 6667 1 10 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.275 2.098 25870 6668 1 10 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.672 1.258 25870 6669 1 10 . 1 1 804 804 LEU H H 804 10.591 10.591 8.215 2.376 25870 6670 1 10 . 1 1 805 805 GLY N N 805 110.516 110.516 107.457 3.059 25870 6671 1 10 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.781 -0.837 25870 6672 1 10 . 1 1 805 805 GLY H H 805 11.001 11.001 8.482 2.519 25870 6673 1 10 . 1 1 806 806 VAL N N 806 109.840 109.840 115.301 -5.461 25870 6674 1 10 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.409 0.162 25870 6675 1 10 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.525 -0.959 25870 6676 1 10 . 1 1 806 806 VAL CB C 806 36.853 36.853 34.508 2.345 25870 6677 1 10 . 1 1 806 806 VAL H H 806 6.831 6.831 7.105 -0.274 25870 6678 1 10 . 1 1 807 807 VAL N N 807 122.184 122.184 122.110 0.074 25870 6679 1 10 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.350 -0.183 25870 6680 1 10 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.778 0.866 25870 6681 1 10 . 1 1 807 807 VAL CB C 807 32.383 32.383 32.134 0.249 25870 6682 1 10 . 1 1 807 807 VAL H H 807 9.007 9.007 8.818 0.189 25870 6683 1 10 . 1 1 808 808 THR N N 808 117.391 117.391 118.141 -0.750 25870 6684 1 10 . 1 1 808 808 THR HA H 808 4.593 4.593 4.705 -0.112 25870 6685 1 10 . 1 1 808 808 THR CA C 808 60.615 60.615 58.731 1.884 25870 6686 1 10 . 1 1 808 808 THR CB C 808 70.695 70.695 71.302 -0.607 25870 6687 1 10 . 1 1 808 808 THR H H 808 7.925 7.925 7.736 0.189 25870 6688 1 10 . 1 1 809 809 PHE N N 809 122.236 122.236 118.850 3.386 25870 6689 1 10 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.482 -0.842 25870 6690 1 10 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.422 0.327 25870 6691 1 10 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.569 0.608 25870 6692 1 10 . 1 1 809 809 PHE H H 809 9.349 9.349 8.283 1.066 25870 6693 1 10 . 1 1 810 810 GLN N N 810 116.788 116.788 116.710 0.078 25870 6694 1 10 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.207 -0.609 25870 6695 1 10 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.867 0.715 25870 6696 1 10 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.489 -0.290 25870 6697 1 10 . 1 1 810 810 GLN H H 810 8.572 8.572 7.709 0.863 25870 6698 1 10 . 1 1 811 811 ALA N N 811 121.208 121.208 122.136 -0.928 25870 6699 1 10 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.165 -0.047 25870 6700 1 10 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.826 1.085 25870 6701 1 10 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.761 0.504 25870 6702 1 10 . 1 1 811 811 ALA H H 811 7.667 7.667 7.655 0.012 25870 6703 1 10 . 1 1 812 812 PHE N N 812 119.805 119.805 118.688 1.117 25870 6704 1 10 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.397 -0.417 25870 6705 1 10 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.049 -0.309 25870 6706 1 10 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.727 0.943 25870 6707 1 10 . 1 1 812 812 PHE H H 812 8.400 8.400 8.314 0.086 25870 6708 1 10 . 1 1 813 813 ILE N N 813 118.098 118.098 118.658 -0.560 25870 6709 1 10 . 1 1 813 813 ILE HA H 813 3.146 3.146 3.962 -0.816 25870 6710 1 10 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.596 0.703 25870 6711 1 10 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.323 -0.121 25870 6712 1 10 . 1 1 813 813 ILE H H 813 8.364 8.364 7.886 0.478 25870 6713 1 10 . 1 1 814 814 ASP N N 814 123.528 123.528 120.654 2.874 25870 6714 1 10 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.326 -0.130 25870 6715 1 10 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.793 -0.113 25870 6716 1 10 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.793 -0.557 25870 6717 1 10 . 1 1 814 814 ASP H H 814 8.221 8.221 7.930 0.291 25870 6718 1 10 . 1 1 815 815 PHE N N 815 120.584 120.584 119.763 0.821 25870 6719 1 10 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.386 -0.257 25870 6720 1 10 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.561 0.523 25870 6721 1 10 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.615 0.083 25870 6722 1 10 . 1 1 815 815 PHE H H 815 7.887 7.887 7.843 0.044 25870 6723 1 10 . 1 1 816 816 MET N N 816 116.960 116.960 119.725 -2.765 25870 6724 1 10 . 1 1 816 816 MET HA H 816 3.782 3.782 4.039 -0.257 25870 6725 1 10 . 1 1 816 816 MET CA C 816 55.662 55.662 57.157 -1.495 25870 6726 1 10 . 1 1 816 816 MET CB C 816 30.033 30.033 31.472 -1.439 25870 6727 1 10 . 1 1 816 816 MET H H 816 8.372 8.372 8.111 0.261 25870 6728 1 10 . 1 1 817 817 SER N N 817 114.277 114.277 112.361 1.916 25870 6729 1 10 . 1 1 817 817 SER HA H 817 4.194 4.194 4.349 -0.155 25870 6730 1 10 . 1 1 817 817 SER CA C 817 60.521 60.521 60.217 0.304 25870 6731 1 10 . 1 1 817 817 SER CB C 817 63.185 63.185 63.414 -0.229 25870 6732 1 10 . 1 1 817 817 SER H H 817 8.074 8.074 8.296 -0.222 25870 6733 1 10 . 1 1 818 818 ARG N N 818 121.493 121.493 120.840 0.653 25870 6734 1 10 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.162 -0.038 25870 6735 1 10 . 1 1 818 818 ARG CA C 818 57.684 57.684 58.380 -0.696 25870 6736 1 10 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.806 0.509 25870 6737 1 10 . 1 1 818 818 ARG H H 818 7.288 7.288 8.072 -0.784 25870 6738 1 10 . 1 1 819 819 GLU N N 819 119.737 119.737 118.930 0.807 25870 6739 1 10 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.129 -0.028 25870 6740 1 10 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.362 -1.296 25870 6741 1 10 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.214 1.277 25870 6742 1 10 . 1 1 819 819 GLU H H 819 8.045 8.045 7.667 0.378 25870 6743 1 10 . 1 1 820 820 THR N N 820 112.128 112.128 110.592 1.536 25870 6744 1 10 . 1 1 820 820 THR HA H 820 4.280 4.280 4.149 0.131 25870 6745 1 10 . 1 1 820 820 THR CA C 820 62.055 62.055 62.034 0.021 25870 6746 1 10 . 1 1 820 820 THR CB C 820 69.828 69.828 69.099 0.729 25870 6747 1 10 . 1 1 820 820 THR H H 820 7.760 7.760 7.397 0.363 25870 6748 1 10 . 1 1 821 821 ALA N N 821 126.098 126.098 124.033 2.065 25870 6749 1 10 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.406 -0.122 25870 6750 1 10 . 1 1 821 821 ALA CA C 821 52.726 52.726 50.855 1.871 25870 6751 1 10 . 1 1 821 821 ALA CB C 821 19.304 19.304 21.201 -1.897 25870 6752 1 10 . 1 1 821 821 ALA H H 821 7.957 7.957 7.313 0.644 25870 6753 1 10 . 1 1 822 822 ASP N N 822 119.904 119.904 120.822 -0.918 25870 6754 1 10 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.498 0.115 25870 6755 1 10 . 1 1 822 822 ASP CA C 822 54.335 54.335 55.047 -0.713 25870 6756 1 10 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.248 -0.215 25870 6757 1 10 . 1 1 822 822 ASP H H 822 8.352 8.352 8.358 -0.006 25870 6758 1 10 . 1 1 823 823 THR N N 823 114.142 114.142 114.908 -0.766 25870 6759 1 10 . 1 1 823 823 THR HA H 823 4.278 4.278 4.622 -0.344 25870 6760 1 10 . 1 1 823 823 THR CA C 823 62.117 62.117 61.125 0.992 25870 6761 1 10 . 1 1 823 823 THR CB C 823 69.584 69.584 71.429 -1.845 25870 6762 1 10 . 1 1 823 823 THR H H 823 8.079 8.079 8.119 -0.040 25870 6763 1 10 . 1 1 824 824 ASP N N 824 123.261 123.261 122.355 0.906 25870 6764 1 10 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.549 0.108 25870 6765 1 10 . 1 1 824 824 ASP CA C 824 54.786 54.786 56.928 -2.142 25870 6766 1 10 . 1 1 824 824 ASP CB C 824 41.085 41.085 41.024 0.061 25870 6767 1 10 . 1 1 824 824 ASP H H 824 8.431 8.431 8.989 -0.558 25870 6768 1 10 . 1 1 825 825 THR N N 825 114.932 114.932 112.981 1.951 25870 6769 1 10 . 1 1 825 825 THR HA H 825 4.161 4.161 4.237 -0.076 25870 6770 1 10 . 1 1 825 825 THR CA C 825 63.109 63.109 64.274 -1.165 25870 6771 1 10 . 1 1 825 825 THR CB C 825 69.455 69.455 68.507 0.948 25870 6772 1 10 . 1 1 825 825 THR H H 825 8.155 8.155 8.464 -0.309 25870 6773 1 10 . 1 1 826 826 ALA N N 826 124.961 124.961 124.691 0.270 25870 6774 1 10 . 1 1 826 826 ALA HA H 826 4.160 4.160 3.990 0.170 25870 6775 1 10 . 1 1 826 826 ALA CA C 826 54.392 54.392 55.024 -0.632 25870 6776 1 10 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.300 0.310 25870 6777 1 10 . 1 1 826 826 ALA H H 826 8.379 8.379 7.377 1.002 25870 6778 1 10 . 1 1 827 827 ASP N N 827 117.765 117.765 117.674 0.091 25870 6779 1 10 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.267 0.158 25870 6780 1 10 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.071 -1.020 25870 6781 1 10 . 1 1 827 827 ASP CB C 827 40.559 40.559 40.971 -0.412 25870 6782 1 10 . 1 1 827 827 ASP H H 827 8.250 8.250 8.208 0.042 25870 6783 1 10 . 1 1 828 828 GLN N N 828 120.523 120.523 118.119 2.404 25870 6784 1 10 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.085 0.006 25870 6785 1 10 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.268 -0.454 25870 6786 1 10 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.736 -0.187 25870 6787 1 10 . 1 1 828 828 GLN H H 828 8.076 8.076 7.976 0.100 25870 6788 1 10 . 1 1 829 829 VAL N N 829 120.970 120.970 120.034 0.936 25870 6789 1 10 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.867 -0.342 25870 6790 1 10 . 1 1 829 829 VAL CA C 829 65.194 65.194 63.958 1.236 25870 6791 1 10 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.971 -0.430 25870 6792 1 10 . 1 1 829 829 VAL H H 829 8.051 8.051 7.395 0.656 25870 6793 1 10 . 1 1 830 830 MET N N 830 119.572 119.572 118.270 1.302 25870 6794 1 10 . 1 1 830 830 MET HA H 830 4.006 4.006 3.395 0.611 25870 6795 1 10 . 1 1 830 830 MET CA C 830 57.977 57.977 57.995 -0.018 25870 6796 1 10 . 1 1 830 830 MET CB C 830 31.995 31.995 31.835 0.160 25870 6797 1 10 . 1 1 830 830 MET H H 830 8.110 8.110 8.112 -0.002 25870 6798 1 10 . 1 1 831 831 ALA N N 831 121.059 121.059 121.873 -0.814 25870 6799 1 10 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.987 0.058 25870 6800 1 10 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.181 0.320 25870 6801 1 10 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.793 0.274 25870 6802 1 10 . 1 1 831 831 ALA H H 831 7.836 7.836 7.580 0.256 25870 6803 1 10 . 1 1 832 832 SER N N 832 114.256 114.256 115.172 -0.916 25870 6804 1 10 . 1 1 832 832 SER HA H 832 4.141 4.141 4.058 0.083 25870 6805 1 10 . 1 1 832 832 SER CA C 832 60.845 60.845 60.806 0.039 25870 6806 1 10 . 1 1 832 832 SER CB C 832 62.613 62.613 62.854 -0.241 25870 6807 1 10 . 1 1 832 832 SER H H 832 7.714 7.714 7.593 0.121 25870 6808 1 10 . 1 1 833 833 PHE N N 833 121.847 121.847 121.006 0.841 25870 6809 1 10 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.242 -0.419 25870 6810 1 10 . 1 1 833 833 PHE CA C 833 58.627 58.627 58.423 0.203 25870 6811 1 10 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.673 0.454 25870 6812 1 10 . 1 1 833 833 PHE H H 833 7.740 7.740 7.457 0.283 25870 6813 1 10 . 1 1 834 834 LYS N N 834 118.759 118.759 120.313 -1.554 25870 6814 1 10 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.402 0.187 25870 6815 1 10 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.336 1.048 25870 6816 1 10 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.786 0.357 25870 6817 1 10 . 1 1 834 834 LYS H H 834 7.843 7.843 7.628 0.215 25870 6818 1 10 . 1 1 835 835 ILE N N 835 118.537 118.537 120.018 -1.481 25870 6819 1 10 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.734 0.002 25870 6820 1 10 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.559 -0.845 25870 6821 1 10 . 1 1 835 835 ILE CB C 835 37.825 37.825 38.059 -0.234 25870 6822 1 10 . 1 1 835 835 ILE H H 835 7.315 7.315 7.370 -0.055 25870 6823 1 10 . 1 1 836 836 LEU N N 836 121.201 121.201 120.092 1.109 25870 6824 1 10 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.866 0.089 25870 6825 1 10 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.174 -0.100 25870 6826 1 10 . 1 1 836 836 LEU CB C 836 42.415 42.415 42.122 0.293 25870 6827 1 10 . 1 1 836 836 LEU H H 836 7.625 7.625 8.015 -0.390 25870 6828 1 10 . 1 1 837 837 ALA N N 837 119.184 119.184 118.172 1.012 25870 6829 1 10 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.922 -0.027 25870 6830 1 10 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.825 -0.524 25870 6831 1 10 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.252 0.086 25870 6832 1 10 . 1 1 837 837 ALA H H 837 8.099 8.099 7.667 0.432 25870 6833 1 10 . 1 1 838 838 GLY N N 838 107.030 107.030 106.640 0.390 25870 6834 1 10 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.191 0.726 25870 6835 1 10 . 1 1 838 838 GLY H H 838 7.676 7.676 7.979 -0.303 25870 6836 1 10 . 1 1 839 839 ASP N N 839 122.291 122.291 124.686 -2.395 25870 6837 1 10 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.839 -0.362 25870 6838 1 10 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.103 1.408 25870 6839 1 10 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.370 -1.189 25870 6840 1 10 . 1 1 839 839 ASP H H 839 8.704 8.704 8.210 0.494 25870 6841 1 10 . 1 1 840 840 LYS N N 840 117.582 117.582 119.622 -2.040 25870 6842 1 10 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.541 -0.240 25870 6843 1 10 . 1 1 840 840 LYS CA C 840 55.780 55.780 55.889 -0.109 25870 6844 1 10 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.579 0.131 25870 6845 1 10 . 1 1 840 840 LYS H H 840 7.583 7.583 7.315 0.268 25870 6846 1 10 . 1 1 841 841 ASN N N 841 116.678 116.678 117.367 -0.689 25870 6847 1 10 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.600 0.011 25870 6848 1 10 . 1 1 841 841 ASN CA C 841 53.466 53.466 54.276 -0.810 25870 6849 1 10 . 1 1 841 841 ASN CB C 841 39.155 39.155 38.983 0.172 25870 6850 1 10 . 1 1 841 841 ASN H H 841 8.693 8.693 8.942 -0.249 25870 6851 1 10 . 1 1 842 842 TYR N N 842 112.236 112.236 114.174 -1.938 25870 6852 1 10 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.758 0.228 25870 6853 1 10 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.003 -1.085 25870 6854 1 10 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.689 -0.094 25870 6855 1 10 . 1 1 842 842 TYR H H 842 6.637 6.637 7.368 -0.731 25870 6856 1 10 . 1 1 843 843 ILE N N 843 115.475 115.475 120.434 -4.959 25870 6857 1 10 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.604 0.188 25870 6858 1 10 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.343 0.614 25870 6859 1 10 . 1 1 843 843 ILE CB C 843 43.009 43.009 43.001 0.008 25870 6860 1 10 . 1 1 843 843 ILE H H 843 8.630 8.630 9.219 -0.589 25870 6861 1 10 . 1 1 844 844 THR N N 844 117.169 117.169 118.905 -1.736 25870 6862 1 10 . 1 1 844 844 THR HA H 844 5.370 5.370 5.127 0.243 25870 6863 1 10 . 1 1 844 844 THR CA C 844 60.177 60.177 60.938 -0.761 25870 6864 1 10 . 1 1 844 844 THR CB C 844 71.088 71.088 70.415 0.673 25870 6865 1 10 . 1 1 844 844 THR H H 844 9.330 9.330 9.359 -0.029 25870 6866 1 10 . 1 1 845 845 MET N N 845 119.860 119.860 120.392 -0.532 25870 6867 1 10 . 1 1 845 845 MET HA H 845 3.824 3.824 3.958 -0.134 25870 6868 1 10 . 1 1 845 845 MET CA C 845 60.321 60.321 60.468 -0.147 25870 6869 1 10 . 1 1 845 845 MET CB C 845 33.030 33.030 32.236 0.794 25870 6870 1 10 . 1 1 845 845 MET H H 845 8.556 8.556 8.844 -0.288 25870 6871 1 10 . 1 1 846 846 ASP N N 846 116.363 116.363 117.931 -1.568 25870 6872 1 10 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.427 -0.147 25870 6873 1 10 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.379 1.025 25870 6874 1 10 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.098 0.486 25870 6875 1 10 . 1 1 846 846 ASP H H 846 8.377 8.377 8.621 -0.244 25870 6876 1 10 . 1 1 847 847 GLU N N 847 120.577 120.577 118.789 1.788 25870 6877 1 10 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.113 -0.259 25870 6878 1 10 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.727 0.930 25870 6879 1 10 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.061 -0.401 25870 6880 1 10 . 1 1 847 847 GLU H H 847 7.855 7.855 7.703 0.152 25870 6881 1 10 . 1 1 848 848 LEU N N 848 118.714 118.714 119.636 -0.922 25870 6882 1 10 . 1 1 848 848 LEU HA H 848 3.822 3.822 3.944 -0.122 25870 6883 1 10 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.724 1.001 25870 6884 1 10 . 1 1 848 848 LEU CB C 848 42.457 42.457 41.865 0.592 25870 6885 1 10 . 1 1 848 848 LEU H H 848 7.849 7.849 7.542 0.307 25870 6886 1 10 . 1 1 849 849 ARG N N 849 113.972 113.972 114.894 -0.922 25870 6887 1 10 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.463 -0.539 25870 6888 1 10 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.201 1.394 25870 6889 1 10 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.219 0.881 25870 6890 1 10 . 1 1 849 849 ARG H H 849 8.053 8.053 7.952 0.101 25870 6891 1 10 . 1 1 850 850 ARG N N 850 118.178 118.178 118.292 -0.114 25870 6892 1 10 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.419 -0.226 25870 6893 1 10 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.552 0.693 25870 6894 1 10 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.657 -0.536 25870 6895 1 10 . 1 1 850 850 ARG H H 850 7.743 7.743 7.908 -0.165 25870 6896 1 10 . 1 1 851 851 GLU N N 851 115.518 115.518 119.492 -3.974 25870 6897 1 10 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.389 -0.039 25870 6898 1 10 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.578 -0.692 25870 6899 1 10 . 1 1 851 851 GLU CB C 851 31.590 31.590 31.135 0.455 25870 6900 1 10 . 1 1 851 851 GLU H H 851 7.596 7.596 7.810 -0.214 25870 6901 1 10 . 1 1 852 852 LEU N N 852 119.148 119.148 120.971 -1.823 25870 6902 1 10 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.328 -0.434 25870 6903 1 10 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.389 0.785 25870 6904 1 10 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.992 0.477 25870 6905 1 10 . 1 1 852 852 LEU H H 852 7.890 7.890 8.126 -0.236 25870 6906 1 10 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.477 -0.130 25870 6907 1 10 . 1 1 853 853 PRO CA C 853 65.119 65.119 63.920 1.199 25870 6908 1 10 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.277 1.354 25870 6909 1 10 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.486 -0.216 25870 6910 1 10 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.943 4.393 25870 6911 1 10 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.268 -1.012 25870 6912 1 10 . 1 1 855 855 ASP N N 855 114.865 114.865 119.334 -4.469 25870 6913 1 10 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.262 0.087 25870 6914 1 10 . 1 1 855 855 ASP CA C 855 56.913 56.913 58.028 -1.115 25870 6915 1 10 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.794 -1.550 25870 6916 1 10 . 1 1 855 855 ASP H H 855 8.801 8.801 8.255 0.546 25870 6917 1 10 . 1 1 856 856 GLN N N 856 121.465 121.465 118.352 3.113 25870 6918 1 10 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.295 -0.096 25870 6919 1 10 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.340 -1.023 25870 6920 1 10 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.207 1.040 25870 6921 1 10 . 1 1 856 856 GLN H H 856 7.472 7.472 8.605 -1.133 25870 6922 1 10 . 1 1 857 857 ALA N N 857 122.805 122.805 122.305 0.500 25870 6923 1 10 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.853 -0.054 25870 6924 1 10 . 1 1 857 857 ALA CA C 857 56.303 56.303 56.243 0.060 25870 6925 1 10 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.317 -0.373 25870 6926 1 10 . 1 1 857 857 ALA H H 857 8.882 8.882 8.200 0.682 25870 6927 1 10 . 1 1 858 858 GLU N N 858 114.094 114.094 119.081 -4.987 25870 6928 1 10 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.032 -0.008 25870 6929 1 10 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.865 -0.183 25870 6930 1 10 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.016 -0.377 25870 6931 1 10 . 1 1 858 858 GLU H H 858 8.155 8.155 7.801 0.354 25870 6932 1 10 . 1 1 859 859 TYR N N 859 120.665 120.665 122.278 -1.613 25870 6933 1 10 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.212 -0.128 25870 6934 1 10 . 1 1 859 859 TYR CA C 859 61.006 61.006 61.089 -0.083 25870 6935 1 10 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.213 0.474 25870 6936 1 10 . 1 1 859 859 TYR H H 859 7.708 7.708 8.484 -0.776 25870 6937 1 10 . 1 1 860 860 CYS N N 860 115.812 115.812 117.744 -1.932 25870 6938 1 10 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.394 0.764 25870 6939 1 10 . 1 1 860 860 CYS CA C 860 64.254 64.254 63.831 0.422 25870 6940 1 10 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.766 0.538 25870 6941 1 10 . 1 1 860 860 CYS H H 860 8.113 8.113 7.722 0.391 25870 6942 1 10 . 1 1 861 861 ILE N N 861 120.078 120.078 121.195 -1.117 25870 6943 1 10 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.623 -0.284 25870 6944 1 10 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.374 0.269 25870 6945 1 10 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.648 1.066 25870 6946 1 10 . 1 1 861 861 ILE H H 861 8.453 8.453 8.251 0.202 25870 6947 1 10 . 1 1 862 862 ALA N N 862 116.691 116.691 120.942 -4.251 25870 6948 1 10 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.277 -0.068 25870 6949 1 10 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.228 -1.006 25870 6950 1 10 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.911 0.091 25870 6951 1 10 . 1 1 862 862 ALA H H 862 7.307 7.307 8.363 -1.056 25870 6952 1 10 . 1 1 863 863 ARG N N 863 117.226 117.226 114.770 2.456 25870 6953 1 10 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.624 -0.350 25870 6954 1 10 . 1 1 863 863 ARG CA C 863 56.051 56.051 54.935 1.116 25870 6955 1 10 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.759 0.630 25870 6956 1 10 . 1 1 863 863 ARG H H 863 7.358 7.358 7.541 -0.183 25870 6957 1 10 . 1 1 864 864 MET N N 864 117.583 117.583 118.855 -1.272 25870 6958 1 10 . 1 1 864 864 MET HA H 864 4.561 4.561 4.559 0.002 25870 6959 1 10 . 1 1 864 864 MET CA C 864 54.927 54.927 55.257 -0.330 25870 6960 1 10 . 1 1 864 864 MET CB C 864 37.418 37.418 35.252 2.166 25870 6961 1 10 . 1 1 864 864 MET H H 864 7.153 7.153 7.507 -0.354 25870 6962 1 10 . 1 1 865 865 ALA N N 865 124.643 124.643 123.355 1.288 25870 6963 1 10 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.953 -1.087 25870 6964 1 10 . 1 1 865 865 ALA CA C 865 49.194 49.194 48.750 0.444 25870 6965 1 10 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.572 0.075 25870 6966 1 10 . 1 1 865 865 ALA H H 865 8.557 8.557 8.137 0.420 25870 6967 1 10 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.487 0.009 25870 6968 1 10 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.912 -0.188 25870 6969 1 10 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.291 1.689 25870 6970 1 10 . 1 1 867 867 TYR N N 867 122.461 122.461 125.260 -2.799 25870 6971 1 10 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.571 0.157 25870 6972 1 10 . 1 1 867 867 TYR CA C 867 57.096 57.096 56.757 0.339 25870 6973 1 10 . 1 1 867 867 TYR CB C 867 39.175 39.175 38.045 1.130 25870 6974 1 10 . 1 1 867 867 TYR H H 867 8.128 8.128 8.101 0.027 25870 6975 1 10 . 1 1 868 868 THR HA H 868 4.351 4.351 4.617 -0.266 25870 6976 1 10 . 1 1 868 868 THR CA C 868 60.271 60.271 60.205 0.066 25870 6977 1 10 . 1 1 868 868 THR CB C 868 68.737 68.737 71.360 -2.623 25870 6978 1 10 . 1 1 869 869 GLY CA C 869 44.914 44.914 44.684 0.230 25870 6979 1 10 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.432 -0.103 25870 6980 1 10 . 1 1 870 870 PRO CA C 870 64.697 64.697 64.151 0.546 25870 6981 1 10 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.076 -0.497 25870 6982 1 10 . 1 1 871 871 ASP N N 871 116.207 116.207 117.468 -1.261 25870 6983 1 10 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.759 -0.155 25870 6984 1 10 . 1 1 871 871 ASP CA C 871 52.749 52.749 53.241 -0.492 25870 6985 1 10 . 1 1 871 871 ASP CB C 871 38.929 38.929 41.018 -2.089 25870 6986 1 10 . 1 1 871 871 ASP H H 871 9.267 9.267 8.538 0.729 25870 6987 1 10 . 1 1 872 872 SER N N 872 112.349 112.349 114.572 -2.223 25870 6988 1 10 . 1 1 872 872 SER HA H 872 3.497 3.497 4.549 -1.052 25870 6989 1 10 . 1 1 872 872 SER CA C 872 59.065 59.065 56.863 2.202 25870 6990 1 10 . 1 1 872 872 SER CB C 872 63.125 63.125 64.525 -1.400 25870 6991 1 10 . 1 1 872 872 SER H H 872 7.487 7.487 7.301 0.186 25870 6992 1 10 . 1 1 873 873 VAL N N 873 113.567 113.567 114.543 -0.976 25870 6993 1 10 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.599 0.130 25870 6994 1 10 . 1 1 873 873 VAL CA C 873 58.044 58.044 57.930 0.114 25870 6995 1 10 . 1 1 873 873 VAL CB C 873 32.911 32.911 33.058 -0.147 25870 6996 1 10 . 1 1 873 873 VAL H H 873 6.411 6.411 8.097 -1.686 25870 6997 1 10 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.439 -0.143 25870 6998 1 10 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.327 1.008 25870 6999 1 10 . 1 1 874 874 PRO CB C 874 31.515 31.515 30.476 1.039 25870 7000 1 10 . 1 1 875 875 GLY N N 875 112.118 112.118 111.767 0.351 25870 7001 1 10 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.969 0.587 25870 7002 1 10 . 1 1 875 875 GLY H H 875 8.800 8.800 8.109 0.691 25870 7003 1 10 . 1 1 876 876 ALA N N 876 120.262 120.262 123.304 -3.042 25870 7004 1 10 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.458 -1.358 25870 7005 1 10 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.561 2.512 25870 7006 1 10 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.819 -1.311 25870 7007 1 10 . 1 1 876 876 ALA H H 876 7.762 7.762 7.788 -0.026 25870 7008 1 10 . 1 1 877 877 LEU N N 877 125.695 125.695 121.565 4.130 25870 7009 1 10 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.211 -0.435 25870 7010 1 10 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.649 0.620 25870 7011 1 10 . 1 1 877 877 LEU CB C 877 44.799 44.799 46.980 -2.180 25870 7012 1 10 . 1 1 877 877 LEU H H 877 9.595 9.595 9.302 0.293 25870 7013 1 10 . 1 1 878 878 ASP N N 878 119.823 119.823 122.034 -2.211 25870 7014 1 10 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.526 0.353 25870 7015 1 10 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.910 -0.913 25870 7016 1 10 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.779 -0.998 25870 7017 1 10 . 1 1 878 878 ASP H H 878 9.031 9.031 7.864 1.167 25870 7018 1 10 . 1 1 879 879 TYR N N 879 126.556 126.556 123.804 2.752 25870 7019 1 10 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.358 0.233 25870 7020 1 10 . 1 1 879 879 TYR CA C 879 59.396 59.396 60.315 -0.919 25870 7021 1 10 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.828 -0.507 25870 7022 1 10 . 1 1 879 879 TYR H H 879 7.456 7.456 8.162 -0.706 25870 7023 1 10 . 1 1 880 880 MET N N 880 119.958 119.958 115.103 4.855 25870 7024 1 10 . 1 1 880 880 MET HA H 880 4.605 4.605 4.802 -0.197 25870 7025 1 10 . 1 1 880 880 MET CA C 880 56.044 56.044 57.473 -1.429 25870 7026 1 10 . 1 1 880 880 MET CB C 880 30.101 30.101 33.301 -3.200 25870 7027 1 10 . 1 1 880 880 MET H H 880 7.627 7.627 7.394 0.233 25870 7028 1 10 . 1 1 881 881 SER N N 881 114.328 114.328 116.027 -1.699 25870 7029 1 10 . 1 1 881 881 SER HA H 881 4.471 4.471 4.575 -0.104 25870 7030 1 10 . 1 1 881 881 SER CA C 881 58.917 58.917 57.411 1.506 25870 7031 1 10 . 1 1 881 881 SER CB C 881 64.447 64.447 63.586 0.862 25870 7032 1 10 . 1 1 881 881 SER H H 881 7.726 7.726 8.279 -0.553 25870 7033 1 10 . 1 1 882 882 PHE N N 882 122.735 122.735 119.423 3.312 25870 7034 1 10 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.383 0.339 25870 7035 1 10 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.334 1.897 25870 7036 1 10 . 1 1 882 882 PHE CB C 882 40.285 40.285 38.994 1.291 25870 7037 1 10 . 1 1 882 882 PHE H H 882 7.385 7.385 7.395 -0.010 25870 7038 1 10 . 1 1 883 883 SER N N 883 120.156 120.156 117.337 2.819 25870 7039 1 10 . 1 1 883 883 SER HA H 883 4.299 4.299 4.315 -0.016 25870 7040 1 10 . 1 1 883 883 SER CA C 883 57.280 57.280 59.038 -1.758 25870 7041 1 10 . 1 1 883 883 SER CB C 883 64.601 64.601 63.851 0.750 25870 7042 1 10 . 1 1 883 883 SER H H 883 7.472 7.472 8.129 -0.657 25870 7043 1 10 . 1 1 884 884 THR N N 884 110.683 110.683 114.380 -3.697 25870 7044 1 10 . 1 1 884 884 THR HA H 884 3.966 3.966 3.972 -0.006 25870 7045 1 10 . 1 1 884 884 THR CA C 884 63.465 63.465 62.822 0.643 25870 7046 1 10 . 1 1 884 884 THR CB C 884 68.899 68.899 68.885 0.015 25870 7047 1 10 . 1 1 884 884 THR H H 884 7.996 7.996 8.096 -0.100 25870 7048 1 10 . 1 1 885 885 ALA N N 885 125.456 125.456 124.734 0.722 25870 7049 1 10 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.511 -0.275 25870 7050 1 10 . 1 1 885 885 ALA CA C 885 52.030 52.030 50.737 1.293 25870 7051 1 10 . 1 1 885 885 ALA CB C 885 19.225 19.225 20.521 -1.296 25870 7052 1 10 . 1 1 885 885 ALA H H 885 7.905 7.905 7.455 0.450 25870 7053 1 10 . 1 1 886 886 LEU N N 886 120.638 120.638 124.849 -4.211 25870 7054 1 10 . 1 1 886 886 LEU HA H 886 4.002 4.002 3.846 0.156 25870 7055 1 10 . 1 1 886 886 LEU CA C 886 55.462 55.462 55.481 -0.019 25870 7056 1 10 . 1 1 886 886 LEU CB C 886 42.265 42.265 41.921 0.344 25870 7057 1 10 . 1 1 886 886 LEU H H 886 8.079 8.079 8.504 -0.425 25870 7058 1 10 . 1 1 887 887 TYR N N 887 121.526 121.526 117.627 3.899 25870 7059 1 10 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.322 0.034 25870 7060 1 10 . 1 1 887 887 TYR CA C 887 58.750 58.750 58.395 0.355 25870 7061 1 10 . 1 1 887 887 TYR CB C 887 38.569 38.569 34.963 3.606 25870 7062 1 10 . 1 1 887 887 TYR H H 887 8.267 8.267 8.045 0.222 25870 7063 1 10 . 1 1 888 888 GLY N N 888 112.379 112.379 105.765 6.614 25870 7064 1 10 . 1 1 888 888 GLY CA C 888 45.090 45.090 45.185 -0.095 25870 7065 1 10 . 1 1 888 888 GLY H H 888 8.087 8.087 7.875 0.212 25870 7066 1 10 . 1 1 889 889 GLU N N 889 120.255 120.255 117.688 2.567 25870 7067 1 10 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.281 -0.025 25870 7068 1 10 . 1 1 889 889 GLU CA C 889 56.445 56.445 56.207 0.238 25870 7069 1 10 . 1 1 889 889 GLU CB C 889 30.393 30.393 29.923 0.470 25870 7070 1 10 . 1 1 889 889 GLU H H 889 7.994 7.994 7.552 0.442 25870 7071 1 10 . 1 1 890 890 SER N N 890 116.375 116.375 117.550 -1.175 25870 7072 1 10 . 1 1 890 890 SER HA H 890 4.415 4.415 4.469 -0.054 25870 7073 1 10 . 1 1 890 890 SER CA C 890 58.204 58.204 59.240 -1.036 25870 7074 1 10 . 1 1 890 890 SER CB C 890 63.913 63.913 63.512 0.401 25870 7075 1 10 . 1 1 890 890 SER H H 890 8.329 8.329 7.547 0.782 25870 7076 1 10 . 1 1 891 891 ASP N N 891 123.017 123.017 127.360 -4.343 25870 7077 1 10 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.599 0.011 25870 7078 1 10 . 1 1 891 891 ASP CA C 891 54.371 54.371 55.260 -0.889 25870 7079 1 10 . 1 1 891 891 ASP CB C 891 41.013 41.013 41.378 -0.365 25870 7080 1 10 . 1 1 891 891 ASP H H 891 8.394 8.394 8.765 -0.371 25870 7081 1 11 . 1 1 742 742 SER HA H 742 4.525 4.525 3.961 0.564 25870 7082 1 11 . 1 1 742 742 SER CA C 742 58.148 58.148 61.450 -3.302 25870 7083 1 11 . 1 1 742 742 SER CB C 742 63.791 63.791 62.545 1.246 25870 7084 1 11 . 1 1 743 743 ILE N N 743 122.172 122.172 121.366 0.806 25870 7085 1 11 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.371 -0.009 25870 7086 1 11 . 1 1 743 743 ILE CA C 743 60.421 60.421 59.802 0.619 25870 7087 1 11 . 1 1 743 743 ILE CB C 743 39.166 39.166 40.434 -1.268 25870 7088 1 11 . 1 1 743 743 ILE H H 743 8.132 8.132 7.861 0.271 25870 7089 1 11 . 1 1 744 744 SER N N 744 123.144 123.144 122.314 0.830 25870 7090 1 11 . 1 1 744 744 SER HA H 744 4.449 4.449 4.780 -0.331 25870 7091 1 11 . 1 1 744 744 SER CA C 744 57.463 57.463 57.319 0.144 25870 7092 1 11 . 1 1 744 744 SER CB C 744 65.219 65.219 65.827 -0.608 25870 7093 1 11 . 1 1 744 744 SER H H 744 8.848 8.848 8.389 0.459 25870 7094 1 11 . 1 1 745 745 GLN N N 745 121.619 121.619 121.150 0.469 25870 7095 1 11 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.164 -0.212 25870 7096 1 11 . 1 1 745 745 GLN CA C 745 58.768 58.768 58.965 -0.197 25870 7097 1 11 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.661 -0.149 25870 7098 1 11 . 1 1 745 745 GLN H H 745 9.042 9.042 9.118 -0.076 25870 7099 1 11 . 1 1 746 746 GLU N N 746 118.648 118.648 119.536 -0.888 25870 7100 1 11 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.162 -0.158 25870 7101 1 11 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.807 1.416 25870 7102 1 11 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.298 -0.444 25870 7103 1 11 . 1 1 746 746 GLU H H 746 8.721 8.721 8.453 0.268 25870 7104 1 11 . 1 1 747 747 GLN N N 747 120.463 120.463 120.610 -0.147 25870 7105 1 11 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.404 -0.638 25870 7106 1 11 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.584 -0.278 25870 7107 1 11 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.680 0.268 25870 7108 1 11 . 1 1 747 747 GLN H H 747 7.838 7.838 8.296 -0.458 25870 7109 1 11 . 1 1 748 748 MET N N 748 119.252 119.252 115.403 3.849 25870 7110 1 11 . 1 1 748 748 MET HA H 748 4.200 4.200 4.465 -0.265 25870 7111 1 11 . 1 1 748 748 MET CA C 748 58.096 58.096 59.175 -1.079 25870 7112 1 11 . 1 1 748 748 MET CB C 748 30.900 30.900 32.356 -1.456 25870 7113 1 11 . 1 1 748 748 MET H H 748 8.473 8.473 8.031 0.442 25870 7114 1 11 . 1 1 749 749 ASN N N 749 117.740 117.740 118.639 -0.899 25870 7115 1 11 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.477 -0.003 25870 7116 1 11 . 1 1 749 749 ASN CA C 749 55.795 55.795 56.045 -0.250 25870 7117 1 11 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.675 -1.262 25870 7118 1 11 . 1 1 749 749 ASN H H 749 8.334 8.334 7.664 0.670 25870 7119 1 11 . 1 1 750 750 GLU N N 750 122.848 122.848 119.741 3.107 25870 7120 1 11 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.136 0.068 25870 7121 1 11 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.536 0.805 25870 7122 1 11 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.544 -0.360 25870 7123 1 11 . 1 1 750 750 GLU H H 750 7.838 7.838 8.427 -0.589 25870 7124 1 11 . 1 1 751 751 PHE N N 751 120.177 120.177 122.962 -2.785 25870 7125 1 11 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.404 0.617 25870 7126 1 11 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.338 -0.985 25870 7127 1 11 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.434 -1.637 25870 7128 1 11 . 1 1 751 751 PHE H H 751 8.785 8.785 8.579 0.206 25870 7129 1 11 . 1 1 752 752 ARG N N 752 120.528 120.528 120.150 0.378 25870 7130 1 11 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.940 0.220 25870 7131 1 11 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.191 1.513 25870 7132 1 11 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.500 1.468 25870 7133 1 11 . 1 1 752 752 ARG H H 752 9.016 9.016 8.128 0.888 25870 7134 1 11 . 1 1 753 753 ALA N N 753 121.112 121.112 122.537 -1.425 25870 7135 1 11 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.382 -0.137 25870 7136 1 11 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.728 0.603 25870 7137 1 11 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.846 -0.023 25870 7138 1 11 . 1 1 753 753 ALA H H 753 8.100 8.100 7.787 0.313 25870 7139 1 11 . 1 1 754 754 SER N N 754 115.589 115.589 115.165 0.424 25870 7140 1 11 . 1 1 754 754 SER HA H 754 4.452 4.452 4.190 0.262 25870 7141 1 11 . 1 1 754 754 SER CA C 754 62.675 62.675 60.518 2.157 25870 7142 1 11 . 1 1 754 754 SER CB C 754 63.359 63.359 62.815 0.545 25870 7143 1 11 . 1 1 754 754 SER H H 754 8.391 8.391 7.762 0.629 25870 7144 1 11 . 1 1 755 755 PHE N N 755 121.886 121.886 119.693 2.193 25870 7145 1 11 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.882 -0.240 25870 7146 1 11 . 1 1 755 755 PHE CA C 755 61.964 61.964 58.800 3.164 25870 7147 1 11 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.624 1.198 25870 7148 1 11 . 1 1 755 755 PHE H H 755 8.675 8.675 7.643 1.032 25870 7149 1 11 . 1 1 756 756 ASN N N 756 113.618 113.618 112.907 0.711 25870 7150 1 11 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.189 0.238 25870 7151 1 11 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.158 3.453 25870 7152 1 11 . 1 1 756 756 ASN CB C 756 37.838 37.838 39.041 -1.203 25870 7153 1 11 . 1 1 756 756 ASN H H 756 8.593 8.593 7.671 0.922 25870 7154 1 11 . 1 1 757 757 HIS N N 757 119.679 119.679 121.307 -1.628 25870 7155 1 11 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.267 -0.188 25870 7156 1 11 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.454 0.890 25870 7157 1 11 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.156 -0.267 25870 7158 1 11 . 1 1 757 757 HIS H H 757 8.139 8.139 7.642 0.497 25870 7159 1 11 . 1 1 758 758 PHE N N 758 113.051 113.051 116.617 -3.566 25870 7160 1 11 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.381 -0.320 25870 7161 1 11 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.167 2.530 25870 7162 1 11 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.417 -1.682 25870 7163 1 11 . 1 1 758 758 PHE H H 758 7.585 7.585 7.499 0.086 25870 7164 1 11 . 1 1 759 759 ASP N N 759 120.916 120.916 121.486 -0.570 25870 7165 1 11 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.422 0.087 25870 7166 1 11 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.897 -2.725 25870 7167 1 11 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.557 -2.548 25870 7168 1 11 . 1 1 759 759 ASP H H 759 7.423 7.423 7.817 -0.394 25870 7169 1 11 . 1 1 760 760 ARG N N 760 124.819 124.819 126.276 -1.457 25870 7170 1 11 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.069 -0.301 25870 7171 1 11 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.631 -0.356 25870 7172 1 11 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.661 -0.412 25870 7173 1 11 . 1 1 760 760 ARG H H 760 7.781 7.781 8.290 -0.509 25870 7174 1 11 . 1 1 761 761 ASP N N 761 113.673 113.673 112.809 0.864 25870 7175 1 11 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.713 -0.230 25870 7176 1 11 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.332 -1.355 25870 7177 1 11 . 1 1 761 761 ASP CB C 761 39.522 39.522 41.234 -1.712 25870 7178 1 11 . 1 1 761 761 ASP H H 761 7.821 7.821 8.112 -0.291 25870 7179 1 11 . 1 1 762 762 HIS N N 762 114.966 114.966 116.951 -1.985 25870 7180 1 11 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.206 -0.045 25870 7181 1 11 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.725 -0.107 25870 7182 1 11 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.680 -2.300 25870 7183 1 11 . 1 1 762 762 HIS H H 762 7.744 7.744 7.973 -0.229 25870 7184 1 11 . 1 1 763 763 SER N N 763 115.077 115.077 113.429 1.648 25870 7185 1 11 . 1 1 763 763 SER HA H 763 4.336 4.336 4.367 -0.031 25870 7186 1 11 . 1 1 763 763 SER CA C 763 59.860 59.860 59.140 0.720 25870 7187 1 11 . 1 1 763 763 SER CB C 763 65.192 65.192 64.297 0.895 25870 7188 1 11 . 1 1 763 763 SER H H 763 8.726 8.726 7.973 0.753 25870 7189 1 11 . 1 1 764 764 GLY N N 764 116.915 116.915 110.425 6.490 25870 7190 1 11 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.696 -0.247 25870 7191 1 11 . 1 1 764 764 GLY H H 764 11.017 11.017 8.711 2.306 25870 7192 1 11 . 1 1 765 765 THR N N 765 107.334 107.334 110.542 -3.208 25870 7193 1 11 . 1 1 765 765 THR HA H 765 4.829 4.829 5.242 -0.413 25870 7194 1 11 . 1 1 765 765 THR CA C 765 58.759 58.759 60.726 -1.967 25870 7195 1 11 . 1 1 765 765 THR CB C 765 73.383 73.383 72.208 1.175 25870 7196 1 11 . 1 1 765 765 THR H H 765 7.693 7.693 7.966 -0.273 25870 7197 1 11 . 1 1 766 766 LEU N N 766 124.664 124.664 125.001 -0.337 25870 7198 1 11 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.798 0.102 25870 7199 1 11 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.856 -1.517 25870 7200 1 11 . 1 1 766 766 LEU CB C 766 42.339 42.339 43.491 -1.152 25870 7201 1 11 . 1 1 766 766 LEU H H 766 9.209 9.209 8.708 0.501 25870 7202 1 11 . 1 1 767 767 GLY N N 767 112.024 112.024 111.717 0.307 25870 7203 1 11 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.820 0.303 25870 7204 1 11 . 1 1 767 767 GLY H H 767 8.910 8.910 9.094 -0.184 25870 7205 1 11 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.540 -0.222 25870 7206 1 11 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.217 0.910 25870 7207 1 11 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.002 0.027 25870 7208 1 11 . 1 1 769 769 GLU N N 769 115.246 115.246 116.861 -1.615 25870 7209 1 11 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.095 -0.124 25870 7210 1 11 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.526 1.095 25870 7211 1 11 . 1 1 769 769 GLU CB C 769 28.628 28.628 28.709 -0.081 25870 7212 1 11 . 1 1 769 769 GLU H H 769 8.622 8.622 9.060 -0.438 25870 7213 1 11 . 1 1 770 770 GLU N N 770 121.127 121.127 118.622 2.505 25870 7214 1 11 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.210 0.062 25870 7215 1 11 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.575 -0.078 25870 7216 1 11 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.852 1.520 25870 7217 1 11 . 1 1 770 770 GLU H H 770 7.493 7.493 8.171 -0.678 25870 7218 1 11 . 1 1 771 771 PHE N N 771 117.688 117.688 122.606 -4.918 25870 7219 1 11 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.288 0.067 25870 7220 1 11 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.659 -2.034 25870 7221 1 11 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.197 -0.387 25870 7222 1 11 . 1 1 771 771 PHE H H 771 9.110 9.110 8.894 0.216 25870 7223 1 11 . 1 1 772 772 LYS N N 772 119.789 119.789 118.341 1.448 25870 7224 1 11 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.600 -0.287 25870 7225 1 11 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.410 2.262 25870 7226 1 11 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.756 1.222 25870 7227 1 11 . 1 1 772 772 LYS H H 772 8.594 8.594 8.180 0.414 25870 7228 1 11 . 1 1 773 773 ALA N N 773 118.461 118.461 120.928 -2.467 25870 7229 1 11 . 1 1 773 773 ALA HA H 773 3.881 3.881 3.966 -0.085 25870 7230 1 11 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.942 1.071 25870 7231 1 11 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.953 -1.324 25870 7232 1 11 . 1 1 773 773 ALA H H 773 7.231 7.231 7.363 -0.132 25870 7233 1 11 . 1 1 774 774 CYS N N 774 120.913 120.913 117.905 3.008 25870 7234 1 11 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.930 -0.495 25870 7235 1 11 . 1 1 774 774 CYS CA C 774 61.174 61.174 62.402 -1.228 25870 7236 1 11 . 1 1 774 774 CYS CB C 774 26.215 26.215 27.667 -1.452 25870 7237 1 11 . 1 1 774 774 CYS H H 774 7.498 7.498 7.494 0.004 25870 7238 1 11 . 1 1 775 775 LEU N N 775 119.201 119.201 119.340 -0.139 25870 7239 1 11 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.568 0.198 25870 7240 1 11 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.825 1.107 25870 7241 1 11 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.428 -0.478 25870 7242 1 11 . 1 1 775 775 LEU H H 775 8.372 8.372 7.684 0.688 25870 7243 1 11 . 1 1 776 776 ILE N N 776 121.051 121.051 117.027 4.024 25870 7244 1 11 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.445 1.645 25870 7245 1 11 . 1 1 776 776 ILE CA C 776 65.244 65.244 63.877 1.367 25870 7246 1 11 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.230 0.762 25870 7247 1 11 . 1 1 776 776 ILE H H 776 8.358 8.358 6.639 1.719 25870 7248 1 11 . 1 1 777 777 SER N N 777 119.109 119.109 113.511 5.598 25870 7249 1 11 . 1 1 777 777 SER HA H 777 4.291 4.291 4.213 0.078 25870 7250 1 11 . 1 1 777 777 SER CA C 777 61.725 61.725 60.316 1.409 25870 7251 1 11 . 1 1 777 777 SER CB C 777 62.995 62.995 63.082 -0.087 25870 7252 1 11 . 1 1 777 777 SER H H 777 7.822 7.822 7.240 0.582 25870 7253 1 11 . 1 1 778 778 LEU N N 778 121.208 121.208 118.993 2.215 25870 7254 1 11 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.547 -0.041 25870 7255 1 11 . 1 1 778 778 LEU CA C 778 54.999 54.999 54.172 0.827 25870 7256 1 11 . 1 1 778 778 LEU CB C 778 42.670 42.670 43.153 -0.483 25870 7257 1 11 . 1 1 778 778 LEU H H 778 7.671 7.671 7.275 0.396 25870 7258 1 11 . 1 1 779 779 GLY N N 779 106.232 106.232 106.195 0.037 25870 7259 1 11 . 1 1 779 779 GLY CA C 779 45.287 45.287 44.919 0.368 25870 7260 1 11 . 1 1 779 779 GLY H H 779 7.897 7.897 7.417 0.480 25870 7261 1 11 . 1 1 780 780 TYR N N 780 120.772 120.772 119.410 1.362 25870 7262 1 11 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.661 -0.519 25870 7263 1 11 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.345 3.886 25870 7264 1 11 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.513 -0.172 25870 7265 1 11 . 1 1 780 780 TYR H H 780 8.072 8.072 7.388 0.684 25870 7266 1 11 . 1 1 781 781 ASP N N 781 124.304 124.304 117.677 6.627 25870 7267 1 11 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.713 -0.048 25870 7268 1 11 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.470 -0.322 25870 7269 1 11 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.482 -0.678 25870 7270 1 11 . 1 1 781 781 ASP H H 781 8.862 8.862 9.086 -0.224 25870 7271 1 11 . 1 1 782 782 ILE N N 782 122.271 122.271 112.867 9.404 25870 7272 1 11 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.428 -0.087 25870 7273 1 11 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.060 -0.068 25870 7274 1 11 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.529 -2.622 25870 7275 1 11 . 1 1 782 782 ILE H H 782 7.344 7.344 6.978 0.366 25870 7276 1 11 . 1 1 783 783 GLY N N 783 112.322 112.322 105.844 6.478 25870 7277 1 11 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.127 0.396 25870 7278 1 11 . 1 1 783 783 GLY H H 783 8.122 8.122 8.179 -0.057 25870 7279 1 11 . 1 1 784 784 ASN N N 784 118.727 118.727 118.704 0.023 25870 7280 1 11 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.889 -0.007 25870 7281 1 11 . 1 1 784 784 ASN CA C 784 52.098 52.098 53.034 -0.936 25870 7282 1 11 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.687 -1.263 25870 7283 1 11 . 1 1 784 784 ASN H H 784 8.452 8.452 8.541 -0.089 25870 7284 1 11 . 1 1 785 785 ASP N N 785 119.826 119.826 121.108 -1.282 25870 7285 1 11 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.788 -0.010 25870 7286 1 11 . 1 1 785 785 ASP CA C 785 52.164 52.164 52.408 -0.244 25870 7287 1 11 . 1 1 785 785 ASP CB C 785 39.657 39.657 41.104 -1.447 25870 7288 1 11 . 1 1 785 785 ASP H H 785 8.145 8.145 7.617 0.528 25870 7289 1 11 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.236 0.035 25870 7290 1 11 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.251 1.014 25870 7291 1 11 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.123 -0.112 25870 7292 1 11 . 1 1 787 787 GLN N N 787 118.097 118.097 118.085 0.012 25870 7293 1 11 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.337 -0.196 25870 7294 1 11 . 1 1 787 787 GLN CA C 787 59.115 59.115 57.780 1.335 25870 7295 1 11 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.645 -0.913 25870 7296 1 11 . 1 1 787 787 GLN H H 787 8.409 8.409 8.421 -0.012 25870 7297 1 11 . 1 1 788 788 GLY N N 788 113.421 113.421 109.145 4.276 25870 7298 1 11 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.855 0.462 25870 7299 1 11 . 1 1 788 788 GLY H H 788 8.644 8.644 8.465 0.179 25870 7300 1 11 . 1 1 789 789 GLU N N 789 121.223 121.223 121.396 -0.173 25870 7301 1 11 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.272 -0.124 25870 7302 1 11 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.294 0.050 25870 7303 1 11 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.352 0.083 25870 7304 1 11 . 1 1 789 789 GLU H H 789 8.514 8.514 8.432 0.082 25870 7305 1 11 . 1 1 790 790 ALA N N 790 122.879 122.879 122.475 0.404 25870 7306 1 11 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.205 0.042 25870 7307 1 11 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.125 -0.218 25870 7308 1 11 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.453 -0.673 25870 7309 1 11 . 1 1 790 790 ALA H H 790 8.024 8.024 7.612 0.412 25870 7310 1 11 . 1 1 791 791 GLU N N 791 122.622 122.622 119.132 3.490 25870 7311 1 11 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.101 0.586 25870 7312 1 11 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.620 -0.486 25870 7313 1 11 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.462 -0.400 25870 7314 1 11 . 1 1 791 791 GLU H H 791 8.280 8.280 7.832 0.448 25870 7315 1 11 . 1 1 792 792 PHE N N 792 119.949 119.949 121.543 -1.594 25870 7316 1 11 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.188 -0.150 25870 7317 1 11 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.160 0.652 25870 7318 1 11 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.383 0.215 25870 7319 1 11 . 1 1 792 792 PHE H H 792 8.722 8.722 8.800 -0.078 25870 7320 1 11 . 1 1 793 793 ALA N N 793 119.652 119.652 121.159 -1.507 25870 7321 1 11 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.235 0.619 25870 7322 1 11 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.347 0.555 25870 7323 1 11 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.811 -0.183 25870 7324 1 11 . 1 1 793 793 ALA H H 793 8.163 8.163 7.651 0.512 25870 7325 1 11 . 1 1 794 794 ARG N N 794 121.092 121.092 119.275 1.817 25870 7326 1 11 . 1 1 794 794 ARG HA H 794 3.910 3.910 4.000 -0.090 25870 7327 1 11 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.080 0.391 25870 7328 1 11 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.234 -0.142 25870 7329 1 11 . 1 1 794 794 ARG H H 794 8.034 8.034 7.660 0.374 25870 7330 1 11 . 1 1 795 795 ILE N N 795 121.394 121.394 120.309 1.085 25870 7331 1 11 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.731 -0.343 25870 7332 1 11 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.301 0.547 25870 7333 1 11 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.390 -0.181 25870 7334 1 11 . 1 1 795 795 ILE H H 795 8.049 8.049 8.141 -0.092 25870 7335 1 11 . 1 1 796 796 MET N N 796 119.012 119.012 118.422 0.590 25870 7336 1 11 . 1 1 796 796 MET HA H 796 4.155 4.155 3.971 0.184 25870 7337 1 11 . 1 1 796 796 MET CA C 796 56.470 56.470 58.264 -1.794 25870 7338 1 11 . 1 1 796 796 MET CB C 796 29.892 29.892 31.738 -1.846 25870 7339 1 11 . 1 1 796 796 MET H H 796 8.589 8.589 8.227 0.362 25870 7340 1 11 . 1 1 797 797 SER N N 797 114.132 114.132 112.437 1.695 25870 7341 1 11 . 1 1 797 797 SER HA H 797 4.097 4.097 4.333 -0.236 25870 7342 1 11 . 1 1 797 797 SER CA C 797 61.231 61.231 59.870 1.361 25870 7343 1 11 . 1 1 797 797 SER CB C 797 62.895 62.895 63.445 -0.550 25870 7344 1 11 . 1 1 797 797 SER H H 797 7.732 7.732 7.554 0.178 25870 7345 1 11 . 1 1 798 798 ILE N N 798 120.873 120.873 116.595 4.278 25870 7346 1 11 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.240 -0.422 25870 7347 1 11 . 1 1 798 798 ILE CA C 798 63.875 63.875 62.818 1.057 25870 7348 1 11 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.850 0.013 25870 7349 1 11 . 1 1 798 798 ILE H H 798 7.352 7.352 7.844 -0.492 25870 7350 1 11 . 1 1 799 799 VAL N N 799 110.552 110.552 114.133 -3.581 25870 7351 1 11 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.088 0.155 25870 7352 1 11 . 1 1 799 799 VAL CA C 799 62.616 62.616 61.365 1.251 25870 7353 1 11 . 1 1 799 799 VAL CB C 799 32.416 32.416 30.564 1.852 25870 7354 1 11 . 1 1 799 799 VAL H H 799 7.648 7.648 7.847 -0.199 25870 7355 1 11 . 1 1 800 800 ASP N N 800 119.435 119.435 117.705 1.730 25870 7356 1 11 . 1 1 800 800 ASP HA H 800 5.225 5.225 4.952 0.273 25870 7357 1 11 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.519 1.196 25870 7358 1 11 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.388 -0.302 25870 7359 1 11 . 1 1 800 800 ASP H H 800 8.074 8.074 7.827 0.247 25870 7360 1 11 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.348 -0.017 25870 7361 1 11 . 1 1 801 801 PRO CA C 801 64.819 64.819 64.307 0.512 25870 7362 1 11 . 1 1 801 801 PRO CB C 801 31.689 31.689 31.514 0.175 25870 7363 1 11 . 1 1 802 802 ASN N N 802 115.164 115.164 115.453 -0.289 25870 7364 1 11 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.754 0.006 25870 7365 1 11 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.815 0.183 25870 7366 1 11 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.553 -1.601 25870 7367 1 11 . 1 1 802 802 ASN H H 802 8.949 8.949 7.892 1.057 25870 7368 1 11 . 1 1 803 803 ARG N N 803 117.446 117.446 116.152 1.294 25870 7369 1 11 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.229 -0.399 25870 7370 1 11 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.773 0.115 25870 7371 1 11 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.107 -0.753 25870 7372 1 11 . 1 1 803 803 ARG H H 803 7.958 7.958 8.395 -0.437 25870 7373 1 11 . 1 1 804 804 LEU N N 804 123.307 123.307 116.773 6.534 25870 7374 1 11 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.653 -0.497 25870 7375 1 11 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.238 2.135 25870 7376 1 11 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.392 1.538 25870 7377 1 11 . 1 1 804 804 LEU H H 804 10.591 10.591 7.651 2.940 25870 7378 1 11 . 1 1 805 805 GLY N N 805 110.516 110.516 108.456 2.060 25870 7379 1 11 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.847 -0.903 25870 7380 1 11 . 1 1 805 805 GLY H H 805 11.001 11.001 8.446 2.555 25870 7381 1 11 . 1 1 806 806 VAL N N 806 109.840 109.840 114.042 -4.202 25870 7382 1 11 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.262 0.309 25870 7383 1 11 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.796 -1.230 25870 7384 1 11 . 1 1 806 806 VAL CB C 806 36.853 36.853 35.429 1.424 25870 7385 1 11 . 1 1 806 806 VAL H H 806 6.831 6.831 7.024 -0.193 25870 7386 1 11 . 1 1 807 807 VAL N N 807 122.184 122.184 122.054 0.130 25870 7387 1 11 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.471 -0.304 25870 7388 1 11 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.668 0.976 25870 7389 1 11 . 1 1 807 807 VAL CB C 807 32.383 32.383 30.979 1.404 25870 7390 1 11 . 1 1 807 807 VAL H H 807 9.007 9.007 8.891 0.116 25870 7391 1 11 . 1 1 808 808 THR N N 808 117.391 117.391 117.404 -0.013 25870 7392 1 11 . 1 1 808 808 THR HA H 808 4.593 4.593 4.590 0.003 25870 7393 1 11 . 1 1 808 808 THR CA C 808 60.615 60.615 58.936 1.679 25870 7394 1 11 . 1 1 808 808 THR CB C 808 70.695 70.695 71.449 -0.754 25870 7395 1 11 . 1 1 808 808 THR H H 808 7.925 7.925 7.424 0.501 25870 7396 1 11 . 1 1 809 809 PHE N N 809 122.236 122.236 118.940 3.296 25870 7397 1 11 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.477 -0.837 25870 7398 1 11 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.284 0.465 25870 7399 1 11 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.442 0.735 25870 7400 1 11 . 1 1 809 809 PHE H H 809 9.349 9.349 8.100 1.249 25870 7401 1 11 . 1 1 810 810 GLN N N 810 116.788 116.788 117.178 -0.390 25870 7402 1 11 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.191 -0.593 25870 7403 1 11 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.859 0.723 25870 7404 1 11 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.503 -0.304 25870 7405 1 11 . 1 1 810 810 GLN H H 810 8.572 8.572 7.901 0.671 25870 7406 1 11 . 1 1 811 811 ALA N N 811 121.208 121.208 121.972 -0.764 25870 7407 1 11 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.192 -0.073 25870 7408 1 11 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.811 1.100 25870 7409 1 11 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.869 0.396 25870 7410 1 11 . 1 1 811 811 ALA H H 811 7.667 7.667 7.649 0.018 25870 7411 1 11 . 1 1 812 812 PHE N N 812 119.805 119.805 118.852 0.953 25870 7412 1 11 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.360 -0.380 25870 7413 1 11 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.104 -0.364 25870 7414 1 11 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.635 1.035 25870 7415 1 11 . 1 1 812 812 PHE H H 812 8.400 8.400 8.393 0.007 25870 7416 1 11 . 1 1 813 813 ILE N N 813 118.098 118.098 118.773 -0.675 25870 7417 1 11 . 1 1 813 813 ILE HA H 813 3.146 3.146 4.007 -0.861 25870 7418 1 11 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.504 0.795 25870 7419 1 11 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.393 -0.191 25870 7420 1 11 . 1 1 813 813 ILE H H 813 8.364 8.364 7.907 0.457 25870 7421 1 11 . 1 1 814 814 ASP N N 814 123.528 123.528 120.572 2.956 25870 7422 1 11 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.371 -0.175 25870 7423 1 11 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.517 0.163 25870 7424 1 11 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.768 -0.532 25870 7425 1 11 . 1 1 814 814 ASP H H 814 8.221 8.221 7.911 0.310 25870 7426 1 11 . 1 1 815 815 PHE N N 815 120.584 120.584 119.759 0.825 25870 7427 1 11 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.456 -0.327 25870 7428 1 11 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.627 0.457 25870 7429 1 11 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.690 0.008 25870 7430 1 11 . 1 1 815 815 PHE H H 815 7.887 7.887 7.880 0.007 25870 7431 1 11 . 1 1 816 816 MET N N 816 116.960 116.960 118.411 -1.451 25870 7432 1 11 . 1 1 816 816 MET HA H 816 3.782 3.782 4.112 -0.330 25870 7433 1 11 . 1 1 816 816 MET CA C 816 55.662 55.662 56.879 -1.217 25870 7434 1 11 . 1 1 816 816 MET CB C 816 30.033 30.033 31.750 -1.717 25870 7435 1 11 . 1 1 816 816 MET H H 816 8.372 8.372 8.045 0.327 25870 7436 1 11 . 1 1 817 817 SER N N 817 114.277 114.277 112.940 1.337 25870 7437 1 11 . 1 1 817 817 SER HA H 817 4.194 4.194 4.350 -0.156 25870 7438 1 11 . 1 1 817 817 SER CA C 817 60.521 60.521 60.883 -0.362 25870 7439 1 11 . 1 1 817 817 SER CB C 817 63.185 63.185 63.593 -0.408 25870 7440 1 11 . 1 1 817 817 SER H H 817 8.074 8.074 8.377 -0.303 25870 7441 1 11 . 1 1 818 818 ARG N N 818 121.493 121.493 121.452 0.041 25870 7442 1 11 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.021 0.103 25870 7443 1 11 . 1 1 818 818 ARG CA C 818 57.684 57.684 57.913 -0.229 25870 7444 1 11 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.187 1.128 25870 7445 1 11 . 1 1 818 818 ARG H H 818 7.288 7.288 7.316 -0.028 25870 7446 1 11 . 1 1 819 819 GLU N N 819 119.737 119.737 118.469 1.268 25870 7447 1 11 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.071 0.030 25870 7448 1 11 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.864 -1.798 25870 7449 1 11 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.187 1.304 25870 7450 1 11 . 1 1 819 819 GLU H H 819 8.045 8.045 7.679 0.366 25870 7451 1 11 . 1 1 820 820 THR N N 820 112.128 112.128 109.422 2.706 25870 7452 1 11 . 1 1 820 820 THR HA H 820 4.280 4.280 2.905 1.375 25870 7453 1 11 . 1 1 820 820 THR CA C 820 62.055 62.055 62.493 -0.438 25870 7454 1 11 . 1 1 820 820 THR CB C 820 69.828 69.828 68.207 1.621 25870 7455 1 11 . 1 1 820 820 THR H H 820 7.760 7.760 7.271 0.489 25870 7456 1 11 . 1 1 821 821 ALA N N 821 126.098 126.098 123.446 2.652 25870 7457 1 11 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.285 -0.001 25870 7458 1 11 . 1 1 821 821 ALA CA C 821 52.726 52.726 51.093 1.633 25870 7459 1 11 . 1 1 821 821 ALA CB C 821 19.304 19.304 19.925 -0.621 25870 7460 1 11 . 1 1 821 821 ALA H H 821 7.957 7.957 7.223 0.734 25870 7461 1 11 . 1 1 822 822 ASP N N 822 119.904 119.904 117.482 2.422 25870 7462 1 11 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.877 -0.264 25870 7463 1 11 . 1 1 822 822 ASP CA C 822 54.335 54.335 53.645 0.690 25870 7464 1 11 . 1 1 822 822 ASP CB C 822 41.032 41.032 42.791 -1.759 25870 7465 1 11 . 1 1 822 822 ASP H H 822 8.352 8.352 8.325 0.027 25870 7466 1 11 . 1 1 823 823 THR N N 823 114.142 114.142 114.047 0.095 25870 7467 1 11 . 1 1 823 823 THR HA H 823 4.278 4.278 4.728 -0.450 25870 7468 1 11 . 1 1 823 823 THR CA C 823 62.117 62.117 61.338 0.779 25870 7469 1 11 . 1 1 823 823 THR CB C 823 69.584 69.584 72.382 -2.797 25870 7470 1 11 . 1 1 823 823 THR H H 823 8.079 8.079 8.282 -0.203 25870 7471 1 11 . 1 1 824 824 ASP N N 824 123.261 123.261 120.949 2.312 25870 7472 1 11 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.660 -0.003 25870 7473 1 11 . 1 1 824 824 ASP CA C 824 54.786 54.786 56.606 -1.820 25870 7474 1 11 . 1 1 824 824 ASP CB C 824 41.085 41.085 41.261 -0.176 25870 7475 1 11 . 1 1 824 824 ASP H H 824 8.431 8.431 8.863 -0.432 25870 7476 1 11 . 1 1 825 825 THR N N 825 114.932 114.932 114.053 0.879 25870 7477 1 11 . 1 1 825 825 THR HA H 825 4.161 4.161 4.146 0.015 25870 7478 1 11 . 1 1 825 825 THR CA C 825 63.109 63.109 65.051 -1.942 25870 7479 1 11 . 1 1 825 825 THR CB C 825 69.455 69.455 68.138 1.317 25870 7480 1 11 . 1 1 825 825 THR H H 825 8.155 8.155 8.627 -0.472 25870 7481 1 11 . 1 1 826 826 ALA N N 826 124.961 124.961 125.165 -0.204 25870 7482 1 11 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.018 0.142 25870 7483 1 11 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.463 -0.071 25870 7484 1 11 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.038 0.572 25870 7485 1 11 . 1 1 826 826 ALA H H 826 8.379 8.379 8.083 0.296 25870 7486 1 11 . 1 1 827 827 ASP N N 827 117.765 117.765 117.792 -0.027 25870 7487 1 11 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.306 0.119 25870 7488 1 11 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.169 -1.118 25870 7489 1 11 . 1 1 827 827 ASP CB C 827 40.559 40.559 41.032 -0.473 25870 7490 1 11 . 1 1 827 827 ASP H H 827 8.250 8.250 7.811 0.439 25870 7491 1 11 . 1 1 828 828 GLN N N 828 120.523 120.523 117.862 2.661 25870 7492 1 11 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.072 0.019 25870 7493 1 11 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.187 -0.373 25870 7494 1 11 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.984 -0.435 25870 7495 1 11 . 1 1 828 828 GLN H H 828 8.076 8.076 7.792 0.284 25870 7496 1 11 . 1 1 829 829 VAL N N 829 120.970 120.970 118.699 2.271 25870 7497 1 11 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.850 -0.325 25870 7498 1 11 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.232 0.962 25870 7499 1 11 . 1 1 829 829 VAL CB C 829 31.541 31.541 32.589 -1.048 25870 7500 1 11 . 1 1 829 829 VAL H H 829 8.051 8.051 7.294 0.757 25870 7501 1 11 . 1 1 830 830 MET N N 830 119.572 119.572 118.477 1.095 25870 7502 1 11 . 1 1 830 830 MET HA H 830 4.006 4.006 3.300 0.706 25870 7503 1 11 . 1 1 830 830 MET CA C 830 57.977 57.977 56.855 1.122 25870 7504 1 11 . 1 1 830 830 MET CB C 830 31.995 31.995 30.956 1.039 25870 7505 1 11 . 1 1 830 830 MET H H 830 8.110 8.110 8.319 -0.209 25870 7506 1 11 . 1 1 831 831 ALA N N 831 121.059 121.059 122.798 -1.739 25870 7507 1 11 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.950 0.095 25870 7508 1 11 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.378 0.123 25870 7509 1 11 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.753 0.314 25870 7510 1 11 . 1 1 831 831 ALA H H 831 7.836 7.836 7.844 -0.008 25870 7511 1 11 . 1 1 832 832 SER N N 832 114.256 114.256 115.702 -1.446 25870 7512 1 11 . 1 1 832 832 SER HA H 832 4.141 4.141 4.094 0.047 25870 7513 1 11 . 1 1 832 832 SER CA C 832 60.845 60.845 61.485 -0.640 25870 7514 1 11 . 1 1 832 832 SER CB C 832 62.613 62.613 62.785 -0.172 25870 7515 1 11 . 1 1 832 832 SER H H 832 7.714 7.714 7.631 0.083 25870 7516 1 11 . 1 1 833 833 PHE N N 833 121.847 121.847 120.122 1.725 25870 7517 1 11 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.116 -0.293 25870 7518 1 11 . 1 1 833 833 PHE CA C 833 58.627 58.627 58.973 -0.346 25870 7519 1 11 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.967 0.160 25870 7520 1 11 . 1 1 833 833 PHE H H 833 7.740 7.740 7.619 0.121 25870 7521 1 11 . 1 1 834 834 LYS N N 834 118.759 118.759 119.946 -1.187 25870 7522 1 11 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.779 -0.190 25870 7523 1 11 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.324 1.060 25870 7524 1 11 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.857 0.286 25870 7525 1 11 . 1 1 834 834 LYS H H 834 7.843 7.843 7.720 0.123 25870 7526 1 11 . 1 1 835 835 ILE N N 835 118.537 118.537 119.529 -0.992 25870 7527 1 11 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.801 -0.065 25870 7528 1 11 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.295 -0.581 25870 7529 1 11 . 1 1 835 835 ILE CB C 835 37.825 37.825 38.173 -0.348 25870 7530 1 11 . 1 1 835 835 ILE H H 835 7.315 7.315 7.378 -0.063 25870 7531 1 11 . 1 1 836 836 LEU N N 836 121.201 121.201 119.981 1.220 25870 7532 1 11 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.818 0.137 25870 7533 1 11 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.297 -0.223 25870 7534 1 11 . 1 1 836 836 LEU CB C 836 42.415 42.415 42.275 0.140 25870 7535 1 11 . 1 1 836 836 LEU H H 836 7.625 7.625 7.950 -0.325 25870 7536 1 11 . 1 1 837 837 ALA N N 837 119.184 119.184 118.108 1.076 25870 7537 1 11 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.922 -0.027 25870 7538 1 11 . 1 1 837 837 ALA CA C 837 53.301 53.301 54.054 -0.753 25870 7539 1 11 . 1 1 837 837 ALA CB C 837 19.338 19.338 18.951 0.387 25870 7540 1 11 . 1 1 837 837 ALA H H 837 8.099 8.099 7.783 0.316 25870 7541 1 11 . 1 1 838 838 GLY N N 838 107.030 107.030 106.759 0.271 25870 7542 1 11 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.654 0.264 25870 7543 1 11 . 1 1 838 838 GLY H H 838 7.676 7.676 8.124 -0.448 25870 7544 1 11 . 1 1 839 839 ASP N N 839 122.291 122.291 124.243 -1.952 25870 7545 1 11 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.874 -0.397 25870 7546 1 11 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.536 0.975 25870 7547 1 11 . 1 1 839 839 ASP CB C 839 40.181 40.181 42.415 -2.234 25870 7548 1 11 . 1 1 839 839 ASP H H 839 8.704 8.704 8.087 0.617 25870 7549 1 11 . 1 1 840 840 LYS N N 840 117.582 117.582 120.427 -2.845 25870 7550 1 11 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.324 -0.023 25870 7551 1 11 . 1 1 840 840 LYS CA C 840 55.780 55.780 56.102 -0.322 25870 7552 1 11 . 1 1 840 840 LYS CB C 840 33.710 33.710 32.776 0.934 25870 7553 1 11 . 1 1 840 840 LYS H H 840 7.583 7.583 7.510 0.073 25870 7554 1 11 . 1 1 841 841 ASN N N 841 116.678 116.678 116.658 0.020 25870 7555 1 11 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.580 0.031 25870 7556 1 11 . 1 1 841 841 ASN CA C 841 53.466 53.466 54.141 -0.675 25870 7557 1 11 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.075 0.080 25870 7558 1 11 . 1 1 841 841 ASN H H 841 8.693 8.693 8.986 -0.293 25870 7559 1 11 . 1 1 842 842 TYR N N 842 112.236 112.236 113.823 -1.587 25870 7560 1 11 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.833 0.153 25870 7561 1 11 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.376 -1.458 25870 7562 1 11 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.331 0.264 25870 7563 1 11 . 1 1 842 842 TYR H H 842 6.637 6.637 7.264 -0.627 25870 7564 1 11 . 1 1 843 843 ILE N N 843 115.475 115.475 121.478 -6.003 25870 7565 1 11 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.787 0.005 25870 7566 1 11 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.253 0.704 25870 7567 1 11 . 1 1 843 843 ILE CB C 843 43.009 43.009 43.014 -0.005 25870 7568 1 11 . 1 1 843 843 ILE H H 843 8.630 8.630 9.286 -0.656 25870 7569 1 11 . 1 1 844 844 THR N N 844 117.169 117.169 118.153 -0.984 25870 7570 1 11 . 1 1 844 844 THR HA H 844 5.370 5.370 5.243 0.127 25870 7571 1 11 . 1 1 844 844 THR CA C 844 60.177 60.177 60.163 0.014 25870 7572 1 11 . 1 1 844 844 THR CB C 844 71.088 71.088 70.673 0.415 25870 7573 1 11 . 1 1 844 844 THR H H 844 9.330 9.330 9.215 0.115 25870 7574 1 11 . 1 1 845 845 MET N N 845 119.860 119.860 120.384 -0.524 25870 7575 1 11 . 1 1 845 845 MET HA H 845 3.824 3.824 4.015 -0.191 25870 7576 1 11 . 1 1 845 845 MET CA C 845 60.321 60.321 60.587 -0.266 25870 7577 1 11 . 1 1 845 845 MET CB C 845 33.030 33.030 32.145 0.885 25870 7578 1 11 . 1 1 845 845 MET H H 845 8.556 8.556 8.651 -0.095 25870 7579 1 11 . 1 1 846 846 ASP N N 846 116.363 116.363 118.358 -1.995 25870 7580 1 11 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.396 -0.116 25870 7581 1 11 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.776 0.628 25870 7582 1 11 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.712 -0.127 25870 7583 1 11 . 1 1 846 846 ASP H H 846 8.377 8.377 8.659 -0.282 25870 7584 1 11 . 1 1 847 847 GLU N N 847 120.577 120.577 118.035 2.542 25870 7585 1 11 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.137 -0.283 25870 7586 1 11 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.730 0.927 25870 7587 1 11 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.061 -0.401 25870 7588 1 11 . 1 1 847 847 GLU H H 847 7.855 7.855 7.653 0.202 25870 7589 1 11 . 1 1 848 848 LEU N N 848 118.714 118.714 119.748 -1.034 25870 7590 1 11 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.075 -0.253 25870 7591 1 11 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.784 0.941 25870 7592 1 11 . 1 1 848 848 LEU CB C 848 42.457 42.457 41.933 0.524 25870 7593 1 11 . 1 1 848 848 LEU H H 848 7.849 7.849 7.632 0.217 25870 7594 1 11 . 1 1 849 849 ARG N N 849 113.972 113.972 115.494 -1.522 25870 7595 1 11 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.389 -0.465 25870 7596 1 11 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.630 0.965 25870 7597 1 11 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.745 0.354 25870 7598 1 11 . 1 1 849 849 ARG H H 849 8.053 8.053 8.029 0.024 25870 7599 1 11 . 1 1 850 850 ARG N N 850 118.178 118.178 119.015 -0.837 25870 7600 1 11 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.337 -0.144 25870 7601 1 11 . 1 1 850 850 ARG CA C 850 58.245 58.245 58.164 0.081 25870 7602 1 11 . 1 1 850 850 ARG CB C 850 31.120 31.120 30.831 0.289 25870 7603 1 11 . 1 1 850 850 ARG H H 850 7.743 7.743 7.584 0.159 25870 7604 1 11 . 1 1 851 851 GLU N N 851 115.518 115.518 119.030 -3.512 25870 7605 1 11 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.328 0.022 25870 7606 1 11 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.650 -0.764 25870 7607 1 11 . 1 1 851 851 GLU CB C 851 31.590 31.590 30.737 0.853 25870 7608 1 11 . 1 1 851 851 GLU H H 851 7.596 7.596 7.738 -0.142 25870 7609 1 11 . 1 1 852 852 LEU N N 852 119.148 119.148 122.644 -3.496 25870 7610 1 11 . 1 1 852 852 LEU HA H 852 4.894 4.894 4.940 -0.046 25870 7611 1 11 . 1 1 852 852 LEU CA C 852 52.174 52.174 50.929 1.245 25870 7612 1 11 . 1 1 852 852 LEU CB C 852 42.469 42.469 42.007 0.462 25870 7613 1 11 . 1 1 852 852 LEU H H 852 7.890 7.890 8.017 -0.127 25870 7614 1 11 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.548 -0.201 25870 7615 1 11 . 1 1 853 853 PRO CA C 853 65.119 65.119 63.783 1.336 25870 7616 1 11 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.661 0.970 25870 7617 1 11 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.537 -0.267 25870 7618 1 11 . 1 1 854 854 PRO CA C 854 66.336 66.336 62.283 4.053 25870 7619 1 11 . 1 1 854 854 PRO CB C 854 32.256 32.256 32.831 -0.575 25870 7620 1 11 . 1 1 855 855 ASP N N 855 114.865 114.865 118.182 -3.317 25870 7621 1 11 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.325 0.024 25870 7622 1 11 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.492 -0.579 25870 7623 1 11 . 1 1 855 855 ASP CB C 855 39.244 39.244 39.588 -0.344 25870 7624 1 11 . 1 1 855 855 ASP H H 855 8.801 8.801 8.884 -0.083 25870 7625 1 11 . 1 1 856 856 GLN N N 856 121.465 121.465 118.739 2.726 25870 7626 1 11 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.268 -0.069 25870 7627 1 11 . 1 1 856 856 GLN CA C 856 58.317 58.317 58.835 -0.518 25870 7628 1 11 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.111 1.136 25870 7629 1 11 . 1 1 856 856 GLN H H 856 7.472 7.472 8.116 -0.644 25870 7630 1 11 . 1 1 857 857 ALA N N 857 122.805 122.805 122.122 0.683 25870 7631 1 11 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.949 -0.150 25870 7632 1 11 . 1 1 857 857 ALA CA C 857 56.303 56.303 56.051 0.252 25870 7633 1 11 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.350 -0.406 25870 7634 1 11 . 1 1 857 857 ALA H H 857 8.882 8.882 8.246 0.636 25870 7635 1 11 . 1 1 858 858 GLU N N 858 114.094 114.094 118.861 -4.767 25870 7636 1 11 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.033 -0.009 25870 7637 1 11 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.691 -0.009 25870 7638 1 11 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.039 -0.400 25870 7639 1 11 . 1 1 858 858 GLU H H 858 8.155 8.155 7.746 0.409 25870 7640 1 11 . 1 1 859 859 TYR N N 859 120.665 120.665 122.258 -1.593 25870 7641 1 11 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.165 -0.081 25870 7642 1 11 . 1 1 859 859 TYR CA C 859 61.006 61.006 61.101 -0.095 25870 7643 1 11 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.118 0.569 25870 7644 1 11 . 1 1 859 859 TYR H H 859 7.708 7.708 8.425 -0.717 25870 7645 1 11 . 1 1 860 860 CYS N N 860 115.812 115.812 116.983 -1.171 25870 7646 1 11 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.332 0.826 25870 7647 1 11 . 1 1 860 860 CYS CA C 860 64.254 64.254 64.248 0.006 25870 7648 1 11 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.982 0.322 25870 7649 1 11 . 1 1 860 860 CYS H H 860 8.113 8.113 7.687 0.426 25870 7650 1 11 . 1 1 861 861 ILE N N 861 120.078 120.078 120.108 -0.030 25870 7651 1 11 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.598 -0.259 25870 7652 1 11 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.348 0.295 25870 7653 1 11 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.661 1.053 25870 7654 1 11 . 1 1 861 861 ILE H H 861 8.453 8.453 7.904 0.549 25870 7655 1 11 . 1 1 862 862 ALA N N 862 116.691 116.691 122.419 -5.728 25870 7656 1 11 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.069 0.140 25870 7657 1 11 . 1 1 862 862 ALA CA C 862 53.222 53.222 55.027 -1.805 25870 7658 1 11 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.806 0.196 25870 7659 1 11 . 1 1 862 862 ALA H H 862 7.307 7.307 8.206 -0.899 25870 7660 1 11 . 1 1 863 863 ARG N N 863 117.226 117.226 115.897 1.329 25870 7661 1 11 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.385 -0.111 25870 7662 1 11 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.787 -0.736 25870 7663 1 11 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.667 0.722 25870 7664 1 11 . 1 1 863 863 ARG H H 863 7.358 7.358 7.531 -0.173 25870 7665 1 11 . 1 1 864 864 MET N N 864 117.583 117.583 118.329 -0.746 25870 7666 1 11 . 1 1 864 864 MET HA H 864 4.561 4.561 4.457 0.104 25870 7667 1 11 . 1 1 864 864 MET CA C 864 54.927 54.927 55.656 -0.729 25870 7668 1 11 . 1 1 864 864 MET CB C 864 37.418 37.418 34.359 3.059 25870 7669 1 11 . 1 1 864 864 MET H H 864 7.153 7.153 7.410 -0.257 25870 7670 1 11 . 1 1 865 865 ALA N N 865 124.643 124.643 124.864 -0.221 25870 7671 1 11 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.736 -0.870 25870 7672 1 11 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.271 -0.077 25870 7673 1 11 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.448 0.199 25870 7674 1 11 . 1 1 865 865 ALA H H 865 8.557 8.557 8.139 0.418 25870 7675 1 11 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.503 -0.007 25870 7676 1 11 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.825 -0.101 25870 7677 1 11 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.425 1.555 25870 7678 1 11 . 1 1 867 867 TYR N N 867 122.461 122.461 125.887 -3.426 25870 7679 1 11 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.594 0.134 25870 7680 1 11 . 1 1 867 867 TYR CA C 867 57.096 57.096 56.161 0.935 25870 7681 1 11 . 1 1 867 867 TYR CB C 867 39.175 39.175 37.484 1.691 25870 7682 1 11 . 1 1 867 867 TYR H H 867 8.128 8.128 8.107 0.021 25870 7683 1 11 . 1 1 868 868 THR HA H 868 4.351 4.351 4.653 -0.302 25870 7684 1 11 . 1 1 868 868 THR CA C 868 60.271 60.271 59.756 0.515 25870 7685 1 11 . 1 1 868 868 THR CB C 868 68.737 68.737 71.884 -3.147 25870 7686 1 11 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.426 -0.512 25870 7687 1 11 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.455 -0.126 25870 7688 1 11 . 1 1 870 870 PRO CA C 870 64.697 64.697 64.021 0.676 25870 7689 1 11 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.220 -0.641 25870 7690 1 11 . 1 1 871 871 ASP N N 871 116.207 116.207 117.950 -1.743 25870 7691 1 11 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.696 -0.092 25870 7692 1 11 . 1 1 871 871 ASP CA C 871 52.749 52.749 54.266 -1.517 25870 7693 1 11 . 1 1 871 871 ASP CB C 871 38.929 38.929 41.009 -2.080 25870 7694 1 11 . 1 1 871 871 ASP H H 871 9.267 9.267 8.603 0.664 25870 7695 1 11 . 1 1 872 872 SER N N 872 112.349 112.349 114.872 -2.523 25870 7696 1 11 . 1 1 872 872 SER HA H 872 3.497 3.497 4.593 -1.096 25870 7697 1 11 . 1 1 872 872 SER CA C 872 59.065 59.065 57.051 2.014 25870 7698 1 11 . 1 1 872 872 SER CB C 872 63.125 63.125 64.386 -1.261 25870 7699 1 11 . 1 1 872 872 SER H H 872 7.487 7.487 7.436 0.051 25870 7700 1 11 . 1 1 873 873 VAL N N 873 113.567 113.567 114.108 -0.541 25870 7701 1 11 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.599 0.130 25870 7702 1 11 . 1 1 873 873 VAL CA C 873 58.044 58.044 57.982 0.062 25870 7703 1 11 . 1 1 873 873 VAL CB C 873 32.911 32.911 31.968 0.943 25870 7704 1 11 . 1 1 873 873 VAL H H 873 6.411 6.411 8.291 -1.880 25870 7705 1 11 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.456 -0.160 25870 7706 1 11 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.988 0.347 25870 7707 1 11 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.452 0.063 25870 7708 1 11 . 1 1 875 875 GLY N N 875 112.118 112.118 107.310 4.808 25870 7709 1 11 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.361 1.196 25870 7710 1 11 . 1 1 875 875 GLY H H 875 8.800 8.800 7.887 0.913 25870 7711 1 11 . 1 1 876 876 ALA N N 876 120.262 120.262 124.071 -3.809 25870 7712 1 11 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.561 -1.461 25870 7713 1 11 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.310 2.763 25870 7714 1 11 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.666 -1.158 25870 7715 1 11 . 1 1 876 876 ALA H H 876 7.762 7.762 7.649 0.113 25870 7716 1 11 . 1 1 877 877 LEU N N 877 125.695 125.695 121.099 4.596 25870 7717 1 11 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.128 -0.352 25870 7718 1 11 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.719 0.550 25870 7719 1 11 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.002 -2.203 25870 7720 1 11 . 1 1 877 877 LEU H H 877 9.595 9.595 9.346 0.249 25870 7721 1 11 . 1 1 878 878 ASP N N 878 119.823 119.823 121.481 -1.658 25870 7722 1 11 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.619 0.260 25870 7723 1 11 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.543 -0.546 25870 7724 1 11 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.655 -0.874 25870 7725 1 11 . 1 1 878 878 ASP H H 878 9.031 9.031 7.813 1.218 25870 7726 1 11 . 1 1 879 879 TYR N N 879 126.556 126.556 124.409 2.147 25870 7727 1 11 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.162 0.429 25870 7728 1 11 . 1 1 879 879 TYR CA C 879 59.396 59.396 60.004 -0.608 25870 7729 1 11 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.704 -0.383 25870 7730 1 11 . 1 1 879 879 TYR H H 879 7.456 7.456 8.076 -0.620 25870 7731 1 11 . 1 1 880 880 MET N N 880 119.958 119.958 113.402 6.556 25870 7732 1 11 . 1 1 880 880 MET HA H 880 4.605 4.605 4.792 -0.187 25870 7733 1 11 . 1 1 880 880 MET CA C 880 56.044 56.044 57.037 -0.993 25870 7734 1 11 . 1 1 880 880 MET CB C 880 30.101 30.101 33.322 -3.221 25870 7735 1 11 . 1 1 880 880 MET H H 880 7.627 7.627 7.373 0.254 25870 7736 1 11 . 1 1 881 881 SER N N 881 114.328 114.328 115.854 -1.526 25870 7737 1 11 . 1 1 881 881 SER HA H 881 4.471 4.471 4.670 -0.199 25870 7738 1 11 . 1 1 881 881 SER CA C 881 58.917 58.917 57.268 1.649 25870 7739 1 11 . 1 1 881 881 SER CB C 881 64.447 64.447 63.605 0.842 25870 7740 1 11 . 1 1 881 881 SER H H 881 7.726 7.726 8.130 -0.404 25870 7741 1 11 . 1 1 882 882 PHE N N 882 122.735 122.735 120.140 2.595 25870 7742 1 11 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.365 0.357 25870 7743 1 11 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.223 2.008 25870 7744 1 11 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.053 1.232 25870 7745 1 11 . 1 1 882 882 PHE H H 882 7.385 7.385 7.435 -0.050 25870 7746 1 11 . 1 1 883 883 SER N N 883 120.156 120.156 117.837 2.319 25870 7747 1 11 . 1 1 883 883 SER HA H 883 4.299 4.299 4.355 -0.056 25870 7748 1 11 . 1 1 883 883 SER CA C 883 57.280 57.280 58.846 -1.566 25870 7749 1 11 . 1 1 883 883 SER CB C 883 64.601 64.601 63.734 0.867 25870 7750 1 11 . 1 1 883 883 SER H H 883 7.472 7.472 8.127 -0.655 25870 7751 1 11 . 1 1 884 884 THR N N 884 110.683 110.683 118.957 -8.274 25870 7752 1 11 . 1 1 884 884 THR HA H 884 3.966 3.966 3.891 0.075 25870 7753 1 11 . 1 1 884 884 THR CA C 884 63.465 63.465 64.281 -0.816 25870 7754 1 11 . 1 1 884 884 THR CB C 884 68.899 68.899 68.782 0.117 25870 7755 1 11 . 1 1 884 884 THR H H 884 7.996 7.996 8.288 -0.292 25870 7756 1 11 . 1 1 885 885 ALA N N 885 125.456 125.456 122.287 3.169 25870 7757 1 11 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.485 -0.249 25870 7758 1 11 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.234 0.796 25870 7759 1 11 . 1 1 885 885 ALA CB C 885 19.225 19.225 18.831 0.395 25870 7760 1 11 . 1 1 885 885 ALA H H 885 7.905 7.905 8.270 -0.365 25870 7761 1 11 . 1 1 886 886 LEU N N 886 120.638 120.638 118.180 2.458 25870 7762 1 11 . 1 1 886 886 LEU HA H 886 4.002 4.002 3.811 0.191 25870 7763 1 11 . 1 1 886 886 LEU CA C 886 55.462 55.462 56.657 -1.194 25870 7764 1 11 . 1 1 886 886 LEU CB C 886 42.265 42.265 40.238 2.027 25870 7765 1 11 . 1 1 886 886 LEU H H 886 8.079 8.079 7.386 0.693 25870 7766 1 11 . 1 1 887 887 TYR N N 887 121.526 121.526 116.200 5.326 25870 7767 1 11 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.710 -0.354 25870 7768 1 11 . 1 1 887 887 TYR CA C 887 58.750 58.750 57.838 0.912 25870 7769 1 11 . 1 1 887 887 TYR CB C 887 38.569 38.569 37.126 1.443 25870 7770 1 11 . 1 1 887 887 TYR H H 887 8.267 8.267 7.699 0.568 25870 7771 1 11 . 1 1 888 888 GLY N N 888 112.379 112.379 107.379 5.000 25870 7772 1 11 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.804 0.285 25870 7773 1 11 . 1 1 888 888 GLY H H 888 8.087 8.087 7.762 0.325 25870 7774 1 11 . 1 1 889 889 GLU N N 889 120.255 120.255 120.283 -0.028 25870 7775 1 11 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.229 0.027 25870 7776 1 11 . 1 1 889 889 GLU CA C 889 56.445 56.445 57.187 -0.742 25870 7777 1 11 . 1 1 889 889 GLU CB C 889 30.393 30.393 29.924 0.469 25870 7778 1 11 . 1 1 889 889 GLU H H 889 7.994 7.994 7.749 0.245 25870 7779 1 11 . 1 1 890 890 SER N N 890 116.375 116.375 118.565 -2.190 25870 7780 1 11 . 1 1 890 890 SER HA H 890 4.415 4.415 4.919 -0.504 25870 7781 1 11 . 1 1 890 890 SER CA C 890 58.204 58.204 57.752 0.452 25870 7782 1 11 . 1 1 890 890 SER CB C 890 63.913 63.913 64.388 -0.475 25870 7783 1 11 . 1 1 890 890 SER H H 890 8.329 8.329 8.406 -0.077 25870 7784 1 11 . 1 1 891 891 ASP N N 891 123.017 123.017 119.613 3.404 25870 7785 1 11 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.964 -0.354 25870 7786 1 11 . 1 1 891 891 ASP CA C 891 54.371 54.371 53.536 0.835 25870 7787 1 11 . 1 1 891 891 ASP CB C 891 41.013 41.013 41.968 -0.955 25870 7788 1 11 . 1 1 891 891 ASP H H 891 8.394 8.394 8.280 0.114 25870 7789 1 12 . 1 1 742 742 SER HA H 742 4.525 4.525 4.084 0.441 25870 7790 1 12 . 1 1 742 742 SER CA C 742 58.148 58.148 59.844 -1.696 25870 7791 1 12 . 1 1 742 742 SER CB C 742 63.791 63.791 62.891 0.900 25870 7792 1 12 . 1 1 743 743 ILE N N 743 122.172 122.172 121.511 0.661 25870 7793 1 12 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.004 0.358 25870 7794 1 12 . 1 1 743 743 ILE CA C 743 60.421 60.421 62.283 -1.862 25870 7795 1 12 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.568 0.598 25870 7796 1 12 . 1 1 743 743 ILE H H 743 8.132 8.132 8.433 -0.301 25870 7797 1 12 . 1 1 744 744 SER N N 744 123.144 123.144 120.603 2.541 25870 7798 1 12 . 1 1 744 744 SER HA H 744 4.449 4.449 4.594 -0.145 25870 7799 1 12 . 1 1 744 744 SER CA C 744 57.463 57.463 56.795 0.668 25870 7800 1 12 . 1 1 744 744 SER CB C 744 65.219 65.219 64.937 0.282 25870 7801 1 12 . 1 1 744 744 SER H H 744 8.848 8.848 8.577 0.271 25870 7802 1 12 . 1 1 745 745 GLN N N 745 121.619 121.619 124.451 -2.832 25870 7803 1 12 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.111 -0.159 25870 7804 1 12 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.141 -0.373 25870 7805 1 12 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.692 -0.180 25870 7806 1 12 . 1 1 745 745 GLN H H 745 9.042 9.042 9.001 0.041 25870 7807 1 12 . 1 1 746 746 GLU N N 746 118.648 118.648 119.076 -0.428 25870 7808 1 12 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.167 -0.163 25870 7809 1 12 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.813 1.410 25870 7810 1 12 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.650 -0.796 25870 7811 1 12 . 1 1 746 746 GLU H H 746 8.721 8.721 7.723 0.998 25870 7812 1 12 . 1 1 747 747 GLN N N 747 120.463 120.463 119.875 0.588 25870 7813 1 12 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.138 -0.372 25870 7814 1 12 . 1 1 747 747 GLN CA C 747 58.306 58.306 59.030 -0.724 25870 7815 1 12 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.194 0.754 25870 7816 1 12 . 1 1 747 747 GLN H H 747 7.838 7.838 8.476 -0.638 25870 7817 1 12 . 1 1 748 748 MET N N 748 119.252 119.252 115.222 4.030 25870 7818 1 12 . 1 1 748 748 MET HA H 748 4.200 4.200 4.443 -0.243 25870 7819 1 12 . 1 1 748 748 MET CA C 748 58.096 58.096 59.208 -1.111 25870 7820 1 12 . 1 1 748 748 MET CB C 748 30.900 30.900 32.367 -1.467 25870 7821 1 12 . 1 1 748 748 MET H H 748 8.473 8.473 8.329 0.144 25870 7822 1 12 . 1 1 749 749 ASN N N 749 117.740 117.740 118.916 -1.176 25870 7823 1 12 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.508 -0.034 25870 7824 1 12 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.939 -0.144 25870 7825 1 12 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.697 -1.284 25870 7826 1 12 . 1 1 749 749 ASN H H 749 8.334 8.334 7.582 0.752 25870 7827 1 12 . 1 1 750 750 GLU N N 750 122.848 122.848 119.982 2.866 25870 7828 1 12 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.124 0.080 25870 7829 1 12 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.740 0.601 25870 7830 1 12 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.322 -0.138 25870 7831 1 12 . 1 1 750 750 GLU H H 750 7.838 7.838 8.350 -0.512 25870 7832 1 12 . 1 1 751 751 PHE N N 751 120.177 120.177 122.451 -2.274 25870 7833 1 12 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.353 0.668 25870 7834 1 12 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.688 -1.335 25870 7835 1 12 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.565 -1.768 25870 7836 1 12 . 1 1 751 751 PHE H H 751 8.785 8.785 8.464 0.321 25870 7837 1 12 . 1 1 752 752 ARG N N 752 120.528 120.528 120.133 0.395 25870 7838 1 12 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.957 0.203 25870 7839 1 12 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.312 1.392 25870 7840 1 12 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.660 1.308 25870 7841 1 12 . 1 1 752 752 ARG H H 752 9.016 9.016 8.146 0.870 25870 7842 1 12 . 1 1 753 753 ALA N N 753 121.112 121.112 122.443 -1.331 25870 7843 1 12 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.479 -0.234 25870 7844 1 12 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.578 0.753 25870 7845 1 12 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.831 -0.008 25870 7846 1 12 . 1 1 753 753 ALA H H 753 8.100 8.100 7.785 0.315 25870 7847 1 12 . 1 1 754 754 SER N N 754 115.589 115.589 115.080 0.509 25870 7848 1 12 . 1 1 754 754 SER HA H 754 4.452 4.452 4.191 0.261 25870 7849 1 12 . 1 1 754 754 SER CA C 754 62.675 62.675 59.729 2.946 25870 7850 1 12 . 1 1 754 754 SER CB C 754 63.359 63.359 62.629 0.730 25870 7851 1 12 . 1 1 754 754 SER H H 754 8.391 8.391 7.789 0.602 25870 7852 1 12 . 1 1 755 755 PHE N N 755 121.886 121.886 118.922 2.964 25870 7853 1 12 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.940 -0.298 25870 7854 1 12 . 1 1 755 755 PHE CA C 755 61.964 61.964 59.141 2.823 25870 7855 1 12 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.593 1.229 25870 7856 1 12 . 1 1 755 755 PHE H H 755 8.675 8.675 7.731 0.944 25870 7857 1 12 . 1 1 756 756 ASN N N 756 113.618 113.618 113.936 -0.318 25870 7858 1 12 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.037 0.390 25870 7859 1 12 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.835 2.776 25870 7860 1 12 . 1 1 756 756 ASN CB C 756 37.838 37.838 39.026 -1.188 25870 7861 1 12 . 1 1 756 756 ASN H H 756 8.593 8.593 7.501 1.092 25870 7862 1 12 . 1 1 757 757 HIS N N 757 119.679 119.679 121.541 -1.862 25870 7863 1 12 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.252 -0.173 25870 7864 1 12 . 1 1 757 757 HIS CA C 757 59.344 59.344 59.308 0.036 25870 7865 1 12 . 1 1 757 757 HIS CB C 757 29.889 29.889 29.913 -0.024 25870 7866 1 12 . 1 1 757 757 HIS H H 757 8.139 8.139 7.428 0.711 25870 7867 1 12 . 1 1 758 758 PHE N N 758 113.051 113.051 116.491 -3.440 25870 7868 1 12 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.367 -0.306 25870 7869 1 12 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.351 2.346 25870 7870 1 12 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.603 -1.868 25870 7871 1 12 . 1 1 758 758 PHE H H 758 7.585 7.585 7.467 0.118 25870 7872 1 12 . 1 1 759 759 ASP N N 759 120.916 120.916 121.375 -0.459 25870 7873 1 12 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.435 0.074 25870 7874 1 12 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.859 -2.688 25870 7875 1 12 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.520 -2.511 25870 7876 1 12 . 1 1 759 759 ASP H H 759 7.423 7.423 7.910 -0.487 25870 7877 1 12 . 1 1 760 760 ARG N N 760 124.819 124.819 125.406 -0.587 25870 7878 1 12 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.055 -0.287 25870 7879 1 12 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.704 -0.429 25870 7880 1 12 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.630 -0.381 25870 7881 1 12 . 1 1 760 760 ARG H H 760 7.781 7.781 8.268 -0.487 25870 7882 1 12 . 1 1 761 761 ASP N N 761 113.673 113.673 113.537 0.136 25870 7883 1 12 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.709 -0.226 25870 7884 1 12 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.421 -1.444 25870 7885 1 12 . 1 1 761 761 ASP CB C 761 39.522 39.522 40.653 -1.131 25870 7886 1 12 . 1 1 761 761 ASP H H 761 7.821 7.821 8.091 -0.270 25870 7887 1 12 . 1 1 762 762 HIS N N 762 114.966 114.966 116.827 -1.861 25870 7888 1 12 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.261 -0.100 25870 7889 1 12 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.931 -0.313 25870 7890 1 12 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.975 -2.595 25870 7891 1 12 . 1 1 762 762 HIS H H 762 7.744 7.744 7.853 -0.109 25870 7892 1 12 . 1 1 763 763 SER N N 763 115.077 115.077 113.869 1.208 25870 7893 1 12 . 1 1 763 763 SER HA H 763 4.336 4.336 4.362 -0.026 25870 7894 1 12 . 1 1 763 763 SER CA C 763 59.860 59.860 59.823 0.037 25870 7895 1 12 . 1 1 763 763 SER CB C 763 65.192 65.192 64.052 1.140 25870 7896 1 12 . 1 1 763 763 SER H H 763 8.726 8.726 8.739 -0.013 25870 7897 1 12 . 1 1 764 764 GLY N N 764 116.915 116.915 110.655 6.260 25870 7898 1 12 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.378 0.071 25870 7899 1 12 . 1 1 764 764 GLY H H 764 11.017 11.017 8.822 2.195 25870 7900 1 12 . 1 1 765 765 THR N N 765 107.334 107.334 109.979 -2.645 25870 7901 1 12 . 1 1 765 765 THR HA H 765 4.829 4.829 5.082 -0.253 25870 7902 1 12 . 1 1 765 765 THR CA C 765 58.759 58.759 60.188 -1.429 25870 7903 1 12 . 1 1 765 765 THR CB C 765 73.383 73.383 72.196 1.187 25870 7904 1 12 . 1 1 765 765 THR H H 765 7.693 7.693 8.040 -0.347 25870 7905 1 12 . 1 1 766 766 LEU N N 766 124.664 124.664 123.837 0.827 25870 7906 1 12 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.706 0.194 25870 7907 1 12 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.928 -1.589 25870 7908 1 12 . 1 1 766 766 LEU CB C 766 42.339 42.339 42.990 -0.651 25870 7909 1 12 . 1 1 766 766 LEU H H 766 9.209 9.209 8.700 0.509 25870 7910 1 12 . 1 1 767 767 GLY N N 767 112.024 112.024 111.910 0.114 25870 7911 1 12 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.851 0.272 25870 7912 1 12 . 1 1 767 767 GLY H H 767 8.910 8.910 8.322 0.588 25870 7913 1 12 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.551 -0.233 25870 7914 1 12 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.246 0.881 25870 7915 1 12 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.088 -0.059 25870 7916 1 12 . 1 1 769 769 GLU N N 769 115.246 115.246 118.207 -2.961 25870 7917 1 12 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.004 -0.033 25870 7918 1 12 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.816 0.805 25870 7919 1 12 . 1 1 769 769 GLU CB C 769 28.628 28.628 28.918 -0.290 25870 7920 1 12 . 1 1 769 769 GLU H H 769 8.622 8.622 8.989 -0.367 25870 7921 1 12 . 1 1 770 770 GLU N N 770 121.127 121.127 118.625 2.502 25870 7922 1 12 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.248 0.024 25870 7923 1 12 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.376 0.121 25870 7924 1 12 . 1 1 770 770 GLU CB C 770 31.372 31.372 30.023 1.349 25870 7925 1 12 . 1 1 770 770 GLU H H 770 7.493 7.493 7.894 -0.401 25870 7926 1 12 . 1 1 771 771 PHE N N 771 117.688 117.688 122.140 -4.452 25870 7927 1 12 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.281 0.074 25870 7928 1 12 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.590 -1.965 25870 7929 1 12 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.477 -0.667 25870 7930 1 12 . 1 1 771 771 PHE H H 771 9.110 9.110 8.944 0.166 25870 7931 1 12 . 1 1 772 772 LYS N N 772 119.789 119.789 118.487 1.302 25870 7932 1 12 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.647 -0.334 25870 7933 1 12 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.266 2.406 25870 7934 1 12 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.830 1.149 25870 7935 1 12 . 1 1 772 772 LYS H H 772 8.594 8.594 8.040 0.554 25870 7936 1 12 . 1 1 773 773 ALA N N 773 118.461 118.461 120.724 -2.263 25870 7937 1 12 . 1 1 773 773 ALA HA H 773 3.881 3.881 3.992 -0.111 25870 7938 1 12 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.671 1.342 25870 7939 1 12 . 1 1 773 773 ALA CB C 773 17.629 17.629 19.032 -1.403 25870 7940 1 12 . 1 1 773 773 ALA H H 773 7.231 7.231 7.399 -0.168 25870 7941 1 12 . 1 1 774 774 CYS N N 774 120.913 120.913 118.945 1.968 25870 7942 1 12 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.755 -0.320 25870 7943 1 12 . 1 1 774 774 CYS CA C 774 61.174 61.174 62.130 -0.957 25870 7944 1 12 . 1 1 774 774 CYS CB C 774 26.215 26.215 27.575 -1.360 25870 7945 1 12 . 1 1 774 774 CYS H H 774 7.498 7.498 7.575 -0.077 25870 7946 1 12 . 1 1 775 775 LEU N N 775 119.201 119.201 118.611 0.590 25870 7947 1 12 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.554 0.212 25870 7948 1 12 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.412 1.520 25870 7949 1 12 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.139 -0.189 25870 7950 1 12 . 1 1 775 775 LEU H H 775 8.372 8.372 7.535 0.837 25870 7951 1 12 . 1 1 776 776 ILE N N 776 121.051 121.051 118.422 2.629 25870 7952 1 12 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.483 1.607 25870 7953 1 12 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.230 1.014 25870 7954 1 12 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.161 0.830 25870 7955 1 12 . 1 1 776 776 ILE H H 776 8.358 8.358 6.674 1.684 25870 7956 1 12 . 1 1 777 777 SER N N 777 119.109 119.109 114.424 4.685 25870 7957 1 12 . 1 1 777 777 SER HA H 777 4.291 4.291 4.213 0.078 25870 7958 1 12 . 1 1 777 777 SER CA C 777 61.725 61.725 60.921 0.804 25870 7959 1 12 . 1 1 777 777 SER CB C 777 62.995 62.995 63.077 -0.082 25870 7960 1 12 . 1 1 777 777 SER H H 777 7.822 7.822 7.516 0.306 25870 7961 1 12 . 1 1 778 778 LEU N N 778 121.208 121.208 116.717 4.491 25870 7962 1 12 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.310 0.196 25870 7963 1 12 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.932 1.067 25870 7964 1 12 . 1 1 778 778 LEU CB C 778 42.670 42.670 41.934 0.736 25870 7965 1 12 . 1 1 778 778 LEU H H 778 7.671 7.671 7.070 0.601 25870 7966 1 12 . 1 1 779 779 GLY N N 779 106.232 106.232 106.470 -0.238 25870 7967 1 12 . 1 1 779 779 GLY CA C 779 45.287 45.287 44.943 0.344 25870 7968 1 12 . 1 1 779 779 GLY H H 779 7.897 7.897 7.288 0.609 25870 7969 1 12 . 1 1 780 780 TYR N N 780 120.772 120.772 119.553 1.219 25870 7970 1 12 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.639 -0.497 25870 7971 1 12 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.290 3.941 25870 7972 1 12 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.552 -0.211 25870 7973 1 12 . 1 1 780 780 TYR H H 780 8.072 8.072 7.579 0.493 25870 7974 1 12 . 1 1 781 781 ASP N N 781 124.304 124.304 117.900 6.404 25870 7975 1 12 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.654 0.011 25870 7976 1 12 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.970 -0.822 25870 7977 1 12 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.555 -0.751 25870 7978 1 12 . 1 1 781 781 ASP H H 781 8.862 8.862 9.061 -0.199 25870 7979 1 12 . 1 1 782 782 ILE N N 782 122.271 122.271 113.011 9.260 25870 7980 1 12 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.496 -0.155 25870 7981 1 12 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.056 -0.064 25870 7982 1 12 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.458 -2.550 25870 7983 1 12 . 1 1 782 782 ILE H H 782 7.344 7.344 6.907 0.437 25870 7984 1 12 . 1 1 783 783 GLY N N 783 112.322 112.322 106.230 6.092 25870 7985 1 12 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.223 0.300 25870 7986 1 12 . 1 1 783 783 GLY H H 783 8.122 8.122 8.234 -0.112 25870 7987 1 12 . 1 1 784 784 ASN N N 784 118.727 118.727 117.385 1.342 25870 7988 1 12 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.753 0.129 25870 7989 1 12 . 1 1 784 784 ASN CA C 784 52.098 52.098 52.801 -0.703 25870 7990 1 12 . 1 1 784 784 ASN CB C 784 37.424 37.424 39.103 -1.679 25870 7991 1 12 . 1 1 784 784 ASN H H 784 8.452 8.452 8.557 -0.105 25870 7992 1 12 . 1 1 785 785 ASP N N 785 119.826 119.826 119.225 0.601 25870 7993 1 12 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.729 0.049 25870 7994 1 12 . 1 1 785 785 ASP CA C 785 52.164 52.164 52.519 -0.355 25870 7995 1 12 . 1 1 785 785 ASP CB C 785 39.657 39.657 40.930 -1.273 25870 7996 1 12 . 1 1 785 785 ASP H H 785 8.145 8.145 7.908 0.237 25870 7997 1 12 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.329 -0.058 25870 7998 1 12 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.371 0.894 25870 7999 1 12 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.170 -0.159 25870 8000 1 12 . 1 1 787 787 GLN N N 787 118.097 118.097 117.271 0.826 25870 8001 1 12 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.099 0.042 25870 8002 1 12 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.630 0.485 25870 8003 1 12 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.194 -0.462 25870 8004 1 12 . 1 1 787 787 GLN H H 787 8.409 8.409 8.618 -0.209 25870 8005 1 12 . 1 1 788 788 GLY N N 788 113.421 113.421 107.367 6.054 25870 8006 1 12 . 1 1 788 788 GLY CA C 788 47.317 47.317 45.964 1.353 25870 8007 1 12 . 1 1 788 788 GLY H H 788 8.644 8.644 7.633 1.011 25870 8008 1 12 . 1 1 789 789 GLU N N 789 121.223 121.223 122.596 -1.373 25870 8009 1 12 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.258 -0.110 25870 8010 1 12 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.490 -0.146 25870 8011 1 12 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.672 -0.237 25870 8012 1 12 . 1 1 789 789 GLU H H 789 8.514 8.514 8.710 -0.196 25870 8013 1 12 . 1 1 790 790 ALA N N 790 122.879 122.879 122.173 0.706 25870 8014 1 12 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.140 0.107 25870 8015 1 12 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.322 -0.415 25870 8016 1 12 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.237 -0.457 25870 8017 1 12 . 1 1 790 790 ALA H H 790 8.024 8.024 7.673 0.351 25870 8018 1 12 . 1 1 791 791 GLU N N 791 122.622 122.622 118.772 3.850 25870 8019 1 12 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.146 0.541 25870 8020 1 12 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.358 -0.224 25870 8021 1 12 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.486 -0.425 25870 8022 1 12 . 1 1 791 791 GLU H H 791 8.280 8.280 7.699 0.581 25870 8023 1 12 . 1 1 792 792 PHE N N 792 119.949 119.949 121.623 -1.674 25870 8024 1 12 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.229 -0.191 25870 8025 1 12 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.165 0.647 25870 8026 1 12 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.505 0.093 25870 8027 1 12 . 1 1 792 792 PHE H H 792 8.722 8.722 8.780 -0.058 25870 8028 1 12 . 1 1 793 793 ALA N N 793 119.652 119.652 121.486 -1.834 25870 8029 1 12 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.302 0.552 25870 8030 1 12 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.397 0.505 25870 8031 1 12 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.825 -0.196 25870 8032 1 12 . 1 1 793 793 ALA H H 793 8.163 8.163 8.119 0.044 25870 8033 1 12 . 1 1 794 794 ARG N N 794 121.092 121.092 119.376 1.716 25870 8034 1 12 . 1 1 794 794 ARG HA H 794 3.910 3.910 4.005 -0.095 25870 8035 1 12 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.081 0.390 25870 8036 1 12 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.205 -0.113 25870 8037 1 12 . 1 1 794 794 ARG H H 794 8.034 8.034 7.554 0.480 25870 8038 1 12 . 1 1 795 795 ILE N N 795 121.394 121.394 120.457 0.937 25870 8039 1 12 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.722 -0.334 25870 8040 1 12 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.337 0.511 25870 8041 1 12 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.343 -0.134 25870 8042 1 12 . 1 1 795 795 ILE H H 795 8.049 8.049 8.199 -0.150 25870 8043 1 12 . 1 1 796 796 MET N N 796 119.012 119.012 118.260 0.752 25870 8044 1 12 . 1 1 796 796 MET HA H 796 4.155 4.155 3.946 0.209 25870 8045 1 12 . 1 1 796 796 MET CA C 796 56.470 56.470 58.519 -2.049 25870 8046 1 12 . 1 1 796 796 MET CB C 796 29.892 29.892 31.801 -1.909 25870 8047 1 12 . 1 1 796 796 MET H H 796 8.589 8.589 8.160 0.429 25870 8048 1 12 . 1 1 797 797 SER N N 797 114.132 114.132 112.780 1.352 25870 8049 1 12 . 1 1 797 797 SER HA H 797 4.097 4.097 4.296 -0.199 25870 8050 1 12 . 1 1 797 797 SER CA C 797 61.231 61.231 59.821 1.410 25870 8051 1 12 . 1 1 797 797 SER CB C 797 62.895 62.895 63.449 -0.554 25870 8052 1 12 . 1 1 797 797 SER H H 797 7.732 7.732 7.498 0.234 25870 8053 1 12 . 1 1 798 798 ILE N N 798 120.873 120.873 116.318 4.555 25870 8054 1 12 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.173 -0.355 25870 8055 1 12 . 1 1 798 798 ILE CA C 798 63.875 63.875 62.975 0.900 25870 8056 1 12 . 1 1 798 798 ILE CB C 798 38.863 38.863 39.060 -0.197 25870 8057 1 12 . 1 1 798 798 ILE H H 798 7.352 7.352 7.678 -0.326 25870 8058 1 12 . 1 1 799 799 VAL N N 799 110.552 110.552 112.569 -2.017 25870 8059 1 12 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.068 0.175 25870 8060 1 12 . 1 1 799 799 VAL CA C 799 62.616 62.616 61.200 1.416 25870 8061 1 12 . 1 1 799 799 VAL CB C 799 32.416 32.416 31.340 1.076 25870 8062 1 12 . 1 1 799 799 VAL H H 799 7.648 7.648 7.790 -0.142 25870 8063 1 12 . 1 1 800 800 ASP N N 800 119.435 119.435 120.008 -0.573 25870 8064 1 12 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.047 0.178 25870 8065 1 12 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.185 1.530 25870 8066 1 12 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.959 -0.874 25870 8067 1 12 . 1 1 800 800 ASP H H 800 8.074 8.074 7.494 0.580 25870 8068 1 12 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.436 -0.105 25870 8069 1 12 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.958 0.861 25870 8070 1 12 . 1 1 801 801 PRO CB C 801 31.689 31.689 31.977 -0.288 25870 8071 1 12 . 1 1 802 802 ASN N N 802 115.164 115.164 115.940 -0.776 25870 8072 1 12 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.783 -0.023 25870 8073 1 12 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.967 0.031 25870 8074 1 12 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.927 -1.975 25870 8075 1 12 . 1 1 802 802 ASN H H 802 8.949 8.949 7.743 1.206 25870 8076 1 12 . 1 1 803 803 ARG N N 803 117.446 117.446 116.697 0.749 25870 8077 1 12 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.146 -0.316 25870 8078 1 12 . 1 1 803 803 ARG CA C 803 56.888 56.888 57.002 -0.113 25870 8079 1 12 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.544 -1.190 25870 8080 1 12 . 1 1 803 803 ARG H H 803 7.958 7.958 7.860 0.098 25870 8081 1 12 . 1 1 804 804 LEU N N 804 123.307 123.307 117.273 6.034 25870 8082 1 12 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.627 -0.471 25870 8083 1 12 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.687 1.686 25870 8084 1 12 . 1 1 804 804 LEU CB C 804 42.930 42.930 42.146 0.784 25870 8085 1 12 . 1 1 804 804 LEU H H 804 10.591 10.591 7.856 2.735 25870 8086 1 12 . 1 1 805 805 GLY N N 805 110.516 110.516 107.655 2.861 25870 8087 1 12 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.518 -0.574 25870 8088 1 12 . 1 1 805 805 GLY H H 805 11.001 11.001 9.030 1.971 25870 8089 1 12 . 1 1 806 806 VAL N N 806 109.840 109.840 114.747 -4.907 25870 8090 1 12 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.263 0.308 25870 8091 1 12 . 1 1 806 806 VAL CA C 806 58.566 58.566 60.092 -1.526 25870 8092 1 12 . 1 1 806 806 VAL CB C 806 36.853 36.853 35.403 1.450 25870 8093 1 12 . 1 1 806 806 VAL H H 806 6.831 6.831 7.044 -0.213 25870 8094 1 12 . 1 1 807 807 VAL N N 807 122.184 122.184 121.700 0.484 25870 8095 1 12 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.250 -0.083 25870 8096 1 12 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.609 1.035 25870 8097 1 12 . 1 1 807 807 VAL CB C 807 32.383 32.383 31.108 1.275 25870 8098 1 12 . 1 1 807 807 VAL H H 807 9.007 9.007 8.826 0.181 25870 8099 1 12 . 1 1 808 808 THR N N 808 117.391 117.391 117.347 0.044 25870 8100 1 12 . 1 1 808 808 THR HA H 808 4.593 4.593 4.607 -0.014 25870 8101 1 12 . 1 1 808 808 THR CA C 808 60.615 60.615 58.502 2.113 25870 8102 1 12 . 1 1 808 808 THR CB C 808 70.695 70.695 70.910 -0.215 25870 8103 1 12 . 1 1 808 808 THR H H 808 7.925 7.925 7.463 0.462 25870 8104 1 12 . 1 1 809 809 PHE N N 809 122.236 122.236 119.539 2.697 25870 8105 1 12 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.459 -0.819 25870 8106 1 12 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.147 0.603 25870 8107 1 12 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.594 0.583 25870 8108 1 12 . 1 1 809 809 PHE H H 809 9.349 9.349 8.031 1.318 25870 8109 1 12 . 1 1 810 810 GLN N N 810 116.788 116.788 116.310 0.478 25870 8110 1 12 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.209 -0.611 25870 8111 1 12 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.722 0.860 25870 8112 1 12 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.610 -0.411 25870 8113 1 12 . 1 1 810 810 GLN H H 810 8.572 8.572 7.848 0.724 25870 8114 1 12 . 1 1 811 811 ALA N N 811 121.208 121.208 121.778 -0.570 25870 8115 1 12 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.237 -0.118 25870 8116 1 12 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.662 1.249 25870 8117 1 12 . 1 1 811 811 ALA CB C 811 19.265 19.265 19.102 0.163 25870 8118 1 12 . 1 1 811 811 ALA H H 811 7.667 7.667 7.717 -0.050 25870 8119 1 12 . 1 1 812 812 PHE N N 812 119.805 119.805 118.861 0.944 25870 8120 1 12 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.369 -0.389 25870 8121 1 12 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.088 -0.348 25870 8122 1 12 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.679 0.991 25870 8123 1 12 . 1 1 812 812 PHE H H 812 8.400 8.400 8.327 0.073 25870 8124 1 12 . 1 1 813 813 ILE N N 813 118.098 118.098 118.924 -0.826 25870 8125 1 12 . 1 1 813 813 ILE HA H 813 3.146 3.146 3.973 -0.827 25870 8126 1 12 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.317 0.982 25870 8127 1 12 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.464 -0.262 25870 8128 1 12 . 1 1 813 813 ILE H H 813 8.364 8.364 7.984 0.380 25870 8129 1 12 . 1 1 814 814 ASP N N 814 123.528 123.528 120.443 3.085 25870 8130 1 12 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.355 -0.159 25870 8131 1 12 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.859 -0.179 25870 8132 1 12 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.880 -0.644 25870 8133 1 12 . 1 1 814 814 ASP H H 814 8.221 8.221 7.903 0.318 25870 8134 1 12 . 1 1 815 815 PHE N N 815 120.584 120.584 119.533 1.051 25870 8135 1 12 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.424 -0.295 25870 8136 1 12 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.618 0.466 25870 8137 1 12 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.665 0.033 25870 8138 1 12 . 1 1 815 815 PHE H H 815 7.887 7.887 7.855 0.032 25870 8139 1 12 . 1 1 816 816 MET N N 816 116.960 116.960 118.465 -1.505 25870 8140 1 12 . 1 1 816 816 MET HA H 816 3.782 3.782 4.045 -0.263 25870 8141 1 12 . 1 1 816 816 MET CA C 816 55.662 55.662 57.411 -1.750 25870 8142 1 12 . 1 1 816 816 MET CB C 816 30.033 30.033 31.734 -1.701 25870 8143 1 12 . 1 1 816 816 MET H H 816 8.372 8.372 8.052 0.320 25870 8144 1 12 . 1 1 817 817 SER N N 817 114.277 114.277 112.105 2.172 25870 8145 1 12 . 1 1 817 817 SER HA H 817 4.194 4.194 4.363 -0.169 25870 8146 1 12 . 1 1 817 817 SER CA C 817 60.521 60.521 60.141 0.380 25870 8147 1 12 . 1 1 817 817 SER CB C 817 63.185 63.185 63.465 -0.280 25870 8148 1 12 . 1 1 817 817 SER H H 817 8.074 8.074 8.334 -0.260 25870 8149 1 12 . 1 1 818 818 ARG N N 818 121.493 121.493 121.344 0.149 25870 8150 1 12 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.127 -0.003 25870 8151 1 12 . 1 1 818 818 ARG CA C 818 57.684 57.684 57.321 0.363 25870 8152 1 12 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.565 0.750 25870 8153 1 12 . 1 1 818 818 ARG H H 818 7.288 7.288 7.819 -0.531 25870 8154 1 12 . 1 1 819 819 GLU N N 819 119.737 119.737 117.802 1.935 25870 8155 1 12 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.067 0.034 25870 8156 1 12 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.403 -1.337 25870 8157 1 12 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.190 1.301 25870 8158 1 12 . 1 1 819 819 GLU H H 819 8.045 8.045 7.566 0.479 25870 8159 1 12 . 1 1 820 820 THR N N 820 112.128 112.128 110.989 1.139 25870 8160 1 12 . 1 1 820 820 THR HA H 820 4.280 4.280 3.898 0.382 25870 8161 1 12 . 1 1 820 820 THR CA C 820 62.055 62.055 62.776 -0.721 25870 8162 1 12 . 1 1 820 820 THR CB C 820 69.828 69.828 68.855 0.973 25870 8163 1 12 . 1 1 820 820 THR H H 820 7.760 7.760 7.363 0.397 25870 8164 1 12 . 1 1 821 821 ALA N N 821 126.098 126.098 123.191 2.907 25870 8165 1 12 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.451 -0.167 25870 8166 1 12 . 1 1 821 821 ALA CA C 821 52.726 52.726 50.300 2.426 25870 8167 1 12 . 1 1 821 821 ALA CB C 821 19.304 19.304 21.031 -1.727 25870 8168 1 12 . 1 1 821 821 ALA H H 821 7.957 7.957 7.012 0.945 25870 8169 1 12 . 1 1 822 822 ASP N N 822 119.904 119.904 119.670 0.234 25870 8170 1 12 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.690 -0.077 25870 8171 1 12 . 1 1 822 822 ASP CA C 822 54.335 54.335 54.126 0.209 25870 8172 1 12 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.948 -0.916 25870 8173 1 12 . 1 1 822 822 ASP H H 822 8.352 8.352 8.427 -0.075 25870 8174 1 12 . 1 1 823 823 THR N N 823 114.142 114.142 112.966 1.176 25870 8175 1 12 . 1 1 823 823 THR HA H 823 4.278 4.278 4.577 -0.299 25870 8176 1 12 . 1 1 823 823 THR CA C 823 62.117 62.117 61.118 0.999 25870 8177 1 12 . 1 1 823 823 THR CB C 823 69.584 69.584 72.317 -2.733 25870 8178 1 12 . 1 1 823 823 THR H H 823 8.079 8.079 8.378 -0.299 25870 8179 1 12 . 1 1 824 824 ASP N N 824 123.261 123.261 123.250 0.011 25870 8180 1 12 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.575 0.082 25870 8181 1 12 . 1 1 824 824 ASP CA C 824 54.786 54.786 57.215 -2.429 25870 8182 1 12 . 1 1 824 824 ASP CB C 824 41.085 41.085 40.819 0.266 25870 8183 1 12 . 1 1 824 824 ASP H H 824 8.431 8.431 8.978 -0.547 25870 8184 1 12 . 1 1 825 825 THR N N 825 114.932 114.932 111.691 3.241 25870 8185 1 12 . 1 1 825 825 THR HA H 825 4.161 4.161 4.328 -0.167 25870 8186 1 12 . 1 1 825 825 THR CA C 825 63.109 63.109 63.919 -0.810 25870 8187 1 12 . 1 1 825 825 THR CB C 825 69.455 69.455 68.472 0.983 25870 8188 1 12 . 1 1 825 825 THR H H 825 8.155 8.155 8.396 -0.241 25870 8189 1 12 . 1 1 826 826 ALA N N 826 124.961 124.961 124.418 0.543 25870 8190 1 12 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.065 0.095 25870 8191 1 12 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.674 -0.282 25870 8192 1 12 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.396 0.214 25870 8193 1 12 . 1 1 826 826 ALA H H 826 8.379 8.379 7.574 0.805 25870 8194 1 12 . 1 1 827 827 ASP N N 827 117.765 117.765 117.589 0.176 25870 8195 1 12 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.380 0.045 25870 8196 1 12 . 1 1 827 827 ASP CA C 827 56.051 56.051 56.967 -0.916 25870 8197 1 12 . 1 1 827 827 ASP CB C 827 40.559 40.559 40.957 -0.398 25870 8198 1 12 . 1 1 827 827 ASP H H 827 8.250 8.250 7.982 0.268 25870 8199 1 12 . 1 1 828 828 GLN N N 828 120.523 120.523 117.693 2.830 25870 8200 1 12 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.129 -0.038 25870 8201 1 12 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.141 -0.327 25870 8202 1 12 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.973 -0.424 25870 8203 1 12 . 1 1 828 828 GLN H H 828 8.076 8.076 7.842 0.234 25870 8204 1 12 . 1 1 829 829 VAL N N 829 120.970 120.970 121.007 -0.037 25870 8205 1 12 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.766 -0.241 25870 8206 1 12 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.575 0.619 25870 8207 1 12 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.698 -0.157 25870 8208 1 12 . 1 1 829 829 VAL H H 829 8.051 8.051 7.269 0.782 25870 8209 1 12 . 1 1 830 830 MET N N 830 119.572 119.572 117.629 1.943 25870 8210 1 12 . 1 1 830 830 MET HA H 830 4.006 4.006 3.199 0.807 25870 8211 1 12 . 1 1 830 830 MET CA C 830 57.977 57.977 57.093 0.884 25870 8212 1 12 . 1 1 830 830 MET CB C 830 31.995 31.995 31.461 0.534 25870 8213 1 12 . 1 1 830 830 MET H H 830 8.110 8.110 8.067 0.043 25870 8214 1 12 . 1 1 831 831 ALA N N 831 121.059 121.059 122.716 -1.657 25870 8215 1 12 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.956 0.089 25870 8216 1 12 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.249 0.252 25870 8217 1 12 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.977 0.090 25870 8218 1 12 . 1 1 831 831 ALA H H 831 7.836 7.836 7.401 0.435 25870 8219 1 12 . 1 1 832 832 SER N N 832 114.256 114.256 115.348 -1.092 25870 8220 1 12 . 1 1 832 832 SER HA H 832 4.141 4.141 4.066 0.075 25870 8221 1 12 . 1 1 832 832 SER CA C 832 60.845 60.845 61.145 -0.300 25870 8222 1 12 . 1 1 832 832 SER CB C 832 62.613 62.613 62.896 -0.283 25870 8223 1 12 . 1 1 832 832 SER H H 832 7.714 7.714 7.564 0.150 25870 8224 1 12 . 1 1 833 833 PHE N N 833 121.847 121.847 120.636 1.211 25870 8225 1 12 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.248 -0.425 25870 8226 1 12 . 1 1 833 833 PHE CA C 833 58.627 58.627 57.717 0.910 25870 8227 1 12 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.755 0.372 25870 8228 1 12 . 1 1 833 833 PHE H H 833 7.740 7.740 7.438 0.302 25870 8229 1 12 . 1 1 834 834 LYS N N 834 118.759 118.759 120.453 -1.694 25870 8230 1 12 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.511 0.078 25870 8231 1 12 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.533 0.850 25870 8232 1 12 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.779 0.364 25870 8233 1 12 . 1 1 834 834 LYS H H 834 7.843 7.843 7.704 0.139 25870 8234 1 12 . 1 1 835 835 ILE N N 835 118.537 118.537 119.534 -0.997 25870 8235 1 12 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.732 0.004 25870 8236 1 12 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.539 -0.825 25870 8237 1 12 . 1 1 835 835 ILE CB C 835 37.825 37.825 37.855 -0.030 25870 8238 1 12 . 1 1 835 835 ILE H H 835 7.315 7.315 7.145 0.170 25870 8239 1 12 . 1 1 836 836 LEU N N 836 121.201 121.201 118.919 2.282 25870 8240 1 12 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.842 0.113 25870 8241 1 12 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.005 0.069 25870 8242 1 12 . 1 1 836 836 LEU CB C 836 42.415 42.415 42.069 0.346 25870 8243 1 12 . 1 1 836 836 LEU H H 836 7.625 7.625 7.812 -0.187 25870 8244 1 12 . 1 1 837 837 ALA N N 837 119.184 119.184 118.673 0.511 25870 8245 1 12 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.884 0.011 25870 8246 1 12 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.934 -0.633 25870 8247 1 12 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.067 0.271 25870 8248 1 12 . 1 1 837 837 ALA H H 837 8.099 8.099 7.743 0.356 25870 8249 1 12 . 1 1 838 838 GLY N N 838 107.030 107.030 106.351 0.679 25870 8250 1 12 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.925 -0.007 25870 8251 1 12 . 1 1 838 838 GLY H H 838 7.676 7.676 8.379 -0.703 25870 8252 1 12 . 1 1 839 839 ASP N N 839 122.291 122.291 124.332 -2.041 25870 8253 1 12 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.701 -0.224 25870 8254 1 12 . 1 1 839 839 ASP CA C 839 54.511 54.511 54.102 0.409 25870 8255 1 12 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.477 -1.296 25870 8256 1 12 . 1 1 839 839 ASP H H 839 8.704 8.704 8.048 0.656 25870 8257 1 12 . 1 1 840 840 LYS N N 840 117.582 117.582 120.916 -3.334 25870 8258 1 12 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.374 -0.073 25870 8259 1 12 . 1 1 840 840 LYS CA C 840 55.780 55.780 55.897 -0.117 25870 8260 1 12 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.007 0.703 25870 8261 1 12 . 1 1 840 840 LYS H H 840 7.583 7.583 7.467 0.116 25870 8262 1 12 . 1 1 841 841 ASN N N 841 116.678 116.678 115.495 1.183 25870 8263 1 12 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.642 -0.031 25870 8264 1 12 . 1 1 841 841 ASN CA C 841 53.466 53.466 53.567 -0.101 25870 8265 1 12 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.225 -0.070 25870 8266 1 12 . 1 1 841 841 ASN H H 841 8.693 8.693 8.887 -0.194 25870 8267 1 12 . 1 1 842 842 TYR N N 842 112.236 112.236 114.028 -1.792 25870 8268 1 12 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.781 0.205 25870 8269 1 12 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.160 -1.242 25870 8270 1 12 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.460 0.135 25870 8271 1 12 . 1 1 842 842 TYR H H 842 6.637 6.637 7.247 -0.610 25870 8272 1 12 . 1 1 843 843 ILE N N 843 115.475 115.475 121.962 -6.487 25870 8273 1 12 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.465 0.327 25870 8274 1 12 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.300 0.657 25870 8275 1 12 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.790 0.219 25870 8276 1 12 . 1 1 843 843 ILE H H 843 8.630 8.630 9.278 -0.648 25870 8277 1 12 . 1 1 844 844 THR N N 844 117.169 117.169 118.435 -1.266 25870 8278 1 12 . 1 1 844 844 THR HA H 844 5.370 5.370 5.215 0.155 25870 8279 1 12 . 1 1 844 844 THR CA C 844 60.177 60.177 60.639 -0.462 25870 8280 1 12 . 1 1 844 844 THR CB C 844 71.088 71.088 70.601 0.487 25870 8281 1 12 . 1 1 844 844 THR H H 844 9.330 9.330 9.333 -0.003 25870 8282 1 12 . 1 1 845 845 MET N N 845 119.860 119.860 120.487 -0.627 25870 8283 1 12 . 1 1 845 845 MET HA H 845 3.824 3.824 3.958 -0.134 25870 8284 1 12 . 1 1 845 845 MET CA C 845 60.321 60.321 60.348 -0.027 25870 8285 1 12 . 1 1 845 845 MET CB C 845 33.030 33.030 32.280 0.750 25870 8286 1 12 . 1 1 845 845 MET H H 845 8.556 8.556 8.729 -0.173 25870 8287 1 12 . 1 1 846 846 ASP N N 846 116.363 116.363 117.647 -1.284 25870 8288 1 12 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.416 -0.136 25870 8289 1 12 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.418 0.986 25870 8290 1 12 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.043 0.541 25870 8291 1 12 . 1 1 846 846 ASP H H 846 8.377 8.377 8.616 -0.239 25870 8292 1 12 . 1 1 847 847 GLU N N 847 120.577 120.577 118.397 2.180 25870 8293 1 12 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.134 -0.280 25870 8294 1 12 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.615 1.042 25870 8295 1 12 . 1 1 847 847 GLU CB C 847 29.660 29.660 29.968 -0.308 25870 8296 1 12 . 1 1 847 847 GLU H H 847 7.855 7.855 7.504 0.351 25870 8297 1 12 . 1 1 848 848 LEU N N 848 118.714 118.714 119.573 -0.859 25870 8298 1 12 . 1 1 848 848 LEU HA H 848 3.822 3.822 3.911 -0.089 25870 8299 1 12 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.560 1.165 25870 8300 1 12 . 1 1 848 848 LEU CB C 848 42.457 42.457 41.825 0.631 25870 8301 1 12 . 1 1 848 848 LEU H H 848 7.849 7.849 7.376 0.473 25870 8302 1 12 . 1 1 849 849 ARG N N 849 113.972 113.972 115.356 -1.384 25870 8303 1 12 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.382 -0.458 25870 8304 1 12 . 1 1 849 849 ARG CA C 849 58.595 58.595 56.978 1.617 25870 8305 1 12 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.444 0.656 25870 8306 1 12 . 1 1 849 849 ARG H H 849 8.053 8.053 7.602 0.451 25870 8307 1 12 . 1 1 850 850 ARG N N 850 118.178 118.178 118.161 0.017 25870 8308 1 12 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.397 -0.204 25870 8309 1 12 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.567 0.678 25870 8310 1 12 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.023 0.097 25870 8311 1 12 . 1 1 850 850 ARG H H 850 7.743 7.743 7.401 0.342 25870 8312 1 12 . 1 1 851 851 GLU N N 851 115.518 115.518 119.414 -3.896 25870 8313 1 12 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.396 -0.046 25870 8314 1 12 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.265 -0.379 25870 8315 1 12 . 1 1 851 851 GLU CB C 851 31.590 31.590 31.000 0.590 25870 8316 1 12 . 1 1 851 851 GLU H H 851 7.596 7.596 7.838 -0.242 25870 8317 1 12 . 1 1 852 852 LEU N N 852 119.148 119.148 121.625 -2.477 25870 8318 1 12 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.100 -0.206 25870 8319 1 12 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.527 0.647 25870 8320 1 12 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.945 0.524 25870 8321 1 12 . 1 1 852 852 LEU H H 852 7.890 7.890 7.795 0.095 25870 8322 1 12 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.471 -0.124 25870 8323 1 12 . 1 1 853 853 PRO CA C 853 65.119 65.119 64.552 0.567 25870 8324 1 12 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.265 1.366 25870 8325 1 12 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.598 -0.328 25870 8326 1 12 . 1 1 854 854 PRO CA C 854 66.336 66.336 62.547 3.788 25870 8327 1 12 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.024 -0.768 25870 8328 1 12 . 1 1 855 855 ASP N N 855 114.865 114.865 119.042 -4.177 25870 8329 1 12 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.510 -0.161 25870 8330 1 12 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.369 -0.456 25870 8331 1 12 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.865 -1.621 25870 8332 1 12 . 1 1 855 855 ASP H H 855 8.801 8.801 8.196 0.605 25870 8333 1 12 . 1 1 856 856 GLN N N 856 121.465 121.465 119.009 2.456 25870 8334 1 12 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.330 -0.131 25870 8335 1 12 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.617 -1.300 25870 8336 1 12 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.403 0.844 25870 8337 1 12 . 1 1 856 856 GLN H H 856 7.472 7.472 8.604 -1.132 25870 8338 1 12 . 1 1 857 857 ALA N N 857 122.805 122.805 122.294 0.511 25870 8339 1 12 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.905 -0.106 25870 8340 1 12 . 1 1 857 857 ALA CA C 857 56.303 56.303 56.021 0.282 25870 8341 1 12 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.203 -0.259 25870 8342 1 12 . 1 1 857 857 ALA H H 857 8.882 8.882 7.982 0.900 25870 8343 1 12 . 1 1 858 858 GLU N N 858 114.094 114.094 118.376 -4.282 25870 8344 1 12 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.075 -0.051 25870 8345 1 12 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.567 0.115 25870 8346 1 12 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.206 -0.567 25870 8347 1 12 . 1 1 858 858 GLU H H 858 8.155 8.155 7.946 0.209 25870 8348 1 12 . 1 1 859 859 TYR N N 859 120.665 120.665 122.879 -2.214 25870 8349 1 12 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.250 -0.166 25870 8350 1 12 . 1 1 859 859 TYR CA C 859 61.006 61.006 61.086 -0.080 25870 8351 1 12 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.140 0.547 25870 8352 1 12 . 1 1 859 859 TYR H H 859 7.708 7.708 8.615 -0.907 25870 8353 1 12 . 1 1 860 860 CYS N N 860 115.812 115.812 117.865 -2.053 25870 8354 1 12 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.404 0.754 25870 8355 1 12 . 1 1 860 860 CYS CA C 860 64.254 64.254 63.974 0.280 25870 8356 1 12 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.951 0.353 25870 8357 1 12 . 1 1 860 860 CYS H H 860 8.113 8.113 8.061 0.052 25870 8358 1 12 . 1 1 861 861 ILE N N 861 120.078 120.078 119.942 0.136 25870 8359 1 12 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.556 -0.217 25870 8360 1 12 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.427 0.216 25870 8361 1 12 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.864 0.850 25870 8362 1 12 . 1 1 861 861 ILE H H 861 8.453 8.453 7.780 0.673 25870 8363 1 12 . 1 1 862 862 ALA N N 862 116.691 116.691 120.082 -3.391 25870 8364 1 12 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.077 0.132 25870 8365 1 12 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.862 -1.640 25870 8366 1 12 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.997 0.005 25870 8367 1 12 . 1 1 862 862 ALA H H 862 7.307 7.307 8.247 -0.940 25870 8368 1 12 . 1 1 863 863 ARG N N 863 117.226 117.226 116.106 1.120 25870 8369 1 12 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.418 -0.144 25870 8370 1 12 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.045 0.006 25870 8371 1 12 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.848 0.541 25870 8372 1 12 . 1 1 863 863 ARG H H 863 7.358 7.358 7.500 -0.142 25870 8373 1 12 . 1 1 864 864 MET N N 864 117.583 117.583 119.170 -1.587 25870 8374 1 12 . 1 1 864 864 MET HA H 864 4.561 4.561 4.392 0.169 25870 8375 1 12 . 1 1 864 864 MET CA C 864 54.927 54.927 56.439 -1.512 25870 8376 1 12 . 1 1 864 864 MET CB C 864 37.418 37.418 34.196 3.222 25870 8377 1 12 . 1 1 864 864 MET H H 864 7.153 7.153 7.570 -0.417 25870 8378 1 12 . 1 1 865 865 ALA N N 865 124.643 124.643 124.502 0.141 25870 8379 1 12 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.693 -0.827 25870 8380 1 12 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.542 -0.348 25870 8381 1 12 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.516 0.131 25870 8382 1 12 . 1 1 865 865 ALA H H 865 8.557 8.557 8.094 0.463 25870 8383 1 12 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.501 -0.005 25870 8384 1 12 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.864 -0.140 25870 8385 1 12 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.346 1.635 25870 8386 1 12 . 1 1 867 867 TYR N N 867 122.461 122.461 126.441 -3.980 25870 8387 1 12 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.550 0.178 25870 8388 1 12 . 1 1 867 867 TYR CA C 867 57.096 57.096 57.373 -0.278 25870 8389 1 12 . 1 1 867 867 TYR CB C 867 39.175 39.175 38.466 0.709 25870 8390 1 12 . 1 1 867 867 TYR H H 867 8.128 8.128 8.179 -0.051 25870 8391 1 12 . 1 1 868 868 THR HA H 868 4.351 4.351 4.469 -0.118 25870 8392 1 12 . 1 1 868 868 THR CA C 868 60.271 60.271 60.609 -0.338 25870 8393 1 12 . 1 1 868 868 THR CB C 868 68.737 68.737 71.077 -2.340 25870 8394 1 12 . 1 1 869 869 GLY CA C 869 44.914 44.914 44.733 0.181 25870 8395 1 12 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.428 -0.099 25870 8396 1 12 . 1 1 870 870 PRO CA C 870 64.697 64.697 64.267 0.430 25870 8397 1 12 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.086 -0.507 25870 8398 1 12 . 1 1 871 871 ASP N N 871 116.207 116.207 117.354 -1.147 25870 8399 1 12 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.855 -0.251 25870 8400 1 12 . 1 1 871 871 ASP CA C 871 52.749 52.749 53.167 -0.418 25870 8401 1 12 . 1 1 871 871 ASP CB C 871 38.929 38.929 41.024 -2.095 25870 8402 1 12 . 1 1 871 871 ASP H H 871 9.267 9.267 8.338 0.929 25870 8403 1 12 . 1 1 872 872 SER N N 872 112.349 112.349 114.195 -1.846 25870 8404 1 12 . 1 1 872 872 SER HA H 872 3.497 3.497 4.397 -0.900 25870 8405 1 12 . 1 1 872 872 SER CA C 872 59.065 59.065 57.790 1.275 25870 8406 1 12 . 1 1 872 872 SER CB C 872 63.125 63.125 63.989 -0.864 25870 8407 1 12 . 1 1 872 872 SER H H 872 7.487 7.487 7.238 0.249 25870 8408 1 12 . 1 1 873 873 VAL N N 873 113.567 113.567 114.389 -0.822 25870 8409 1 12 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.591 0.138 25870 8410 1 12 . 1 1 873 873 VAL CA C 873 58.044 58.044 57.774 0.270 25870 8411 1 12 . 1 1 873 873 VAL CB C 873 32.911 32.911 32.858 0.053 25870 8412 1 12 . 1 1 873 873 VAL H H 873 6.411 6.411 8.070 -1.659 25870 8413 1 12 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.469 -0.173 25870 8414 1 12 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.359 0.976 25870 8415 1 12 . 1 1 874 874 PRO CB C 874 31.515 31.515 32.090 -0.575 25870 8416 1 12 . 1 1 875 875 GLY N N 875 112.118 112.118 110.174 1.944 25870 8417 1 12 . 1 1 875 875 GLY CA C 875 45.557 45.557 45.097 0.460 25870 8418 1 12 . 1 1 875 875 GLY H H 875 8.800 8.800 8.565 0.235 25870 8419 1 12 . 1 1 876 876 ALA N N 876 120.262 120.262 122.486 -2.224 25870 8420 1 12 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.569 -1.469 25870 8421 1 12 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.632 2.441 25870 8422 1 12 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.731 -1.223 25870 8423 1 12 . 1 1 876 876 ALA H H 876 7.762 7.762 7.681 0.081 25870 8424 1 12 . 1 1 877 877 LEU N N 877 125.695 125.695 121.512 4.183 25870 8425 1 12 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.226 -0.450 25870 8426 1 12 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.702 0.567 25870 8427 1 12 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.095 -2.296 25870 8428 1 12 . 1 1 877 877 LEU H H 877 9.595 9.595 9.351 0.244 25870 8429 1 12 . 1 1 878 878 ASP N N 878 119.823 119.823 121.502 -1.679 25870 8430 1 12 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.525 0.354 25870 8431 1 12 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.305 -0.308 25870 8432 1 12 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.275 -0.494 25870 8433 1 12 . 1 1 878 878 ASP H H 878 9.031 9.031 8.082 0.949 25870 8434 1 12 . 1 1 879 879 TYR N N 879 126.556 126.556 123.822 2.734 25870 8435 1 12 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.408 0.183 25870 8436 1 12 . 1 1 879 879 TYR CA C 879 59.396 59.396 60.068 -0.672 25870 8437 1 12 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.835 -0.514 25870 8438 1 12 . 1 1 879 879 TYR H H 879 7.456 7.456 8.043 -0.587 25870 8439 1 12 . 1 1 880 880 MET N N 880 119.958 119.958 112.850 7.108 25870 8440 1 12 . 1 1 880 880 MET HA H 880 4.605 4.605 4.906 -0.301 25870 8441 1 12 . 1 1 880 880 MET CA C 880 56.044 56.044 56.586 -0.542 25870 8442 1 12 . 1 1 880 880 MET CB C 880 30.101 30.101 33.406 -3.305 25870 8443 1 12 . 1 1 880 880 MET H H 880 7.627 7.627 7.630 -0.003 25870 8444 1 12 . 1 1 881 881 SER N N 881 114.328 114.328 115.822 -1.494 25870 8445 1 12 . 1 1 881 881 SER HA H 881 4.471 4.471 4.621 -0.150 25870 8446 1 12 . 1 1 881 881 SER CA C 881 58.917 58.917 57.190 1.727 25870 8447 1 12 . 1 1 881 881 SER CB C 881 64.447 64.447 63.790 0.657 25870 8448 1 12 . 1 1 881 881 SER H H 881 7.726 7.726 7.788 -0.062 25870 8449 1 12 . 1 1 882 882 PHE N N 882 122.735 122.735 120.269 2.466 25870 8450 1 12 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.359 0.363 25870 8451 1 12 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.793 1.438 25870 8452 1 12 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.272 1.013 25870 8453 1 12 . 1 1 882 882 PHE H H 882 7.385 7.385 7.464 -0.079 25870 8454 1 12 . 1 1 883 883 SER N N 883 120.156 120.156 115.823 4.333 25870 8455 1 12 . 1 1 883 883 SER HA H 883 4.299 4.299 4.595 -0.296 25870 8456 1 12 . 1 1 883 883 SER CA C 883 57.280 57.280 56.992 0.288 25870 8457 1 12 . 1 1 883 883 SER CB C 883 64.601 64.601 66.149 -1.548 25870 8458 1 12 . 1 1 883 883 SER H H 883 7.472 7.472 8.641 -1.169 25870 8459 1 12 . 1 1 884 884 THR N N 884 110.683 110.683 111.985 -1.302 25870 8460 1 12 . 1 1 884 884 THR HA H 884 3.966 3.966 4.452 -0.486 25870 8461 1 12 . 1 1 884 884 THR CA C 884 63.465 63.465 62.938 0.527 25870 8462 1 12 . 1 1 884 884 THR CB C 884 68.899 68.899 68.509 0.390 25870 8463 1 12 . 1 1 884 884 THR H H 884 7.996 7.996 8.391 -0.395 25870 8464 1 12 . 1 1 885 885 ALA N N 885 125.456 125.456 123.312 2.144 25870 8465 1 12 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.249 -0.013 25870 8466 1 12 . 1 1 885 885 ALA CA C 885 52.030 52.030 52.385 -0.355 25870 8467 1 12 . 1 1 885 885 ALA CB C 885 19.225 19.225 19.203 0.022 25870 8468 1 12 . 1 1 885 885 ALA H H 885 7.905 7.905 8.133 -0.228 25870 8469 1 12 . 1 1 886 886 LEU N N 886 120.638 120.638 117.370 3.268 25870 8470 1 12 . 1 1 886 886 LEU HA H 886 4.002 4.002 3.744 0.258 25870 8471 1 12 . 1 1 886 886 LEU CA C 886 55.462 55.462 55.601 -0.139 25870 8472 1 12 . 1 1 886 886 LEU CB C 886 42.265 42.265 41.197 1.068 25870 8473 1 12 . 1 1 886 886 LEU H H 886 8.079 8.079 7.419 0.660 25870 8474 1 12 . 1 1 887 887 TYR N N 887 121.526 121.526 114.513 7.013 25870 8475 1 12 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.300 0.056 25870 8476 1 12 . 1 1 887 887 TYR CA C 887 58.750 58.750 58.711 0.039 25870 8477 1 12 . 1 1 887 887 TYR CB C 887 38.569 38.569 36.110 2.459 25870 8478 1 12 . 1 1 887 887 TYR H H 887 8.267 8.267 8.702 -0.435 25870 8479 1 12 . 1 1 888 888 GLY N N 888 112.379 112.379 107.131 5.248 25870 8480 1 12 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.380 0.709 25870 8481 1 12 . 1 1 888 888 GLY H H 888 8.087 8.087 8.043 0.044 25870 8482 1 12 . 1 1 889 889 GLU N N 889 120.255 120.255 119.216 1.039 25870 8483 1 12 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.250 0.006 25870 8484 1 12 . 1 1 889 889 GLU CA C 889 56.445 56.445 57.852 -1.407 25870 8485 1 12 . 1 1 889 889 GLU CB C 889 30.393 30.393 30.152 0.241 25870 8486 1 12 . 1 1 889 889 GLU H H 889 7.994 7.994 7.821 0.173 25870 8487 1 12 . 1 1 890 890 SER N N 890 116.375 116.375 112.275 4.100 25870 8488 1 12 . 1 1 890 890 SER HA H 890 4.415 4.415 4.695 -0.280 25870 8489 1 12 . 1 1 890 890 SER CA C 890 58.204 58.204 57.341 0.863 25870 8490 1 12 . 1 1 890 890 SER CB C 890 63.913 63.913 65.891 -1.978 25870 8491 1 12 . 1 1 890 890 SER H H 890 8.329 8.329 7.782 0.547 25870 8492 1 12 . 1 1 891 891 ASP N N 891 123.017 123.017 120.807 2.210 25870 8493 1 12 . 1 1 891 891 ASP HA H 891 4.610 4.610 5.164 -0.554 25870 8494 1 12 . 1 1 891 891 ASP CA C 891 54.371 54.371 53.352 1.019 25870 8495 1 12 . 1 1 891 891 ASP CB C 891 41.013 41.013 41.891 -0.878 25870 8496 1 12 . 1 1 891 891 ASP H H 891 8.394 8.394 8.126 0.268 25870 8497 1 13 . 1 1 742 742 SER HA H 742 4.525 4.525 4.586 -0.061 25870 8498 1 13 . 1 1 742 742 SER CA C 742 58.148 58.148 57.758 0.390 25870 8499 1 13 . 1 1 742 742 SER CB C 742 63.791 63.791 64.643 -0.852 25870 8500 1 13 . 1 1 743 743 ILE N N 743 122.172 122.172 126.170 -3.998 25870 8501 1 13 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.214 0.148 25870 8502 1 13 . 1 1 743 743 ILE CA C 743 60.421 60.421 61.537 -1.116 25870 8503 1 13 . 1 1 743 743 ILE CB C 743 39.166 39.166 39.251 -0.085 25870 8504 1 13 . 1 1 743 743 ILE H H 743 8.132 8.132 8.318 -0.186 25870 8505 1 13 . 1 1 744 744 SER N N 744 123.144 123.144 120.409 2.735 25870 8506 1 13 . 1 1 744 744 SER HA H 744 4.449 4.449 4.598 -0.149 25870 8507 1 13 . 1 1 744 744 SER CA C 744 57.463 57.463 56.830 0.633 25870 8508 1 13 . 1 1 744 744 SER CB C 744 65.219 65.219 64.629 0.590 25870 8509 1 13 . 1 1 744 744 SER H H 744 8.848 8.848 8.412 0.436 25870 8510 1 13 . 1 1 745 745 GLN N N 745 121.619 121.619 122.704 -1.085 25870 8511 1 13 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.124 -0.172 25870 8512 1 13 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.146 -0.378 25870 8513 1 13 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.866 -0.354 25870 8514 1 13 . 1 1 745 745 GLN H H 745 9.042 9.042 9.006 0.036 25870 8515 1 13 . 1 1 746 746 GLU N N 746 118.648 118.648 119.690 -1.042 25870 8516 1 13 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.128 -0.124 25870 8517 1 13 . 1 1 746 746 GLU CA C 746 60.223 60.223 59.600 0.623 25870 8518 1 13 . 1 1 746 746 GLU CB C 746 28.854 28.854 28.994 -0.140 25870 8519 1 13 . 1 1 746 746 GLU H H 746 8.721 8.721 7.664 1.057 25870 8520 1 13 . 1 1 747 747 GLN N N 747 120.463 120.463 119.767 0.696 25870 8521 1 13 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.362 -0.596 25870 8522 1 13 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.833 -0.527 25870 8523 1 13 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.130 0.818 25870 8524 1 13 . 1 1 747 747 GLN H H 747 7.838 7.838 8.475 -0.637 25870 8525 1 13 . 1 1 748 748 MET N N 748 119.252 119.252 115.959 3.293 25870 8526 1 13 . 1 1 748 748 MET HA H 748 4.200 4.200 4.473 -0.273 25870 8527 1 13 . 1 1 748 748 MET CA C 748 58.096 58.096 59.031 -0.935 25870 8528 1 13 . 1 1 748 748 MET CB C 748 30.900 30.900 32.391 -1.491 25870 8529 1 13 . 1 1 748 748 MET H H 748 8.473 8.473 8.120 0.353 25870 8530 1 13 . 1 1 749 749 ASN N N 749 117.740 117.740 118.732 -0.992 25870 8531 1 13 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.475 -0.001 25870 8532 1 13 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.849 -0.054 25870 8533 1 13 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.452 -1.039 25870 8534 1 13 . 1 1 749 749 ASN H H 749 8.334 8.334 7.586 0.748 25870 8535 1 13 . 1 1 750 750 GLU N N 750 122.848 122.848 119.196 3.652 25870 8536 1 13 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.136 0.068 25870 8537 1 13 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.436 0.905 25870 8538 1 13 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.625 -0.441 25870 8539 1 13 . 1 1 750 750 GLU H H 750 7.838 7.838 8.484 -0.646 25870 8540 1 13 . 1 1 751 751 PHE N N 751 120.177 120.177 123.171 -2.994 25870 8541 1 13 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.353 0.668 25870 8542 1 13 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.930 -1.577 25870 8543 1 13 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.420 -1.623 25870 8544 1 13 . 1 1 751 751 PHE H H 751 8.785 8.785 8.675 0.110 25870 8545 1 13 . 1 1 752 752 ARG N N 752 120.528 120.528 119.899 0.629 25870 8546 1 13 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.940 0.220 25870 8547 1 13 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.417 1.287 25870 8548 1 13 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.712 1.256 25870 8549 1 13 . 1 1 752 752 ARG H H 752 9.016 9.016 8.183 0.833 25870 8550 1 13 . 1 1 753 753 ALA N N 753 121.112 121.112 122.367 -1.255 25870 8551 1 13 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.511 -0.266 25870 8552 1 13 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.434 0.897 25870 8553 1 13 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.890 -0.067 25870 8554 1 13 . 1 1 753 753 ALA H H 753 8.100 8.100 7.715 0.385 25870 8555 1 13 . 1 1 754 754 SER N N 754 115.589 115.589 115.259 0.330 25870 8556 1 13 . 1 1 754 754 SER HA H 754 4.452 4.452 4.301 0.151 25870 8557 1 13 . 1 1 754 754 SER CA C 754 62.675 62.675 59.887 2.788 25870 8558 1 13 . 1 1 754 754 SER CB C 754 63.359 63.359 62.753 0.606 25870 8559 1 13 . 1 1 754 754 SER H H 754 8.391 8.391 7.869 0.522 25870 8560 1 13 . 1 1 755 755 PHE N N 755 121.886 121.886 119.230 2.656 25870 8561 1 13 . 1 1 755 755 PHE HA H 755 3.642 3.642 4.096 -0.454 25870 8562 1 13 . 1 1 755 755 PHE CA C 755 61.964 61.964 59.189 2.775 25870 8563 1 13 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.614 1.208 25870 8564 1 13 . 1 1 755 755 PHE H H 755 8.675 8.675 7.767 0.908 25870 8565 1 13 . 1 1 756 756 ASN N N 756 113.618 113.618 113.990 -0.372 25870 8566 1 13 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.364 0.063 25870 8567 1 13 . 1 1 756 756 ASN CA C 756 55.611 55.611 53.008 2.603 25870 8568 1 13 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.785 -0.947 25870 8569 1 13 . 1 1 756 756 ASN H H 756 8.593 8.593 7.697 0.896 25870 8570 1 13 . 1 1 757 757 HIS N N 757 119.679 119.679 120.212 -0.533 25870 8571 1 13 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.250 -0.171 25870 8572 1 13 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.832 0.512 25870 8573 1 13 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.261 -0.371 25870 8574 1 13 . 1 1 757 757 HIS H H 757 8.139 8.139 7.518 0.621 25870 8575 1 13 . 1 1 758 758 PHE N N 758 113.051 113.051 116.222 -3.171 25870 8576 1 13 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.377 -0.316 25870 8577 1 13 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.376 2.321 25870 8578 1 13 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.506 -1.771 25870 8579 1 13 . 1 1 758 758 PHE H H 758 7.585 7.585 7.500 0.085 25870 8580 1 13 . 1 1 759 759 ASP N N 759 120.916 120.916 121.027 -0.111 25870 8581 1 13 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.507 0.002 25870 8582 1 13 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.953 -2.782 25870 8583 1 13 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.383 -2.374 25870 8584 1 13 . 1 1 759 759 ASP H H 759 7.423 7.423 7.867 -0.444 25870 8585 1 13 . 1 1 760 760 ARG N N 760 124.819 124.819 126.582 -1.763 25870 8586 1 13 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.072 -0.304 25870 8587 1 13 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.667 -0.392 25870 8588 1 13 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.651 -0.402 25870 8589 1 13 . 1 1 760 760 ARG H H 760 7.781 7.781 8.480 -0.699 25870 8590 1 13 . 1 1 761 761 ASP N N 761 113.673 113.673 114.522 -0.849 25870 8591 1 13 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.670 -0.187 25870 8592 1 13 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.357 -1.380 25870 8593 1 13 . 1 1 761 761 ASP CB C 761 39.522 39.522 42.102 -2.580 25870 8594 1 13 . 1 1 761 761 ASP H H 761 7.821 7.821 7.914 -0.093 25870 8595 1 13 . 1 1 762 762 HIS N N 762 114.966 114.966 118.231 -3.265 25870 8596 1 13 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.284 -0.123 25870 8597 1 13 . 1 1 762 762 HIS CA C 762 56.618 56.618 57.015 -0.397 25870 8598 1 13 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.660 -2.280 25870 8599 1 13 . 1 1 762 762 HIS H H 762 7.744 7.744 7.995 -0.251 25870 8600 1 13 . 1 1 763 763 SER N N 763 115.077 115.077 114.112 0.965 25870 8601 1 13 . 1 1 763 763 SER HA H 763 4.336 4.336 4.348 -0.012 25870 8602 1 13 . 1 1 763 763 SER CA C 763 59.860 59.860 59.514 0.346 25870 8603 1 13 . 1 1 763 763 SER CB C 763 65.192 65.192 64.349 0.843 25870 8604 1 13 . 1 1 763 763 SER H H 763 8.726 8.726 8.045 0.681 25870 8605 1 13 . 1 1 764 764 GLY N N 764 116.915 116.915 111.316 5.599 25870 8606 1 13 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.453 -0.004 25870 8607 1 13 . 1 1 764 764 GLY H H 764 11.017 11.017 8.824 2.193 25870 8608 1 13 . 1 1 765 765 THR N N 765 107.334 107.334 109.836 -2.502 25870 8609 1 13 . 1 1 765 765 THR HA H 765 4.829 4.829 5.096 -0.267 25870 8610 1 13 . 1 1 765 765 THR CA C 765 58.759 58.759 60.072 -1.313 25870 8611 1 13 . 1 1 765 765 THR CB C 765 73.383 73.383 72.172 1.211 25870 8612 1 13 . 1 1 765 765 THR H H 765 7.693 7.693 7.899 -0.206 25870 8613 1 13 . 1 1 766 766 LEU N N 766 124.664 124.664 124.444 0.220 25870 8614 1 13 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.847 0.053 25870 8615 1 13 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.980 -1.641 25870 8616 1 13 . 1 1 766 766 LEU CB C 766 42.339 42.339 43.090 -0.751 25870 8617 1 13 . 1 1 766 766 LEU H H 766 9.209 9.209 8.551 0.658 25870 8618 1 13 . 1 1 767 767 GLY N N 767 112.024 112.024 111.718 0.306 25870 8619 1 13 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.816 0.307 25870 8620 1 13 . 1 1 767 767 GLY H H 767 8.910 8.910 9.088 -0.178 25870 8621 1 13 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.543 -0.225 25870 8622 1 13 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.149 0.978 25870 8623 1 13 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.101 -0.072 25870 8624 1 13 . 1 1 769 769 GLU N N 769 115.246 115.246 118.405 -3.159 25870 8625 1 13 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.086 -0.115 25870 8626 1 13 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.905 0.716 25870 8627 1 13 . 1 1 769 769 GLU CB C 769 28.628 28.628 28.760 -0.132 25870 8628 1 13 . 1 1 769 769 GLU H H 769 8.622 8.622 8.933 -0.311 25870 8629 1 13 . 1 1 770 770 GLU N N 770 121.127 121.127 118.550 2.577 25870 8630 1 13 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.255 0.017 25870 8631 1 13 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.312 0.185 25870 8632 1 13 . 1 1 770 770 GLU CB C 770 31.372 31.372 30.029 1.343 25870 8633 1 13 . 1 1 770 770 GLU H H 770 7.493 7.493 7.868 -0.375 25870 8634 1 13 . 1 1 771 771 PHE N N 771 117.688 117.688 122.190 -4.502 25870 8635 1 13 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.284 0.071 25870 8636 1 13 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.534 -1.909 25870 8637 1 13 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.474 -0.664 25870 8638 1 13 . 1 1 771 771 PHE H H 771 9.110 9.110 8.997 0.113 25870 8639 1 13 . 1 1 772 772 LYS N N 772 119.789 119.789 118.585 1.204 25870 8640 1 13 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.750 -0.437 25870 8641 1 13 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.276 2.396 25870 8642 1 13 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.981 0.998 25870 8643 1 13 . 1 1 772 772 LYS H H 772 8.594 8.594 8.063 0.531 25870 8644 1 13 . 1 1 773 773 ALA N N 773 118.461 118.461 120.704 -2.243 25870 8645 1 13 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.022 -0.141 25870 8646 1 13 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.776 1.237 25870 8647 1 13 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.864 -1.235 25870 8648 1 13 . 1 1 773 773 ALA H H 773 7.231 7.231 7.472 -0.241 25870 8649 1 13 . 1 1 774 774 CYS N N 774 120.913 120.913 119.366 1.547 25870 8650 1 13 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.425 0.010 25870 8651 1 13 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.562 -0.388 25870 8652 1 13 . 1 1 774 774 CYS CB C 774 26.215 26.215 27.118 -0.903 25870 8653 1 13 . 1 1 774 774 CYS H H 774 7.498 7.498 7.721 -0.223 25870 8654 1 13 . 1 1 775 775 LEU N N 775 119.201 119.201 118.619 0.582 25870 8655 1 13 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.549 0.217 25870 8656 1 13 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.570 1.362 25870 8657 1 13 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.116 -0.166 25870 8658 1 13 . 1 1 775 775 LEU H H 775 8.372 8.372 7.506 0.866 25870 8659 1 13 . 1 1 776 776 ILE N N 776 121.051 121.051 118.500 2.551 25870 8660 1 13 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.493 1.597 25870 8661 1 13 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.271 0.973 25870 8662 1 13 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.189 0.802 25870 8663 1 13 . 1 1 776 776 ILE H H 776 8.358 8.358 6.718 1.640 25870 8664 1 13 . 1 1 777 777 SER N N 777 119.109 119.109 114.340 4.769 25870 8665 1 13 . 1 1 777 777 SER HA H 777 4.291 4.291 4.237 0.054 25870 8666 1 13 . 1 1 777 777 SER CA C 777 61.725 61.725 60.664 1.061 25870 8667 1 13 . 1 1 777 777 SER CB C 777 62.995 62.995 63.049 -0.054 25870 8668 1 13 . 1 1 777 777 SER H H 777 7.822 7.822 7.510 0.312 25870 8669 1 13 . 1 1 778 778 LEU N N 778 121.208 121.208 117.281 3.927 25870 8670 1 13 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.406 0.100 25870 8671 1 13 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.731 1.268 25870 8672 1 13 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.117 0.553 25870 8673 1 13 . 1 1 778 778 LEU H H 778 7.671 7.671 7.062 0.609 25870 8674 1 13 . 1 1 779 779 GLY N N 779 106.232 106.232 106.854 -0.622 25870 8675 1 13 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.291 -0.004 25870 8676 1 13 . 1 1 779 779 GLY H H 779 7.897 7.897 7.261 0.636 25870 8677 1 13 . 1 1 780 780 TYR N N 780 120.772 120.772 117.417 3.355 25870 8678 1 13 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.675 -0.533 25870 8679 1 13 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.386 3.845 25870 8680 1 13 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.583 -0.242 25870 8681 1 13 . 1 1 780 780 TYR H H 780 8.072 8.072 7.483 0.589 25870 8682 1 13 . 1 1 781 781 ASP N N 781 124.304 124.304 117.635 6.669 25870 8683 1 13 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.726 -0.061 25870 8684 1 13 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.494 -0.346 25870 8685 1 13 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.613 -0.809 25870 8686 1 13 . 1 1 781 781 ASP H H 781 8.862 8.862 9.041 -0.179 25870 8687 1 13 . 1 1 782 782 ILE N N 782 122.271 122.271 112.621 9.650 25870 8688 1 13 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.427 -0.086 25870 8689 1 13 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.089 -0.097 25870 8690 1 13 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.720 -2.813 25870 8691 1 13 . 1 1 782 782 ILE H H 782 7.344 7.344 6.955 0.389 25870 8692 1 13 . 1 1 783 783 GLY N N 783 112.322 112.322 106.690 5.632 25870 8693 1 13 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.742 -0.219 25870 8694 1 13 . 1 1 783 783 GLY H H 783 8.122 8.122 8.160 -0.038 25870 8695 1 13 . 1 1 784 784 ASN N N 784 118.727 118.727 120.151 -1.424 25870 8696 1 13 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.863 0.019 25870 8697 1 13 . 1 1 784 784 ASN CA C 784 52.098 52.098 53.098 -1.000 25870 8698 1 13 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.317 -0.893 25870 8699 1 13 . 1 1 784 784 ASN H H 784 8.452 8.452 8.655 -0.203 25870 8700 1 13 . 1 1 785 785 ASP N N 785 119.826 119.826 120.145 -0.319 25870 8701 1 13 . 1 1 785 785 ASP HA H 785 4.778 4.778 5.034 -0.256 25870 8702 1 13 . 1 1 785 785 ASP CA C 785 52.164 52.164 51.601 0.563 25870 8703 1 13 . 1 1 785 785 ASP CB C 785 39.657 39.657 42.823 -3.166 25870 8704 1 13 . 1 1 785 785 ASP H H 785 8.145 8.145 7.805 0.340 25870 8705 1 13 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.315 -0.044 25870 8706 1 13 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.358 0.907 25870 8707 1 13 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.234 -0.223 25870 8708 1 13 . 1 1 787 787 GLN N N 787 118.097 118.097 118.091 0.006 25870 8709 1 13 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.342 -0.201 25870 8710 1 13 . 1 1 787 787 GLN CA C 787 59.115 59.115 57.732 1.383 25870 8711 1 13 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.715 -0.983 25870 8712 1 13 . 1 1 787 787 GLN H H 787 8.409 8.409 8.409 0.000 25870 8713 1 13 . 1 1 788 788 GLY N N 788 113.421 113.421 108.681 4.740 25870 8714 1 13 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.570 0.747 25870 8715 1 13 . 1 1 788 788 GLY H H 788 8.644 8.644 8.387 0.257 25870 8716 1 13 . 1 1 789 789 GLU N N 789 121.223 121.223 121.950 -0.727 25870 8717 1 13 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.165 -0.017 25870 8718 1 13 . 1 1 789 789 GLU CA C 789 59.344 59.344 58.995 0.349 25870 8719 1 13 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.683 -0.249 25870 8720 1 13 . 1 1 789 789 GLU H H 789 8.514 8.514 8.607 -0.093 25870 8721 1 13 . 1 1 790 790 ALA N N 790 122.879 122.879 122.441 0.438 25870 8722 1 13 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.212 0.035 25870 8723 1 13 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.080 -0.172 25870 8724 1 13 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.372 -0.592 25870 8725 1 13 . 1 1 790 790 ALA H H 790 8.024 8.024 7.589 0.435 25870 8726 1 13 . 1 1 791 791 GLU N N 791 122.622 122.622 118.935 3.687 25870 8727 1 13 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.105 0.582 25870 8728 1 13 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.571 -0.437 25870 8729 1 13 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.476 -0.415 25870 8730 1 13 . 1 1 791 791 GLU H H 791 8.280 8.280 7.722 0.558 25870 8731 1 13 . 1 1 792 792 PHE N N 792 119.949 119.949 121.573 -1.624 25870 8732 1 13 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.165 -0.127 25870 8733 1 13 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.463 0.349 25870 8734 1 13 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.595 0.003 25870 8735 1 13 . 1 1 792 792 PHE H H 792 8.722 8.722 8.777 -0.055 25870 8736 1 13 . 1 1 793 793 ALA N N 793 119.652 119.652 120.870 -1.218 25870 8737 1 13 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.365 0.489 25870 8738 1 13 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.309 0.593 25870 8739 1 13 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.983 -0.355 25870 8740 1 13 . 1 1 793 793 ALA H H 793 8.163 8.163 7.778 0.385 25870 8741 1 13 . 1 1 794 794 ARG N N 794 121.092 121.092 119.211 1.881 25870 8742 1 13 . 1 1 794 794 ARG HA H 794 3.910 3.910 4.026 -0.116 25870 8743 1 13 . 1 1 794 794 ARG CA C 794 59.471 59.471 58.986 0.485 25870 8744 1 13 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.260 -0.168 25870 8745 1 13 . 1 1 794 794 ARG H H 794 8.034 8.034 7.585 0.449 25870 8746 1 13 . 1 1 795 795 ILE N N 795 121.394 121.394 119.172 2.222 25870 8747 1 13 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.879 -0.491 25870 8748 1 13 . 1 1 795 795 ILE CA C 795 65.848 65.848 64.558 1.290 25870 8749 1 13 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.496 -0.287 25870 8750 1 13 . 1 1 795 795 ILE H H 795 8.049 8.049 7.881 0.168 25870 8751 1 13 . 1 1 796 796 MET N N 796 119.012 119.012 118.549 0.463 25870 8752 1 13 . 1 1 796 796 MET HA H 796 4.155 4.155 3.855 0.300 25870 8753 1 13 . 1 1 796 796 MET CA C 796 56.470 56.470 58.325 -1.855 25870 8754 1 13 . 1 1 796 796 MET CB C 796 29.892 29.892 31.754 -1.862 25870 8755 1 13 . 1 1 796 796 MET H H 796 8.589 8.589 8.071 0.518 25870 8756 1 13 . 1 1 797 797 SER N N 797 114.132 114.132 112.603 1.529 25870 8757 1 13 . 1 1 797 797 SER HA H 797 4.097 4.097 4.252 -0.155 25870 8758 1 13 . 1 1 797 797 SER CA C 797 61.231 61.231 59.648 1.583 25870 8759 1 13 . 1 1 797 797 SER CB C 797 62.895 62.895 63.625 -0.730 25870 8760 1 13 . 1 1 797 797 SER H H 797 7.732 7.732 7.521 0.211 25870 8761 1 13 . 1 1 798 798 ILE N N 798 120.873 120.873 116.693 4.180 25870 8762 1 13 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.133 -0.315 25870 8763 1 13 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.377 0.498 25870 8764 1 13 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.432 0.430 25870 8765 1 13 . 1 1 798 798 ILE H H 798 7.352 7.352 7.940 -0.588 25870 8766 1 13 . 1 1 799 799 VAL N N 799 110.552 110.552 119.350 -8.798 25870 8767 1 13 . 1 1 799 799 VAL HA H 799 4.243 4.243 3.840 0.403 25870 8768 1 13 . 1 1 799 799 VAL CA C 799 62.616 62.616 62.168 0.448 25870 8769 1 13 . 1 1 799 799 VAL CB C 799 32.416 32.416 31.903 0.513 25870 8770 1 13 . 1 1 799 799 VAL H H 799 7.648 7.648 7.402 0.246 25870 8771 1 13 . 1 1 800 800 ASP N N 800 119.435 119.435 117.616 1.819 25870 8772 1 13 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.080 0.145 25870 8773 1 13 . 1 1 800 800 ASP CA C 800 51.715 51.715 49.961 1.754 25870 8774 1 13 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.010 0.076 25870 8775 1 13 . 1 1 800 800 ASP H H 800 8.074 8.074 7.481 0.593 25870 8776 1 13 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.424 -0.093 25870 8777 1 13 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.747 1.072 25870 8778 1 13 . 1 1 801 801 PRO CB C 801 31.689 31.689 32.022 -0.333 25870 8779 1 13 . 1 1 802 802 ASN N N 802 115.164 115.164 116.584 -1.420 25870 8780 1 13 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.705 0.055 25870 8781 1 13 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.768 0.230 25870 8782 1 13 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.686 -1.734 25870 8783 1 13 . 1 1 802 802 ASN H H 802 8.949 8.949 7.643 1.306 25870 8784 1 13 . 1 1 803 803 ARG N N 803 117.446 117.446 115.931 1.515 25870 8785 1 13 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.217 -0.387 25870 8786 1 13 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.858 0.029 25870 8787 1 13 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.078 -0.724 25870 8788 1 13 . 1 1 803 803 ARG H H 803 7.958 7.958 7.874 0.084 25870 8789 1 13 . 1 1 804 804 LEU N N 804 123.307 123.307 116.819 6.488 25870 8790 1 13 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.681 -0.525 25870 8791 1 13 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.422 1.951 25870 8792 1 13 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.641 1.289 25870 8793 1 13 . 1 1 804 804 LEU H H 804 10.591 10.591 8.113 2.478 25870 8794 1 13 . 1 1 805 805 GLY N N 805 110.516 110.516 107.440 3.076 25870 8795 1 13 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.753 -0.809 25870 8796 1 13 . 1 1 805 805 GLY H H 805 11.001 11.001 8.526 2.475 25870 8797 1 13 . 1 1 806 806 VAL N N 806 109.840 109.840 115.711 -5.871 25870 8798 1 13 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.351 0.220 25870 8799 1 13 . 1 1 806 806 VAL CA C 806 58.566 58.566 60.206 -1.640 25870 8800 1 13 . 1 1 806 806 VAL CB C 806 36.853 36.853 34.974 1.879 25870 8801 1 13 . 1 1 806 806 VAL H H 806 6.831 6.831 7.071 -0.240 25870 8802 1 13 . 1 1 807 807 VAL N N 807 122.184 122.184 122.499 -0.315 25870 8803 1 13 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.506 -0.339 25870 8804 1 13 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.879 0.765 25870 8805 1 13 . 1 1 807 807 VAL CB C 807 32.383 32.383 31.893 0.490 25870 8806 1 13 . 1 1 807 807 VAL H H 807 9.007 9.007 8.811 0.196 25870 8807 1 13 . 1 1 808 808 THR N N 808 117.391 117.391 118.568 -1.177 25870 8808 1 13 . 1 1 808 808 THR HA H 808 4.593 4.593 4.587 0.006 25870 8809 1 13 . 1 1 808 808 THR CA C 808 60.615 60.615 58.689 1.926 25870 8810 1 13 . 1 1 808 808 THR CB C 808 70.695 70.695 71.320 -0.625 25870 8811 1 13 . 1 1 808 808 THR H H 808 7.925 7.925 7.487 0.438 25870 8812 1 13 . 1 1 809 809 PHE N N 809 122.236 122.236 119.192 3.044 25870 8813 1 13 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.681 -1.041 25870 8814 1 13 . 1 1 809 809 PHE CA C 809 61.749 61.749 60.702 1.047 25870 8815 1 13 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.628 0.549 25870 8816 1 13 . 1 1 809 809 PHE H H 809 9.349 9.349 8.017 1.332 25870 8817 1 13 . 1 1 810 810 GLN N N 810 116.788 116.788 116.348 0.440 25870 8818 1 13 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.249 -0.651 25870 8819 1 13 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.551 1.031 25870 8820 1 13 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.582 -0.383 25870 8821 1 13 . 1 1 810 810 GLN H H 810 8.572 8.572 7.755 0.817 25870 8822 1 13 . 1 1 811 811 ALA N N 811 121.208 121.208 122.470 -1.262 25870 8823 1 13 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.191 -0.072 25870 8824 1 13 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.681 1.230 25870 8825 1 13 . 1 1 811 811 ALA CB C 811 19.265 19.265 19.156 0.109 25870 8826 1 13 . 1 1 811 811 ALA H H 811 7.667 7.667 7.427 0.240 25870 8827 1 13 . 1 1 812 812 PHE N N 812 119.805 119.805 118.115 1.690 25870 8828 1 13 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.299 -0.319 25870 8829 1 13 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.066 -0.326 25870 8830 1 13 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.322 1.348 25870 8831 1 13 . 1 1 812 812 PHE H H 812 8.400 8.400 7.910 0.490 25870 8832 1 13 . 1 1 813 813 ILE N N 813 118.098 118.098 118.831 -0.733 25870 8833 1 13 . 1 1 813 813 ILE HA H 813 3.146 3.146 3.952 -0.806 25870 8834 1 13 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.776 0.523 25870 8835 1 13 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.371 -0.169 25870 8836 1 13 . 1 1 813 813 ILE H H 813 8.364 8.364 7.860 0.504 25870 8837 1 13 . 1 1 814 814 ASP N N 814 123.528 123.528 120.503 3.025 25870 8838 1 13 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.317 -0.121 25870 8839 1 13 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.886 -0.206 25870 8840 1 13 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.762 -0.526 25870 8841 1 13 . 1 1 814 814 ASP H H 814 8.221 8.221 8.512 -0.291 25870 8842 1 13 . 1 1 815 815 PHE N N 815 120.584 120.584 120.269 0.315 25870 8843 1 13 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.366 -0.237 25870 8844 1 13 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.801 0.283 25870 8845 1 13 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.530 0.168 25870 8846 1 13 . 1 1 815 815 PHE H H 815 7.887 7.887 7.797 0.090 25870 8847 1 13 . 1 1 816 816 MET N N 816 116.960 116.960 118.330 -1.370 25870 8848 1 13 . 1 1 816 816 MET HA H 816 3.782 3.782 4.053 -0.271 25870 8849 1 13 . 1 1 816 816 MET CA C 816 55.662 55.662 57.099 -1.437 25870 8850 1 13 . 1 1 816 816 MET CB C 816 30.033 30.033 31.575 -1.542 25870 8851 1 13 . 1 1 816 816 MET H H 816 8.372 8.372 8.149 0.223 25870 8852 1 13 . 1 1 817 817 SER N N 817 114.277 114.277 112.022 2.255 25870 8853 1 13 . 1 1 817 817 SER HA H 817 4.194 4.194 4.383 -0.189 25870 8854 1 13 . 1 1 817 817 SER CA C 817 60.521 60.521 60.248 0.272 25870 8855 1 13 . 1 1 817 817 SER CB C 817 63.185 63.185 63.486 -0.301 25870 8856 1 13 . 1 1 817 817 SER H H 817 8.074 8.074 8.376 -0.302 25870 8857 1 13 . 1 1 818 818 ARG N N 818 121.493 121.493 121.428 0.065 25870 8858 1 13 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.085 0.039 25870 8859 1 13 . 1 1 818 818 ARG CA C 818 57.684 57.684 58.250 -0.566 25870 8860 1 13 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.569 0.746 25870 8861 1 13 . 1 1 818 818 ARG H H 818 7.288 7.288 7.748 -0.460 25870 8862 1 13 . 1 1 819 819 GLU N N 819 119.737 119.737 118.392 1.345 25870 8863 1 13 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.098 0.003 25870 8864 1 13 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.472 -1.406 25870 8865 1 13 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.203 1.288 25870 8866 1 13 . 1 1 819 819 GLU H H 819 8.045 8.045 7.580 0.465 25870 8867 1 13 . 1 1 820 820 THR N N 820 112.128 112.128 109.782 2.346 25870 8868 1 13 . 1 1 820 820 THR HA H 820 4.280 4.280 4.065 0.215 25870 8869 1 13 . 1 1 820 820 THR CA C 820 62.055 62.055 62.676 -0.621 25870 8870 1 13 . 1 1 820 820 THR CB C 820 69.828 69.828 68.981 0.847 25870 8871 1 13 . 1 1 820 820 THR H H 820 7.760 7.760 7.289 0.471 25870 8872 1 13 . 1 1 821 821 ALA N N 821 126.098 126.098 124.480 1.618 25870 8873 1 13 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.404 -0.120 25870 8874 1 13 . 1 1 821 821 ALA CA C 821 52.726 52.726 50.506 2.220 25870 8875 1 13 . 1 1 821 821 ALA CB C 821 19.304 19.304 20.807 -1.503 25870 8876 1 13 . 1 1 821 821 ALA H H 821 7.957 7.957 7.429 0.528 25870 8877 1 13 . 1 1 822 822 ASP N N 822 119.904 119.904 122.768 -2.864 25870 8878 1 13 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.395 0.218 25870 8879 1 13 . 1 1 822 822 ASP CA C 822 54.335 54.335 54.844 -0.509 25870 8880 1 13 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.392 -0.360 25870 8881 1 13 . 1 1 822 822 ASP H H 822 8.352 8.352 8.378 -0.026 25870 8882 1 13 . 1 1 823 823 THR N N 823 114.142 114.142 119.543 -5.401 25870 8883 1 13 . 1 1 823 823 THR HA H 823 4.278 4.278 4.492 -0.213 25870 8884 1 13 . 1 1 823 823 THR CA C 823 62.117 62.117 61.224 0.893 25870 8885 1 13 . 1 1 823 823 THR CB C 823 69.584 69.584 70.841 -1.257 25870 8886 1 13 . 1 1 823 823 THR H H 823 8.079 8.079 7.980 0.099 25870 8887 1 13 . 1 1 824 824 ASP N N 824 123.261 123.261 122.906 0.355 25870 8888 1 13 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.439 0.218 25870 8889 1 13 . 1 1 824 824 ASP CA C 824 54.786 54.786 57.172 -2.386 25870 8890 1 13 . 1 1 824 824 ASP CB C 824 41.085 41.085 41.129 -0.044 25870 8891 1 13 . 1 1 824 824 ASP H H 824 8.431 8.431 8.936 -0.505 25870 8892 1 13 . 1 1 825 825 THR N N 825 114.932 114.932 113.691 1.241 25870 8893 1 13 . 1 1 825 825 THR HA H 825 4.161 4.161 4.185 -0.024 25870 8894 1 13 . 1 1 825 825 THR CA C 825 63.109 63.109 64.679 -1.570 25870 8895 1 13 . 1 1 825 825 THR CB C 825 69.455 69.455 68.266 1.189 25870 8896 1 13 . 1 1 825 825 THR H H 825 8.155 8.155 8.492 -0.337 25870 8897 1 13 . 1 1 826 826 ALA N N 826 124.961 124.961 124.267 0.694 25870 8898 1 13 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.132 0.028 25870 8899 1 13 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.307 0.084 25870 8900 1 13 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.350 0.260 25870 8901 1 13 . 1 1 826 826 ALA H H 826 8.379 8.379 7.557 0.822 25870 8902 1 13 . 1 1 827 827 ASP N N 827 117.765 117.765 118.146 -0.381 25870 8903 1 13 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.334 0.091 25870 8904 1 13 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.320 -1.269 25870 8905 1 13 . 1 1 827 827 ASP CB C 827 40.559 40.559 40.979 -0.420 25870 8906 1 13 . 1 1 827 827 ASP H H 827 8.250 8.250 7.879 0.371 25870 8907 1 13 . 1 1 828 828 GLN N N 828 120.523 120.523 118.357 2.166 25870 8908 1 13 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.111 -0.020 25870 8909 1 13 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.350 -0.536 25870 8910 1 13 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.647 -0.098 25870 8911 1 13 . 1 1 828 828 GLN H H 828 8.076 8.076 7.647 0.429 25870 8912 1 13 . 1 1 829 829 VAL N N 829 120.970 120.970 120.433 0.537 25870 8913 1 13 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.868 -0.343 25870 8914 1 13 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.416 0.778 25870 8915 1 13 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.542 -0.001 25870 8916 1 13 . 1 1 829 829 VAL H H 829 8.051 8.051 7.319 0.732 25870 8917 1 13 . 1 1 830 830 MET N N 830 119.572 119.572 118.573 0.999 25870 8918 1 13 . 1 1 830 830 MET HA H 830 4.006 4.006 3.912 0.094 25870 8919 1 13 . 1 1 830 830 MET CA C 830 57.977 57.977 58.317 -0.340 25870 8920 1 13 . 1 1 830 830 MET CB C 830 31.995 31.995 31.639 0.356 25870 8921 1 13 . 1 1 830 830 MET H H 830 8.110 8.110 8.204 -0.094 25870 8922 1 13 . 1 1 831 831 ALA N N 831 121.059 121.059 120.919 0.140 25870 8923 1 13 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.519 0.526 25870 8924 1 13 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.336 0.165 25870 8925 1 13 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.519 0.548 25870 8926 1 13 . 1 1 831 831 ALA H H 831 7.836 7.836 7.373 0.463 25870 8927 1 13 . 1 1 832 832 SER N N 832 114.256 114.256 115.910 -1.654 25870 8928 1 13 . 1 1 832 832 SER HA H 832 4.141 4.141 4.005 0.136 25870 8929 1 13 . 1 1 832 832 SER CA C 832 60.845 60.845 61.305 -0.460 25870 8930 1 13 . 1 1 832 832 SER CB C 832 62.613 62.613 62.898 -0.285 25870 8931 1 13 . 1 1 832 832 SER H H 832 7.714 7.714 7.697 0.017 25870 8932 1 13 . 1 1 833 833 PHE N N 833 121.847 121.847 119.156 2.691 25870 8933 1 13 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.277 -0.454 25870 8934 1 13 . 1 1 833 833 PHE CA C 833 58.627 58.627 57.548 1.079 25870 8935 1 13 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.401 0.726 25870 8936 1 13 . 1 1 833 833 PHE H H 833 7.740 7.740 7.677 0.063 25870 8937 1 13 . 1 1 834 834 LYS N N 834 118.759 118.759 120.566 -1.807 25870 8938 1 13 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.724 -0.135 25870 8939 1 13 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.047 1.337 25870 8940 1 13 . 1 1 834 834 LYS CB C 834 32.143 32.143 32.010 0.133 25870 8941 1 13 . 1 1 834 834 LYS H H 834 7.843 7.843 7.982 -0.139 25870 8942 1 13 . 1 1 835 835 ILE N N 835 118.537 118.537 119.802 -1.265 25870 8943 1 13 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.757 -0.021 25870 8944 1 13 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.484 -0.770 25870 8945 1 13 . 1 1 835 835 ILE CB C 835 37.825 37.825 37.811 0.014 25870 8946 1 13 . 1 1 835 835 ILE H H 835 7.315 7.315 7.131 0.184 25870 8947 1 13 . 1 1 836 836 LEU N N 836 121.201 121.201 118.850 2.351 25870 8948 1 13 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.915 0.040 25870 8949 1 13 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.314 -0.240 25870 8950 1 13 . 1 1 836 836 LEU CB C 836 42.415 42.415 41.955 0.460 25870 8951 1 13 . 1 1 836 836 LEU H H 836 7.625 7.625 8.042 -0.417 25870 8952 1 13 . 1 1 837 837 ALA N N 837 119.184 119.184 118.414 0.770 25870 8953 1 13 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.894 0.001 25870 8954 1 13 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.779 -0.478 25870 8955 1 13 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.060 0.278 25870 8956 1 13 . 1 1 837 837 ALA H H 837 8.099 8.099 7.431 0.668 25870 8957 1 13 . 1 1 838 838 GLY N N 838 107.030 107.030 106.744 0.286 25870 8958 1 13 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.743 0.175 25870 8959 1 13 . 1 1 838 838 GLY H H 838 7.676 7.676 8.296 -0.620 25870 8960 1 13 . 1 1 839 839 ASP N N 839 122.291 122.291 124.073 -1.782 25870 8961 1 13 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.839 -0.362 25870 8962 1 13 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.212 1.298 25870 8963 1 13 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.678 -1.497 25870 8964 1 13 . 1 1 839 839 ASP H H 839 8.704 8.704 8.038 0.666 25870 8965 1 13 . 1 1 840 840 LYS N N 840 117.582 117.582 120.141 -2.559 25870 8966 1 13 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.466 -0.165 25870 8967 1 13 . 1 1 840 840 LYS CA C 840 55.780 55.780 55.853 -0.073 25870 8968 1 13 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.400 0.310 25870 8969 1 13 . 1 1 840 840 LYS H H 840 7.583 7.583 7.479 0.104 25870 8970 1 13 . 1 1 841 841 ASN N N 841 116.678 116.678 117.300 -0.622 25870 8971 1 13 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.614 -0.003 25870 8972 1 13 . 1 1 841 841 ASN CA C 841 53.466 53.466 53.865 -0.399 25870 8973 1 13 . 1 1 841 841 ASN CB C 841 39.155 39.155 38.980 0.175 25870 8974 1 13 . 1 1 841 841 ASN H H 841 8.693 8.693 8.902 -0.209 25870 8975 1 13 . 1 1 842 842 TYR N N 842 112.236 112.236 114.143 -1.907 25870 8976 1 13 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.843 0.143 25870 8977 1 13 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.038 -1.120 25870 8978 1 13 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.531 0.064 25870 8979 1 13 . 1 1 842 842 TYR H H 842 6.637 6.637 7.312 -0.675 25870 8980 1 13 . 1 1 843 843 ILE N N 843 115.475 115.475 121.354 -5.879 25870 8981 1 13 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.540 0.252 25870 8982 1 13 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.309 0.648 25870 8983 1 13 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.936 0.073 25870 8984 1 13 . 1 1 843 843 ILE H H 843 8.630 8.630 9.232 -0.602 25870 8985 1 13 . 1 1 844 844 THR N N 844 117.169 117.169 117.532 -0.363 25870 8986 1 13 . 1 1 844 844 THR HA H 844 5.370 5.370 5.325 0.045 25870 8987 1 13 . 1 1 844 844 THR CA C 844 60.177 60.177 60.319 -0.142 25870 8988 1 13 . 1 1 844 844 THR CB C 844 71.088 71.088 70.919 0.169 25870 8989 1 13 . 1 1 844 844 THR H H 844 9.330 9.330 9.303 0.027 25870 8990 1 13 . 1 1 845 845 MET N N 845 119.860 119.860 120.481 -0.621 25870 8991 1 13 . 1 1 845 845 MET HA H 845 3.824 3.824 4.064 -0.240 25870 8992 1 13 . 1 1 845 845 MET CA C 845 60.321 60.321 60.389 -0.069 25870 8993 1 13 . 1 1 845 845 MET CB C 845 33.030 33.030 32.289 0.741 25870 8994 1 13 . 1 1 845 845 MET H H 845 8.556 8.556 8.813 -0.257 25870 8995 1 13 . 1 1 846 846 ASP N N 846 116.363 116.363 118.242 -1.879 25870 8996 1 13 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.402 -0.122 25870 8997 1 13 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.585 0.819 25870 8998 1 13 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.618 -0.034 25870 8999 1 13 . 1 1 846 846 ASP H H 846 8.377 8.377 8.654 -0.277 25870 9000 1 13 . 1 1 847 847 GLU N N 847 120.577 120.577 118.147 2.430 25870 9001 1 13 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.153 -0.299 25870 9002 1 13 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.835 0.822 25870 9003 1 13 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.024 -0.364 25870 9004 1 13 . 1 1 847 847 GLU H H 847 7.855 7.855 7.632 0.223 25870 9005 1 13 . 1 1 848 848 LEU N N 848 118.714 118.714 120.193 -1.479 25870 9006 1 13 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.093 -0.271 25870 9007 1 13 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.760 0.965 25870 9008 1 13 . 1 1 848 848 LEU CB C 848 42.457 42.457 42.040 0.417 25870 9009 1 13 . 1 1 848 848 LEU H H 848 7.849 7.849 7.566 0.283 25870 9010 1 13 . 1 1 849 849 ARG N N 849 113.972 113.972 115.286 -1.314 25870 9011 1 13 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.513 -0.589 25870 9012 1 13 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.144 1.451 25870 9013 1 13 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.512 0.588 25870 9014 1 13 . 1 1 849 849 ARG H H 849 8.053 8.053 7.762 0.291 25870 9015 1 13 . 1 1 850 850 ARG N N 850 118.178 118.178 118.971 -0.793 25870 9016 1 13 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.323 -0.130 25870 9017 1 13 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.993 0.252 25870 9018 1 13 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.084 0.036 25870 9019 1 13 . 1 1 850 850 ARG H H 850 7.743 7.743 7.517 0.226 25870 9020 1 13 . 1 1 851 851 GLU N N 851 115.518 115.518 117.914 -2.396 25870 9021 1 13 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.242 0.108 25870 9022 1 13 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.534 -0.648 25870 9023 1 13 . 1 1 851 851 GLU CB C 851 31.590 31.590 30.580 1.010 25870 9024 1 13 . 1 1 851 851 GLU H H 851 7.596 7.596 7.907 -0.311 25870 9025 1 13 . 1 1 852 852 LEU N N 852 119.148 119.148 121.901 -2.753 25870 9026 1 13 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.242 -0.348 25870 9027 1 13 . 1 1 852 852 LEU CA C 852 52.174 52.174 50.717 1.457 25870 9028 1 13 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.801 0.668 25870 9029 1 13 . 1 1 852 852 LEU H H 852 7.890 7.890 7.899 -0.009 25870 9030 1 13 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.519 -0.172 25870 9031 1 13 . 1 1 853 853 PRO CA C 853 65.119 65.119 63.864 1.256 25870 9032 1 13 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.581 1.050 25870 9033 1 13 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.483 -0.213 25870 9034 1 13 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.944 4.392 25870 9035 1 13 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.181 -0.925 25870 9036 1 13 . 1 1 855 855 ASP N N 855 114.865 114.865 119.211 -4.346 25870 9037 1 13 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.438 -0.089 25870 9038 1 13 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.196 -0.283 25870 9039 1 13 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.927 -1.683 25870 9040 1 13 . 1 1 855 855 ASP H H 855 8.801 8.801 8.230 0.571 25870 9041 1 13 . 1 1 856 856 GLN N N 856 121.465 121.465 118.782 2.683 25870 9042 1 13 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.223 -0.024 25870 9043 1 13 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.538 -1.221 25870 9044 1 13 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.278 0.969 25870 9045 1 13 . 1 1 856 856 GLN H H 856 7.472 7.472 8.664 -1.192 25870 9046 1 13 . 1 1 857 857 ALA N N 857 122.805 122.805 122.143 0.662 25870 9047 1 13 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.957 -0.158 25870 9048 1 13 . 1 1 857 857 ALA CA C 857 56.303 56.303 56.015 0.288 25870 9049 1 13 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.314 -0.370 25870 9050 1 13 . 1 1 857 857 ALA H H 857 8.882 8.882 8.073 0.809 25870 9051 1 13 . 1 1 858 858 GLU N N 858 114.094 114.094 119.238 -5.144 25870 9052 1 13 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.022 0.002 25870 9053 1 13 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.873 -0.191 25870 9054 1 13 . 1 1 858 858 GLU CB C 858 28.639 28.639 28.943 -0.304 25870 9055 1 13 . 1 1 858 858 GLU H H 858 8.155 8.155 7.910 0.245 25870 9056 1 13 . 1 1 859 859 TYR N N 859 120.665 120.665 121.929 -1.264 25870 9057 1 13 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.174 -0.090 25870 9058 1 13 . 1 1 859 859 TYR CA C 859 61.006 61.006 61.022 -0.016 25870 9059 1 13 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.108 0.579 25870 9060 1 13 . 1 1 859 859 TYR H H 859 7.708 7.708 8.543 -0.835 25870 9061 1 13 . 1 1 860 860 CYS N N 860 115.812 115.812 117.431 -1.619 25870 9062 1 13 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.439 0.719 25870 9063 1 13 . 1 1 860 860 CYS CA C 860 64.254 64.254 63.740 0.514 25870 9064 1 13 . 1 1 860 860 CYS CB C 860 27.304 27.304 27.115 0.189 25870 9065 1 13 . 1 1 860 860 CYS H H 860 8.113 8.113 7.516 0.597 25870 9066 1 13 . 1 1 861 861 ILE N N 861 120.078 120.078 119.688 0.390 25870 9067 1 13 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.643 -0.304 25870 9068 1 13 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.493 0.150 25870 9069 1 13 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.793 0.921 25870 9070 1 13 . 1 1 861 861 ILE H H 861 8.453 8.453 8.062 0.391 25870 9071 1 13 . 1 1 862 862 ALA N N 862 116.691 116.691 122.788 -6.097 25870 9072 1 13 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.043 0.166 25870 9073 1 13 . 1 1 862 862 ALA CA C 862 53.222 53.222 55.078 -1.856 25870 9074 1 13 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.617 0.385 25870 9075 1 13 . 1 1 862 862 ALA H H 862 7.307 7.307 8.367 -1.060 25870 9076 1 13 . 1 1 863 863 ARG N N 863 117.226 117.226 115.357 1.869 25870 9077 1 13 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.388 -0.114 25870 9078 1 13 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.733 -0.683 25870 9079 1 13 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.620 0.769 25870 9080 1 13 . 1 1 863 863 ARG H H 863 7.358 7.358 7.623 -0.265 25870 9081 1 13 . 1 1 864 864 MET N N 864 117.583 117.583 118.392 -0.809 25870 9082 1 13 . 1 1 864 864 MET HA H 864 4.561 4.561 4.337 0.224 25870 9083 1 13 . 1 1 864 864 MET CA C 864 54.927 54.927 56.058 -1.131 25870 9084 1 13 . 1 1 864 864 MET CB C 864 37.418 37.418 34.150 3.268 25870 9085 1 13 . 1 1 864 864 MET H H 864 7.153 7.153 7.235 -0.082 25870 9086 1 13 . 1 1 865 865 ALA N N 865 124.643 124.643 126.555 -1.912 25870 9087 1 13 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.632 -0.766 25870 9088 1 13 . 1 1 865 865 ALA CA C 865 49.194 49.194 50.001 -0.807 25870 9089 1 13 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.537 0.110 25870 9090 1 13 . 1 1 865 865 ALA H H 865 8.557 8.557 8.206 0.351 25870 9091 1 13 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.549 -0.053 25870 9092 1 13 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.842 -0.118 25870 9093 1 13 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.375 1.605 25870 9094 1 13 . 1 1 867 867 TYR N N 867 122.461 122.461 126.100 -3.639 25870 9095 1 13 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.581 0.147 25870 9096 1 13 . 1 1 867 867 TYR CA C 867 57.096 57.096 57.099 -0.003 25870 9097 1 13 . 1 1 867 867 TYR CB C 867 39.175 39.175 38.566 0.608 25870 9098 1 13 . 1 1 867 867 TYR H H 867 8.128 8.128 8.111 0.017 25870 9099 1 13 . 1 1 868 868 THR HA H 868 4.351 4.351 4.613 -0.262 25870 9100 1 13 . 1 1 868 868 THR CA C 868 60.271 60.271 60.179 0.091 25870 9101 1 13 . 1 1 868 868 THR CB C 868 68.737 68.737 72.101 -3.364 25870 9102 1 13 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.032 -0.118 25870 9103 1 13 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.441 -0.112 25870 9104 1 13 . 1 1 870 870 PRO CA C 870 64.697 64.697 64.280 0.417 25870 9105 1 13 . 1 1 870 870 PRO CB C 870 31.579 31.579 31.936 -0.357 25870 9106 1 13 . 1 1 871 871 ASP N N 871 116.207 116.207 116.906 -0.699 25870 9107 1 13 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.664 -0.060 25870 9108 1 13 . 1 1 871 871 ASP CA C 871 52.749 52.749 53.557 -0.808 25870 9109 1 13 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.742 -1.813 25870 9110 1 13 . 1 1 871 871 ASP H H 871 9.267 9.267 8.241 1.026 25870 9111 1 13 . 1 1 872 872 SER N N 872 112.349 112.349 113.694 -1.345 25870 9112 1 13 . 1 1 872 872 SER HA H 872 3.497 3.497 4.585 -1.088 25870 9113 1 13 . 1 1 872 872 SER CA C 872 59.065 59.065 56.532 2.533 25870 9114 1 13 . 1 1 872 872 SER CB C 872 63.125 63.125 64.577 -1.452 25870 9115 1 13 . 1 1 872 872 SER H H 872 7.487 7.487 7.319 0.168 25870 9116 1 13 . 1 1 873 873 VAL N N 873 113.567 113.567 113.258 0.309 25870 9117 1 13 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.640 0.089 25870 9118 1 13 . 1 1 873 873 VAL CA C 873 58.044 58.044 57.846 0.198 25870 9119 1 13 . 1 1 873 873 VAL CB C 873 32.911 32.911 33.340 -0.430 25870 9120 1 13 . 1 1 873 873 VAL H H 873 6.411 6.411 8.250 -1.839 25870 9121 1 13 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.461 -0.165 25870 9122 1 13 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.696 0.639 25870 9123 1 13 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.222 0.293 25870 9124 1 13 . 1 1 875 875 GLY N N 875 112.118 112.118 107.154 4.964 25870 9125 1 13 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.703 0.854 25870 9126 1 13 . 1 1 875 875 GLY H H 875 8.800 8.800 7.866 0.934 25870 9127 1 13 . 1 1 876 876 ALA N N 876 120.262 120.262 124.032 -3.770 25870 9128 1 13 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.736 -1.636 25870 9129 1 13 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.197 2.877 25870 9130 1 13 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.812 -1.304 25870 9131 1 13 . 1 1 876 876 ALA H H 876 7.762 7.762 7.680 0.082 25870 9132 1 13 . 1 1 877 877 LEU N N 877 125.695 125.695 121.175 4.520 25870 9133 1 13 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.142 -0.366 25870 9134 1 13 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.786 0.483 25870 9135 1 13 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.190 -2.391 25870 9136 1 13 . 1 1 877 877 LEU H H 877 9.595 9.595 9.360 0.235 25870 9137 1 13 . 1 1 878 878 ASP N N 878 119.823 119.823 121.412 -1.589 25870 9138 1 13 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.468 0.411 25870 9139 1 13 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.201 -0.204 25870 9140 1 13 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.276 -0.495 25870 9141 1 13 . 1 1 878 878 ASP H H 878 9.031 9.031 8.223 0.808 25870 9142 1 13 . 1 1 879 879 TYR N N 879 126.556 126.556 124.319 2.237 25870 9143 1 13 . 1 1 879 879 TYR HA H 879 4.591 4.591 3.775 0.816 25870 9144 1 13 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.548 -0.152 25870 9145 1 13 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.235 0.086 25870 9146 1 13 . 1 1 879 879 TYR H H 879 7.456 7.456 7.828 -0.372 25870 9147 1 13 . 1 1 880 880 MET N N 880 119.958 119.958 114.688 5.270 25870 9148 1 13 . 1 1 880 880 MET HA H 880 4.605 4.605 4.683 -0.078 25870 9149 1 13 . 1 1 880 880 MET CA C 880 56.044 56.044 57.200 -1.156 25870 9150 1 13 . 1 1 880 880 MET CB C 880 30.101 30.101 33.164 -3.063 25870 9151 1 13 . 1 1 880 880 MET H H 880 7.627 7.627 7.316 0.311 25870 9152 1 13 . 1 1 881 881 SER N N 881 114.328 114.328 115.797 -1.469 25870 9153 1 13 . 1 1 881 881 SER HA H 881 4.471 4.471 4.596 -0.125 25870 9154 1 13 . 1 1 881 881 SER CA C 881 58.917 58.917 57.098 1.819 25870 9155 1 13 . 1 1 881 881 SER CB C 881 64.447 64.447 63.692 0.755 25870 9156 1 13 . 1 1 881 881 SER H H 881 7.726 7.726 8.001 -0.275 25870 9157 1 13 . 1 1 882 882 PHE N N 882 122.735 122.735 119.711 3.024 25870 9158 1 13 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.338 0.384 25870 9159 1 13 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.422 1.809 25870 9160 1 13 . 1 1 882 882 PHE CB C 882 40.285 40.285 38.954 1.331 25870 9161 1 13 . 1 1 882 882 PHE H H 882 7.385 7.385 7.305 0.080 25870 9162 1 13 . 1 1 883 883 SER N N 883 120.156 120.156 116.795 3.361 25870 9163 1 13 . 1 1 883 883 SER HA H 883 4.299 4.299 4.410 -0.111 25870 9164 1 13 . 1 1 883 883 SER CA C 883 57.280 57.280 57.727 -0.447 25870 9165 1 13 . 1 1 883 883 SER CB C 883 64.601 64.601 63.315 1.286 25870 9166 1 13 . 1 1 883 883 SER H H 883 7.472 7.472 8.543 -1.071 25870 9167 1 13 . 1 1 884 884 THR N N 884 110.683 110.683 122.522 -11.839 25870 9168 1 13 . 1 1 884 884 THR HA H 884 3.966 3.966 4.167 -0.201 25870 9169 1 13 . 1 1 884 884 THR CA C 884 63.465 63.465 63.872 -0.407 25870 9170 1 13 . 1 1 884 884 THR CB C 884 68.899 68.899 68.490 0.409 25870 9171 1 13 . 1 1 884 884 THR H H 884 7.996 7.996 8.523 -0.527 25870 9172 1 13 . 1 1 885 885 ALA N N 885 125.456 125.456 122.627 2.829 25870 9173 1 13 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.324 -0.088 25870 9174 1 13 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.698 0.332 25870 9175 1 13 . 1 1 885 885 ALA CB C 885 19.225 19.225 19.050 0.175 25870 9176 1 13 . 1 1 885 885 ALA H H 885 7.905 7.905 7.745 0.160 25870 9177 1 13 . 1 1 886 886 LEU N N 886 120.638 120.638 117.194 3.444 25870 9178 1 13 . 1 1 886 886 LEU HA H 886 4.002 4.002 3.864 0.138 25870 9179 1 13 . 1 1 886 886 LEU CA C 886 55.462 55.462 55.958 -0.496 25870 9180 1 13 . 1 1 886 886 LEU CB C 886 42.265 42.265 41.283 0.982 25870 9181 1 13 . 1 1 886 886 LEU H H 886 8.079 8.079 7.336 0.743 25870 9182 1 13 . 1 1 887 887 TYR N N 887 121.526 121.526 117.535 3.991 25870 9183 1 13 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.623 -0.267 25870 9184 1 13 . 1 1 887 887 TYR CA C 887 58.750 58.750 57.282 1.468 25870 9185 1 13 . 1 1 887 887 TYR CB C 887 38.569 38.569 36.099 2.470 25870 9186 1 13 . 1 1 887 887 TYR H H 887 8.267 8.267 7.851 0.416 25870 9187 1 13 . 1 1 888 888 GLY N N 888 112.379 112.379 109.418 2.961 25870 9188 1 13 . 1 1 888 888 GLY CA C 888 45.090 45.090 45.092 -0.002 25870 9189 1 13 . 1 1 888 888 GLY H H 888 8.087 8.087 7.983 0.104 25870 9190 1 13 . 1 1 889 889 GLU N N 889 120.255 120.255 121.678 -1.423 25870 9191 1 13 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.487 -0.231 25870 9192 1 13 . 1 1 889 889 GLU CA C 889 56.445 56.445 56.681 -0.236 25870 9193 1 13 . 1 1 889 889 GLU CB C 889 30.393 30.393 30.148 0.245 25870 9194 1 13 . 1 1 889 889 GLU H H 889 7.994 7.994 8.048 -0.054 25870 9195 1 13 . 1 1 890 890 SER N N 890 116.375 116.375 120.440 -4.065 25870 9196 1 13 . 1 1 890 890 SER HA H 890 4.415 4.415 4.691 -0.276 25870 9197 1 13 . 1 1 890 890 SER CA C 890 58.204 58.204 57.912 0.292 25870 9198 1 13 . 1 1 890 890 SER CB C 890 63.913 63.913 64.745 -0.832 25870 9199 1 13 . 1 1 890 890 SER H H 890 8.329 8.329 8.358 -0.029 25870 9200 1 13 . 1 1 891 891 ASP N N 891 123.017 123.017 121.241 1.776 25870 9201 1 13 . 1 1 891 891 ASP HA H 891 4.610 4.610 5.375 -0.765 25870 9202 1 13 . 1 1 891 891 ASP CA C 891 54.371 54.371 53.737 0.634 25870 9203 1 13 . 1 1 891 891 ASP CB C 891 41.013 41.013 42.712 -1.699 25870 9204 1 13 . 1 1 891 891 ASP H H 891 8.394 8.394 8.965 -0.571 25870 9205 1 14 . 1 1 742 742 SER HA H 742 4.525 4.525 4.067 0.458 25870 9206 1 14 . 1 1 742 742 SER CA C 742 58.148 58.148 60.116 -1.968 25870 9207 1 14 . 1 1 742 742 SER CB C 742 63.791 63.791 63.203 0.588 25870 9208 1 14 . 1 1 743 743 ILE N N 743 122.172 122.172 120.990 1.182 25870 9209 1 14 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.160 0.202 25870 9210 1 14 . 1 1 743 743 ILE CA C 743 60.421 60.421 62.014 -1.593 25870 9211 1 14 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.464 0.702 25870 9212 1 14 . 1 1 743 743 ILE H H 743 8.132 8.132 8.489 -0.357 25870 9213 1 14 . 1 1 744 744 SER N N 744 123.144 123.144 120.706 2.438 25870 9214 1 14 . 1 1 744 744 SER HA H 744 4.449 4.449 4.583 -0.134 25870 9215 1 14 . 1 1 744 744 SER CA C 744 57.463 57.463 56.867 0.596 25870 9216 1 14 . 1 1 744 744 SER CB C 744 65.219 65.219 64.872 0.347 25870 9217 1 14 . 1 1 744 744 SER H H 744 8.848 8.848 8.585 0.263 25870 9218 1 14 . 1 1 745 745 GLN N N 745 121.619 121.619 123.887 -2.268 25870 9219 1 14 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.110 -0.158 25870 9220 1 14 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.195 -0.427 25870 9221 1 14 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.680 -0.168 25870 9222 1 14 . 1 1 745 745 GLN H H 745 9.042 9.042 8.977 0.065 25870 9223 1 14 . 1 1 746 746 GLU N N 746 118.648 118.648 119.272 -0.624 25870 9224 1 14 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.152 -0.148 25870 9225 1 14 . 1 1 746 746 GLU CA C 746 60.223 60.223 59.144 1.079 25870 9226 1 14 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.583 -0.729 25870 9227 1 14 . 1 1 746 746 GLU H H 746 8.721 8.721 7.704 1.017 25870 9228 1 14 . 1 1 747 747 GLN N N 747 120.463 120.463 120.069 0.394 25870 9229 1 14 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.434 -0.668 25870 9230 1 14 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.769 -0.463 25870 9231 1 14 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.162 0.786 25870 9232 1 14 . 1 1 747 747 GLN H H 747 7.838 7.838 8.477 -0.639 25870 9233 1 14 . 1 1 748 748 MET N N 748 119.252 119.252 115.353 3.899 25870 9234 1 14 . 1 1 748 748 MET HA H 748 4.200 4.200 4.487 -0.287 25870 9235 1 14 . 1 1 748 748 MET CA C 748 58.096 58.096 59.186 -1.090 25870 9236 1 14 . 1 1 748 748 MET CB C 748 30.900 30.900 32.437 -1.537 25870 9237 1 14 . 1 1 748 748 MET H H 748 8.473 8.473 8.287 0.186 25870 9238 1 14 . 1 1 749 749 ASN N N 749 117.740 117.740 118.470 -0.730 25870 9239 1 14 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.576 -0.102 25870 9240 1 14 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.768 0.027 25870 9241 1 14 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.767 -1.354 25870 9242 1 14 . 1 1 749 749 ASN H H 749 8.334 8.334 7.719 0.615 25870 9243 1 14 . 1 1 750 750 GLU N N 750 122.848 122.848 119.169 3.679 25870 9244 1 14 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.217 -0.013 25870 9245 1 14 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.388 0.953 25870 9246 1 14 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.737 -0.553 25870 9247 1 14 . 1 1 750 750 GLU H H 750 7.838 7.838 8.489 -0.651 25870 9248 1 14 . 1 1 751 751 PHE N N 751 120.177 120.177 121.984 -1.807 25870 9249 1 14 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.476 0.545 25870 9250 1 14 . 1 1 751 751 PHE CA C 751 58.353 58.353 58.614 -0.261 25870 9251 1 14 . 1 1 751 751 PHE CB C 751 37.797 37.797 40.252 -2.455 25870 9252 1 14 . 1 1 751 751 PHE H H 751 8.785 8.785 8.263 0.522 25870 9253 1 14 . 1 1 752 752 ARG N N 752 120.528 120.528 121.237 -0.709 25870 9254 1 14 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.958 0.202 25870 9255 1 14 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.463 1.241 25870 9256 1 14 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.677 1.291 25870 9257 1 14 . 1 1 752 752 ARG H H 752 9.016 9.016 8.450 0.566 25870 9258 1 14 . 1 1 753 753 ALA N N 753 121.112 121.112 123.031 -1.919 25870 9259 1 14 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.428 -0.183 25870 9260 1 14 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.424 0.907 25870 9261 1 14 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.789 0.034 25870 9262 1 14 . 1 1 753 753 ALA H H 753 8.100 8.100 7.913 0.187 25870 9263 1 14 . 1 1 754 754 SER N N 754 115.589 115.589 115.507 0.082 25870 9264 1 14 . 1 1 754 754 SER HA H 754 4.452 4.452 4.089 0.363 25870 9265 1 14 . 1 1 754 754 SER CA C 754 62.675 62.675 59.955 2.720 25870 9266 1 14 . 1 1 754 754 SER CB C 754 63.359 63.359 62.526 0.833 25870 9267 1 14 . 1 1 754 754 SER H H 754 8.391 8.391 7.721 0.670 25870 9268 1 14 . 1 1 755 755 PHE N N 755 121.886 121.886 118.228 3.658 25870 9269 1 14 . 1 1 755 755 PHE HA H 755 3.642 3.642 4.257 -0.615 25870 9270 1 14 . 1 1 755 755 PHE CA C 755 61.964 61.964 59.693 2.271 25870 9271 1 14 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.847 0.975 25870 9272 1 14 . 1 1 755 755 PHE H H 755 8.675 8.675 7.914 0.761 25870 9273 1 14 . 1 1 756 756 ASN N N 756 113.618 113.618 112.687 0.931 25870 9274 1 14 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.184 0.243 25870 9275 1 14 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.374 3.237 25870 9276 1 14 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.730 -0.892 25870 9277 1 14 . 1 1 756 756 ASN H H 756 8.593 8.593 7.413 1.180 25870 9278 1 14 . 1 1 757 757 HIS N N 757 119.679 119.679 120.192 -0.513 25870 9279 1 14 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.260 -0.181 25870 9280 1 14 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.684 0.660 25870 9281 1 14 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.104 -0.215 25870 9282 1 14 . 1 1 757 757 HIS H H 757 8.139 8.139 7.201 0.938 25870 9283 1 14 . 1 1 758 758 PHE N N 758 113.051 113.051 116.510 -3.459 25870 9284 1 14 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.655 -0.594 25870 9285 1 14 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.406 2.291 25870 9286 1 14 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.754 -2.019 25870 9287 1 14 . 1 1 758 758 PHE H H 758 7.585 7.585 7.607 -0.022 25870 9288 1 14 . 1 1 759 759 ASP N N 759 120.916 120.916 121.805 -0.889 25870 9289 1 14 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.474 0.035 25870 9290 1 14 . 1 1 759 759 ASP CA C 759 52.171 52.171 55.219 -3.048 25870 9291 1 14 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.827 -2.818 25870 9292 1 14 . 1 1 759 759 ASP H H 759 7.423 7.423 8.046 -0.623 25870 9293 1 14 . 1 1 760 760 ARG N N 760 124.819 124.819 126.063 -1.244 25870 9294 1 14 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.096 -0.328 25870 9295 1 14 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.549 -0.274 25870 9296 1 14 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.682 -0.433 25870 9297 1 14 . 1 1 760 760 ARG H H 760 7.781 7.781 8.301 -0.520 25870 9298 1 14 . 1 1 761 761 ASP N N 761 113.673 113.673 112.923 0.750 25870 9299 1 14 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.730 -0.247 25870 9300 1 14 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.279 -1.302 25870 9301 1 14 . 1 1 761 761 ASP CB C 761 39.522 39.522 41.275 -1.753 25870 9302 1 14 . 1 1 761 761 ASP H H 761 7.821 7.821 8.102 -0.281 25870 9303 1 14 . 1 1 762 762 HIS N N 762 114.966 114.966 117.030 -2.064 25870 9304 1 14 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.345 -0.184 25870 9305 1 14 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.852 -0.234 25870 9306 1 14 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.707 -2.327 25870 9307 1 14 . 1 1 762 762 HIS H H 762 7.744 7.744 8.066 -0.322 25870 9308 1 14 . 1 1 763 763 SER N N 763 115.077 115.077 113.328 1.749 25870 9309 1 14 . 1 1 763 763 SER HA H 763 4.336 4.336 4.373 -0.037 25870 9310 1 14 . 1 1 763 763 SER CA C 763 59.860 59.860 59.318 0.542 25870 9311 1 14 . 1 1 763 763 SER CB C 763 65.192 65.192 64.274 0.918 25870 9312 1 14 . 1 1 763 763 SER H H 763 8.726 8.726 8.197 0.529 25870 9313 1 14 . 1 1 764 764 GLY N N 764 116.915 116.915 110.632 6.283 25870 9314 1 14 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.556 -0.107 25870 9315 1 14 . 1 1 764 764 GLY H H 764 11.017 11.017 9.031 1.986 25870 9316 1 14 . 1 1 765 765 THR N N 765 107.334 107.334 109.700 -2.366 25870 9317 1 14 . 1 1 765 765 THR HA H 765 4.829 4.829 5.056 -0.227 25870 9318 1 14 . 1 1 765 765 THR CA C 765 58.759 58.759 60.046 -1.287 25870 9319 1 14 . 1 1 765 765 THR CB C 765 73.383 73.383 72.120 1.263 25870 9320 1 14 . 1 1 765 765 THR H H 765 7.693 7.693 7.791 -0.098 25870 9321 1 14 . 1 1 766 766 LEU N N 766 124.664 124.664 121.279 3.385 25870 9322 1 14 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.995 -0.095 25870 9323 1 14 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.448 -1.109 25870 9324 1 14 . 1 1 766 766 LEU CB C 766 42.339 42.339 44.602 -2.263 25870 9325 1 14 . 1 1 766 766 LEU H H 766 9.209 9.209 8.410 0.799 25870 9326 1 14 . 1 1 767 767 GLY N N 767 112.024 112.024 109.172 2.852 25870 9327 1 14 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.828 0.295 25870 9328 1 14 . 1 1 767 767 GLY H H 767 8.910 8.910 8.968 -0.058 25870 9329 1 14 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.558 -0.240 25870 9330 1 14 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.084 1.044 25870 9331 1 14 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.283 -0.254 25870 9332 1 14 . 1 1 769 769 GLU N N 769 115.246 115.246 118.097 -2.851 25870 9333 1 14 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.137 -0.166 25870 9334 1 14 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.934 0.687 25870 9335 1 14 . 1 1 769 769 GLU CB C 769 28.628 28.628 29.483 -0.855 25870 9336 1 14 . 1 1 769 769 GLU H H 769 8.622 8.622 8.945 -0.323 25870 9337 1 14 . 1 1 770 770 GLU N N 770 121.127 121.127 118.126 3.001 25870 9338 1 14 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.255 0.017 25870 9339 1 14 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.400 0.097 25870 9340 1 14 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.948 1.424 25870 9341 1 14 . 1 1 770 770 GLU H H 770 7.493 7.493 7.982 -0.489 25870 9342 1 14 . 1 1 771 771 PHE N N 771 117.688 117.688 122.540 -4.852 25870 9343 1 14 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.231 0.123 25870 9344 1 14 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.767 -2.142 25870 9345 1 14 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.143 -0.333 25870 9346 1 14 . 1 1 771 771 PHE H H 771 9.110 9.110 8.950 0.160 25870 9347 1 14 . 1 1 772 772 LYS N N 772 119.789 119.789 118.678 1.111 25870 9348 1 14 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.740 -0.427 25870 9349 1 14 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.364 2.308 25870 9350 1 14 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.904 1.075 25870 9351 1 14 . 1 1 772 772 LYS H H 772 8.594 8.594 8.060 0.534 25870 9352 1 14 . 1 1 773 773 ALA N N 773 118.461 118.461 120.839 -2.378 25870 9353 1 14 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.007 -0.126 25870 9354 1 14 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.802 1.211 25870 9355 1 14 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.959 -1.330 25870 9356 1 14 . 1 1 773 773 ALA H H 773 7.231 7.231 7.701 -0.470 25870 9357 1 14 . 1 1 774 774 CYS N N 774 120.913 120.913 119.503 1.410 25870 9358 1 14 . 1 1 774 774 CYS HA H 774 2.435 2.435 3.369 -0.934 25870 9359 1 14 . 1 1 774 774 CYS CA C 774 61.174 61.174 62.361 -1.187 25870 9360 1 14 . 1 1 774 774 CYS CB C 774 26.215 26.215 27.291 -1.076 25870 9361 1 14 . 1 1 774 774 CYS H H 774 7.498 7.498 7.789 -0.291 25870 9362 1 14 . 1 1 775 775 LEU N N 775 119.201 119.201 118.856 0.345 25870 9363 1 14 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.503 0.263 25870 9364 1 14 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.629 1.303 25870 9365 1 14 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.274 -0.324 25870 9366 1 14 . 1 1 775 775 LEU H H 775 8.372 8.372 7.816 0.556 25870 9367 1 14 . 1 1 776 776 ILE N N 776 121.051 121.051 118.340 2.711 25870 9368 1 14 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.472 1.618 25870 9369 1 14 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.167 1.077 25870 9370 1 14 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.229 0.762 25870 9371 1 14 . 1 1 776 776 ILE H H 776 8.358 8.358 6.685 1.673 25870 9372 1 14 . 1 1 777 777 SER N N 777 119.109 119.109 113.096 6.013 25870 9373 1 14 . 1 1 777 777 SER HA H 777 4.291 4.291 4.132 0.159 25870 9374 1 14 . 1 1 777 777 SER CA C 777 61.725 61.725 59.492 2.233 25870 9375 1 14 . 1 1 777 777 SER CB C 777 62.995 62.995 63.183 -0.188 25870 9376 1 14 . 1 1 777 777 SER H H 777 7.822 7.822 7.217 0.605 25870 9377 1 14 . 1 1 778 778 LEU N N 778 121.208 121.208 117.302 3.906 25870 9378 1 14 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.316 0.190 25870 9379 1 14 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.660 1.339 25870 9380 1 14 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.277 0.393 25870 9381 1 14 . 1 1 778 778 LEU H H 778 7.671 7.671 7.028 0.643 25870 9382 1 14 . 1 1 779 779 GLY N N 779 106.232 106.232 107.168 -0.936 25870 9383 1 14 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.004 0.283 25870 9384 1 14 . 1 1 779 779 GLY H H 779 7.897 7.897 7.187 0.710 25870 9385 1 14 . 1 1 780 780 TYR N N 780 120.772 120.772 118.043 2.729 25870 9386 1 14 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.610 -0.468 25870 9387 1 14 . 1 1 780 780 TYR CA C 780 59.231 59.231 54.764 4.467 25870 9388 1 14 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.644 -0.303 25870 9389 1 14 . 1 1 780 780 TYR H H 780 8.072 8.072 7.402 0.670 25870 9390 1 14 . 1 1 781 781 ASP N N 781 124.304 124.304 119.014 5.290 25870 9391 1 14 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.602 0.063 25870 9392 1 14 . 1 1 781 781 ASP CA C 781 53.148 53.148 54.529 -1.381 25870 9393 1 14 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.385 -0.581 25870 9394 1 14 . 1 1 781 781 ASP H H 781 8.862 8.862 9.043 -0.181 25870 9395 1 14 . 1 1 782 782 ILE N N 782 122.271 122.271 112.465 9.806 25870 9396 1 14 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.464 -0.123 25870 9397 1 14 . 1 1 782 782 ILE CA C 782 58.992 58.992 58.966 0.026 25870 9398 1 14 . 1 1 782 782 ILE CB C 782 37.907 37.907 41.994 -4.087 25870 9399 1 14 . 1 1 782 782 ILE H H 782 7.344 7.344 6.887 0.457 25870 9400 1 14 . 1 1 783 783 GLY N N 783 112.322 112.322 106.108 6.214 25870 9401 1 14 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.276 0.247 25870 9402 1 14 . 1 1 783 783 GLY H H 783 8.122 8.122 8.210 -0.088 25870 9403 1 14 . 1 1 784 784 ASN N N 784 118.727 118.727 117.446 1.281 25870 9404 1 14 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.650 0.232 25870 9405 1 14 . 1 1 784 784 ASN CA C 784 52.098 52.098 53.090 -0.993 25870 9406 1 14 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.532 -1.109 25870 9407 1 14 . 1 1 784 784 ASN H H 784 8.452 8.452 8.517 -0.065 25870 9408 1 14 . 1 1 785 785 ASP N N 785 119.826 119.826 122.418 -2.592 25870 9409 1 14 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.682 0.096 25870 9410 1 14 . 1 1 785 785 ASP CA C 785 52.164 52.164 53.100 -0.936 25870 9411 1 14 . 1 1 785 785 ASP CB C 785 39.657 39.657 40.774 -1.117 25870 9412 1 14 . 1 1 785 785 ASP H H 785 8.145 8.145 7.830 0.315 25870 9413 1 14 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.222 0.049 25870 9414 1 14 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.385 0.880 25870 9415 1 14 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.160 -0.148 25870 9416 1 14 . 1 1 787 787 GLN N N 787 118.097 118.097 117.567 0.530 25870 9417 1 14 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.206 -0.065 25870 9418 1 14 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.209 0.906 25870 9419 1 14 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.284 -0.551 25870 9420 1 14 . 1 1 787 787 GLN H H 787 8.409 8.409 8.371 0.038 25870 9421 1 14 . 1 1 788 788 GLY N N 788 113.421 113.421 109.187 4.234 25870 9422 1 14 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.875 0.442 25870 9423 1 14 . 1 1 788 788 GLY H H 788 8.644 8.644 8.431 0.213 25870 9424 1 14 . 1 1 789 789 GLU N N 789 121.223 121.223 121.687 -0.464 25870 9425 1 14 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.246 -0.098 25870 9426 1 14 . 1 1 789 789 GLU CA C 789 59.344 59.344 58.979 0.365 25870 9427 1 14 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.707 -0.272 25870 9428 1 14 . 1 1 789 789 GLU H H 789 8.514 8.514 8.560 -0.046 25870 9429 1 14 . 1 1 790 790 ALA N N 790 122.879 122.879 122.765 0.114 25870 9430 1 14 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.192 0.055 25870 9431 1 14 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.090 -0.183 25870 9432 1 14 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.327 -0.547 25870 9433 1 14 . 1 1 790 790 ALA H H 790 8.024 8.024 7.635 0.389 25870 9434 1 14 . 1 1 791 791 GLU N N 791 122.622 122.622 119.196 3.426 25870 9435 1 14 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.087 0.600 25870 9436 1 14 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.742 -0.609 25870 9437 1 14 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.496 -0.435 25870 9438 1 14 . 1 1 791 791 GLU H H 791 8.280 8.280 7.924 0.356 25870 9439 1 14 . 1 1 792 792 PHE N N 792 119.949 119.949 120.938 -0.989 25870 9440 1 14 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.249 -0.211 25870 9441 1 14 . 1 1 792 792 PHE CA C 792 61.812 61.812 60.958 0.854 25870 9442 1 14 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.634 -0.036 25870 9443 1 14 . 1 1 792 792 PHE H H 792 8.722 8.722 8.802 -0.080 25870 9444 1 14 . 1 1 793 793 ALA N N 793 119.652 119.652 121.782 -2.130 25870 9445 1 14 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.311 0.543 25870 9446 1 14 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.557 0.345 25870 9447 1 14 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.842 -0.214 25870 9448 1 14 . 1 1 793 793 ALA H H 793 8.163 8.163 7.950 0.213 25870 9449 1 14 . 1 1 794 794 ARG N N 794 121.092 121.092 119.328 1.764 25870 9450 1 14 . 1 1 794 794 ARG HA H 794 3.910 3.910 3.988 -0.078 25870 9451 1 14 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.146 0.325 25870 9452 1 14 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.207 -0.115 25870 9453 1 14 . 1 1 794 794 ARG H H 794 8.034 8.034 7.525 0.509 25870 9454 1 14 . 1 1 795 795 ILE N N 795 121.394 121.394 120.784 0.610 25870 9455 1 14 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.721 -0.333 25870 9456 1 14 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.185 0.663 25870 9457 1 14 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.157 0.052 25870 9458 1 14 . 1 1 795 795 ILE H H 795 8.049 8.049 7.768 0.281 25870 9459 1 14 . 1 1 796 796 MET N N 796 119.012 119.012 117.019 1.993 25870 9460 1 14 . 1 1 796 796 MET HA H 796 4.155 4.155 3.996 0.159 25870 9461 1 14 . 1 1 796 796 MET CA C 796 56.470 56.470 57.722 -1.252 25870 9462 1 14 . 1 1 796 796 MET CB C 796 29.892 29.892 31.499 -1.607 25870 9463 1 14 . 1 1 796 796 MET H H 796 8.589 8.589 8.194 0.395 25870 9464 1 14 . 1 1 797 797 SER N N 797 114.132 114.132 112.646 1.486 25870 9465 1 14 . 1 1 797 797 SER HA H 797 4.097 4.097 4.329 -0.232 25870 9466 1 14 . 1 1 797 797 SER CA C 797 61.231 61.231 60.088 1.143 25870 9467 1 14 . 1 1 797 797 SER CB C 797 62.895 62.895 63.528 -0.633 25870 9468 1 14 . 1 1 797 797 SER H H 797 7.732 7.732 7.547 0.185 25870 9469 1 14 . 1 1 798 798 ILE N N 798 120.873 120.873 118.018 2.855 25870 9470 1 14 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.139 -0.321 25870 9471 1 14 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.502 0.373 25870 9472 1 14 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.480 0.383 25870 9473 1 14 . 1 1 798 798 ILE H H 798 7.352 7.352 7.535 -0.183 25870 9474 1 14 . 1 1 799 799 VAL N N 799 110.552 110.552 112.797 -2.245 25870 9475 1 14 . 1 1 799 799 VAL HA H 799 4.243 4.243 3.978 0.265 25870 9476 1 14 . 1 1 799 799 VAL CA C 799 62.616 62.616 61.122 1.494 25870 9477 1 14 . 1 1 799 799 VAL CB C 799 32.416 32.416 30.492 1.924 25870 9478 1 14 . 1 1 799 799 VAL H H 799 7.648 7.648 7.902 -0.254 25870 9479 1 14 . 1 1 800 800 ASP N N 800 119.435 119.435 120.452 -1.017 25870 9480 1 14 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.119 0.106 25870 9481 1 14 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.261 1.454 25870 9482 1 14 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.197 -0.111 25870 9483 1 14 . 1 1 800 800 ASP H H 800 8.074 8.074 7.424 0.650 25870 9484 1 14 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.456 -0.125 25870 9485 1 14 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.988 0.831 25870 9486 1 14 . 1 1 801 801 PRO CB C 801 31.689 31.689 31.906 -0.217 25870 9487 1 14 . 1 1 802 802 ASN N N 802 115.164 115.164 116.107 -0.943 25870 9488 1 14 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.693 0.067 25870 9489 1 14 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.829 0.169 25870 9490 1 14 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.705 -1.753 25870 9491 1 14 . 1 1 802 802 ASN H H 802 8.949 8.949 7.795 1.154 25870 9492 1 14 . 1 1 803 803 ARG N N 803 117.446 117.446 116.322 1.124 25870 9493 1 14 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.216 -0.386 25870 9494 1 14 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.958 -0.070 25870 9495 1 14 . 1 1 803 803 ARG CB C 803 26.354 26.354 26.996 -0.642 25870 9496 1 14 . 1 1 803 803 ARG H H 803 7.958 7.958 7.978 -0.020 25870 9497 1 14 . 1 1 804 804 LEU N N 804 123.307 123.307 115.241 8.066 25870 9498 1 14 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.686 -0.530 25870 9499 1 14 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.599 1.774 25870 9500 1 14 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.733 1.196 25870 9501 1 14 . 1 1 804 804 LEU H H 804 10.591 10.591 8.249 2.342 25870 9502 1 14 . 1 1 805 805 GLY N N 805 110.516 110.516 107.656 2.860 25870 9503 1 14 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.833 -0.889 25870 9504 1 14 . 1 1 805 805 GLY H H 805 11.001 11.001 8.725 2.276 25870 9505 1 14 . 1 1 806 806 VAL N N 806 109.840 109.840 115.318 -5.478 25870 9506 1 14 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.671 -0.100 25870 9507 1 14 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.803 -1.236 25870 9508 1 14 . 1 1 806 806 VAL CB C 806 36.853 36.853 35.152 1.701 25870 9509 1 14 . 1 1 806 806 VAL H H 806 6.831 6.831 7.314 -0.483 25870 9510 1 14 . 1 1 807 807 VAL N N 807 122.184 122.184 122.005 0.179 25870 9511 1 14 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.502 -0.335 25870 9512 1 14 . 1 1 807 807 VAL CA C 807 61.644 61.644 59.461 2.183 25870 9513 1 14 . 1 1 807 807 VAL CB C 807 32.383 32.383 31.988 0.395 25870 9514 1 14 . 1 1 807 807 VAL H H 807 9.007 9.007 8.682 0.325 25870 9515 1 14 . 1 1 808 808 THR N N 808 117.391 117.391 118.096 -0.705 25870 9516 1 14 . 1 1 808 808 THR HA H 808 4.593 4.593 4.475 0.118 25870 9517 1 14 . 1 1 808 808 THR CA C 808 60.615 60.615 58.458 2.158 25870 9518 1 14 . 1 1 808 808 THR CB C 808 70.695 70.695 70.653 0.041 25870 9519 1 14 . 1 1 808 808 THR H H 808 7.925 7.925 7.308 0.617 25870 9520 1 14 . 1 1 809 809 PHE N N 809 122.236 122.236 118.306 3.930 25870 9521 1 14 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.615 -0.975 25870 9522 1 14 . 1 1 809 809 PHE CA C 809 61.749 61.749 60.936 0.813 25870 9523 1 14 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.615 0.562 25870 9524 1 14 . 1 1 809 809 PHE H H 809 9.349 9.349 7.874 1.475 25870 9525 1 14 . 1 1 810 810 GLN N N 810 116.788 116.788 116.727 0.061 25870 9526 1 14 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.221 -0.623 25870 9527 1 14 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.699 0.883 25870 9528 1 14 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.564 -0.365 25870 9529 1 14 . 1 1 810 810 GLN H H 810 8.572 8.572 7.972 0.600 25870 9530 1 14 . 1 1 811 811 ALA N N 811 121.208 121.208 122.676 -1.468 25870 9531 1 14 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.157 -0.038 25870 9532 1 14 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.879 1.032 25870 9533 1 14 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.698 0.567 25870 9534 1 14 . 1 1 811 811 ALA H H 811 7.667 7.667 7.819 -0.152 25870 9535 1 14 . 1 1 812 812 PHE N N 812 119.805 119.805 118.714 1.091 25870 9536 1 14 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.292 -0.312 25870 9537 1 14 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.307 -0.567 25870 9538 1 14 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.523 1.147 25870 9539 1 14 . 1 1 812 812 PHE H H 812 8.400 8.400 8.361 0.039 25870 9540 1 14 . 1 1 813 813 ILE N N 813 118.098 118.098 117.838 0.260 25870 9541 1 14 . 1 1 813 813 ILE HA H 813 3.146 3.146 4.095 -0.949 25870 9542 1 14 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.625 0.674 25870 9543 1 14 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.415 -0.213 25870 9544 1 14 . 1 1 813 813 ILE H H 813 8.364 8.364 7.883 0.481 25870 9545 1 14 . 1 1 814 814 ASP N N 814 123.528 123.528 120.618 2.910 25870 9546 1 14 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.402 -0.206 25870 9547 1 14 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.434 0.246 25870 9548 1 14 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.673 -0.437 25870 9549 1 14 . 1 1 814 814 ASP H H 814 8.221 8.221 7.885 0.336 25870 9550 1 14 . 1 1 815 815 PHE N N 815 120.584 120.584 120.578 0.006 25870 9551 1 14 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.548 -0.419 25870 9552 1 14 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.833 0.251 25870 9553 1 14 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.730 -0.032 25870 9554 1 14 . 1 1 815 815 PHE H H 815 7.887 7.887 7.987 -0.100 25870 9555 1 14 . 1 1 816 816 MET N N 816 116.960 116.960 120.751 -3.791 25870 9556 1 14 . 1 1 816 816 MET HA H 816 3.782 3.782 4.118 -0.336 25870 9557 1 14 . 1 1 816 816 MET CA C 816 55.662 55.662 57.520 -1.858 25870 9558 1 14 . 1 1 816 816 MET CB C 816 30.033 30.033 31.423 -1.390 25870 9559 1 14 . 1 1 816 816 MET H H 816 8.372 8.372 8.215 0.157 25870 9560 1 14 . 1 1 817 817 SER N N 817 114.277 114.277 114.479 -0.202 25870 9561 1 14 . 1 1 817 817 SER HA H 817 4.194 4.194 4.310 -0.116 25870 9562 1 14 . 1 1 817 817 SER CA C 817 60.521 60.521 60.865 -0.344 25870 9563 1 14 . 1 1 817 817 SER CB C 817 63.185 63.185 62.971 0.214 25870 9564 1 14 . 1 1 817 817 SER H H 817 8.074 8.074 8.256 -0.182 25870 9565 1 14 . 1 1 818 818 ARG N N 818 121.493 121.493 119.692 1.801 25870 9566 1 14 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.231 -0.107 25870 9567 1 14 . 1 1 818 818 ARG CA C 818 57.684 57.684 56.170 1.514 25870 9568 1 14 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.142 1.173 25870 9569 1 14 . 1 1 818 818 ARG H H 818 7.288 7.288 8.208 -0.920 25870 9570 1 14 . 1 1 819 819 GLU N N 819 119.737 119.737 118.353 1.384 25870 9571 1 14 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.027 0.074 25870 9572 1 14 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.905 -1.839 25870 9573 1 14 . 1 1 819 819 GLU CB C 819 30.491 30.491 28.930 1.561 25870 9574 1 14 . 1 1 819 819 GLU H H 819 8.045 8.045 7.610 0.435 25870 9575 1 14 . 1 1 820 820 THR N N 820 112.128 112.128 110.485 1.643 25870 9576 1 14 . 1 1 820 820 THR HA H 820 4.280 4.280 4.012 0.268 25870 9577 1 14 . 1 1 820 820 THR CA C 820 62.055 62.055 62.981 -0.926 25870 9578 1 14 . 1 1 820 820 THR CB C 820 69.828 69.828 68.782 1.046 25870 9579 1 14 . 1 1 820 820 THR H H 820 7.760 7.760 7.538 0.222 25870 9580 1 14 . 1 1 821 821 ALA N N 821 126.098 126.098 124.607 1.491 25870 9581 1 14 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.271 0.013 25870 9582 1 14 . 1 1 821 821 ALA CA C 821 52.726 52.726 53.148 -0.422 25870 9583 1 14 . 1 1 821 821 ALA CB C 821 19.304 19.304 20.090 -0.786 25870 9584 1 14 . 1 1 821 821 ALA H H 821 7.957 7.957 7.491 0.466 25870 9585 1 14 . 1 1 822 822 ASP N N 822 119.904 119.904 115.171 4.733 25870 9586 1 14 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.748 -0.135 25870 9587 1 14 . 1 1 822 822 ASP CA C 822 54.335 54.335 53.856 0.479 25870 9588 1 14 . 1 1 822 822 ASP CB C 822 41.032 41.032 43.208 -2.176 25870 9589 1 14 . 1 1 822 822 ASP H H 822 8.352 8.352 7.961 0.391 25870 9590 1 14 . 1 1 823 823 THR N N 823 114.142 114.142 117.865 -3.723 25870 9591 1 14 . 1 1 823 823 THR HA H 823 4.278 4.278 4.581 -0.303 25870 9592 1 14 . 1 1 823 823 THR CA C 823 62.117 62.117 61.592 0.525 25870 9593 1 14 . 1 1 823 823 THR CB C 823 69.584 69.584 71.587 -2.003 25870 9594 1 14 . 1 1 823 823 THR H H 823 8.079 8.079 7.938 0.141 25870 9595 1 14 . 1 1 824 824 ASP N N 824 123.261 123.261 123.329 -0.068 25870 9596 1 14 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.460 0.197 25870 9597 1 14 . 1 1 824 824 ASP CA C 824 54.786 54.786 56.999 -2.213 25870 9598 1 14 . 1 1 824 824 ASP CB C 824 41.085 41.085 41.067 0.018 25870 9599 1 14 . 1 1 824 824 ASP H H 824 8.431 8.431 8.825 -0.394 25870 9600 1 14 . 1 1 825 825 THR N N 825 114.932 114.932 111.465 3.467 25870 9601 1 14 . 1 1 825 825 THR HA H 825 4.161 4.161 4.308 -0.147 25870 9602 1 14 . 1 1 825 825 THR CA C 825 63.109 63.109 64.059 -0.950 25870 9603 1 14 . 1 1 825 825 THR CB C 825 69.455 69.455 69.025 0.430 25870 9604 1 14 . 1 1 825 825 THR H H 825 8.155 8.155 8.528 -0.373 25870 9605 1 14 . 1 1 826 826 ALA N N 826 124.961 124.961 124.379 0.582 25870 9606 1 14 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.110 0.050 25870 9607 1 14 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.358 0.034 25870 9608 1 14 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.289 0.321 25870 9609 1 14 . 1 1 826 826 ALA H H 826 8.379 8.379 7.526 0.853 25870 9610 1 14 . 1 1 827 827 ASP N N 827 117.765 117.765 117.943 -0.178 25870 9611 1 14 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.370 0.055 25870 9612 1 14 . 1 1 827 827 ASP CA C 827 56.051 56.051 56.987 -0.936 25870 9613 1 14 . 1 1 827 827 ASP CB C 827 40.559 40.559 41.105 -0.546 25870 9614 1 14 . 1 1 827 827 ASP H H 827 8.250 8.250 7.821 0.429 25870 9615 1 14 . 1 1 828 828 GLN N N 828 120.523 120.523 118.340 2.183 25870 9616 1 14 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.089 0.002 25870 9617 1 14 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.224 -0.410 25870 9618 1 14 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.837 -0.288 25870 9619 1 14 . 1 1 828 828 GLN H H 828 8.076 8.076 7.742 0.334 25870 9620 1 14 . 1 1 829 829 VAL N N 829 120.970 120.970 121.392 -0.422 25870 9621 1 14 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.795 -0.270 25870 9622 1 14 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.278 0.915 25870 9623 1 14 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.364 0.177 25870 9624 1 14 . 1 1 829 829 VAL H H 829 8.051 8.051 7.409 0.642 25870 9625 1 14 . 1 1 830 830 MET N N 830 119.572 119.572 118.753 0.819 25870 9626 1 14 . 1 1 830 830 MET HA H 830 4.006 4.006 3.921 0.085 25870 9627 1 14 . 1 1 830 830 MET CA C 830 57.977 57.977 57.923 0.054 25870 9628 1 14 . 1 1 830 830 MET CB C 830 31.995 31.995 31.649 0.346 25870 9629 1 14 . 1 1 830 830 MET H H 830 8.110 8.110 7.759 0.351 25870 9630 1 14 . 1 1 831 831 ALA N N 831 121.059 121.059 120.653 0.406 25870 9631 1 14 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.352 0.693 25870 9632 1 14 . 1 1 831 831 ALA CA C 831 54.501 54.501 53.949 0.552 25870 9633 1 14 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.832 0.235 25870 9634 1 14 . 1 1 831 831 ALA H H 831 7.836 7.836 7.304 0.532 25870 9635 1 14 . 1 1 832 832 SER N N 832 114.256 114.256 115.570 -1.314 25870 9636 1 14 . 1 1 832 832 SER HA H 832 4.141 4.141 4.007 0.134 25870 9637 1 14 . 1 1 832 832 SER CA C 832 60.845 60.845 61.189 -0.344 25870 9638 1 14 . 1 1 832 832 SER CB C 832 62.613 62.613 62.824 -0.211 25870 9639 1 14 . 1 1 832 832 SER H H 832 7.714 7.714 7.322 0.392 25870 9640 1 14 . 1 1 833 833 PHE N N 833 121.847 121.847 118.957 2.890 25870 9641 1 14 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.224 -0.401 25870 9642 1 14 . 1 1 833 833 PHE CA C 833 58.627 58.627 57.276 1.351 25870 9643 1 14 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.214 0.913 25870 9644 1 14 . 1 1 833 833 PHE H H 833 7.740 7.740 7.596 0.144 25870 9645 1 14 . 1 1 834 834 LYS N N 834 118.759 118.759 120.368 -1.609 25870 9646 1 14 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.745 -0.156 25870 9647 1 14 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.103 1.281 25870 9648 1 14 . 1 1 834 834 LYS CB C 834 32.143 32.143 32.026 0.117 25870 9649 1 14 . 1 1 834 834 LYS H H 834 7.843 7.843 8.019 -0.176 25870 9650 1 14 . 1 1 835 835 ILE N N 835 118.537 118.537 120.090 -1.553 25870 9651 1 14 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.722 0.014 25870 9652 1 14 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.586 -0.872 25870 9653 1 14 . 1 1 835 835 ILE CB C 835 37.825 37.825 37.902 -0.077 25870 9654 1 14 . 1 1 835 835 ILE H H 835 7.315 7.315 7.242 0.073 25870 9655 1 14 . 1 1 836 836 LEU N N 836 121.201 121.201 118.839 2.362 25870 9656 1 14 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.810 0.145 25870 9657 1 14 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.275 -0.201 25870 9658 1 14 . 1 1 836 836 LEU CB C 836 42.415 42.415 41.930 0.485 25870 9659 1 14 . 1 1 836 836 LEU H H 836 7.625 7.625 7.881 -0.256 25870 9660 1 14 . 1 1 837 837 ALA N N 837 119.184 119.184 118.446 0.738 25870 9661 1 14 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.893 0.002 25870 9662 1 14 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.961 -0.660 25870 9663 1 14 . 1 1 837 837 ALA CB C 837 19.338 19.338 18.852 0.486 25870 9664 1 14 . 1 1 837 837 ALA H H 837 8.099 8.099 7.463 0.636 25870 9665 1 14 . 1 1 838 838 GLY N N 838 107.030 107.030 106.460 0.570 25870 9666 1 14 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.905 0.013 25870 9667 1 14 . 1 1 838 838 GLY H H 838 7.676 7.676 8.485 -0.809 25870 9668 1 14 . 1 1 839 839 ASP N N 839 122.291 122.291 124.410 -2.119 25870 9669 1 14 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.705 -0.228 25870 9670 1 14 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.933 0.578 25870 9671 1 14 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.339 -1.157 25870 9672 1 14 . 1 1 839 839 ASP H H 839 8.704 8.704 8.041 0.663 25870 9673 1 14 . 1 1 840 840 LYS N N 840 117.582 117.582 120.733 -3.151 25870 9674 1 14 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.445 -0.144 25870 9675 1 14 . 1 1 840 840 LYS CA C 840 55.780 55.780 55.696 0.084 25870 9676 1 14 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.344 0.366 25870 9677 1 14 . 1 1 840 840 LYS H H 840 7.583 7.583 7.489 0.094 25870 9678 1 14 . 1 1 841 841 ASN N N 841 116.678 116.678 116.175 0.503 25870 9679 1 14 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.544 0.067 25870 9680 1 14 . 1 1 841 841 ASN CA C 841 53.466 53.466 54.163 -0.697 25870 9681 1 14 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.101 0.054 25870 9682 1 14 . 1 1 841 841 ASN H H 841 8.693 8.693 8.913 -0.220 25870 9683 1 14 . 1 1 842 842 TYR N N 842 112.236 112.236 113.373 -1.137 25870 9684 1 14 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.672 0.314 25870 9685 1 14 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.211 -1.293 25870 9686 1 14 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.236 0.359 25870 9687 1 14 . 1 1 842 842 TYR H H 842 6.637 6.637 7.196 -0.559 25870 9688 1 14 . 1 1 843 843 ILE N N 843 115.475 115.475 122.182 -6.707 25870 9689 1 14 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.515 0.277 25870 9690 1 14 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.440 0.517 25870 9691 1 14 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.651 0.358 25870 9692 1 14 . 1 1 843 843 ILE H H 843 8.630 8.630 9.292 -0.662 25870 9693 1 14 . 1 1 844 844 THR N N 844 117.169 117.169 118.962 -1.793 25870 9694 1 14 . 1 1 844 844 THR HA H 844 5.370 5.370 5.210 0.160 25870 9695 1 14 . 1 1 844 844 THR CA C 844 60.177 60.177 60.600 -0.423 25870 9696 1 14 . 1 1 844 844 THR CB C 844 71.088 71.088 70.717 0.371 25870 9697 1 14 . 1 1 844 844 THR H H 844 9.330 9.330 9.393 -0.063 25870 9698 1 14 . 1 1 845 845 MET N N 845 119.860 119.860 120.408 -0.548 25870 9699 1 14 . 1 1 845 845 MET HA H 845 3.824 3.824 4.034 -0.210 25870 9700 1 14 . 1 1 845 845 MET CA C 845 60.321 60.321 60.356 -0.035 25870 9701 1 14 . 1 1 845 845 MET CB C 845 33.030 33.030 32.167 0.863 25870 9702 1 14 . 1 1 845 845 MET H H 845 8.556 8.556 8.873 -0.317 25870 9703 1 14 . 1 1 846 846 ASP N N 846 116.363 116.363 117.485 -1.122 25870 9704 1 14 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.431 -0.151 25870 9705 1 14 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.880 0.524 25870 9706 1 14 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.579 0.005 25870 9707 1 14 . 1 1 846 846 ASP H H 846 8.377 8.377 8.713 -0.336 25870 9708 1 14 . 1 1 847 847 GLU N N 847 120.577 120.577 118.442 2.135 25870 9709 1 14 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.168 -0.314 25870 9710 1 14 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.658 0.999 25870 9711 1 14 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.150 -0.490 25870 9712 1 14 . 1 1 847 847 GLU H H 847 7.855 7.855 7.551 0.304 25870 9713 1 14 . 1 1 848 848 LEU N N 848 118.714 118.714 119.506 -0.792 25870 9714 1 14 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.086 -0.264 25870 9715 1 14 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.736 0.989 25870 9716 1 14 . 1 1 848 848 LEU CB C 848 42.457 42.457 42.153 0.304 25870 9717 1 14 . 1 1 848 848 LEU H H 848 7.849 7.849 7.550 0.299 25870 9718 1 14 . 1 1 849 849 ARG N N 849 113.972 113.972 114.678 -0.706 25870 9719 1 14 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.440 -0.516 25870 9720 1 14 . 1 1 849 849 ARG CA C 849 58.595 58.595 56.868 1.727 25870 9721 1 14 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.237 0.863 25870 9722 1 14 . 1 1 849 849 ARG H H 849 8.053 8.053 7.828 0.225 25870 9723 1 14 . 1 1 850 850 ARG N N 850 118.178 118.178 118.675 -0.497 25870 9724 1 14 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.419 -0.226 25870 9725 1 14 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.407 0.838 25870 9726 1 14 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.730 -0.610 25870 9727 1 14 . 1 1 850 850 ARG H H 850 7.743 7.743 7.917 -0.174 25870 9728 1 14 . 1 1 851 851 GLU N N 851 115.518 115.518 119.398 -3.880 25870 9729 1 14 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.354 -0.004 25870 9730 1 14 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.519 -0.633 25870 9731 1 14 . 1 1 851 851 GLU CB C 851 31.590 31.590 31.331 0.259 25870 9732 1 14 . 1 1 851 851 GLU H H 851 7.596 7.596 7.760 -0.164 25870 9733 1 14 . 1 1 852 852 LEU N N 852 119.148 119.148 121.531 -2.383 25870 9734 1 14 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.075 -0.181 25870 9735 1 14 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.461 0.713 25870 9736 1 14 . 1 1 852 852 LEU CB C 852 42.469 42.469 42.108 0.361 25870 9737 1 14 . 1 1 852 852 LEU H H 852 7.890 7.890 7.773 0.117 25870 9738 1 14 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.477 -0.130 25870 9739 1 14 . 1 1 853 853 PRO CA C 853 65.119 65.119 63.919 1.200 25870 9740 1 14 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.345 1.286 25870 9741 1 14 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.522 -0.252 25870 9742 1 14 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.792 4.544 25870 9743 1 14 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.315 -1.059 25870 9744 1 14 . 1 1 855 855 ASP N N 855 114.865 114.865 119.063 -4.198 25870 9745 1 14 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.332 0.017 25870 9746 1 14 . 1 1 855 855 ASP CA C 855 56.913 56.913 56.796 0.117 25870 9747 1 14 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.226 -0.982 25870 9748 1 14 . 1 1 855 855 ASP H H 855 8.801 8.801 8.322 0.479 25870 9749 1 14 . 1 1 856 856 GLN N N 856 121.465 121.465 118.976 2.489 25870 9750 1 14 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.328 -0.129 25870 9751 1 14 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.386 -1.069 25870 9752 1 14 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.345 0.902 25870 9753 1 14 . 1 1 856 856 GLN H H 856 7.472 7.472 8.432 -0.960 25870 9754 1 14 . 1 1 857 857 ALA N N 857 122.805 122.805 122.080 0.725 25870 9755 1 14 . 1 1 857 857 ALA HA H 857 3.799 3.799 4.001 -0.202 25870 9756 1 14 . 1 1 857 857 ALA CA C 857 56.303 56.303 55.861 0.442 25870 9757 1 14 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.179 -0.235 25870 9758 1 14 . 1 1 857 857 ALA H H 857 8.882 8.882 8.103 0.779 25870 9759 1 14 . 1 1 858 858 GLU N N 858 114.094 114.094 118.909 -4.815 25870 9760 1 14 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.018 0.006 25870 9761 1 14 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.794 -0.112 25870 9762 1 14 . 1 1 858 858 GLU CB C 858 28.639 28.639 28.988 -0.349 25870 9763 1 14 . 1 1 858 858 GLU H H 858 8.155 8.155 7.906 0.249 25870 9764 1 14 . 1 1 859 859 TYR N N 859 120.665 120.665 122.137 -1.472 25870 9765 1 14 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.175 -0.091 25870 9766 1 14 . 1 1 859 859 TYR CA C 859 61.006 61.006 61.134 -0.128 25870 9767 1 14 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.189 0.498 25870 9768 1 14 . 1 1 859 859 TYR H H 859 7.708 7.708 8.290 -0.582 25870 9769 1 14 . 1 1 860 860 CYS N N 860 115.812 115.812 117.236 -1.424 25870 9770 1 14 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.434 0.724 25870 9771 1 14 . 1 1 860 860 CYS CA C 860 64.254 64.254 63.979 0.275 25870 9772 1 14 . 1 1 860 860 CYS CB C 860 27.304 27.304 27.004 0.300 25870 9773 1 14 . 1 1 860 860 CYS H H 860 8.113 8.113 7.874 0.239 25870 9774 1 14 . 1 1 861 861 ILE N N 861 120.078 120.078 119.916 0.162 25870 9775 1 14 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.651 -0.312 25870 9776 1 14 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.384 0.259 25870 9777 1 14 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.646 1.068 25870 9778 1 14 . 1 1 861 861 ILE H H 861 8.453 8.453 8.035 0.418 25870 9779 1 14 . 1 1 862 862 ALA N N 862 116.691 116.691 122.570 -5.879 25870 9780 1 14 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.002 0.207 25870 9781 1 14 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.760 -1.538 25870 9782 1 14 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.553 0.449 25870 9783 1 14 . 1 1 862 862 ALA H H 862 7.307 7.307 8.302 -0.995 25870 9784 1 14 . 1 1 863 863 ARG N N 863 117.226 117.226 114.668 2.558 25870 9785 1 14 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.565 -0.291 25870 9786 1 14 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.188 -0.137 25870 9787 1 14 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.791 0.598 25870 9788 1 14 . 1 1 863 863 ARG H H 863 7.358 7.358 7.623 -0.265 25870 9789 1 14 . 1 1 864 864 MET N N 864 117.583 117.583 118.474 -0.891 25870 9790 1 14 . 1 1 864 864 MET HA H 864 4.561 4.561 4.462 0.099 25870 9791 1 14 . 1 1 864 864 MET CA C 864 54.927 54.927 55.736 -0.809 25870 9792 1 14 . 1 1 864 864 MET CB C 864 37.418 37.418 34.253 3.165 25870 9793 1 14 . 1 1 864 864 MET H H 864 7.153 7.153 7.313 -0.160 25870 9794 1 14 . 1 1 865 865 ALA N N 865 124.643 124.643 125.318 -0.675 25870 9795 1 14 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.736 -0.870 25870 9796 1 14 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.393 -0.199 25870 9797 1 14 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.566 0.081 25870 9798 1 14 . 1 1 865 865 ALA H H 865 8.557 8.557 8.156 0.401 25870 9799 1 14 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.513 -0.017 25870 9800 1 14 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.841 -0.117 25870 9801 1 14 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.313 1.667 25870 9802 1 14 . 1 1 867 867 TYR N N 867 122.461 122.461 127.190 -4.729 25870 9803 1 14 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.435 0.293 25870 9804 1 14 . 1 1 867 867 TYR CA C 867 57.096 57.096 57.556 -0.460 25870 9805 1 14 . 1 1 867 867 TYR CB C 867 39.175 39.175 38.523 0.652 25870 9806 1 14 . 1 1 867 867 TYR H H 867 8.128 8.128 8.138 -0.010 25870 9807 1 14 . 1 1 868 868 THR HA H 868 4.351 4.351 4.415 -0.064 25870 9808 1 14 . 1 1 868 868 THR CA C 868 60.271 60.271 60.594 -0.323 25870 9809 1 14 . 1 1 868 868 THR CB C 868 68.737 68.737 70.854 -2.117 25870 9810 1 14 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.303 -0.389 25870 9811 1 14 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.477 -0.148 25870 9812 1 14 . 1 1 870 870 PRO CA C 870 64.697 64.697 63.989 0.708 25870 9813 1 14 . 1 1 870 870 PRO CB C 870 31.579 31.579 31.947 -0.368 25870 9814 1 14 . 1 1 871 871 ASP N N 871 116.207 116.207 116.034 0.173 25870 9815 1 14 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.616 -0.012 25870 9816 1 14 . 1 1 871 871 ASP CA C 871 52.749 52.749 54.673 -1.924 25870 9817 1 14 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.849 -1.920 25870 9818 1 14 . 1 1 871 871 ASP H H 871 9.267 9.267 8.315 0.952 25870 9819 1 14 . 1 1 872 872 SER N N 872 112.349 112.349 114.901 -2.552 25870 9820 1 14 . 1 1 872 872 SER HA H 872 3.497 3.497 4.095 -0.598 25870 9821 1 14 . 1 1 872 872 SER CA C 872 59.065 59.065 58.270 0.795 25870 9822 1 14 . 1 1 872 872 SER CB C 872 63.125 63.125 64.566 -1.441 25870 9823 1 14 . 1 1 872 872 SER H H 872 7.487 7.487 7.565 -0.078 25870 9824 1 14 . 1 1 873 873 VAL N N 873 113.567 113.567 113.088 0.479 25870 9825 1 14 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.635 0.094 25870 9826 1 14 . 1 1 873 873 VAL CA C 873 58.044 58.044 57.523 0.521 25870 9827 1 14 . 1 1 873 873 VAL CB C 873 32.911 32.911 33.670 -0.760 25870 9828 1 14 . 1 1 873 873 VAL H H 873 6.411 6.411 7.835 -1.424 25870 9829 1 14 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.415 -0.119 25870 9830 1 14 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.665 0.670 25870 9831 1 14 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.763 -0.248 25870 9832 1 14 . 1 1 875 875 GLY N N 875 112.118 112.118 110.774 1.344 25870 9833 1 14 . 1 1 875 875 GLY CA C 875 45.557 45.557 45.056 0.501 25870 9834 1 14 . 1 1 875 875 GLY H H 875 8.800 8.800 8.520 0.280 25870 9835 1 14 . 1 1 876 876 ALA N N 876 120.262 120.262 122.526 -2.264 25870 9836 1 14 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.577 -1.477 25870 9837 1 14 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.497 2.576 25870 9838 1 14 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.789 -1.281 25870 9839 1 14 . 1 1 876 876 ALA H H 876 7.762 7.762 7.608 0.154 25870 9840 1 14 . 1 1 877 877 LEU N N 877 125.695 125.695 121.322 4.373 25870 9841 1 14 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.254 -0.478 25870 9842 1 14 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.787 0.482 25870 9843 1 14 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.111 -2.312 25870 9844 1 14 . 1 1 877 877 LEU H H 877 9.595 9.595 9.364 0.231 25870 9845 1 14 . 1 1 878 878 ASP N N 878 119.823 119.823 121.537 -1.714 25870 9846 1 14 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.464 0.415 25870 9847 1 14 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.379 -0.382 25870 9848 1 14 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.442 -0.661 25870 9849 1 14 . 1 1 878 878 ASP H H 878 9.031 9.031 8.103 0.928 25870 9850 1 14 . 1 1 879 879 TYR N N 879 126.556 126.556 123.480 3.076 25870 9851 1 14 . 1 1 879 879 TYR HA H 879 4.591 4.591 3.817 0.774 25870 9852 1 14 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.667 -0.271 25870 9853 1 14 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.366 -0.045 25870 9854 1 14 . 1 1 879 879 TYR H H 879 7.456 7.456 7.891 -0.435 25870 9855 1 14 . 1 1 880 880 MET N N 880 119.958 119.958 114.689 5.269 25870 9856 1 14 . 1 1 880 880 MET HA H 880 4.605 4.605 4.642 -0.037 25870 9857 1 14 . 1 1 880 880 MET CA C 880 56.044 56.044 57.076 -1.032 25870 9858 1 14 . 1 1 880 880 MET CB C 880 30.101 30.101 32.959 -2.857 25870 9859 1 14 . 1 1 880 880 MET H H 880 7.627 7.627 7.288 0.339 25870 9860 1 14 . 1 1 881 881 SER N N 881 114.328 114.328 115.572 -1.244 25870 9861 1 14 . 1 1 881 881 SER HA H 881 4.471 4.471 4.631 -0.160 25870 9862 1 14 . 1 1 881 881 SER CA C 881 58.917 58.917 56.979 1.938 25870 9863 1 14 . 1 1 881 881 SER CB C 881 64.447 64.447 63.760 0.687 25870 9864 1 14 . 1 1 881 881 SER H H 881 7.726 7.726 7.772 -0.046 25870 9865 1 14 . 1 1 882 882 PHE N N 882 122.735 122.735 120.455 2.280 25870 9866 1 14 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.369 0.353 25870 9867 1 14 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.386 1.845 25870 9868 1 14 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.000 1.285 25870 9869 1 14 . 1 1 882 882 PHE H H 882 7.385 7.385 7.301 0.084 25870 9870 1 14 . 1 1 883 883 SER N N 883 120.156 120.156 117.384 2.772 25870 9871 1 14 . 1 1 883 883 SER HA H 883 4.299 4.299 4.337 -0.038 25870 9872 1 14 . 1 1 883 883 SER CA C 883 57.280 57.280 58.511 -1.231 25870 9873 1 14 . 1 1 883 883 SER CB C 883 64.601 64.601 63.693 0.908 25870 9874 1 14 . 1 1 883 883 SER H H 883 7.472 7.472 8.303 -0.831 25870 9875 1 14 . 1 1 884 884 THR N N 884 110.683 110.683 116.079 -5.396 25870 9876 1 14 . 1 1 884 884 THR HA H 884 3.966 3.966 4.026 -0.060 25870 9877 1 14 . 1 1 884 884 THR CA C 884 63.465 63.465 62.969 0.496 25870 9878 1 14 . 1 1 884 884 THR CB C 884 68.899 68.899 68.940 -0.041 25870 9879 1 14 . 1 1 884 884 THR H H 884 7.996 7.996 7.804 0.192 25870 9880 1 14 . 1 1 885 885 ALA N N 885 125.456 125.456 124.038 1.418 25870 9881 1 14 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.500 -0.264 25870 9882 1 14 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.098 0.932 25870 9883 1 14 . 1 1 885 885 ALA CB C 885 19.225 19.225 20.224 -0.999 25870 9884 1 14 . 1 1 885 885 ALA H H 885 7.905 7.905 7.482 0.423 25870 9885 1 14 . 1 1 886 886 LEU N N 886 120.638 120.638 122.653 -2.015 25870 9886 1 14 . 1 1 886 886 LEU HA H 886 4.002 4.002 4.145 -0.143 25870 9887 1 14 . 1 1 886 886 LEU CA C 886 55.462 55.462 54.768 0.694 25870 9888 1 14 . 1 1 886 886 LEU CB C 886 42.265 42.265 42.499 -0.234 25870 9889 1 14 . 1 1 886 886 LEU H H 886 8.079 8.079 8.396 -0.317 25870 9890 1 14 . 1 1 887 887 TYR N N 887 121.526 121.526 120.237 1.289 25870 9891 1 14 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.189 0.167 25870 9892 1 14 . 1 1 887 887 TYR CA C 887 58.750 58.750 58.816 -0.066 25870 9893 1 14 . 1 1 887 887 TYR CB C 887 38.569 38.569 37.540 1.029 25870 9894 1 14 . 1 1 887 887 TYR H H 887 8.267 8.267 8.192 0.075 25870 9895 1 14 . 1 1 888 888 GLY N N 888 112.379 112.379 108.019 4.360 25870 9896 1 14 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.766 0.324 25870 9897 1 14 . 1 1 888 888 GLY H H 888 8.087 8.087 7.509 0.578 25870 9898 1 14 . 1 1 889 889 GLU N N 889 120.255 120.255 120.961 -0.706 25870 9899 1 14 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.719 -0.463 25870 9900 1 14 . 1 1 889 889 GLU CA C 889 56.445 56.445 55.819 0.626 25870 9901 1 14 . 1 1 889 889 GLU CB C 889 30.393 30.393 31.769 -1.376 25870 9902 1 14 . 1 1 889 889 GLU H H 889 7.994 7.994 8.504 -0.510 25870 9903 1 14 . 1 1 890 890 SER N N 890 116.375 116.375 117.722 -1.347 25870 9904 1 14 . 1 1 890 890 SER HA H 890 4.415 4.415 4.913 -0.498 25870 9905 1 14 . 1 1 890 890 SER CA C 890 58.204 58.204 57.543 0.661 25870 9906 1 14 . 1 1 890 890 SER CB C 890 63.913 63.913 66.059 -2.146 25870 9907 1 14 . 1 1 890 890 SER H H 890 8.329 8.329 8.670 -0.341 25870 9908 1 14 . 1 1 891 891 ASP N N 891 123.017 123.017 120.787 2.230 25870 9909 1 14 . 1 1 891 891 ASP HA H 891 4.610 4.610 5.191 -0.581 25870 9910 1 14 . 1 1 891 891 ASP CA C 891 54.371 54.371 53.511 0.860 25870 9911 1 14 . 1 1 891 891 ASP CB C 891 41.013 41.013 42.468 -1.455 25870 9912 1 14 . 1 1 891 891 ASP H H 891 8.394 8.394 8.884 -0.490 25870 9913 1 15 . 1 1 742 742 SER HA H 742 4.525 4.525 4.190 0.335 25870 9914 1 15 . 1 1 742 742 SER CA C 742 58.148 58.148 60.946 -2.797 25870 9915 1 15 . 1 1 742 742 SER CB C 742 63.791 63.791 63.157 0.634 25870 9916 1 15 . 1 1 743 743 ILE N N 743 122.172 122.172 120.657 1.515 25870 9917 1 15 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.402 -0.040 25870 9918 1 15 . 1 1 743 743 ILE CA C 743 60.421 60.421 59.824 0.597 25870 9919 1 15 . 1 1 743 743 ILE CB C 743 39.166 39.166 40.779 -1.613 25870 9920 1 15 . 1 1 743 743 ILE H H 743 8.132 8.132 7.775 0.357 25870 9921 1 15 . 1 1 744 744 SER N N 744 123.144 123.144 122.108 1.036 25870 9922 1 15 . 1 1 744 744 SER HA H 744 4.449 4.449 4.789 -0.340 25870 9923 1 15 . 1 1 744 744 SER CA C 744 57.463 57.463 56.579 0.884 25870 9924 1 15 . 1 1 744 744 SER CB C 744 65.219 65.219 65.468 -0.249 25870 9925 1 15 . 1 1 744 744 SER H H 744 8.848 8.848 8.633 0.215 25870 9926 1 15 . 1 1 745 745 GLN N N 745 121.619 121.619 121.519 0.100 25870 9927 1 15 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.118 -0.166 25870 9928 1 15 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.269 -0.500 25870 9929 1 15 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.595 -0.083 25870 9930 1 15 . 1 1 745 745 GLN H H 745 9.042 9.042 9.133 -0.091 25870 9931 1 15 . 1 1 746 746 GLU N N 746 118.648 118.648 119.426 -0.778 25870 9932 1 15 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.115 -0.111 25870 9933 1 15 . 1 1 746 746 GLU CA C 746 60.223 60.223 59.059 1.164 25870 9934 1 15 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.212 -0.358 25870 9935 1 15 . 1 1 746 746 GLU H H 746 8.721 8.721 8.517 0.204 25870 9936 1 15 . 1 1 747 747 GLN N N 747 120.463 120.463 120.149 0.314 25870 9937 1 15 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.125 -0.359 25870 9938 1 15 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.768 -0.462 25870 9939 1 15 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.619 0.329 25870 9940 1 15 . 1 1 747 747 GLN H H 747 7.838 7.838 8.369 -0.531 25870 9941 1 15 . 1 1 748 748 MET N N 748 119.252 119.252 116.186 3.066 25870 9942 1 15 . 1 1 748 748 MET HA H 748 4.200 4.200 4.494 -0.294 25870 9943 1 15 . 1 1 748 748 MET CA C 748 58.096 58.096 58.692 -0.596 25870 9944 1 15 . 1 1 748 748 MET CB C 748 30.900 30.900 32.346 -1.446 25870 9945 1 15 . 1 1 748 748 MET H H 748 8.473 8.473 8.158 0.315 25870 9946 1 15 . 1 1 749 749 ASN N N 749 117.740 117.740 119.239 -1.499 25870 9947 1 15 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.431 0.043 25870 9948 1 15 . 1 1 749 749 ASN CA C 749 55.795 55.795 56.356 -0.561 25870 9949 1 15 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.738 -1.325 25870 9950 1 15 . 1 1 749 749 ASN H H 749 8.334 8.334 7.887 0.447 25870 9951 1 15 . 1 1 750 750 GLU N N 750 122.848 122.848 119.576 3.272 25870 9952 1 15 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.127 0.077 25870 9953 1 15 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.490 0.850 25870 9954 1 15 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.491 -0.307 25870 9955 1 15 . 1 1 750 750 GLU H H 750 7.838 7.838 8.326 -0.488 25870 9956 1 15 . 1 1 751 751 PHE N N 751 120.177 120.177 123.179 -3.002 25870 9957 1 15 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.312 0.709 25870 9958 1 15 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.602 -1.249 25870 9959 1 15 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.349 -1.552 25870 9960 1 15 . 1 1 751 751 PHE H H 751 8.785 8.785 8.654 0.131 25870 9961 1 15 . 1 1 752 752 ARG N N 752 120.528 120.528 119.972 0.556 25870 9962 1 15 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.855 0.305 25870 9963 1 15 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.328 1.376 25870 9964 1 15 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.663 1.304 25870 9965 1 15 . 1 1 752 752 ARG H H 752 9.016 9.016 8.149 0.867 25870 9966 1 15 . 1 1 753 753 ALA N N 753 121.112 121.112 122.429 -1.317 25870 9967 1 15 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.492 -0.247 25870 9968 1 15 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.511 0.820 25870 9969 1 15 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.863 -0.040 25870 9970 1 15 . 1 1 753 753 ALA H H 753 8.100 8.100 7.920 0.180 25870 9971 1 15 . 1 1 754 754 SER N N 754 115.589 115.589 115.360 0.229 25870 9972 1 15 . 1 1 754 754 SER HA H 754 4.452 4.452 4.246 0.206 25870 9973 1 15 . 1 1 754 754 SER CA C 754 62.675 62.675 60.144 2.531 25870 9974 1 15 . 1 1 754 754 SER CB C 754 63.359 63.359 62.762 0.597 25870 9975 1 15 . 1 1 754 754 SER H H 754 8.391 8.391 7.908 0.483 25870 9976 1 15 . 1 1 755 755 PHE N N 755 121.886 121.886 119.173 2.713 25870 9977 1 15 . 1 1 755 755 PHE HA H 755 3.642 3.642 4.162 -0.520 25870 9978 1 15 . 1 1 755 755 PHE CA C 755 61.964 61.964 59.252 2.712 25870 9979 1 15 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.688 1.134 25870 9980 1 15 . 1 1 755 755 PHE H H 755 8.675 8.675 7.787 0.888 25870 9981 1 15 . 1 1 756 756 ASN N N 756 113.618 113.618 113.798 -0.180 25870 9982 1 15 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.358 0.069 25870 9983 1 15 . 1 1 756 756 ASN CA C 756 55.611 55.611 53.020 2.591 25870 9984 1 15 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.889 -1.051 25870 9985 1 15 . 1 1 756 756 ASN H H 756 8.593 8.593 7.679 0.914 25870 9986 1 15 . 1 1 757 757 HIS N N 757 119.679 119.679 120.579 -0.900 25870 9987 1 15 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.279 -0.200 25870 9988 1 15 . 1 1 757 757 HIS CA C 757 59.344 59.344 59.751 -0.407 25870 9989 1 15 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.260 -0.371 25870 9990 1 15 . 1 1 757 757 HIS H H 757 8.139 8.139 7.583 0.556 25870 9991 1 15 . 1 1 758 758 PHE N N 758 113.051 113.051 116.429 -3.378 25870 9992 1 15 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.594 -0.533 25870 9993 1 15 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.516 2.181 25870 9994 1 15 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.572 -1.837 25870 9995 1 15 . 1 1 758 758 PHE H H 758 7.585 7.585 7.597 -0.012 25870 9996 1 15 . 1 1 759 759 ASP N N 759 120.916 120.916 121.260 -0.344 25870 9997 1 15 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.525 -0.016 25870 9998 1 15 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.956 -2.785 25870 9999 1 15 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.493 -2.484 25870 10000 1 15 . 1 1 759 759 ASP H H 759 7.423 7.423 7.964 -0.541 25870 10001 1 15 . 1 1 760 760 ARG N N 760 124.819 124.819 126.907 -2.088 25870 10002 1 15 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.062 -0.294 25870 10003 1 15 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.775 -0.500 25870 10004 1 15 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.566 -0.317 25870 10005 1 15 . 1 1 760 760 ARG H H 760 7.781 7.781 8.462 -0.681 25870 10006 1 15 . 1 1 761 761 ASP N N 761 113.673 113.673 114.828 -1.155 25870 10007 1 15 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.596 -0.113 25870 10008 1 15 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.060 -1.083 25870 10009 1 15 . 1 1 761 761 ASP CB C 761 39.522 39.522 40.077 -0.555 25870 10010 1 15 . 1 1 761 761 ASP H H 761 7.821 7.821 8.021 -0.200 25870 10011 1 15 . 1 1 762 762 HIS N N 762 114.966 114.966 113.898 1.068 25870 10012 1 15 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.245 -0.084 25870 10013 1 15 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.525 0.093 25870 10014 1 15 . 1 1 762 762 HIS CB C 762 26.380 26.380 27.173 -0.793 25870 10015 1 15 . 1 1 762 762 HIS H H 762 7.744 7.744 7.756 -0.012 25870 10016 1 15 . 1 1 763 763 SER N N 763 115.077 115.077 114.983 0.094 25870 10017 1 15 . 1 1 763 763 SER HA H 763 4.336 4.336 4.254 0.082 25870 10018 1 15 . 1 1 763 763 SER CA C 763 59.860 59.860 59.800 0.060 25870 10019 1 15 . 1 1 763 763 SER CB C 763 65.192 65.192 63.968 1.224 25870 10020 1 15 . 1 1 763 763 SER H H 763 8.726 8.726 8.502 0.224 25870 10021 1 15 . 1 1 764 764 GLY N N 764 116.915 116.915 110.673 6.242 25870 10022 1 15 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.522 -0.073 25870 10023 1 15 . 1 1 764 764 GLY H H 764 11.017 11.017 9.059 1.958 25870 10024 1 15 . 1 1 765 765 THR N N 765 107.334 107.334 110.294 -2.960 25870 10025 1 15 . 1 1 765 765 THR HA H 765 4.829 4.829 5.126 -0.297 25870 10026 1 15 . 1 1 765 765 THR CA C 765 58.759 58.759 60.694 -1.935 25870 10027 1 15 . 1 1 765 765 THR CB C 765 73.383 73.383 72.317 1.066 25870 10028 1 15 . 1 1 765 765 THR H H 765 7.693 7.693 7.904 -0.211 25870 10029 1 15 . 1 1 766 766 LEU N N 766 124.664 124.664 124.873 -0.209 25870 10030 1 15 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.630 0.270 25870 10031 1 15 . 1 1 766 766 LEU CA C 766 52.339 52.339 54.118 -1.780 25870 10032 1 15 . 1 1 766 766 LEU CB C 766 42.339 42.339 43.321 -0.982 25870 10033 1 15 . 1 1 766 766 LEU H H 766 9.209 9.209 8.587 0.622 25870 10034 1 15 . 1 1 767 767 GLY N N 767 112.024 112.024 111.647 0.377 25870 10035 1 15 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.788 0.335 25870 10036 1 15 . 1 1 767 767 GLY H H 767 8.910 8.910 9.079 -0.169 25870 10037 1 15 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.606 -0.288 25870 10038 1 15 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.058 1.069 25870 10039 1 15 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.077 -0.048 25870 10040 1 15 . 1 1 769 769 GLU N N 769 115.246 115.246 118.316 -3.070 25870 10041 1 15 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.018 -0.047 25870 10042 1 15 . 1 1 769 769 GLU CA C 769 59.621 59.621 59.752 -0.131 25870 10043 1 15 . 1 1 769 769 GLU CB C 769 28.628 28.628 29.034 -0.406 25870 10044 1 15 . 1 1 769 769 GLU H H 769 8.622 8.622 9.025 -0.403 25870 10045 1 15 . 1 1 770 770 GLU N N 770 121.127 121.127 119.976 1.151 25870 10046 1 15 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.174 0.098 25870 10047 1 15 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.969 -0.472 25870 10048 1 15 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.922 1.450 25870 10049 1 15 . 1 1 770 770 GLU H H 770 7.493 7.493 7.955 -0.462 25870 10050 1 15 . 1 1 771 771 PHE N N 771 117.688 117.688 122.023 -4.335 25870 10051 1 15 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.308 0.047 25870 10052 1 15 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.658 -2.034 25870 10053 1 15 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.459 -0.649 25870 10054 1 15 . 1 1 771 771 PHE H H 771 9.110 9.110 8.995 0.115 25870 10055 1 15 . 1 1 772 772 LYS N N 772 119.789 119.789 118.504 1.285 25870 10056 1 15 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.678 -0.365 25870 10057 1 15 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.263 2.409 25870 10058 1 15 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.951 1.028 25870 10059 1 15 . 1 1 772 772 LYS H H 772 8.594 8.594 8.007 0.587 25870 10060 1 15 . 1 1 773 773 ALA N N 773 118.461 118.461 120.640 -2.179 25870 10061 1 15 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.059 -0.178 25870 10062 1 15 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.771 1.242 25870 10063 1 15 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.941 -1.312 25870 10064 1 15 . 1 1 773 773 ALA H H 773 7.231 7.231 7.521 -0.290 25870 10065 1 15 . 1 1 774 774 CYS N N 774 120.913 120.913 119.402 1.511 25870 10066 1 15 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.762 -0.327 25870 10067 1 15 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.316 -0.143 25870 10068 1 15 . 1 1 774 774 CYS CB C 774 26.215 26.215 26.314 -0.099 25870 10069 1 15 . 1 1 774 774 CYS H H 774 7.498 7.498 7.686 -0.188 25870 10070 1 15 . 1 1 775 775 LEU N N 775 119.201 119.201 119.220 -0.019 25870 10071 1 15 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.576 0.190 25870 10072 1 15 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.677 1.255 25870 10073 1 15 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.363 -0.413 25870 10074 1 15 . 1 1 775 775 LEU H H 775 8.372 8.372 7.603 0.769 25870 10075 1 15 . 1 1 776 776 ILE N N 776 121.051 121.051 118.265 2.786 25870 10076 1 15 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.426 1.664 25870 10077 1 15 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.275 0.969 25870 10078 1 15 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.174 0.817 25870 10079 1 15 . 1 1 776 776 ILE H H 776 8.358 8.358 6.687 1.671 25870 10080 1 15 . 1 1 777 777 SER N N 777 119.109 119.109 112.950 6.159 25870 10081 1 15 . 1 1 777 777 SER HA H 777 4.291 4.291 4.228 0.063 25870 10082 1 15 . 1 1 777 777 SER CA C 777 61.725 61.725 59.813 1.912 25870 10083 1 15 . 1 1 777 777 SER CB C 777 62.995 62.995 63.057 -0.062 25870 10084 1 15 . 1 1 777 777 SER H H 777 7.822 7.822 7.390 0.432 25870 10085 1 15 . 1 1 778 778 LEU N N 778 121.208 121.208 118.357 2.851 25870 10086 1 15 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.345 0.161 25870 10087 1 15 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.846 1.153 25870 10088 1 15 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.042 0.628 25870 10089 1 15 . 1 1 778 778 LEU H H 778 7.671 7.671 7.044 0.627 25870 10090 1 15 . 1 1 779 779 GLY N N 779 106.232 106.232 107.148 -0.916 25870 10091 1 15 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.141 0.146 25870 10092 1 15 . 1 1 779 779 GLY H H 779 7.897 7.897 7.347 0.550 25870 10093 1 15 . 1 1 780 780 TYR N N 780 120.772 120.772 119.106 1.666 25870 10094 1 15 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.628 -0.486 25870 10095 1 15 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.054 4.176 25870 10096 1 15 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.677 -0.336 25870 10097 1 15 . 1 1 780 780 TYR H H 780 8.072 8.072 7.488 0.584 25870 10098 1 15 . 1 1 781 781 ASP N N 781 124.304 124.304 117.893 6.411 25870 10099 1 15 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.671 -0.006 25870 10100 1 15 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.892 -0.744 25870 10101 1 15 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.843 -1.039 25870 10102 1 15 . 1 1 781 781 ASP H H 781 8.862 8.862 9.037 -0.175 25870 10103 1 15 . 1 1 782 782 ILE N N 782 122.271 122.271 113.264 9.007 25870 10104 1 15 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.422 -0.081 25870 10105 1 15 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.220 -0.228 25870 10106 1 15 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.376 -2.469 25870 10107 1 15 . 1 1 782 782 ILE H H 782 7.344 7.344 6.926 0.418 25870 10108 1 15 . 1 1 783 783 GLY N N 783 112.322 112.322 105.229 7.093 25870 10109 1 15 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.578 -0.056 25870 10110 1 15 . 1 1 783 783 GLY H H 783 8.122 8.122 8.140 -0.018 25870 10111 1 15 . 1 1 784 784 ASN N N 784 118.727 118.727 116.805 1.922 25870 10112 1 15 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.802 0.080 25870 10113 1 15 . 1 1 784 784 ASN CA C 784 52.098 52.098 53.041 -0.943 25870 10114 1 15 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.051 -0.627 25870 10115 1 15 . 1 1 784 784 ASN H H 784 8.452 8.452 8.571 -0.119 25870 10116 1 15 . 1 1 785 785 ASP N N 785 119.826 119.826 121.193 -1.367 25870 10117 1 15 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.844 -0.066 25870 10118 1 15 . 1 1 785 785 ASP CA C 785 52.164 52.164 52.351 -0.187 25870 10119 1 15 . 1 1 785 785 ASP CB C 785 39.657 39.657 41.803 -2.147 25870 10120 1 15 . 1 1 785 785 ASP H H 785 8.145 8.145 7.561 0.584 25870 10121 1 15 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.219 0.052 25870 10122 1 15 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.282 0.983 25870 10123 1 15 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.096 -0.085 25870 10124 1 15 . 1 1 787 787 GLN N N 787 118.097 118.097 117.045 1.052 25870 10125 1 15 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.259 -0.118 25870 10126 1 15 . 1 1 787 787 GLN CA C 787 59.115 59.115 57.911 1.204 25870 10127 1 15 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.112 -0.380 25870 10128 1 15 . 1 1 787 787 GLN H H 787 8.409 8.409 8.466 -0.057 25870 10129 1 15 . 1 1 788 788 GLY N N 788 113.421 113.421 108.833 4.588 25870 10130 1 15 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.551 0.766 25870 10131 1 15 . 1 1 788 788 GLY H H 788 8.644 8.644 8.464 0.180 25870 10132 1 15 . 1 1 789 789 GLU N N 789 121.223 121.223 121.770 -0.547 25870 10133 1 15 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.263 -0.115 25870 10134 1 15 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.476 -0.132 25870 10135 1 15 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.367 0.068 25870 10136 1 15 . 1 1 789 789 GLU H H 789 8.514 8.514 8.387 0.127 25870 10137 1 15 . 1 1 790 790 ALA N N 790 122.879 122.879 122.117 0.762 25870 10138 1 15 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.199 0.048 25870 10139 1 15 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.140 -0.233 25870 10140 1 15 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.406 -0.626 25870 10141 1 15 . 1 1 790 790 ALA H H 790 8.024 8.024 7.576 0.448 25870 10142 1 15 . 1 1 791 791 GLU N N 791 122.622 122.622 118.836 3.786 25870 10143 1 15 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.121 0.566 25870 10144 1 15 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.433 -0.299 25870 10145 1 15 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.483 -0.422 25870 10146 1 15 . 1 1 791 791 GLU H H 791 8.280 8.280 7.597 0.683 25870 10147 1 15 . 1 1 792 792 PHE N N 792 119.949 119.949 121.512 -1.563 25870 10148 1 15 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.209 -0.171 25870 10149 1 15 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.122 0.690 25870 10150 1 15 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.525 0.073 25870 10151 1 15 . 1 1 792 792 PHE H H 792 8.722 8.722 8.821 -0.099 25870 10152 1 15 . 1 1 793 793 ALA N N 793 119.652 119.652 121.152 -1.500 25870 10153 1 15 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.271 0.583 25870 10154 1 15 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.417 0.485 25870 10155 1 15 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.835 -0.207 25870 10156 1 15 . 1 1 793 793 ALA H H 793 8.163 8.163 7.826 0.337 25870 10157 1 15 . 1 1 794 794 ARG N N 794 121.092 121.092 119.012 2.080 25870 10158 1 15 . 1 1 794 794 ARG HA H 794 3.910 3.910 4.027 -0.117 25870 10159 1 15 . 1 1 794 794 ARG CA C 794 59.471 59.471 58.948 0.523 25870 10160 1 15 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.253 -0.162 25870 10161 1 15 . 1 1 794 794 ARG H H 794 8.034 8.034 7.468 0.566 25870 10162 1 15 . 1 1 795 795 ILE N N 795 121.394 121.394 119.092 2.302 25870 10163 1 15 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.903 -0.515 25870 10164 1 15 . 1 1 795 795 ILE CA C 795 65.848 65.848 64.525 1.323 25870 10165 1 15 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.621 -0.412 25870 10166 1 15 . 1 1 795 795 ILE H H 795 8.049 8.049 7.719 0.330 25870 10167 1 15 . 1 1 796 796 MET N N 796 119.012 119.012 118.486 0.526 25870 10168 1 15 . 1 1 796 796 MET HA H 796 4.155 4.155 3.912 0.243 25870 10169 1 15 . 1 1 796 796 MET CA C 796 56.470 56.470 57.977 -1.507 25870 10170 1 15 . 1 1 796 796 MET CB C 796 29.892 29.892 31.623 -1.731 25870 10171 1 15 . 1 1 796 796 MET H H 796 8.589 8.589 8.160 0.429 25870 10172 1 15 . 1 1 797 797 SER N N 797 114.132 114.132 112.484 1.648 25870 10173 1 15 . 1 1 797 797 SER HA H 797 4.097 4.097 4.298 -0.201 25870 10174 1 15 . 1 1 797 797 SER CA C 797 61.231 61.231 60.213 1.018 25870 10175 1 15 . 1 1 797 797 SER CB C 797 62.895 62.895 63.875 -0.980 25870 10176 1 15 . 1 1 797 797 SER H H 797 7.732 7.732 7.589 0.143 25870 10177 1 15 . 1 1 798 798 ILE N N 798 120.873 120.873 116.679 4.194 25870 10178 1 15 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.255 -0.437 25870 10179 1 15 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.601 0.274 25870 10180 1 15 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.508 0.355 25870 10181 1 15 . 1 1 798 798 ILE H H 798 7.352 7.352 7.964 -0.612 25870 10182 1 15 . 1 1 799 799 VAL N N 799 110.552 110.552 119.468 -8.916 25870 10183 1 15 . 1 1 799 799 VAL HA H 799 4.243 4.243 3.815 0.428 25870 10184 1 15 . 1 1 799 799 VAL CA C 799 62.616 62.616 62.054 0.562 25870 10185 1 15 . 1 1 799 799 VAL CB C 799 32.416 32.416 31.634 0.782 25870 10186 1 15 . 1 1 799 799 VAL H H 799 7.648 7.648 7.649 -0.001 25870 10187 1 15 . 1 1 800 800 ASP N N 800 119.435 119.435 117.703 1.732 25870 10188 1 15 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.086 0.139 25870 10189 1 15 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.070 1.645 25870 10190 1 15 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.147 -0.061 25870 10191 1 15 . 1 1 800 800 ASP H H 800 8.074 8.074 7.561 0.513 25870 10192 1 15 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.419 -0.088 25870 10193 1 15 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.753 1.066 25870 10194 1 15 . 1 1 801 801 PRO CB C 801 31.689 31.689 32.029 -0.340 25870 10195 1 15 . 1 1 802 802 ASN N N 802 115.164 115.164 116.576 -1.412 25870 10196 1 15 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.707 0.053 25870 10197 1 15 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.746 0.252 25870 10198 1 15 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.705 -1.753 25870 10199 1 15 . 1 1 802 802 ASN H H 802 8.949 8.949 7.634 1.315 25870 10200 1 15 . 1 1 803 803 ARG N N 803 117.446 117.446 116.119 1.327 25870 10201 1 15 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.228 -0.398 25870 10202 1 15 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.874 0.014 25870 10203 1 15 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.136 -0.782 25870 10204 1 15 . 1 1 803 803 ARG H H 803 7.958 7.958 7.871 0.087 25870 10205 1 15 . 1 1 804 804 LEU N N 804 123.307 123.307 116.769 6.538 25870 10206 1 15 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.692 -0.536 25870 10207 1 15 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.390 1.983 25870 10208 1 15 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.686 1.244 25870 10209 1 15 . 1 1 804 804 LEU H H 804 10.591 10.591 8.027 2.564 25870 10210 1 15 . 1 1 805 805 GLY N N 805 110.516 110.516 107.475 3.041 25870 10211 1 15 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.770 -0.827 25870 10212 1 15 . 1 1 805 805 GLY H H 805 11.001 11.001 8.548 2.453 25870 10213 1 15 . 1 1 806 806 VAL N N 806 109.840 109.840 115.409 -5.569 25870 10214 1 15 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.343 0.228 25870 10215 1 15 . 1 1 806 806 VAL CA C 806 58.566 58.566 60.159 -1.593 25870 10216 1 15 . 1 1 806 806 VAL CB C 806 36.853 36.853 34.898 1.955 25870 10217 1 15 . 1 1 806 806 VAL H H 806 6.831 6.831 7.094 -0.263 25870 10218 1 15 . 1 1 807 807 VAL N N 807 122.184 122.184 122.216 -0.032 25870 10219 1 15 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.638 -0.471 25870 10220 1 15 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.751 0.893 25870 10221 1 15 . 1 1 807 807 VAL CB C 807 32.383 32.383 31.239 1.144 25870 10222 1 15 . 1 1 807 807 VAL H H 807 9.007 9.007 8.921 0.086 25870 10223 1 15 . 1 1 808 808 THR N N 808 117.391 117.391 117.530 -0.139 25870 10224 1 15 . 1 1 808 808 THR HA H 808 4.593 4.593 4.582 0.011 25870 10225 1 15 . 1 1 808 808 THR CA C 808 60.615 60.615 58.876 1.739 25870 10226 1 15 . 1 1 808 808 THR CB C 808 70.695 70.695 71.497 -0.802 25870 10227 1 15 . 1 1 808 808 THR H H 808 7.925 7.925 7.465 0.460 25870 10228 1 15 . 1 1 809 809 PHE N N 809 122.236 122.236 118.359 3.877 25870 10229 1 15 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.678 -1.038 25870 10230 1 15 . 1 1 809 809 PHE CA C 809 61.749 61.749 60.839 0.910 25870 10231 1 15 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.689 0.488 25870 10232 1 15 . 1 1 809 809 PHE H H 809 9.349 9.349 7.896 1.453 25870 10233 1 15 . 1 1 810 810 GLN N N 810 116.788 116.788 116.637 0.151 25870 10234 1 15 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.251 -0.653 25870 10235 1 15 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.489 1.093 25870 10236 1 15 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.594 -0.395 25870 10237 1 15 . 1 1 810 810 GLN H H 810 8.572 8.572 7.731 0.841 25870 10238 1 15 . 1 1 811 811 ALA N N 811 121.208 121.208 122.407 -1.199 25870 10239 1 15 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.172 -0.053 25870 10240 1 15 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.695 1.216 25870 10241 1 15 . 1 1 811 811 ALA CB C 811 19.265 19.265 19.114 0.151 25870 10242 1 15 . 1 1 811 811 ALA H H 811 7.667 7.667 7.413 0.254 25870 10243 1 15 . 1 1 812 812 PHE N N 812 119.805 119.805 118.036 1.769 25870 10244 1 15 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.288 -0.308 25870 10245 1 15 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.098 -0.358 25870 10246 1 15 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.286 1.384 25870 10247 1 15 . 1 1 812 812 PHE H H 812 8.400 8.400 7.891 0.509 25870 10248 1 15 . 1 1 813 813 ILE N N 813 118.098 118.098 118.678 -0.580 25870 10249 1 15 . 1 1 813 813 ILE HA H 813 3.146 3.146 4.014 -0.868 25870 10250 1 15 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.831 0.468 25870 10251 1 15 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.447 -0.244 25870 10252 1 15 . 1 1 813 813 ILE H H 813 8.364 8.364 7.851 0.513 25870 10253 1 15 . 1 1 814 814 ASP N N 814 123.528 123.528 120.478 3.050 25870 10254 1 15 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.372 -0.176 25870 10255 1 15 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.840 -0.160 25870 10256 1 15 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.783 -0.547 25870 10257 1 15 . 1 1 814 814 ASP H H 814 8.221 8.221 8.592 -0.371 25870 10258 1 15 . 1 1 815 815 PHE N N 815 120.584 120.584 120.568 0.016 25870 10259 1 15 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.464 -0.335 25870 10260 1 15 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.860 0.224 25870 10261 1 15 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.584 0.114 25870 10262 1 15 . 1 1 815 815 PHE H H 815 7.887 7.887 7.953 -0.066 25870 10263 1 15 . 1 1 816 816 MET N N 816 116.960 116.960 120.216 -3.256 25870 10264 1 15 . 1 1 816 816 MET HA H 816 3.782 3.782 4.072 -0.290 25870 10265 1 15 . 1 1 816 816 MET CA C 816 55.662 55.662 57.165 -1.503 25870 10266 1 15 . 1 1 816 816 MET CB C 816 30.033 30.033 31.284 -1.251 25870 10267 1 15 . 1 1 816 816 MET H H 816 8.372 8.372 8.271 0.101 25870 10268 1 15 . 1 1 817 817 SER N N 817 114.277 114.277 115.421 -1.144 25870 10269 1 15 . 1 1 817 817 SER HA H 817 4.194 4.194 4.271 -0.077 25870 10270 1 15 . 1 1 817 817 SER CA C 817 60.521 60.521 60.951 -0.430 25870 10271 1 15 . 1 1 817 817 SER CB C 817 63.185 63.185 62.784 0.401 25870 10272 1 15 . 1 1 817 817 SER H H 817 8.074 8.074 8.559 -0.485 25870 10273 1 15 . 1 1 818 818 ARG N N 818 121.493 121.493 119.754 1.739 25870 10274 1 15 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.165 -0.041 25870 10275 1 15 . 1 1 818 818 ARG CA C 818 57.684 57.684 56.677 1.007 25870 10276 1 15 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.060 1.255 25870 10277 1 15 . 1 1 818 818 ARG H H 818 7.288 7.288 8.084 -0.796 25870 10278 1 15 . 1 1 819 819 GLU N N 819 119.737 119.737 119.035 0.702 25870 10279 1 15 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.099 0.002 25870 10280 1 15 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.714 -1.648 25870 10281 1 15 . 1 1 819 819 GLU CB C 819 30.491 30.491 28.803 1.688 25870 10282 1 15 . 1 1 819 819 GLU H H 819 8.045 8.045 7.562 0.483 25870 10283 1 15 . 1 1 820 820 THR N N 820 112.128 112.128 109.609 2.519 25870 10284 1 15 . 1 1 820 820 THR HA H 820 4.280 4.280 2.982 1.298 25870 10285 1 15 . 1 1 820 820 THR CA C 820 62.055 62.055 63.394 -1.339 25870 10286 1 15 . 1 1 820 820 THR CB C 820 69.828 69.828 68.437 1.391 25870 10287 1 15 . 1 1 820 820 THR H H 820 7.760 7.760 7.332 0.428 25870 10288 1 15 . 1 1 821 821 ALA N N 821 126.098 126.098 123.624 2.474 25870 10289 1 15 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.240 0.044 25870 10290 1 15 . 1 1 821 821 ALA CA C 821 52.726 52.726 51.472 1.254 25870 10291 1 15 . 1 1 821 821 ALA CB C 821 19.304 19.304 19.453 -0.149 25870 10292 1 15 . 1 1 821 821 ALA H H 821 7.957 7.957 7.389 0.568 25870 10293 1 15 . 1 1 822 822 ASP N N 822 119.904 119.904 118.969 0.935 25870 10294 1 15 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.922 -0.309 25870 10295 1 15 . 1 1 822 822 ASP CA C 822 54.335 54.335 53.719 0.616 25870 10296 1 15 . 1 1 822 822 ASP CB C 822 41.032 41.032 42.510 -1.478 25870 10297 1 15 . 1 1 822 822 ASP H H 822 8.352 8.352 8.331 0.021 25870 10298 1 15 . 1 1 823 823 THR N N 823 114.142 114.142 117.055 -2.913 25870 10299 1 15 . 1 1 823 823 THR HA H 823 4.278 4.278 4.638 -0.360 25870 10300 1 15 . 1 1 823 823 THR CA C 823 62.117 62.117 61.480 0.637 25870 10301 1 15 . 1 1 823 823 THR CB C 823 69.584 69.584 72.266 -2.682 25870 10302 1 15 . 1 1 823 823 THR H H 823 8.079 8.079 8.342 -0.263 25870 10303 1 15 . 1 1 824 824 ASP N N 824 123.261 123.261 123.842 -0.581 25870 10304 1 15 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.525 0.132 25870 10305 1 15 . 1 1 824 824 ASP CA C 824 54.786 54.786 56.773 -1.987 25870 10306 1 15 . 1 1 824 824 ASP CB C 824 41.085 41.085 40.985 0.100 25870 10307 1 15 . 1 1 824 824 ASP H H 824 8.431 8.431 9.019 -0.588 25870 10308 1 15 . 1 1 825 825 THR N N 825 114.932 114.932 111.168 3.764 25870 10309 1 15 . 1 1 825 825 THR HA H 825 4.161 4.161 4.334 -0.173 25870 10310 1 15 . 1 1 825 825 THR CA C 825 63.109 63.109 63.606 -0.497 25870 10311 1 15 . 1 1 825 825 THR CB C 825 69.455 69.455 68.906 0.549 25870 10312 1 15 . 1 1 825 825 THR H H 825 8.155 8.155 8.468 -0.313 25870 10313 1 15 . 1 1 826 826 ALA N N 826 124.961 124.961 124.724 0.237 25870 10314 1 15 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.082 0.078 25870 10315 1 15 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.651 -0.259 25870 10316 1 15 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.520 0.090 25870 10317 1 15 . 1 1 826 826 ALA H H 826 8.379 8.379 7.548 0.831 25870 10318 1 15 . 1 1 827 827 ASP N N 827 117.765 117.765 117.879 -0.114 25870 10319 1 15 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.412 0.013 25870 10320 1 15 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.370 -1.319 25870 10321 1 15 . 1 1 827 827 ASP CB C 827 40.559 40.559 40.994 -0.435 25870 10322 1 15 . 1 1 827 827 ASP H H 827 8.250 8.250 7.980 0.270 25870 10323 1 15 . 1 1 828 828 GLN N N 828 120.523 120.523 118.045 2.478 25870 10324 1 15 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.086 0.005 25870 10325 1 15 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.321 -0.507 25870 10326 1 15 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.708 -0.159 25870 10327 1 15 . 1 1 828 828 GLN H H 828 8.076 8.076 7.787 0.289 25870 10328 1 15 . 1 1 829 829 VAL N N 829 120.970 120.970 120.631 0.339 25870 10329 1 15 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.773 -0.248 25870 10330 1 15 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.277 0.917 25870 10331 1 15 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.950 -0.409 25870 10332 1 15 . 1 1 829 829 VAL H H 829 8.051 8.051 7.283 0.768 25870 10333 1 15 . 1 1 830 830 MET N N 830 119.572 119.572 117.494 2.078 25870 10334 1 15 . 1 1 830 830 MET HA H 830 4.006 4.006 3.110 0.896 25870 10335 1 15 . 1 1 830 830 MET CA C 830 57.977 57.977 57.332 0.645 25870 10336 1 15 . 1 1 830 830 MET CB C 830 31.995 31.995 31.412 0.583 25870 10337 1 15 . 1 1 830 830 MET H H 830 8.110 8.110 7.961 0.149 25870 10338 1 15 . 1 1 831 831 ALA N N 831 121.059 121.059 122.516 -1.457 25870 10339 1 15 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.967 0.078 25870 10340 1 15 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.341 0.160 25870 10341 1 15 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.795 0.272 25870 10342 1 15 . 1 1 831 831 ALA H H 831 7.836 7.836 7.392 0.444 25870 10343 1 15 . 1 1 832 832 SER N N 832 114.256 114.256 116.026 -1.770 25870 10344 1 15 . 1 1 832 832 SER HA H 832 4.141 4.141 4.069 0.072 25870 10345 1 15 . 1 1 832 832 SER CA C 832 60.845 60.845 61.633 -0.788 25870 10346 1 15 . 1 1 832 832 SER CB C 832 62.613 62.613 62.796 -0.183 25870 10347 1 15 . 1 1 832 832 SER H H 832 7.714 7.714 7.442 0.272 25870 10348 1 15 . 1 1 833 833 PHE N N 833 121.847 121.847 119.704 2.143 25870 10349 1 15 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.199 -0.376 25870 10350 1 15 . 1 1 833 833 PHE CA C 833 58.627 58.627 57.715 0.912 25870 10351 1 15 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.606 0.521 25870 10352 1 15 . 1 1 833 833 PHE H H 833 7.740 7.740 7.716 0.024 25870 10353 1 15 . 1 1 834 834 LYS N N 834 118.759 118.759 120.274 -1.515 25870 10354 1 15 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.475 0.114 25870 10355 1 15 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.268 1.116 25870 10356 1 15 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.773 0.370 25870 10357 1 15 . 1 1 834 834 LYS H H 834 7.843 7.843 7.729 0.114 25870 10358 1 15 . 1 1 835 835 ILE N N 835 118.537 118.537 120.059 -1.522 25870 10359 1 15 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.726 0.010 25870 10360 1 15 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.721 -1.006 25870 10361 1 15 . 1 1 835 835 ILE CB C 835 37.825 37.825 38.021 -0.196 25870 10362 1 15 . 1 1 835 835 ILE H H 835 7.315 7.315 7.370 -0.055 25870 10363 1 15 . 1 1 836 836 LEU N N 836 121.201 121.201 119.803 1.398 25870 10364 1 15 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.922 0.033 25870 10365 1 15 . 1 1 836 836 LEU CA C 836 57.074 57.074 56.931 0.143 25870 10366 1 15 . 1 1 836 836 LEU CB C 836 42.415 42.415 42.091 0.324 25870 10367 1 15 . 1 1 836 836 LEU H H 836 7.625 7.625 7.746 -0.121 25870 10368 1 15 . 1 1 837 837 ALA N N 837 119.184 119.184 118.157 1.027 25870 10369 1 15 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.981 -0.086 25870 10370 1 15 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.710 -0.409 25870 10371 1 15 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.727 -0.390 25870 10372 1 15 . 1 1 837 837 ALA H H 837 8.099 8.099 7.733 0.366 25870 10373 1 15 . 1 1 838 838 GLY N N 838 107.030 107.030 107.378 -0.348 25870 10374 1 15 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.254 0.664 25870 10375 1 15 . 1 1 838 838 GLY H H 838 7.676 7.676 8.156 -0.480 25870 10376 1 15 . 1 1 839 839 ASP N N 839 122.291 122.291 124.978 -2.687 25870 10377 1 15 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.828 -0.351 25870 10378 1 15 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.077 1.434 25870 10379 1 15 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.702 -1.521 25870 10380 1 15 . 1 1 839 839 ASP H H 839 8.704 8.704 8.394 0.310 25870 10381 1 15 . 1 1 840 840 LYS N N 840 117.582 117.582 120.310 -2.728 25870 10382 1 15 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.409 -0.108 25870 10383 1 15 . 1 1 840 840 LYS CA C 840 55.780 55.780 56.327 -0.547 25870 10384 1 15 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.011 0.699 25870 10385 1 15 . 1 1 840 840 LYS H H 840 7.583 7.583 7.313 0.270 25870 10386 1 15 . 1 1 841 841 ASN N N 841 116.678 116.678 117.495 -0.817 25870 10387 1 15 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.568 0.043 25870 10388 1 15 . 1 1 841 841 ASN CA C 841 53.466 53.466 54.339 -0.873 25870 10389 1 15 . 1 1 841 841 ASN CB C 841 39.155 39.155 38.836 0.319 25870 10390 1 15 . 1 1 841 841 ASN H H 841 8.693 8.693 8.890 -0.197 25870 10391 1 15 . 1 1 842 842 TYR N N 842 112.236 112.236 113.999 -1.763 25870 10392 1 15 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.977 0.009 25870 10393 1 15 . 1 1 842 842 TYR CA C 842 54.918 54.918 55.915 -0.997 25870 10394 1 15 . 1 1 842 842 TYR CB C 842 40.595 40.595 41.151 -0.555 25870 10395 1 15 . 1 1 842 842 TYR H H 842 6.637 6.637 7.306 -0.669 25870 10396 1 15 . 1 1 843 843 ILE N N 843 115.475 115.475 122.125 -6.650 25870 10397 1 15 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.754 0.038 25870 10398 1 15 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.253 0.704 25870 10399 1 15 . 1 1 843 843 ILE CB C 843 43.009 43.009 43.241 -0.232 25870 10400 1 15 . 1 1 843 843 ILE H H 843 8.630 8.630 9.336 -0.706 25870 10401 1 15 . 1 1 844 844 THR N N 844 117.169 117.169 118.484 -1.315 25870 10402 1 15 . 1 1 844 844 THR HA H 844 5.370 5.370 5.242 0.128 25870 10403 1 15 . 1 1 844 844 THR CA C 844 60.177 60.177 60.310 -0.133 25870 10404 1 15 . 1 1 844 844 THR CB C 844 71.088 71.088 70.555 0.533 25870 10405 1 15 . 1 1 844 844 THR H H 844 9.330 9.330 9.075 0.255 25870 10406 1 15 . 1 1 845 845 MET N N 845 119.860 119.860 120.464 -0.604 25870 10407 1 15 . 1 1 845 845 MET HA H 845 3.824 3.824 3.954 -0.130 25870 10408 1 15 . 1 1 845 845 MET CA C 845 60.321 60.321 60.617 -0.296 25870 10409 1 15 . 1 1 845 845 MET CB C 845 33.030 33.030 32.156 0.874 25870 10410 1 15 . 1 1 845 845 MET H H 845 8.556 8.556 8.667 -0.111 25870 10411 1 15 . 1 1 846 846 ASP N N 846 116.363 116.363 117.601 -1.238 25870 10412 1 15 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.429 -0.149 25870 10413 1 15 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.337 1.067 25870 10414 1 15 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.084 0.500 25870 10415 1 15 . 1 1 846 846 ASP H H 846 8.377 8.377 8.625 -0.248 25870 10416 1 15 . 1 1 847 847 GLU N N 847 120.577 120.577 118.979 1.598 25870 10417 1 15 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.131 -0.277 25870 10418 1 15 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.757 0.900 25870 10419 1 15 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.103 -0.443 25870 10420 1 15 . 1 1 847 847 GLU H H 847 7.855 7.855 7.726 0.129 25870 10421 1 15 . 1 1 848 848 LEU N N 848 118.714 118.714 119.412 -0.698 25870 10422 1 15 . 1 1 848 848 LEU HA H 848 3.822 3.822 3.897 -0.075 25870 10423 1 15 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.631 1.094 25870 10424 1 15 . 1 1 848 848 LEU CB C 848 42.457 42.457 41.798 0.659 25870 10425 1 15 . 1 1 848 848 LEU H H 848 7.849 7.849 7.570 0.279 25870 10426 1 15 . 1 1 849 849 ARG N N 849 113.972 113.972 115.063 -1.091 25870 10427 1 15 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.393 -0.469 25870 10428 1 15 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.064 1.531 25870 10429 1 15 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.394 0.706 25870 10430 1 15 . 1 1 849 849 ARG H H 849 8.053 8.053 7.615 0.438 25870 10431 1 15 . 1 1 850 850 ARG N N 850 118.178 118.178 118.191 -0.013 25870 10432 1 15 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.399 -0.206 25870 10433 1 15 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.675 0.570 25870 10434 1 15 . 1 1 850 850 ARG CB C 850 31.120 31.120 30.980 0.140 25870 10435 1 15 . 1 1 850 850 ARG H H 850 7.743 7.743 7.448 0.295 25870 10436 1 15 . 1 1 851 851 GLU N N 851 115.518 115.518 119.263 -3.745 25870 10437 1 15 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.318 0.032 25870 10438 1 15 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.737 -0.851 25870 10439 1 15 . 1 1 851 851 GLU CB C 851 31.590 31.590 30.909 0.681 25870 10440 1 15 . 1 1 851 851 GLU H H 851 7.596 7.596 7.800 -0.204 25870 10441 1 15 . 1 1 852 852 LEU N N 852 119.148 119.148 121.467 -2.319 25870 10442 1 15 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.075 -0.181 25870 10443 1 15 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.503 0.671 25870 10444 1 15 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.953 0.516 25870 10445 1 15 . 1 1 852 852 LEU H H 852 7.890 7.890 7.995 -0.105 25870 10446 1 15 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.468 -0.121 25870 10447 1 15 . 1 1 853 853 PRO CA C 853 65.119 65.119 63.889 1.230 25870 10448 1 15 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.262 1.369 25870 10449 1 15 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.483 -0.213 25870 10450 1 15 . 1 1 854 854 PRO CA C 854 66.336 66.336 62.021 4.315 25870 10451 1 15 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.019 -0.763 25870 10452 1 15 . 1 1 855 855 ASP N N 855 114.865 114.865 118.951 -4.086 25870 10453 1 15 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.377 -0.028 25870 10454 1 15 . 1 1 855 855 ASP CA C 855 56.913 56.913 56.772 0.141 25870 10455 1 15 . 1 1 855 855 ASP CB C 855 39.244 39.244 39.854 -0.610 25870 10456 1 15 . 1 1 855 855 ASP H H 855 8.801 8.801 8.383 0.418 25870 10457 1 15 . 1 1 856 856 GLN N N 856 121.465 121.465 118.560 2.905 25870 10458 1 15 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.243 -0.044 25870 10459 1 15 . 1 1 856 856 GLN CA C 856 58.317 58.317 58.824 -0.507 25870 10460 1 15 . 1 1 856 856 GLN CB C 856 29.247 29.247 27.985 1.262 25870 10461 1 15 . 1 1 856 856 GLN H H 856 7.472 7.472 8.229 -0.757 25870 10462 1 15 . 1 1 857 857 ALA N N 857 122.805 122.805 122.646 0.159 25870 10463 1 15 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.816 -0.017 25870 10464 1 15 . 1 1 857 857 ALA CA C 857 56.303 56.303 55.921 0.382 25870 10465 1 15 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.331 -0.387 25870 10466 1 15 . 1 1 857 857 ALA H H 857 8.882 8.882 8.031 0.851 25870 10467 1 15 . 1 1 858 858 GLU N N 858 114.094 114.094 118.515 -4.421 25870 10468 1 15 . 1 1 858 858 GLU HA H 858 4.024 4.024 3.951 0.073 25870 10469 1 15 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.634 0.048 25870 10470 1 15 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.238 -0.600 25870 10471 1 15 . 1 1 858 858 GLU H H 858 8.155 8.155 8.176 -0.021 25870 10472 1 15 . 1 1 859 859 TYR N N 859 120.665 120.665 122.277 -1.612 25870 10473 1 15 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.179 -0.095 25870 10474 1 15 . 1 1 859 859 TYR CA C 859 61.006 61.006 61.007 -0.001 25870 10475 1 15 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.210 0.477 25870 10476 1 15 . 1 1 859 859 TYR H H 859 7.708 7.708 8.624 -0.916 25870 10477 1 15 . 1 1 860 860 CYS N N 860 115.812 115.812 117.103 -1.291 25870 10478 1 15 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.435 0.723 25870 10479 1 15 . 1 1 860 860 CYS CA C 860 64.254 64.254 63.977 0.277 25870 10480 1 15 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.987 0.317 25870 10481 1 15 . 1 1 860 860 CYS H H 860 8.113 8.113 7.729 0.384 25870 10482 1 15 . 1 1 861 861 ILE N N 861 120.078 120.078 120.109 -0.031 25870 10483 1 15 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.614 -0.275 25870 10484 1 15 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.422 0.221 25870 10485 1 15 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.695 1.019 25870 10486 1 15 . 1 1 861 861 ILE H H 861 8.453 8.453 7.984 0.469 25870 10487 1 15 . 1 1 862 862 ALA N N 862 116.691 116.691 121.504 -4.813 25870 10488 1 15 . 1 1 862 862 ALA HA H 862 4.209 4.209 3.999 0.210 25870 10489 1 15 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.644 -1.422 25870 10490 1 15 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.609 0.393 25870 10491 1 15 . 1 1 862 862 ALA H H 862 7.307 7.307 8.176 -0.869 25870 10492 1 15 . 1 1 863 863 ARG N N 863 117.226 117.226 116.048 1.178 25870 10493 1 15 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.536 -0.262 25870 10494 1 15 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.410 -0.359 25870 10495 1 15 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.988 0.402 25870 10496 1 15 . 1 1 863 863 ARG H H 863 7.358 7.358 7.434 -0.075 25870 10497 1 15 . 1 1 864 864 MET N N 864 117.583 117.583 118.597 -1.014 25870 10498 1 15 . 1 1 864 864 MET HA H 864 4.561 4.561 4.441 0.120 25870 10499 1 15 . 1 1 864 864 MET CA C 864 54.927 54.927 55.940 -1.013 25870 10500 1 15 . 1 1 864 864 MET CB C 864 37.418 37.418 34.060 3.358 25870 10501 1 15 . 1 1 864 864 MET H H 864 7.153 7.153 7.411 -0.258 25870 10502 1 15 . 1 1 865 865 ALA N N 865 124.643 124.643 125.553 -0.910 25870 10503 1 15 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.588 -0.722 25870 10504 1 15 . 1 1 865 865 ALA CA C 865 49.194 49.194 50.100 -0.906 25870 10505 1 15 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.374 0.273 25870 10506 1 15 . 1 1 865 865 ALA H H 865 8.557 8.557 8.215 0.342 25870 10507 1 15 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.489 0.007 25870 10508 1 15 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.906 -0.182 25870 10509 1 15 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.428 1.552 25870 10510 1 15 . 1 1 867 867 TYR N N 867 122.461 122.461 126.477 -4.016 25870 10511 1 15 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.549 0.179 25870 10512 1 15 . 1 1 867 867 TYR CA C 867 57.096 57.096 56.394 0.702 25870 10513 1 15 . 1 1 867 867 TYR CB C 867 39.175 39.175 37.693 1.482 25870 10514 1 15 . 1 1 867 867 TYR H H 867 8.128 8.128 8.040 0.088 25870 10515 1 15 . 1 1 868 868 THR HA H 868 4.351 4.351 4.550 -0.199 25870 10516 1 15 . 1 1 868 868 THR CA C 868 60.271 60.271 59.700 0.571 25870 10517 1 15 . 1 1 868 868 THR CB C 868 68.737 68.737 71.510 -2.773 25870 10518 1 15 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.437 -0.522 25870 10519 1 15 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.454 -0.125 25870 10520 1 15 . 1 1 870 870 PRO CA C 870 64.697 64.697 63.861 0.836 25870 10521 1 15 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.287 -0.708 25870 10522 1 15 . 1 1 871 871 ASP N N 871 116.207 116.207 118.207 -2.000 25870 10523 1 15 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.741 -0.137 25870 10524 1 15 . 1 1 871 871 ASP CA C 871 52.749 52.749 53.690 -0.941 25870 10525 1 15 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.656 -1.727 25870 10526 1 15 . 1 1 871 871 ASP H H 871 9.267 9.267 8.308 0.959 25870 10527 1 15 . 1 1 872 872 SER N N 872 112.349 112.349 113.834 -1.485 25870 10528 1 15 . 1 1 872 872 SER HA H 872 3.497 3.497 4.625 -1.128 25870 10529 1 15 . 1 1 872 872 SER CA C 872 59.065 59.065 57.024 2.041 25870 10530 1 15 . 1 1 872 872 SER CB C 872 63.125 63.125 64.806 -1.681 25870 10531 1 15 . 1 1 872 872 SER H H 872 7.487 7.487 7.397 0.090 25870 10532 1 15 . 1 1 873 873 VAL N N 873 113.567 113.567 114.506 -0.939 25870 10533 1 15 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.606 0.123 25870 10534 1 15 . 1 1 873 873 VAL CA C 873 58.044 58.044 58.361 -0.317 25870 10535 1 15 . 1 1 873 873 VAL CB C 873 32.911 32.911 31.965 0.946 25870 10536 1 15 . 1 1 873 873 VAL H H 873 6.411 6.411 8.139 -1.728 25870 10537 1 15 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.497 -0.201 25870 10538 1 15 . 1 1 874 874 PRO CA C 874 64.335 64.335 62.751 1.584 25870 10539 1 15 . 1 1 874 874 PRO CB C 874 31.515 31.515 30.141 1.374 25870 10540 1 15 . 1 1 875 875 GLY N N 875 112.118 112.118 106.595 5.523 25870 10541 1 15 . 1 1 875 875 GLY CA C 875 45.557 45.557 45.823 -0.266 25870 10542 1 15 . 1 1 875 875 GLY H H 875 8.800 8.800 8.207 0.593 25870 10543 1 15 . 1 1 876 876 ALA N N 876 120.262 120.262 123.940 -3.678 25870 10544 1 15 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.530 -1.430 25870 10545 1 15 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.325 2.748 25870 10546 1 15 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.577 -1.069 25870 10547 1 15 . 1 1 876 876 ALA H H 876 7.762 7.762 7.813 -0.051 25870 10548 1 15 . 1 1 877 877 LEU N N 877 125.695 125.695 121.779 3.916 25870 10549 1 15 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.137 -0.361 25870 10550 1 15 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.669 0.600 25870 10551 1 15 . 1 1 877 877 LEU CB C 877 44.799 44.799 46.944 -2.145 25870 10552 1 15 . 1 1 877 877 LEU H H 877 9.595 9.595 9.303 0.292 25870 10553 1 15 . 1 1 878 878 ASP N N 878 119.823 119.823 122.041 -2.218 25870 10554 1 15 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.503 0.376 25870 10555 1 15 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.899 -0.902 25870 10556 1 15 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.616 -0.835 25870 10557 1 15 . 1 1 878 878 ASP H H 878 9.031 9.031 7.862 1.169 25870 10558 1 15 . 1 1 879 879 TYR N N 879 126.556 126.556 123.069 3.487 25870 10559 1 15 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.373 0.218 25870 10560 1 15 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.963 -0.567 25870 10561 1 15 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.884 -0.563 25870 10562 1 15 . 1 1 879 879 TYR H H 879 7.456 7.456 7.943 -0.487 25870 10563 1 15 . 1 1 880 880 MET N N 880 119.958 119.958 113.165 6.793 25870 10564 1 15 . 1 1 880 880 MET HA H 880 4.605 4.605 4.807 -0.202 25870 10565 1 15 . 1 1 880 880 MET CA C 880 56.044 56.044 56.666 -0.622 25870 10566 1 15 . 1 1 880 880 MET CB C 880 30.101 30.101 33.869 -3.768 25870 10567 1 15 . 1 1 880 880 MET H H 880 7.627 7.627 7.282 0.345 25870 10568 1 15 . 1 1 881 881 SER N N 881 114.328 114.328 115.238 -0.910 25870 10569 1 15 . 1 1 881 881 SER HA H 881 4.471 4.471 4.612 -0.141 25870 10570 1 15 . 1 1 881 881 SER CA C 881 58.917 58.917 57.816 1.101 25870 10571 1 15 . 1 1 881 881 SER CB C 881 64.447 64.447 63.842 0.605 25870 10572 1 15 . 1 1 881 881 SER H H 881 7.726 7.726 8.437 -0.711 25870 10573 1 15 . 1 1 882 882 PHE N N 882 122.735 122.735 120.797 1.938 25870 10574 1 15 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.422 0.300 25870 10575 1 15 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.431 1.800 25870 10576 1 15 . 1 1 882 882 PHE CB C 882 40.285 40.285 38.986 1.299 25870 10577 1 15 . 1 1 882 882 PHE H H 882 7.385 7.385 7.869 -0.484 25870 10578 1 15 . 1 1 883 883 SER N N 883 120.156 120.156 115.196 4.960 25870 10579 1 15 . 1 1 883 883 SER HA H 883 4.299 4.299 4.484 -0.185 25870 10580 1 15 . 1 1 883 883 SER CA C 883 57.280 57.280 56.866 0.414 25870 10581 1 15 . 1 1 883 883 SER CB C 883 64.601 64.601 65.742 -1.141 25870 10582 1 15 . 1 1 883 883 SER H H 883 7.472 7.472 8.469 -0.997 25870 10583 1 15 . 1 1 884 884 THR N N 884 110.683 110.683 115.387 -4.704 25870 10584 1 15 . 1 1 884 884 THR HA H 884 3.966 3.966 4.302 -0.336 25870 10585 1 15 . 1 1 884 884 THR CA C 884 63.465 63.465 63.531 -0.066 25870 10586 1 15 . 1 1 884 884 THR CB C 884 68.899 68.899 69.235 -0.336 25870 10587 1 15 . 1 1 884 884 THR H H 884 7.996 7.996 8.182 -0.186 25870 10588 1 15 . 1 1 885 885 ALA N N 885 125.456 125.456 125.424 0.032 25870 10589 1 15 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.174 0.062 25870 10590 1 15 . 1 1 885 885 ALA CA C 885 52.030 52.030 52.126 -0.096 25870 10591 1 15 . 1 1 885 885 ALA CB C 885 19.225 19.225 19.385 -0.160 25870 10592 1 15 . 1 1 885 885 ALA H H 885 7.905 7.905 7.517 0.388 25870 10593 1 15 . 1 1 886 886 LEU N N 886 120.638 120.638 122.994 -2.356 25870 10594 1 15 . 1 1 886 886 LEU HA H 886 4.002 4.002 4.035 -0.033 25870 10595 1 15 . 1 1 886 886 LEU CA C 886 55.462 55.462 54.891 0.571 25870 10596 1 15 . 1 1 886 886 LEU CB C 886 42.265 42.265 42.229 0.036 25870 10597 1 15 . 1 1 886 886 LEU H H 886 8.079 8.079 8.124 -0.045 25870 10598 1 15 . 1 1 887 887 TYR N N 887 121.526 121.526 121.090 0.436 25870 10599 1 15 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.223 0.133 25870 10600 1 15 . 1 1 887 887 TYR CA C 887 58.750 58.750 58.681 0.069 25870 10601 1 15 . 1 1 887 887 TYR CB C 887 38.569 38.569 37.874 0.695 25870 10602 1 15 . 1 1 887 887 TYR H H 887 8.267 8.267 8.295 -0.028 25870 10603 1 15 . 1 1 888 888 GLY N N 888 112.379 112.379 108.524 3.855 25870 10604 1 15 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.490 0.600 25870 10605 1 15 . 1 1 888 888 GLY H H 888 8.087 8.087 7.494 0.593 25870 10606 1 15 . 1 1 889 889 GLU N N 889 120.255 120.255 120.902 -0.647 25870 10607 1 15 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.599 -0.343 25870 10608 1 15 . 1 1 889 889 GLU CA C 889 56.445 56.445 56.139 0.306 25870 10609 1 15 . 1 1 889 889 GLU CB C 889 30.393 30.393 30.101 0.292 25870 10610 1 15 . 1 1 889 889 GLU H H 889 7.994 7.994 8.635 -0.641 25870 10611 1 15 . 1 1 890 890 SER N N 890 116.375 116.375 118.934 -2.559 25870 10612 1 15 . 1 1 890 890 SER HA H 890 4.415 4.415 4.750 -0.335 25870 10613 1 15 . 1 1 890 890 SER CA C 890 58.204 58.204 58.567 -0.363 25870 10614 1 15 . 1 1 890 890 SER CB C 890 63.913 63.913 63.767 0.146 25870 10615 1 15 . 1 1 890 890 SER H H 890 8.329 8.329 8.537 -0.208 25870 10616 1 15 . 1 1 891 891 ASP N N 891 123.017 123.017 121.006 2.011 25870 10617 1 15 . 1 1 891 891 ASP HA H 891 4.610 4.610 5.178 -0.568 25870 10618 1 15 . 1 1 891 891 ASP CA C 891 54.371 54.371 53.671 0.700 25870 10619 1 15 . 1 1 891 891 ASP CB C 891 41.013 41.013 42.576 -1.563 25870 10620 1 15 . 1 1 891 891 ASP H H 891 8.394 8.394 8.186 0.208 25870 10621 1 16 . 1 1 742 742 SER HA H 742 4.525 4.525 3.989 0.536 25870 10622 1 16 . 1 1 742 742 SER CA C 742 58.148 58.148 59.417 -1.269 25870 10623 1 16 . 1 1 742 742 SER CB C 742 63.791 63.791 62.983 0.808 25870 10624 1 16 . 1 1 743 743 ILE N N 743 122.172 122.172 120.742 1.430 25870 10625 1 16 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.158 0.204 25870 10626 1 16 . 1 1 743 743 ILE CA C 743 60.421 60.421 61.876 -1.455 25870 10627 1 16 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.825 0.341 25870 10628 1 16 . 1 1 743 743 ILE H H 743 8.132 8.132 8.006 0.126 25870 10629 1 16 . 1 1 744 744 SER N N 744 123.144 123.144 121.193 1.951 25870 10630 1 16 . 1 1 744 744 SER HA H 744 4.449 4.449 4.575 -0.126 25870 10631 1 16 . 1 1 744 744 SER CA C 744 57.463 57.463 56.946 0.517 25870 10632 1 16 . 1 1 744 744 SER CB C 744 65.219 65.219 64.695 0.524 25870 10633 1 16 . 1 1 744 744 SER H H 744 8.848 8.848 8.392 0.456 25870 10634 1 16 . 1 1 745 745 GLN N N 745 121.619 121.619 123.504 -1.885 25870 10635 1 16 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.116 -0.164 25870 10636 1 16 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.109 -0.341 25870 10637 1 16 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.818 -0.306 25870 10638 1 16 . 1 1 745 745 GLN H H 745 9.042 9.042 8.991 0.051 25870 10639 1 16 . 1 1 746 746 GLU N N 746 118.648 118.648 119.621 -0.973 25870 10640 1 16 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.132 -0.128 25870 10641 1 16 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.989 1.234 25870 10642 1 16 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.497 -0.643 25870 10643 1 16 . 1 1 746 746 GLU H H 746 8.721 8.721 7.720 1.001 25870 10644 1 16 . 1 1 747 747 GLN N N 747 120.463 120.463 120.159 0.304 25870 10645 1 16 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.403 -0.637 25870 10646 1 16 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.835 -0.529 25870 10647 1 16 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.215 0.733 25870 10648 1 16 . 1 1 747 747 GLN H H 747 7.838 7.838 8.461 -0.623 25870 10649 1 16 . 1 1 748 748 MET N N 748 119.252 119.252 115.621 3.631 25870 10650 1 16 . 1 1 748 748 MET HA H 748 4.200 4.200 4.429 -0.229 25870 10651 1 16 . 1 1 748 748 MET CA C 748 58.096 58.096 59.281 -1.185 25870 10652 1 16 . 1 1 748 748 MET CB C 748 30.900 30.900 32.358 -1.458 25870 10653 1 16 . 1 1 748 748 MET H H 748 8.473 8.473 8.242 0.231 25870 10654 1 16 . 1 1 749 749 ASN N N 749 117.740 117.740 118.872 -1.132 25870 10655 1 16 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.484 -0.010 25870 10656 1 16 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.949 -0.154 25870 10657 1 16 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.533 -1.120 25870 10658 1 16 . 1 1 749 749 ASN H H 749 8.334 8.334 7.596 0.738 25870 10659 1 16 . 1 1 750 750 GLU N N 750 122.848 122.848 119.424 3.424 25870 10660 1 16 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.111 0.093 25870 10661 1 16 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.490 0.850 25870 10662 1 16 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.575 -0.391 25870 10663 1 16 . 1 1 750 750 GLU H H 750 7.838 7.838 8.396 -0.558 25870 10664 1 16 . 1 1 751 751 PHE N N 751 120.177 120.177 122.860 -2.683 25870 10665 1 16 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.332 0.689 25870 10666 1 16 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.714 -1.361 25870 10667 1 16 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.394 -1.597 25870 10668 1 16 . 1 1 751 751 PHE H H 751 8.785 8.785 8.616 0.169 25870 10669 1 16 . 1 1 752 752 ARG N N 752 120.528 120.528 120.294 0.234 25870 10670 1 16 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.929 0.231 25870 10671 1 16 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.318 1.386 25870 10672 1 16 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.630 1.338 25870 10673 1 16 . 1 1 752 752 ARG H H 752 9.016 9.016 7.968 1.048 25870 10674 1 16 . 1 1 753 753 ALA N N 753 121.112 121.112 122.280 -1.168 25870 10675 1 16 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.418 -0.173 25870 10676 1 16 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.511 0.820 25870 10677 1 16 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.807 0.016 25870 10678 1 16 . 1 1 753 753 ALA H H 753 8.100 8.100 7.767 0.333 25870 10679 1 16 . 1 1 754 754 SER N N 754 115.589 115.589 115.166 0.423 25870 10680 1 16 . 1 1 754 754 SER HA H 754 4.452 4.452 4.204 0.248 25870 10681 1 16 . 1 1 754 754 SER CA C 754 62.675 62.675 59.868 2.807 25870 10682 1 16 . 1 1 754 754 SER CB C 754 63.359 63.359 62.647 0.712 25870 10683 1 16 . 1 1 754 754 SER H H 754 8.391 8.391 7.775 0.616 25870 10684 1 16 . 1 1 755 755 PHE N N 755 121.886 121.886 118.996 2.890 25870 10685 1 16 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.931 -0.289 25870 10686 1 16 . 1 1 755 755 PHE CA C 755 61.964 61.964 58.935 3.029 25870 10687 1 16 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.444 1.378 25870 10688 1 16 . 1 1 755 755 PHE H H 755 8.675 8.675 7.719 0.956 25870 10689 1 16 . 1 1 756 756 ASN N N 756 113.618 113.618 114.230 -0.612 25870 10690 1 16 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.069 0.358 25870 10691 1 16 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.896 2.715 25870 10692 1 16 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.559 -0.721 25870 10693 1 16 . 1 1 756 756 ASN H H 756 8.593 8.593 7.693 0.900 25870 10694 1 16 . 1 1 757 757 HIS N N 757 119.679 119.679 121.851 -2.172 25870 10695 1 16 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.266 -0.187 25870 10696 1 16 . 1 1 757 757 HIS CA C 757 59.344 59.344 59.352 -0.008 25870 10697 1 16 . 1 1 757 757 HIS CB C 757 29.889 29.889 29.869 0.020 25870 10698 1 16 . 1 1 757 757 HIS H H 757 8.139 8.139 7.523 0.616 25870 10699 1 16 . 1 1 758 758 PHE N N 758 113.051 113.051 116.381 -3.330 25870 10700 1 16 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.353 -0.292 25870 10701 1 16 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.203 2.494 25870 10702 1 16 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.670 -1.935 25870 10703 1 16 . 1 1 758 758 PHE H H 758 7.585 7.585 7.452 0.133 25870 10704 1 16 . 1 1 759 759 ASP N N 759 120.916 120.916 121.558 -0.642 25870 10705 1 16 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.435 0.074 25870 10706 1 16 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.916 -2.745 25870 10707 1 16 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.593 -2.584 25870 10708 1 16 . 1 1 759 759 ASP H H 759 7.423 7.423 7.813 -0.390 25870 10709 1 16 . 1 1 760 760 ARG N N 760 124.819 124.819 126.314 -1.495 25870 10710 1 16 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.042 -0.274 25870 10711 1 16 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.643 -0.368 25870 10712 1 16 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.631 -0.382 25870 10713 1 16 . 1 1 760 760 ARG H H 760 7.781 7.781 8.287 -0.506 25870 10714 1 16 . 1 1 761 761 ASP N N 761 113.673 113.673 112.486 1.187 25870 10715 1 16 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.714 -0.231 25870 10716 1 16 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.475 -1.498 25870 10717 1 16 . 1 1 761 761 ASP CB C 761 39.522 39.522 40.773 -1.251 25870 10718 1 16 . 1 1 761 761 ASP H H 761 7.821 7.821 8.046 -0.225 25870 10719 1 16 . 1 1 762 762 HIS N N 762 114.966 114.966 116.721 -1.755 25870 10720 1 16 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.201 -0.040 25870 10721 1 16 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.898 -0.279 25870 10722 1 16 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.906 -2.526 25870 10723 1 16 . 1 1 762 762 HIS H H 762 7.744 7.744 8.004 -0.260 25870 10724 1 16 . 1 1 763 763 SER N N 763 115.077 115.077 113.731 1.346 25870 10725 1 16 . 1 1 763 763 SER HA H 763 4.336 4.336 4.345 -0.009 25870 10726 1 16 . 1 1 763 763 SER CA C 763 59.860 59.860 59.649 0.211 25870 10727 1 16 . 1 1 763 763 SER CB C 763 65.192 65.192 64.038 1.154 25870 10728 1 16 . 1 1 763 763 SER H H 763 8.726 8.726 8.244 0.482 25870 10729 1 16 . 1 1 764 764 GLY N N 764 116.915 116.915 110.235 6.680 25870 10730 1 16 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.522 -0.073 25870 10731 1 16 . 1 1 764 764 GLY H H 764 11.017 11.017 8.670 2.347 25870 10732 1 16 . 1 1 765 765 THR N N 765 107.334 107.334 110.775 -3.441 25870 10733 1 16 . 1 1 765 765 THR HA H 765 4.829 4.829 5.343 -0.514 25870 10734 1 16 . 1 1 765 765 THR CA C 765 58.759 58.759 60.947 -2.188 25870 10735 1 16 . 1 1 765 765 THR CB C 765 73.383 73.383 71.998 1.385 25870 10736 1 16 . 1 1 765 765 THR H H 765 7.693 7.693 8.171 -0.478 25870 10737 1 16 . 1 1 766 766 LEU N N 766 124.664 124.664 124.431 0.233 25870 10738 1 16 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.871 0.029 25870 10739 1 16 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.606 -1.268 25870 10740 1 16 . 1 1 766 766 LEU CB C 766 42.339 42.339 43.431 -1.092 25870 10741 1 16 . 1 1 766 766 LEU H H 766 9.209 9.209 8.796 0.413 25870 10742 1 16 . 1 1 767 767 GLY N N 767 112.024 112.024 111.984 0.040 25870 10743 1 16 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.871 0.252 25870 10744 1 16 . 1 1 767 767 GLY H H 767 8.910 8.910 9.142 -0.232 25870 10745 1 16 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.570 -0.252 25870 10746 1 16 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.108 1.019 25870 10747 1 16 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.151 -0.123 25870 10748 1 16 . 1 1 769 769 GLU N N 769 115.246 115.246 117.835 -2.589 25870 10749 1 16 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.176 -0.205 25870 10750 1 16 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.922 0.699 25870 10751 1 16 . 1 1 769 769 GLU CB C 769 28.628 28.628 29.188 -0.560 25870 10752 1 16 . 1 1 769 769 GLU H H 769 8.622 8.622 9.019 -0.397 25870 10753 1 16 . 1 1 770 770 GLU N N 770 121.127 121.127 118.375 2.752 25870 10754 1 16 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.296 -0.024 25870 10755 1 16 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.383 0.114 25870 10756 1 16 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.990 1.382 25870 10757 1 16 . 1 1 770 770 GLU H H 770 7.493 7.493 8.045 -0.552 25870 10758 1 16 . 1 1 771 771 PHE N N 771 117.688 117.688 122.595 -4.907 25870 10759 1 16 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.339 0.016 25870 10760 1 16 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.679 -2.054 25870 10761 1 16 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.268 -0.458 25870 10762 1 16 . 1 1 771 771 PHE H H 771 9.110 9.110 8.979 0.131 25870 10763 1 16 . 1 1 772 772 LYS N N 772 119.789 119.789 118.727 1.062 25870 10764 1 16 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.798 -0.485 25870 10765 1 16 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.377 2.295 25870 10766 1 16 . 1 1 772 772 LYS CB C 772 31.979 31.979 31.033 0.946 25870 10767 1 16 . 1 1 772 772 LYS H H 772 8.594 8.594 8.118 0.476 25870 10768 1 16 . 1 1 773 773 ALA N N 773 118.461 118.461 120.807 -2.346 25870 10769 1 16 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.019 -0.138 25870 10770 1 16 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.781 1.232 25870 10771 1 16 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.853 -1.224 25870 10772 1 16 . 1 1 773 773 ALA H H 773 7.231 7.231 7.493 -0.262 25870 10773 1 16 . 1 1 774 774 CYS N N 774 120.913 120.913 119.417 1.496 25870 10774 1 16 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.969 -0.534 25870 10775 1 16 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.813 -0.639 25870 10776 1 16 . 1 1 774 774 CYS CB C 774 26.215 26.215 27.273 -1.058 25870 10777 1 16 . 1 1 774 774 CYS H H 774 7.498 7.498 7.698 -0.200 25870 10778 1 16 . 1 1 775 775 LEU N N 775 119.201 119.201 118.602 0.599 25870 10779 1 16 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.553 0.213 25870 10780 1 16 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.375 1.557 25870 10781 1 16 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.099 -0.149 25870 10782 1 16 . 1 1 775 775 LEU H H 775 8.372 8.372 7.608 0.764 25870 10783 1 16 . 1 1 776 776 ILE N N 776 121.051 121.051 118.511 2.540 25870 10784 1 16 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.544 1.546 25870 10785 1 16 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.129 1.115 25870 10786 1 16 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.249 0.742 25870 10787 1 16 . 1 1 776 776 ILE H H 776 8.358 8.358 6.703 1.655 25870 10788 1 16 . 1 1 777 777 SER N N 777 119.109 119.109 114.781 4.328 25870 10789 1 16 . 1 1 777 777 SER HA H 777 4.291 4.291 4.182 0.109 25870 10790 1 16 . 1 1 777 777 SER CA C 777 61.725 61.725 60.285 1.440 25870 10791 1 16 . 1 1 777 777 SER CB C 777 62.995 62.995 63.198 -0.203 25870 10792 1 16 . 1 1 777 777 SER H H 777 7.822 7.822 7.406 0.416 25870 10793 1 16 . 1 1 778 778 LEU N N 778 121.208 121.208 119.238 1.970 25870 10794 1 16 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.456 0.050 25870 10795 1 16 . 1 1 778 778 LEU CA C 778 54.999 54.999 54.211 0.788 25870 10796 1 16 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.618 0.051 25870 10797 1 16 . 1 1 778 778 LEU H H 778 7.671 7.671 7.135 0.536 25870 10798 1 16 . 1 1 779 779 GLY N N 779 106.232 106.232 106.123 0.109 25870 10799 1 16 . 1 1 779 779 GLY CA C 779 45.287 45.287 44.970 0.317 25870 10800 1 16 . 1 1 779 779 GLY H H 779 7.897 7.897 7.396 0.501 25870 10801 1 16 . 1 1 780 780 TYR N N 780 120.772 120.772 119.543 1.229 25870 10802 1 16 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.523 -0.381 25870 10803 1 16 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.267 3.964 25870 10804 1 16 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.451 -0.110 25870 10805 1 16 . 1 1 780 780 TYR H H 780 8.072 8.072 7.461 0.611 25870 10806 1 16 . 1 1 781 781 ASP N N 781 124.304 124.304 117.661 6.643 25870 10807 1 16 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.722 -0.057 25870 10808 1 16 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.617 -0.469 25870 10809 1 16 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.276 -0.472 25870 10810 1 16 . 1 1 781 781 ASP H H 781 8.862 8.862 9.140 -0.278 25870 10811 1 16 . 1 1 782 782 ILE N N 782 122.271 122.271 112.497 9.774 25870 10812 1 16 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.448 -0.107 25870 10813 1 16 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.080 -0.088 25870 10814 1 16 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.599 -2.692 25870 10815 1 16 . 1 1 782 782 ILE H H 782 7.344 7.344 6.957 0.387 25870 10816 1 16 . 1 1 783 783 GLY N N 783 112.322 112.322 105.266 7.056 25870 10817 1 16 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.673 -0.150 25870 10818 1 16 . 1 1 783 783 GLY H H 783 8.122 8.122 8.145 -0.023 25870 10819 1 16 . 1 1 784 784 ASN N N 784 118.727 118.727 117.517 1.210 25870 10820 1 16 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.677 0.205 25870 10821 1 16 . 1 1 784 784 ASN CA C 784 52.098 52.098 52.856 -0.758 25870 10822 1 16 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.560 -1.136 25870 10823 1 16 . 1 1 784 784 ASN H H 784 8.452 8.452 8.526 -0.074 25870 10824 1 16 . 1 1 785 785 ASP N N 785 119.826 119.826 122.255 -2.429 25870 10825 1 16 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.748 0.030 25870 10826 1 16 . 1 1 785 785 ASP CA C 785 52.164 52.164 52.612 -0.448 25870 10827 1 16 . 1 1 785 785 ASP CB C 785 39.657 39.657 40.917 -1.260 25870 10828 1 16 . 1 1 785 785 ASP H H 785 8.145 8.145 7.771 0.374 25870 10829 1 16 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.226 0.045 25870 10830 1 16 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.429 0.836 25870 10831 1 16 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.178 -0.167 25870 10832 1 16 . 1 1 787 787 GLN N N 787 118.097 118.097 117.545 0.552 25870 10833 1 16 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.215 -0.074 25870 10834 1 16 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.133 0.982 25870 10835 1 16 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.342 -0.610 25870 10836 1 16 . 1 1 787 787 GLN H H 787 8.409 8.409 8.376 0.033 25870 10837 1 16 . 1 1 788 788 GLY N N 788 113.421 113.421 108.942 4.479 25870 10838 1 16 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.710 0.607 25870 10839 1 16 . 1 1 788 788 GLY H H 788 8.644 8.644 8.420 0.224 25870 10840 1 16 . 1 1 789 789 GLU N N 789 121.223 121.223 121.962 -0.739 25870 10841 1 16 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.180 -0.032 25870 10842 1 16 . 1 1 789 789 GLU CA C 789 59.344 59.344 58.989 0.355 25870 10843 1 16 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.688 -0.253 25870 10844 1 16 . 1 1 789 789 GLU H H 789 8.514 8.514 8.511 0.003 25870 10845 1 16 . 1 1 790 790 ALA N N 790 122.879 122.879 122.625 0.254 25870 10846 1 16 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.213 0.034 25870 10847 1 16 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.113 -0.206 25870 10848 1 16 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.343 -0.563 25870 10849 1 16 . 1 1 790 790 ALA H H 790 8.024 8.024 7.586 0.438 25870 10850 1 16 . 1 1 791 791 GLU N N 791 122.622 122.622 119.151 3.471 25870 10851 1 16 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.099 0.588 25870 10852 1 16 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.613 -0.479 25870 10853 1 16 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.444 -0.383 25870 10854 1 16 . 1 1 791 791 GLU H H 791 8.280 8.280 7.828 0.452 25870 10855 1 16 . 1 1 792 792 PHE N N 792 119.949 119.949 121.386 -1.437 25870 10856 1 16 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.203 -0.165 25870 10857 1 16 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.363 0.449 25870 10858 1 16 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.676 -0.078 25870 10859 1 16 . 1 1 792 792 PHE H H 792 8.722 8.722 8.803 -0.081 25870 10860 1 16 . 1 1 793 793 ALA N N 793 119.652 119.652 121.558 -1.906 25870 10861 1 16 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.449 0.405 25870 10862 1 16 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.647 0.255 25870 10863 1 16 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.948 -0.320 25870 10864 1 16 . 1 1 793 793 ALA H H 793 8.163 8.163 7.922 0.241 25870 10865 1 16 . 1 1 794 794 ARG N N 794 121.092 121.092 119.186 1.906 25870 10866 1 16 . 1 1 794 794 ARG HA H 794 3.910 3.910 4.001 -0.091 25870 10867 1 16 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.079 0.392 25870 10868 1 16 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.210 -0.118 25870 10869 1 16 . 1 1 794 794 ARG H H 794 8.034 8.034 7.646 0.388 25870 10870 1 16 . 1 1 795 795 ILE N N 795 121.394 121.394 120.251 1.143 25870 10871 1 16 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.740 -0.352 25870 10872 1 16 . 1 1 795 795 ILE CA C 795 65.848 65.848 64.963 0.885 25870 10873 1 16 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.307 -0.098 25870 10874 1 16 . 1 1 795 795 ILE H H 795 8.049 8.049 7.833 0.216 25870 10875 1 16 . 1 1 796 796 MET N N 796 119.012 119.012 118.203 0.809 25870 10876 1 16 . 1 1 796 796 MET HA H 796 4.155 4.155 3.892 0.263 25870 10877 1 16 . 1 1 796 796 MET CA C 796 56.470 56.470 58.052 -1.582 25870 10878 1 16 . 1 1 796 796 MET CB C 796 29.892 29.892 31.567 -1.675 25870 10879 1 16 . 1 1 796 796 MET H H 796 8.589 8.589 8.122 0.467 25870 10880 1 16 . 1 1 797 797 SER N N 797 114.132 114.132 112.567 1.565 25870 10881 1 16 . 1 1 797 797 SER HA H 797 4.097 4.097 4.319 -0.222 25870 10882 1 16 . 1 1 797 797 SER CA C 797 61.231 61.231 59.803 1.428 25870 10883 1 16 . 1 1 797 797 SER CB C 797 62.895 62.895 63.411 -0.516 25870 10884 1 16 . 1 1 797 797 SER H H 797 7.732 7.732 7.545 0.187 25870 10885 1 16 . 1 1 798 798 ILE N N 798 120.873 120.873 116.003 4.870 25870 10886 1 16 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.249 -0.431 25870 10887 1 16 . 1 1 798 798 ILE CA C 798 63.875 63.875 62.744 1.131 25870 10888 1 16 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.993 -0.130 25870 10889 1 16 . 1 1 798 798 ILE H H 798 7.352 7.352 7.808 -0.456 25870 10890 1 16 . 1 1 799 799 VAL N N 799 110.552 110.552 114.079 -3.527 25870 10891 1 16 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.052 0.191 25870 10892 1 16 . 1 1 799 799 VAL CA C 799 62.616 62.616 61.645 0.971 25870 10893 1 16 . 1 1 799 799 VAL CB C 799 32.416 32.416 31.010 1.406 25870 10894 1 16 . 1 1 799 799 VAL H H 799 7.648 7.648 7.689 -0.041 25870 10895 1 16 . 1 1 800 800 ASP N N 800 119.435 119.435 118.658 0.777 25870 10896 1 16 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.081 0.144 25870 10897 1 16 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.177 1.538 25870 10898 1 16 . 1 1 800 800 ASP CB C 800 41.086 41.086 40.904 0.182 25870 10899 1 16 . 1 1 800 800 ASP H H 800 8.074 8.074 8.073 0.001 25870 10900 1 16 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.319 0.012 25870 10901 1 16 . 1 1 801 801 PRO CA C 801 64.819 64.819 64.197 0.622 25870 10902 1 16 . 1 1 801 801 PRO CB C 801 31.689 31.689 31.634 0.055 25870 10903 1 16 . 1 1 802 802 ASN N N 802 115.164 115.164 115.819 -0.655 25870 10904 1 16 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.713 0.047 25870 10905 1 16 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.808 0.190 25870 10906 1 16 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.328 -1.376 25870 10907 1 16 . 1 1 802 802 ASN H H 802 8.949 8.949 8.103 0.846 25870 10908 1 16 . 1 1 803 803 ARG N N 803 117.446 117.446 116.326 1.120 25870 10909 1 16 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.273 -0.443 25870 10910 1 16 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.850 0.038 25870 10911 1 16 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.289 -0.935 25870 10912 1 16 . 1 1 803 803 ARG H H 803 7.958 7.958 8.319 -0.361 25870 10913 1 16 . 1 1 804 804 LEU N N 804 123.307 123.307 116.738 6.569 25870 10914 1 16 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.677 -0.521 25870 10915 1 16 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.239 2.134 25870 10916 1 16 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.453 1.477 25870 10917 1 16 . 1 1 804 804 LEU H H 804 10.591 10.591 7.709 2.882 25870 10918 1 16 . 1 1 805 805 GLY N N 805 110.516 110.516 106.854 3.662 25870 10919 1 16 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.802 -0.858 25870 10920 1 16 . 1 1 805 805 GLY H H 805 11.001 11.001 8.056 2.945 25870 10921 1 16 . 1 1 806 806 VAL N N 806 109.840 109.840 114.610 -4.770 25870 10922 1 16 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.287 0.284 25870 10923 1 16 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.879 -1.313 25870 10924 1 16 . 1 1 806 806 VAL CB C 806 36.853 36.853 34.990 1.863 25870 10925 1 16 . 1 1 806 806 VAL H H 806 6.831 6.831 7.204 -0.373 25870 10926 1 16 . 1 1 807 807 VAL N N 807 122.184 122.184 122.213 -0.029 25870 10927 1 16 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.417 -0.250 25870 10928 1 16 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.748 0.896 25870 10929 1 16 . 1 1 807 807 VAL CB C 807 32.383 32.383 30.699 1.684 25870 10930 1 16 . 1 1 807 807 VAL H H 807 9.007 9.007 8.848 0.159 25870 10931 1 16 . 1 1 808 808 THR N N 808 117.391 117.391 116.602 0.789 25870 10932 1 16 . 1 1 808 808 THR HA H 808 4.593 4.593 4.948 -0.355 25870 10933 1 16 . 1 1 808 808 THR CA C 808 60.615 60.615 59.045 1.570 25870 10934 1 16 . 1 1 808 808 THR CB C 808 70.695 70.695 71.523 -0.828 25870 10935 1 16 . 1 1 808 808 THR H H 808 7.925 7.925 7.383 0.542 25870 10936 1 16 . 1 1 809 809 PHE N N 809 122.236 122.236 119.066 3.170 25870 10937 1 16 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.447 -0.807 25870 10938 1 16 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.353 0.396 25870 10939 1 16 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.346 0.831 25870 10940 1 16 . 1 1 809 809 PHE H H 809 9.349 9.349 9.198 0.151 25870 10941 1 16 . 1 1 810 810 GLN N N 810 116.788 116.788 116.972 -0.184 25870 10942 1 16 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.059 -0.461 25870 10943 1 16 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.711 0.871 25870 10944 1 16 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.045 0.154 25870 10945 1 16 . 1 1 810 810 GLN H H 810 8.572 8.572 7.207 1.365 25870 10946 1 16 . 1 1 811 811 ALA N N 811 121.208 121.208 121.760 -0.552 25870 10947 1 16 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.140 -0.021 25870 10948 1 16 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.682 1.229 25870 10949 1 16 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.833 0.432 25870 10950 1 16 . 1 1 811 811 ALA H H 811 7.667 7.667 7.466 0.201 25870 10951 1 16 . 1 1 812 812 PHE N N 812 119.805 119.805 118.913 0.892 25870 10952 1 16 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.368 -0.388 25870 10953 1 16 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.052 -0.312 25870 10954 1 16 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.681 0.989 25870 10955 1 16 . 1 1 812 812 PHE H H 812 8.400 8.400 8.380 0.020 25870 10956 1 16 . 1 1 813 813 ILE N N 813 118.098 118.098 118.627 -0.529 25870 10957 1 16 . 1 1 813 813 ILE HA H 813 3.146 3.146 3.968 -0.822 25870 10958 1 16 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.590 0.709 25870 10959 1 16 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.319 -0.117 25870 10960 1 16 . 1 1 813 813 ILE H H 813 8.364 8.364 7.786 0.578 25870 10961 1 16 . 1 1 814 814 ASP N N 814 123.528 123.528 120.544 2.984 25870 10962 1 16 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.338 -0.142 25870 10963 1 16 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.494 0.186 25870 10964 1 16 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.670 -0.434 25870 10965 1 16 . 1 1 814 814 ASP H H 814 8.221 8.221 7.847 0.374 25870 10966 1 16 . 1 1 815 815 PHE N N 815 120.584 120.584 120.151 0.433 25870 10967 1 16 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.422 -0.293 25870 10968 1 16 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.500 0.584 25870 10969 1 16 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.609 0.089 25870 10970 1 16 . 1 1 815 815 PHE H H 815 7.887 7.887 7.795 0.092 25870 10971 1 16 . 1 1 816 816 MET N N 816 116.960 116.960 118.209 -1.249 25870 10972 1 16 . 1 1 816 816 MET HA H 816 3.782 3.782 4.097 -0.315 25870 10973 1 16 . 1 1 816 816 MET CA C 816 55.662 55.662 57.088 -1.426 25870 10974 1 16 . 1 1 816 816 MET CB C 816 30.033 30.033 31.645 -1.612 25870 10975 1 16 . 1 1 816 816 MET H H 816 8.372 8.372 7.999 0.373 25870 10976 1 16 . 1 1 817 817 SER N N 817 114.277 114.277 112.303 1.974 25870 10977 1 16 . 1 1 817 817 SER HA H 817 4.194 4.194 4.385 -0.191 25870 10978 1 16 . 1 1 817 817 SER CA C 817 60.521 60.521 59.901 0.620 25870 10979 1 16 . 1 1 817 817 SER CB C 817 63.185 63.185 63.488 -0.303 25870 10980 1 16 . 1 1 817 817 SER H H 817 8.074 8.074 8.249 -0.175 25870 10981 1 16 . 1 1 818 818 ARG N N 818 121.493 121.493 121.654 -0.161 25870 10982 1 16 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.052 0.072 25870 10983 1 16 . 1 1 818 818 ARG CA C 818 57.684 57.684 57.981 -0.297 25870 10984 1 16 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.433 0.882 25870 10985 1 16 . 1 1 818 818 ARG H H 818 7.288 7.288 7.825 -0.537 25870 10986 1 16 . 1 1 819 819 GLU N N 819 119.737 119.737 117.916 1.821 25870 10987 1 16 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.124 -0.023 25870 10988 1 16 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.322 -1.256 25870 10989 1 16 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.012 1.479 25870 10990 1 16 . 1 1 819 819 GLU H H 819 8.045 8.045 7.560 0.485 25870 10991 1 16 . 1 1 820 820 THR N N 820 112.128 112.128 109.991 2.137 25870 10992 1 16 . 1 1 820 820 THR HA H 820 4.280 4.280 3.801 0.479 25870 10993 1 16 . 1 1 820 820 THR CA C 820 62.055 62.055 62.446 -0.391 25870 10994 1 16 . 1 1 820 820 THR CB C 820 69.828 69.828 68.605 1.223 25870 10995 1 16 . 1 1 820 820 THR H H 820 7.760 7.760 7.396 0.364 25870 10996 1 16 . 1 1 821 821 ALA N N 821 126.098 126.098 122.431 3.667 25870 10997 1 16 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.246 0.038 25870 10998 1 16 . 1 1 821 821 ALA CA C 821 52.726 52.726 50.203 2.523 25870 10999 1 16 . 1 1 821 821 ALA CB C 821 19.304 19.304 21.166 -1.862 25870 11000 1 16 . 1 1 821 821 ALA H H 821 7.957 7.957 7.129 0.828 25870 11001 1 16 . 1 1 822 822 ASP N N 822 119.904 119.904 119.534 0.370 25870 11002 1 16 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.743 -0.130 25870 11003 1 16 . 1 1 822 822 ASP CA C 822 54.335 54.335 53.859 0.476 25870 11004 1 16 . 1 1 822 822 ASP CB C 822 41.032 41.032 42.007 -0.975 25870 11005 1 16 . 1 1 822 822 ASP H H 822 8.352 8.352 8.337 0.015 25870 11006 1 16 . 1 1 823 823 THR N N 823 114.142 114.142 112.599 1.543 25870 11007 1 16 . 1 1 823 823 THR HA H 823 4.278 4.278 4.621 -0.343 25870 11008 1 16 . 1 1 823 823 THR CA C 823 62.117 62.117 61.167 0.950 25870 11009 1 16 . 1 1 823 823 THR CB C 823 69.584 69.584 72.201 -2.617 25870 11010 1 16 . 1 1 823 823 THR H H 823 8.079 8.079 8.291 -0.212 25870 11011 1 16 . 1 1 824 824 ASP N N 824 123.261 123.261 122.826 0.435 25870 11012 1 16 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.456 0.201 25870 11013 1 16 . 1 1 824 824 ASP CA C 824 54.786 54.786 57.239 -2.454 25870 11014 1 16 . 1 1 824 824 ASP CB C 824 41.085 41.085 40.748 0.337 25870 11015 1 16 . 1 1 824 824 ASP H H 824 8.431 8.431 8.948 -0.517 25870 11016 1 16 . 1 1 825 825 THR N N 825 114.932 114.932 112.017 2.915 25870 11017 1 16 . 1 1 825 825 THR HA H 825 4.161 4.161 4.237 -0.076 25870 11018 1 16 . 1 1 825 825 THR CA C 825 63.109 63.109 64.318 -1.209 25870 11019 1 16 . 1 1 825 825 THR CB C 825 69.455 69.455 68.381 1.074 25870 11020 1 16 . 1 1 825 825 THR H H 825 8.155 8.155 8.434 -0.279 25870 11021 1 16 . 1 1 826 826 ALA N N 826 124.961 124.961 125.012 -0.051 25870 11022 1 16 . 1 1 826 826 ALA HA H 826 4.160 4.160 3.960 0.200 25870 11023 1 16 . 1 1 826 826 ALA CA C 826 54.392 54.392 55.000 -0.608 25870 11024 1 16 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.384 0.226 25870 11025 1 16 . 1 1 826 826 ALA H H 826 8.379 8.379 7.514 0.865 25870 11026 1 16 . 1 1 827 827 ASP N N 827 117.765 117.765 117.275 0.490 25870 11027 1 16 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.415 0.010 25870 11028 1 16 . 1 1 827 827 ASP CA C 827 56.051 56.051 56.656 -0.605 25870 11029 1 16 . 1 1 827 827 ASP CB C 827 40.559 40.559 41.003 -0.444 25870 11030 1 16 . 1 1 827 827 ASP H H 827 8.250 8.250 7.872 0.378 25870 11031 1 16 . 1 1 828 828 GLN N N 828 120.523 120.523 117.320 3.203 25870 11032 1 16 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.215 -0.124 25870 11033 1 16 . 1 1 828 828 GLN CA C 828 57.814 57.814 57.875 -0.061 25870 11034 1 16 . 1 1 828 828 GLN CB C 828 28.549 28.549 29.366 -0.817 25870 11035 1 16 . 1 1 828 828 GLN H H 828 8.076 8.076 7.853 0.223 25870 11036 1 16 . 1 1 829 829 VAL N N 829 120.970 120.970 121.513 -0.543 25870 11037 1 16 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.710 -0.185 25870 11038 1 16 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.934 0.260 25870 11039 1 16 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.985 -0.444 25870 11040 1 16 . 1 1 829 829 VAL H H 829 8.051 8.051 7.393 0.658 25870 11041 1 16 . 1 1 830 830 MET N N 830 119.572 119.572 117.358 2.214 25870 11042 1 16 . 1 1 830 830 MET HA H 830 4.006 4.006 3.368 0.638 25870 11043 1 16 . 1 1 830 830 MET CA C 830 57.977 57.977 56.822 1.155 25870 11044 1 16 . 1 1 830 830 MET CB C 830 31.995 31.995 30.911 1.084 25870 11045 1 16 . 1 1 830 830 MET H H 830 8.110 8.110 8.280 -0.170 25870 11046 1 16 . 1 1 831 831 ALA N N 831 121.059 121.059 122.896 -1.837 25870 11047 1 16 . 1 1 831 831 ALA HA H 831 4.045 4.045 4.031 0.014 25870 11048 1 16 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.769 -0.268 25870 11049 1 16 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.768 0.299 25870 11050 1 16 . 1 1 831 831 ALA H H 831 7.836 7.836 7.536 0.300 25870 11051 1 16 . 1 1 832 832 SER N N 832 114.256 114.256 115.304 -1.048 25870 11052 1 16 . 1 1 832 832 SER HA H 832 4.141 4.141 4.103 0.038 25870 11053 1 16 . 1 1 832 832 SER CA C 832 60.845 60.845 61.237 -0.392 25870 11054 1 16 . 1 1 832 832 SER CB C 832 62.613 62.613 62.766 -0.153 25870 11055 1 16 . 1 1 832 832 SER H H 832 7.714 7.714 7.830 -0.116 25870 11056 1 16 . 1 1 833 833 PHE N N 833 121.847 121.847 121.427 0.420 25870 11057 1 16 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.221 -0.398 25870 11058 1 16 . 1 1 833 833 PHE CA C 833 58.627 58.627 58.985 -0.358 25870 11059 1 16 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.420 0.707 25870 11060 1 16 . 1 1 833 833 PHE H H 833 7.740 7.740 7.616 0.124 25870 11061 1 16 . 1 1 834 834 LYS N N 834 118.759 118.759 120.026 -1.267 25870 11062 1 16 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.528 0.061 25870 11063 1 16 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.081 1.303 25870 11064 1 16 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.715 0.428 25870 11065 1 16 . 1 1 834 834 LYS H H 834 7.843 7.843 7.589 0.254 25870 11066 1 16 . 1 1 835 835 ILE N N 835 118.537 118.537 120.100 -1.563 25870 11067 1 16 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.722 0.014 25870 11068 1 16 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.618 -0.904 25870 11069 1 16 . 1 1 835 835 ILE CB C 835 37.825 37.825 37.990 -0.166 25870 11070 1 16 . 1 1 835 835 ILE H H 835 7.315 7.315 7.231 0.084 25870 11071 1 16 . 1 1 836 836 LEU N N 836 121.201 121.201 119.737 1.464 25870 11072 1 16 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.880 0.075 25870 11073 1 16 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.044 0.030 25870 11074 1 16 . 1 1 836 836 LEU CB C 836 42.415 42.415 42.054 0.361 25870 11075 1 16 . 1 1 836 836 LEU H H 836 7.625 7.625 8.060 -0.435 25870 11076 1 16 . 1 1 837 837 ALA N N 837 119.184 119.184 118.664 0.520 25870 11077 1 16 . 1 1 837 837 ALA HA H 837 3.895 3.895 4.006 -0.111 25870 11078 1 16 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.554 -0.253 25870 11079 1 16 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.128 0.210 25870 11080 1 16 . 1 1 837 837 ALA H H 837 8.099 8.099 7.696 0.403 25870 11081 1 16 . 1 1 838 838 GLY N N 838 107.030 107.030 107.191 -0.161 25870 11082 1 16 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.730 0.188 25870 11083 1 16 . 1 1 838 838 GLY H H 838 7.676 7.676 7.975 -0.299 25870 11084 1 16 . 1 1 839 839 ASP N N 839 122.291 122.291 124.164 -1.873 25870 11085 1 16 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.847 -0.370 25870 11086 1 16 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.965 0.546 25870 11087 1 16 . 1 1 839 839 ASP CB C 839 40.181 40.181 42.586 -2.405 25870 11088 1 16 . 1 1 839 839 ASP H H 839 8.704 8.704 8.103 0.601 25870 11089 1 16 . 1 1 840 840 LYS N N 840 117.582 117.582 121.094 -3.512 25870 11090 1 16 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.500 -0.199 25870 11091 1 16 . 1 1 840 840 LYS CA C 840 55.780 55.780 56.032 -0.252 25870 11092 1 16 . 1 1 840 840 LYS CB C 840 33.710 33.710 32.912 0.798 25870 11093 1 16 . 1 1 840 840 LYS H H 840 7.583 7.583 7.369 0.214 25870 11094 1 16 . 1 1 841 841 ASN N N 841 116.678 116.678 116.760 -0.082 25870 11095 1 16 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.760 -0.149 25870 11096 1 16 . 1 1 841 841 ASN CA C 841 53.466 53.466 53.218 0.248 25870 11097 1 16 . 1 1 841 841 ASN CB C 841 39.155 39.155 38.818 0.337 25870 11098 1 16 . 1 1 841 841 ASN H H 841 8.693 8.693 8.875 -0.182 25870 11099 1 16 . 1 1 842 842 TYR N N 842 112.236 112.236 113.883 -1.647 25870 11100 1 16 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.875 0.111 25870 11101 1 16 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.225 -1.307 25870 11102 1 16 . 1 1 842 842 TYR CB C 842 40.595 40.595 41.217 -0.622 25870 11103 1 16 . 1 1 842 842 TYR H H 842 6.637 6.637 7.194 -0.557 25870 11104 1 16 . 1 1 843 843 ILE N N 843 115.475 115.475 120.781 -5.306 25870 11105 1 16 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.683 0.109 25870 11106 1 16 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.321 0.636 25870 11107 1 16 . 1 1 843 843 ILE CB C 843 43.009 43.009 43.145 -0.136 25870 11108 1 16 . 1 1 843 843 ILE H H 843 8.630 8.630 9.227 -0.597 25870 11109 1 16 . 1 1 844 844 THR N N 844 117.169 117.169 118.125 -0.956 25870 11110 1 16 . 1 1 844 844 THR HA H 844 5.370 5.370 5.279 0.091 25870 11111 1 16 . 1 1 844 844 THR CA C 844 60.177 60.177 60.077 0.100 25870 11112 1 16 . 1 1 844 844 THR CB C 844 71.088 71.088 70.711 0.377 25870 11113 1 16 . 1 1 844 844 THR H H 844 9.330 9.330 9.434 -0.104 25870 11114 1 16 . 1 1 845 845 MET N N 845 119.860 119.860 120.506 -0.646 25870 11115 1 16 . 1 1 845 845 MET HA H 845 3.824 3.824 3.987 -0.163 25870 11116 1 16 . 1 1 845 845 MET CA C 845 60.321 60.321 60.514 -0.193 25870 11117 1 16 . 1 1 845 845 MET CB C 845 33.030 33.030 32.063 0.967 25870 11118 1 16 . 1 1 845 845 MET H H 845 8.556 8.556 8.697 -0.141 25870 11119 1 16 . 1 1 846 846 ASP N N 846 116.363 116.363 118.643 -2.280 25870 11120 1 16 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.373 -0.093 25870 11121 1 16 . 1 1 846 846 ASP CA C 846 57.404 57.404 57.252 0.152 25870 11122 1 16 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.759 -0.175 25870 11123 1 16 . 1 1 846 846 ASP H H 846 8.377 8.377 8.654 -0.277 25870 11124 1 16 . 1 1 847 847 GLU N N 847 120.577 120.577 119.417 1.160 25870 11125 1 16 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.074 -0.220 25870 11126 1 16 . 1 1 847 847 GLU CA C 847 59.657 59.657 59.156 0.501 25870 11127 1 16 . 1 1 847 847 GLU CB C 847 29.660 29.660 29.718 -0.058 25870 11128 1 16 . 1 1 847 847 GLU H H 847 7.855 7.855 7.566 0.289 25870 11129 1 16 . 1 1 848 848 LEU N N 848 118.714 118.714 119.236 -0.522 25870 11130 1 16 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.078 -0.256 25870 11131 1 16 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.433 1.292 25870 11132 1 16 . 1 1 848 848 LEU CB C 848 42.457 42.457 42.050 0.407 25870 11133 1 16 . 1 1 848 848 LEU H H 848 7.849 7.849 7.445 0.404 25870 11134 1 16 . 1 1 849 849 ARG N N 849 113.972 113.972 115.403 -1.431 25870 11135 1 16 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.387 -0.463 25870 11136 1 16 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.242 1.353 25870 11137 1 16 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.433 0.667 25870 11138 1 16 . 1 1 849 849 ARG H H 849 8.053 8.053 7.639 0.414 25870 11139 1 16 . 1 1 850 850 ARG N N 850 118.178 118.178 118.034 0.144 25870 11140 1 16 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.406 -0.213 25870 11141 1 16 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.071 1.174 25870 11142 1 16 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.535 -0.415 25870 11143 1 16 . 1 1 850 850 ARG H H 850 7.743 7.743 7.410 0.333 25870 11144 1 16 . 1 1 851 851 GLU N N 851 115.518 115.518 119.262 -3.744 25870 11145 1 16 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.327 0.023 25870 11146 1 16 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.923 -1.037 25870 11147 1 16 . 1 1 851 851 GLU CB C 851 31.590 31.590 31.139 0.451 25870 11148 1 16 . 1 1 851 851 GLU H H 851 7.596 7.596 7.798 -0.202 25870 11149 1 16 . 1 1 852 852 LEU N N 852 119.148 119.148 121.440 -2.292 25870 11150 1 16 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.267 -0.373 25870 11151 1 16 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.400 0.774 25870 11152 1 16 . 1 1 852 852 LEU CB C 852 42.469 42.469 42.169 0.301 25870 11153 1 16 . 1 1 852 852 LEU H H 852 7.890 7.890 7.751 0.139 25870 11154 1 16 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.459 -0.112 25870 11155 1 16 . 1 1 853 853 PRO CA C 853 65.119 65.119 63.953 1.166 25870 11156 1 16 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.315 1.316 25870 11157 1 16 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.470 -0.200 25870 11158 1 16 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.907 4.429 25870 11159 1 16 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.105 -0.849 25870 11160 1 16 . 1 1 855 855 ASP N N 855 114.865 114.865 119.232 -4.367 25870 11161 1 16 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.319 0.030 25870 11162 1 16 . 1 1 855 855 ASP CA C 855 56.913 56.913 56.838 0.075 25870 11163 1 16 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.674 -1.430 25870 11164 1 16 . 1 1 855 855 ASP H H 855 8.801 8.801 8.241 0.560 25870 11165 1 16 . 1 1 856 856 GLN N N 856 121.465 121.465 119.157 2.308 25870 11166 1 16 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.259 -0.060 25870 11167 1 16 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.253 -0.936 25870 11168 1 16 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.473 0.774 25870 11169 1 16 . 1 1 856 856 GLN H H 856 7.472 7.472 8.582 -1.110 25870 11170 1 16 . 1 1 857 857 ALA N N 857 122.805 122.805 122.267 0.538 25870 11171 1 16 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.924 -0.125 25870 11172 1 16 . 1 1 857 857 ALA CA C 857 56.303 56.303 56.050 0.253 25870 11173 1 16 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.254 -0.310 25870 11174 1 16 . 1 1 857 857 ALA H H 857 8.882 8.882 8.121 0.761 25870 11175 1 16 . 1 1 858 858 GLU N N 858 114.094 114.094 118.482 -4.388 25870 11176 1 16 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.047 -0.023 25870 11177 1 16 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.614 0.068 25870 11178 1 16 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.101 -0.462 25870 11179 1 16 . 1 1 858 858 GLU H H 858 8.155 8.155 7.977 0.178 25870 11180 1 16 . 1 1 859 859 TYR N N 859 120.665 120.665 122.520 -1.855 25870 11181 1 16 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.167 -0.083 25870 11182 1 16 . 1 1 859 859 TYR CA C 859 61.006 61.006 60.854 0.152 25870 11183 1 16 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.101 0.586 25870 11184 1 16 . 1 1 859 859 TYR H H 859 7.708 7.708 8.419 -0.711 25870 11185 1 16 . 1 1 860 860 CYS N N 860 115.812 115.812 117.950 -2.138 25870 11186 1 16 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.343 0.815 25870 11187 1 16 . 1 1 860 860 CYS CA C 860 64.254 64.254 64.206 0.048 25870 11188 1 16 . 1 1 860 860 CYS CB C 860 27.304 27.304 27.056 0.248 25870 11189 1 16 . 1 1 860 860 CYS H H 860 8.113 8.113 7.935 0.178 25870 11190 1 16 . 1 1 861 861 ILE N N 861 120.078 120.078 120.049 0.029 25870 11191 1 16 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.633 -0.294 25870 11192 1 16 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.229 0.414 25870 11193 1 16 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.738 0.976 25870 11194 1 16 . 1 1 861 861 ILE H H 861 8.453 8.453 7.780 0.673 25870 11195 1 16 . 1 1 862 862 ALA N N 862 116.691 116.691 122.278 -5.587 25870 11196 1 16 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.042 0.167 25870 11197 1 16 . 1 1 862 862 ALA CA C 862 53.222 53.222 55.035 -1.813 25870 11198 1 16 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.878 0.124 25870 11199 1 16 . 1 1 862 862 ALA H H 862 7.307 7.307 8.252 -0.945 25870 11200 1 16 . 1 1 863 863 ARG N N 863 117.226 117.226 115.902 1.324 25870 11201 1 16 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.437 -0.163 25870 11202 1 16 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.638 -0.587 25870 11203 1 16 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.685 0.704 25870 11204 1 16 . 1 1 863 863 ARG H H 863 7.358 7.358 7.549 -0.191 25870 11205 1 16 . 1 1 864 864 MET N N 864 117.583 117.583 118.743 -1.160 25870 11206 1 16 . 1 1 864 864 MET HA H 864 4.561 4.561 4.390 0.171 25870 11207 1 16 . 1 1 864 864 MET CA C 864 54.927 54.927 56.114 -1.187 25870 11208 1 16 . 1 1 864 864 MET CB C 864 37.418 37.418 34.198 3.220 25870 11209 1 16 . 1 1 864 864 MET H H 864 7.153 7.153 7.443 -0.290 25870 11210 1 16 . 1 1 865 865 ALA N N 865 124.643 124.643 126.010 -1.367 25870 11211 1 16 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.596 -0.730 25870 11212 1 16 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.995 -0.801 25870 11213 1 16 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.300 0.347 25870 11214 1 16 . 1 1 865 865 ALA H H 865 8.557 8.557 8.171 0.386 25870 11215 1 16 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.525 -0.029 25870 11216 1 16 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.832 -0.108 25870 11217 1 16 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.455 1.525 25870 11218 1 16 . 1 1 867 867 TYR N N 867 122.461 122.461 125.924 -3.463 25870 11219 1 16 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.605 0.123 25870 11220 1 16 . 1 1 867 867 TYR CA C 867 57.096 57.096 56.490 0.606 25870 11221 1 16 . 1 1 867 867 TYR CB C 867 39.175 39.175 37.563 1.612 25870 11222 1 16 . 1 1 867 867 TYR H H 867 8.128 8.128 8.135 -0.007 25870 11223 1 16 . 1 1 868 868 THR HA H 868 4.351 4.351 4.771 -0.420 25870 11224 1 16 . 1 1 868 868 THR CA C 868 60.271 60.271 59.892 0.379 25870 11225 1 16 . 1 1 868 868 THR CB C 868 68.737 68.737 71.668 -2.931 25870 11226 1 16 . 1 1 869 869 GLY CA C 869 44.914 44.914 44.715 0.199 25870 11227 1 16 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.453 -0.124 25870 11228 1 16 . 1 1 870 870 PRO CA C 870 64.697 64.697 63.914 0.783 25870 11229 1 16 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.242 -0.663 25870 11230 1 16 . 1 1 871 871 ASP N N 871 116.207 116.207 118.006 -1.799 25870 11231 1 16 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.738 -0.134 25870 11232 1 16 . 1 1 871 871 ASP CA C 871 52.749 52.749 53.540 -0.791 25870 11233 1 16 . 1 1 871 871 ASP CB C 871 38.929 38.929 41.146 -2.217 25870 11234 1 16 . 1 1 871 871 ASP H H 871 9.267 9.267 8.484 0.783 25870 11235 1 16 . 1 1 872 872 SER N N 872 112.349 112.349 114.119 -1.770 25870 11236 1 16 . 1 1 872 872 SER HA H 872 3.497 3.497 4.679 -1.182 25870 11237 1 16 . 1 1 872 872 SER CA C 872 59.065 59.065 56.773 2.292 25870 11238 1 16 . 1 1 872 872 SER CB C 872 63.125 63.125 64.605 -1.480 25870 11239 1 16 . 1 1 872 872 SER H H 872 7.487 7.487 7.323 0.164 25870 11240 1 16 . 1 1 873 873 VAL N N 873 113.567 113.567 113.763 -0.196 25870 11241 1 16 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.646 0.083 25870 11242 1 16 . 1 1 873 873 VAL CA C 873 58.044 58.044 57.888 0.156 25870 11243 1 16 . 1 1 873 873 VAL CB C 873 32.911 32.911 32.945 -0.034 25870 11244 1 16 . 1 1 873 873 VAL H H 873 6.411 6.411 8.298 -1.887 25870 11245 1 16 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.468 -0.172 25870 11246 1 16 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.006 1.329 25870 11247 1 16 . 1 1 874 874 PRO CB C 874 31.515 31.515 30.908 0.607 25870 11248 1 16 . 1 1 875 875 GLY N N 875 112.118 112.118 106.243 5.875 25870 11249 1 16 . 1 1 875 875 GLY CA C 875 45.557 45.557 45.592 -0.035 25870 11250 1 16 . 1 1 875 875 GLY H H 875 8.800 8.800 7.415 1.385 25870 11251 1 16 . 1 1 876 876 ALA N N 876 120.262 120.262 123.902 -3.640 25870 11252 1 16 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.641 -1.541 25870 11253 1 16 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.239 2.834 25870 11254 1 16 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.795 -1.287 25870 11255 1 16 . 1 1 876 876 ALA H H 876 7.762 7.762 7.632 0.130 25870 11256 1 16 . 1 1 877 877 LEU N N 877 125.695 125.695 121.005 4.690 25870 11257 1 16 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.200 -0.424 25870 11258 1 16 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.727 0.542 25870 11259 1 16 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.074 -2.275 25870 11260 1 16 . 1 1 877 877 LEU H H 877 9.595 9.595 9.385 0.210 25870 11261 1 16 . 1 1 878 878 ASP N N 878 119.823 119.823 121.558 -1.735 25870 11262 1 16 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.520 0.359 25870 11263 1 16 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.258 -0.261 25870 11264 1 16 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.417 -0.636 25870 11265 1 16 . 1 1 878 878 ASP H H 878 9.031 9.031 8.019 1.012 25870 11266 1 16 . 1 1 879 879 TYR N N 879 126.556 126.556 123.637 2.919 25870 11267 1 16 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.255 0.336 25870 11268 1 16 . 1 1 879 879 TYR CA C 879 59.396 59.396 60.187 -0.791 25870 11269 1 16 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.629 -0.308 25870 11270 1 16 . 1 1 879 879 TYR H H 879 7.456 7.456 7.896 -0.440 25870 11271 1 16 . 1 1 880 880 MET N N 880 119.958 119.958 113.407 6.551 25870 11272 1 16 . 1 1 880 880 MET HA H 880 4.605 4.605 4.908 -0.303 25870 11273 1 16 . 1 1 880 880 MET CA C 880 56.044 56.044 57.126 -1.081 25870 11274 1 16 . 1 1 880 880 MET CB C 880 30.101 30.101 33.519 -3.418 25870 11275 1 16 . 1 1 880 880 MET H H 880 7.627 7.627 7.415 0.212 25870 11276 1 16 . 1 1 881 881 SER N N 881 114.328 114.328 116.063 -1.735 25870 11277 1 16 . 1 1 881 881 SER HA H 881 4.471 4.471 4.600 -0.129 25870 11278 1 16 . 1 1 881 881 SER CA C 881 58.917 58.917 57.420 1.497 25870 11279 1 16 . 1 1 881 881 SER CB C 881 64.447 64.447 63.519 0.928 25870 11280 1 16 . 1 1 881 881 SER H H 881 7.726 7.726 8.237 -0.511 25870 11281 1 16 . 1 1 882 882 PHE N N 882 122.735 122.735 119.919 2.816 25870 11282 1 16 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.353 0.369 25870 11283 1 16 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.614 1.617 25870 11284 1 16 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.135 1.150 25870 11285 1 16 . 1 1 882 882 PHE H H 882 7.385 7.385 7.407 -0.022 25870 11286 1 16 . 1 1 883 883 SER N N 883 120.156 120.156 116.576 3.580 25870 11287 1 16 . 1 1 883 883 SER HA H 883 4.299 4.299 4.425 -0.126 25870 11288 1 16 . 1 1 883 883 SER CA C 883 57.280 57.280 57.513 -0.233 25870 11289 1 16 . 1 1 883 883 SER CB C 883 64.601 64.601 63.449 1.152 25870 11290 1 16 . 1 1 883 883 SER H H 883 7.472 7.472 8.480 -1.008 25870 11291 1 16 . 1 1 884 884 THR N N 884 110.683 110.683 119.311 -8.628 25870 11292 1 16 . 1 1 884 884 THR HA H 884 3.966 3.966 4.304 -0.338 25870 11293 1 16 . 1 1 884 884 THR CA C 884 63.465 63.465 63.630 -0.165 25870 11294 1 16 . 1 1 884 884 THR CB C 884 68.899 68.899 68.785 0.114 25870 11295 1 16 . 1 1 884 884 THR H H 884 7.996 7.996 8.407 -0.411 25870 11296 1 16 . 1 1 885 885 ALA N N 885 125.456 125.456 122.900 2.556 25870 11297 1 16 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.400 -0.164 25870 11298 1 16 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.651 0.379 25870 11299 1 16 . 1 1 885 885 ALA CB C 885 19.225 19.225 19.053 0.172 25870 11300 1 16 . 1 1 885 885 ALA H H 885 7.905 7.905 7.443 0.462 25870 11301 1 16 . 1 1 886 886 LEU N N 886 120.638 120.638 116.511 4.127 25870 11302 1 16 . 1 1 886 886 LEU HA H 886 4.002 4.002 3.756 0.246 25870 11303 1 16 . 1 1 886 886 LEU CA C 886 55.462 55.462 55.894 -0.432 25870 11304 1 16 . 1 1 886 886 LEU CB C 886 42.265 42.265 40.664 1.601 25870 11305 1 16 . 1 1 886 886 LEU H H 886 8.079 8.079 7.259 0.820 25870 11306 1 16 . 1 1 887 887 TYR N N 887 121.526 121.526 117.441 4.085 25870 11307 1 16 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.450 -0.094 25870 11308 1 16 . 1 1 887 887 TYR CA C 887 58.750 58.750 59.094 -0.344 25870 11309 1 16 . 1 1 887 887 TYR CB C 887 38.569 38.569 38.336 0.234 25870 11310 1 16 . 1 1 887 887 TYR H H 887 8.267 8.267 7.781 0.486 25870 11311 1 16 . 1 1 888 888 GLY N N 888 112.379 112.379 107.256 5.123 25870 11312 1 16 . 1 1 888 888 GLY CA C 888 45.090 45.090 45.118 -0.028 25870 11313 1 16 . 1 1 888 888 GLY H H 888 8.087 8.087 8.200 -0.113 25870 11314 1 16 . 1 1 889 889 GLU N N 889 120.255 120.255 121.352 -1.097 25870 11315 1 16 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.635 -0.379 25870 11316 1 16 . 1 1 889 889 GLU CA C 889 56.445 56.445 55.268 1.177 25870 11317 1 16 . 1 1 889 889 GLU CB C 889 30.393 30.393 32.190 -1.796 25870 11318 1 16 . 1 1 889 889 GLU H H 889 7.994 7.994 8.595 -0.601 25870 11319 1 16 . 1 1 890 890 SER N N 890 116.375 116.375 117.572 -1.197 25870 11320 1 16 . 1 1 890 890 SER HA H 890 4.415 4.415 4.476 -0.061 25870 11321 1 16 . 1 1 890 890 SER CA C 890 58.204 58.204 57.975 0.229 25870 11322 1 16 . 1 1 890 890 SER CB C 890 63.913 63.913 63.871 0.042 25870 11323 1 16 . 1 1 890 890 SER H H 890 8.329 8.329 8.436 -0.107 25870 11324 1 16 . 1 1 891 891 ASP N N 891 123.017 123.017 123.392 -0.375 25870 11325 1 16 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.799 -0.189 25870 11326 1 16 . 1 1 891 891 ASP CA C 891 54.371 54.371 53.911 0.459 25870 11327 1 16 . 1 1 891 891 ASP CB C 891 41.013 41.013 40.915 0.098 25870 11328 1 16 . 1 1 891 891 ASP H H 891 8.394 8.394 8.442 -0.048 25870 11329 1 17 . 1 1 742 742 SER HA H 742 4.525 4.525 4.092 0.433 25870 11330 1 17 . 1 1 742 742 SER CA C 742 58.148 58.148 59.628 -1.480 25870 11331 1 17 . 1 1 742 742 SER CB C 742 63.791 63.791 62.797 0.994 25870 11332 1 17 . 1 1 743 743 ILE N N 743 122.172 122.172 122.721 -0.549 25870 11333 1 17 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.077 0.285 25870 11334 1 17 . 1 1 743 743 ILE CA C 743 60.421 60.421 62.103 -1.682 25870 11335 1 17 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.290 0.876 25870 11336 1 17 . 1 1 743 743 ILE H H 743 8.132 8.132 8.083 0.049 25870 11337 1 17 . 1 1 744 744 SER N N 744 123.144 123.144 120.186 2.958 25870 11338 1 17 . 1 1 744 744 SER HA H 744 4.449 4.449 4.558 -0.109 25870 11339 1 17 . 1 1 744 744 SER CA C 744 57.463 57.463 56.899 0.564 25870 11340 1 17 . 1 1 744 744 SER CB C 744 65.219 65.219 64.961 0.258 25870 11341 1 17 . 1 1 744 744 SER H H 744 8.848 8.848 8.495 0.353 25870 11342 1 17 . 1 1 745 745 GLN N N 745 121.619 121.619 123.996 -2.377 25870 11343 1 17 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.125 -0.173 25870 11344 1 17 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.061 -0.293 25870 11345 1 17 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.738 -0.226 25870 11346 1 17 . 1 1 745 745 GLN H H 745 9.042 9.042 8.975 0.067 25870 11347 1 17 . 1 1 746 746 GLU N N 746 118.648 118.648 119.290 -0.642 25870 11348 1 17 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.146 -0.142 25870 11349 1 17 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.875 1.348 25870 11350 1 17 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.598 -0.744 25870 11351 1 17 . 1 1 746 746 GLU H H 746 8.721 8.721 7.705 1.016 25870 11352 1 17 . 1 1 747 747 GLN N N 747 120.463 120.463 120.171 0.292 25870 11353 1 17 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.395 -0.629 25870 11354 1 17 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.817 -0.511 25870 11355 1 17 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.192 0.756 25870 11356 1 17 . 1 1 747 747 GLN H H 747 7.838 7.838 8.437 -0.599 25870 11357 1 17 . 1 1 748 748 MET N N 748 119.252 119.252 115.466 3.786 25870 11358 1 17 . 1 1 748 748 MET HA H 748 4.200 4.200 4.438 -0.238 25870 11359 1 17 . 1 1 748 748 MET CA C 748 58.096 58.096 59.211 -1.115 25870 11360 1 17 . 1 1 748 748 MET CB C 748 30.900 30.900 32.309 -1.409 25870 11361 1 17 . 1 1 748 748 MET H H 748 8.473 8.473 8.240 0.233 25870 11362 1 17 . 1 1 749 749 ASN N N 749 117.740 117.740 118.671 -0.931 25870 11363 1 17 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.502 -0.028 25870 11364 1 17 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.821 -0.026 25870 11365 1 17 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.708 -1.295 25870 11366 1 17 . 1 1 749 749 ASN H H 749 8.334 8.334 7.675 0.659 25870 11367 1 17 . 1 1 750 750 GLU N N 750 122.848 122.848 119.374 3.474 25870 11368 1 17 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.107 0.097 25870 11369 1 17 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.478 0.863 25870 11370 1 17 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.586 -0.402 25870 11371 1 17 . 1 1 750 750 GLU H H 750 7.838 7.838 8.374 -0.536 25870 11372 1 17 . 1 1 751 751 PHE N N 751 120.177 120.177 122.980 -2.803 25870 11373 1 17 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.332 0.689 25870 11374 1 17 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.557 -1.204 25870 11375 1 17 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.354 -1.557 25870 11376 1 17 . 1 1 751 751 PHE H H 751 8.785 8.785 8.582 0.203 25870 11377 1 17 . 1 1 752 752 ARG N N 752 120.528 120.528 119.874 0.654 25870 11378 1 17 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.822 0.338 25870 11379 1 17 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.369 1.335 25870 11380 1 17 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.622 1.346 25870 11381 1 17 . 1 1 752 752 ARG H H 752 9.016 9.016 8.082 0.934 25870 11382 1 17 . 1 1 753 753 ALA N N 753 121.112 121.112 122.559 -1.447 25870 11383 1 17 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.406 -0.161 25870 11384 1 17 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.517 0.814 25870 11385 1 17 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.776 0.047 25870 11386 1 17 . 1 1 753 753 ALA H H 753 8.100 8.100 7.725 0.375 25870 11387 1 17 . 1 1 754 754 SER N N 754 115.589 115.589 115.151 0.438 25870 11388 1 17 . 1 1 754 754 SER HA H 754 4.452 4.452 4.293 0.159 25870 11389 1 17 . 1 1 754 754 SER CA C 754 62.675 62.675 59.888 2.787 25870 11390 1 17 . 1 1 754 754 SER CB C 754 63.359 63.359 62.808 0.551 25870 11391 1 17 . 1 1 754 754 SER H H 754 8.391 8.391 7.972 0.419 25870 11392 1 17 . 1 1 755 755 PHE N N 755 121.886 121.886 119.064 2.822 25870 11393 1 17 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.993 -0.351 25870 11394 1 17 . 1 1 755 755 PHE CA C 755 61.964 61.964 58.961 3.003 25870 11395 1 17 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.441 1.381 25870 11396 1 17 . 1 1 755 755 PHE H H 755 8.675 8.675 7.801 0.874 25870 11397 1 17 . 1 1 756 756 ASN N N 756 113.618 113.618 113.880 -0.262 25870 11398 1 17 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.091 0.336 25870 11399 1 17 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.939 2.672 25870 11400 1 17 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.740 -0.902 25870 11401 1 17 . 1 1 756 756 ASN H H 756 8.593 8.593 7.637 0.956 25870 11402 1 17 . 1 1 757 757 HIS N N 757 119.679 119.679 120.104 -0.425 25870 11403 1 17 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.271 -0.192 25870 11404 1 17 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.615 0.729 25870 11405 1 17 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.211 -0.322 25870 11406 1 17 . 1 1 757 757 HIS H H 757 8.139 8.139 7.310 0.829 25870 11407 1 17 . 1 1 758 758 PHE N N 758 113.051 113.051 115.946 -2.895 25870 11408 1 17 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.386 -0.325 25870 11409 1 17 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.312 2.385 25870 11410 1 17 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.393 -1.658 25870 11411 1 17 . 1 1 758 758 PHE H H 758 7.585 7.585 7.496 0.089 25870 11412 1 17 . 1 1 759 759 ASP N N 759 120.916 120.916 121.083 -0.167 25870 11413 1 17 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.451 0.058 25870 11414 1 17 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.952 -2.780 25870 11415 1 17 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.461 -2.452 25870 11416 1 17 . 1 1 759 759 ASP H H 759 7.423 7.423 7.776 -0.353 25870 11417 1 17 . 1 1 760 760 ARG N N 760 124.819 124.819 127.256 -2.437 25870 11418 1 17 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.078 -0.310 25870 11419 1 17 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.567 -0.292 25870 11420 1 17 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.732 -0.483 25870 11421 1 17 . 1 1 760 760 ARG H H 760 7.781 7.781 8.337 -0.556 25870 11422 1 17 . 1 1 761 761 ASP N N 761 113.673 113.673 112.778 0.895 25870 11423 1 17 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.736 -0.253 25870 11424 1 17 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.392 -1.415 25870 11425 1 17 . 1 1 761 761 ASP CB C 761 39.522 39.522 41.199 -1.677 25870 11426 1 17 . 1 1 761 761 ASP H H 761 7.821 7.821 8.183 -0.362 25870 11427 1 17 . 1 1 762 762 HIS N N 762 114.966 114.966 117.664 -2.698 25870 11428 1 17 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.268 -0.107 25870 11429 1 17 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.924 -0.306 25870 11430 1 17 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.739 -2.359 25870 11431 1 17 . 1 1 762 762 HIS H H 762 7.744 7.744 8.110 -0.366 25870 11432 1 17 . 1 1 763 763 SER N N 763 115.077 115.077 113.725 1.352 25870 11433 1 17 . 1 1 763 763 SER HA H 763 4.336 4.336 4.435 -0.099 25870 11434 1 17 . 1 1 763 763 SER CA C 763 59.860 59.860 59.253 0.607 25870 11435 1 17 . 1 1 763 763 SER CB C 763 65.192 65.192 64.452 0.740 25870 11436 1 17 . 1 1 763 763 SER H H 763 8.726 8.726 8.084 0.642 25870 11437 1 17 . 1 1 764 764 GLY N N 764 116.915 116.915 110.423 6.492 25870 11438 1 17 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.648 -0.198 25870 11439 1 17 . 1 1 764 764 GLY H H 764 11.017 11.017 8.714 2.303 25870 11440 1 17 . 1 1 765 765 THR N N 765 107.334 107.334 110.748 -3.414 25870 11441 1 17 . 1 1 765 765 THR HA H 765 4.829 4.829 5.228 -0.399 25870 11442 1 17 . 1 1 765 765 THR CA C 765 58.759 58.759 60.977 -2.218 25870 11443 1 17 . 1 1 765 765 THR CB C 765 73.383 73.383 71.920 1.463 25870 11444 1 17 . 1 1 765 765 THR H H 765 7.693 7.693 8.148 -0.455 25870 11445 1 17 . 1 1 766 766 LEU N N 766 124.664 124.664 124.651 0.013 25870 11446 1 17 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.840 0.060 25870 11447 1 17 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.626 -1.287 25870 11448 1 17 . 1 1 766 766 LEU CB C 766 42.339 42.339 43.179 -0.840 25870 11449 1 17 . 1 1 766 766 LEU H H 766 9.209 9.209 8.825 0.384 25870 11450 1 17 . 1 1 767 767 GLY N N 767 112.024 112.024 112.147 -0.123 25870 11451 1 17 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.792 0.331 25870 11452 1 17 . 1 1 767 767 GLY H H 767 8.910 8.910 9.142 -0.232 25870 11453 1 17 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.544 -0.226 25870 11454 1 17 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.227 0.900 25870 11455 1 17 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.063 -0.034 25870 11456 1 17 . 1 1 769 769 GLU N N 769 115.246 115.246 118.979 -3.733 25870 11457 1 17 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.163 -0.192 25870 11458 1 17 . 1 1 769 769 GLU CA C 769 59.621 59.621 59.078 0.543 25870 11459 1 17 . 1 1 769 769 GLU CB C 769 28.628 28.628 28.379 0.249 25870 11460 1 17 . 1 1 769 769 GLU H H 769 8.622 8.622 8.985 -0.363 25870 11461 1 17 . 1 1 770 770 GLU N N 770 121.127 121.127 119.138 1.989 25870 11462 1 17 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.243 0.029 25870 11463 1 17 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.812 -0.315 25870 11464 1 17 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.999 1.373 25870 11465 1 17 . 1 1 770 770 GLU H H 770 7.493 7.493 7.775 -0.282 25870 11466 1 17 . 1 1 771 771 PHE N N 771 117.688 117.688 122.228 -4.540 25870 11467 1 17 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.280 0.075 25870 11468 1 17 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.545 -1.920 25870 11469 1 17 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.472 -0.662 25870 11470 1 17 . 1 1 771 771 PHE H H 771 9.110 9.110 8.988 0.122 25870 11471 1 17 . 1 1 772 772 LYS N N 772 119.789 119.789 118.556 1.233 25870 11472 1 17 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.651 -0.338 25870 11473 1 17 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.258 2.414 25870 11474 1 17 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.838 1.141 25870 11475 1 17 . 1 1 772 772 LYS H H 772 8.594 8.594 8.112 0.482 25870 11476 1 17 . 1 1 773 773 ALA N N 773 118.461 118.461 120.774 -2.313 25870 11477 1 17 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.035 -0.154 25870 11478 1 17 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.757 1.256 25870 11479 1 17 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.867 -1.238 25870 11480 1 17 . 1 1 773 773 ALA H H 773 7.231 7.231 7.452 -0.221 25870 11481 1 17 . 1 1 774 774 CYS N N 774 120.913 120.913 119.225 1.688 25870 11482 1 17 . 1 1 774 774 CYS HA H 774 2.435 2.435 3.005 -0.570 25870 11483 1 17 . 1 1 774 774 CYS CA C 774 61.174 61.174 62.081 -0.907 25870 11484 1 17 . 1 1 774 774 CYS CB C 774 26.215 26.215 27.221 -1.006 25870 11485 1 17 . 1 1 774 774 CYS H H 774 7.498 7.498 7.668 -0.170 25870 11486 1 17 . 1 1 775 775 LEU N N 775 119.201 119.201 118.583 0.618 25870 11487 1 17 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.555 0.211 25870 11488 1 17 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.398 1.534 25870 11489 1 17 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.078 -0.128 25870 11490 1 17 . 1 1 775 775 LEU H H 775 8.372 8.372 7.541 0.831 25870 11491 1 17 . 1 1 776 776 ILE N N 776 121.051 121.051 117.873 3.178 25870 11492 1 17 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.485 1.605 25870 11493 1 17 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.318 0.926 25870 11494 1 17 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.195 0.796 25870 11495 1 17 . 1 1 776 776 ILE H H 776 8.358 8.358 6.745 1.613 25870 11496 1 17 . 1 1 777 777 SER N N 777 119.109 119.109 114.290 4.819 25870 11497 1 17 . 1 1 777 777 SER HA H 777 4.291 4.291 4.202 0.089 25870 11498 1 17 . 1 1 777 777 SER CA C 777 61.725 61.725 60.240 1.485 25870 11499 1 17 . 1 1 777 777 SER CB C 777 62.995 62.995 62.634 0.361 25870 11500 1 17 . 1 1 777 777 SER H H 777 7.822 7.822 7.282 0.540 25870 11501 1 17 . 1 1 778 778 LEU N N 778 121.208 121.208 117.710 3.498 25870 11502 1 17 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.415 0.091 25870 11503 1 17 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.423 1.575 25870 11504 1 17 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.213 0.457 25870 11505 1 17 . 1 1 778 778 LEU H H 778 7.671 7.671 7.158 0.513 25870 11506 1 17 . 1 1 779 779 GLY N N 779 106.232 106.232 107.448 -1.216 25870 11507 1 17 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.322 -0.035 25870 11508 1 17 . 1 1 779 779 GLY H H 779 7.897 7.897 7.271 0.626 25870 11509 1 17 . 1 1 780 780 TYR N N 780 120.772 120.772 116.671 4.101 25870 11510 1 17 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.538 -0.396 25870 11511 1 17 . 1 1 780 780 TYR CA C 780 59.231 59.231 54.912 4.319 25870 11512 1 17 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.509 -0.168 25870 11513 1 17 . 1 1 780 780 TYR H H 780 8.072 8.072 7.304 0.768 25870 11514 1 17 . 1 1 781 781 ASP N N 781 124.304 124.304 119.634 4.670 25870 11515 1 17 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.681 -0.016 25870 11516 1 17 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.931 -0.783 25870 11517 1 17 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.562 -0.757 25870 11518 1 17 . 1 1 781 781 ASP H H 781 8.862 8.862 9.220 -0.358 25870 11519 1 17 . 1 1 782 782 ILE N N 782 122.271 122.271 112.425 9.846 25870 11520 1 17 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.419 -0.078 25870 11521 1 17 . 1 1 782 782 ILE CA C 782 58.992 58.992 58.675 0.317 25870 11522 1 17 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.636 -2.729 25870 11523 1 17 . 1 1 782 782 ILE H H 782 7.344 7.344 7.064 0.280 25870 11524 1 17 . 1 1 783 783 GLY N N 783 112.322 112.322 106.815 5.507 25870 11525 1 17 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.461 0.062 25870 11526 1 17 . 1 1 783 783 GLY H H 783 8.122 8.122 8.042 0.080 25870 11527 1 17 . 1 1 784 784 ASN N N 784 118.727 118.727 120.258 -1.531 25870 11528 1 17 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.692 0.190 25870 11529 1 17 . 1 1 784 784 ASN CA C 784 52.098 52.098 52.526 -0.428 25870 11530 1 17 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.211 -0.787 25870 11531 1 17 . 1 1 784 784 ASN H H 784 8.452 8.452 8.698 -0.246 25870 11532 1 17 . 1 1 785 785 ASP N N 785 119.826 119.826 120.372 -0.546 25870 11533 1 17 . 1 1 785 785 ASP HA H 785 4.778 4.778 5.032 -0.254 25870 11534 1 17 . 1 1 785 785 ASP CA C 785 52.164 52.164 51.719 0.445 25870 11535 1 17 . 1 1 785 785 ASP CB C 785 39.657 39.657 42.441 -2.784 25870 11536 1 17 . 1 1 785 785 ASP H H 785 8.145 8.145 7.930 0.215 25870 11537 1 17 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.291 -0.020 25870 11538 1 17 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.450 0.815 25870 11539 1 17 . 1 1 786 786 PRO CB C 786 32.011 32.011 31.915 0.096 25870 11540 1 17 . 1 1 787 787 GLN N N 787 118.097 118.097 117.486 0.611 25870 11541 1 17 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.202 -0.061 25870 11542 1 17 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.120 0.995 25870 11543 1 17 . 1 1 787 787 GLN CB C 787 27.732 27.732 27.716 0.016 25870 11544 1 17 . 1 1 787 787 GLN H H 787 8.409 8.409 8.329 0.080 25870 11545 1 17 . 1 1 788 788 GLY N N 788 113.421 113.421 108.235 5.186 25870 11546 1 17 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.409 0.908 25870 11547 1 17 . 1 1 788 788 GLY H H 788 8.644 8.644 8.394 0.250 25870 11548 1 17 . 1 1 789 789 GLU N N 789 121.223 121.223 121.352 -0.129 25870 11549 1 17 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.220 -0.072 25870 11550 1 17 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.546 -0.202 25870 11551 1 17 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.446 -0.011 25870 11552 1 17 . 1 1 789 789 GLU H H 789 8.514 8.514 8.527 -0.013 25870 11553 1 17 . 1 1 790 790 ALA N N 790 122.879 122.879 122.349 0.530 25870 11554 1 17 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.205 0.042 25870 11555 1 17 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.104 -0.197 25870 11556 1 17 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.422 -0.642 25870 11557 1 17 . 1 1 790 790 ALA H H 790 8.024 8.024 7.510 0.514 25870 11558 1 17 . 1 1 791 791 GLU N N 791 122.622 122.622 119.215 3.407 25870 11559 1 17 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.106 0.581 25870 11560 1 17 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.569 -0.435 25870 11561 1 17 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.432 -0.371 25870 11562 1 17 . 1 1 791 791 GLU H H 791 8.280 8.280 7.718 0.562 25870 11563 1 17 . 1 1 792 792 PHE N N 792 119.949 119.949 121.159 -1.210 25870 11564 1 17 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.198 -0.160 25870 11565 1 17 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.347 0.465 25870 11566 1 17 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.511 0.087 25870 11567 1 17 . 1 1 792 792 PHE H H 792 8.722 8.722 8.757 -0.035 25870 11568 1 17 . 1 1 793 793 ALA N N 793 119.652 119.652 121.107 -1.455 25870 11569 1 17 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.257 0.597 25870 11570 1 17 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.409 0.493 25870 11571 1 17 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.867 -0.239 25870 11572 1 17 . 1 1 793 793 ALA H H 793 8.163 8.163 7.695 0.468 25870 11573 1 17 . 1 1 794 794 ARG N N 794 121.092 121.092 119.414 1.678 25870 11574 1 17 . 1 1 794 794 ARG HA H 794 3.910 3.910 3.994 -0.084 25870 11575 1 17 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.151 0.320 25870 11576 1 17 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.235 -0.143 25870 11577 1 17 . 1 1 794 794 ARG H H 794 8.034 8.034 7.729 0.305 25870 11578 1 17 . 1 1 795 795 ILE N N 795 121.394 121.394 120.771 0.623 25870 11579 1 17 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.746 -0.358 25870 11580 1 17 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.131 0.717 25870 11581 1 17 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.281 -0.072 25870 11582 1 17 . 1 1 795 795 ILE H H 795 8.049 8.049 8.228 -0.179 25870 11583 1 17 . 1 1 796 796 MET N N 796 119.012 119.012 118.367 0.645 25870 11584 1 17 . 1 1 796 796 MET HA H 796 4.155 4.155 3.919 0.236 25870 11585 1 17 . 1 1 796 796 MET CA C 796 56.470 56.470 58.250 -1.780 25870 11586 1 17 . 1 1 796 796 MET CB C 796 29.892 29.892 31.660 -1.768 25870 11587 1 17 . 1 1 796 796 MET H H 796 8.589 8.589 8.142 0.447 25870 11588 1 17 . 1 1 797 797 SER N N 797 114.132 114.132 112.879 1.253 25870 11589 1 17 . 1 1 797 797 SER HA H 797 4.097 4.097 4.262 -0.165 25870 11590 1 17 . 1 1 797 797 SER CA C 797 61.231 61.231 60.013 1.218 25870 11591 1 17 . 1 1 797 797 SER CB C 797 62.895 62.895 63.427 -0.532 25870 11592 1 17 . 1 1 797 797 SER H H 797 7.732 7.732 7.521 0.211 25870 11593 1 17 . 1 1 798 798 ILE N N 798 120.873 120.873 116.966 3.907 25870 11594 1 17 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.097 -0.279 25870 11595 1 17 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.152 0.723 25870 11596 1 17 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.689 0.174 25870 11597 1 17 . 1 1 798 798 ILE H H 798 7.352 7.352 7.652 -0.300 25870 11598 1 17 . 1 1 799 799 VAL N N 799 110.552 110.552 112.651 -2.099 25870 11599 1 17 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.084 0.159 25870 11600 1 17 . 1 1 799 799 VAL CA C 799 62.616 62.616 61.034 1.582 25870 11601 1 17 . 1 1 799 799 VAL CB C 799 32.416 32.416 31.319 1.097 25870 11602 1 17 . 1 1 799 799 VAL H H 799 7.648 7.648 7.687 -0.039 25870 11603 1 17 . 1 1 800 800 ASP N N 800 119.435 119.435 120.628 -1.193 25870 11604 1 17 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.085 0.140 25870 11605 1 17 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.092 1.623 25870 11606 1 17 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.752 -0.666 25870 11607 1 17 . 1 1 800 800 ASP H H 800 8.074 8.074 7.488 0.586 25870 11608 1 17 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.394 -0.063 25870 11609 1 17 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.822 0.997 25870 11610 1 17 . 1 1 801 801 PRO CB C 801 31.689 31.689 31.992 -0.303 25870 11611 1 17 . 1 1 802 802 ASN N N 802 115.164 115.164 116.614 -1.450 25870 11612 1 17 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.739 0.021 25870 11613 1 17 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.904 0.095 25870 11614 1 17 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.698 -1.746 25870 11615 1 17 . 1 1 802 802 ASN H H 802 8.949 8.949 7.680 1.269 25870 11616 1 17 . 1 1 803 803 ARG N N 803 117.446 117.446 115.773 1.673 25870 11617 1 17 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.109 -0.279 25870 11618 1 17 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.945 -0.057 25870 11619 1 17 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.188 -0.834 25870 11620 1 17 . 1 1 803 803 ARG H H 803 7.958 7.958 7.906 0.052 25870 11621 1 17 . 1 1 804 804 LEU N N 804 123.307 123.307 116.686 6.621 25870 11622 1 17 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.704 -0.548 25870 11623 1 17 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.488 1.885 25870 11624 1 17 . 1 1 804 804 LEU CB C 804 42.930 42.930 42.099 0.831 25870 11625 1 17 . 1 1 804 804 LEU H H 804 10.591 10.591 8.088 2.503 25870 11626 1 17 . 1 1 805 805 GLY N N 805 110.516 110.516 107.865 2.651 25870 11627 1 17 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.620 -0.676 25870 11628 1 17 . 1 1 805 805 GLY H H 805 11.001 11.001 8.940 2.061 25870 11629 1 17 . 1 1 806 806 VAL N N 806 109.840 109.840 114.811 -4.971 25870 11630 1 17 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.336 0.235 25870 11631 1 17 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.356 -0.790 25870 11632 1 17 . 1 1 806 806 VAL CB C 806 36.853 36.853 35.108 1.745 25870 11633 1 17 . 1 1 806 806 VAL H H 806 6.831 6.831 7.044 -0.213 25870 11634 1 17 . 1 1 807 807 VAL N N 807 122.184 122.184 122.451 -0.267 25870 11635 1 17 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.328 -0.161 25870 11636 1 17 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.773 0.871 25870 11637 1 17 . 1 1 807 807 VAL CB C 807 32.383 32.383 32.219 0.164 25870 11638 1 17 . 1 1 807 807 VAL H H 807 9.007 9.007 8.742 0.265 25870 11639 1 17 . 1 1 808 808 THR N N 808 117.391 117.391 118.371 -0.980 25870 11640 1 17 . 1 1 808 808 THR HA H 808 4.593 4.593 4.666 -0.073 25870 11641 1 17 . 1 1 808 808 THR CA C 808 60.615 60.615 58.938 1.677 25870 11642 1 17 . 1 1 808 808 THR CB C 808 70.695 70.695 71.530 -0.835 25870 11643 1 17 . 1 1 808 808 THR H H 808 7.925 7.925 7.625 0.300 25870 11644 1 17 . 1 1 809 809 PHE N N 809 122.236 122.236 119.481 2.755 25870 11645 1 17 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.429 -0.789 25870 11646 1 17 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.252 0.497 25870 11647 1 17 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.504 0.673 25870 11648 1 17 . 1 1 809 809 PHE H H 809 9.349 9.349 8.316 1.033 25870 11649 1 17 . 1 1 810 810 GLN N N 810 116.788 116.788 116.453 0.335 25870 11650 1 17 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.210 -0.612 25870 11651 1 17 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.705 0.877 25870 11652 1 17 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.579 -0.380 25870 11653 1 17 . 1 1 810 810 GLN H H 810 8.572 8.572 7.739 0.833 25870 11654 1 17 . 1 1 811 811 ALA N N 811 121.208 121.208 121.761 -0.553 25870 11655 1 17 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.224 -0.105 25870 11656 1 17 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.658 1.253 25870 11657 1 17 . 1 1 811 811 ALA CB C 811 19.265 19.265 19.082 0.182 25870 11658 1 17 . 1 1 811 811 ALA H H 811 7.667 7.667 7.677 -0.010 25870 11659 1 17 . 1 1 812 812 PHE N N 812 119.805 119.805 118.861 0.944 25870 11660 1 17 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.365 -0.385 25870 11661 1 17 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.061 -0.321 25870 11662 1 17 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.650 1.020 25870 11663 1 17 . 1 1 812 812 PHE H H 812 8.400 8.400 8.315 0.085 25870 11664 1 17 . 1 1 813 813 ILE N N 813 118.098 118.098 118.795 -0.697 25870 11665 1 17 . 1 1 813 813 ILE HA H 813 3.146 3.146 4.018 -0.872 25870 11666 1 17 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.530 0.769 25870 11667 1 17 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.381 -0.179 25870 11668 1 17 . 1 1 813 813 ILE H H 813 8.364 8.364 7.863 0.501 25870 11669 1 17 . 1 1 814 814 ASP N N 814 123.528 123.528 120.520 3.008 25870 11670 1 17 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.376 -0.180 25870 11671 1 17 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.404 0.276 25870 11672 1 17 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.703 -0.467 25870 11673 1 17 . 1 1 814 814 ASP H H 814 8.221 8.221 7.873 0.348 25870 11674 1 17 . 1 1 815 815 PHE N N 815 120.584 120.584 120.256 0.328 25870 11675 1 17 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.431 -0.302 25870 11676 1 17 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.663 0.421 25870 11677 1 17 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.657 0.041 25870 11678 1 17 . 1 1 815 815 PHE H H 815 7.887 7.887 7.780 0.107 25870 11679 1 17 . 1 1 816 816 MET N N 816 116.960 116.960 118.530 -1.570 25870 11680 1 17 . 1 1 816 816 MET HA H 816 3.782 3.782 4.130 -0.348 25870 11681 1 17 . 1 1 816 816 MET CA C 816 55.662 55.662 57.047 -1.385 25870 11682 1 17 . 1 1 816 816 MET CB C 816 30.033 30.033 31.710 -1.677 25870 11683 1 17 . 1 1 816 816 MET H H 816 8.372 8.372 8.106 0.266 25870 11684 1 17 . 1 1 817 817 SER N N 817 114.277 114.277 112.104 2.173 25870 11685 1 17 . 1 1 817 817 SER HA H 817 4.194 4.194 4.396 -0.202 25870 11686 1 17 . 1 1 817 817 SER CA C 817 60.521 60.521 60.010 0.511 25870 11687 1 17 . 1 1 817 817 SER CB C 817 63.185 63.185 63.529 -0.344 25870 11688 1 17 . 1 1 817 817 SER H H 817 8.074 8.074 8.292 -0.218 25870 11689 1 17 . 1 1 818 818 ARG N N 818 121.493 121.493 121.844 -0.351 25870 11690 1 17 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.101 0.023 25870 11691 1 17 . 1 1 818 818 ARG CA C 818 57.684 57.684 57.820 -0.136 25870 11692 1 17 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.593 0.722 25870 11693 1 17 . 1 1 818 818 ARG H H 818 7.288 7.288 7.814 -0.526 25870 11694 1 17 . 1 1 819 819 GLU N N 819 119.737 119.737 117.829 1.908 25870 11695 1 17 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.093 0.008 25870 11696 1 17 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.732 -1.666 25870 11697 1 17 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.326 1.165 25870 11698 1 17 . 1 1 819 819 GLU H H 819 8.045 8.045 7.791 0.254 25870 11699 1 17 . 1 1 820 820 THR N N 820 112.128 112.128 110.236 1.892 25870 11700 1 17 . 1 1 820 820 THR HA H 820 4.280 4.280 4.112 0.168 25870 11701 1 17 . 1 1 820 820 THR CA C 820 62.055 62.055 63.083 -1.028 25870 11702 1 17 . 1 1 820 820 THR CB C 820 69.828 69.828 68.698 1.131 25870 11703 1 17 . 1 1 820 820 THR H H 820 7.760 7.760 7.413 0.347 25870 11704 1 17 . 1 1 821 821 ALA N N 821 126.098 126.098 125.048 1.050 25870 11705 1 17 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.303 -0.019 25870 11706 1 17 . 1 1 821 821 ALA CA C 821 52.726 52.726 51.258 1.468 25870 11707 1 17 . 1 1 821 821 ALA CB C 821 19.304 19.304 20.296 -0.992 25870 11708 1 17 . 1 1 821 821 ALA H H 821 7.957 7.957 7.415 0.542 25870 11709 1 17 . 1 1 822 822 ASP N N 822 119.904 119.904 121.383 -1.479 25870 11710 1 17 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.517 0.096 25870 11711 1 17 . 1 1 822 822 ASP CA C 822 54.335 54.335 54.638 -0.303 25870 11712 1 17 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.460 -0.428 25870 11713 1 17 . 1 1 822 822 ASP H H 822 8.352 8.352 8.379 -0.027 25870 11714 1 17 . 1 1 823 823 THR N N 823 114.142 114.142 117.552 -3.410 25870 11715 1 17 . 1 1 823 823 THR HA H 823 4.278 4.278 4.622 -0.344 25870 11716 1 17 . 1 1 823 823 THR CA C 823 62.117 62.117 60.842 1.275 25870 11717 1 17 . 1 1 823 823 THR CB C 823 69.584 69.584 71.672 -2.088 25870 11718 1 17 . 1 1 823 823 THR H H 823 8.079 8.079 8.427 -0.348 25870 11719 1 17 . 1 1 824 824 ASP N N 824 123.261 123.261 123.565 -0.304 25870 11720 1 17 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.470 0.187 25870 11721 1 17 . 1 1 824 824 ASP CA C 824 54.786 54.786 57.217 -2.431 25870 11722 1 17 . 1 1 824 824 ASP CB C 824 41.085 41.085 41.054 0.031 25870 11723 1 17 . 1 1 824 824 ASP H H 824 8.431 8.431 8.957 -0.526 25870 11724 1 17 . 1 1 825 825 THR N N 825 114.932 114.932 113.735 1.197 25870 11725 1 17 . 1 1 825 825 THR HA H 825 4.161 4.161 4.237 -0.076 25870 11726 1 17 . 1 1 825 825 THR CA C 825 63.109 63.109 64.314 -1.205 25870 11727 1 17 . 1 1 825 825 THR CB C 825 69.455 69.455 68.740 0.715 25870 11728 1 17 . 1 1 825 825 THR H H 825 8.155 8.155 8.574 -0.419 25870 11729 1 17 . 1 1 826 826 ALA N N 826 124.961 124.961 124.498 0.463 25870 11730 1 17 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.170 -0.010 25870 11731 1 17 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.239 0.153 25870 11732 1 17 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.463 0.147 25870 11733 1 17 . 1 1 826 826 ALA H H 826 8.379 8.379 7.462 0.917 25870 11734 1 17 . 1 1 827 827 ASP N N 827 117.765 117.765 118.341 -0.576 25870 11735 1 17 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.355 0.070 25870 11736 1 17 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.343 -1.292 25870 11737 1 17 . 1 1 827 827 ASP CB C 827 40.559 40.559 41.095 -0.536 25870 11738 1 17 . 1 1 827 827 ASP H H 827 8.250 8.250 7.908 0.342 25870 11739 1 17 . 1 1 828 828 GLN N N 828 120.523 120.523 117.938 2.585 25870 11740 1 17 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.062 0.029 25870 11741 1 17 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.178 -0.364 25870 11742 1 17 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.706 -0.157 25870 11743 1 17 . 1 1 828 828 GLN H H 828 8.076 8.076 7.673 0.403 25870 11744 1 17 . 1 1 829 829 VAL N N 829 120.970 120.970 119.425 1.545 25870 11745 1 17 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.832 -0.307 25870 11746 1 17 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.478 0.716 25870 11747 1 17 . 1 1 829 829 VAL CB C 829 31.541 31.541 32.072 -0.531 25870 11748 1 17 . 1 1 829 829 VAL H H 829 8.051 8.051 7.280 0.771 25870 11749 1 17 . 1 1 830 830 MET N N 830 119.572 119.572 119.018 0.554 25870 11750 1 17 . 1 1 830 830 MET HA H 830 4.006 4.006 4.054 -0.048 25870 11751 1 17 . 1 1 830 830 MET CA C 830 57.977 57.977 57.910 0.067 25870 11752 1 17 . 1 1 830 830 MET CB C 830 31.995 31.995 32.081 -0.086 25870 11753 1 17 . 1 1 830 830 MET H H 830 8.110 8.110 8.444 -0.334 25870 11754 1 17 . 1 1 831 831 ALA N N 831 121.059 121.059 121.839 -0.780 25870 11755 1 17 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.282 0.763 25870 11756 1 17 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.022 0.479 25870 11757 1 17 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.434 0.633 25870 11758 1 17 . 1 1 831 831 ALA H H 831 7.836 7.836 7.601 0.235 25870 11759 1 17 . 1 1 832 832 SER N N 832 114.256 114.256 115.790 -1.534 25870 11760 1 17 . 1 1 832 832 SER HA H 832 4.141 4.141 3.958 0.183 25870 11761 1 17 . 1 1 832 832 SER CA C 832 60.845 60.845 61.198 -0.353 25870 11762 1 17 . 1 1 832 832 SER CB C 832 62.613 62.613 62.852 -0.240 25870 11763 1 17 . 1 1 832 832 SER H H 832 7.714 7.714 7.425 0.289 25870 11764 1 17 . 1 1 833 833 PHE N N 833 121.847 121.847 119.364 2.483 25870 11765 1 17 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.211 -0.388 25870 11766 1 17 . 1 1 833 833 PHE CA C 833 58.627 58.627 57.736 0.891 25870 11767 1 17 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.325 0.802 25870 11768 1 17 . 1 1 833 833 PHE H H 833 7.740 7.740 7.761 -0.021 25870 11769 1 17 . 1 1 834 834 LYS N N 834 118.759 118.759 120.380 -1.621 25870 11770 1 17 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.730 -0.141 25870 11771 1 17 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.123 1.261 25870 11772 1 17 . 1 1 834 834 LYS CB C 834 32.143 32.143 32.023 0.120 25870 11773 1 17 . 1 1 834 834 LYS H H 834 7.843 7.843 7.909 -0.066 25870 11774 1 17 . 1 1 835 835 ILE N N 835 118.537 118.537 119.643 -1.106 25870 11775 1 17 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.732 0.004 25870 11776 1 17 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.676 -0.962 25870 11777 1 17 . 1 1 835 835 ILE CB C 835 37.825 37.825 37.933 -0.108 25870 11778 1 17 . 1 1 835 835 ILE H H 835 7.315 7.315 7.131 0.184 25870 11779 1 17 . 1 1 836 836 LEU N N 836 121.201 121.201 119.132 2.069 25870 11780 1 17 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.902 0.053 25870 11781 1 17 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.301 -0.227 25870 11782 1 17 . 1 1 836 836 LEU CB C 836 42.415 42.415 41.976 0.439 25870 11783 1 17 . 1 1 836 836 LEU H H 836 7.625 7.625 8.029 -0.404 25870 11784 1 17 . 1 1 837 837 ALA N N 837 119.184 119.184 118.279 0.905 25870 11785 1 17 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.898 -0.003 25870 11786 1 17 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.760 -0.459 25870 11787 1 17 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.076 0.262 25870 11788 1 17 . 1 1 837 837 ALA H H 837 8.099 8.099 7.496 0.603 25870 11789 1 17 . 1 1 838 838 GLY N N 838 107.030 107.030 106.742 0.288 25870 11790 1 17 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.561 0.357 25870 11791 1 17 . 1 1 838 838 GLY H H 838 7.676 7.676 8.175 -0.499 25870 11792 1 17 . 1 1 839 839 ASP N N 839 122.291 122.291 124.366 -2.075 25870 11793 1 17 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.898 -0.421 25870 11794 1 17 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.392 1.119 25870 11795 1 17 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.694 -1.513 25870 11796 1 17 . 1 1 839 839 ASP H H 839 8.704 8.704 8.048 0.656 25870 11797 1 17 . 1 1 840 840 LYS N N 840 117.582 117.582 120.392 -2.810 25870 11798 1 17 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.572 -0.271 25870 11799 1 17 . 1 1 840 840 LYS CA C 840 55.780 55.780 55.801 -0.021 25870 11800 1 17 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.484 0.226 25870 11801 1 17 . 1 1 840 840 LYS H H 840 7.583 7.583 7.518 0.065 25870 11802 1 17 . 1 1 841 841 ASN N N 841 116.678 116.678 116.517 0.161 25870 11803 1 17 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.573 0.038 25870 11804 1 17 . 1 1 841 841 ASN CA C 841 53.466 53.466 54.035 -0.570 25870 11805 1 17 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.059 0.096 25870 11806 1 17 . 1 1 841 841 ASN H H 841 8.693 8.693 9.007 -0.314 25870 11807 1 17 . 1 1 842 842 TYR N N 842 112.236 112.236 114.130 -1.894 25870 11808 1 17 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.867 0.119 25870 11809 1 17 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.210 -1.292 25870 11810 1 17 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.269 0.326 25870 11811 1 17 . 1 1 842 842 TYR H H 842 6.637 6.637 7.322 -0.685 25870 11812 1 17 . 1 1 843 843 ILE N N 843 115.475 115.475 120.588 -5.113 25870 11813 1 17 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.699 0.093 25870 11814 1 17 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.005 0.952 25870 11815 1 17 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.992 0.016 25870 11816 1 17 . 1 1 843 843 ILE H H 843 8.630 8.630 9.138 -0.508 25870 11817 1 17 . 1 1 844 844 THR N N 844 117.169 117.169 117.036 0.133 25870 11818 1 17 . 1 1 844 844 THR HA H 844 5.370 5.370 5.315 0.055 25870 11819 1 17 . 1 1 844 844 THR CA C 844 60.177 60.177 60.164 0.013 25870 11820 1 17 . 1 1 844 844 THR CB C 844 71.088 71.088 71.051 0.037 25870 11821 1 17 . 1 1 844 844 THR H H 844 9.330 9.330 9.124 0.206 25870 11822 1 17 . 1 1 845 845 MET N N 845 119.860 119.860 120.769 -0.909 25870 11823 1 17 . 1 1 845 845 MET HA H 845 3.824 3.824 4.063 -0.239 25870 11824 1 17 . 1 1 845 845 MET CA C 845 60.321 60.321 60.424 -0.103 25870 11825 1 17 . 1 1 845 845 MET CB C 845 33.030 33.030 32.407 0.623 25870 11826 1 17 . 1 1 845 845 MET H H 845 8.556 8.556 8.837 -0.281 25870 11827 1 17 . 1 1 846 846 ASP N N 846 116.363 116.363 118.646 -2.283 25870 11828 1 17 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.410 -0.130 25870 11829 1 17 . 1 1 846 846 ASP CA C 846 57.404 57.404 57.254 0.150 25870 11830 1 17 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.317 0.267 25870 11831 1 17 . 1 1 846 846 ASP H H 846 8.377 8.377 8.669 -0.292 25870 11832 1 17 . 1 1 847 847 GLU N N 847 120.577 120.577 118.481 2.096 25870 11833 1 17 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.120 -0.266 25870 11834 1 17 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.843 0.814 25870 11835 1 17 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.061 -0.402 25870 11836 1 17 . 1 1 847 847 GLU H H 847 7.855 7.855 7.665 0.190 25870 11837 1 17 . 1 1 848 848 LEU N N 848 118.714 118.714 119.570 -0.856 25870 11838 1 17 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.071 -0.249 25870 11839 1 17 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.730 0.995 25870 11840 1 17 . 1 1 848 848 LEU CB C 848 42.457 42.457 42.027 0.430 25870 11841 1 17 . 1 1 848 848 LEU H H 848 7.849 7.849 7.652 0.197 25870 11842 1 17 . 1 1 849 849 ARG N N 849 113.972 113.972 115.737 -1.765 25870 11843 1 17 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.443 -0.519 25870 11844 1 17 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.615 0.980 25870 11845 1 17 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.630 0.470 25870 11846 1 17 . 1 1 849 849 ARG H H 849 8.053 8.053 8.015 0.038 25870 11847 1 17 . 1 1 850 850 ARG N N 850 118.178 118.178 119.067 -0.889 25870 11848 1 17 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.337 -0.144 25870 11849 1 17 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.975 0.270 25870 11850 1 17 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.194 -0.074 25870 11851 1 17 . 1 1 850 850 ARG H H 850 7.743 7.743 7.686 0.057 25870 11852 1 17 . 1 1 851 851 GLU N N 851 115.518 115.518 118.232 -2.714 25870 11853 1 17 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.258 0.092 25870 11854 1 17 . 1 1 851 851 GLU CA C 851 56.886 56.886 58.039 -1.153 25870 11855 1 17 . 1 1 851 851 GLU CB C 851 31.590 31.590 30.646 0.944 25870 11856 1 17 . 1 1 851 851 GLU H H 851 7.596 7.596 7.772 -0.176 25870 11857 1 17 . 1 1 852 852 LEU N N 852 119.148 119.148 121.914 -2.766 25870 11858 1 17 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.123 -0.230 25870 11859 1 17 . 1 1 852 852 LEU CA C 852 52.174 52.174 50.800 1.373 25870 11860 1 17 . 1 1 852 852 LEU CB C 852 42.469 42.469 42.248 0.221 25870 11861 1 17 . 1 1 852 852 LEU H H 852 7.890 7.890 7.838 0.052 25870 11862 1 17 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.572 -0.225 25870 11863 1 17 . 1 1 853 853 PRO CA C 853 65.119 65.119 63.663 1.456 25870 11864 1 17 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.781 0.850 25870 11865 1 17 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.495 -0.225 25870 11866 1 17 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.849 4.487 25870 11867 1 17 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.322 -1.066 25870 11868 1 17 . 1 1 855 855 ASP N N 855 114.865 114.865 119.339 -4.474 25870 11869 1 17 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.465 -0.116 25870 11870 1 17 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.126 -0.213 25870 11871 1 17 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.614 -1.370 25870 11872 1 17 . 1 1 855 855 ASP H H 855 8.801 8.801 8.246 0.555 25870 11873 1 17 . 1 1 856 856 GLN N N 856 121.465 121.465 118.166 3.299 25870 11874 1 17 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.226 -0.027 25870 11875 1 17 . 1 1 856 856 GLN CA C 856 58.317 58.317 58.980 -0.663 25870 11876 1 17 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.187 1.060 25870 11877 1 17 . 1 1 856 856 GLN H H 856 7.472 7.472 8.611 -1.139 25870 11878 1 17 . 1 1 857 857 ALA N N 857 122.805 122.805 122.338 0.467 25870 11879 1 17 . 1 1 857 857 ALA HA H 857 3.799 3.799 4.015 -0.216 25870 11880 1 17 . 1 1 857 857 ALA CA C 857 56.303 56.303 55.583 0.720 25870 11881 1 17 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.467 -0.523 25870 11882 1 17 . 1 1 857 857 ALA H H 857 8.882 8.882 8.176 0.706 25870 11883 1 17 . 1 1 858 858 GLU N N 858 114.094 114.094 118.675 -4.581 25870 11884 1 17 . 1 1 858 858 GLU HA H 858 4.024 4.024 3.990 0.034 25870 11885 1 17 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.621 0.061 25870 11886 1 17 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.277 -0.638 25870 11887 1 17 . 1 1 858 858 GLU H H 858 8.155 8.155 8.115 0.040 25870 11888 1 17 . 1 1 859 859 TYR N N 859 120.665 120.665 122.437 -1.772 25870 11889 1 17 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.178 -0.094 25870 11890 1 17 . 1 1 859 859 TYR CA C 859 61.006 61.006 60.765 0.241 25870 11891 1 17 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.140 0.547 25870 11892 1 17 . 1 1 859 859 TYR H H 859 7.708 7.708 8.480 -0.772 25870 11893 1 17 . 1 1 860 860 CYS N N 860 115.812 115.812 117.019 -1.207 25870 11894 1 17 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.474 0.684 25870 11895 1 17 . 1 1 860 860 CYS CA C 860 64.254 64.254 63.775 0.479 25870 11896 1 17 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.967 0.337 25870 11897 1 17 . 1 1 860 860 CYS H H 860 8.113 8.113 7.568 0.545 25870 11898 1 17 . 1 1 861 861 ILE N N 861 120.078 120.078 120.049 0.029 25870 11899 1 17 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.673 -0.334 25870 11900 1 17 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.382 0.261 25870 11901 1 17 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.674 1.040 25870 11902 1 17 . 1 1 861 861 ILE H H 861 8.453 8.453 8.114 0.339 25870 11903 1 17 . 1 1 862 862 ALA N N 862 116.691 116.691 122.341 -5.650 25870 11904 1 17 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.012 0.197 25870 11905 1 17 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.755 -1.533 25870 11906 1 17 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.697 0.305 25870 11907 1 17 . 1 1 862 862 ALA H H 862 7.307 7.307 8.210 -0.903 25870 11908 1 17 . 1 1 863 863 ARG N N 863 117.226 117.226 114.706 2.520 25870 11909 1 17 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.552 -0.278 25870 11910 1 17 . 1 1 863 863 ARG CA C 863 56.051 56.051 55.967 0.084 25870 11911 1 17 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.728 0.661 25870 11912 1 17 . 1 1 863 863 ARG H H 863 7.358 7.358 7.504 -0.146 25870 11913 1 17 . 1 1 864 864 MET N N 864 117.583 117.583 118.468 -0.885 25870 11914 1 17 . 1 1 864 864 MET HA H 864 4.561 4.561 4.392 0.169 25870 11915 1 17 . 1 1 864 864 MET CA C 864 54.927 54.927 55.956 -1.029 25870 11916 1 17 . 1 1 864 864 MET CB C 864 37.418 37.418 34.161 3.257 25870 11917 1 17 . 1 1 864 864 MET H H 864 7.153 7.153 7.253 -0.100 25870 11918 1 17 . 1 1 865 865 ALA N N 865 124.643 124.643 126.279 -1.636 25870 11919 1 17 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.651 -0.785 25870 11920 1 17 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.963 -0.769 25870 11921 1 17 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.513 0.134 25870 11922 1 17 . 1 1 865 865 ALA H H 865 8.557 8.557 8.218 0.339 25870 11923 1 17 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.537 -0.041 25870 11924 1 17 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.889 -0.165 25870 11925 1 17 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.409 1.571 25870 11926 1 17 . 1 1 867 867 TYR N N 867 122.461 122.461 126.971 -4.510 25870 11927 1 17 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.572 0.156 25870 11928 1 17 . 1 1 867 867 TYR CA C 867 57.096 57.096 57.341 -0.245 25870 11929 1 17 . 1 1 867 867 TYR CB C 867 39.175 39.175 38.733 0.442 25870 11930 1 17 . 1 1 867 867 TYR H H 867 8.128 8.128 8.091 0.037 25870 11931 1 17 . 1 1 868 868 THR HA H 868 4.351 4.351 4.640 -0.289 25870 11932 1 17 . 1 1 868 868 THR CA C 868 60.271 60.271 60.147 0.124 25870 11933 1 17 . 1 1 868 868 THR CB C 868 68.737 68.737 71.527 -2.790 25870 11934 1 17 . 1 1 869 869 GLY CA C 869 44.914 44.914 44.780 0.134 25870 11935 1 17 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.440 -0.111 25870 11936 1 17 . 1 1 870 870 PRO CA C 870 64.697 64.697 63.920 0.777 25870 11937 1 17 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.288 -0.709 25870 11938 1 17 . 1 1 871 871 ASP N N 871 116.207 116.207 118.360 -2.153 25870 11939 1 17 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.809 -0.205 25870 11940 1 17 . 1 1 871 871 ASP CA C 871 52.749 52.749 53.432 -0.683 25870 11941 1 17 . 1 1 871 871 ASP CB C 871 38.929 38.929 41.240 -2.311 25870 11942 1 17 . 1 1 871 871 ASP H H 871 9.267 9.267 8.475 0.792 25870 11943 1 17 . 1 1 872 872 SER N N 872 112.349 112.349 115.388 -3.039 25870 11944 1 17 . 1 1 872 872 SER HA H 872 3.497 3.497 4.509 -1.012 25870 11945 1 17 . 1 1 872 872 SER CA C 872 59.065 59.065 57.587 1.478 25870 11946 1 17 . 1 1 872 872 SER CB C 872 63.125 63.125 65.410 -2.285 25870 11947 1 17 . 1 1 872 872 SER H H 872 7.487 7.487 7.368 0.119 25870 11948 1 17 . 1 1 873 873 VAL N N 873 113.567 113.567 115.355 -1.788 25870 11949 1 17 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.535 0.194 25870 11950 1 17 . 1 1 873 873 VAL CA C 873 58.044 58.044 58.448 -0.404 25870 11951 1 17 . 1 1 873 873 VAL CB C 873 32.911 32.911 31.918 0.993 25870 11952 1 17 . 1 1 873 873 VAL H H 873 6.411 6.411 7.998 -1.587 25870 11953 1 17 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.424 -0.128 25870 11954 1 17 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.779 0.556 25870 11955 1 17 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.984 -0.469 25870 11956 1 17 . 1 1 875 875 GLY N N 875 112.118 112.118 107.439 4.679 25870 11957 1 17 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.495 1.062 25870 11958 1 17 . 1 1 875 875 GLY H H 875 8.800 8.800 8.116 0.684 25870 11959 1 17 . 1 1 876 876 ALA N N 876 120.262 120.262 124.441 -4.179 25870 11960 1 17 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.692 -1.592 25870 11961 1 17 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.257 2.816 25870 11962 1 17 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.767 -1.259 25870 11963 1 17 . 1 1 876 876 ALA H H 876 7.762 7.762 7.794 -0.032 25870 11964 1 17 . 1 1 877 877 LEU N N 877 125.695 125.695 121.167 4.528 25870 11965 1 17 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.160 -0.384 25870 11966 1 17 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.790 0.479 25870 11967 1 17 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.110 -2.311 25870 11968 1 17 . 1 1 877 877 LEU H H 877 9.595 9.595 9.342 0.253 25870 11969 1 17 . 1 1 878 878 ASP N N 878 119.823 119.823 121.531 -1.708 25870 11970 1 17 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.463 0.416 25870 11971 1 17 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.284 -0.287 25870 11972 1 17 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.245 -0.464 25870 11973 1 17 . 1 1 878 878 ASP H H 878 9.031 9.031 8.257 0.774 25870 11974 1 17 . 1 1 879 879 TYR N N 879 126.556 126.556 124.237 2.319 25870 11975 1 17 . 1 1 879 879 TYR HA H 879 4.591 4.591 3.766 0.825 25870 11976 1 17 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.368 0.028 25870 11977 1 17 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.283 0.038 25870 11978 1 17 . 1 1 879 879 TYR H H 879 7.456 7.456 7.851 -0.395 25870 11979 1 17 . 1 1 880 880 MET N N 880 119.958 119.958 112.863 7.095 25870 11980 1 17 . 1 1 880 880 MET HA H 880 4.605 4.605 4.697 -0.092 25870 11981 1 17 . 1 1 880 880 MET CA C 880 56.044 56.044 56.569 -0.525 25870 11982 1 17 . 1 1 880 880 MET CB C 880 30.101 30.101 33.171 -3.070 25870 11983 1 17 . 1 1 880 880 MET H H 880 7.627 7.627 7.355 0.272 25870 11984 1 17 . 1 1 881 881 SER N N 881 114.328 114.328 115.703 -1.375 25870 11985 1 17 . 1 1 881 881 SER HA H 881 4.471 4.471 4.612 -0.141 25870 11986 1 17 . 1 1 881 881 SER CA C 881 58.917 58.917 57.286 1.631 25870 11987 1 17 . 1 1 881 881 SER CB C 881 64.447 64.447 63.763 0.684 25870 11988 1 17 . 1 1 881 881 SER H H 881 7.726 7.726 7.944 -0.218 25870 11989 1 17 . 1 1 882 882 PHE N N 882 122.735 122.735 119.715 3.020 25870 11990 1 17 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.406 0.316 25870 11991 1 17 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.209 2.022 25870 11992 1 17 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.204 1.081 25870 11993 1 17 . 1 1 882 882 PHE H H 882 7.385 7.385 7.323 0.062 25870 11994 1 17 . 1 1 883 883 SER N N 883 120.156 120.156 115.835 4.321 25870 11995 1 17 . 1 1 883 883 SER HA H 883 4.299 4.299 4.448 -0.149 25870 11996 1 17 . 1 1 883 883 SER CA C 883 57.280 57.280 57.519 -0.239 25870 11997 1 17 . 1 1 883 883 SER CB C 883 64.601 64.601 64.258 0.343 25870 11998 1 17 . 1 1 883 883 SER H H 883 7.472 7.472 8.628 -1.156 25870 11999 1 17 . 1 1 884 884 THR N N 884 110.683 110.683 116.846 -6.163 25870 12000 1 17 . 1 1 884 884 THR HA H 884 3.966 3.966 4.342 -0.376 25870 12001 1 17 . 1 1 884 884 THR CA C 884 63.465 63.465 61.521 1.944 25870 12002 1 17 . 1 1 884 884 THR CB C 884 68.899 68.899 68.692 0.207 25870 12003 1 17 . 1 1 884 884 THR H H 884 7.996 7.996 8.140 -0.144 25870 12004 1 17 . 1 1 885 885 ALA N N 885 125.456 125.456 123.319 2.137 25870 12005 1 17 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.622 -0.386 25870 12006 1 17 . 1 1 885 885 ALA CA C 885 52.030 52.030 50.735 1.295 25870 12007 1 17 . 1 1 885 885 ALA CB C 885 19.225 19.225 21.147 -1.922 25870 12008 1 17 . 1 1 885 885 ALA H H 885 7.905 7.905 7.396 0.509 25870 12009 1 17 . 1 1 886 886 LEU N N 886 120.638 120.638 122.663 -2.025 25870 12010 1 17 . 1 1 886 886 LEU HA H 886 4.002 4.002 4.192 -0.190 25870 12011 1 17 . 1 1 886 886 LEU CA C 886 55.462 55.462 55.076 0.386 25870 12012 1 17 . 1 1 886 886 LEU CB C 886 42.265 42.265 42.316 -0.050 25870 12013 1 17 . 1 1 886 886 LEU H H 886 8.079 8.079 8.314 -0.235 25870 12014 1 17 . 1 1 887 887 TYR N N 887 121.526 121.526 121.645 -0.119 25870 12015 1 17 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.191 0.165 25870 12016 1 17 . 1 1 887 887 TYR CA C 887 58.750 58.750 58.923 -0.173 25870 12017 1 17 . 1 1 887 887 TYR CB C 887 38.569 38.569 37.797 0.772 25870 12018 1 17 . 1 1 887 887 TYR H H 887 8.267 8.267 8.548 -0.281 25870 12019 1 17 . 1 1 888 888 GLY N N 888 112.379 112.379 109.130 3.249 25870 12020 1 17 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.737 0.353 25870 12021 1 17 . 1 1 888 888 GLY H H 888 8.087 8.087 7.581 0.506 25870 12022 1 17 . 1 1 889 889 GLU N N 889 120.255 120.255 119.715 0.540 25870 12023 1 17 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.601 -0.345 25870 12024 1 17 . 1 1 889 889 GLU CA C 889 56.445 56.445 55.766 0.680 25870 12025 1 17 . 1 1 889 889 GLU CB C 889 30.393 30.393 31.384 -0.991 25870 12026 1 17 . 1 1 889 889 GLU H H 889 7.994 7.994 8.346 -0.352 25870 12027 1 17 . 1 1 890 890 SER N N 890 116.375 116.375 117.723 -1.348 25870 12028 1 17 . 1 1 890 890 SER HA H 890 4.415 4.415 4.651 -0.236 25870 12029 1 17 . 1 1 890 890 SER CA C 890 58.204 58.204 57.706 0.498 25870 12030 1 17 . 1 1 890 890 SER CB C 890 63.913 63.913 64.794 -0.881 25870 12031 1 17 . 1 1 890 890 SER H H 890 8.329 8.329 8.615 -0.286 25870 12032 1 17 . 1 1 891 891 ASP N N 891 123.017 123.017 121.605 1.412 25870 12033 1 17 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.742 -0.132 25870 12034 1 17 . 1 1 891 891 ASP CA C 891 54.371 54.371 54.939 -0.568 25870 12035 1 17 . 1 1 891 891 ASP CB C 891 41.013 41.013 41.222 -0.209 25870 12036 1 17 . 1 1 891 891 ASP H H 891 8.394 8.394 8.644 -0.250 25870 12037 1 18 . 1 1 742 742 SER HA H 742 4.525 4.525 4.403 0.122 25870 12038 1 18 . 1 1 742 742 SER CA C 742 58.148 58.148 59.721 -1.573 25870 12039 1 18 . 1 1 742 742 SER CB C 742 63.791 63.791 63.427 0.364 25870 12040 1 18 . 1 1 743 743 ILE N N 743 122.172 122.172 121.528 0.644 25870 12041 1 18 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.013 0.349 25870 12042 1 18 . 1 1 743 743 ILE CA C 743 60.421 60.421 61.986 -1.565 25870 12043 1 18 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.691 0.475 25870 12044 1 18 . 1 1 743 743 ILE H H 743 8.132 8.132 7.906 0.226 25870 12045 1 18 . 1 1 744 744 SER N N 744 123.144 123.144 123.298 -0.154 25870 12046 1 18 . 1 1 744 744 SER HA H 744 4.449 4.449 4.692 -0.243 25870 12047 1 18 . 1 1 744 744 SER CA C 744 57.463 57.463 57.177 0.286 25870 12048 1 18 . 1 1 744 744 SER CB C 744 65.219 65.219 66.046 -0.827 25870 12049 1 18 . 1 1 744 744 SER H H 744 8.848 8.848 8.329 0.519 25870 12050 1 18 . 1 1 745 745 GLN N N 745 121.619 121.619 121.356 0.263 25870 12051 1 18 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.126 -0.174 25870 12052 1 18 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.163 -0.395 25870 12053 1 18 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.647 -0.135 25870 12054 1 18 . 1 1 745 745 GLN H H 745 9.042 9.042 9.130 -0.088 25870 12055 1 18 . 1 1 746 746 GLU N N 746 118.648 118.648 118.998 -0.350 25870 12056 1 18 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.161 -0.157 25870 12057 1 18 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.717 1.506 25870 12058 1 18 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.300 -0.446 25870 12059 1 18 . 1 1 746 746 GLU H H 746 8.721 8.721 8.488 0.233 25870 12060 1 18 . 1 1 747 747 GLN N N 747 120.463 120.463 120.546 -0.083 25870 12061 1 18 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.116 -0.350 25870 12062 1 18 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.809 -0.503 25870 12063 1 18 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.536 0.412 25870 12064 1 18 . 1 1 747 747 GLN H H 747 7.838 7.838 8.200 -0.362 25870 12065 1 18 . 1 1 748 748 MET N N 748 119.252 119.252 115.045 4.207 25870 12066 1 18 . 1 1 748 748 MET HA H 748 4.200 4.200 4.462 -0.262 25870 12067 1 18 . 1 1 748 748 MET CA C 748 58.096 58.096 59.174 -1.078 25870 12068 1 18 . 1 1 748 748 MET CB C 748 30.900 30.900 32.412 -1.512 25870 12069 1 18 . 1 1 748 748 MET H H 748 8.473 8.473 8.012 0.461 25870 12070 1 18 . 1 1 749 749 ASN N N 749 117.740 117.740 118.750 -1.010 25870 12071 1 18 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.512 -0.038 25870 12072 1 18 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.803 -0.008 25870 12073 1 18 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.682 -1.269 25870 12074 1 18 . 1 1 749 749 ASN H H 749 8.334 8.334 7.577 0.757 25870 12075 1 18 . 1 1 750 750 GLU N N 750 122.848 122.848 119.575 3.273 25870 12076 1 18 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.150 0.054 25870 12077 1 18 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.576 0.765 25870 12078 1 18 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.414 -0.230 25870 12079 1 18 . 1 1 750 750 GLU H H 750 7.838 7.838 8.457 -0.619 25870 12080 1 18 . 1 1 751 751 PHE N N 751 120.177 120.177 122.463 -2.286 25870 12081 1 18 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.364 0.657 25870 12082 1 18 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.618 -1.265 25870 12083 1 18 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.524 -1.727 25870 12084 1 18 . 1 1 751 751 PHE H H 751 8.785 8.785 8.599 0.186 25870 12085 1 18 . 1 1 752 752 ARG N N 752 120.528 120.528 120.064 0.464 25870 12086 1 18 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.982 0.178 25870 12087 1 18 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.323 1.381 25870 12088 1 18 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.729 1.239 25870 12089 1 18 . 1 1 752 752 ARG H H 752 9.016 9.016 8.024 0.992 25870 12090 1 18 . 1 1 753 753 ALA N N 753 121.112 121.112 122.340 -1.228 25870 12091 1 18 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.530 -0.285 25870 12092 1 18 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.385 0.946 25870 12093 1 18 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.847 -0.024 25870 12094 1 18 . 1 1 753 753 ALA H H 753 8.100 8.100 7.826 0.274 25870 12095 1 18 . 1 1 754 754 SER N N 754 115.589 115.589 115.237 0.352 25870 12096 1 18 . 1 1 754 754 SER HA H 754 4.452 4.452 4.228 0.224 25870 12097 1 18 . 1 1 754 754 SER CA C 754 62.675 62.675 59.878 2.797 25870 12098 1 18 . 1 1 754 754 SER CB C 754 63.359 63.359 62.629 0.730 25870 12099 1 18 . 1 1 754 754 SER H H 754 8.391 8.391 7.960 0.431 25870 12100 1 18 . 1 1 755 755 PHE N N 755 121.886 121.886 119.530 2.356 25870 12101 1 18 . 1 1 755 755 PHE HA H 755 3.642 3.642 4.112 -0.470 25870 12102 1 18 . 1 1 755 755 PHE CA C 755 61.964 61.964 59.040 2.924 25870 12103 1 18 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.562 1.260 25870 12104 1 18 . 1 1 755 755 PHE H H 755 8.675 8.675 7.818 0.857 25870 12105 1 18 . 1 1 756 756 ASN N N 756 113.618 113.618 114.435 -0.817 25870 12106 1 18 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.095 0.333 25870 12107 1 18 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.696 2.915 25870 12108 1 18 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.844 -1.006 25870 12109 1 18 . 1 1 756 756 ASN H H 756 8.593 8.593 7.565 1.028 25870 12110 1 18 . 1 1 757 757 HIS N N 757 119.679 119.679 120.859 -1.180 25870 12111 1 18 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.303 -0.224 25870 12112 1 18 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.930 0.414 25870 12113 1 18 . 1 1 757 757 HIS CB C 757 29.889 29.889 29.899 -0.010 25870 12114 1 18 . 1 1 757 757 HIS H H 757 8.139 8.139 7.406 0.733 25870 12115 1 18 . 1 1 758 758 PHE N N 758 113.051 113.051 116.007 -2.956 25870 12116 1 18 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.296 -0.235 25870 12117 1 18 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.386 2.311 25870 12118 1 18 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.516 -1.781 25870 12119 1 18 . 1 1 758 758 PHE H H 758 7.585 7.585 7.419 0.166 25870 12120 1 18 . 1 1 759 759 ASP N N 759 120.916 120.916 120.824 0.092 25870 12121 1 18 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.445 0.064 25870 12122 1 18 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.980 -2.809 25870 12123 1 18 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.346 -2.337 25870 12124 1 18 . 1 1 759 759 ASP H H 759 7.423 7.423 7.770 -0.347 25870 12125 1 18 . 1 1 760 760 ARG N N 760 124.819 124.819 127.453 -2.634 25870 12126 1 18 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.073 -0.305 25870 12127 1 18 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.579 -0.304 25870 12128 1 18 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.708 -0.459 25870 12129 1 18 . 1 1 760 760 ARG H H 760 7.781 7.781 8.285 -0.504 25870 12130 1 18 . 1 1 761 761 ASP N N 761 113.673 113.673 113.291 0.382 25870 12131 1 18 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.702 -0.219 25870 12132 1 18 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.240 -1.263 25870 12133 1 18 . 1 1 761 761 ASP CB C 761 39.522 39.522 40.950 -1.428 25870 12134 1 18 . 1 1 761 761 ASP H H 761 7.821 7.821 7.958 -0.137 25870 12135 1 18 . 1 1 762 762 HIS N N 762 114.966 114.966 117.343 -2.377 25870 12136 1 18 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.295 -0.134 25870 12137 1 18 . 1 1 762 762 HIS CA C 762 56.618 56.618 57.096 -0.478 25870 12138 1 18 . 1 1 762 762 HIS CB C 762 26.380 26.380 29.045 -2.665 25870 12139 1 18 . 1 1 762 762 HIS H H 762 7.744 7.744 7.938 -0.194 25870 12140 1 18 . 1 1 763 763 SER N N 763 115.077 115.077 114.084 0.993 25870 12141 1 18 . 1 1 763 763 SER HA H 763 4.336 4.336 4.432 -0.096 25870 12142 1 18 . 1 1 763 763 SER CA C 763 59.860 59.860 59.816 0.044 25870 12143 1 18 . 1 1 763 763 SER CB C 763 65.192 65.192 64.150 1.042 25870 12144 1 18 . 1 1 763 763 SER H H 763 8.726 8.726 8.684 0.042 25870 12145 1 18 . 1 1 764 764 GLY N N 764 116.915 116.915 110.399 6.516 25870 12146 1 18 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.635 -0.186 25870 12147 1 18 . 1 1 764 764 GLY H H 764 11.017 11.017 8.790 2.227 25870 12148 1 18 . 1 1 765 765 THR N N 765 107.334 107.334 111.145 -3.811 25870 12149 1 18 . 1 1 765 765 THR HA H 765 4.829 4.829 4.671 0.158 25870 12150 1 18 . 1 1 765 765 THR CA C 765 58.759 58.759 60.541 -1.782 25870 12151 1 18 . 1 1 765 765 THR CB C 765 73.383 73.383 71.964 1.419 25870 12152 1 18 . 1 1 765 765 THR H H 765 7.693 7.693 7.978 -0.285 25870 12153 1 18 . 1 1 766 766 LEU N N 766 124.664 124.664 123.430 1.234 25870 12154 1 18 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.742 0.158 25870 12155 1 18 . 1 1 766 766 LEU CA C 766 52.339 52.339 54.371 -2.032 25870 12156 1 18 . 1 1 766 766 LEU CB C 766 42.339 42.339 43.893 -1.554 25870 12157 1 18 . 1 1 766 766 LEU H H 766 9.209 9.209 8.724 0.485 25870 12158 1 18 . 1 1 767 767 GLY N N 767 112.024 112.024 109.728 2.296 25870 12159 1 18 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.703 0.420 25870 12160 1 18 . 1 1 767 767 GLY H H 767 8.910 8.910 8.909 0.001 25870 12161 1 18 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.500 -0.182 25870 12162 1 18 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.010 1.117 25870 12163 1 18 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.162 -0.133 25870 12164 1 18 . 1 1 769 769 GLU N N 769 115.246 115.246 117.270 -2.024 25870 12165 1 18 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.060 -0.089 25870 12166 1 18 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.833 0.788 25870 12167 1 18 . 1 1 769 769 GLU CB C 769 28.628 28.628 29.042 -0.414 25870 12168 1 18 . 1 1 769 769 GLU H H 769 8.622 8.622 8.977 -0.355 25870 12169 1 18 . 1 1 770 770 GLU N N 770 121.127 121.127 118.275 2.852 25870 12170 1 18 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.248 0.024 25870 12171 1 18 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.452 0.046 25870 12172 1 18 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.954 1.418 25870 12173 1 18 . 1 1 770 770 GLU H H 770 7.493 7.493 8.074 -0.581 25870 12174 1 18 . 1 1 771 771 PHE N N 771 117.688 117.688 122.441 -4.753 25870 12175 1 18 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.381 -0.026 25870 12176 1 18 . 1 1 771 771 PHE CA C 771 58.625 58.625 61.056 -2.430 25870 12177 1 18 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.381 -0.571 25870 12178 1 18 . 1 1 771 771 PHE H H 771 9.110 9.110 8.917 0.193 25870 12179 1 18 . 1 1 772 772 LYS N N 772 119.789 119.789 119.251 0.538 25870 12180 1 18 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.929 -0.616 25870 12181 1 18 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.239 2.433 25870 12182 1 18 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.791 1.188 25870 12183 1 18 . 1 1 772 772 LYS H H 772 8.594 8.594 8.171 0.423 25870 12184 1 18 . 1 1 773 773 ALA N N 773 118.461 118.461 120.836 -2.375 25870 12185 1 18 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.019 -0.138 25870 12186 1 18 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.996 1.017 25870 12187 1 18 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.971 -1.342 25870 12188 1 18 . 1 1 773 773 ALA H H 773 7.231 7.231 7.438 -0.207 25870 12189 1 18 . 1 1 774 774 CYS N N 774 120.913 120.913 118.531 2.382 25870 12190 1 18 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.763 -0.328 25870 12191 1 18 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.551 -0.377 25870 12192 1 18 . 1 1 774 774 CYS CB C 774 26.215 26.215 27.187 -0.972 25870 12193 1 18 . 1 1 774 774 CYS H H 774 7.498 7.498 7.605 -0.107 25870 12194 1 18 . 1 1 775 775 LEU N N 775 119.201 119.201 118.514 0.687 25870 12195 1 18 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.510 0.256 25870 12196 1 18 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.288 1.644 25870 12197 1 18 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.249 -0.299 25870 12198 1 18 . 1 1 775 775 LEU H H 775 8.372 8.372 7.810 0.562 25870 12199 1 18 . 1 1 776 776 ILE N N 776 121.051 121.051 118.257 2.794 25870 12200 1 18 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.211 1.879 25870 12201 1 18 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.055 1.189 25870 12202 1 18 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.097 0.894 25870 12203 1 18 . 1 1 776 776 ILE H H 776 8.358 8.358 6.626 1.732 25870 12204 1 18 . 1 1 777 777 SER N N 777 119.109 119.109 113.119 5.990 25870 12205 1 18 . 1 1 777 777 SER HA H 777 4.291 4.291 4.214 0.077 25870 12206 1 18 . 1 1 777 777 SER CA C 777 61.725 61.725 60.096 1.629 25870 12207 1 18 . 1 1 777 777 SER CB C 777 62.995 62.995 63.127 -0.132 25870 12208 1 18 . 1 1 777 777 SER H H 777 7.822 7.822 7.331 0.491 25870 12209 1 18 . 1 1 778 778 LEU N N 778 121.208 121.208 116.689 4.519 25870 12210 1 18 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.356 0.150 25870 12211 1 18 . 1 1 778 778 LEU CA C 778 54.999 54.999 54.047 0.952 25870 12212 1 18 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.496 0.174 25870 12213 1 18 . 1 1 778 778 LEU H H 778 7.671 7.671 7.024 0.647 25870 12214 1 18 . 1 1 779 779 GLY N N 779 106.232 106.232 106.784 -0.552 25870 12215 1 18 . 1 1 779 779 GLY CA C 779 45.287 45.287 44.810 0.477 25870 12216 1 18 . 1 1 779 779 GLY H H 779 7.897 7.897 7.269 0.628 25870 12217 1 18 . 1 1 780 780 TYR N N 780 120.772 120.772 119.046 1.726 25870 12218 1 18 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.584 -0.442 25870 12219 1 18 . 1 1 780 780 TYR CA C 780 59.231 59.231 54.487 4.744 25870 12220 1 18 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.657 -0.316 25870 12221 1 18 . 1 1 780 780 TYR H H 780 8.072 8.072 7.487 0.585 25870 12222 1 18 . 1 1 781 781 ASP N N 781 124.304 124.304 120.870 3.434 25870 12223 1 18 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.679 -0.014 25870 12224 1 18 . 1 1 781 781 ASP CA C 781 53.148 53.148 54.274 -1.126 25870 12225 1 18 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.733 -0.929 25870 12226 1 18 . 1 1 781 781 ASP H H 781 8.862 8.862 9.185 -0.323 25870 12227 1 18 . 1 1 782 782 ILE N N 782 122.271 122.271 111.646 10.625 25870 12228 1 18 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.468 -0.127 25870 12229 1 18 . 1 1 782 782 ILE CA C 782 58.992 58.992 58.459 0.533 25870 12230 1 18 . 1 1 782 782 ILE CB C 782 37.907 37.907 42.099 -4.192 25870 12231 1 18 . 1 1 782 782 ILE H H 782 7.344 7.344 6.839 0.505 25870 12232 1 18 . 1 1 783 783 GLY N N 783 112.322 112.322 106.485 5.837 25870 12233 1 18 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.403 0.120 25870 12234 1 18 . 1 1 783 783 GLY H H 783 8.122 8.122 8.236 -0.114 25870 12235 1 18 . 1 1 784 784 ASN N N 784 118.727 118.727 119.817 -1.090 25870 12236 1 18 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.818 0.064 25870 12237 1 18 . 1 1 784 784 ASN CA C 784 52.098 52.098 52.813 -0.715 25870 12238 1 18 . 1 1 784 784 ASN CB C 784 37.424 37.424 37.353 0.070 25870 12239 1 18 . 1 1 784 784 ASN H H 784 8.452 8.452 8.650 -0.198 25870 12240 1 18 . 1 1 785 785 ASP N N 785 119.826 119.826 120.481 -0.655 25870 12241 1 18 . 1 1 785 785 ASP HA H 785 4.778 4.778 5.065 -0.287 25870 12242 1 18 . 1 1 785 785 ASP CA C 785 52.164 52.164 51.429 0.735 25870 12243 1 18 . 1 1 785 785 ASP CB C 785 39.657 39.657 42.774 -3.117 25870 12244 1 18 . 1 1 785 785 ASP H H 785 8.145 8.145 7.730 0.415 25870 12245 1 18 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.321 -0.050 25870 12246 1 18 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.335 0.930 25870 12247 1 18 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.273 -0.262 25870 12248 1 18 . 1 1 787 787 GLN N N 787 118.097 118.097 118.165 -0.068 25870 12249 1 18 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.090 0.051 25870 12250 1 18 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.658 0.457 25870 12251 1 18 . 1 1 787 787 GLN CB C 787 27.732 27.732 27.982 -0.250 25870 12252 1 18 . 1 1 787 787 GLN H H 787 8.409 8.409 8.509 -0.100 25870 12253 1 18 . 1 1 788 788 GLY N N 788 113.421 113.421 108.076 5.345 25870 12254 1 18 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.665 0.652 25870 12255 1 18 . 1 1 788 788 GLY H H 788 8.644 8.644 8.363 0.281 25870 12256 1 18 . 1 1 789 789 GLU N N 789 121.223 121.223 121.458 -0.235 25870 12257 1 18 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.320 -0.172 25870 12258 1 18 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.364 -0.020 25870 12259 1 18 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.279 0.156 25870 12260 1 18 . 1 1 789 789 GLU H H 789 8.514 8.514 8.565 -0.051 25870 12261 1 18 . 1 1 790 790 ALA N N 790 122.879 122.879 122.233 0.646 25870 12262 1 18 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.173 0.074 25870 12263 1 18 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.121 -0.214 25870 12264 1 18 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.370 -0.591 25870 12265 1 18 . 1 1 790 790 ALA H H 790 8.024 8.024 7.531 0.493 25870 12266 1 18 . 1 1 791 791 GLU N N 791 122.622 122.622 118.810 3.812 25870 12267 1 18 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.113 0.574 25870 12268 1 18 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.592 -0.458 25870 12269 1 18 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.528 -0.467 25870 12270 1 18 . 1 1 791 791 GLU H H 791 8.280 8.280 7.641 0.639 25870 12271 1 18 . 1 1 792 792 PHE N N 792 119.949 119.949 120.961 -1.012 25870 12272 1 18 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.326 -0.288 25870 12273 1 18 . 1 1 792 792 PHE CA C 792 61.812 61.812 60.942 0.870 25870 12274 1 18 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.655 -0.057 25870 12275 1 18 . 1 1 792 792 PHE H H 792 8.722 8.722 8.652 0.070 25870 12276 1 18 . 1 1 793 793 ALA N N 793 119.652 119.652 121.753 -2.101 25870 12277 1 18 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.186 0.668 25870 12278 1 18 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.607 0.295 25870 12279 1 18 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.717 -0.089 25870 12280 1 18 . 1 1 793 793 ALA H H 793 8.163 8.163 8.061 0.102 25870 12281 1 18 . 1 1 794 794 ARG N N 794 121.092 121.092 118.979 2.113 25870 12282 1 18 . 1 1 794 794 ARG HA H 794 3.910 3.910 3.975 -0.065 25870 12283 1 18 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.108 0.363 25870 12284 1 18 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.211 -0.119 25870 12285 1 18 . 1 1 794 794 ARG H H 794 8.034 8.034 7.390 0.644 25870 12286 1 18 . 1 1 795 795 ILE N N 795 121.394 121.394 120.795 0.599 25870 12287 1 18 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.690 -0.302 25870 12288 1 18 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.366 0.482 25870 12289 1 18 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.221 -0.012 25870 12290 1 18 . 1 1 795 795 ILE H H 795 8.049 8.049 7.577 0.472 25870 12291 1 18 . 1 1 796 796 MET N N 796 119.012 119.012 118.386 0.626 25870 12292 1 18 . 1 1 796 796 MET HA H 796 4.155 4.155 3.675 0.479 25870 12293 1 18 . 1 1 796 796 MET CA C 796 56.470 56.470 58.249 -1.779 25870 12294 1 18 . 1 1 796 796 MET CB C 796 29.892 29.892 31.463 -1.571 25870 12295 1 18 . 1 1 796 796 MET H H 796 8.589 8.589 8.266 0.323 25870 12296 1 18 . 1 1 797 797 SER N N 797 114.132 114.132 112.031 2.101 25870 12297 1 18 . 1 1 797 797 SER HA H 797 4.097 4.097 4.297 -0.200 25870 12298 1 18 . 1 1 797 797 SER CA C 797 61.231 61.231 59.563 1.668 25870 12299 1 18 . 1 1 797 797 SER CB C 797 62.895 62.895 63.286 -0.391 25870 12300 1 18 . 1 1 797 797 SER H H 797 7.732 7.732 7.578 0.154 25870 12301 1 18 . 1 1 798 798 ILE N N 798 120.873 120.873 116.593 4.280 25870 12302 1 18 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.143 -0.325 25870 12303 1 18 . 1 1 798 798 ILE CA C 798 63.875 63.875 62.884 0.991 25870 12304 1 18 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.479 0.384 25870 12305 1 18 . 1 1 798 798 ILE H H 798 7.352 7.352 7.548 -0.196 25870 12306 1 18 . 1 1 799 799 VAL N N 799 110.552 110.552 112.527 -1.975 25870 12307 1 18 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.103 0.140 25870 12308 1 18 . 1 1 799 799 VAL CA C 799 62.616 62.616 61.227 1.389 25870 12309 1 18 . 1 1 799 799 VAL CB C 799 32.416 32.416 31.395 1.020 25870 12310 1 18 . 1 1 799 799 VAL H H 799 7.648 7.648 7.564 0.084 25870 12311 1 18 . 1 1 800 800 ASP N N 800 119.435 119.435 117.666 1.769 25870 12312 1 18 . 1 1 800 800 ASP HA H 800 5.225 5.225 4.946 0.279 25870 12313 1 18 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.216 1.499 25870 12314 1 18 . 1 1 800 800 ASP CB C 800 41.086 41.086 40.980 0.106 25870 12315 1 18 . 1 1 800 800 ASP H H 800 8.074 8.074 7.765 0.309 25870 12316 1 18 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.352 -0.021 25870 12317 1 18 . 1 1 801 801 PRO CA C 801 64.819 64.819 64.117 0.702 25870 12318 1 18 . 1 1 801 801 PRO CB C 801 31.689 31.689 31.848 -0.159 25870 12319 1 18 . 1 1 802 802 ASN N N 802 115.164 115.164 115.736 -0.572 25870 12320 1 18 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.697 0.063 25870 12321 1 18 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.910 0.088 25870 12322 1 18 . 1 1 802 802 ASN CB C 802 37.952 37.952 38.998 -1.046 25870 12323 1 18 . 1 1 802 802 ASN H H 802 8.949 8.949 8.157 0.792 25870 12324 1 18 . 1 1 803 803 ARG N N 803 117.446 117.446 115.955 1.491 25870 12325 1 18 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.280 -0.450 25870 12326 1 18 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.922 -0.034 25870 12327 1 18 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.346 -0.992 25870 12328 1 18 . 1 1 803 803 ARG H H 803 7.958 7.958 8.202 -0.244 25870 12329 1 18 . 1 1 804 804 LEU N N 804 123.307 123.307 116.777 6.530 25870 12330 1 18 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.655 -0.499 25870 12331 1 18 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.372 2.001 25870 12332 1 18 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.429 1.501 25870 12333 1 18 . 1 1 804 804 LEU H H 804 10.591 10.591 7.722 2.869 25870 12334 1 18 . 1 1 805 805 GLY N N 805 110.516 110.516 106.339 4.177 25870 12335 1 18 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.705 -0.761 25870 12336 1 18 . 1 1 805 805 GLY H H 805 11.001 11.001 8.330 2.671 25870 12337 1 18 . 1 1 806 806 VAL N N 806 109.840 109.840 115.288 -5.448 25870 12338 1 18 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.287 0.284 25870 12339 1 18 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.407 -0.841 25870 12340 1 18 . 1 1 806 806 VAL CB C 806 36.853 36.853 34.424 2.429 25870 12341 1 18 . 1 1 806 806 VAL H H 806 6.831 6.831 7.217 -0.386 25870 12342 1 18 . 1 1 807 807 VAL N N 807 122.184 122.184 121.578 0.606 25870 12343 1 18 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.175 -0.008 25870 12344 1 18 . 1 1 807 807 VAL CA C 807 61.644 61.644 61.403 0.241 25870 12345 1 18 . 1 1 807 807 VAL CB C 807 32.383 32.383 31.553 0.830 25870 12346 1 18 . 1 1 807 807 VAL H H 807 9.007 9.007 8.698 0.309 25870 12347 1 18 . 1 1 808 808 THR N N 808 117.391 117.391 117.024 0.367 25870 12348 1 18 . 1 1 808 808 THR HA H 808 4.593 4.593 4.589 0.004 25870 12349 1 18 . 1 1 808 808 THR CA C 808 60.615 60.615 58.901 1.714 25870 12350 1 18 . 1 1 808 808 THR CB C 808 70.695 70.695 71.455 -0.760 25870 12351 1 18 . 1 1 808 808 THR H H 808 7.925 7.925 7.710 0.215 25870 12352 1 18 . 1 1 809 809 PHE N N 809 122.236 122.236 118.607 3.629 25870 12353 1 18 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.473 -0.833 25870 12354 1 18 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.296 0.453 25870 12355 1 18 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.568 0.609 25870 12356 1 18 . 1 1 809 809 PHE H H 809 9.349 9.349 8.129 1.220 25870 12357 1 18 . 1 1 810 810 GLN N N 810 116.788 116.788 116.610 0.178 25870 12358 1 18 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.221 -0.623 25870 12359 1 18 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.785 0.797 25870 12360 1 18 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.637 -0.438 25870 12361 1 18 . 1 1 810 810 GLN H H 810 8.572 8.572 7.879 0.693 25870 12362 1 18 . 1 1 811 811 ALA N N 811 121.208 121.208 121.767 -0.559 25870 12363 1 18 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.279 -0.160 25870 12364 1 18 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.674 1.237 25870 12365 1 18 . 1 1 811 811 ALA CB C 811 19.265 19.265 19.248 0.017 25870 12366 1 18 . 1 1 811 811 ALA H H 811 7.667 7.667 7.631 0.036 25870 12367 1 18 . 1 1 812 812 PHE N N 812 119.805 119.805 118.971 0.834 25870 12368 1 18 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.491 -0.511 25870 12369 1 18 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.125 -0.385 25870 12370 1 18 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.636 1.034 25870 12371 1 18 . 1 1 812 812 PHE H H 812 8.400 8.400 8.408 -0.008 25870 12372 1 18 . 1 1 813 813 ILE N N 813 118.098 118.098 118.917 -0.819 25870 12373 1 18 . 1 1 813 813 ILE HA H 813 3.146 3.146 3.980 -0.834 25870 12374 1 18 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.852 0.447 25870 12375 1 18 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.387 -0.185 25870 12376 1 18 . 1 1 813 813 ILE H H 813 8.364 8.364 7.897 0.467 25870 12377 1 18 . 1 1 814 814 ASP N N 814 123.528 123.528 120.537 2.991 25870 12378 1 18 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.341 -0.145 25870 12379 1 18 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.827 -0.146 25870 12380 1 18 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.796 -0.560 25870 12381 1 18 . 1 1 814 814 ASP H H 814 8.221 8.221 7.935 0.286 25870 12382 1 18 . 1 1 815 815 PHE N N 815 120.584 120.584 120.285 0.299 25870 12383 1 18 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.382 -0.253 25870 12384 1 18 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.628 0.456 25870 12385 1 18 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.526 0.172 25870 12386 1 18 . 1 1 815 815 PHE H H 815 7.887 7.887 7.904 -0.017 25870 12387 1 18 . 1 1 816 816 MET N N 816 116.960 116.960 118.607 -1.647 25870 12388 1 18 . 1 1 816 816 MET HA H 816 3.782 3.782 4.063 -0.281 25870 12389 1 18 . 1 1 816 816 MET CA C 816 55.662 55.662 57.274 -1.612 25870 12390 1 18 . 1 1 816 816 MET CB C 816 30.033 30.033 31.691 -1.657 25870 12391 1 18 . 1 1 816 816 MET H H 816 8.372 8.372 8.035 0.337 25870 12392 1 18 . 1 1 817 817 SER N N 817 114.277 114.277 112.140 2.137 25870 12393 1 18 . 1 1 817 817 SER HA H 817 4.194 4.194 4.357 -0.163 25870 12394 1 18 . 1 1 817 817 SER CA C 817 60.521 60.521 60.309 0.212 25870 12395 1 18 . 1 1 817 817 SER CB C 817 63.185 63.185 63.465 -0.280 25870 12396 1 18 . 1 1 817 817 SER H H 817 8.074 8.074 8.414 -0.340 25870 12397 1 18 . 1 1 818 818 ARG N N 818 121.493 121.493 121.250 0.243 25870 12398 1 18 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.194 -0.070 25870 12399 1 18 . 1 1 818 818 ARG CA C 818 57.684 57.684 57.063 0.621 25870 12400 1 18 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.508 0.807 25870 12401 1 18 . 1 1 818 818 ARG H H 818 7.288 7.288 7.934 -0.646 25870 12402 1 18 . 1 1 819 819 GLU N N 819 119.737 119.737 118.426 1.311 25870 12403 1 18 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.107 -0.006 25870 12404 1 18 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.258 -1.192 25870 12405 1 18 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.109 1.382 25870 12406 1 18 . 1 1 819 819 GLU H H 819 8.045 8.045 7.592 0.453 25870 12407 1 18 . 1 1 820 820 THR N N 820 112.128 112.128 110.725 1.403 25870 12408 1 18 . 1 1 820 820 THR HA H 820 4.280 4.280 4.129 0.151 25870 12409 1 18 . 1 1 820 820 THR CA C 820 62.055 62.055 62.663 -0.608 25870 12410 1 18 . 1 1 820 820 THR CB C 820 69.828 69.828 68.957 0.871 25870 12411 1 18 . 1 1 820 820 THR H H 820 7.760 7.760 7.350 0.410 25870 12412 1 18 . 1 1 821 821 ALA N N 821 126.098 126.098 123.329 2.769 25870 12413 1 18 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.444 -0.160 25870 12414 1 18 . 1 1 821 821 ALA CA C 821 52.726 52.726 50.368 2.358 25870 12415 1 18 . 1 1 821 821 ALA CB C 821 19.304 19.304 20.913 -1.609 25870 12416 1 18 . 1 1 821 821 ALA H H 821 7.957 7.957 7.416 0.541 25870 12417 1 18 . 1 1 822 822 ASP N N 822 119.904 119.904 118.456 1.448 25870 12418 1 18 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.382 0.231 25870 12419 1 18 . 1 1 822 822 ASP CA C 822 54.335 54.335 53.217 1.119 25870 12420 1 18 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.766 -0.734 25870 12421 1 18 . 1 1 822 822 ASP H H 822 8.352 8.352 8.142 0.210 25870 12422 1 18 . 1 1 823 823 THR N N 823 114.142 114.142 114.750 -0.608 25870 12423 1 18 . 1 1 823 823 THR HA H 823 4.278 4.278 4.698 -0.420 25870 12424 1 18 . 1 1 823 823 THR CA C 823 62.117 62.117 60.811 1.306 25870 12425 1 18 . 1 1 823 823 THR CB C 823 69.584 69.584 72.358 -2.774 25870 12426 1 18 . 1 1 823 823 THR H H 823 8.079 8.079 8.184 -0.105 25870 12427 1 18 . 1 1 824 824 ASP N N 824 123.261 123.261 122.535 0.726 25870 12428 1 18 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.499 0.158 25870 12429 1 18 . 1 1 824 824 ASP CA C 824 54.786 54.786 57.637 -2.851 25870 12430 1 18 . 1 1 824 824 ASP CB C 824 41.085 41.085 40.599 0.486 25870 12431 1 18 . 1 1 824 824 ASP H H 824 8.431 8.431 9.048 -0.617 25870 12432 1 18 . 1 1 825 825 THR N N 825 114.932 114.932 110.738 4.194 25870 12433 1 18 . 1 1 825 825 THR HA H 825 4.161 4.161 4.369 -0.208 25870 12434 1 18 . 1 1 825 825 THR CA C 825 63.109 63.109 64.097 -0.987 25870 12435 1 18 . 1 1 825 825 THR CB C 825 69.455 69.455 68.918 0.537 25870 12436 1 18 . 1 1 825 825 THR H H 825 8.155 8.155 8.448 -0.293 25870 12437 1 18 . 1 1 826 826 ALA N N 826 124.961 124.961 124.254 0.707 25870 12438 1 18 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.149 0.011 25870 12439 1 18 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.341 0.051 25870 12440 1 18 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.446 0.164 25870 12441 1 18 . 1 1 826 826 ALA H H 826 8.379 8.379 7.663 0.716 25870 12442 1 18 . 1 1 827 827 ASP N N 827 117.765 117.765 118.165 -0.400 25870 12443 1 18 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.454 -0.029 25870 12444 1 18 . 1 1 827 827 ASP CA C 827 56.051 56.051 56.973 -0.922 25870 12445 1 18 . 1 1 827 827 ASP CB C 827 40.559 40.559 41.059 -0.500 25870 12446 1 18 . 1 1 827 827 ASP H H 827 8.250 8.250 7.840 0.410 25870 12447 1 18 . 1 1 828 828 GLN N N 828 120.523 120.523 118.256 2.267 25870 12448 1 18 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.126 -0.035 25870 12449 1 18 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.241 -0.427 25870 12450 1 18 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.695 -0.146 25870 12451 1 18 . 1 1 828 828 GLN H H 828 8.076 8.076 7.592 0.484 25870 12452 1 18 . 1 1 829 829 VAL N N 829 120.970 120.970 120.642 0.328 25870 12453 1 18 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.788 -0.263 25870 12454 1 18 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.661 0.533 25870 12455 1 18 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.332 0.209 25870 12456 1 18 . 1 1 829 829 VAL H H 829 8.051 8.051 7.326 0.725 25870 12457 1 18 . 1 1 830 830 MET N N 830 119.572 119.572 117.862 1.710 25870 12458 1 18 . 1 1 830 830 MET HA H 830 4.006 4.006 3.189 0.817 25870 12459 1 18 . 1 1 830 830 MET CA C 830 57.977 57.977 57.556 0.421 25870 12460 1 18 . 1 1 830 830 MET CB C 830 31.995 31.995 31.232 0.763 25870 12461 1 18 . 1 1 830 830 MET H H 830 8.110 8.110 7.595 0.515 25870 12462 1 18 . 1 1 831 831 ALA N N 831 121.059 121.059 122.340 -1.281 25870 12463 1 18 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.978 0.067 25870 12464 1 18 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.307 0.194 25870 12465 1 18 . 1 1 831 831 ALA CB C 831 18.067 18.067 18.019 0.048 25870 12466 1 18 . 1 1 831 831 ALA H H 831 7.836 7.836 7.426 0.410 25870 12467 1 18 . 1 1 832 832 SER N N 832 114.256 114.256 115.443 -1.187 25870 12468 1 18 . 1 1 832 832 SER HA H 832 4.141 4.141 4.059 0.082 25870 12469 1 18 . 1 1 832 832 SER CA C 832 60.845 60.845 61.068 -0.223 25870 12470 1 18 . 1 1 832 832 SER CB C 832 62.613 62.613 62.852 -0.239 25870 12471 1 18 . 1 1 832 832 SER H H 832 7.714 7.714 7.627 0.087 25870 12472 1 18 . 1 1 833 833 PHE N N 833 121.847 121.847 120.734 1.113 25870 12473 1 18 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.254 -0.431 25870 12474 1 18 . 1 1 833 833 PHE CA C 833 58.627 58.627 57.888 0.739 25870 12475 1 18 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.827 0.300 25870 12476 1 18 . 1 1 833 833 PHE H H 833 7.740 7.740 7.456 0.284 25870 12477 1 18 . 1 1 834 834 LYS N N 834 118.759 118.759 120.396 -1.637 25870 12478 1 18 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.410 0.179 25870 12479 1 18 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.379 1.005 25870 12480 1 18 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.738 0.405 25870 12481 1 18 . 1 1 834 834 LYS H H 834 7.843 7.843 7.728 0.115 25870 12482 1 18 . 1 1 835 835 ILE N N 835 118.537 118.537 119.573 -1.036 25870 12483 1 18 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.711 0.025 25870 12484 1 18 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.572 -0.858 25870 12485 1 18 . 1 1 835 835 ILE CB C 835 37.825 37.825 37.843 -0.018 25870 12486 1 18 . 1 1 835 835 ILE H H 835 7.315 7.315 7.164 0.151 25870 12487 1 18 . 1 1 836 836 LEU N N 836 121.201 121.201 118.916 2.285 25870 12488 1 18 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.928 0.027 25870 12489 1 18 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.296 -0.222 25870 12490 1 18 . 1 1 836 836 LEU CB C 836 42.415 42.415 41.989 0.426 25870 12491 1 18 . 1 1 836 836 LEU H H 836 7.625 7.625 7.753 -0.128 25870 12492 1 18 . 1 1 837 837 ALA N N 837 119.184 119.184 118.373 0.811 25870 12493 1 18 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.905 -0.010 25870 12494 1 18 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.881 -0.580 25870 12495 1 18 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.090 0.248 25870 12496 1 18 . 1 1 837 837 ALA H H 837 8.099 8.099 7.518 0.581 25870 12497 1 18 . 1 1 838 838 GLY N N 838 107.030 107.030 106.377 0.653 25870 12498 1 18 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.882 0.036 25870 12499 1 18 . 1 1 838 838 GLY H H 838 7.676 7.676 8.471 -0.795 25870 12500 1 18 . 1 1 839 839 ASP N N 839 122.291 122.291 124.678 -2.387 25870 12501 1 18 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.676 -0.199 25870 12502 1 18 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.864 0.647 25870 12503 1 18 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.671 -1.490 25870 12504 1 18 . 1 1 839 839 ASP H H 839 8.704 8.704 8.115 0.589 25870 12505 1 18 . 1 1 840 840 LYS N N 840 117.582 117.582 120.780 -3.198 25870 12506 1 18 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.445 -0.144 25870 12507 1 18 . 1 1 840 840 LYS CA C 840 55.780 55.780 56.112 -0.332 25870 12508 1 18 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.223 0.487 25870 12509 1 18 . 1 1 840 840 LYS H H 840 7.583 7.583 7.300 0.283 25870 12510 1 18 . 1 1 841 841 ASN N N 841 116.678 116.678 117.137 -0.459 25870 12511 1 18 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.626 -0.015 25870 12512 1 18 . 1 1 841 841 ASN CA C 841 53.466 53.466 54.469 -1.003 25870 12513 1 18 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.218 -0.063 25870 12514 1 18 . 1 1 841 841 ASN H H 841 8.693 8.693 9.088 -0.395 25870 12515 1 18 . 1 1 842 842 TYR N N 842 112.236 112.236 113.880 -1.644 25870 12516 1 18 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.761 0.225 25870 12517 1 18 . 1 1 842 842 TYR CA C 842 54.918 54.918 55.966 -1.048 25870 12518 1 18 . 1 1 842 842 TYR CB C 842 40.595 40.595 41.234 -0.639 25870 12519 1 18 . 1 1 842 842 TYR H H 842 6.637 6.637 7.073 -0.436 25870 12520 1 18 . 1 1 843 843 ILE N N 843 115.475 115.475 121.901 -6.426 25870 12521 1 18 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.519 0.274 25870 12522 1 18 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.403 0.554 25870 12523 1 18 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.835 0.174 25870 12524 1 18 . 1 1 843 843 ILE H H 843 8.630 8.630 9.306 -0.676 25870 12525 1 18 . 1 1 844 844 THR N N 844 117.169 117.169 118.918 -1.749 25870 12526 1 18 . 1 1 844 844 THR HA H 844 5.370 5.370 5.201 0.169 25870 12527 1 18 . 1 1 844 844 THR CA C 844 60.177 60.177 60.621 -0.444 25870 12528 1 18 . 1 1 844 844 THR CB C 844 71.088 71.088 70.632 0.456 25870 12529 1 18 . 1 1 844 844 THR H H 844 9.330 9.330 9.426 -0.096 25870 12530 1 18 . 1 1 845 845 MET N N 845 119.860 119.860 120.729 -0.869 25870 12531 1 18 . 1 1 845 845 MET HA H 845 3.824 3.824 3.943 -0.119 25870 12532 1 18 . 1 1 845 845 MET CA C 845 60.321 60.321 60.316 0.005 25870 12533 1 18 . 1 1 845 845 MET CB C 845 33.030 33.030 32.046 0.984 25870 12534 1 18 . 1 1 845 845 MET H H 845 8.556 8.556 8.656 -0.100 25870 12535 1 18 . 1 1 846 846 ASP N N 846 116.363 116.363 118.537 -2.174 25870 12536 1 18 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.388 -0.108 25870 12537 1 18 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.569 0.835 25870 12538 1 18 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.607 -0.023 25870 12539 1 18 . 1 1 846 846 ASP H H 846 8.377 8.377 8.585 -0.208 25870 12540 1 18 . 1 1 847 847 GLU N N 847 120.577 120.577 118.244 2.333 25870 12541 1 18 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.111 -0.257 25870 12542 1 18 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.790 0.867 25870 12543 1 18 . 1 1 847 847 GLU CB C 847 29.660 29.660 29.979 -0.319 25870 12544 1 18 . 1 1 847 847 GLU H H 847 7.855 7.855 7.648 0.207 25870 12545 1 18 . 1 1 848 848 LEU N N 848 118.714 118.714 120.261 -1.547 25870 12546 1 18 . 1 1 848 848 LEU HA H 848 3.822 3.822 3.881 -0.059 25870 12547 1 18 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.771 0.954 25870 12548 1 18 . 1 1 848 848 LEU CB C 848 42.457 42.457 41.704 0.753 25870 12549 1 18 . 1 1 848 848 LEU H H 848 7.849 7.849 7.483 0.366 25870 12550 1 18 . 1 1 849 849 ARG N N 849 113.972 113.972 115.636 -1.664 25870 12551 1 18 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.427 -0.503 25870 12552 1 18 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.375 1.220 25870 12553 1 18 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.522 0.578 25870 12554 1 18 . 1 1 849 849 ARG H H 849 8.053 8.053 7.896 0.157 25870 12555 1 18 . 1 1 850 850 ARG N N 850 118.178 118.178 118.831 -0.653 25870 12556 1 18 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.320 -0.127 25870 12557 1 18 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.944 0.301 25870 12558 1 18 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.148 -0.028 25870 12559 1 18 . 1 1 850 850 ARG H H 850 7.743 7.743 7.417 0.326 25870 12560 1 18 . 1 1 851 851 GLU N N 851 115.518 115.518 118.288 -2.770 25870 12561 1 18 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.390 -0.040 25870 12562 1 18 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.356 -0.470 25870 12563 1 18 . 1 1 851 851 GLU CB C 851 31.590 31.590 31.041 0.549 25870 12564 1 18 . 1 1 851 851 GLU H H 851 7.596 7.596 7.758 -0.162 25870 12565 1 18 . 1 1 852 852 LEU N N 852 119.148 119.148 122.500 -3.352 25870 12566 1 18 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.021 -0.127 25870 12567 1 18 . 1 1 852 852 LEU CA C 852 52.174 52.174 50.776 1.398 25870 12568 1 18 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.431 1.038 25870 12569 1 18 . 1 1 852 852 LEU H H 852 7.890 7.890 8.047 -0.157 25870 12570 1 18 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.541 -0.194 25870 12571 1 18 . 1 1 853 853 PRO CA C 853 65.119 65.119 63.758 1.361 25870 12572 1 18 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.630 1.001 25870 12573 1 18 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.494 -0.224 25870 12574 1 18 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.871 4.465 25870 12575 1 18 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.237 -0.981 25870 12576 1 18 . 1 1 855 855 ASP N N 855 114.865 114.865 119.022 -4.157 25870 12577 1 18 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.275 0.074 25870 12578 1 18 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.188 -0.275 25870 12579 1 18 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.692 -1.448 25870 12580 1 18 . 1 1 855 855 ASP H H 855 8.801 8.801 8.311 0.490 25870 12581 1 18 . 1 1 856 856 GLN N N 856 121.465 121.465 118.584 2.881 25870 12582 1 18 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.280 -0.081 25870 12583 1 18 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.553 -1.236 25870 12584 1 18 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.317 0.930 25870 12585 1 18 . 1 1 856 856 GLN H H 856 7.472 7.472 8.611 -1.139 25870 12586 1 18 . 1 1 857 857 ALA N N 857 122.805 122.805 122.003 0.802 25870 12587 1 18 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.939 -0.140 25870 12588 1 18 . 1 1 857 857 ALA CA C 857 56.303 56.303 55.807 0.496 25870 12589 1 18 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.280 -0.336 25870 12590 1 18 . 1 1 857 857 ALA H H 857 8.882 8.882 8.206 0.676 25870 12591 1 18 . 1 1 858 858 GLU N N 858 114.094 114.094 118.771 -4.677 25870 12592 1 18 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.025 -0.001 25870 12593 1 18 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.457 0.225 25870 12594 1 18 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.161 -0.522 25870 12595 1 18 . 1 1 858 858 GLU H H 858 8.155 8.155 7.708 0.447 25870 12596 1 18 . 1 1 859 859 TYR N N 859 120.665 120.665 122.411 -1.746 25870 12597 1 18 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.151 -0.067 25870 12598 1 18 . 1 1 859 859 TYR CA C 859 61.006 61.006 61.199 -0.193 25870 12599 1 18 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.031 0.656 25870 12600 1 18 . 1 1 859 859 TYR H H 859 7.708 7.708 8.576 -0.868 25870 12601 1 18 . 1 1 860 860 CYS N N 860 115.812 115.812 117.130 -1.318 25870 12602 1 18 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.407 0.751 25870 12603 1 18 . 1 1 860 860 CYS CA C 860 64.254 64.254 63.589 0.665 25870 12604 1 18 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.873 0.431 25870 12605 1 18 . 1 1 860 860 CYS H H 860 8.113 8.113 7.544 0.569 25870 12606 1 18 . 1 1 861 861 ILE N N 861 120.078 120.078 119.385 0.693 25870 12607 1 18 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.585 -0.246 25870 12608 1 18 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.194 0.449 25870 12609 1 18 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.908 0.806 25870 12610 1 18 . 1 1 861 861 ILE H H 861 8.453 8.453 7.768 0.685 25870 12611 1 18 . 1 1 862 862 ALA N N 862 116.691 116.691 121.129 -4.438 25870 12612 1 18 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.022 0.187 25870 12613 1 18 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.567 -1.345 25870 12614 1 18 . 1 1 862 862 ALA CB C 862 19.002 19.002 19.229 -0.227 25870 12615 1 18 . 1 1 862 862 ALA H H 862 7.307 7.307 8.135 -0.828 25870 12616 1 18 . 1 1 863 863 ARG N N 863 117.226 117.226 116.093 1.133 25870 12617 1 18 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.424 -0.150 25870 12618 1 18 . 1 1 863 863 ARG CA C 863 56.051 56.051 57.108 -1.058 25870 12619 1 18 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.592 0.797 25870 12620 1 18 . 1 1 863 863 ARG H H 863 7.358 7.358 7.594 -0.236 25870 12621 1 18 . 1 1 864 864 MET N N 864 117.583 117.583 118.440 -0.857 25870 12622 1 18 . 1 1 864 864 MET HA H 864 4.561 4.561 4.431 0.130 25870 12623 1 18 . 1 1 864 864 MET CA C 864 54.927 54.927 56.258 -1.331 25870 12624 1 18 . 1 1 864 864 MET CB C 864 37.418 37.418 33.935 3.482 25870 12625 1 18 . 1 1 864 864 MET H H 864 7.153 7.153 7.446 -0.293 25870 12626 1 18 . 1 1 865 865 ALA N N 865 124.643 124.643 127.196 -2.553 25870 12627 1 18 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.651 -0.785 25870 12628 1 18 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.996 -0.802 25870 12629 1 18 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.589 0.058 25870 12630 1 18 . 1 1 865 865 ALA H H 865 8.557 8.557 8.300 0.257 25870 12631 1 18 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.535 -0.039 25870 12632 1 18 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.783 -0.059 25870 12633 1 18 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.360 1.620 25870 12634 1 18 . 1 1 867 867 TYR N N 867 122.461 122.461 126.196 -3.735 25870 12635 1 18 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.433 0.295 25870 12636 1 18 . 1 1 867 867 TYR CA C 867 57.096 57.096 58.149 -1.053 25870 12637 1 18 . 1 1 867 867 TYR CB C 867 39.175 39.175 38.383 0.792 25870 12638 1 18 . 1 1 867 867 TYR H H 867 8.128 8.128 8.118 0.010 25870 12639 1 18 . 1 1 868 868 THR HA H 868 4.351 4.351 4.523 -0.172 25870 12640 1 18 . 1 1 868 868 THR CA C 868 60.271 60.271 60.070 0.201 25870 12641 1 18 . 1 1 868 868 THR CB C 868 68.737 68.737 70.874 -2.137 25870 12642 1 18 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.130 -0.216 25870 12643 1 18 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.453 -0.124 25870 12644 1 18 . 1 1 870 870 PRO CA C 870 64.697 64.697 64.187 0.510 25870 12645 1 18 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.240 -0.661 25870 12646 1 18 . 1 1 871 871 ASP N N 871 116.207 116.207 116.821 -0.614 25870 12647 1 18 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.666 -0.062 25870 12648 1 18 . 1 1 871 871 ASP CA C 871 52.749 52.749 54.701 -1.952 25870 12649 1 18 . 1 1 871 871 ASP CB C 871 38.929 38.929 41.104 -2.175 25870 12650 1 18 . 1 1 871 871 ASP H H 871 9.267 9.267 8.305 0.962 25870 12651 1 18 . 1 1 872 872 SER N N 872 112.349 112.349 114.262 -1.913 25870 12652 1 18 . 1 1 872 872 SER HA H 872 3.497 3.497 3.965 -0.468 25870 12653 1 18 . 1 1 872 872 SER CA C 872 59.065 59.065 58.620 0.445 25870 12654 1 18 . 1 1 872 872 SER CB C 872 63.125 63.125 64.408 -1.283 25870 12655 1 18 . 1 1 872 872 SER H H 872 7.487 7.487 7.585 -0.098 25870 12656 1 18 . 1 1 873 873 VAL N N 873 113.567 113.567 113.375 0.192 25870 12657 1 18 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.624 0.105 25870 12658 1 18 . 1 1 873 873 VAL CA C 873 58.044 58.044 57.537 0.507 25870 12659 1 18 . 1 1 873 873 VAL CB C 873 32.911 32.911 33.414 -0.503 25870 12660 1 18 . 1 1 873 873 VAL H H 873 6.411 6.411 7.835 -1.424 25870 12661 1 18 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.381 -0.085 25870 12662 1 18 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.954 0.381 25870 12663 1 18 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.488 0.027 25870 12664 1 18 . 1 1 875 875 GLY N N 875 112.118 112.118 110.387 1.731 25870 12665 1 18 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.925 0.631 25870 12666 1 18 . 1 1 875 875 GLY H H 875 8.800 8.800 8.571 0.229 25870 12667 1 18 . 1 1 876 876 ALA N N 876 120.262 120.262 122.543 -2.281 25870 12668 1 18 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.521 -1.421 25870 12669 1 18 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.510 2.563 25870 12670 1 18 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.602 -1.094 25870 12671 1 18 . 1 1 876 876 ALA H H 876 7.762 7.762 7.557 0.205 25870 12672 1 18 . 1 1 877 877 LEU N N 877 125.695 125.695 121.465 4.230 25870 12673 1 18 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.277 -0.501 25870 12674 1 18 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.682 0.587 25870 12675 1 18 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.110 -2.311 25870 12676 1 18 . 1 1 877 877 LEU H H 877 9.595 9.595 9.252 0.343 25870 12677 1 18 . 1 1 878 878 ASP N N 878 119.823 119.823 121.570 -1.747 25870 12678 1 18 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.367 0.512 25870 12679 1 18 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.615 -0.618 25870 12680 1 18 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.370 -0.589 25870 12681 1 18 . 1 1 878 878 ASP H H 878 9.031 9.031 8.042 0.989 25870 12682 1 18 . 1 1 879 879 TYR N N 879 126.556 126.556 120.944 5.612 25870 12683 1 18 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.359 0.232 25870 12684 1 18 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.783 -0.387 25870 12685 1 18 . 1 1 879 879 TYR CB C 879 37.321 37.321 38.154 -0.833 25870 12686 1 18 . 1 1 879 879 TYR H H 879 7.456 7.456 7.848 -0.392 25870 12687 1 18 . 1 1 880 880 MET N N 880 119.958 119.958 112.742 7.216 25870 12688 1 18 . 1 1 880 880 MET HA H 880 4.605 4.605 4.875 -0.270 25870 12689 1 18 . 1 1 880 880 MET CA C 880 56.044 56.044 56.536 -0.492 25870 12690 1 18 . 1 1 880 880 MET CB C 880 30.101 30.101 33.820 -3.719 25870 12691 1 18 . 1 1 880 880 MET H H 880 7.627 7.627 7.660 -0.033 25870 12692 1 18 . 1 1 881 881 SER N N 881 114.328 114.328 115.948 -1.620 25870 12693 1 18 . 1 1 881 881 SER HA H 881 4.471 4.471 4.606 -0.135 25870 12694 1 18 . 1 1 881 881 SER CA C 881 58.917 58.917 57.287 1.630 25870 12695 1 18 . 1 1 881 881 SER CB C 881 64.447 64.447 63.720 0.727 25870 12696 1 18 . 1 1 881 881 SER H H 881 7.726 7.726 8.014 -0.288 25870 12697 1 18 . 1 1 882 882 PHE N N 882 122.735 122.735 119.506 3.229 25870 12698 1 18 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.449 0.273 25870 12699 1 18 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.225 2.006 25870 12700 1 18 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.011 1.274 25870 12701 1 18 . 1 1 882 882 PHE H H 882 7.385 7.385 7.631 -0.246 25870 12702 1 18 . 1 1 883 883 SER N N 883 120.156 120.156 116.796 3.360 25870 12703 1 18 . 1 1 883 883 SER HA H 883 4.299 4.299 4.545 -0.246 25870 12704 1 18 . 1 1 883 883 SER CA C 883 57.280 57.280 57.277 0.003 25870 12705 1 18 . 1 1 883 883 SER CB C 883 64.601 64.601 63.650 0.951 25870 12706 1 18 . 1 1 883 883 SER H H 883 7.472 7.472 8.733 -1.261 25870 12707 1 18 . 1 1 884 884 THR N N 884 110.683 110.683 121.948 -11.265 25870 12708 1 18 . 1 1 884 884 THR HA H 884 3.966 3.966 4.275 -0.309 25870 12709 1 18 . 1 1 884 884 THR CA C 884 63.465 63.465 63.327 0.138 25870 12710 1 18 . 1 1 884 884 THR CB C 884 68.899 68.899 68.565 0.334 25870 12711 1 18 . 1 1 884 884 THR H H 884 7.996 7.996 8.151 -0.155 25870 12712 1 18 . 1 1 885 885 ALA N N 885 125.456 125.456 122.832 2.624 25870 12713 1 18 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.392 -0.156 25870 12714 1 18 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.582 0.448 25870 12715 1 18 . 1 1 885 885 ALA CB C 885 19.225 19.225 18.876 0.349 25870 12716 1 18 . 1 1 885 885 ALA H H 885 7.905 7.905 7.549 0.356 25870 12717 1 18 . 1 1 886 886 LEU N N 886 120.638 120.638 116.471 4.167 25870 12718 1 18 . 1 1 886 886 LEU HA H 886 4.002 4.002 3.845 0.157 25870 12719 1 18 . 1 1 886 886 LEU CA C 886 55.462 55.462 55.803 -0.341 25870 12720 1 18 . 1 1 886 886 LEU CB C 886 42.265 42.265 40.979 1.286 25870 12721 1 18 . 1 1 886 886 LEU H H 886 8.079 8.079 7.250 0.829 25870 12722 1 18 . 1 1 887 887 TYR N N 887 121.526 121.526 117.738 3.788 25870 12723 1 18 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.470 -0.114 25870 12724 1 18 . 1 1 887 887 TYR CA C 887 58.750 58.750 58.067 0.683 25870 12725 1 18 . 1 1 887 887 TYR CB C 887 38.569 38.569 38.148 0.422 25870 12726 1 18 . 1 1 887 887 TYR H H 887 8.267 8.267 7.897 0.370 25870 12727 1 18 . 1 1 888 888 GLY N N 888 112.379 112.379 108.386 3.993 25870 12728 1 18 . 1 1 888 888 GLY CA C 888 45.090 45.090 45.217 -0.127 25870 12729 1 18 . 1 1 888 888 GLY H H 888 8.087 8.087 7.966 0.121 25870 12730 1 18 . 1 1 889 889 GLU N N 889 120.255 120.255 119.110 1.145 25870 12731 1 18 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.236 0.020 25870 12732 1 18 . 1 1 889 889 GLU CA C 889 56.445 56.445 57.830 -1.385 25870 12733 1 18 . 1 1 889 889 GLU CB C 889 30.393 30.393 30.211 0.182 25870 12734 1 18 . 1 1 889 889 GLU H H 889 7.994 7.994 8.678 -0.684 25870 12735 1 18 . 1 1 890 890 SER N N 890 116.375 116.375 112.373 4.002 25870 12736 1 18 . 1 1 890 890 SER HA H 890 4.415 4.415 4.514 -0.099 25870 12737 1 18 . 1 1 890 890 SER CA C 890 58.204 58.204 57.653 0.551 25870 12738 1 18 . 1 1 890 890 SER CB C 890 63.913 63.913 65.320 -1.407 25870 12739 1 18 . 1 1 890 890 SER H H 890 8.329 8.329 7.596 0.733 25870 12740 1 18 . 1 1 891 891 ASP N N 891 123.017 123.017 120.246 2.771 25870 12741 1 18 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.517 0.093 25870 12742 1 18 . 1 1 891 891 ASP CA C 891 54.371 54.371 55.393 -1.022 25870 12743 1 18 . 1 1 891 891 ASP CB C 891 41.013 41.013 40.061 0.952 25870 12744 1 18 . 1 1 891 891 ASP H H 891 8.394 8.394 8.680 -0.286 25870 12745 1 19 . 1 1 742 742 SER HA H 742 4.525 4.525 4.741 -0.216 25870 12746 1 19 . 1 1 742 742 SER CA C 742 58.148 58.148 57.163 0.985 25870 12747 1 19 . 1 1 742 742 SER CB C 742 63.791 63.791 66.490 -2.699 25870 12748 1 19 . 1 1 743 743 ILE N N 743 122.172 122.172 123.418 -1.246 25870 12749 1 19 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.134 0.228 25870 12750 1 19 . 1 1 743 743 ILE CA C 743 60.421 60.421 62.215 -1.794 25870 12751 1 19 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.890 0.276 25870 12752 1 19 . 1 1 743 743 ILE H H 743 8.132 8.132 8.565 -0.433 25870 12753 1 19 . 1 1 744 744 SER N N 744 123.144 123.144 122.480 0.664 25870 12754 1 19 . 1 1 744 744 SER HA H 744 4.449 4.449 4.570 -0.121 25870 12755 1 19 . 1 1 744 744 SER CA C 744 57.463 57.463 57.411 0.052 25870 12756 1 19 . 1 1 744 744 SER CB C 744 65.219 65.219 64.770 0.449 25870 12757 1 19 . 1 1 744 744 SER H H 744 8.848 8.848 8.395 0.453 25870 12758 1 19 . 1 1 745 745 GLN N N 745 121.619 121.619 122.010 -0.391 25870 12759 1 19 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.139 -0.187 25870 12760 1 19 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.123 -0.355 25870 12761 1 19 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.817 -0.305 25870 12762 1 19 . 1 1 745 745 GLN H H 745 9.042 9.042 9.002 0.040 25870 12763 1 19 . 1 1 746 746 GLU N N 746 118.648 118.648 119.729 -1.081 25870 12764 1 19 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.134 -0.130 25870 12765 1 19 . 1 1 746 746 GLU CA C 746 60.223 60.223 59.593 0.630 25870 12766 1 19 . 1 1 746 746 GLU CB C 746 28.854 28.854 28.928 -0.074 25870 12767 1 19 . 1 1 746 746 GLU H H 746 8.721 8.721 7.795 0.926 25870 12768 1 19 . 1 1 747 747 GLN N N 747 120.463 120.463 119.624 0.839 25870 12769 1 19 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.385 -0.619 25870 12770 1 19 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.809 -0.503 25870 12771 1 19 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.134 0.813 25870 12772 1 19 . 1 1 747 747 GLN H H 747 7.838 7.838 8.544 -0.706 25870 12773 1 19 . 1 1 748 748 MET N N 748 119.252 119.252 115.399 3.853 25870 12774 1 19 . 1 1 748 748 MET HA H 748 4.200 4.200 4.464 -0.264 25870 12775 1 19 . 1 1 748 748 MET CA C 748 58.096 58.096 59.329 -1.233 25870 12776 1 19 . 1 1 748 748 MET CB C 748 30.900 30.900 32.394 -1.494 25870 12777 1 19 . 1 1 748 748 MET H H 748 8.473 8.473 8.075 0.398 25870 12778 1 19 . 1 1 749 749 ASN N N 749 117.740 117.740 118.042 -0.302 25870 12779 1 19 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.559 -0.085 25870 12780 1 19 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.496 0.299 25870 12781 1 19 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.608 -1.195 25870 12782 1 19 . 1 1 749 749 ASN H H 749 8.334 8.334 7.643 0.691 25870 12783 1 19 . 1 1 750 750 GLU N N 750 122.848 122.848 118.404 4.444 25870 12784 1 19 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.201 0.003 25870 12785 1 19 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.188 1.153 25870 12786 1 19 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.817 -0.633 25870 12787 1 19 . 1 1 750 750 GLU H H 750 7.838 7.838 8.480 -0.642 25870 12788 1 19 . 1 1 751 751 PHE N N 751 120.177 120.177 123.235 -3.058 25870 12789 1 19 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.341 0.680 25870 12790 1 19 . 1 1 751 751 PHE CA C 751 58.353 58.353 60.105 -1.752 25870 12791 1 19 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.402 -1.605 25870 12792 1 19 . 1 1 751 751 PHE H H 751 8.785 8.785 8.690 0.095 25870 12793 1 19 . 1 1 752 752 ARG N N 752 120.528 120.528 119.711 0.817 25870 12794 1 19 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.996 0.164 25870 12795 1 19 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.574 1.130 25870 12796 1 19 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.865 1.103 25870 12797 1 19 . 1 1 752 752 ARG H H 752 9.016 9.016 8.084 0.932 25870 12798 1 19 . 1 1 753 753 ALA N N 753 121.112 121.112 122.478 -1.366 25870 12799 1 19 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.513 -0.268 25870 12800 1 19 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.379 0.952 25870 12801 1 19 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.892 -0.069 25870 12802 1 19 . 1 1 753 753 ALA H H 753 8.100 8.100 7.975 0.125 25870 12803 1 19 . 1 1 754 754 SER N N 754 115.589 115.589 115.082 0.507 25870 12804 1 19 . 1 1 754 754 SER HA H 754 4.452 4.452 4.190 0.262 25870 12805 1 19 . 1 1 754 754 SER CA C 754 62.675 62.675 59.922 2.753 25870 12806 1 19 . 1 1 754 754 SER CB C 754 63.359 63.359 62.633 0.726 25870 12807 1 19 . 1 1 754 754 SER H H 754 8.391 8.391 7.919 0.472 25870 12808 1 19 . 1 1 755 755 PHE N N 755 121.886 121.886 118.900 2.986 25870 12809 1 19 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.853 -0.211 25870 12810 1 19 . 1 1 755 755 PHE CA C 755 61.964 61.964 59.137 2.827 25870 12811 1 19 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.687 1.135 25870 12812 1 19 . 1 1 755 755 PHE H H 755 8.675 8.675 7.580 1.095 25870 12813 1 19 . 1 1 756 756 ASN N N 756 113.618 113.618 113.392 0.226 25870 12814 1 19 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.332 0.095 25870 12815 1 19 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.496 3.115 25870 12816 1 19 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.456 -0.618 25870 12817 1 19 . 1 1 756 756 ASN H H 756 8.593 8.593 7.654 0.939 25870 12818 1 19 . 1 1 757 757 HIS N N 757 119.679 119.679 120.025 -0.346 25870 12819 1 19 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.233 -0.154 25870 12820 1 19 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.576 0.768 25870 12821 1 19 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.491 -0.602 25870 12822 1 19 . 1 1 757 757 HIS H H 757 8.139 8.139 7.567 0.572 25870 12823 1 19 . 1 1 758 758 PHE N N 758 113.051 113.051 116.435 -3.384 25870 12824 1 19 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.374 -0.313 25870 12825 1 19 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.214 2.483 25870 12826 1 19 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.334 -1.599 25870 12827 1 19 . 1 1 758 758 PHE H H 758 7.585 7.585 7.473 0.112 25870 12828 1 19 . 1 1 759 759 ASP N N 759 120.916 120.916 121.187 -0.271 25870 12829 1 19 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.435 0.074 25870 12830 1 19 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.924 -2.753 25870 12831 1 19 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.617 -2.608 25870 12832 1 19 . 1 1 759 759 ASP H H 759 7.423 7.423 8.021 -0.598 25870 12833 1 19 . 1 1 760 760 ARG N N 760 124.819 124.819 125.939 -1.120 25870 12834 1 19 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.062 -0.294 25870 12835 1 19 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.587 -0.312 25870 12836 1 19 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.583 -0.334 25870 12837 1 19 . 1 1 760 760 ARG H H 760 7.781 7.781 8.274 -0.493 25870 12838 1 19 . 1 1 761 761 ASP N N 761 113.673 113.673 113.831 -0.158 25870 12839 1 19 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.601 -0.118 25870 12840 1 19 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.210 -1.233 25870 12841 1 19 . 1 1 761 761 ASP CB C 761 39.522 39.522 41.326 -1.804 25870 12842 1 19 . 1 1 761 761 ASP H H 761 7.821 7.821 8.115 -0.294 25870 12843 1 19 . 1 1 762 762 HIS N N 762 114.966 114.966 113.539 1.427 25870 12844 1 19 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.287 -0.126 25870 12845 1 19 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.970 -0.352 25870 12846 1 19 . 1 1 762 762 HIS CB C 762 26.380 26.380 27.432 -1.052 25870 12847 1 19 . 1 1 762 762 HIS H H 762 7.744 7.744 7.845 -0.101 25870 12848 1 19 . 1 1 763 763 SER N N 763 115.077 115.077 115.832 -0.755 25870 12849 1 19 . 1 1 763 763 SER HA H 763 4.336 4.336 4.252 0.084 25870 12850 1 19 . 1 1 763 763 SER CA C 763 59.860 59.860 60.141 -0.281 25870 12851 1 19 . 1 1 763 763 SER CB C 763 65.192 65.192 63.964 1.228 25870 12852 1 19 . 1 1 763 763 SER H H 763 8.726 8.726 8.653 0.073 25870 12853 1 19 . 1 1 764 764 GLY N N 764 116.915 116.915 110.671 6.244 25870 12854 1 19 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.309 0.140 25870 12855 1 19 . 1 1 764 764 GLY H H 764 11.017 11.017 9.091 1.926 25870 12856 1 19 . 1 1 765 765 THR N N 765 107.334 107.334 110.248 -2.914 25870 12857 1 19 . 1 1 765 765 THR HA H 765 4.829 4.829 5.122 -0.293 25870 12858 1 19 . 1 1 765 765 THR CA C 765 58.759 58.759 60.027 -1.268 25870 12859 1 19 . 1 1 765 765 THR CB C 765 73.383 73.383 72.221 1.162 25870 12860 1 19 . 1 1 765 765 THR H H 765 7.693 7.693 7.837 -0.144 25870 12861 1 19 . 1 1 766 766 LEU N N 766 124.664 124.664 124.640 0.024 25870 12862 1 19 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.611 0.289 25870 12863 1 19 . 1 1 766 766 LEU CA C 766 52.339 52.339 54.004 -1.665 25870 12864 1 19 . 1 1 766 766 LEU CB C 766 42.339 42.339 42.421 -0.082 25870 12865 1 19 . 1 1 766 766 LEU H H 766 9.209 9.209 8.755 0.454 25870 12866 1 19 . 1 1 767 767 GLY N N 767 112.024 112.024 112.275 -0.251 25870 12867 1 19 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.815 0.308 25870 12868 1 19 . 1 1 767 767 GLY H H 767 8.910 8.910 8.838 0.072 25870 12869 1 19 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.551 -0.234 25870 12870 1 19 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.237 0.890 25870 12871 1 19 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.111 -0.082 25870 12872 1 19 . 1 1 769 769 GLU N N 769 115.246 115.246 118.843 -3.597 25870 12873 1 19 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.038 -0.067 25870 12874 1 19 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.989 0.631 25870 12875 1 19 . 1 1 769 769 GLU CB C 769 28.628 28.628 29.498 -0.870 25870 12876 1 19 . 1 1 769 769 GLU H H 769 8.622 8.622 9.004 -0.382 25870 12877 1 19 . 1 1 770 770 GLU N N 770 121.127 121.127 119.486 1.641 25870 12878 1 19 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.174 0.098 25870 12879 1 19 . 1 1 770 770 GLU CA C 770 58.497 58.497 59.016 -0.519 25870 12880 1 19 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.842 1.530 25870 12881 1 19 . 1 1 770 770 GLU H H 770 7.493 7.493 7.831 -0.338 25870 12882 1 19 . 1 1 771 771 PHE N N 771 117.688 117.688 122.103 -4.415 25870 12883 1 19 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.259 0.096 25870 12884 1 19 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.647 -2.022 25870 12885 1 19 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.438 -0.628 25870 12886 1 19 . 1 1 771 771 PHE H H 771 9.110 9.110 8.919 0.191 25870 12887 1 19 . 1 1 772 772 LYS N N 772 119.789 119.789 118.501 1.288 25870 12888 1 19 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.591 -0.278 25870 12889 1 19 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.376 2.296 25870 12890 1 19 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.759 1.220 25870 12891 1 19 . 1 1 772 772 LYS H H 772 8.594 8.594 8.093 0.501 25870 12892 1 19 . 1 1 773 773 ALA N N 773 118.461 118.461 120.474 -2.013 25870 12893 1 19 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.001 -0.120 25870 12894 1 19 . 1 1 773 773 ALA CA C 773 55.013 55.013 54.072 0.941 25870 12895 1 19 . 1 1 773 773 ALA CB C 773 17.629 17.629 19.084 -1.455 25870 12896 1 19 . 1 1 773 773 ALA H H 773 7.231 7.231 7.456 -0.225 25870 12897 1 19 . 1 1 774 774 CYS N N 774 120.913 120.913 118.387 2.526 25870 12898 1 19 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.887 -0.452 25870 12899 1 19 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.502 -0.328 25870 12900 1 19 . 1 1 774 774 CYS CB C 774 26.215 26.215 26.591 -0.376 25870 12901 1 19 . 1 1 774 774 CYS H H 774 7.498 7.498 7.438 0.060 25870 12902 1 19 . 1 1 775 775 LEU N N 775 119.201 119.201 118.541 0.660 25870 12903 1 19 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.544 0.222 25870 12904 1 19 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.224 1.708 25870 12905 1 19 . 1 1 775 775 LEU CB C 775 40.950 40.950 40.970 -0.020 25870 12906 1 19 . 1 1 775 775 LEU H H 775 8.372 8.372 7.515 0.857 25870 12907 1 19 . 1 1 776 776 ILE N N 776 121.051 121.051 118.388 2.663 25870 12908 1 19 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.364 1.726 25870 12909 1 19 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.036 1.208 25870 12910 1 19 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.239 0.752 25870 12911 1 19 . 1 1 776 776 ILE H H 776 8.358 8.358 6.685 1.673 25870 12912 1 19 . 1 1 777 777 SER N N 777 119.109 119.109 113.719 5.390 25870 12913 1 19 . 1 1 777 777 SER HA H 777 4.291 4.291 4.195 0.096 25870 12914 1 19 . 1 1 777 777 SER CA C 777 61.725 61.725 60.479 1.246 25870 12915 1 19 . 1 1 777 777 SER CB C 777 62.995 62.995 63.054 -0.059 25870 12916 1 19 . 1 1 777 777 SER H H 777 7.822 7.822 7.318 0.504 25870 12917 1 19 . 1 1 778 778 LEU N N 778 121.208 121.208 117.348 3.860 25870 12918 1 19 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.354 0.152 25870 12919 1 19 . 1 1 778 778 LEU CA C 778 54.999 54.999 54.012 0.987 25870 12920 1 19 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.306 0.364 25870 12921 1 19 . 1 1 778 778 LEU H H 778 7.671 7.671 7.014 0.657 25870 12922 1 19 . 1 1 779 779 GLY N N 779 106.232 106.232 106.423 -0.191 25870 12923 1 19 . 1 1 779 779 GLY CA C 779 45.287 45.287 44.942 0.345 25870 12924 1 19 . 1 1 779 779 GLY H H 779 7.897 7.897 7.261 0.636 25870 12925 1 19 . 1 1 780 780 TYR N N 780 120.772 120.772 119.261 1.511 25870 12926 1 19 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.588 -0.446 25870 12927 1 19 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.226 4.005 25870 12928 1 19 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.489 -0.148 25870 12929 1 19 . 1 1 780 780 TYR H H 780 8.072 8.072 7.429 0.643 25870 12930 1 19 . 1 1 781 781 ASP N N 781 124.304 124.304 117.672 6.632 25870 12931 1 19 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.710 -0.045 25870 12932 1 19 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.426 -0.278 25870 12933 1 19 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.414 -0.610 25870 12934 1 19 . 1 1 781 781 ASP H H 781 8.862 8.862 9.058 -0.196 25870 12935 1 19 . 1 1 782 782 ILE N N 782 122.271 122.271 113.093 9.178 25870 12936 1 19 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.438 -0.097 25870 12937 1 19 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.054 -0.062 25870 12938 1 19 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.440 -2.533 25870 12939 1 19 . 1 1 782 782 ILE H H 782 7.344 7.344 6.924 0.420 25870 12940 1 19 . 1 1 783 783 GLY N N 783 112.322 112.322 105.995 6.327 25870 12941 1 19 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.264 0.259 25870 12942 1 19 . 1 1 783 783 GLY H H 783 8.122 8.122 8.123 -0.001 25870 12943 1 19 . 1 1 784 784 ASN N N 784 118.727 118.727 116.836 1.891 25870 12944 1 19 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.666 0.216 25870 12945 1 19 . 1 1 784 784 ASN CA C 784 52.098 52.098 52.922 -0.825 25870 12946 1 19 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.973 -1.549 25870 12947 1 19 . 1 1 784 784 ASN H H 784 8.452 8.452 8.700 -0.248 25870 12948 1 19 . 1 1 785 785 ASP N N 785 119.826 119.826 118.932 0.894 25870 12949 1 19 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.586 0.192 25870 12950 1 19 . 1 1 785 785 ASP CA C 785 52.164 52.164 53.441 -1.277 25870 12951 1 19 . 1 1 785 785 ASP CB C 785 39.657 39.657 40.844 -1.187 25870 12952 1 19 . 1 1 785 785 ASP H H 785 8.145 8.145 7.793 0.352 25870 12953 1 19 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.255 0.016 25870 12954 1 19 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.400 0.865 25870 12955 1 19 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.174 -0.163 25870 12956 1 19 . 1 1 787 787 GLN N N 787 118.097 118.097 118.651 -0.554 25870 12957 1 19 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.110 0.031 25870 12958 1 19 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.833 0.282 25870 12959 1 19 . 1 1 787 787 GLN CB C 787 27.732 27.732 27.228 0.504 25870 12960 1 19 . 1 1 787 787 GLN H H 787 8.409 8.409 8.504 -0.095 25870 12961 1 19 . 1 1 788 788 GLY N N 788 113.421 113.421 107.977 5.444 25870 12962 1 19 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.678 0.639 25870 12963 1 19 . 1 1 788 788 GLY H H 788 8.644 8.644 8.414 0.230 25870 12964 1 19 . 1 1 789 789 GLU N N 789 121.223 121.223 121.392 -0.169 25870 12965 1 19 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.298 -0.150 25870 12966 1 19 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.456 -0.112 25870 12967 1 19 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.416 0.019 25870 12968 1 19 . 1 1 789 789 GLU H H 789 8.514 8.514 8.771 -0.257 25870 12969 1 19 . 1 1 790 790 ALA N N 790 122.879 122.879 122.529 0.350 25870 12970 1 19 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.183 0.065 25870 12971 1 19 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.158 -0.251 25870 12972 1 19 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.382 -0.602 25870 12973 1 19 . 1 1 790 790 ALA H H 790 8.024 8.024 7.556 0.468 25870 12974 1 19 . 1 1 791 791 GLU N N 791 122.622 122.622 119.011 3.611 25870 12975 1 19 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.109 0.578 25870 12976 1 19 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.584 -0.451 25870 12977 1 19 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.480 -0.419 25870 12978 1 19 . 1 1 791 791 GLU H H 791 8.280 8.280 7.768 0.512 25870 12979 1 19 . 1 1 792 792 PHE N N 792 119.949 119.949 121.431 -1.482 25870 12980 1 19 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.215 -0.177 25870 12981 1 19 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.063 0.749 25870 12982 1 19 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.476 0.122 25870 12983 1 19 . 1 1 792 792 PHE H H 792 8.722 8.722 8.751 -0.029 25870 12984 1 19 . 1 1 793 793 ALA N N 793 119.652 119.652 121.520 -1.868 25870 12985 1 19 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.258 0.596 25870 12986 1 19 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.460 0.442 25870 12987 1 19 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.801 -0.173 25870 12988 1 19 . 1 1 793 793 ALA H H 793 8.163 8.163 7.862 0.301 25870 12989 1 19 . 1 1 794 794 ARG N N 794 121.092 121.092 119.338 1.754 25870 12990 1 19 . 1 1 794 794 ARG HA H 794 3.910 3.910 3.998 -0.088 25870 12991 1 19 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.139 0.332 25870 12992 1 19 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.075 0.017 25870 12993 1 19 . 1 1 794 794 ARG H H 794 8.034 8.034 7.653 0.381 25870 12994 1 19 . 1 1 795 795 ILE N N 795 121.394 121.394 120.645 0.749 25870 12995 1 19 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.756 -0.368 25870 12996 1 19 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.166 0.682 25870 12997 1 19 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.260 -0.051 25870 12998 1 19 . 1 1 795 795 ILE H H 795 8.049 8.049 7.907 0.142 25870 12999 1 19 . 1 1 796 796 MET N N 796 119.012 119.012 118.759 0.253 25870 13000 1 19 . 1 1 796 796 MET HA H 796 4.155 4.155 3.975 0.180 25870 13001 1 19 . 1 1 796 796 MET CA C 796 56.470 56.470 58.173 -1.703 25870 13002 1 19 . 1 1 796 796 MET CB C 796 29.892 29.892 31.465 -1.573 25870 13003 1 19 . 1 1 796 796 MET H H 796 8.589 8.589 8.235 0.354 25870 13004 1 19 . 1 1 797 797 SER N N 797 114.132 114.132 112.906 1.226 25870 13005 1 19 . 1 1 797 797 SER HA H 797 4.097 4.097 4.266 -0.169 25870 13006 1 19 . 1 1 797 797 SER CA C 797 61.231 61.231 60.034 1.197 25870 13007 1 19 . 1 1 797 797 SER CB C 797 62.895 62.895 63.370 -0.475 25870 13008 1 19 . 1 1 797 797 SER H H 797 7.732 7.732 7.509 0.223 25870 13009 1 19 . 1 1 798 798 ILE N N 798 120.873 120.873 117.638 3.235 25870 13010 1 19 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.101 -0.283 25870 13011 1 19 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.259 0.616 25870 13012 1 19 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.582 0.281 25870 13013 1 19 . 1 1 798 798 ILE H H 798 7.352 7.352 7.670 -0.318 25870 13014 1 19 . 1 1 799 799 VAL N N 799 110.552 110.552 112.354 -1.802 25870 13015 1 19 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.043 0.200 25870 13016 1 19 . 1 1 799 799 VAL CA C 799 62.616 62.616 61.074 1.542 25870 13017 1 19 . 1 1 799 799 VAL CB C 799 32.416 32.416 31.170 1.246 25870 13018 1 19 . 1 1 799 799 VAL H H 799 7.648 7.648 7.780 -0.132 25870 13019 1 19 . 1 1 800 800 ASP N N 800 119.435 119.435 119.830 -0.395 25870 13020 1 19 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.089 0.136 25870 13021 1 19 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.068 1.647 25870 13022 1 19 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.468 -0.382 25870 13023 1 19 . 1 1 800 800 ASP H H 800 8.074 8.074 7.369 0.705 25870 13024 1 19 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.420 -0.089 25870 13025 1 19 . 1 1 801 801 PRO CA C 801 64.819 64.819 64.034 0.785 25870 13026 1 19 . 1 1 801 801 PRO CB C 801 31.689 31.689 31.937 -0.248 25870 13027 1 19 . 1 1 802 802 ASN N N 802 115.164 115.164 116.028 -0.864 25870 13028 1 19 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.728 0.032 25870 13029 1 19 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.990 0.007 25870 13030 1 19 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.759 -1.807 25870 13031 1 19 . 1 1 802 802 ASN H H 802 8.949 8.949 7.659 1.290 25870 13032 1 19 . 1 1 803 803 ARG N N 803 117.446 117.446 116.109 1.337 25870 13033 1 19 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.061 -0.231 25870 13034 1 19 . 1 1 803 803 ARG CA C 803 56.888 56.888 57.132 -0.244 25870 13035 1 19 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.210 -0.856 25870 13036 1 19 . 1 1 803 803 ARG H H 803 7.958 7.958 7.995 -0.037 25870 13037 1 19 . 1 1 804 804 LEU N N 804 123.307 123.307 114.992 8.315 25870 13038 1 19 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.700 -0.544 25870 13039 1 19 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.663 1.710 25870 13040 1 19 . 1 1 804 804 LEU CB C 804 42.930 42.930 42.118 0.812 25870 13041 1 19 . 1 1 804 804 LEU H H 804 10.591 10.591 8.306 2.285 25870 13042 1 19 . 1 1 805 805 GLY N N 805 110.516 110.516 107.837 2.679 25870 13043 1 19 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.792 -0.848 25870 13044 1 19 . 1 1 805 805 GLY H H 805 11.001 11.001 8.859 2.142 25870 13045 1 19 . 1 1 806 806 VAL N N 806 109.840 109.840 115.567 -5.727 25870 13046 1 19 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.371 0.200 25870 13047 1 19 . 1 1 806 806 VAL CA C 806 58.566 58.566 60.351 -1.785 25870 13048 1 19 . 1 1 806 806 VAL CB C 806 36.853 36.853 35.065 1.788 25870 13049 1 19 . 1 1 806 806 VAL H H 806 6.831 6.831 7.090 -0.259 25870 13050 1 19 . 1 1 807 807 VAL N N 807 122.184 122.184 122.684 -0.500 25870 13051 1 19 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.303 -0.136 25870 13052 1 19 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.465 1.179 25870 13053 1 19 . 1 1 807 807 VAL CB C 807 32.383 32.383 32.300 0.083 25870 13054 1 19 . 1 1 807 807 VAL H H 807 9.007 9.007 8.842 0.165 25870 13055 1 19 . 1 1 808 808 THR N N 808 117.391 117.391 118.420 -1.029 25870 13056 1 19 . 1 1 808 808 THR HA H 808 4.593 4.593 4.595 -0.002 25870 13057 1 19 . 1 1 808 808 THR CA C 808 60.615 60.615 58.944 1.671 25870 13058 1 19 . 1 1 808 808 THR CB C 808 70.695 70.695 71.312 -0.617 25870 13059 1 19 . 1 1 808 808 THR H H 808 7.925 7.925 7.804 0.121 25870 13060 1 19 . 1 1 809 809 PHE N N 809 122.236 122.236 119.120 3.116 25870 13061 1 19 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.479 -0.839 25870 13062 1 19 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.358 0.391 25870 13063 1 19 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.486 0.691 25870 13064 1 19 . 1 1 809 809 PHE H H 809 9.349 9.349 8.099 1.250 25870 13065 1 19 . 1 1 810 810 GLN N N 810 116.788 116.788 117.139 -0.351 25870 13066 1 19 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.210 -0.612 25870 13067 1 19 . 1 1 810 810 GLN CA C 810 58.582 58.582 58.064 0.518 25870 13068 1 19 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.481 -0.282 25870 13069 1 19 . 1 1 810 810 GLN H H 810 8.572 8.572 7.934 0.638 25870 13070 1 19 . 1 1 811 811 ALA N N 811 121.208 121.208 122.137 -0.929 25870 13071 1 19 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.183 -0.064 25870 13072 1 19 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.824 1.087 25870 13073 1 19 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.725 0.540 25870 13074 1 19 . 1 1 811 811 ALA H H 811 7.667 7.667 7.676 -0.009 25870 13075 1 19 . 1 1 812 812 PHE N N 812 119.805 119.805 118.765 1.040 25870 13076 1 19 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.415 -0.435 25870 13077 1 19 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.080 -0.339 25870 13078 1 19 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.786 0.884 25870 13079 1 19 . 1 1 812 812 PHE H H 812 8.400 8.400 8.333 0.067 25870 13080 1 19 . 1 1 813 813 ILE N N 813 118.098 118.098 118.488 -0.390 25870 13081 1 19 . 1 1 813 813 ILE HA H 813 3.146 3.146 3.976 -0.830 25870 13082 1 19 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.632 0.667 25870 13083 1 19 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.303 -0.101 25870 13084 1 19 . 1 1 813 813 ILE H H 813 8.364 8.364 7.872 0.492 25870 13085 1 19 . 1 1 814 814 ASP N N 814 123.528 123.528 120.729 2.799 25870 13086 1 19 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.315 -0.119 25870 13087 1 19 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.890 -0.210 25870 13088 1 19 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.814 -0.578 25870 13089 1 19 . 1 1 814 814 ASP H H 814 8.221 8.221 7.882 0.339 25870 13090 1 19 . 1 1 815 815 PHE N N 815 120.584 120.584 120.202 0.382 25870 13091 1 19 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.415 -0.286 25870 13092 1 19 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.551 0.533 25870 13093 1 19 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.593 0.105 25870 13094 1 19 . 1 1 815 815 PHE H H 815 7.887 7.887 7.853 0.034 25870 13095 1 19 . 1 1 816 816 MET N N 816 116.960 116.960 118.178 -1.218 25870 13096 1 19 . 1 1 816 816 MET HA H 816 3.782 3.782 4.056 -0.274 25870 13097 1 19 . 1 1 816 816 MET CA C 816 55.662 55.662 57.112 -1.450 25870 13098 1 19 . 1 1 816 816 MET CB C 816 30.033 30.033 31.642 -1.609 25870 13099 1 19 . 1 1 816 816 MET H H 816 8.372 8.372 8.039 0.333 25870 13100 1 19 . 1 1 817 817 SER N N 817 114.277 114.277 112.220 2.057 25870 13101 1 19 . 1 1 817 817 SER HA H 817 4.194 4.194 4.386 -0.192 25870 13102 1 19 . 1 1 817 817 SER CA C 817 60.521 60.521 59.806 0.715 25870 13103 1 19 . 1 1 817 817 SER CB C 817 63.185 63.185 63.535 -0.350 25870 13104 1 19 . 1 1 817 817 SER H H 817 8.074 8.074 8.208 -0.134 25870 13105 1 19 . 1 1 818 818 ARG N N 818 121.493 121.493 121.389 0.104 25870 13106 1 19 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.071 0.053 25870 13107 1 19 . 1 1 818 818 ARG CA C 818 57.684 57.684 58.654 -0.970 25870 13108 1 19 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.587 0.728 25870 13109 1 19 . 1 1 818 818 ARG H H 818 7.288 7.288 7.936 -0.648 25870 13110 1 19 . 1 1 819 819 GLU N N 819 119.737 119.737 118.789 0.948 25870 13111 1 19 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.089 0.012 25870 13112 1 19 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.834 -1.768 25870 13113 1 19 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.197 1.294 25870 13114 1 19 . 1 1 819 819 GLU H H 819 8.045 8.045 7.693 0.352 25870 13115 1 19 . 1 1 820 820 THR N N 820 112.128 112.128 108.185 3.943 25870 13116 1 19 . 1 1 820 820 THR HA H 820 4.280 4.280 3.757 0.523 25870 13117 1 19 . 1 1 820 820 THR CA C 820 62.055 62.055 62.516 -0.461 25870 13118 1 19 . 1 1 820 820 THR CB C 820 69.828 69.828 68.927 0.901 25870 13119 1 19 . 1 1 820 820 THR H H 820 7.760 7.760 7.324 0.436 25870 13120 1 19 . 1 1 821 821 ALA N N 821 126.098 126.098 122.950 3.148 25870 13121 1 19 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.397 -0.113 25870 13122 1 19 . 1 1 821 821 ALA CA C 821 52.726 52.726 51.000 1.726 25870 13123 1 19 . 1 1 821 821 ALA CB C 821 19.304 19.304 20.425 -1.121 25870 13124 1 19 . 1 1 821 821 ALA H H 821 7.957 7.957 7.356 0.601 25870 13125 1 19 . 1 1 822 822 ASP N N 822 119.904 119.904 120.234 -0.330 25870 13126 1 19 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.639 -0.026 25870 13127 1 19 . 1 1 822 822 ASP CA C 822 54.335 54.335 54.910 -0.575 25870 13128 1 19 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.421 -0.389 25870 13129 1 19 . 1 1 822 822 ASP H H 822 8.352 8.352 8.411 -0.059 25870 13130 1 19 . 1 1 823 823 THR N N 823 114.142 114.142 117.193 -3.051 25870 13131 1 19 . 1 1 823 823 THR HA H 823 4.278 4.278 4.596 -0.318 25870 13132 1 19 . 1 1 823 823 THR CA C 823 62.117 62.117 60.537 1.580 25870 13133 1 19 . 1 1 823 823 THR CB C 823 69.584 69.584 71.246 -1.662 25870 13134 1 19 . 1 1 823 823 THR H H 823 8.079 8.079 7.848 0.231 25870 13135 1 19 . 1 1 824 824 ASP N N 824 123.261 123.261 121.373 1.888 25870 13136 1 19 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.536 0.121 25870 13137 1 19 . 1 1 824 824 ASP CA C 824 54.786 54.786 56.588 -1.802 25870 13138 1 19 . 1 1 824 824 ASP CB C 824 41.085 41.085 41.279 -0.194 25870 13139 1 19 . 1 1 824 824 ASP H H 824 8.431 8.431 8.788 -0.357 25870 13140 1 19 . 1 1 825 825 THR N N 825 114.932 114.932 112.953 1.979 25870 13141 1 19 . 1 1 825 825 THR HA H 825 4.161 4.161 4.123 0.038 25870 13142 1 19 . 1 1 825 825 THR CA C 825 63.109 63.109 65.038 -1.929 25870 13143 1 19 . 1 1 825 825 THR CB C 825 69.455 69.455 68.662 0.793 25870 13144 1 19 . 1 1 825 825 THR H H 825 8.155 8.155 8.607 -0.452 25870 13145 1 19 . 1 1 826 826 ALA N N 826 124.961 124.961 124.833 0.128 25870 13146 1 19 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.021 0.139 25870 13147 1 19 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.339 0.053 25870 13148 1 19 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.036 0.574 25870 13149 1 19 . 1 1 826 826 ALA H H 826 8.379 8.379 8.174 0.205 25870 13150 1 19 . 1 1 827 827 ASP N N 827 117.765 117.765 117.671 0.094 25870 13151 1 19 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.333 0.092 25870 13152 1 19 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.003 -0.952 25870 13153 1 19 . 1 1 827 827 ASP CB C 827 40.559 40.559 41.037 -0.478 25870 13154 1 19 . 1 1 827 827 ASP H H 827 8.250 8.250 7.797 0.453 25870 13155 1 19 . 1 1 828 828 GLN N N 828 120.523 120.523 117.931 2.592 25870 13156 1 19 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.124 -0.033 25870 13157 1 19 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.025 -0.211 25870 13158 1 19 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.993 -0.444 25870 13159 1 19 . 1 1 828 828 GLN H H 828 8.076 8.076 7.794 0.282 25870 13160 1 19 . 1 1 829 829 VAL N N 829 120.970 120.970 118.763 2.207 25870 13161 1 19 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.905 -0.380 25870 13162 1 19 . 1 1 829 829 VAL CA C 829 65.194 65.194 63.939 1.255 25870 13163 1 19 . 1 1 829 829 VAL CB C 829 31.541 31.541 32.380 -0.839 25870 13164 1 19 . 1 1 829 829 VAL H H 829 8.051 8.051 7.371 0.680 25870 13165 1 19 . 1 1 830 830 MET N N 830 119.572 119.572 118.119 1.453 25870 13166 1 19 . 1 1 830 830 MET HA H 830 4.006 4.006 3.675 0.331 25870 13167 1 19 . 1 1 830 830 MET CA C 830 57.977 57.977 56.860 1.117 25870 13168 1 19 . 1 1 830 830 MET CB C 830 31.995 31.995 30.682 1.313 25870 13169 1 19 . 1 1 830 830 MET H H 830 8.110 8.110 8.213 -0.103 25870 13170 1 19 . 1 1 831 831 ALA N N 831 121.059 121.059 122.724 -1.665 25870 13171 1 19 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.913 0.132 25870 13172 1 19 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.043 0.458 25870 13173 1 19 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.661 0.406 25870 13174 1 19 . 1 1 831 831 ALA H H 831 7.836 7.836 7.956 -0.120 25870 13175 1 19 . 1 1 832 832 SER N N 832 114.256 114.256 115.662 -1.406 25870 13176 1 19 . 1 1 832 832 SER HA H 832 4.141 4.141 4.016 0.125 25870 13177 1 19 . 1 1 832 832 SER CA C 832 60.845 60.845 61.063 -0.218 25870 13178 1 19 . 1 1 832 832 SER CB C 832 62.613 62.613 62.817 -0.204 25870 13179 1 19 . 1 1 832 832 SER H H 832 7.714 7.714 7.656 0.058 25870 13180 1 19 . 1 1 833 833 PHE N N 833 121.847 121.847 120.893 0.954 25870 13181 1 19 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.181 -0.358 25870 13182 1 19 . 1 1 833 833 PHE CA C 833 58.627 58.627 58.516 0.111 25870 13183 1 19 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.620 0.507 25870 13184 1 19 . 1 1 833 833 PHE H H 833 7.740 7.740 7.490 0.250 25870 13185 1 19 . 1 1 834 834 LYS N N 834 118.759 118.759 119.926 -1.167 25870 13186 1 19 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.522 0.067 25870 13187 1 19 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.332 1.052 25870 13188 1 19 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.806 0.337 25870 13189 1 19 . 1 1 834 834 LYS H H 834 7.843 7.843 7.800 0.043 25870 13190 1 19 . 1 1 835 835 ILE N N 835 118.537 118.537 119.819 -1.282 25870 13191 1 19 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.771 -0.035 25870 13192 1 19 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.480 -0.766 25870 13193 1 19 . 1 1 835 835 ILE CB C 835 37.825 37.825 38.016 -0.191 25870 13194 1 19 . 1 1 835 835 ILE H H 835 7.315 7.315 7.266 0.049 25870 13195 1 19 . 1 1 836 836 LEU N N 836 121.201 121.201 119.903 1.298 25870 13196 1 19 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.820 0.135 25870 13197 1 19 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.355 -0.281 25870 13198 1 19 . 1 1 836 836 LEU CB C 836 42.415 42.415 42.151 0.264 25870 13199 1 19 . 1 1 836 836 LEU H H 836 7.625 7.625 8.152 -0.527 25870 13200 1 19 . 1 1 837 837 ALA N N 837 119.184 119.184 117.935 1.249 25870 13201 1 19 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.935 -0.040 25870 13202 1 19 . 1 1 837 837 ALA CA C 837 53.301 53.301 54.012 -0.711 25870 13203 1 19 . 1 1 837 837 ALA CB C 837 19.338 19.338 18.991 0.347 25870 13204 1 19 . 1 1 837 837 ALA H H 837 8.099 8.099 7.655 0.444 25870 13205 1 19 . 1 1 838 838 GLY N N 838 107.030 107.030 106.556 0.474 25870 13206 1 19 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.773 0.145 25870 13207 1 19 . 1 1 838 838 GLY H H 838 7.676 7.676 8.360 -0.684 25870 13208 1 19 . 1 1 839 839 ASP N N 839 122.291 122.291 124.621 -2.330 25870 13209 1 19 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.781 -0.304 25870 13210 1 19 . 1 1 839 839 ASP CA C 839 54.511 54.511 54.091 0.420 25870 13211 1 19 . 1 1 839 839 ASP CB C 839 40.181 40.181 42.257 -2.076 25870 13212 1 19 . 1 1 839 839 ASP H H 839 8.704 8.704 8.158 0.546 25870 13213 1 19 . 1 1 840 840 LYS N N 840 117.582 117.582 120.885 -3.303 25870 13214 1 19 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.365 -0.064 25870 13215 1 19 . 1 1 840 840 LYS CA C 840 55.780 55.780 56.087 -0.307 25870 13216 1 19 . 1 1 840 840 LYS CB C 840 33.710 33.710 32.964 0.746 25870 13217 1 19 . 1 1 840 840 LYS H H 840 7.583 7.583 7.334 0.249 25870 13218 1 19 . 1 1 841 841 ASN N N 841 116.678 116.678 115.582 1.096 25870 13219 1 19 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.613 -0.002 25870 13220 1 19 . 1 1 841 841 ASN CA C 841 53.466 53.466 53.924 -0.458 25870 13221 1 19 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.046 0.109 25870 13222 1 19 . 1 1 841 841 ASN H H 841 8.693 8.693 8.972 -0.279 25870 13223 1 19 . 1 1 842 842 TYR N N 842 112.236 112.236 114.149 -1.913 25870 13224 1 19 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.719 0.267 25870 13225 1 19 . 1 1 842 842 TYR CA C 842 54.918 54.918 55.972 -1.054 25870 13226 1 19 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.624 -0.029 25870 13227 1 19 . 1 1 842 842 TYR H H 842 6.637 6.637 7.299 -0.662 25870 13228 1 19 . 1 1 843 843 ILE N N 843 115.475 115.475 120.863 -5.388 25870 13229 1 19 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.618 0.174 25870 13230 1 19 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.232 0.725 25870 13231 1 19 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.919 0.090 25870 13232 1 19 . 1 1 843 843 ILE H H 843 8.630 8.630 9.188 -0.558 25870 13233 1 19 . 1 1 844 844 THR N N 844 117.169 117.169 118.395 -1.226 25870 13234 1 19 . 1 1 844 844 THR HA H 844 5.370 5.370 5.187 0.183 25870 13235 1 19 . 1 1 844 844 THR CA C 844 60.177 60.177 60.620 -0.443 25870 13236 1 19 . 1 1 844 844 THR CB C 844 71.088 71.088 70.637 0.451 25870 13237 1 19 . 1 1 844 844 THR H H 844 9.330 9.330 9.318 0.012 25870 13238 1 19 . 1 1 845 845 MET N N 845 119.860 119.860 120.100 -0.240 25870 13239 1 19 . 1 1 845 845 MET HA H 845 3.824 3.824 3.983 -0.159 25870 13240 1 19 . 1 1 845 845 MET CA C 845 60.321 60.321 60.407 -0.086 25870 13241 1 19 . 1 1 845 845 MET CB C 845 33.030 33.030 32.165 0.865 25870 13242 1 19 . 1 1 845 845 MET H H 845 8.556 8.556 8.749 -0.193 25870 13243 1 19 . 1 1 846 846 ASP N N 846 116.363 116.363 117.899 -1.536 25870 13244 1 19 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.485 -0.205 25870 13245 1 19 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.547 0.857 25870 13246 1 19 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.551 0.033 25870 13247 1 19 . 1 1 846 846 ASP H H 846 8.377 8.377 8.715 -0.338 25870 13248 1 19 . 1 1 847 847 GLU N N 847 120.577 120.577 119.301 1.276 25870 13249 1 19 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.129 -0.275 25870 13250 1 19 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.808 0.849 25870 13251 1 19 . 1 1 847 847 GLU CB C 847 29.660 29.660 29.964 -0.304 25870 13252 1 19 . 1 1 847 847 GLU H H 847 7.855 7.855 7.632 0.223 25870 13253 1 19 . 1 1 848 848 LEU N N 848 118.714 118.714 119.757 -1.043 25870 13254 1 19 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.033 -0.211 25870 13255 1 19 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.721 1.004 25870 13256 1 19 . 1 1 848 848 LEU CB C 848 42.457 42.457 42.068 0.389 25870 13257 1 19 . 1 1 848 848 LEU H H 848 7.849 7.849 7.537 0.312 25870 13258 1 19 . 1 1 849 849 ARG N N 849 113.972 113.972 114.654 -0.682 25870 13259 1 19 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.429 -0.505 25870 13260 1 19 . 1 1 849 849 ARG CA C 849 58.595 58.595 56.944 1.651 25870 13261 1 19 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.134 0.966 25870 13262 1 19 . 1 1 849 849 ARG H H 849 8.053 8.053 7.894 0.159 25870 13263 1 19 . 1 1 850 850 ARG N N 850 118.178 118.178 117.639 0.539 25870 13264 1 19 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.443 -0.250 25870 13265 1 19 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.370 0.875 25870 13266 1 19 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.459 -0.338 25870 13267 1 19 . 1 1 850 850 ARG H H 850 7.743 7.743 7.956 -0.213 25870 13268 1 19 . 1 1 851 851 GLU N N 851 115.518 115.518 119.739 -4.221 25870 13269 1 19 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.371 -0.021 25870 13270 1 19 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.362 -0.476 25870 13271 1 19 . 1 1 851 851 GLU CB C 851 31.590 31.590 31.573 0.017 25870 13272 1 19 . 1 1 851 851 GLU H H 851 7.596 7.596 7.758 -0.162 25870 13273 1 19 . 1 1 852 852 LEU N N 852 119.148 119.148 121.508 -2.360 25870 13274 1 19 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.089 -0.195 25870 13275 1 19 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.507 0.667 25870 13276 1 19 . 1 1 852 852 LEU CB C 852 42.469 42.469 42.084 0.385 25870 13277 1 19 . 1 1 852 852 LEU H H 852 7.890 7.890 7.992 -0.102 25870 13278 1 19 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.478 -0.131 25870 13279 1 19 . 1 1 853 853 PRO CA C 853 65.119 65.119 63.933 1.186 25870 13280 1 19 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.239 1.392 25870 13281 1 19 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.436 -0.166 25870 13282 1 19 . 1 1 854 854 PRO CA C 854 66.336 66.336 62.133 4.203 25870 13283 1 19 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.031 -0.775 25870 13284 1 19 . 1 1 855 855 ASP N N 855 114.865 114.865 118.961 -4.096 25870 13285 1 19 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.454 -0.105 25870 13286 1 19 . 1 1 855 855 ASP CA C 855 56.913 56.913 55.838 1.075 25870 13287 1 19 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.005 -0.761 25870 13288 1 19 . 1 1 855 855 ASP H H 855 8.801 8.801 8.324 0.477 25870 13289 1 19 . 1 1 856 856 GLN N N 856 121.465 121.465 118.949 2.516 25870 13290 1 19 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.329 -0.130 25870 13291 1 19 . 1 1 856 856 GLN CA C 856 58.317 58.317 58.965 -0.648 25870 13292 1 19 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.172 1.075 25870 13293 1 19 . 1 1 856 856 GLN H H 856 7.472 7.472 8.450 -0.978 25870 13294 1 19 . 1 1 857 857 ALA N N 857 122.805 122.805 121.916 0.889 25870 13295 1 19 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.964 -0.165 25870 13296 1 19 . 1 1 857 857 ALA CA C 857 56.303 56.303 55.631 0.672 25870 13297 1 19 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.186 -0.242 25870 13298 1 19 . 1 1 857 857 ALA H H 857 8.882 8.882 8.069 0.813 25870 13299 1 19 . 1 1 858 858 GLU N N 858 114.094 114.094 118.786 -4.692 25870 13300 1 19 . 1 1 858 858 GLU HA H 858 4.024 4.024 3.901 0.123 25870 13301 1 19 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.789 -0.107 25870 13302 1 19 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.019 -0.380 25870 13303 1 19 . 1 1 858 858 GLU H H 858 8.155 8.155 8.216 -0.061 25870 13304 1 19 . 1 1 859 859 TYR N N 859 120.665 120.665 121.926 -1.261 25870 13305 1 19 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.113 -0.029 25870 13306 1 19 . 1 1 859 859 TYR CA C 859 61.006 61.006 60.803 0.203 25870 13307 1 19 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.142 0.545 25870 13308 1 19 . 1 1 859 859 TYR H H 859 7.708 7.708 8.057 -0.349 25870 13309 1 19 . 1 1 860 860 CYS N N 860 115.812 115.812 117.916 -2.104 25870 13310 1 19 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.330 0.828 25870 13311 1 19 . 1 1 860 860 CYS CA C 860 64.254 64.254 63.924 0.330 25870 13312 1 19 . 1 1 860 860 CYS CB C 860 27.304 27.304 27.008 0.297 25870 13313 1 19 . 1 1 860 860 CYS H H 860 8.113 8.113 7.568 0.545 25870 13314 1 19 . 1 1 861 861 ILE N N 861 120.078 120.078 119.832 0.246 25870 13315 1 19 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.566 -0.227 25870 13316 1 19 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.255 0.388 25870 13317 1 19 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.601 1.113 25870 13318 1 19 . 1 1 861 861 ILE H H 861 8.453 8.453 8.075 0.378 25870 13319 1 19 . 1 1 862 862 ALA N N 862 116.691 116.691 122.775 -6.084 25870 13320 1 19 . 1 1 862 862 ALA HA H 862 4.209 4.209 3.960 0.249 25870 13321 1 19 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.726 -1.504 25870 13322 1 19 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.347 0.655 25870 13323 1 19 . 1 1 862 862 ALA H H 862 7.307 7.307 8.093 -0.786 25870 13324 1 19 . 1 1 863 863 ARG N N 863 117.226 117.226 115.275 1.951 25870 13325 1 19 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.471 -0.197 25870 13326 1 19 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.565 -0.514 25870 13327 1 19 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.641 0.748 25870 13328 1 19 . 1 1 863 863 ARG H H 863 7.358 7.358 7.557 -0.199 25870 13329 1 19 . 1 1 864 864 MET N N 864 117.583 117.583 118.315 -0.732 25870 13330 1 19 . 1 1 864 864 MET HA H 864 4.561 4.561 4.421 0.140 25870 13331 1 19 . 1 1 864 864 MET CA C 864 54.927 54.927 55.904 -0.977 25870 13332 1 19 . 1 1 864 864 MET CB C 864 37.418 37.418 34.183 3.235 25870 13333 1 19 . 1 1 864 864 MET H H 864 7.153 7.153 7.222 -0.069 25870 13334 1 19 . 1 1 865 865 ALA N N 865 124.643 124.643 126.727 -2.084 25870 13335 1 19 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.710 -0.844 25870 13336 1 19 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.982 -0.788 25870 13337 1 19 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.489 0.158 25870 13338 1 19 . 1 1 865 865 ALA H H 865 8.557 8.557 8.245 0.312 25870 13339 1 19 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.549 -0.053 25870 13340 1 19 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.791 -0.067 25870 13341 1 19 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.356 1.624 25870 13342 1 19 . 1 1 867 867 TYR N N 867 122.461 122.461 126.517 -4.056 25870 13343 1 19 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.442 0.286 25870 13344 1 19 . 1 1 867 867 TYR CA C 867 57.096 57.096 57.828 -0.732 25870 13345 1 19 . 1 1 867 867 TYR CB C 867 39.175 39.175 38.632 0.543 25870 13346 1 19 . 1 1 867 867 TYR H H 867 8.128 8.128 8.233 -0.105 25870 13347 1 19 . 1 1 868 868 THR HA H 868 4.351 4.351 4.484 -0.133 25870 13348 1 19 . 1 1 868 868 THR CA C 868 60.271 60.271 60.328 -0.056 25870 13349 1 19 . 1 1 868 868 THR CB C 868 68.737 68.737 71.545 -2.808 25870 13350 1 19 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.174 -0.260 25870 13351 1 19 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.437 -0.108 25870 13352 1 19 . 1 1 870 870 PRO CA C 870 64.697 64.697 64.143 0.554 25870 13353 1 19 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.278 -0.699 25870 13354 1 19 . 1 1 871 871 ASP N N 871 116.207 116.207 118.765 -2.558 25870 13355 1 19 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.705 -0.101 25870 13356 1 19 . 1 1 871 871 ASP CA C 871 52.749 52.749 54.172 -1.423 25870 13357 1 19 . 1 1 871 871 ASP CB C 871 38.929 38.929 41.061 -2.132 25870 13358 1 19 . 1 1 871 871 ASP H H 871 9.267 9.267 8.595 0.672 25870 13359 1 19 . 1 1 872 872 SER N N 872 112.349 112.349 115.555 -3.206 25870 13360 1 19 . 1 1 872 872 SER HA H 872 3.497 3.497 4.269 -0.772 25870 13361 1 19 . 1 1 872 872 SER CA C 872 59.065 59.065 58.398 0.667 25870 13362 1 19 . 1 1 872 872 SER CB C 872 63.125 63.125 64.105 -0.980 25870 13363 1 19 . 1 1 872 872 SER H H 872 7.487 7.487 7.467 0.020 25870 13364 1 19 . 1 1 873 873 VAL N N 873 113.567 113.567 114.500 -0.933 25870 13365 1 19 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.596 0.133 25870 13366 1 19 . 1 1 873 873 VAL CA C 873 58.044 58.044 58.131 -0.087 25870 13367 1 19 . 1 1 873 873 VAL CB C 873 32.911 32.911 32.260 0.651 25870 13368 1 19 . 1 1 873 873 VAL H H 873 6.411 6.411 7.957 -1.546 25870 13369 1 19 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.475 -0.179 25870 13370 1 19 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.185 1.150 25870 13371 1 19 . 1 1 874 874 PRO CB C 874 31.515 31.515 29.896 1.619 25870 13372 1 19 . 1 1 875 875 GLY N N 875 112.118 112.118 108.125 3.993 25870 13373 1 19 . 1 1 875 875 GLY CA C 875 45.557 45.557 45.924 -0.367 25870 13374 1 19 . 1 1 875 875 GLY H H 875 8.800 8.800 8.563 0.237 25870 13375 1 19 . 1 1 876 876 ALA N N 876 120.262 120.262 123.773 -3.511 25870 13376 1 19 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.524 -1.424 25870 13377 1 19 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.375 2.698 25870 13378 1 19 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.743 -1.235 25870 13379 1 19 . 1 1 876 876 ALA H H 876 7.762 7.762 7.750 0.012 25870 13380 1 19 . 1 1 877 877 LEU N N 877 125.695 125.695 121.776 3.919 25870 13381 1 19 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.273 -0.497 25870 13382 1 19 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.745 0.525 25870 13383 1 19 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.080 -2.281 25870 13384 1 19 . 1 1 877 877 LEU H H 877 9.595 9.595 9.318 0.277 25870 13385 1 19 . 1 1 878 878 ASP N N 878 119.823 119.823 121.745 -1.922 25870 13386 1 19 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.485 0.394 25870 13387 1 19 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.474 -0.477 25870 13388 1 19 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.581 -0.800 25870 13389 1 19 . 1 1 878 878 ASP H H 878 9.031 9.031 8.150 0.881 25870 13390 1 19 . 1 1 879 879 TYR N N 879 126.556 126.556 123.879 2.677 25870 13391 1 19 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.334 0.257 25870 13392 1 19 . 1 1 879 879 TYR CA C 879 59.396 59.396 60.054 -0.658 25870 13393 1 19 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.747 -0.426 25870 13394 1 19 . 1 1 879 879 TYR H H 879 7.456 7.456 8.033 -0.577 25870 13395 1 19 . 1 1 880 880 MET N N 880 119.958 119.958 113.414 6.544 25870 13396 1 19 . 1 1 880 880 MET HA H 880 4.605 4.605 4.863 -0.258 25870 13397 1 19 . 1 1 880 880 MET CA C 880 56.044 56.044 57.132 -1.088 25870 13398 1 19 . 1 1 880 880 MET CB C 880 30.101 30.101 33.373 -3.272 25870 13399 1 19 . 1 1 880 880 MET H H 880 7.627 7.627 7.530 0.097 25870 13400 1 19 . 1 1 881 881 SER N N 881 114.328 114.328 116.035 -1.707 25870 13401 1 19 . 1 1 881 881 SER HA H 881 4.471 4.471 4.611 -0.140 25870 13402 1 19 . 1 1 881 881 SER CA C 881 58.917 58.917 57.394 1.523 25870 13403 1 19 . 1 1 881 881 SER CB C 881 64.447 64.447 63.601 0.846 25870 13404 1 19 . 1 1 881 881 SER H H 881 7.726 7.726 8.214 -0.488 25870 13405 1 19 . 1 1 882 882 PHE N N 882 122.735 122.735 119.445 3.290 25870 13406 1 19 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.413 0.309 25870 13407 1 19 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.416 1.815 25870 13408 1 19 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.204 1.081 25870 13409 1 19 . 1 1 882 882 PHE H H 882 7.385 7.385 7.427 -0.042 25870 13410 1 19 . 1 1 883 883 SER N N 883 120.156 120.156 116.499 3.657 25870 13411 1 19 . 1 1 883 883 SER HA H 883 4.299 4.299 4.346 -0.047 25870 13412 1 19 . 1 1 883 883 SER CA C 883 57.280 57.280 58.196 -0.916 25870 13413 1 19 . 1 1 883 883 SER CB C 883 64.601 64.601 64.196 0.405 25870 13414 1 19 . 1 1 883 883 SER H H 883 7.472 7.472 8.378 -0.906 25870 13415 1 19 . 1 1 884 884 THR N N 884 110.683 110.683 118.055 -7.372 25870 13416 1 19 . 1 1 884 884 THR HA H 884 3.966 3.966 4.170 -0.204 25870 13417 1 19 . 1 1 884 884 THR CA C 884 63.465 63.465 62.693 0.772 25870 13418 1 19 . 1 1 884 884 THR CB C 884 68.899 68.899 68.742 0.157 25870 13419 1 19 . 1 1 884 884 THR H H 884 7.996 7.996 8.130 -0.134 25870 13420 1 19 . 1 1 885 885 ALA N N 885 125.456 125.456 125.139 0.317 25870 13421 1 19 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.576 -0.340 25870 13422 1 19 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.092 0.938 25870 13423 1 19 . 1 1 885 885 ALA CB C 885 19.225 19.225 19.933 -0.708 25870 13424 1 19 . 1 1 885 885 ALA H H 885 7.905 7.905 7.380 0.525 25870 13425 1 19 . 1 1 886 886 LEU N N 886 120.638 120.638 124.349 -3.711 25870 13426 1 19 . 1 1 886 886 LEU HA H 886 4.002 4.002 4.307 -0.305 25870 13427 1 19 . 1 1 886 886 LEU CA C 886 55.462 55.462 54.946 0.516 25870 13428 1 19 . 1 1 886 886 LEU CB C 886 42.265 42.265 42.818 -0.553 25870 13429 1 19 . 1 1 886 886 LEU H H 886 8.079 8.079 8.595 -0.516 25870 13430 1 19 . 1 1 887 887 TYR N N 887 121.526 121.526 120.541 0.985 25870 13431 1 19 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.425 -0.069 25870 13432 1 19 . 1 1 887 887 TYR CA C 887 58.750 58.750 57.611 1.139 25870 13433 1 19 . 1 1 887 887 TYR CB C 887 38.569 38.569 35.816 2.753 25870 13434 1 19 . 1 1 887 887 TYR H H 887 8.267 8.267 8.620 -0.353 25870 13435 1 19 . 1 1 888 888 GLY N N 888 112.379 112.379 107.826 4.553 25870 13436 1 19 . 1 1 888 888 GLY CA C 888 45.090 45.090 45.035 0.055 25870 13437 1 19 . 1 1 888 888 GLY H H 888 8.087 8.087 8.036 0.051 25870 13438 1 19 . 1 1 889 889 GLU N N 889 120.255 120.255 118.686 1.569 25870 13439 1 19 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.031 0.225 25870 13440 1 19 . 1 1 889 889 GLU CA C 889 56.445 56.445 57.323 -0.878 25870 13441 1 19 . 1 1 889 889 GLU CB C 889 30.393 30.393 28.970 1.423 25870 13442 1 19 . 1 1 889 889 GLU H H 889 7.994 7.994 7.991 0.003 25870 13443 1 19 . 1 1 890 890 SER N N 890 116.375 116.375 114.360 2.015 25870 13444 1 19 . 1 1 890 890 SER HA H 890 4.415 4.415 4.709 -0.294 25870 13445 1 19 . 1 1 890 890 SER CA C 890 58.204 58.204 57.606 0.598 25870 13446 1 19 . 1 1 890 890 SER CB C 890 63.913 63.913 65.233 -1.320 25870 13447 1 19 . 1 1 890 890 SER H H 890 8.329 8.329 7.994 0.335 25870 13448 1 19 . 1 1 891 891 ASP N N 891 123.017 123.017 119.886 3.131 25870 13449 1 19 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.784 -0.174 25870 13450 1 19 . 1 1 891 891 ASP CA C 891 54.371 54.371 55.405 -1.034 25870 13451 1 19 . 1 1 891 891 ASP CB C 891 41.013 41.013 41.154 -0.141 25870 13452 1 19 . 1 1 891 891 ASP H H 891 8.394 8.394 8.572 -0.178 25870 13453 1 20 . 1 1 742 742 SER HA H 742 4.525 4.525 4.354 0.171 25870 13454 1 20 . 1 1 742 742 SER CA C 742 58.148 58.148 59.302 -1.154 25870 13455 1 20 . 1 1 742 742 SER CB C 742 63.791 63.791 63.751 0.040 25870 13456 1 20 . 1 1 743 743 ILE N N 743 122.172 122.172 122.675 -0.503 25870 13457 1 20 . 1 1 743 743 ILE HA H 743 4.362 4.362 3.983 0.379 25870 13458 1 20 . 1 1 743 743 ILE CA C 743 60.421 60.421 62.100 -1.679 25870 13459 1 20 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.922 0.244 25870 13460 1 20 . 1 1 743 743 ILE H H 743 8.132 8.132 7.487 0.645 25870 13461 1 20 . 1 1 744 744 SER N N 744 123.144 123.144 120.783 2.361 25870 13462 1 20 . 1 1 744 744 SER HA H 744 4.449 4.449 4.623 -0.174 25870 13463 1 20 . 1 1 744 744 SER CA C 744 57.463 57.463 57.665 -0.202 25870 13464 1 20 . 1 1 744 744 SER CB C 744 65.219 65.219 64.806 0.413 25870 13465 1 20 . 1 1 744 744 SER H H 744 8.848 8.848 8.483 0.365 25870 13466 1 20 . 1 1 745 745 GLN N N 745 121.619 121.619 122.182 -0.563 25870 13467 1 20 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.119 -0.167 25870 13468 1 20 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.382 -0.614 25870 13469 1 20 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.605 -0.093 25870 13470 1 20 . 1 1 745 745 GLN H H 745 9.042 9.042 8.918 0.124 25870 13471 1 20 . 1 1 746 746 GLU N N 746 118.648 118.648 118.927 -0.279 25870 13472 1 20 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.193 -0.189 25870 13473 1 20 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.505 1.718 25870 13474 1 20 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.396 -0.542 25870 13475 1 20 . 1 1 746 746 GLU H H 746 8.721 8.721 8.425 0.296 25870 13476 1 20 . 1 1 747 747 GLN N N 747 120.463 120.463 120.195 0.268 25870 13477 1 20 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.352 -0.586 25870 13478 1 20 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.837 -0.531 25870 13479 1 20 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.202 0.746 25870 13480 1 20 . 1 1 747 747 GLN H H 747 7.838 7.838 8.445 -0.607 25870 13481 1 20 . 1 1 748 748 MET N N 748 119.252 119.252 114.961 4.291 25870 13482 1 20 . 1 1 748 748 MET HA H 748 4.200 4.200 4.480 -0.280 25870 13483 1 20 . 1 1 748 748 MET CA C 748 58.096 58.096 59.043 -0.947 25870 13484 1 20 . 1 1 748 748 MET CB C 748 30.900 30.900 32.317 -1.417 25870 13485 1 20 . 1 1 748 748 MET H H 748 8.473 8.473 8.243 0.230 25870 13486 1 20 . 1 1 749 749 ASN N N 749 117.740 117.740 118.784 -1.044 25870 13487 1 20 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.517 -0.043 25870 13488 1 20 . 1 1 749 749 ASN CA C 749 55.795 55.795 56.029 -0.234 25870 13489 1 20 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.998 -1.585 25870 13490 1 20 . 1 1 749 749 ASN H H 749 8.334 8.334 7.942 0.392 25870 13491 1 20 . 1 1 750 750 GLU N N 750 122.848 122.848 119.878 2.970 25870 13492 1 20 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.144 0.060 25870 13493 1 20 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.546 0.795 25870 13494 1 20 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.502 -0.318 25870 13495 1 20 . 1 1 750 750 GLU H H 750 7.838 7.838 8.391 -0.553 25870 13496 1 20 . 1 1 751 751 PHE N N 751 120.177 120.177 123.354 -3.177 25870 13497 1 20 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.320 0.701 25870 13498 1 20 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.432 -1.079 25870 13499 1 20 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.367 -1.570 25870 13500 1 20 . 1 1 751 751 PHE H H 751 8.785 8.785 8.538 0.247 25870 13501 1 20 . 1 1 752 752 ARG N N 752 120.528 120.528 119.391 1.137 25870 13502 1 20 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.862 0.298 25870 13503 1 20 . 1 1 752 752 ARG CA C 752 59.704 59.704 57.737 1.967 25870 13504 1 20 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.714 1.254 25870 13505 1 20 . 1 1 752 752 ARG H H 752 9.016 9.016 7.996 1.020 25870 13506 1 20 . 1 1 753 753 ALA N N 753 121.112 121.112 121.931 -0.819 25870 13507 1 20 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.536 -0.291 25870 13508 1 20 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.172 1.159 25870 13509 1 20 . 1 1 753 753 ALA CB C 753 17.823 17.823 18.191 -0.368 25870 13510 1 20 . 1 1 753 753 ALA H H 753 8.100 8.100 7.619 0.481 25870 13511 1 20 . 1 1 754 754 SER N N 754 115.589 115.589 115.269 0.320 25870 13512 1 20 . 1 1 754 754 SER HA H 754 4.452 4.452 4.182 0.270 25870 13513 1 20 . 1 1 754 754 SER CA C 754 62.675 62.675 59.891 2.784 25870 13514 1 20 . 1 1 754 754 SER CB C 754 63.359 63.359 62.823 0.536 25870 13515 1 20 . 1 1 754 754 SER H H 754 8.391 8.391 8.031 0.360 25870 13516 1 20 . 1 1 755 755 PHE N N 755 121.886 121.886 119.703 2.183 25870 13517 1 20 . 1 1 755 755 PHE HA H 755 3.642 3.642 4.067 -0.425 25870 13518 1 20 . 1 1 755 755 PHE CA C 755 61.964 61.964 60.437 1.527 25870 13519 1 20 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.866 0.956 25870 13520 1 20 . 1 1 755 755 PHE H H 755 8.675 8.675 7.373 1.302 25870 13521 1 20 . 1 1 756 756 ASN N N 756 113.618 113.618 113.236 0.382 25870 13522 1 20 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.005 0.422 25870 13523 1 20 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.973 2.638 25870 13524 1 20 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.268 -0.430 25870 13525 1 20 . 1 1 756 756 ASN H H 756 8.593 8.593 7.480 1.113 25870 13526 1 20 . 1 1 757 757 HIS N N 757 119.679 119.679 121.337 -1.658 25870 13527 1 20 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.255 -0.176 25870 13528 1 20 . 1 1 757 757 HIS CA C 757 59.344 59.344 59.444 -0.100 25870 13529 1 20 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.064 -0.175 25870 13530 1 20 . 1 1 757 757 HIS H H 757 8.139 8.139 7.511 0.628 25870 13531 1 20 . 1 1 758 758 PHE N N 758 113.051 113.051 116.615 -3.564 25870 13532 1 20 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.630 -0.569 25870 13533 1 20 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.422 2.275 25870 13534 1 20 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.626 -1.891 25870 13535 1 20 . 1 1 758 758 PHE H H 758 7.585 7.585 7.630 -0.045 25870 13536 1 20 . 1 1 759 759 ASP N N 759 120.916 120.916 121.499 -0.583 25870 13537 1 20 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.470 0.039 25870 13538 1 20 . 1 1 759 759 ASP CA C 759 52.171 52.171 55.008 -2.837 25870 13539 1 20 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.657 -2.648 25870 13540 1 20 . 1 1 759 759 ASP H H 759 7.423 7.423 7.938 -0.515 25870 13541 1 20 . 1 1 760 760 ARG N N 760 124.819 124.819 125.900 -1.081 25870 13542 1 20 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.094 -0.326 25870 13543 1 20 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.602 -0.327 25870 13544 1 20 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.660 -0.411 25870 13545 1 20 . 1 1 760 760 ARG H H 760 7.781 7.781 8.305 -0.524 25870 13546 1 20 . 1 1 761 761 ASP N N 761 113.673 113.673 113.269 0.404 25870 13547 1 20 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.711 -0.228 25870 13548 1 20 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.426 -1.449 25870 13549 1 20 . 1 1 761 761 ASP CB C 761 39.522 39.522 40.645 -1.123 25870 13550 1 20 . 1 1 761 761 ASP H H 761 7.821 7.821 8.098 -0.277 25870 13551 1 20 . 1 1 762 762 HIS N N 762 114.966 114.966 116.846 -1.880 25870 13552 1 20 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.241 -0.080 25870 13553 1 20 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.939 -0.321 25870 13554 1 20 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.916 -2.536 25870 13555 1 20 . 1 1 762 762 HIS H H 762 7.744 7.744 7.899 -0.155 25870 13556 1 20 . 1 1 763 763 SER N N 763 115.077 115.077 113.916 1.161 25870 13557 1 20 . 1 1 763 763 SER HA H 763 4.336 4.336 4.368 -0.032 25870 13558 1 20 . 1 1 763 763 SER CA C 763 59.860 59.860 59.752 0.108 25870 13559 1 20 . 1 1 763 763 SER CB C 763 65.192 65.192 64.113 1.079 25870 13560 1 20 . 1 1 763 763 SER H H 763 8.726 8.726 8.660 0.066 25870 13561 1 20 . 1 1 764 764 GLY N N 764 116.915 116.915 110.670 6.245 25870 13562 1 20 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.320 0.129 25870 13563 1 20 . 1 1 764 764 GLY H H 764 11.017 11.017 8.867 2.150 25870 13564 1 20 . 1 1 765 765 THR N N 765 107.334 107.334 109.918 -2.584 25870 13565 1 20 . 1 1 765 765 THR HA H 765 4.829 4.829 5.164 -0.335 25870 13566 1 20 . 1 1 765 765 THR CA C 765 58.759 58.759 60.256 -1.497 25870 13567 1 20 . 1 1 765 765 THR CB C 765 73.383 73.383 72.193 1.190 25870 13568 1 20 . 1 1 765 765 THR H H 765 7.693 7.693 8.069 -0.376 25870 13569 1 20 . 1 1 766 766 LEU N N 766 124.664 124.664 123.757 0.907 25870 13570 1 20 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.717 0.183 25870 13571 1 20 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.619 -1.280 25870 13572 1 20 . 1 1 766 766 LEU CB C 766 42.339 42.339 43.107 -0.768 25870 13573 1 20 . 1 1 766 766 LEU H H 766 9.209 9.209 8.659 0.550 25870 13574 1 20 . 1 1 767 767 GLY N N 767 112.024 112.024 112.113 -0.089 25870 13575 1 20 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.833 0.290 25870 13576 1 20 . 1 1 767 767 GLY H H 767 8.910 8.910 8.939 -0.029 25870 13577 1 20 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.525 -0.207 25870 13578 1 20 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.265 0.862 25870 13579 1 20 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.033 -0.004 25870 13580 1 20 . 1 1 769 769 GLU N N 769 115.246 115.246 117.699 -2.453 25870 13581 1 20 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.060 -0.089 25870 13582 1 20 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.933 0.688 25870 13583 1 20 . 1 1 769 769 GLU CB C 769 28.628 28.628 28.741 -0.112 25870 13584 1 20 . 1 1 769 769 GLU H H 769 8.622 8.622 8.988 -0.366 25870 13585 1 20 . 1 1 770 770 GLU N N 770 121.127 121.127 118.232 2.895 25870 13586 1 20 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.248 0.024 25870 13587 1 20 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.485 0.012 25870 13588 1 20 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.910 1.462 25870 13589 1 20 . 1 1 770 770 GLU H H 770 7.493 7.493 8.082 -0.589 25870 13590 1 20 . 1 1 771 771 PHE N N 771 117.688 117.688 122.072 -4.384 25870 13591 1 20 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.278 0.077 25870 13592 1 20 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.638 -2.013 25870 13593 1 20 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.442 -0.632 25870 13594 1 20 . 1 1 771 771 PHE H H 771 9.110 9.110 8.982 0.128 25870 13595 1 20 . 1 1 772 772 LYS N N 772 119.789 119.789 118.603 1.186 25870 13596 1 20 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.704 -0.391 25870 13597 1 20 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.352 2.320 25870 13598 1 20 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.923 1.056 25870 13599 1 20 . 1 1 772 772 LYS H H 772 8.594 8.594 8.036 0.558 25870 13600 1 20 . 1 1 773 773 ALA N N 773 118.461 118.461 120.674 -2.213 25870 13601 1 20 . 1 1 773 773 ALA HA H 773 3.881 3.881 3.978 -0.097 25870 13602 1 20 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.721 1.292 25870 13603 1 20 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.840 -1.211 25870 13604 1 20 . 1 1 773 773 ALA H H 773 7.231 7.231 7.490 -0.259 25870 13605 1 20 . 1 1 774 774 CYS N N 774 120.913 120.913 119.306 1.607 25870 13606 1 20 . 1 1 774 774 CYS HA H 774 2.435 2.435 3.244 -0.809 25870 13607 1 20 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.804 -0.631 25870 13608 1 20 . 1 1 774 774 CYS CB C 774 26.215 26.215 27.284 -1.069 25870 13609 1 20 . 1 1 774 774 CYS H H 774 7.498 7.498 7.654 -0.156 25870 13610 1 20 . 1 1 775 775 LEU N N 775 119.201 119.201 118.621 0.580 25870 13611 1 20 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.590 0.176 25870 13612 1 20 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.367 1.565 25870 13613 1 20 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.222 -0.272 25870 13614 1 20 . 1 1 775 775 LEU H H 775 8.372 8.372 7.522 0.850 25870 13615 1 20 . 1 1 776 776 ILE N N 776 121.051 121.051 118.405 2.646 25870 13616 1 20 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.437 1.653 25870 13617 1 20 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.230 1.014 25870 13618 1 20 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.220 0.771 25870 13619 1 20 . 1 1 776 776 ILE H H 776 8.358 8.358 6.650 1.708 25870 13620 1 20 . 1 1 777 777 SER N N 777 119.109 119.109 113.072 6.037 25870 13621 1 20 . 1 1 777 777 SER HA H 777 4.291 4.291 4.156 0.135 25870 13622 1 20 . 1 1 777 777 SER CA C 777 61.725 61.725 59.596 2.129 25870 13623 1 20 . 1 1 777 777 SER CB C 777 62.995 62.995 63.257 -0.262 25870 13624 1 20 . 1 1 777 777 SER H H 777 7.822 7.822 7.319 0.503 25870 13625 1 20 . 1 1 778 778 LEU N N 778 121.208 121.208 117.595 3.613 25870 13626 1 20 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.355 0.151 25870 13627 1 20 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.604 1.395 25870 13628 1 20 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.158 0.512 25870 13629 1 20 . 1 1 778 778 LEU H H 778 7.671 7.671 7.003 0.668 25870 13630 1 20 . 1 1 779 779 GLY N N 779 106.232 106.232 107.214 -0.982 25870 13631 1 20 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.062 0.224 25870 13632 1 20 . 1 1 779 779 GLY H H 779 7.897 7.897 7.320 0.577 25870 13633 1 20 . 1 1 780 780 TYR N N 780 120.772 120.772 119.364 1.408 25870 13634 1 20 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.552 -0.410 25870 13635 1 20 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.004 4.227 25870 13636 1 20 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.599 -0.258 25870 13637 1 20 . 1 1 780 780 TYR H H 780 8.072 8.072 7.493 0.579 25870 13638 1 20 . 1 1 781 781 ASP N N 781 124.304 124.304 117.847 6.457 25870 13639 1 20 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.702 -0.037 25870 13640 1 20 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.479 -0.331 25870 13641 1 20 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.417 -0.613 25870 13642 1 20 . 1 1 781 781 ASP H H 781 8.862 8.862 9.086 -0.224 25870 13643 1 20 . 1 1 782 782 ILE N N 782 122.271 122.271 112.711 9.560 25870 13644 1 20 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.426 -0.085 25870 13645 1 20 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.069 -0.077 25870 13646 1 20 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.607 -2.700 25870 13647 1 20 . 1 1 782 782 ILE H H 782 7.344 7.344 6.921 0.423 25870 13648 1 20 . 1 1 783 783 GLY N N 783 112.322 112.322 105.873 6.449 25870 13649 1 20 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.514 0.009 25870 13650 1 20 . 1 1 783 783 GLY H H 783 8.122 8.122 8.198 -0.076 25870 13651 1 20 . 1 1 784 784 ASN N N 784 118.727 118.727 117.706 1.021 25870 13652 1 20 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.813 0.069 25870 13653 1 20 . 1 1 784 784 ASN CA C 784 52.098 52.098 53.094 -0.996 25870 13654 1 20 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.878 -1.454 25870 13655 1 20 . 1 1 784 784 ASN H H 784 8.452 8.452 8.641 -0.189 25870 13656 1 20 . 1 1 785 785 ASP N N 785 119.826 119.826 120.529 -0.703 25870 13657 1 20 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.684 0.094 25870 13658 1 20 . 1 1 785 785 ASP CA C 785 52.164 52.164 52.926 -0.762 25870 13659 1 20 . 1 1 785 785 ASP CB C 785 39.657 39.657 41.115 -1.458 25870 13660 1 20 . 1 1 785 785 ASP H H 785 8.145 8.145 7.647 0.498 25870 13661 1 20 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.239 0.032 25870 13662 1 20 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.249 1.016 25870 13663 1 20 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.148 -0.137 25870 13664 1 20 . 1 1 787 787 GLN N N 787 118.097 118.097 117.419 0.678 25870 13665 1 20 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.234 -0.093 25870 13666 1 20 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.014 1.101 25870 13667 1 20 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.506 -0.773 25870 13668 1 20 . 1 1 787 787 GLN H H 787 8.409 8.409 8.277 0.132 25870 13669 1 20 . 1 1 788 788 GLY N N 788 113.421 113.421 108.618 4.803 25870 13670 1 20 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.562 0.755 25870 13671 1 20 . 1 1 788 788 GLY H H 788 8.644 8.644 8.409 0.235 25870 13672 1 20 . 1 1 789 789 GLU N N 789 121.223 121.223 121.821 -0.598 25870 13673 1 20 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.255 -0.107 25870 13674 1 20 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.640 -0.296 25870 13675 1 20 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.444 -0.009 25870 13676 1 20 . 1 1 789 789 GLU H H 789 8.514 8.514 8.517 -0.003 25870 13677 1 20 . 1 1 790 790 ALA N N 790 122.879 122.879 122.336 0.543 25870 13678 1 20 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.190 0.057 25870 13679 1 20 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.156 -0.249 25870 13680 1 20 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.394 -0.614 25870 13681 1 20 . 1 1 790 790 ALA H H 790 8.024 8.024 7.535 0.489 25870 13682 1 20 . 1 1 791 791 GLU N N 791 122.622 122.622 119.274 3.348 25870 13683 1 20 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.103 0.584 25870 13684 1 20 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.614 -0.480 25870 13685 1 20 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.450 -0.389 25870 13686 1 20 . 1 1 791 791 GLU H H 791 8.280 8.280 7.620 0.660 25870 13687 1 20 . 1 1 792 792 PHE N N 792 119.949 119.949 121.562 -1.613 25870 13688 1 20 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.179 -0.141 25870 13689 1 20 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.329 0.483 25870 13690 1 20 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.463 0.135 25870 13691 1 20 . 1 1 792 792 PHE H H 792 8.722 8.722 8.879 -0.157 25870 13692 1 20 . 1 1 793 793 ALA N N 793 119.652 119.652 121.209 -1.557 25870 13693 1 20 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.276 0.578 25870 13694 1 20 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.453 0.450 25870 13695 1 20 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.881 -0.253 25870 13696 1 20 . 1 1 793 793 ALA H H 793 8.163 8.163 7.815 0.348 25870 13697 1 20 . 1 1 794 794 ARG N N 794 121.092 121.092 119.391 1.701 25870 13698 1 20 . 1 1 794 794 ARG HA H 794 3.910 3.910 3.995 -0.085 25870 13699 1 20 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.077 0.394 25870 13700 1 20 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.204 -0.112 25870 13701 1 20 . 1 1 794 794 ARG H H 794 8.034 8.034 7.763 0.271 25870 13702 1 20 . 1 1 795 795 ILE N N 795 121.394 121.394 120.925 0.469 25870 13703 1 20 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.721 -0.333 25870 13704 1 20 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.265 0.583 25870 13705 1 20 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.263 -0.054 25870 13706 1 20 . 1 1 795 795 ILE H H 795 8.049 8.049 8.350 -0.301 25870 13707 1 20 . 1 1 796 796 MET N N 796 119.012 119.012 118.043 0.969 25870 13708 1 20 . 1 1 796 796 MET HA H 796 4.155 4.155 3.937 0.218 25870 13709 1 20 . 1 1 796 796 MET CA C 796 56.470 56.470 58.425 -1.955 25870 13710 1 20 . 1 1 796 796 MET CB C 796 29.892 29.892 31.758 -1.866 25870 13711 1 20 . 1 1 796 796 MET H H 796 8.589 8.589 8.213 0.376 25870 13712 1 20 . 1 1 797 797 SER N N 797 114.132 114.132 112.887 1.245 25870 13713 1 20 . 1 1 797 797 SER HA H 797 4.097 4.097 4.323 -0.226 25870 13714 1 20 . 1 1 797 797 SER CA C 797 61.231 61.231 60.318 0.913 25870 13715 1 20 . 1 1 797 797 SER CB C 797 62.895 62.895 63.964 -1.069 25870 13716 1 20 . 1 1 797 797 SER H H 797 7.732 7.732 7.633 0.099 25870 13717 1 20 . 1 1 798 798 ILE N N 798 120.873 120.873 115.412 5.461 25870 13718 1 20 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.120 -0.302 25870 13719 1 20 . 1 1 798 798 ILE CA C 798 63.875 63.875 62.822 1.053 25870 13720 1 20 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.714 0.149 25870 13721 1 20 . 1 1 798 798 ILE H H 798 7.352 7.352 7.656 -0.304 25870 13722 1 20 . 1 1 799 799 VAL N N 799 110.552 110.552 112.333 -1.781 25870 13723 1 20 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.039 0.204 25870 13724 1 20 . 1 1 799 799 VAL CA C 799 62.616 62.616 61.461 1.155 25870 13725 1 20 . 1 1 799 799 VAL CB C 799 32.416 32.416 31.451 0.965 25870 13726 1 20 . 1 1 799 799 VAL H H 799 7.648 7.648 7.759 -0.111 25870 13727 1 20 . 1 1 800 800 ASP N N 800 119.435 119.435 120.226 -0.791 25870 13728 1 20 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.078 0.147 25870 13729 1 20 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.207 1.508 25870 13730 1 20 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.816 -0.730 25870 13731 1 20 . 1 1 800 800 ASP H H 800 8.074 8.074 7.861 0.213 25870 13732 1 20 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.445 -0.114 25870 13733 1 20 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.984 0.835 25870 13734 1 20 . 1 1 801 801 PRO CB C 801 31.689 31.689 31.787 -0.098 25870 13735 1 20 . 1 1 802 802 ASN N N 802 115.164 115.164 115.742 -0.578 25870 13736 1 20 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.747 0.013 25870 13737 1 20 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.624 0.374 25870 13738 1 20 . 1 1 802 802 ASN CB C 802 37.952 37.952 40.013 -2.061 25870 13739 1 20 . 1 1 802 802 ASN H H 802 8.949 8.949 7.546 1.403 25870 13740 1 20 . 1 1 803 803 ARG N N 803 117.446 117.446 116.577 0.869 25870 13741 1 20 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.060 -0.230 25870 13742 1 20 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.876 0.012 25870 13743 1 20 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.039 -0.685 25870 13744 1 20 . 1 1 803 803 ARG H H 803 7.958 7.958 7.990 -0.032 25870 13745 1 20 . 1 1 804 804 LEU N N 804 123.307 123.307 116.814 6.493 25870 13746 1 20 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.656 -0.500 25870 13747 1 20 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.520 1.853 25870 13748 1 20 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.632 1.298 25870 13749 1 20 . 1 1 804 804 LEU H H 804 10.591 10.591 8.068 2.523 25870 13750 1 20 . 1 1 805 805 GLY N N 805 110.516 110.516 107.531 2.985 25870 13751 1 20 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.373 -0.429 25870 13752 1 20 . 1 1 805 805 GLY H H 805 11.001 11.001 8.292 2.709 25870 13753 1 20 . 1 1 806 806 VAL N N 806 109.840 109.840 113.816 -3.976 25870 13754 1 20 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.274 0.297 25870 13755 1 20 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.361 -0.795 25870 13756 1 20 . 1 1 806 806 VAL CB C 806 36.853 36.853 35.384 1.469 25870 13757 1 20 . 1 1 806 806 VAL H H 806 6.831 6.831 7.066 -0.235 25870 13758 1 20 . 1 1 807 807 VAL N N 807 122.184 122.184 122.020 0.164 25870 13759 1 20 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.407 -0.240 25870 13760 1 20 . 1 1 807 807 VAL CA C 807 61.644 61.644 61.410 0.234 25870 13761 1 20 . 1 1 807 807 VAL CB C 807 32.383 32.383 31.922 0.460 25870 13762 1 20 . 1 1 807 807 VAL H H 807 9.007 9.007 8.811 0.196 25870 13763 1 20 . 1 1 808 808 THR N N 808 117.391 117.391 118.433 -1.042 25870 13764 1 20 . 1 1 808 808 THR HA H 808 4.593 4.593 4.624 -0.031 25870 13765 1 20 . 1 1 808 808 THR CA C 808 60.615 60.615 58.581 2.034 25870 13766 1 20 . 1 1 808 808 THR CB C 808 70.695 70.695 71.217 -0.522 25870 13767 1 20 . 1 1 808 808 THR H H 808 7.925 7.925 7.574 0.351 25870 13768 1 20 . 1 1 809 809 PHE N N 809 122.236 122.236 120.296 1.940 25870 13769 1 20 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.434 -0.794 25870 13770 1 20 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.378 0.371 25870 13771 1 20 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.459 0.718 25870 13772 1 20 . 1 1 809 809 PHE H H 809 9.349 9.349 8.176 1.173 25870 13773 1 20 . 1 1 810 810 GLN N N 810 116.788 116.788 116.752 0.036 25870 13774 1 20 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.160 -0.562 25870 13775 1 20 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.956 0.626 25870 13776 1 20 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.498 -0.300 25870 13777 1 20 . 1 1 810 810 GLN H H 810 8.572 8.572 7.804 0.768 25870 13778 1 20 . 1 1 811 811 ALA N N 811 121.208 121.208 122.019 -0.811 25870 13779 1 20 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.205 -0.086 25870 13780 1 20 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.693 1.218 25870 13781 1 20 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.808 0.457 25870 13782 1 20 . 1 1 811 811 ALA H H 811 7.667 7.667 7.694 -0.027 25870 13783 1 20 . 1 1 812 812 PHE N N 812 119.805 119.805 118.732 1.073 25870 13784 1 20 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.329 -0.349 25870 13785 1 20 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.470 -0.730 25870 13786 1 20 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.524 1.146 25870 13787 1 20 . 1 1 812 812 PHE H H 812 8.400 8.400 8.259 0.141 25870 13788 1 20 . 1 1 813 813 ILE N N 813 118.098 118.098 118.144 -0.046 25870 13789 1 20 . 1 1 813 813 ILE HA H 813 3.146 3.146 4.056 -0.910 25870 13790 1 20 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.761 0.537 25870 13791 1 20 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.372 -0.170 25870 13792 1 20 . 1 1 813 813 ILE H H 813 8.364 8.364 7.839 0.525 25870 13793 1 20 . 1 1 814 814 ASP N N 814 123.528 123.528 120.513 3.015 25870 13794 1 20 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.369 -0.173 25870 13795 1 20 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.749 -0.069 25870 13796 1 20 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.791 -0.555 25870 13797 1 20 . 1 1 814 814 ASP H H 814 8.221 8.221 7.906 0.315 25870 13798 1 20 . 1 1 815 815 PHE N N 815 120.584 120.584 119.848 0.736 25870 13799 1 20 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.372 -0.243 25870 13800 1 20 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.807 0.277 25870 13801 1 20 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.455 0.243 25870 13802 1 20 . 1 1 815 815 PHE H H 815 7.887 7.887 7.890 -0.003 25870 13803 1 20 . 1 1 816 816 MET N N 816 116.960 116.960 118.485 -1.525 25870 13804 1 20 . 1 1 816 816 MET HA H 816 3.782 3.782 4.162 -0.380 25870 13805 1 20 . 1 1 816 816 MET CA C 816 55.662 55.662 56.775 -1.113 25870 13806 1 20 . 1 1 816 816 MET CB C 816 30.033 30.033 32.001 -1.968 25870 13807 1 20 . 1 1 816 816 MET H H 816 8.372 8.372 8.239 0.133 25870 13808 1 20 . 1 1 817 817 SER N N 817 114.277 114.277 113.159 1.118 25870 13809 1 20 . 1 1 817 817 SER HA H 817 4.194 4.194 4.328 -0.134 25870 13810 1 20 . 1 1 817 817 SER CA C 817 60.521 60.521 59.769 0.752 25870 13811 1 20 . 1 1 817 817 SER CB C 817 63.185 63.185 63.252 -0.067 25870 13812 1 20 . 1 1 817 817 SER H H 817 8.074 8.074 8.346 -0.272 25870 13813 1 20 . 1 1 818 818 ARG N N 818 121.493 121.493 121.628 -0.135 25870 13814 1 20 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.114 0.010 25870 13815 1 20 . 1 1 818 818 ARG CA C 818 57.684 57.684 58.456 -0.772 25870 13816 1 20 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.539 0.776 25870 13817 1 20 . 1 1 818 818 ARG H H 818 7.288 7.288 8.123 -0.835 25870 13818 1 20 . 1 1 819 819 GLU N N 819 119.737 119.737 119.441 0.296 25870 13819 1 20 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.061 0.040 25870 13820 1 20 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.887 -1.821 25870 13821 1 20 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.009 1.482 25870 13822 1 20 . 1 1 819 819 GLU H H 819 8.045 8.045 7.698 0.347 25870 13823 1 20 . 1 1 820 820 THR N N 820 112.128 112.128 109.218 2.910 25870 13824 1 20 . 1 1 820 820 THR HA H 820 4.280 4.280 3.953 0.327 25870 13825 1 20 . 1 1 820 820 THR CA C 820 62.055 62.055 63.051 -0.996 25870 13826 1 20 . 1 1 820 820 THR CB C 820 69.828 69.828 68.959 0.869 25870 13827 1 20 . 1 1 820 820 THR H H 820 7.760 7.760 7.360 0.400 25870 13828 1 20 . 1 1 821 821 ALA N N 821 126.098 126.098 124.856 1.242 25870 13829 1 20 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.397 -0.113 25870 13830 1 20 . 1 1 821 821 ALA CA C 821 52.726 52.726 50.859 1.867 25870 13831 1 20 . 1 1 821 821 ALA CB C 821 19.304 19.304 20.341 -1.037 25870 13832 1 20 . 1 1 821 821 ALA H H 821 7.957 7.957 7.645 0.312 25870 13833 1 20 . 1 1 822 822 ASP N N 822 119.904 119.904 123.409 -3.505 25870 13834 1 20 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.378 0.235 25870 13835 1 20 . 1 1 822 822 ASP CA C 822 54.335 54.335 54.978 -0.643 25870 13836 1 20 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.813 -0.781 25870 13837 1 20 . 1 1 822 822 ASP H H 822 8.352 8.352 8.485 -0.133 25870 13838 1 20 . 1 1 823 823 THR N N 823 114.142 114.142 117.431 -3.289 25870 13839 1 20 . 1 1 823 823 THR HA H 823 4.278 4.278 4.596 -0.318 25870 13840 1 20 . 1 1 823 823 THR CA C 823 62.117 62.117 60.830 1.288 25870 13841 1 20 . 1 1 823 823 THR CB C 823 69.584 69.584 71.489 -1.905 25870 13842 1 20 . 1 1 823 823 THR H H 823 8.079 8.079 8.233 -0.154 25870 13843 1 20 . 1 1 824 824 ASP N N 824 123.261 123.261 122.735 0.526 25870 13844 1 20 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.440 0.217 25870 13845 1 20 . 1 1 824 824 ASP CA C 824 54.786 54.786 57.245 -2.458 25870 13846 1 20 . 1 1 824 824 ASP CB C 824 41.085 41.085 41.052 0.033 25870 13847 1 20 . 1 1 824 824 ASP H H 824 8.431 8.431 8.878 -0.447 25870 13848 1 20 . 1 1 825 825 THR N N 825 114.932 114.932 112.332 2.600 25870 13849 1 20 . 1 1 825 825 THR HA H 825 4.161 4.161 4.213 -0.052 25870 13850 1 20 . 1 1 825 825 THR CA C 825 63.109 63.109 64.265 -1.156 25870 13851 1 20 . 1 1 825 825 THR CB C 825 69.455 69.455 68.500 0.955 25870 13852 1 20 . 1 1 825 825 THR H H 825 8.155 8.155 8.417 -0.262 25870 13853 1 20 . 1 1 826 826 ALA N N 826 124.961 124.961 124.239 0.722 25870 13854 1 20 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.004 0.156 25870 13855 1 20 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.693 -0.301 25870 13856 1 20 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.458 0.152 25870 13857 1 20 . 1 1 826 826 ALA H H 826 8.379 8.379 7.543 0.836 25870 13858 1 20 . 1 1 827 827 ASP N N 827 117.765 117.765 117.870 -0.105 25870 13859 1 20 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.335 0.090 25870 13860 1 20 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.145 -1.094 25870 13861 1 20 . 1 1 827 827 ASP CB C 827 40.559 40.559 40.941 -0.383 25870 13862 1 20 . 1 1 827 827 ASP H H 827 8.250 8.250 7.927 0.323 25870 13863 1 20 . 1 1 828 828 GLN N N 828 120.523 120.523 117.991 2.532 25870 13864 1 20 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.065 0.026 25870 13865 1 20 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.223 -0.409 25870 13866 1 20 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.852 -0.303 25870 13867 1 20 . 1 1 828 828 GLN H H 828 8.076 8.076 7.675 0.401 25870 13868 1 20 . 1 1 829 829 VAL N N 829 120.970 120.970 120.749 0.221 25870 13869 1 20 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.806 -0.281 25870 13870 1 20 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.185 1.009 25870 13871 1 20 . 1 1 829 829 VAL CB C 829 31.541 31.541 32.062 -0.521 25870 13872 1 20 . 1 1 829 829 VAL H H 829 8.051 8.051 7.321 0.730 25870 13873 1 20 . 1 1 830 830 MET N N 830 119.572 119.572 118.520 1.052 25870 13874 1 20 . 1 1 830 830 MET HA H 830 4.006 4.006 3.931 0.075 25870 13875 1 20 . 1 1 830 830 MET CA C 830 57.977 57.977 57.936 0.041 25870 13876 1 20 . 1 1 830 830 MET CB C 830 31.995 31.995 31.840 0.155 25870 13877 1 20 . 1 1 830 830 MET H H 830 8.110 8.110 8.211 -0.101 25870 13878 1 20 . 1 1 831 831 ALA N N 831 121.059 121.059 121.174 -0.115 25870 13879 1 20 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.478 0.567 25870 13880 1 20 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.334 0.167 25870 13881 1 20 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.494 0.573 25870 13882 1 20 . 1 1 831 831 ALA H H 831 7.836 7.836 7.311 0.525 25870 13883 1 20 . 1 1 832 832 SER N N 832 114.256 114.256 115.797 -1.541 25870 13884 1 20 . 1 1 832 832 SER HA H 832 4.141 4.141 3.989 0.152 25870 13885 1 20 . 1 1 832 832 SER CA C 832 60.845 60.845 61.209 -0.364 25870 13886 1 20 . 1 1 832 832 SER CB C 832 62.613 62.613 62.859 -0.246 25870 13887 1 20 . 1 1 832 832 SER H H 832 7.714 7.714 7.570 0.144 25870 13888 1 20 . 1 1 833 833 PHE N N 833 121.847 121.847 119.300 2.547 25870 13889 1 20 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.258 -0.435 25870 13890 1 20 . 1 1 833 833 PHE CA C 833 58.627 58.627 57.611 1.016 25870 13891 1 20 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.357 0.770 25870 13892 1 20 . 1 1 833 833 PHE H H 833 7.740 7.740 7.715 0.025 25870 13893 1 20 . 1 1 834 834 LYS N N 834 118.759 118.759 120.591 -1.832 25870 13894 1 20 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.598 -0.009 25870 13895 1 20 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.221 1.163 25870 13896 1 20 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.930 0.213 25870 13897 1 20 . 1 1 834 834 LYS H H 834 7.843 7.843 7.917 -0.074 25870 13898 1 20 . 1 1 835 835 ILE N N 835 118.537 118.537 119.650 -1.113 25870 13899 1 20 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.747 -0.011 25870 13900 1 20 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.465 -0.751 25870 13901 1 20 . 1 1 835 835 ILE CB C 835 37.825 37.825 37.824 0.001 25870 13902 1 20 . 1 1 835 835 ILE H H 835 7.315 7.315 7.120 0.195 25870 13903 1 20 . 1 1 836 836 LEU N N 836 121.201 121.201 118.955 2.246 25870 13904 1 20 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.794 0.161 25870 13905 1 20 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.429 -0.355 25870 13906 1 20 . 1 1 836 836 LEU CB C 836 42.415 42.415 41.829 0.586 25870 13907 1 20 . 1 1 836 836 LEU H H 836 7.625 7.625 8.126 -0.501 25870 13908 1 20 . 1 1 837 837 ALA N N 837 119.184 119.184 118.593 0.591 25870 13909 1 20 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.887 0.008 25870 13910 1 20 . 1 1 837 837 ALA CA C 837 53.301 53.301 54.024 -0.723 25870 13911 1 20 . 1 1 837 837 ALA CB C 837 19.338 19.338 18.851 0.487 25870 13912 1 20 . 1 1 837 837 ALA H H 837 8.099 8.099 7.438 0.661 25870 13913 1 20 . 1 1 838 838 GLY N N 838 107.030 107.030 106.832 0.198 25870 13914 1 20 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.757 0.161 25870 13915 1 20 . 1 1 838 838 GLY H H 838 7.676 7.676 8.263 -0.587 25870 13916 1 20 . 1 1 839 839 ASP N N 839 122.291 122.291 124.232 -1.941 25870 13917 1 20 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.839 -0.362 25870 13918 1 20 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.189 1.322 25870 13919 1 20 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.410 -1.229 25870 13920 1 20 . 1 1 839 839 ASP H H 839 8.704 8.704 8.080 0.624 25870 13921 1 20 . 1 1 840 840 LYS N N 840 117.582 117.582 120.056 -2.474 25870 13922 1 20 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.529 -0.228 25870 13923 1 20 . 1 1 840 840 LYS CA C 840 55.780 55.780 55.466 0.314 25870 13924 1 20 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.758 -0.048 25870 13925 1 20 . 1 1 840 840 LYS H H 840 7.583 7.583 7.434 0.149 25870 13926 1 20 . 1 1 841 841 ASN N N 841 116.678 116.678 116.310 0.368 25870 13927 1 20 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.666 -0.055 25870 13928 1 20 . 1 1 841 841 ASN CA C 841 53.466 53.466 53.521 -0.055 25870 13929 1 20 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.102 0.053 25870 13930 1 20 . 1 1 841 841 ASN H H 841 8.693 8.693 8.836 -0.143 25870 13931 1 20 . 1 1 842 842 TYR N N 842 112.236 112.236 114.433 -2.197 25870 13932 1 20 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.850 0.136 25870 13933 1 20 . 1 1 842 842 TYR CA C 842 54.918 54.918 55.995 -1.077 25870 13934 1 20 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.583 0.012 25870 13935 1 20 . 1 1 842 842 TYR H H 842 6.637 6.637 7.300 -0.663 25870 13936 1 20 . 1 1 843 843 ILE N N 843 115.475 115.475 121.823 -6.348 25870 13937 1 20 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.539 0.253 25870 13938 1 20 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.266 0.692 25870 13939 1 20 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.870 0.139 25870 13940 1 20 . 1 1 843 843 ILE H H 843 8.630 8.630 9.239 -0.609 25870 13941 1 20 . 1 1 844 844 THR N N 844 117.169 117.169 118.517 -1.348 25870 13942 1 20 . 1 1 844 844 THR HA H 844 5.370 5.370 5.219 0.151 25870 13943 1 20 . 1 1 844 844 THR CA C 844 60.177 60.177 60.612 -0.435 25870 13944 1 20 . 1 1 844 844 THR CB C 844 71.088 71.088 70.629 0.458 25870 13945 1 20 . 1 1 844 844 THR H H 844 9.330 9.330 9.287 0.043 25870 13946 1 20 . 1 1 845 845 MET N N 845 119.860 119.860 120.285 -0.425 25870 13947 1 20 . 1 1 845 845 MET HA H 845 3.824 3.824 4.043 -0.219 25870 13948 1 20 . 1 1 845 845 MET CA C 845 60.321 60.321 60.455 -0.134 25870 13949 1 20 . 1 1 845 845 MET CB C 845 33.030 33.030 32.304 0.726 25870 13950 1 20 . 1 1 845 845 MET H H 845 8.556 8.556 8.822 -0.266 25870 13951 1 20 . 1 1 846 846 ASP N N 846 116.363 116.363 117.121 -0.758 25870 13952 1 20 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.482 -0.202 25870 13953 1 20 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.158 1.246 25870 13954 1 20 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.264 0.320 25870 13955 1 20 . 1 1 846 846 ASP H H 846 8.377 8.377 8.689 -0.312 25870 13956 1 20 . 1 1 847 847 GLU N N 847 120.577 120.577 118.346 2.231 25870 13957 1 20 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.197 -0.343 25870 13958 1 20 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.437 1.220 25870 13959 1 20 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.178 -0.518 25870 13960 1 20 . 1 1 847 847 GLU H H 847 7.855 7.855 7.723 0.132 25870 13961 1 20 . 1 1 848 848 LEU N N 848 118.714 118.714 120.227 -1.513 25870 13962 1 20 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.118 -0.296 25870 13963 1 20 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.662 1.063 25870 13964 1 20 . 1 1 848 848 LEU CB C 848 42.457 42.457 42.216 0.241 25870 13965 1 20 . 1 1 848 848 LEU H H 848 7.849 7.849 7.571 0.278 25870 13966 1 20 . 1 1 849 849 ARG N N 849 113.972 113.972 115.156 -1.184 25870 13967 1 20 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.493 -0.569 25870 13968 1 20 . 1 1 849 849 ARG CA C 849 58.595 58.595 56.995 1.600 25870 13969 1 20 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.119 0.982 25870 13970 1 20 . 1 1 849 849 ARG H H 849 8.053 8.053 7.771 0.282 25870 13971 1 20 . 1 1 850 850 ARG N N 850 118.178 118.178 118.212 -0.034 25870 13972 1 20 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.432 -0.239 25870 13973 1 20 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.448 0.797 25870 13974 1 20 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.880 -0.760 25870 13975 1 20 . 1 1 850 850 ARG H H 850 7.743 7.743 7.951 -0.208 25870 13976 1 20 . 1 1 851 851 GLU N N 851 115.518 115.518 118.232 -2.714 25870 13977 1 20 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.408 -0.058 25870 13978 1 20 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.065 -0.179 25870 13979 1 20 . 1 1 851 851 GLU CB C 851 31.590 31.590 31.961 -0.371 25870 13980 1 20 . 1 1 851 851 GLU H H 851 7.596 7.596 7.766 -0.170 25870 13981 1 20 . 1 1 852 852 LEU N N 852 119.148 119.148 121.242 -2.094 25870 13982 1 20 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.354 -0.460 25870 13983 1 20 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.447 0.727 25870 13984 1 20 . 1 1 852 852 LEU CB C 852 42.469 42.469 42.123 0.346 25870 13985 1 20 . 1 1 852 852 LEU H H 852 7.890 7.890 7.927 -0.037 25870 13986 1 20 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.480 -0.133 25870 13987 1 20 . 1 1 853 853 PRO CA C 853 65.119 65.119 63.958 1.161 25870 13988 1 20 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.212 1.419 25870 13989 1 20 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.540 -0.270 25870 13990 1 20 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.922 4.415 25870 13991 1 20 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.157 -0.901 25870 13992 1 20 . 1 1 855 855 ASP N N 855 114.865 114.865 119.012 -4.147 25870 13993 1 20 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.285 0.064 25870 13994 1 20 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.553 -0.640 25870 13995 1 20 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.126 -0.882 25870 13996 1 20 . 1 1 855 855 ASP H H 855 8.801 8.801 8.303 0.498 25870 13997 1 20 . 1 1 856 856 GLN N N 856 121.465 121.465 118.885 2.580 25870 13998 1 20 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.270 -0.071 25870 13999 1 20 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.603 -1.286 25870 14000 1 20 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.169 1.078 25870 14001 1 20 . 1 1 856 856 GLN H H 856 7.472 7.472 8.523 -1.051 25870 14002 1 20 . 1 1 857 857 ALA N N 857 122.805 122.805 121.927 0.878 25870 14003 1 20 . 1 1 857 857 ALA HA H 857 3.799 3.799 4.008 -0.209 25870 14004 1 20 . 1 1 857 857 ALA CA C 857 56.303 56.303 55.707 0.596 25870 14005 1 20 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.170 -0.226 25870 14006 1 20 . 1 1 857 857 ALA H H 857 8.882 8.882 8.269 0.613 25870 14007 1 20 . 1 1 858 858 GLU N N 858 114.094 114.094 118.975 -4.881 25870 14008 1 20 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.036 -0.012 25870 14009 1 20 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.765 -0.083 25870 14010 1 20 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.027 -0.388 25870 14011 1 20 . 1 1 858 858 GLU H H 858 8.155 8.155 7.934 0.221 25870 14012 1 20 . 1 1 859 859 TYR N N 859 120.665 120.665 122.347 -1.682 25870 14013 1 20 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.179 -0.095 25870 14014 1 20 . 1 1 859 859 TYR CA C 859 61.006 61.006 60.833 0.173 25870 14015 1 20 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.145 0.542 25870 14016 1 20 . 1 1 859 859 TYR H H 859 7.708 7.708 8.275 -0.567 25870 14017 1 20 . 1 1 860 860 CYS N N 860 115.812 115.812 117.399 -1.587 25870 14018 1 20 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.448 0.710 25870 14019 1 20 . 1 1 860 860 CYS CA C 860 64.254 64.254 63.855 0.399 25870 14020 1 20 . 1 1 860 860 CYS CB C 860 27.304 27.304 27.093 0.211 25870 14021 1 20 . 1 1 860 860 CYS H H 860 8.113 8.113 7.923 0.190 25870 14022 1 20 . 1 1 861 861 ILE N N 861 120.078 120.078 120.097 -0.019 25870 14023 1 20 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.667 -0.328 25870 14024 1 20 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.416 0.227 25870 14025 1 20 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.709 1.006 25870 14026 1 20 . 1 1 861 861 ILE H H 861 8.453 8.453 8.016 0.437 25870 14027 1 20 . 1 1 862 862 ALA N N 862 116.691 116.691 122.758 -6.067 25870 14028 1 20 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.080 0.129 25870 14029 1 20 . 1 1 862 862 ALA CA C 862 53.222 53.222 55.153 -1.931 25870 14030 1 20 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.747 0.255 25870 14031 1 20 . 1 1 862 862 ALA H H 862 7.307 7.307 8.436 -1.129 25870 14032 1 20 . 1 1 863 863 ARG N N 863 117.226 117.226 116.121 1.105 25870 14033 1 20 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.379 -0.105 25870 14034 1 20 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.792 -0.741 25870 14035 1 20 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.631 0.758 25870 14036 1 20 . 1 1 863 863 ARG H H 863 7.358 7.358 7.600 -0.242 25870 14037 1 20 . 1 1 864 864 MET N N 864 117.583 117.583 118.472 -0.889 25870 14038 1 20 . 1 1 864 864 MET HA H 864 4.561 4.561 4.393 0.168 25870 14039 1 20 . 1 1 864 864 MET CA C 864 54.927 54.927 55.842 -0.915 25870 14040 1 20 . 1 1 864 864 MET CB C 864 37.418 37.418 34.450 2.968 25870 14041 1 20 . 1 1 864 864 MET H H 864 7.153 7.153 7.372 -0.219 25870 14042 1 20 . 1 1 865 865 ALA N N 865 124.643 124.643 125.564 -0.921 25870 14043 1 20 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.651 -0.785 25870 14044 1 20 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.665 -0.471 25870 14045 1 20 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.624 0.023 25870 14046 1 20 . 1 1 865 865 ALA H H 865 8.557 8.557 8.143 0.414 25870 14047 1 20 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.550 -0.054 25870 14048 1 20 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.844 -0.120 25870 14049 1 20 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.400 1.580 25870 14050 1 20 . 1 1 867 867 TYR N N 867 122.461 122.461 126.538 -4.077 25870 14051 1 20 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.469 0.259 25870 14052 1 20 . 1 1 867 867 TYR CA C 867 57.096 57.096 57.675 -0.579 25870 14053 1 20 . 1 1 867 867 TYR CB C 867 39.175 39.175 39.165 0.010 25870 14054 1 20 . 1 1 867 867 TYR H H 867 8.128 8.128 8.193 -0.065 25870 14055 1 20 . 1 1 868 868 THR HA H 868 4.351 4.351 4.481 -0.130 25870 14056 1 20 . 1 1 868 868 THR CA C 868 60.271 60.271 60.797 -0.526 25870 14057 1 20 . 1 1 868 868 THR CB C 868 68.737 68.737 71.078 -2.341 25870 14058 1 20 . 1 1 869 869 GLY CA C 869 44.914 44.914 45.189 -0.275 25870 14059 1 20 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.475 -0.146 25870 14060 1 20 . 1 1 870 870 PRO CA C 870 64.697 64.697 63.875 0.822 25870 14061 1 20 . 1 1 870 870 PRO CB C 870 31.579 31.579 31.959 -0.380 25870 14062 1 20 . 1 1 871 871 ASP N N 871 116.207 116.207 117.330 -1.123 25870 14063 1 20 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.625 -0.021 25870 14064 1 20 . 1 1 871 871 ASP CA C 871 52.749 52.749 54.677 -1.928 25870 14065 1 20 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.727 -1.798 25870 14066 1 20 . 1 1 871 871 ASP H H 871 9.267 9.267 8.304 0.963 25870 14067 1 20 . 1 1 872 872 SER N N 872 112.349 112.349 115.983 -3.634 25870 14068 1 20 . 1 1 872 872 SER HA H 872 3.497 3.497 4.169 -0.672 25870 14069 1 20 . 1 1 872 872 SER CA C 872 59.065 59.065 57.903 1.162 25870 14070 1 20 . 1 1 872 872 SER CB C 872 63.125 63.125 64.466 -1.341 25870 14071 1 20 . 1 1 872 872 SER H H 872 7.487 7.487 7.473 0.014 25870 14072 1 20 . 1 1 873 873 VAL N N 873 113.567 113.567 113.907 -0.340 25870 14073 1 20 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.577 0.152 25870 14074 1 20 . 1 1 873 873 VAL CA C 873 58.044 58.044 57.753 0.291 25870 14075 1 20 . 1 1 873 873 VAL CB C 873 32.911 32.911 33.145 -0.234 25870 14076 1 20 . 1 1 873 873 VAL H H 873 6.411 6.411 7.916 -1.505 25870 14077 1 20 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.446 -0.150 25870 14078 1 20 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.493 0.841 25870 14079 1 20 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.980 -0.465 25870 14080 1 20 . 1 1 875 875 GLY N N 875 112.118 112.118 110.657 1.461 25870 14081 1 20 . 1 1 875 875 GLY CA C 875 45.557 45.557 45.087 0.470 25870 14082 1 20 . 1 1 875 875 GLY H H 875 8.800 8.800 8.551 0.249 25870 14083 1 20 . 1 1 876 876 ALA N N 876 120.262 120.262 122.577 -2.315 25870 14084 1 20 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.638 -1.538 25870 14085 1 20 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.580 2.493 25870 14086 1 20 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.980 -1.472 25870 14087 1 20 . 1 1 876 876 ALA H H 876 7.762 7.762 7.779 -0.017 25870 14088 1 20 . 1 1 877 877 LEU N N 877 125.695 125.695 121.044 4.651 25870 14089 1 20 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.268 -0.492 25870 14090 1 20 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.743 0.526 25870 14091 1 20 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.133 -2.334 25870 14092 1 20 . 1 1 877 877 LEU H H 877 9.595 9.595 9.312 0.283 25870 14093 1 20 . 1 1 878 878 ASP N N 878 119.823 119.823 121.408 -1.585 25870 14094 1 20 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.443 0.436 25870 14095 1 20 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.167 -0.170 25870 14096 1 20 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.309 -0.528 25870 14097 1 20 . 1 1 878 878 ASP H H 878 9.031 9.031 8.221 0.810 25870 14098 1 20 . 1 1 879 879 TYR N N 879 126.556 126.556 123.534 3.022 25870 14099 1 20 . 1 1 879 879 TYR HA H 879 4.591 4.591 3.849 0.742 25870 14100 1 20 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.576 -0.180 25870 14101 1 20 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.290 0.031 25870 14102 1 20 . 1 1 879 879 TYR H H 879 7.456 7.456 7.832 -0.376 25870 14103 1 20 . 1 1 880 880 MET N N 880 119.958 119.958 114.508 5.450 25870 14104 1 20 . 1 1 880 880 MET HA H 880 4.605 4.605 4.711 -0.106 25870 14105 1 20 . 1 1 880 880 MET CA C 880 56.044 56.044 57.110 -1.066 25870 14106 1 20 . 1 1 880 880 MET CB C 880 30.101 30.101 33.226 -3.125 25870 14107 1 20 . 1 1 880 880 MET H H 880 7.627 7.627 7.327 0.300 25870 14108 1 20 . 1 1 881 881 SER N N 881 114.328 114.328 115.810 -1.482 25870 14109 1 20 . 1 1 881 881 SER HA H 881 4.471 4.471 4.596 -0.125 25870 14110 1 20 . 1 1 881 881 SER CA C 881 58.917 58.917 57.073 1.844 25870 14111 1 20 . 1 1 881 881 SER CB C 881 64.447 64.447 63.688 0.759 25870 14112 1 20 . 1 1 881 881 SER H H 881 7.726 7.726 7.939 -0.213 25870 14113 1 20 . 1 1 882 882 PHE N N 882 122.735 122.735 119.835 2.900 25870 14114 1 20 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.331 0.391 25870 14115 1 20 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.426 1.805 25870 14116 1 20 . 1 1 882 882 PHE CB C 882 40.285 40.285 38.988 1.297 25870 14117 1 20 . 1 1 882 882 PHE H H 882 7.385 7.385 7.298 0.087 25870 14118 1 20 . 1 1 883 883 SER N N 883 120.156 120.156 116.496 3.660 25870 14119 1 20 . 1 1 883 883 SER HA H 883 4.299 4.299 4.392 -0.093 25870 14120 1 20 . 1 1 883 883 SER CA C 883 57.280 57.280 57.608 -0.328 25870 14121 1 20 . 1 1 883 883 SER CB C 883 64.601 64.601 63.432 1.169 25870 14122 1 20 . 1 1 883 883 SER H H 883 7.472 7.472 8.617 -1.145 25870 14123 1 20 . 1 1 884 884 THR N N 884 110.683 110.683 122.827 -12.144 25870 14124 1 20 . 1 1 884 884 THR HA H 884 3.966 3.966 4.185 -0.219 25870 14125 1 20 . 1 1 884 884 THR CA C 884 63.465 63.465 63.435 0.030 25870 14126 1 20 . 1 1 884 884 THR CB C 884 68.899 68.899 68.400 0.499 25870 14127 1 20 . 1 1 884 884 THR H H 884 7.996 7.996 8.616 -0.620 25870 14128 1 20 . 1 1 885 885 ALA N N 885 125.456 125.456 122.845 2.611 25870 14129 1 20 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.385 -0.149 25870 14130 1 20 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.435 0.595 25870 14131 1 20 . 1 1 885 885 ALA CB C 885 19.225 19.225 19.032 0.193 25870 14132 1 20 . 1 1 885 885 ALA H H 885 7.905 7.905 7.551 0.354 25870 14133 1 20 . 1 1 886 886 LEU N N 886 120.638 120.638 117.750 2.888 25870 14134 1 20 . 1 1 886 886 LEU HA H 886 4.002 4.002 3.771 0.231 25870 14135 1 20 . 1 1 886 886 LEU CA C 886 55.462 55.462 56.215 -0.753 25870 14136 1 20 . 1 1 886 886 LEU CB C 886 42.265 42.265 40.628 1.637 25870 14137 1 20 . 1 1 886 886 LEU H H 886 8.079 8.079 7.318 0.761 25870 14138 1 20 . 1 1 887 887 TYR N N 887 121.526 121.526 116.986 4.540 25870 14139 1 20 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.602 -0.246 25870 14140 1 20 . 1 1 887 887 TYR CA C 887 58.750 58.750 57.424 1.326 25870 14141 1 20 . 1 1 887 887 TYR CB C 887 38.569 38.569 37.426 1.143 25870 14142 1 20 . 1 1 887 887 TYR H H 887 8.267 8.267 7.694 0.573 25870 14143 1 20 . 1 1 888 888 GLY N N 888 112.379 112.379 107.962 4.417 25870 14144 1 20 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.876 0.214 25870 14145 1 20 . 1 1 888 888 GLY H H 888 8.087 8.087 7.231 0.856 25870 14146 1 20 . 1 1 889 889 GLU N N 889 120.255 120.255 120.666 -0.411 25870 14147 1 20 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.491 -0.235 25870 14148 1 20 . 1 1 889 889 GLU CA C 889 56.445 56.445 56.874 -0.429 25870 14149 1 20 . 1 1 889 889 GLU CB C 889 30.393 30.393 30.173 0.220 25870 14150 1 20 . 1 1 889 889 GLU H H 889 7.994 7.994 8.830 -0.836 25870 14151 1 20 . 1 1 890 890 SER N N 890 116.375 116.375 113.451 2.924 25870 14152 1 20 . 1 1 890 890 SER HA H 890 4.415 4.415 4.686 -0.271 25870 14153 1 20 . 1 1 890 890 SER CA C 890 58.204 58.204 57.071 1.133 25870 14154 1 20 . 1 1 890 890 SER CB C 890 63.913 63.913 65.547 -1.634 25870 14155 1 20 . 1 1 890 890 SER H H 890 8.329 8.329 7.549 0.780 25870 14156 1 20 . 1 1 891 891 ASP N N 891 123.017 123.017 119.873 3.144 25870 14157 1 20 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.820 -0.210 25870 14158 1 20 . 1 1 891 891 ASP CA C 891 54.371 54.371 54.328 0.042 25870 14159 1 20 . 1 1 891 891 ASP CB C 891 41.013 41.013 41.053 -0.040 25870 14160 1 20 . 1 1 891 891 ASP H H 891 8.394 8.394 8.453 -0.059 25870 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 139 2.828 -0.277 2.825 25870 2 1 1 "Average Difference" HA 160 0.350 0.045 0.348 25870 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25870 4 1 1 "Average Difference" CA 150 1.217 -0.227 1.200 25870 5 1 1 "Average Difference" CB 140 1.129 0.069 1.131 25870 6 1 1 "Average Difference" HN 139 0.624 -0.163 0.604 25870 7 1 2 "Average Difference" N 139 2.705 -0.330 2.695 25870 8 1 2 "Average Difference" HA 160 0.357 0.058 0.353 25870 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25870 10 1 2 "Average Difference" CA 150 1.230 -0.295 1.198 25870 11 1 2 "Average Difference" CB 140 1.081 0.125 1.078 25870 12 1 2 "Average Difference" HN 139 0.615 -0.164 0.595 25870 13 1 3 "Average Difference" N 139 2.789 -0.274 2.786 25870 14 1 3 "Average Difference" HA 160 0.363 0.044 0.361 25870 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25870 16 1 3 "Average Difference" CA 150 1.214 -0.241 1.194 25870 17 1 3 "Average Difference" CB 140 1.101 0.140 1.096 25870 18 1 3 "Average Difference" HN 139 0.616 -0.152 0.600 25870 19 1 4 "Average Difference" N 139 2.843 -0.315 2.836 25870 20 1 4 "Average Difference" HA 160 0.362 0.051 0.360 25870 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25870 22 1 4 "Average Difference" CA 150 1.227 -0.228 1.210 25870 23 1 4 "Average Difference" CB 140 1.118 0.174 1.109 25870 24 1 4 "Average Difference" HN 139 0.632 -0.162 0.614 25870 25 1 5 "Average Difference" N 139 2.762 -0.358 2.748 25870 26 1 5 "Average Difference" HA 160 0.356 0.061 0.352 25870 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25870 28 1 5 "Average Difference" CA 150 1.236 -0.270 1.210 25870 29 1 5 "Average Difference" CB 140 1.071 0.129 1.067 25870 30 1 5 "Average Difference" HN 139 0.641 -0.166 0.621 25870 31 1 6 "Average Difference" N 139 2.620 -0.308 2.611 25870 32 1 6 "Average Difference" HA 160 0.358 0.059 0.354 25870 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25870 34 1 6 "Average Difference" CA 150 1.230 -0.262 1.206 25870 35 1 6 "Average Difference" CB 140 1.035 0.108 1.033 25870 36 1 6 "Average Difference" HN 139 0.602 -0.150 0.585 25870 37 1 7 "Average Difference" N 139 2.779 -0.389 2.762 25870 38 1 7 "Average Difference" HA 160 0.357 0.053 0.354 25870 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25870 40 1 7 "Average Difference" CA 150 1.263 -0.341 1.220 25870 41 1 7 "Average Difference" CB 140 1.090 0.072 1.092 25870 42 1 7 "Average Difference" HN 139 0.621 -0.160 0.602 25870 43 1 8 "Average Difference" N 139 2.728 -0.292 2.722 25870 44 1 8 "Average Difference" HA 160 0.364 0.055 0.361 25870 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25870 46 1 8 "Average Difference" CA 150 1.241 -0.287 1.212 25870 47 1 8 "Average Difference" CB 140 1.137 0.130 1.134 25870 48 1 8 "Average Difference" HN 139 0.623 -0.176 0.600 25870 49 1 9 "Average Difference" N 139 2.735 -0.201 2.738 25870 50 1 9 "Average Difference" HA 160 0.341 0.058 0.337 25870 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25870 52 1 9 "Average Difference" CA 150 1.208 -0.234 1.189 25870 53 1 9 "Average Difference" CB 140 1.104 0.127 1.100 25870 54 1 9 "Average Difference" HN 139 0.615 -0.149 0.599 25870 55 1 10 "Average Difference" N 139 2.713 -0.251 2.711 25870 56 1 10 "Average Difference" HA 160 0.343 0.047 0.341 25870 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25870 58 1 10 "Average Difference" CA 150 1.204 -0.282 1.175 25870 59 1 10 "Average Difference" CB 140 1.073 0.121 1.070 25870 60 1 10 "Average Difference" HN 139 0.620 -0.164 0.600 25870 61 1 11 "Average Difference" N 139 2.809 -0.409 2.789 25870 62 1 11 "Average Difference" HA 160 0.372 0.052 0.369 25870 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25870 64 1 11 "Average Difference" CA 150 1.215 -0.230 1.197 25870 65 1 11 "Average Difference" CB 140 1.124 0.120 1.121 25870 66 1 11 "Average Difference" HN 139 0.626 -0.178 0.603 25870 67 1 12 "Average Difference" N 139 2.738 -0.545 2.693 25870 68 1 12 "Average Difference" HA 160 0.347 0.042 0.345 25870 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25870 70 1 12 "Average Difference" CA 150 1.162 -0.240 1.141 25870 71 1 12 "Average Difference" CB 140 1.088 0.163 1.079 25870 72 1 12 "Average Difference" HN 139 0.632 -0.188 0.606 25870 73 1 13 "Average Difference" N 139 3.027 -0.153 3.034 25870 74 1 13 "Average Difference" HA 160 0.361 0.061 0.357 25870 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25870 76 1 13 "Average Difference" CA 150 1.188 -0.266 1.162 25870 77 1 13 "Average Difference" CB 140 1.097 0.147 1.091 25870 78 1 13 "Average Difference" HN 139 0.643 -0.192 0.616 25870 79 1 14 "Average Difference" N 139 2.802 -0.350 2.791 25870 80 1 14 "Average Difference" HA 160 0.368 0.058 0.365 25870 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25870 82 1 14 "Average Difference" CA 150 1.212 -0.258 1.188 25870 83 1 14 "Average Difference" CB 140 1.114 0.189 1.102 25870 84 1 14 "Average Difference" HN 139 0.612 -0.175 0.588 25870 85 1 15 "Average Difference" N 139 2.852 -0.218 2.854 25870 86 1 15 "Average Difference" HA 160 0.371 0.053 0.368 25870 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25870 88 1 15 "Average Difference" CA 150 1.181 -0.253 1.158 25870 89 1 15 "Average Difference" CB 140 1.068 0.124 1.064 25870 90 1 15 "Average Difference" HN 139 0.623 -0.168 0.602 25870 91 1 16 "Average Difference" N 139 2.858 -0.348 2.847 25870 92 1 16 "Average Difference" HA 160 0.356 0.052 0.353 25870 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25870 94 1 16 "Average Difference" CA 150 1.184 -0.257 1.160 25870 95 1 16 "Average Difference" CB 140 1.111 0.118 1.108 25870 96 1 16 "Average Difference" HN 139 0.662 -0.186 0.638 25870 97 1 17 "Average Difference" N 139 2.747 -0.188 2.751 25870 98 1 17 "Average Difference" HA 160 0.359 0.052 0.357 25870 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25870 100 1 17 "Average Difference" CA 150 1.202 -0.297 1.169 25870 101 1 17 "Average Difference" CB 140 1.064 0.180 1.052 25870 102 1 17 "Average Difference" HN 139 0.608 -0.164 0.587 25870 103 1 18 "Average Difference" N 139 2.951 -0.461 2.925 25870 104 1 18 "Average Difference" HA 160 0.351 0.028 0.351 25870 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25870 106 1 18 "Average Difference" CA 150 1.226 -0.227 1.209 25870 107 1 18 "Average Difference" CB 140 1.133 0.149 1.127 25870 108 1 18 "Average Difference" HN 139 0.638 -0.192 0.610 25870 109 1 19 "Average Difference" N 139 2.833 -0.325 2.825 25870 110 1 19 "Average Difference" HA 160 0.340 0.046 0.338 25870 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25870 112 1 19 "Average Difference" CA 150 1.182 -0.224 1.165 25870 113 1 19 "Average Difference" CB 140 1.074 0.105 1.072 25870 114 1 19 "Average Difference" HN 139 0.580 -0.149 0.563 25870 115 1 20 "Average Difference" N 139 2.879 -0.327 2.871 25870 116 1 20 "Average Difference" HA 160 0.361 0.041 0.360 25870 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25870 118 1 20 "Average Difference" CA 150 1.191 -0.231 1.172 25870 119 1 20 "Average Difference" CB 140 1.031 0.144 1.025 25870 120 1 20 "Average Difference" HN 139 0.641 -0.176 0.618 25870 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 25870 _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 1 742 742 SER HA H 742 4.525 4.525 4.326 0.199 25870 2 1 . 1 1 742 742 SER CA C 742 58.148 58.148 59.204 -1.056 25870 3 1 . 1 1 742 742 SER CB C 742 63.791 63.791 63.565 0.226 25870 4 1 . 1 1 743 743 ILE N N 743 122.172 122.172 122.380 -0.208 25870 5 1 . 1 1 743 743 ILE HA H 743 4.362 4.362 4.097 0.265 25870 6 1 . 1 1 743 743 ILE CA C 743 60.421 60.421 61.760 -1.339 25870 7 1 . 1 1 743 743 ILE CB C 743 39.166 39.166 38.961 0.205 25870 8 1 . 1 1 743 743 ILE H H 743 8.132 8.132 8.091 0.041 25870 9 1 . 1 1 744 744 SER N N 744 123.144 123.144 121.391 1.753 25870 10 1 . 1 1 744 744 SER HA H 744 4.449 4.449 4.633 -0.184 25870 11 1 . 1 1 744 744 SER CA C 744 57.463 57.463 57.002 0.461 25870 12 1 . 1 1 744 744 SER CB C 744 65.219 65.219 65.145 0.074 25870 13 1 . 1 1 744 744 SER H H 744 8.848 8.848 8.452 0.396 25870 14 1 . 1 1 745 745 GLN N N 745 121.619 121.619 122.699 -1.080 25870 15 1 . 1 1 745 745 GLN HA H 745 3.952 3.952 4.127 -0.175 25870 16 1 . 1 1 745 745 GLN CA C 745 58.768 58.768 59.123 -0.355 25870 17 1 . 1 1 745 745 GLN CB C 745 28.512 28.512 28.712 -0.200 25870 18 1 . 1 1 745 745 GLN H H 745 9.042 9.042 9.030 0.012 25870 19 1 . 1 1 746 746 GLU N N 746 118.648 118.648 119.383 -0.735 25870 20 1 . 1 1 746 746 GLU HA H 746 4.004 4.004 4.152 -0.148 25870 21 1 . 1 1 746 746 GLU CA C 746 60.223 60.223 58.964 1.259 25870 22 1 . 1 1 746 746 GLU CB C 746 28.854 28.854 29.347 -0.493 25870 23 1 . 1 1 746 746 GLU H H 746 8.721 8.721 7.995 0.726 25870 24 1 . 1 1 747 747 GLN N N 747 120.463 120.463 120.151 0.312 25870 25 1 . 1 1 747 747 GLN HA H 747 3.766 3.766 4.269 -0.503 25870 26 1 . 1 1 747 747 GLN CA C 747 58.306 58.306 58.843 -0.537 25870 27 1 . 1 1 747 747 GLN CB C 747 28.948 28.948 28.334 0.614 25870 28 1 . 1 1 747 747 GLN H H 747 7.838 7.838 8.429 -0.591 25870 29 1 . 1 1 748 748 MET N N 748 119.252 119.252 115.448 3.804 25870 30 1 . 1 1 748 748 MET HA H 748 4.200 4.200 4.461 -0.261 25870 31 1 . 1 1 748 748 MET CA C 748 58.096 58.096 59.157 -1.061 25870 32 1 . 1 1 748 748 MET CB C 748 30.900 30.900 32.355 -1.455 25870 33 1 . 1 1 748 748 MET H H 748 8.473 8.473 8.171 0.302 25870 34 1 . 1 1 749 749 ASN N N 749 117.740 117.740 118.680 -0.940 25870 35 1 . 1 1 749 749 ASN HA H 749 4.474 4.474 4.500 -0.027 25870 36 1 . 1 1 749 749 ASN CA C 749 55.795 55.795 55.905 -0.110 25870 37 1 . 1 1 749 749 ASN CB C 749 37.413 37.413 38.707 -1.294 25870 38 1 . 1 1 749 749 ASN H H 749 8.334 8.334 7.707 0.627 25870 39 1 . 1 1 750 750 GLU N N 750 122.848 122.848 119.324 3.524 25870 40 1 . 1 1 750 750 GLU HA H 750 4.204 4.204 4.151 0.053 25870 41 1 . 1 1 750 750 GLU CA C 750 59.341 59.341 58.447 0.894 25870 42 1 . 1 1 750 750 GLU CB C 750 29.184 29.184 29.590 -0.406 25870 43 1 . 1 1 750 750 GLU H H 750 7.838 7.838 8.391 -0.553 25870 44 1 . 1 1 751 751 PHE N N 751 120.177 120.177 122.882 -2.705 25870 45 1 . 1 1 751 751 PHE HA H 751 5.021 5.021 4.373 0.648 25870 46 1 . 1 1 751 751 PHE CA C 751 58.353 58.353 59.555 -1.202 25870 47 1 . 1 1 751 751 PHE CB C 751 37.797 37.797 39.486 -1.689 25870 48 1 . 1 1 751 751 PHE H H 751 8.785 8.785 8.623 0.162 25870 49 1 . 1 1 752 752 ARG N N 752 120.528 120.528 120.162 0.366 25870 50 1 . 1 1 752 752 ARG HA H 752 4.160 4.160 3.930 0.230 25870 51 1 . 1 1 752 752 ARG CA C 752 59.704 59.704 58.306 1.398 25870 52 1 . 1 1 752 752 ARG CB C 752 29.968 29.968 28.641 1.326 25870 53 1 . 1 1 752 752 ARG H H 752 9.016 9.016 8.082 0.934 25870 54 1 . 1 1 753 753 ALA N N 753 121.112 121.112 122.484 -1.372 25870 55 1 . 1 1 753 753 ALA HA H 753 4.245 4.245 4.457 -0.212 25870 56 1 . 1 1 753 753 ALA CA C 753 55.331 55.331 54.491 0.840 25870 57 1 . 1 1 753 753 ALA CB C 753 17.823 17.823 17.855 -0.032 25870 58 1 . 1 1 753 753 ALA H H 753 8.100 8.100 7.848 0.252 25870 59 1 . 1 1 754 754 SER N N 754 115.589 115.589 115.177 0.412 25870 60 1 . 1 1 754 754 SER HA H 754 4.452 4.452 4.224 0.228 25870 61 1 . 1 1 754 754 SER CA C 754 62.675 62.675 59.987 2.688 25870 62 1 . 1 1 754 754 SER CB C 754 63.359 63.359 62.656 0.703 25870 63 1 . 1 1 754 754 SER H H 754 8.391 8.391 7.858 0.533 25870 64 1 . 1 1 755 755 PHE N N 755 121.886 121.886 118.891 2.995 25870 65 1 . 1 1 755 755 PHE HA H 755 3.642 3.642 3.979 -0.337 25870 66 1 . 1 1 755 755 PHE CA C 755 61.964 61.964 59.042 2.921 25870 67 1 . 1 1 755 755 PHE CB C 755 39.822 39.822 38.540 1.282 25870 68 1 . 1 1 755 755 PHE H H 755 8.675 8.675 7.689 0.986 25870 69 1 . 1 1 756 756 ASN N N 756 113.618 113.618 113.516 0.102 25870 70 1 . 1 1 756 756 ASN HA H 756 4.427 4.427 4.179 0.248 25870 71 1 . 1 1 756 756 ASN CA C 756 55.611 55.611 52.573 3.038 25870 72 1 . 1 1 756 756 ASN CB C 756 37.838 37.838 38.837 -0.999 25870 73 1 . 1 1 756 756 ASN H H 756 8.593 8.593 7.638 0.955 25870 74 1 . 1 1 757 757 HIS N N 757 119.679 119.679 120.929 -1.250 25870 75 1 . 1 1 757 757 HIS HA H 757 4.079 4.079 4.274 -0.195 25870 76 1 . 1 1 757 757 HIS CA C 757 59.344 59.344 58.884 0.460 25870 77 1 . 1 1 757 757 HIS CB C 757 29.889 29.889 30.152 -0.263 25870 78 1 . 1 1 757 757 HIS H H 757 8.139 8.139 7.527 0.612 25870 79 1 . 1 1 758 758 PHE N N 758 113.051 113.051 116.431 -3.380 25870 80 1 . 1 1 758 758 PHE HA H 758 4.061 4.061 4.431 -0.370 25870 81 1 . 1 1 758 758 PHE CA C 758 60.697 60.697 58.269 2.428 25870 82 1 . 1 1 758 758 PHE CB C 758 38.735 38.735 40.473 -1.738 25870 83 1 . 1 1 758 758 PHE H H 758 7.585 7.585 7.497 0.088 25870 84 1 . 1 1 759 759 ASP N N 759 120.916 120.916 121.343 -0.427 25870 85 1 . 1 1 759 759 ASP HA H 759 4.509 4.509 4.447 0.062 25870 86 1 . 1 1 759 759 ASP CA C 759 52.171 52.171 54.914 -2.743 25870 87 1 . 1 1 759 759 ASP CB C 759 38.009 38.009 40.561 -2.552 25870 88 1 . 1 1 759 759 ASP H H 759 7.423 7.423 7.895 -0.472 25870 89 1 . 1 1 760 760 ARG N N 760 124.819 124.819 126.341 -1.522 25870 90 1 . 1 1 760 760 ARG HA H 760 3.768 3.768 4.057 -0.289 25870 91 1 . 1 1 760 760 ARG CA C 760 58.275 58.275 58.692 -0.417 25870 92 1 . 1 1 760 760 ARG CB C 760 30.249 30.249 30.635 -0.386 25870 93 1 . 1 1 760 760 ARG H H 760 7.781 7.781 8.314 -0.533 25870 94 1 . 1 1 761 761 ASP N N 761 113.673 113.673 113.480 0.193 25870 95 1 . 1 1 761 761 ASP HA H 761 4.483 4.483 4.712 -0.229 25870 96 1 . 1 1 761 761 ASP CA C 761 51.977 51.977 53.362 -1.385 25870 97 1 . 1 1 761 761 ASP CB C 761 39.522 39.522 40.983 -1.461 25870 98 1 . 1 1 761 761 ASP H H 761 7.821 7.821 8.068 -0.247 25870 99 1 . 1 1 762 762 HIS N N 762 114.966 114.966 116.612 -1.646 25870 100 1 . 1 1 762 762 HIS HA H 762 4.161 4.161 4.241 -0.080 25870 101 1 . 1 1 762 762 HIS CA C 762 56.618 56.618 56.930 -0.311 25870 102 1 . 1 1 762 762 HIS CB C 762 26.380 26.380 28.494 -2.114 25870 103 1 . 1 1 762 762 HIS H H 762 7.744 7.744 7.909 -0.165 25870 104 1 . 1 1 763 763 SER N N 763 115.077 115.077 113.968 1.109 25870 105 1 . 1 1 763 763 SER HA H 763 4.336 4.336 4.355 -0.019 25870 106 1 . 1 1 763 763 SER CA C 763 59.860 59.860 59.667 0.193 25870 107 1 . 1 1 763 763 SER CB C 763 65.192 65.192 64.143 1.049 25870 108 1 . 1 1 763 763 SER H H 763 8.726 8.726 8.426 0.300 25870 109 1 . 1 1 764 764 GLY N N 764 116.915 116.915 110.550 6.365 25870 110 1 . 1 1 764 764 GLY CA C 764 45.449 45.449 45.536 -0.087 25870 111 1 . 1 1 764 764 GLY H H 764 11.017 11.017 8.831 2.186 25870 112 1 . 1 1 765 765 THR N N 765 107.334 107.334 110.437 -3.103 25870 113 1 . 1 1 765 765 THR HA H 765 4.829 4.829 5.165 -0.336 25870 114 1 . 1 1 765 765 THR CA C 765 58.759 58.759 60.537 -1.778 25870 115 1 . 1 1 765 765 THR CB C 765 73.383 73.383 72.089 1.294 25870 116 1 . 1 1 765 765 THR H H 765 7.693 7.693 8.015 -0.322 25870 117 1 . 1 1 766 766 LEU N N 766 124.664 124.664 124.289 0.375 25870 118 1 . 1 1 766 766 LEU HA H 766 4.900 4.900 4.747 0.153 25870 119 1 . 1 1 766 766 LEU CA C 766 52.339 52.339 53.805 -1.466 25870 120 1 . 1 1 766 766 LEU CB C 766 42.339 42.339 43.154 -0.815 25870 121 1 . 1 1 766 766 LEU H H 766 9.209 9.209 8.713 0.496 25870 122 1 . 1 1 767 767 GLY N N 767 112.024 112.024 111.743 0.281 25870 123 1 . 1 1 767 767 GLY CA C 767 44.123 44.123 43.841 0.282 25870 124 1 . 1 1 767 767 GLY H H 767 8.910 8.910 8.961 -0.051 25870 125 1 . 1 1 768 768 PRO HA H 768 4.318 4.318 4.546 -0.228 25870 126 1 . 1 1 768 768 PRO CA C 768 67.127 67.127 66.172 0.955 25870 127 1 . 1 1 768 768 PRO CB C 768 32.029 32.029 32.099 -0.070 25870 128 1 . 1 1 769 769 GLU N N 769 115.246 115.246 117.757 -2.511 25870 129 1 . 1 1 769 769 GLU HA H 769 3.971 3.971 4.090 -0.119 25870 130 1 . 1 1 769 769 GLU CA C 769 59.621 59.621 58.837 0.784 25870 131 1 . 1 1 769 769 GLU CB C 769 28.628 28.628 28.976 -0.348 25870 132 1 . 1 1 769 769 GLU H H 769 8.622 8.622 9.003 -0.381 25870 133 1 . 1 1 770 770 GLU N N 770 121.127 121.127 118.477 2.650 25870 134 1 . 1 1 770 770 GLU HA H 770 4.272 4.272 4.231 0.041 25870 135 1 . 1 1 770 770 GLU CA C 770 58.497 58.497 58.535 -0.038 25870 136 1 . 1 1 770 770 GLU CB C 770 31.372 31.372 29.933 1.439 25870 137 1 . 1 1 770 770 GLU H H 770 7.493 7.493 7.995 -0.502 25870 138 1 . 1 1 771 771 PHE N N 771 117.688 117.688 122.176 -4.488 25870 139 1 . 1 1 771 771 PHE HA H 771 4.355 4.355 4.281 0.073 25870 140 1 . 1 1 771 771 PHE CA C 771 58.625 58.625 60.671 -2.046 25870 141 1 . 1 1 771 771 PHE CB C 771 38.810 38.810 39.415 -0.605 25870 142 1 . 1 1 771 771 PHE H H 771 9.110 9.110 8.942 0.168 25870 143 1 . 1 1 772 772 LYS N N 772 119.789 119.789 118.537 1.252 25870 144 1 . 1 1 772 772 LYS HA H 772 3.313 3.313 3.680 -0.367 25870 145 1 . 1 1 772 772 LYS CA C 772 60.672 60.672 58.327 2.345 25870 146 1 . 1 1 772 772 LYS CB C 772 31.979 31.979 30.858 1.121 25870 147 1 . 1 1 772 772 LYS H H 772 8.594 8.594 8.076 0.518 25870 148 1 . 1 1 773 773 ALA N N 773 118.461 118.461 120.644 -2.183 25870 149 1 . 1 1 773 773 ALA HA H 773 3.881 3.881 4.011 -0.130 25870 150 1 . 1 1 773 773 ALA CA C 773 55.013 55.013 53.802 1.211 25870 151 1 . 1 1 773 773 ALA CB C 773 17.629 17.629 18.927 -1.298 25870 152 1 . 1 1 773 773 ALA H H 773 7.231 7.231 7.487 -0.256 25870 153 1 . 1 1 774 774 CYS N N 774 120.913 120.913 119.095 1.818 25870 154 1 . 1 1 774 774 CYS HA H 774 2.435 2.435 2.914 -0.479 25870 155 1 . 1 1 774 774 CYS CA C 774 61.174 61.174 61.726 -0.552 25870 156 1 . 1 1 774 774 CYS CB C 774 26.215 26.215 26.818 -0.603 25870 157 1 . 1 1 774 774 CYS H H 774 7.498 7.498 7.649 -0.151 25870 158 1 . 1 1 775 775 LEU N N 775 119.201 119.201 118.677 0.524 25870 159 1 . 1 1 775 775 LEU HA H 775 3.766 3.766 3.549 0.217 25870 160 1 . 1 1 775 775 LEU CA C 775 57.932 57.932 56.374 1.558 25870 161 1 . 1 1 775 775 LEU CB C 775 40.950 40.950 41.107 -0.157 25870 162 1 . 1 1 775 775 LEU H H 775 8.372 8.372 7.592 0.780 25870 163 1 . 1 1 776 776 ILE N N 776 121.051 121.051 118.323 2.728 25870 164 1 . 1 1 776 776 ILE HA H 776 4.090 4.090 2.481 1.609 25870 165 1 . 1 1 776 776 ILE CA C 776 65.244 65.244 64.191 1.053 25870 166 1 . 1 1 776 776 ILE CB C 776 37.991 37.991 37.183 0.808 25870 167 1 . 1 1 776 776 ILE H H 776 8.358 8.358 6.677 1.681 25870 168 1 . 1 1 777 777 SER N N 777 119.109 119.109 113.831 5.278 25870 169 1 . 1 1 777 777 SER HA H 777 4.291 4.291 4.194 0.097 25870 170 1 . 1 1 777 777 SER CA C 777 61.725 61.725 60.165 1.560 25870 171 1 . 1 1 777 777 SER CB C 777 62.995 62.995 63.054 -0.059 25870 172 1 . 1 1 777 777 SER H H 777 7.822 7.822 7.340 0.482 25870 173 1 . 1 1 778 778 LEU N N 778 121.208 121.208 117.612 3.595 25870 174 1 . 1 1 778 778 LEU HA H 778 4.506 4.506 4.394 0.112 25870 175 1 . 1 1 778 778 LEU CA C 778 54.999 54.999 53.814 1.184 25870 176 1 . 1 1 778 778 LEU CB C 778 42.670 42.670 42.343 0.327 25870 177 1 . 1 1 778 778 LEU H H 778 7.671 7.671 7.086 0.585 25870 178 1 . 1 1 779 779 GLY N N 779 106.232 106.232 106.878 -0.646 25870 179 1 . 1 1 779 779 GLY CA C 779 45.287 45.287 45.073 0.214 25870 180 1 . 1 1 779 779 GLY H H 779 7.897 7.897 7.276 0.621 25870 181 1 . 1 1 780 780 TYR N N 780 120.772 120.772 118.612 2.160 25870 182 1 . 1 1 780 780 TYR HA H 780 4.142 4.142 4.582 -0.440 25870 183 1 . 1 1 780 780 TYR CA C 780 59.231 59.231 55.074 4.157 25870 184 1 . 1 1 780 780 TYR CB C 780 38.341 38.341 38.531 -0.190 25870 185 1 . 1 1 780 780 TYR H H 780 8.072 8.072 7.434 0.638 25870 186 1 . 1 1 781 781 ASP N N 781 124.304 124.304 118.207 6.097 25870 187 1 . 1 1 781 781 ASP HA H 781 4.665 4.665 4.674 -0.009 25870 188 1 . 1 1 781 781 ASP CA C 781 53.148 53.148 53.943 -0.795 25870 189 1 . 1 1 781 781 ASP CB C 781 39.804 39.804 40.555 -0.751 25870 190 1 . 1 1 781 781 ASP H H 781 8.862 8.862 9.097 -0.235 25870 191 1 . 1 1 782 782 ILE N N 782 122.271 122.271 112.794 9.477 25870 192 1 . 1 1 782 782 ILE HA H 782 4.341 4.341 4.417 -0.076 25870 193 1 . 1 1 782 782 ILE CA C 782 58.992 58.992 59.083 -0.091 25870 194 1 . 1 1 782 782 ILE CB C 782 37.907 37.907 40.688 -2.781 25870 195 1 . 1 1 782 782 ILE H H 782 7.344 7.344 6.929 0.415 25870 196 1 . 1 1 783 783 GLY N N 783 112.322 112.322 106.391 5.931 25870 197 1 . 1 1 783 783 GLY CA C 783 44.523 44.523 44.385 0.138 25870 198 1 . 1 1 783 783 GLY H H 783 8.122 8.122 8.121 0.001 25870 199 1 . 1 1 784 784 ASN N N 784 118.727 118.727 118.151 0.576 25870 200 1 . 1 1 784 784 ASN HA H 784 4.882 4.882 4.704 0.178 25870 201 1 . 1 1 784 784 ASN CA C 784 52.098 52.098 53.081 -0.983 25870 202 1 . 1 1 784 784 ASN CB C 784 37.424 37.424 38.474 -1.050 25870 203 1 . 1 1 784 784 ASN H H 784 8.452 8.452 8.611 -0.159 25870 204 1 . 1 1 785 785 ASP N N 785 119.826 119.826 120.358 -0.532 25870 205 1 . 1 1 785 785 ASP HA H 785 4.778 4.778 4.836 -0.058 25870 206 1 . 1 1 785 785 ASP CA C 785 52.164 52.164 52.151 0.013 25870 207 1 . 1 1 785 785 ASP CB C 785 39.657 39.657 41.738 -2.081 25870 208 1 . 1 1 785 785 ASP H H 785 8.145 8.145 7.775 0.370 25870 209 1 . 1 1 786 786 PRO HA H 786 4.271 4.271 4.307 -0.036 25870 210 1 . 1 1 786 786 PRO CA C 786 66.265 66.265 65.143 1.122 25870 211 1 . 1 1 786 786 PRO CB C 786 32.011 32.011 32.158 -0.146 25870 212 1 . 1 1 787 787 GLN N N 787 118.097 118.097 117.689 0.408 25870 213 1 . 1 1 787 787 GLN HA H 787 4.141 4.141 4.229 -0.089 25870 214 1 . 1 1 787 787 GLN CA C 787 59.115 59.115 58.116 0.999 25870 215 1 . 1 1 787 787 GLN CB C 787 27.732 27.732 28.379 -0.647 25870 216 1 . 1 1 787 787 GLN H H 787 8.409 8.409 8.594 -0.185 25870 217 1 . 1 1 788 788 GLY N N 788 113.421 113.421 108.481 4.940 25870 218 1 . 1 1 788 788 GLY CA C 788 47.317 47.317 46.722 0.595 25870 219 1 . 1 1 788 788 GLY H H 788 8.644 8.644 8.388 0.256 25870 220 1 . 1 1 789 789 GLU N N 789 121.223 121.223 121.543 -0.320 25870 221 1 . 1 1 789 789 GLU HA H 789 4.148 4.148 4.255 -0.107 25870 222 1 . 1 1 789 789 GLU CA C 789 59.344 59.344 59.322 0.022 25870 223 1 . 1 1 789 789 GLU CB C 789 29.435 29.435 29.465 -0.030 25870 224 1 . 1 1 789 789 GLU H H 789 8.514 8.514 8.502 0.012 25870 225 1 . 1 1 790 790 ALA N N 790 122.879 122.879 122.454 0.425 25870 226 1 . 1 1 790 790 ALA HA H 790 4.247 4.247 4.201 0.046 25870 227 1 . 1 1 790 790 ALA CA C 790 54.907 54.907 55.128 -0.221 25870 228 1 . 1 1 790 790 ALA CB C 790 17.780 17.780 18.406 -0.626 25870 229 1 . 1 1 790 790 ALA H H 790 8.024 8.024 7.612 0.412 25870 230 1 . 1 1 791 791 GLU N N 791 122.622 122.622 119.098 3.524 25870 231 1 . 1 1 791 791 GLU HA H 791 4.687 4.687 4.110 0.577 25870 232 1 . 1 1 791 791 GLU CA C 791 58.134 58.134 58.584 -0.450 25870 233 1 . 1 1 791 791 GLU CB C 791 29.061 29.061 29.477 -0.416 25870 234 1 . 1 1 791 791 GLU H H 791 8.280 8.280 7.802 0.478 25870 235 1 . 1 1 792 792 PHE N N 792 119.949 119.949 121.294 -1.345 25870 236 1 . 1 1 792 792 PHE HA H 792 4.038 4.038 4.226 -0.188 25870 237 1 . 1 1 792 792 PHE CA C 792 61.812 61.812 61.158 0.654 25870 238 1 . 1 1 792 792 PHE CB C 792 38.598 38.598 38.550 0.048 25870 239 1 . 1 1 792 792 PHE H H 792 8.722 8.722 8.799 -0.077 25870 240 1 . 1 1 793 793 ALA N N 793 119.652 119.652 121.492 -1.840 25870 241 1 . 1 1 793 793 ALA HA H 793 3.854 3.854 3.313 0.541 25870 242 1 . 1 1 793 793 ALA CA C 793 54.902 54.902 54.472 0.430 25870 243 1 . 1 1 793 793 ALA CB C 793 17.628 17.628 17.856 -0.227 25870 244 1 . 1 1 793 793 ALA H H 793 8.163 8.163 7.820 0.343 25870 245 1 . 1 1 794 794 ARG N N 794 121.092 121.092 119.330 1.762 25870 246 1 . 1 1 794 794 ARG HA H 794 3.910 3.910 4.000 -0.090 25870 247 1 . 1 1 794 794 ARG CA C 794 59.471 59.471 59.085 0.386 25870 248 1 . 1 1 794 794 ARG CB C 794 30.092 30.092 30.163 -0.071 25870 249 1 . 1 1 794 794 ARG H H 794 8.034 8.034 7.641 0.393 25870 250 1 . 1 1 795 795 ILE N N 795 121.394 121.394 120.442 0.952 25870 251 1 . 1 1 795 795 ILE HA H 795 3.388 3.388 3.750 -0.362 25870 252 1 . 1 1 795 795 ILE CA C 795 65.848 65.848 65.150 0.698 25870 253 1 . 1 1 795 795 ILE CB C 795 38.209 38.209 38.293 -0.084 25870 254 1 . 1 1 795 795 ILE H H 795 8.049 8.049 7.961 0.088 25870 255 1 . 1 1 796 796 MET N N 796 119.012 119.012 118.460 0.552 25870 256 1 . 1 1 796 796 MET HA H 796 4.155 4.155 3.926 0.229 25870 257 1 . 1 1 796 796 MET CA C 796 56.470 56.470 58.125 -1.655 25870 258 1 . 1 1 796 796 MET CB C 796 29.892 29.892 31.558 -1.666 25870 259 1 . 1 1 796 796 MET H H 796 8.589 8.589 8.212 0.377 25870 260 1 . 1 1 797 797 SER N N 797 114.132 114.132 112.663 1.469 25870 261 1 . 1 1 797 797 SER HA H 797 4.097 4.097 4.275 -0.178 25870 262 1 . 1 1 797 797 SER CA C 797 61.231 61.231 60.093 1.138 25870 263 1 . 1 1 797 797 SER CB C 797 62.895 62.895 63.556 -0.661 25870 264 1 . 1 1 797 797 SER H H 797 7.732 7.732 7.552 0.180 25870 265 1 . 1 1 798 798 ILE N N 798 120.873 120.873 116.529 4.344 25870 266 1 . 1 1 798 798 ILE HA H 798 3.818 3.818 4.161 -0.343 25870 267 1 . 1 1 798 798 ILE CA C 798 63.875 63.875 63.118 0.757 25870 268 1 . 1 1 798 798 ILE CB C 798 38.863 38.863 38.682 0.181 25870 269 1 . 1 1 798 798 ILE H H 798 7.352 7.352 7.719 -0.367 25870 270 1 . 1 1 799 799 VAL N N 799 110.552 110.552 113.538 -2.986 25870 271 1 . 1 1 799 799 VAL HA H 799 4.243 4.243 4.040 0.203 25870 272 1 . 1 1 799 799 VAL CA C 799 62.616 62.616 61.128 1.488 25870 273 1 . 1 1 799 799 VAL CB C 799 32.416 32.416 31.084 1.332 25870 274 1 . 1 1 799 799 VAL H H 799 7.648 7.648 7.792 -0.144 25870 275 1 . 1 1 800 800 ASP N N 800 119.435 119.435 119.603 -0.168 25870 276 1 . 1 1 800 800 ASP HA H 800 5.225 5.225 5.081 0.144 25870 277 1 . 1 1 800 800 ASP CA C 800 51.715 51.715 50.103 1.612 25870 278 1 . 1 1 800 800 ASP CB C 800 41.086 41.086 41.420 -0.334 25870 279 1 . 1 1 800 800 ASP H H 800 8.074 8.074 7.557 0.517 25870 280 1 . 1 1 801 801 PRO HA H 801 4.331 4.331 4.402 -0.071 25870 281 1 . 1 1 801 801 PRO CA C 801 64.819 64.819 63.954 0.865 25870 282 1 . 1 1 801 801 PRO CB C 801 31.689 31.689 31.944 -0.255 25870 283 1 . 1 1 802 802 ASN N N 802 115.164 115.164 116.130 -0.966 25870 284 1 . 1 1 802 802 ASN HA H 802 4.760 4.760 4.723 0.037 25870 285 1 . 1 1 802 802 ASN CA C 802 52.998 52.998 52.808 0.190 25870 286 1 . 1 1 802 802 ASN CB C 802 37.952 37.952 39.631 -1.678 25870 287 1 . 1 1 802 802 ASN H H 802 8.949 8.949 7.730 1.219 25870 288 1 . 1 1 803 803 ARG N N 803 117.446 117.446 116.186 1.260 25870 289 1 . 1 1 803 803 ARG HA H 803 3.830 3.830 4.204 -0.374 25870 290 1 . 1 1 803 803 ARG CA C 803 56.888 56.888 56.940 -0.052 25870 291 1 . 1 1 803 803 ARG CB C 803 26.354 26.354 27.211 -0.857 25870 292 1 . 1 1 803 803 ARG H H 803 7.958 7.958 7.966 -0.008 25870 293 1 . 1 1 804 804 LEU N N 804 123.307 123.307 116.474 6.833 25870 294 1 . 1 1 804 804 LEU HA H 804 4.156 4.156 4.693 -0.537 25870 295 1 . 1 1 804 804 LEU CA C 804 56.373 56.373 54.423 1.950 25870 296 1 . 1 1 804 804 LEU CB C 804 42.930 42.930 41.761 1.169 25870 297 1 . 1 1 804 804 LEU H H 804 10.591 10.591 8.083 2.508 25870 298 1 . 1 1 805 805 GLY N N 805 110.516 110.516 107.521 2.995 25870 299 1 . 1 1 805 805 GLY CA C 805 44.944 44.944 45.734 -0.790 25870 300 1 . 1 1 805 805 GLY H H 805 11.001 11.001 8.556 2.445 25870 301 1 . 1 1 806 806 VAL N N 806 109.840 109.840 114.900 -5.060 25870 302 1 . 1 1 806 806 VAL HA H 806 4.571 4.571 4.354 0.217 25870 303 1 . 1 1 806 806 VAL CA C 806 58.566 58.566 59.759 -1.193 25870 304 1 . 1 1 806 806 VAL CB C 806 36.853 36.853 34.985 1.868 25870 305 1 . 1 1 806 806 VAL H H 806 6.831 6.831 7.114 -0.283 25870 306 1 . 1 1 807 807 VAL N N 807 122.184 122.184 122.369 -0.185 25870 307 1 . 1 1 807 807 VAL HA H 807 4.167 4.167 4.395 -0.228 25870 308 1 . 1 1 807 807 VAL CA C 807 61.644 61.644 60.789 0.855 25870 309 1 . 1 1 807 807 VAL CB C 807 32.383 32.383 31.595 0.788 25870 310 1 . 1 1 807 807 VAL H H 807 9.007 9.007 8.827 0.180 25870 311 1 . 1 1 808 808 THR N N 808 117.391 117.391 117.650 -0.259 25870 312 1 . 1 1 808 808 THR HA H 808 4.593 4.593 4.647 -0.054 25870 313 1 . 1 1 808 808 THR CA C 808 60.615 60.615 58.798 1.817 25870 314 1 . 1 1 808 808 THR CB C 808 70.695 70.695 71.301 -0.606 25870 315 1 . 1 1 808 808 THR H H 808 7.925 7.925 7.583 0.342 25870 316 1 . 1 1 809 809 PHE N N 809 122.236 122.236 118.894 3.342 25870 317 1 . 1 1 809 809 PHE HA H 809 3.640 3.640 4.497 -0.857 25870 318 1 . 1 1 809 809 PHE CA C 809 61.749 61.749 61.313 0.436 25870 319 1 . 1 1 809 809 PHE CB C 809 38.177 38.177 37.530 0.647 25870 320 1 . 1 1 809 809 PHE H H 809 9.349 9.349 8.208 1.141 25870 321 1 . 1 1 810 810 GLN N N 810 116.788 116.788 116.906 -0.118 25870 322 1 . 1 1 810 810 GLN HA H 810 3.598 3.598 4.202 -0.604 25870 323 1 . 1 1 810 810 GLN CA C 810 58.582 58.582 57.795 0.787 25870 324 1 . 1 1 810 810 GLN CB C 810 28.199 28.199 28.502 -0.304 25870 325 1 . 1 1 810 810 GLN H H 810 8.572 8.572 7.815 0.757 25870 326 1 . 1 1 811 811 ALA N N 811 121.208 121.208 122.039 -0.831 25870 327 1 . 1 1 811 811 ALA HA H 811 4.119 4.119 4.195 -0.076 25870 328 1 . 1 1 811 811 ALA CA C 811 54.911 54.911 53.753 1.158 25870 329 1 . 1 1 811 811 ALA CB C 811 19.265 19.265 18.915 0.350 25870 330 1 . 1 1 811 811 ALA H H 811 7.667 7.667 7.643 0.024 25870 331 1 . 1 1 812 812 PHE N N 812 119.805 119.805 118.773 1.032 25870 332 1 . 1 1 812 812 PHE HA H 812 3.980 3.980 4.370 -0.390 25870 333 1 . 1 1 812 812 PHE CA C 812 61.740 61.740 62.116 -0.376 25870 334 1 . 1 1 812 812 PHE CB C 812 39.670 39.670 38.654 1.016 25870 335 1 . 1 1 812 812 PHE H H 812 8.400 8.400 8.305 0.095 25870 336 1 . 1 1 813 813 ILE N N 813 118.098 118.098 118.619 -0.521 25870 337 1 . 1 1 813 813 ILE HA H 813 3.146 3.146 4.002 -0.855 25870 338 1 . 1 1 813 813 ILE CA C 813 63.299 63.299 62.609 0.690 25870 339 1 . 1 1 813 813 ILE CB C 813 36.202 36.202 36.379 -0.177 25870 340 1 . 1 1 813 813 ILE H H 813 8.364 8.364 7.858 0.506 25870 341 1 . 1 1 814 814 ASP N N 814 123.528 123.528 120.527 3.001 25870 342 1 . 1 1 814 814 ASP HA H 814 4.196 4.196 4.359 -0.163 25870 343 1 . 1 1 814 814 ASP CA C 814 57.680 57.680 57.611 0.069 25870 344 1 . 1 1 814 814 ASP CB C 814 40.236 40.236 40.755 -0.519 25870 345 1 . 1 1 814 814 ASP H H 814 8.221 8.221 7.949 0.272 25870 346 1 . 1 1 815 815 PHE N N 815 120.584 120.584 119.874 0.710 25870 347 1 . 1 1 815 815 PHE HA H 815 4.129 4.129 4.432 -0.303 25870 348 1 . 1 1 815 815 PHE CA C 815 61.084 61.084 60.670 0.414 25870 349 1 . 1 1 815 815 PHE CB C 815 39.698 39.698 39.618 0.080 25870 350 1 . 1 1 815 815 PHE H H 815 7.887 7.887 7.849 0.038 25870 351 1 . 1 1 816 816 MET N N 816 116.960 116.960 119.165 -2.205 25870 352 1 . 1 1 816 816 MET HA H 816 3.782 3.782 4.081 -0.299 25870 353 1 . 1 1 816 816 MET CA C 816 55.662 55.662 57.085 -1.423 25870 354 1 . 1 1 816 816 MET CB C 816 30.033 30.033 31.599 -1.566 25870 355 1 . 1 1 816 816 MET H H 816 8.372 8.372 8.125 0.247 25870 356 1 . 1 1 817 817 SER N N 817 114.277 114.277 112.894 1.383 25870 357 1 . 1 1 817 817 SER HA H 817 4.194 4.194 4.340 -0.146 25870 358 1 . 1 1 817 817 SER CA C 817 60.521 60.521 60.235 0.286 25870 359 1 . 1 1 817 817 SER CB C 817 63.185 63.185 63.341 -0.156 25870 360 1 . 1 1 817 817 SER H H 817 8.074 8.074 8.335 -0.261 25870 361 1 . 1 1 818 818 ARG N N 818 121.493 121.493 120.898 0.595 25870 362 1 . 1 1 818 818 ARG HA H 818 4.124 4.124 4.128 -0.004 25870 363 1 . 1 1 818 818 ARG CA C 818 57.684 57.684 57.374 0.310 25870 364 1 . 1 1 818 818 ARG CB C 818 30.315 30.315 29.407 0.908 25870 365 1 . 1 1 818 818 ARG H H 818 7.288 7.288 7.941 -0.653 25870 366 1 . 1 1 819 819 GLU N N 819 119.737 119.737 118.231 1.506 25870 367 1 . 1 1 819 819 GLU HA H 819 4.101 4.101 4.093 0.008 25870 368 1 . 1 1 819 819 GLU CA C 819 57.066 57.066 58.631 -1.565 25870 369 1 . 1 1 819 819 GLU CB C 819 30.491 30.491 29.087 1.404 25870 370 1 . 1 1 819 819 GLU H H 819 8.045 8.045 7.643 0.402 25870 371 1 . 1 1 820 820 THR N N 820 112.128 112.128 109.886 2.242 25870 372 1 . 1 1 820 820 THR HA H 820 4.280 4.280 3.826 0.454 25870 373 1 . 1 1 820 820 THR CA C 820 62.055 62.055 62.623 -0.568 25870 374 1 . 1 1 820 820 THR CB C 820 69.828 69.828 68.781 1.047 25870 375 1 . 1 1 820 820 THR H H 820 7.760 7.760 7.376 0.384 25870 376 1 . 1 1 821 821 ALA N N 821 126.098 126.098 123.886 2.212 25870 377 1 . 1 1 821 821 ALA HA H 821 4.284 4.284 4.381 -0.097 25870 378 1 . 1 1 821 821 ALA CA C 821 52.726 52.726 51.080 1.646 25870 379 1 . 1 1 821 821 ALA CB C 821 19.304 19.304 20.653 -1.349 25870 380 1 . 1 1 821 821 ALA H H 821 7.957 7.957 7.313 0.644 25870 381 1 . 1 1 822 822 ASP N N 822 119.904 119.904 120.343 -0.439 25870 382 1 . 1 1 822 822 ASP HA H 822 4.613 4.613 4.642 -0.029 25870 383 1 . 1 1 822 822 ASP CA C 822 54.335 54.335 54.601 -0.266 25870 384 1 . 1 1 822 822 ASP CB C 822 41.032 41.032 41.831 -0.799 25870 385 1 . 1 1 822 822 ASP H H 822 8.352 8.352 8.371 -0.019 25870 386 1 . 1 1 823 823 THR N N 823 114.142 114.142 115.779 -1.637 25870 387 1 . 1 1 823 823 THR HA H 823 4.278 4.278 4.618 -0.340 25870 388 1 . 1 1 823 823 THR CA C 823 62.117 62.117 60.957 1.160 25870 389 1 . 1 1 823 823 THR CB C 823 69.584 69.584 71.725 -2.141 25870 390 1 . 1 1 823 823 THR H H 823 8.079 8.079 8.180 -0.101 25870 391 1 . 1 1 824 824 ASP N N 824 123.261 123.261 121.939 1.322 25870 392 1 . 1 1 824 824 ASP HA H 824 4.657 4.657 4.537 0.120 25870 393 1 . 1 1 824 824 ASP CA C 824 54.786 54.786 56.794 -2.008 25870 394 1 . 1 1 824 824 ASP CB C 824 41.085 41.085 40.956 0.129 25870 395 1 . 1 1 824 824 ASP H H 824 8.431 8.431 8.902 -0.471 25870 396 1 . 1 1 825 825 THR N N 825 114.932 114.932 112.960 1.972 25870 397 1 . 1 1 825 825 THR HA H 825 4.161 4.161 4.215 -0.054 25870 398 1 . 1 1 825 825 THR CA C 825 63.109 63.109 64.550 -1.441 25870 399 1 . 1 1 825 825 THR CB C 825 69.455 69.455 68.501 0.954 25870 400 1 . 1 1 825 825 THR H H 825 8.155 8.155 8.536 -0.381 25870 401 1 . 1 1 826 826 ALA N N 826 124.961 124.961 124.546 0.415 25870 402 1 . 1 1 826 826 ALA HA H 826 4.160 4.160 4.070 0.090 25870 403 1 . 1 1 826 826 ALA CA C 826 54.392 54.392 54.412 -0.020 25870 404 1 . 1 1 826 826 ALA CB C 826 18.610 18.610 18.238 0.372 25870 405 1 . 1 1 826 826 ALA H H 826 8.379 8.379 7.844 0.535 25870 406 1 . 1 1 827 827 ASP N N 827 117.765 117.765 117.898 -0.133 25870 407 1 . 1 1 827 827 ASP HA H 827 4.425 4.425 4.339 0.086 25870 408 1 . 1 1 827 827 ASP CA C 827 56.051 56.051 57.144 -1.093 25870 409 1 . 1 1 827 827 ASP CB C 827 40.559 40.559 40.997 -0.439 25870 410 1 . 1 1 827 827 ASP H H 827 8.250 8.250 7.874 0.376 25870 411 1 . 1 1 828 828 GLN N N 828 120.523 120.523 118.011 2.512 25870 412 1 . 1 1 828 828 GLN HA H 828 4.091 4.091 4.095 -0.004 25870 413 1 . 1 1 828 828 GLN CA C 828 57.814 57.814 58.197 -0.383 25870 414 1 . 1 1 828 828 GLN CB C 828 28.549 28.549 28.822 -0.273 25870 415 1 . 1 1 828 828 GLN H H 828 8.076 8.076 7.729 0.347 25870 416 1 . 1 1 829 829 VAL N N 829 120.970 120.970 120.017 0.953 25870 417 1 . 1 1 829 829 VAL HA H 829 3.525 3.525 3.814 -0.289 25870 418 1 . 1 1 829 829 VAL CA C 829 65.194 65.194 64.346 0.848 25870 419 1 . 1 1 829 829 VAL CB C 829 31.541 31.541 31.886 -0.345 25870 420 1 . 1 1 829 829 VAL H H 829 8.051 8.051 7.318 0.733 25870 421 1 . 1 1 830 830 MET N N 830 119.572 119.572 118.360 1.212 25870 422 1 . 1 1 830 830 MET HA H 830 4.006 4.006 3.532 0.474 25870 423 1 . 1 1 830 830 MET CA C 830 57.977 57.977 57.406 0.571 25870 424 1 . 1 1 830 830 MET CB C 830 31.995 31.995 31.474 0.521 25870 425 1 . 1 1 830 830 MET H H 830 8.110 8.110 8.183 -0.073 25870 426 1 . 1 1 831 831 ALA N N 831 121.059 121.059 122.041 -0.982 25870 427 1 . 1 1 831 831 ALA HA H 831 4.045 4.045 3.765 0.280 25870 428 1 . 1 1 831 831 ALA CA C 831 54.501 54.501 54.315 0.186 25870 429 1 . 1 1 831 831 ALA CB C 831 18.067 18.067 17.707 0.360 25870 430 1 . 1 1 831 831 ALA H H 831 7.836 7.836 7.543 0.293 25870 431 1 . 1 1 832 832 SER N N 832 114.256 114.256 115.626 -1.369 25870 432 1 . 1 1 832 832 SER HA H 832 4.141 4.141 4.047 0.094 25870 433 1 . 1 1 832 832 SER CA C 832 60.845 60.845 61.246 -0.401 25870 434 1 . 1 1 832 832 SER CB C 832 62.613 62.613 62.803 -0.190 25870 435 1 . 1 1 832 832 SER H H 832 7.714 7.714 7.602 0.112 25870 436 1 . 1 1 833 833 PHE N N 833 121.847 121.847 120.196 1.651 25870 437 1 . 1 1 833 833 PHE HA H 833 3.823 3.823 4.223 -0.400 25870 438 1 . 1 1 833 833 PHE CA C 833 58.627 58.627 58.201 0.426 25870 439 1 . 1 1 833 833 PHE CB C 833 38.127 38.127 37.514 0.613 25870 440 1 . 1 1 833 833 PHE H H 833 7.740 7.740 7.548 0.192 25870 441 1 . 1 1 834 834 LYS N N 834 118.759 118.759 120.310 -1.551 25870 442 1 . 1 1 834 834 LYS HA H 834 3.589 3.589 3.610 -0.021 25870 443 1 . 1 1 834 834 LYS CA C 834 59.384 59.384 58.278 1.106 25870 444 1 . 1 1 834 834 LYS CB C 834 32.143 32.143 31.876 0.267 25870 445 1 . 1 1 834 834 LYS H H 834 7.843 7.843 7.792 0.051 25870 446 1 . 1 1 835 835 ILE N N 835 118.537 118.537 119.899 -1.362 25870 447 1 . 1 1 835 835 ILE HA H 835 3.736 3.736 3.744 -0.008 25870 448 1 . 1 1 835 835 ILE CA C 835 63.714 63.714 64.582 -0.868 25870 449 1 . 1 1 835 835 ILE CB C 835 37.825 37.825 37.980 -0.155 25870 450 1 . 1 1 835 835 ILE H H 835 7.315 7.315 7.259 0.056 25870 451 1 . 1 1 836 836 LEU N N 836 121.201 121.201 119.395 1.806 25870 452 1 . 1 1 836 836 LEU HA H 836 3.955 3.955 3.865 0.090 25870 453 1 . 1 1 836 836 LEU CA C 836 57.074 57.074 57.224 -0.149 25870 454 1 . 1 1 836 836 LEU CB C 836 42.415 42.415 42.031 0.384 25870 455 1 . 1 1 836 836 LEU H H 836 7.625 7.625 8.001 -0.376 25870 456 1 . 1 1 837 837 ALA N N 837 119.184 119.184 118.343 0.841 25870 457 1 . 1 1 837 837 ALA HA H 837 3.895 3.895 3.931 -0.036 25870 458 1 . 1 1 837 837 ALA CA C 837 53.301 53.301 53.839 -0.538 25870 459 1 . 1 1 837 837 ALA CB C 837 19.338 19.338 19.136 0.202 25870 460 1 . 1 1 837 837 ALA H H 837 8.099 8.099 7.606 0.493 25870 461 1 . 1 1 838 838 GLY N N 838 107.030 107.030 106.734 0.296 25870 462 1 . 1 1 838 838 GLY CA C 838 46.918 46.918 46.687 0.231 25870 463 1 . 1 1 838 838 GLY H H 838 7.676 7.676 8.250 -0.574 25870 464 1 . 1 1 839 839 ASP N N 839 122.291 122.291 124.480 -2.189 25870 465 1 . 1 1 839 839 ASP HA H 839 4.477 4.477 4.810 -0.333 25870 466 1 . 1 1 839 839 ASP CA C 839 54.511 54.511 53.667 0.844 25870 467 1 . 1 1 839 839 ASP CB C 839 40.181 40.181 41.913 -1.731 25870 468 1 . 1 1 839 839 ASP H H 839 8.704 8.704 8.141 0.563 25870 469 1 . 1 1 840 840 LYS N N 840 117.582 117.582 120.636 -3.054 25870 470 1 . 1 1 840 840 LYS HA H 840 4.301 4.301 4.433 -0.132 25870 471 1 . 1 1 840 840 LYS CA C 840 55.780 55.780 56.010 -0.230 25870 472 1 . 1 1 840 840 LYS CB C 840 33.710 33.710 33.166 0.544 25870 473 1 . 1 1 840 840 LYS H H 840 7.583 7.583 7.419 0.164 25870 474 1 . 1 1 841 841 ASN N N 841 116.678 116.678 116.759 -0.081 25870 475 1 . 1 1 841 841 ASN HA H 841 4.611 4.611 4.608 0.003 25870 476 1 . 1 1 841 841 ASN CA C 841 53.466 53.466 53.991 -0.525 25870 477 1 . 1 1 841 841 ASN CB C 841 39.155 39.155 39.049 0.106 25870 478 1 . 1 1 841 841 ASN H H 841 8.693 8.693 8.940 -0.247 25870 479 1 . 1 1 842 842 TYR N N 842 112.236 112.236 114.014 -1.778 25870 480 1 . 1 1 842 842 TYR HA H 842 4.986 4.986 4.827 0.159 25870 481 1 . 1 1 842 842 TYR CA C 842 54.918 54.918 56.139 -1.221 25870 482 1 . 1 1 842 842 TYR CB C 842 40.595 40.595 40.579 0.016 25870 483 1 . 1 1 842 842 TYR H H 842 6.637 6.637 7.275 -0.638 25870 484 1 . 1 1 843 843 ILE N N 843 115.475 115.475 121.425 -5.950 25870 485 1 . 1 1 843 843 ILE HA H 843 4.792 4.792 4.606 0.186 25870 486 1 . 1 1 843 843 ILE CA C 843 58.957 58.957 58.306 0.651 25870 487 1 . 1 1 843 843 ILE CB C 843 43.009 43.009 42.932 0.077 25870 488 1 . 1 1 843 843 ILE H H 843 8.630 8.630 9.255 -0.625 25870 489 1 . 1 1 844 844 THR N N 844 117.169 117.169 118.356 -1.187 25870 490 1 . 1 1 844 844 THR HA H 844 5.370 5.370 5.225 0.145 25870 491 1 . 1 1 844 844 THR CA C 844 60.177 60.177 60.484 -0.307 25870 492 1 . 1 1 844 844 THR CB C 844 71.088 71.088 70.649 0.439 25870 493 1 . 1 1 844 844 THR H H 844 9.330 9.330 9.301 0.029 25870 494 1 . 1 1 845 845 MET N N 845 119.860 119.860 120.414 -0.554 25870 495 1 . 1 1 845 845 MET HA H 845 3.824 3.824 4.006 -0.182 25870 496 1 . 1 1 845 845 MET CA C 845 60.321 60.321 60.449 -0.128 25870 497 1 . 1 1 845 845 MET CB C 845 33.030 33.030 32.214 0.816 25870 498 1 . 1 1 845 845 MET H H 845 8.556 8.556 8.750 -0.194 25870 499 1 . 1 1 846 846 ASP N N 846 116.363 116.363 118.070 -1.707 25870 500 1 . 1 1 846 846 ASP HA H 846 4.280 4.280 4.424 -0.144 25870 501 1 . 1 1 846 846 ASP CA C 846 57.404 57.404 56.682 0.722 25870 502 1 . 1 1 846 846 ASP CB C 846 40.584 40.584 40.477 0.107 25870 503 1 . 1 1 846 846 ASP H H 846 8.377 8.377 8.643 -0.266 25870 504 1 . 1 1 847 847 GLU N N 847 120.577 120.577 118.704 1.873 25870 505 1 . 1 1 847 847 GLU HA H 847 3.854 3.854 4.126 -0.272 25870 506 1 . 1 1 847 847 GLU CA C 847 59.657 59.657 58.825 0.832 25870 507 1 . 1 1 847 847 GLU CB C 847 29.660 29.660 30.009 -0.349 25870 508 1 . 1 1 847 847 GLU H H 847 7.855 7.855 7.630 0.225 25870 509 1 . 1 1 848 848 LEU N N 848 118.714 118.714 119.630 -0.916 25870 510 1 . 1 1 848 848 LEU HA H 848 3.822 3.822 4.036 -0.214 25870 511 1 . 1 1 848 848 LEU CA C 848 58.725 58.725 57.654 1.071 25870 512 1 . 1 1 848 848 LEU CB C 848 42.457 42.457 41.973 0.484 25870 513 1 . 1 1 848 848 LEU H H 848 7.849 7.849 7.540 0.309 25870 514 1 . 1 1 849 849 ARG N N 849 113.972 113.972 115.237 -1.265 25870 515 1 . 1 1 849 849 ARG HA H 849 3.924 3.924 4.422 -0.498 25870 516 1 . 1 1 849 849 ARG CA C 849 58.595 58.595 57.240 1.355 25870 517 1 . 1 1 849 849 ARG CB C 849 30.100 30.100 29.430 0.670 25870 518 1 . 1 1 849 849 ARG H H 849 8.053 8.053 7.860 0.193 25870 519 1 . 1 1 850 850 ARG N N 850 118.178 118.178 118.611 -0.433 25870 520 1 . 1 1 850 850 ARG HA H 850 4.193 4.193 4.380 -0.187 25870 521 1 . 1 1 850 850 ARG CA C 850 58.245 58.245 57.675 0.570 25870 522 1 . 1 1 850 850 ARG CB C 850 31.120 31.120 31.344 -0.224 25870 523 1 . 1 1 850 850 ARG H H 850 7.743 7.743 7.663 0.080 25870 524 1 . 1 1 851 851 GLU N N 851 115.518 115.518 118.812 -3.294 25870 525 1 . 1 1 851 851 GLU HA H 851 4.350 4.350 4.330 0.020 25870 526 1 . 1 1 851 851 GLU CA C 851 56.886 56.886 57.676 -0.789 25870 527 1 . 1 1 851 851 GLU CB C 851 31.590 31.590 30.981 0.609 25870 528 1 . 1 1 851 851 GLU H H 851 7.596 7.596 7.800 -0.204 25870 529 1 . 1 1 852 852 LEU N N 852 119.148 119.148 121.628 -2.480 25870 530 1 . 1 1 852 852 LEU HA H 852 4.894 4.894 5.163 -0.269 25870 531 1 . 1 1 852 852 LEU CA C 852 52.174 52.174 51.239 0.935 25870 532 1 . 1 1 852 852 LEU CB C 852 42.469 42.469 41.759 0.710 25870 533 1 . 1 1 852 852 LEU H H 852 7.890 7.890 7.929 -0.039 25870 534 1 . 1 1 853 853 PRO HA H 853 4.347 4.347 4.469 -0.122 25870 535 1 . 1 1 853 853 PRO CA C 853 65.119 65.119 64.010 1.109 25870 536 1 . 1 1 853 853 PRO CB C 853 31.631 31.631 30.502 1.129 25870 537 1 . 1 1 854 854 PRO HA H 854 4.270 4.270 4.495 -0.225 25870 538 1 . 1 1 854 854 PRO CA C 854 66.336 66.336 61.977 4.359 25870 539 1 . 1 1 854 854 PRO CB C 854 32.256 32.256 33.117 -0.861 25870 540 1 . 1 1 855 855 ASP N N 855 114.865 114.865 119.037 -4.172 25870 541 1 . 1 1 855 855 ASP HA H 855 4.349 4.349 4.373 -0.024 25870 542 1 . 1 1 855 855 ASP CA C 855 56.913 56.913 57.228 -0.315 25870 543 1 . 1 1 855 855 ASP CB C 855 39.244 39.244 40.472 -1.228 25870 544 1 . 1 1 855 855 ASP H H 855 8.801 8.801 8.336 0.465 25870 545 1 . 1 1 856 856 GLN N N 856 121.465 121.465 118.768 2.697 25870 546 1 . 1 1 856 856 GLN HA H 856 4.199 4.199 4.284 -0.085 25870 547 1 . 1 1 856 856 GLN CA C 856 58.317 58.317 59.347 -1.030 25870 548 1 . 1 1 856 856 GLN CB C 856 29.247 29.247 28.233 1.014 25870 549 1 . 1 1 856 856 GLN H H 856 7.472 7.472 8.505 -1.033 25870 550 1 . 1 1 857 857 ALA N N 857 122.805 122.805 122.262 0.543 25870 551 1 . 1 1 857 857 ALA HA H 857 3.799 3.799 3.931 -0.132 25870 552 1 . 1 1 857 857 ALA CA C 857 56.303 56.303 55.978 0.325 25870 553 1 . 1 1 857 857 ALA CB C 857 17.944 17.944 18.277 -0.333 25870 554 1 . 1 1 857 857 ALA H H 857 8.882 8.882 8.170 0.712 25870 555 1 . 1 1 858 858 GLU N N 858 114.094 114.094 118.832 -4.738 25870 556 1 . 1 1 858 858 GLU HA H 858 4.024 4.024 4.014 0.010 25870 557 1 . 1 1 858 858 GLU CA C 858 58.682 58.682 58.699 -0.017 25870 558 1 . 1 1 858 858 GLU CB C 858 28.639 28.639 29.063 -0.424 25870 559 1 . 1 1 858 858 GLU H H 858 8.155 8.155 7.918 0.237 25870 560 1 . 1 1 859 859 TYR N N 859 120.665 120.665 122.281 -1.616 25870 561 1 . 1 1 859 859 TYR HA H 859 4.084 4.084 4.166 -0.082 25870 562 1 . 1 1 859 859 TYR CA C 859 61.006 61.006 60.986 0.020 25870 563 1 . 1 1 859 859 TYR CB C 859 38.687 38.687 38.143 0.544 25870 564 1 . 1 1 859 859 TYR H H 859 7.708 7.708 8.453 -0.745 25870 565 1 . 1 1 860 860 CYS N N 860 115.812 115.812 117.368 -1.556 25870 566 1 . 1 1 860 860 CYS HA H 860 4.158 4.158 3.374 0.784 25870 567 1 . 1 1 860 860 CYS CA C 860 64.254 64.254 63.985 0.269 25870 568 1 . 1 1 860 860 CYS CB C 860 27.304 27.304 26.997 0.307 25870 569 1 . 1 1 860 860 CYS H H 860 8.113 8.113 7.750 0.363 25870 570 1 . 1 1 861 861 ILE N N 861 120.078 120.078 120.031 0.047 25870 571 1 . 1 1 861 861 ILE HA H 861 3.339 3.339 3.616 -0.277 25870 572 1 . 1 1 861 861 ILE CA C 861 65.643 65.643 65.321 0.322 25870 573 1 . 1 1 861 861 ILE CB C 861 38.714 38.714 37.720 0.994 25870 574 1 . 1 1 861 861 ILE H H 861 8.453 8.453 7.967 0.486 25870 575 1 . 1 1 862 862 ALA N N 862 116.691 116.691 121.761 -5.070 25870 576 1 . 1 1 862 862 ALA HA H 862 4.209 4.209 4.045 0.164 25870 577 1 . 1 1 862 862 ALA CA C 862 53.222 53.222 54.775 -1.553 25870 578 1 . 1 1 862 862 ALA CB C 862 19.002 19.002 18.780 0.222 25870 579 1 . 1 1 862 862 ALA H H 862 7.307 7.307 8.247 -0.940 25870 580 1 . 1 1 863 863 ARG N N 863 117.226 117.226 115.675 1.551 25870 581 1 . 1 1 863 863 ARG HA H 863 4.274 4.274 4.487 -0.213 25870 582 1 . 1 1 863 863 ARG CA C 863 56.051 56.051 56.351 -0.300 25870 583 1 . 1 1 863 863 ARG CB C 863 31.389 31.389 30.780 0.609 25870 584 1 . 1 1 863 863 ARG H H 863 7.358 7.358 7.557 -0.199 25870 585 1 . 1 1 864 864 MET N N 864 117.583 117.583 118.627 -1.043 25870 586 1 . 1 1 864 864 MET HA H 864 4.561 4.561 4.431 0.130 25870 587 1 . 1 1 864 864 MET CA C 864 54.927 54.927 55.917 -0.990 25870 588 1 . 1 1 864 864 MET CB C 864 37.418 37.418 34.256 3.162 25870 589 1 . 1 1 864 864 MET H H 864 7.153 7.153 7.392 -0.239 25870 590 1 . 1 1 865 865 ALA N N 865 124.643 124.643 125.644 -1.001 25870 591 1 . 1 1 865 865 ALA HA H 865 3.866 3.866 4.672 -0.806 25870 592 1 . 1 1 865 865 ALA CA C 865 49.194 49.194 49.677 -0.483 25870 593 1 . 1 1 865 865 ALA CB C 865 18.647 18.647 18.453 0.194 25870 594 1 . 1 1 865 865 ALA H H 865 8.557 8.557 8.177 0.380 25870 595 1 . 1 1 866 866 PRO HA H 866 4.496 4.496 4.514 -0.018 25870 596 1 . 1 1 866 866 PRO CA C 866 62.724 62.724 62.867 -0.143 25870 597 1 . 1 1 866 866 PRO CB C 866 31.980 31.980 30.399 1.581 25870 598 1 . 1 1 867 867 TYR N N 867 122.461 122.461 126.339 -3.878 25870 599 1 . 1 1 867 867 TYR HA H 867 4.728 4.728 4.517 0.211 25870 600 1 . 1 1 867 867 TYR CA C 867 57.096 57.096 56.804 0.292 25870 601 1 . 1 1 867 867 TYR CB C 867 39.175 39.175 38.037 1.138 25870 602 1 . 1 1 867 867 TYR H H 867 8.128 8.128 8.128 0.000 25870 603 1 . 1 1 868 868 THR HA H 868 4.351 4.351 4.594 -0.243 25870 604 1 . 1 1 868 868 THR CA C 868 60.271 60.271 60.168 0.103 25870 605 1 . 1 1 868 868 THR CB C 868 68.737 68.737 71.147 -2.410 25870 606 1 . 1 1 869 869 GLY CA C 869 44.914 44.914 44.698 0.216 25870 607 1 . 1 1 870 870 PRO HA H 870 4.329 4.329 4.443 -0.114 25870 608 1 . 1 1 870 870 PRO CA C 870 64.697 64.697 64.038 0.659 25870 609 1 . 1 1 870 870 PRO CB C 870 31.579 31.579 32.151 -0.572 25870 610 1 . 1 1 871 871 ASP N N 871 116.207 116.207 117.313 -1.106 25870 611 1 . 1 1 871 871 ASP HA H 871 4.604 4.604 4.680 -0.076 25870 612 1 . 1 1 871 871 ASP CA C 871 52.749 52.749 54.027 -1.278 25870 613 1 . 1 1 871 871 ASP CB C 871 38.929 38.929 40.822 -1.893 25870 614 1 . 1 1 871 871 ASP H H 871 9.267 9.267 8.425 0.842 25870 615 1 . 1 1 872 872 SER N N 872 112.349 112.349 114.870 -2.521 25870 616 1 . 1 1 872 872 SER HA H 872 3.497 3.497 4.469 -0.972 25870 617 1 . 1 1 872 872 SER CA C 872 59.065 59.065 57.563 1.502 25870 618 1 . 1 1 872 872 SER CB C 872 63.125 63.125 64.900 -1.775 25870 619 1 . 1 1 872 872 SER H H 872 7.487 7.487 7.386 0.101 25870 620 1 . 1 1 873 873 VAL N N 873 113.567 113.567 114.273 -0.706 25870 621 1 . 1 1 873 873 VAL HA H 873 4.729 4.729 4.595 0.134 25870 622 1 . 1 1 873 873 VAL CA C 873 58.044 58.044 58.020 0.024 25870 623 1 . 1 1 873 873 VAL CB C 873 32.911 32.911 32.575 0.336 25870 624 1 . 1 1 873 873 VAL H H 873 6.411 6.411 8.087 -1.676 25870 625 1 . 1 1 874 874 PRO HA H 874 4.296 4.296 4.445 -0.149 25870 626 1 . 1 1 874 874 PRO CA C 874 64.335 64.335 63.596 0.739 25870 627 1 . 1 1 874 874 PRO CB C 874 31.515 31.515 31.419 0.096 25870 628 1 . 1 1 875 875 GLY N N 875 112.118 112.118 108.263 3.855 25870 629 1 . 1 1 875 875 GLY CA C 875 45.557 45.557 44.906 0.651 25870 630 1 . 1 1 875 875 GLY H H 875 8.800 8.800 8.177 0.623 25870 631 1 . 1 1 876 876 ALA N N 876 120.262 120.262 123.645 -3.383 25870 632 1 . 1 1 876 876 ALA HA H 876 4.100 4.100 5.586 -1.486 25870 633 1 . 1 1 876 876 ALA CA C 876 53.073 53.073 50.357 2.716 25870 634 1 . 1 1 876 876 ALA CB C 876 20.508 20.508 21.731 -1.223 25870 635 1 . 1 1 876 876 ALA H H 876 7.762 7.762 7.675 0.087 25870 636 1 . 1 1 877 877 LEU N N 877 125.695 125.695 121.226 4.469 25870 637 1 . 1 1 877 877 LEU HA H 877 4.776 4.776 5.187 -0.411 25870 638 1 . 1 1 877 877 LEU CA C 877 54.269 54.269 53.725 0.544 25870 639 1 . 1 1 877 877 LEU CB C 877 44.799 44.799 47.058 -2.259 25870 640 1 . 1 1 877 877 LEU H H 877 9.595 9.595 9.331 0.264 25870 641 1 . 1 1 878 878 ASP N N 878 119.823 119.823 121.651 -1.828 25870 642 1 . 1 1 878 878 ASP HA H 878 4.879 4.879 4.517 0.362 25870 643 1 . 1 1 878 878 ASP CA C 878 51.997 51.997 52.488 -0.491 25870 644 1 . 1 1 878 878 ASP CB C 878 40.781 40.781 41.458 -0.677 25870 645 1 . 1 1 878 878 ASP H H 878 9.031 9.031 8.017 1.014 25870 646 1 . 1 1 879 879 TYR N N 879 126.556 126.556 123.696 2.860 25870 647 1 . 1 1 879 879 TYR HA H 879 4.591 4.591 4.143 0.448 25870 648 1 . 1 1 879 879 TYR CA C 879 59.396 59.396 59.853 -0.457 25870 649 1 . 1 1 879 879 TYR CB C 879 37.321 37.321 37.650 -0.329 25870 650 1 . 1 1 879 879 TYR H H 879 7.456 7.456 7.968 -0.511 25870 651 1 . 1 1 880 880 MET N N 880 119.958 119.958 114.089 5.869 25870 652 1 . 1 1 880 880 MET HA H 880 4.605 4.605 4.776 -0.171 25870 653 1 . 1 1 880 880 MET CA C 880 56.044 56.044 57.009 -0.965 25870 654 1 . 1 1 880 880 MET CB C 880 30.101 30.101 33.391 -3.290 25870 655 1 . 1 1 880 880 MET H H 880 7.627 7.627 7.444 0.183 25870 656 1 . 1 1 881 881 SER N N 881 114.328 114.328 115.833 -1.505 25870 657 1 . 1 1 881 881 SER HA H 881 4.471 4.471 4.608 -0.137 25870 658 1 . 1 1 881 881 SER CA C 881 58.917 58.917 57.329 1.588 25870 659 1 . 1 1 881 881 SER CB C 881 64.447 64.447 63.658 0.790 25870 660 1 . 1 1 881 881 SER H H 881 7.726 7.726 8.102 -0.376 25870 661 1 . 1 1 882 882 PHE N N 882 122.735 122.735 119.970 2.765 25870 662 1 . 1 1 882 882 PHE HA H 882 4.722 4.722 4.377 0.345 25870 663 1 . 1 1 882 882 PHE CA C 882 59.231 59.231 57.426 1.805 25870 664 1 . 1 1 882 882 PHE CB C 882 40.285 40.285 39.100 1.185 25870 665 1 . 1 1 882 882 PHE H H 882 7.385 7.385 7.446 -0.061 25870 666 1 . 1 1 883 883 SER N N 883 120.156 120.156 116.809 3.347 25870 667 1 . 1 1 883 883 SER HA H 883 4.299 4.299 4.394 -0.095 25870 668 1 . 1 1 883 883 SER CA C 883 57.280 57.280 57.960 -0.680 25870 669 1 . 1 1 883 883 SER CB C 883 64.601 64.601 64.032 0.569 25870 670 1 . 1 1 883 883 SER H H 883 7.472 7.472 8.400 -0.928 25870 671 1 . 1 1 884 884 THR N N 884 110.683 110.683 117.811 -7.128 25870 672 1 . 1 1 884 884 THR HA H 884 3.966 3.966 4.181 -0.215 25870 673 1 . 1 1 884 884 THR CA C 884 63.465 63.465 63.048 0.417 25870 674 1 . 1 1 884 884 THR CB C 884 68.899 68.899 68.703 0.196 25870 675 1 . 1 1 884 884 THR H H 884 7.996 7.996 8.254 -0.258 25870 676 1 . 1 1 885 885 ALA N N 885 125.456 125.456 123.544 1.912 25870 677 1 . 1 1 885 885 ALA HA H 885 4.236 4.236 4.449 -0.213 25870 678 1 . 1 1 885 885 ALA CA C 885 52.030 52.030 51.396 0.634 25870 679 1 . 1 1 885 885 ALA CB C 885 19.225 19.225 19.724 -0.499 25870 680 1 . 1 1 885 885 ALA H H 885 7.905 7.905 7.552 0.353 25870 681 1 . 1 1 886 886 LEU N N 886 120.638 120.638 120.006 0.632 25870 682 1 . 1 1 886 886 LEU HA H 886 4.002 4.002 4.036 -0.034 25870 683 1 . 1 1 886 886 LEU CA C 886 55.462 55.462 55.234 0.228 25870 684 1 . 1 1 886 886 LEU CB C 886 42.265 42.265 41.925 0.340 25870 685 1 . 1 1 886 886 LEU H H 886 8.079 8.079 7.845 0.234 25870 686 1 . 1 1 887 887 TYR N N 887 121.526 121.526 118.796 2.730 25870 687 1 . 1 1 887 887 TYR HA H 887 4.356 4.356 4.409 -0.053 25870 688 1 . 1 1 887 887 TYR CA C 887 58.750 58.750 58.396 0.354 25870 689 1 . 1 1 887 887 TYR CB C 887 38.569 38.569 37.168 1.401 25870 690 1 . 1 1 887 887 TYR H H 887 8.267 8.267 8.213 0.054 25870 691 1 . 1 1 888 888 GLY N N 888 112.379 112.379 108.127 4.252 25870 692 1 . 1 1 888 888 GLY CA C 888 45.090 45.090 44.848 0.242 25870 693 1 . 1 1 888 888 GLY H H 888 8.087 8.087 7.799 0.288 25870 694 1 . 1 1 889 889 GLU N N 889 120.255 120.255 120.515 -0.260 25870 695 1 . 1 1 889 889 GLU HA H 889 4.256 4.256 4.498 -0.242 25870 696 1 . 1 1 889 889 GLU CA C 889 56.445 56.445 56.495 -0.050 25870 697 1 . 1 1 889 889 GLU CB C 889 30.393 30.393 30.464 -0.071 25870 698 1 . 1 1 889 889 GLU H H 889 7.994 7.994 8.326 -0.332 25870 699 1 . 1 1 890 890 SER N N 890 116.375 116.375 116.350 0.025 25870 700 1 . 1 1 890 890 SER HA H 890 4.415 4.415 4.672 -0.257 25870 701 1 . 1 1 890 890 SER CA C 890 58.204 58.204 57.941 0.263 25870 702 1 . 1 1 890 890 SER CB C 890 63.913 63.913 64.686 -0.773 25870 703 1 . 1 1 890 890 SER H H 890 8.329 8.329 8.198 0.131 25870 704 1 . 1 1 891 891 ASP N N 891 123.017 123.017 121.262 1.755 25870 705 1 . 1 1 891 891 ASP HA H 891 4.610 4.610 4.904 -0.294 25870 706 1 . 1 1 891 891 ASP CA C 891 54.371 54.371 54.298 0.073 25870 707 1 . 1 1 891 891 ASP CB C 891 41.013 41.013 41.415 -0.402 25870 708 1 . 1 1 891 891 ASP H H 891 8.394 8.394 8.534 -0.140 25870 stop_ save_