data_19229 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19229 _Entry.PDB_ID 2M85 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 19229 _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 1 653 653 ASN N N 653 120.067 120.067 124.022 -3.955 19229 2 1 1 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.929 -0.341 19229 3 1 1 . 1 1 653 653 ASN C C 653 175.383 175.383 175.179 0.204 19229 4 1 1 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.330 -0.136 19229 5 1 1 . 1 1 653 653 ASN CB C 653 38.813 38.813 39.187 -0.374 19229 6 1 1 . 1 1 653 653 ASN H H 653 8.357 8.357 8.633 -0.276 19229 7 1 1 . 1 1 654 654 THR N N 654 113.812 113.812 114.637 -0.825 19229 8 1 1 . 1 1 654 654 THR HA H 654 4.260 4.260 4.418 -0.158 19229 9 1 1 . 1 1 654 654 THR C C 654 174.825 174.825 174.729 0.096 19229 10 1 1 . 1 1 654 654 THR CA C 654 61.806 61.806 62.688 -0.882 19229 11 1 1 . 1 1 654 654 THR CB C 654 69.645 69.645 69.619 0.026 19229 12 1 1 . 1 1 654 654 THR H H 654 8.040 8.040 8.815 -0.775 19229 13 1 1 . 1 1 655 655 SER N N 655 117.231 117.231 117.095 0.136 19229 14 1 1 . 1 1 655 655 SER HA H 655 4.367 4.367 4.516 -0.149 19229 15 1 1 . 1 1 655 655 SER C C 655 174.218 174.218 172.228 1.990 19229 16 1 1 . 1 1 655 655 SER CA C 655 58.681 58.681 57.881 0.800 19229 17 1 1 . 1 1 655 655 SER CB C 655 63.586 63.586 65.105 -1.519 19229 18 1 1 . 1 1 655 655 SER H H 655 8.277 8.277 7.605 0.672 19229 19 1 1 . 1 1 656 656 ASP N N 656 121.799 121.799 123.836 -2.037 19229 20 1 1 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.510 0.021 19229 21 1 1 . 1 1 656 656 ASP C C 656 175.250 175.250 176.397 -1.147 19229 22 1 1 . 1 1 656 656 ASP CA C 656 54.385 54.385 54.214 0.171 19229 23 1 1 . 1 1 656 656 ASP CB C 656 41.069 41.069 41.627 -0.558 19229 24 1 1 . 1 1 656 656 ASP H H 656 8.197 8.197 8.348 -0.151 19229 25 1 1 . 1 1 657 657 TYR N N 657 122.165 122.165 123.778 -1.613 19229 26 1 1 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.677 -0.231 19229 27 1 1 . 1 1 657 657 TYR C C 657 174.607 174.607 175.416 -0.809 19229 28 1 1 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.929 0.759 19229 29 1 1 . 1 1 657 657 TYR CB C 657 39.025 39.025 37.375 1.650 19229 30 1 1 . 1 1 657 657 TYR H H 657 8.023 8.023 8.603 -0.580 19229 31 1 1 . 1 1 658 658 ARG N N 658 128.309 128.309 123.272 5.037 19229 32 1 1 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.262 0.115 19229 33 1 1 . 1 1 658 658 ARG C C 658 172.871 172.871 175.161 -2.290 19229 34 1 1 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.171 0.269 19229 35 1 1 . 1 1 658 658 ARG CB C 658 32.262 32.262 30.797 1.464 19229 36 1 1 . 1 1 658 658 ARG H H 658 8.637 8.637 7.571 1.066 19229 37 1 1 . 1 1 659 659 PHE N N 659 125.304 125.304 119.511 5.793 19229 38 1 1 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.781 0.144 19229 39 1 1 . 1 1 659 659 PHE C C 659 174.558 174.558 174.209 0.349 19229 40 1 1 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.542 -0.071 19229 41 1 1 . 1 1 659 659 PHE CB C 659 41.719 41.719 40.229 1.490 19229 42 1 1 . 1 1 659 659 PHE H H 659 8.551 8.551 7.845 0.706 19229 43 1 1 . 1 1 660 660 GLU N N 660 128.804 128.804 125.400 3.404 19229 44 1 1 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.478 -0.524 19229 45 1 1 . 1 1 660 660 GLU C C 660 172.361 172.361 174.475 -2.114 19229 46 1 1 . 1 1 660 660 GLU CA C 660 56.471 56.471 55.363 1.108 19229 47 1 1 . 1 1 660 660 GLU CB C 660 31.644 31.644 32.297 -0.653 19229 48 1 1 . 1 1 660 660 GLU H H 660 7.833 7.833 8.086 -0.253 19229 49 1 1 . 1 1 661 661 CYS N N 661 127.001 127.001 121.769 5.232 19229 50 1 1 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.520 -0.162 19229 51 1 1 . 1 1 661 661 CYS C C 661 176.221 176.221 176.434 -0.213 19229 52 1 1 . 1 1 661 661 CYS CA C 661 59.045 59.045 59.164 -0.119 19229 53 1 1 . 1 1 661 661 CYS CB C 661 30.839 30.839 29.032 1.807 19229 54 1 1 . 1 1 661 661 CYS H H 661 8.356 8.356 8.484 -0.128 19229 55 1 1 . 1 1 662 662 ILE N N 662 127.765 127.765 123.478 4.287 19229 56 1 1 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.889 0.239 19229 57 1 1 . 1 1 662 662 ILE C C 662 176.439 176.439 176.135 0.304 19229 58 1 1 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.418 -0.112 19229 59 1 1 . 1 1 662 662 ILE CB C 662 38.462 38.462 36.828 1.635 19229 60 1 1 . 1 1 662 662 ILE H H 662 8.075 8.075 8.517 -0.442 19229 61 1 1 . 1 1 663 663 CYS N N 663 120.000 120.000 117.039 2.961 19229 62 1 1 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.762 -0.224 19229 63 1 1 . 1 1 663 663 CYS C C 663 177.046 177.046 176.321 0.725 19229 64 1 1 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.526 0.366 19229 65 1 1 . 1 1 663 663 CYS CB C 663 30.994 30.994 27.958 3.036 19229 66 1 1 . 1 1 663 663 CYS H H 663 7.661 7.661 8.155 -0.494 19229 67 1 1 . 1 1 664 664 GLY N N 664 110.372 110.372 112.585 -2.213 19229 68 1 1 . 1 1 664 664 GLY C C 664 173.818 173.818 174.593 -0.775 19229 69 1 1 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.806 0.053 19229 70 1 1 . 1 1 664 664 GLY H H 664 7.855 7.855 8.207 -0.352 19229 71 1 1 . 1 1 665 665 GLU N N 665 122.002 122.002 119.286 2.716 19229 72 1 1 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.565 -0.212 19229 73 1 1 . 1 1 665 665 GLU C C 665 175.990 175.990 176.759 -0.769 19229 74 1 1 . 1 1 665 665 GLU CA C 665 56.286 56.286 57.121 -0.835 19229 75 1 1 . 1 1 665 665 GLU CB C 665 31.276 31.276 30.727 0.549 19229 76 1 1 . 1 1 665 665 GLU H H 665 8.276 8.276 8.311 -0.035 19229 77 1 1 . 1 1 666 666 LEU N N 666 122.355 122.355 118.920 3.435 19229 78 1 1 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.721 -0.372 19229 79 1 1 . 1 1 666 666 LEU C C 666 176.816 176.816 175.114 1.702 19229 80 1 1 . 1 1 666 666 LEU CA C 666 54.595 54.595 54.108 0.487 19229 81 1 1 . 1 1 666 666 LEU CB C 666 42.549 42.549 44.943 -2.394 19229 82 1 1 . 1 1 666 666 LEU H H 666 8.341 8.341 8.302 0.039 19229 83 1 1 . 1 1 667 667 ASP N N 667 121.075 121.075 120.795 0.280 19229 84 1 1 . 1 1 667 667 ASP HA H 667 4.046 4.046 5.122 -1.076 19229 85 1 1 . 1 1 667 667 ASP C C 667 175.432 175.432 174.591 0.841 19229 86 1 1 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.972 0.200 19229 87 1 1 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.341 -0.272 19229 88 1 1 . 1 1 667 667 ASP H H 667 8.325 8.325 8.406 -0.081 19229 89 1 1 . 1 1 668 668 GLN N N 668 121.978 121.978 119.150 2.828 19229 90 1 1 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.745 -0.547 19229 91 1 1 . 1 1 668 668 GLN C C 668 175.420 175.420 174.884 0.536 19229 92 1 1 . 1 1 668 668 GLN CA C 668 55.225 55.225 55.026 0.199 19229 93 1 1 . 1 1 668 668 GLN CB C 668 30.149 30.149 31.490 -1.341 19229 94 1 1 . 1 1 668 668 GLN H H 668 8.083 8.083 8.169 -0.086 19229 95 1 1 . 1 1 669 669 ILE N N 669 120.079 120.079 122.180 -2.101 19229 96 1 1 . 1 1 669 669 ILE HA H 669 3.878 3.878 3.841 0.037 19229 97 1 1 . 1 1 669 669 ILE C C 669 175.347 175.347 176.406 -1.059 19229 98 1 1 . 1 1 669 669 ILE CA C 669 61.499 61.499 63.242 -1.743 19229 99 1 1 . 1 1 669 669 ILE CB C 669 37.123 37.123 37.697 -0.573 19229 100 1 1 . 1 1 669 669 ILE H H 669 8.155 8.155 8.692 -0.537 19229 101 1 1 . 1 1 670 670 ASP N N 670 123.410 123.410 119.479 3.931 19229 102 1 1 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.361 0.065 19229 103 1 1 . 1 1 670 670 ASP C C 670 176.124 176.124 177.333 -1.209 19229 104 1 1 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.437 -2.828 19229 105 1 1 . 1 1 670 670 ASP CB C 670 41.139 41.139 41.090 0.049 19229 106 1 1 . 1 1 670 670 ASP H H 670 7.992 7.992 7.923 0.069 19229 107 1 1 . 1 1 671 671 ARG N N 671 118.285 118.285 118.831 -0.546 19229 108 1 1 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.402 -0.233 19229 109 1 1 . 1 1 671 671 ARG C C 671 176.476 176.476 176.195 0.281 19229 110 1 1 . 1 1 671 671 ARG CA C 671 56.038 56.038 57.100 -1.062 19229 111 1 1 . 1 1 671 671 ARG CB C 671 29.552 29.552 31.924 -2.372 19229 112 1 1 . 1 1 671 671 ARG H H 671 8.274 8.274 7.610 0.664 19229 113 1 1 . 1 1 672 672 LYS N N 672 122.196 122.196 119.769 2.427 19229 114 1 1 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.685 -0.199 19229 115 1 1 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.348 2.599 19229 116 1 1 . 1 1 672 672 LYS CB C 672 32.262 32.262 33.624 -1.362 19229 117 1 1 . 1 1 672 672 LYS H H 672 8.060 8.060 7.822 0.238 19229 118 1 1 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.348 0.050 19229 119 1 1 . 1 1 673 673 PRO C C 673 177.204 177.204 175.985 1.219 19229 120 1 1 . 1 1 673 673 PRO CA C 673 63.964 63.964 62.986 0.978 19229 121 1 1 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.443 0.095 19229 122 1 1 . 1 1 674 674 ARG N N 674 123.076 123.076 119.177 3.899 19229 123 1 1 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.997 0.491 19229 124 1 1 . 1 1 674 674 ARG C C 674 174.473 174.473 174.821 -0.348 19229 125 1 1 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.213 0.771 19229 126 1 1 . 1 1 674 674 ARG CB C 674 35.552 35.552 33.332 2.220 19229 127 1 1 . 1 1 674 674 ARG H H 674 8.982 8.982 8.073 0.909 19229 128 1 1 . 1 1 675 675 VAL N N 675 116.941 116.941 119.069 -2.128 19229 129 1 1 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.260 0.190 19229 130 1 1 . 1 1 675 675 VAL C C 675 171.342 171.342 175.113 -3.771 19229 131 1 1 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.462 -0.936 19229 132 1 1 . 1 1 675 675 VAL CB C 675 35.310 35.310 33.524 1.786 19229 133 1 1 . 1 1 675 675 VAL H H 675 9.109 9.109 8.779 0.330 19229 134 1 1 . 1 1 676 676 GLN N N 676 126.293 126.293 126.335 -0.042 19229 135 1 1 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.920 -0.867 19229 136 1 1 . 1 1 676 676 GLN C C 676 174.910 174.910 175.819 -0.909 19229 137 1 1 . 1 1 676 676 GLN CA C 676 53.209 53.209 55.244 -2.035 19229 138 1 1 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.363 1.737 19229 139 1 1 . 1 1 676 676 GLN H H 676 7.755 7.755 8.736 -0.981 19229 140 1 1 . 1 1 677 677 CYS N N 677 128.217 128.217 125.522 2.695 19229 141 1 1 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.578 -0.505 19229 142 1 1 . 1 1 677 677 CYS C C 677 177.471 177.471 176.744 0.727 19229 143 1 1 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.927 0.522 19229 144 1 1 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.747 4.980 19229 145 1 1 . 1 1 677 677 CYS H H 677 8.366 8.366 8.839 -0.473 19229 146 1 1 . 1 1 678 678 LEU N N 678 131.279 131.279 126.577 4.702 19229 147 1 1 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.149 -0.311 19229 148 1 1 . 1 1 678 678 LEU C C 678 176.718 176.718 177.348 -0.630 19229 149 1 1 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.412 -0.563 19229 150 1 1 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.415 0.639 19229 151 1 1 . 1 1 678 678 LEU H H 678 8.304 8.304 7.992 0.312 19229 152 1 1 . 1 1 679 679 LYS N N 679 120.707 120.707 117.406 3.301 19229 153 1 1 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.082 0.253 19229 154 1 1 . 1 1 679 679 LYS C C 679 176.160 176.160 176.971 -0.811 19229 155 1 1 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.111 -0.125 19229 156 1 1 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.707 0.330 19229 157 1 1 . 1 1 679 679 LYS H H 679 8.752 8.752 8.203 0.549 19229 158 1 1 . 1 1 680 680 CYS N N 680 118.211 118.211 114.601 3.610 19229 159 1 1 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.511 -0.045 19229 160 1 1 . 1 1 680 680 CYS C C 680 176.306 176.306 174.455 1.851 19229 161 1 1 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.215 1.959 19229 162 1 1 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.131 4.215 19229 163 1 1 . 1 1 680 680 CYS H H 680 8.230 8.230 7.595 0.635 19229 164 1 1 . 1 1 681 681 HIS N N 681 113.392 113.392 117.541 -4.149 19229 165 1 1 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.939 0.265 19229 166 1 1 . 1 1 681 681 HIS C C 681 173.478 173.478 173.089 0.389 19229 167 1 1 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.535 0.455 19229 168 1 1 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.080 -0.524 19229 169 1 1 . 1 1 681 681 HIS H H 681 7.149 7.149 7.974 -0.825 19229 170 1 1 . 1 1 682 682 LEU N N 682 124.066 124.066 120.808 3.258 19229 171 1 1 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.361 -0.066 19229 172 1 1 . 1 1 682 682 LEU C C 682 176.670 176.670 174.953 1.717 19229 173 1 1 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.044 3.183 19229 174 1 1 . 1 1 682 682 LEU CB C 682 44.035 44.035 43.234 0.801 19229 175 1 1 . 1 1 682 682 LEU H H 682 8.172 8.172 7.309 0.863 19229 176 1 1 . 1 1 683 683 TRP N N 683 124.208 124.208 126.736 -2.528 19229 177 1 1 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.976 0.115 19229 178 1 1 . 1 1 683 683 TRP C C 683 174.133 174.133 175.078 -0.945 19229 179 1 1 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.420 1.302 19229 180 1 1 . 1 1 683 683 TRP CB C 683 31.814 31.814 29.276 2.538 19229 181 1 1 . 1 1 683 683 TRP H H 683 8.666 8.666 8.346 0.320 19229 182 1 1 . 1 1 684 684 GLN N N 684 114.943 114.943 120.093 -5.150 19229 183 1 1 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.688 -0.723 19229 184 1 1 . 1 1 684 684 GLN C C 684 176.002 176.002 174.939 1.063 19229 185 1 1 . 1 1 684 684 GLN CA C 684 54.595 54.595 53.306 1.289 19229 186 1 1 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.730 -0.974 19229 187 1 1 . 1 1 684 684 GLN H H 684 8.655 8.655 8.556 0.099 19229 188 1 1 . 1 1 685 685 HIS N N 685 121.485 121.485 119.461 2.024 19229 189 1 1 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.748 0.263 19229 190 1 1 . 1 1 685 685 HIS C C 685 175.990 175.990 176.395 -0.405 19229 191 1 1 . 1 1 685 685 HIS CA C 685 58.024 58.024 56.139 1.885 19229 192 1 1 . 1 1 685 685 HIS CB C 685 31.454 31.454 30.756 0.698 19229 193 1 1 . 1 1 685 685 HIS H H 685 9.487 9.487 8.205 1.282 19229 194 1 1 . 1 1 686 686 ALA N N 686 125.728 125.728 129.510 -3.782 19229 195 1 1 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.174 -0.472 19229 196 1 1 . 1 1 686 686 ALA C C 686 179.000 179.000 178.851 0.149 19229 197 1 1 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.758 -0.600 19229 198 1 1 . 1 1 686 686 ALA CB C 686 17.858 17.858 18.920 -1.062 19229 199 1 1 . 1 1 686 686 ALA H H 686 8.436 8.436 8.891 -0.455 19229 200 1 1 . 1 1 687 687 LYS N N 687 116.216 116.216 115.298 0.918 19229 201 1 1 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.444 -0.320 19229 202 1 1 . 1 1 687 687 LYS C C 687 180.129 180.129 176.269 3.860 19229 203 1 1 . 1 1 687 687 LYS CA C 687 58.681 58.681 56.737 1.944 19229 204 1 1 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.266 0.996 19229 205 1 1 . 1 1 687 687 LYS H H 687 9.407 9.407 8.358 1.049 19229 206 1 1 . 1 1 688 688 CYS N N 688 117.136 117.136 117.454 -0.318 19229 207 1 1 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.609 -0.680 19229 208 1 1 . 1 1 688 688 CYS C C 688 176.439 176.439 175.671 0.768 19229 209 1 1 . 1 1 688 688 CYS CA C 688 62.584 62.584 59.198 3.386 19229 210 1 1 . 1 1 688 688 CYS CB C 688 30.149 30.149 28.307 1.842 19229 211 1 1 . 1 1 688 688 CYS H H 688 6.702 6.702 7.569 -0.867 19229 212 1 1 . 1 1 689 689 VAL N N 689 106.705 106.705 117.249 -10.544 19229 213 1 1 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.364 0.050 19229 214 1 1 . 1 1 689 689 VAL C C 689 175.007 175.007 175.322 -0.315 19229 215 1 1 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.857 -1.697 19229 216 1 1 . 1 1 689 689 VAL CB C 689 30.924 30.924 32.806 -1.882 19229 217 1 1 . 1 1 689 689 VAL H H 689 6.932 6.932 7.458 -0.526 19229 218 1 1 . 1 1 690 690 ASN N N 690 117.807 117.807 115.011 2.796 19229 219 1 1 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.457 -0.191 19229 220 1 1 . 1 1 690 690 ASN C C 690 173.405 173.405 174.098 -0.693 19229 221 1 1 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.800 -0.653 19229 222 1 1 . 1 1 690 690 ASN CB C 690 37.094 37.094 36.688 0.406 19229 223 1 1 . 1 1 690 690 ASN H H 690 7.770 7.770 8.199 -0.429 19229 224 1 1 . 1 1 691 691 TYR N N 691 120.010 120.010 119.710 0.300 19229 225 1 1 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.803 -0.363 19229 226 1 1 . 1 1 691 691 TYR C C 691 174.073 174.073 173.248 0.825 19229 227 1 1 . 1 1 691 691 TYR CA C 691 57.695 57.695 57.201 0.494 19229 228 1 1 . 1 1 691 691 TYR CB C 691 40.575 40.575 42.162 -1.587 19229 229 1 1 . 1 1 691 691 TYR H H 691 8.271 8.271 8.396 -0.125 19229 230 1 1 . 1 1 692 692 ASP N N 692 126.612 126.612 118.138 8.474 19229 231 1 1 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.761 -0.396 19229 232 1 1 . 1 1 692 692 ASP C C 692 175.663 175.663 175.518 0.145 19229 233 1 1 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.428 0.406 19229 234 1 1 . 1 1 692 692 ASP CB C 692 41.374 41.374 44.205 -2.831 19229 235 1 1 . 1 1 692 692 ASP H H 692 7.799 7.799 7.610 0.189 19229 236 1 1 . 1 1 693 693 GLU N N 693 125.198 125.198 118.129 7.069 19229 237 1 1 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.092 -0.168 19229 238 1 1 . 1 1 693 693 GLU C C 693 177.119 177.119 178.252 -1.133 19229 239 1 1 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.676 -0.488 19229 240 1 1 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.253 -0.156 19229 241 1 1 . 1 1 693 693 GLU H H 693 8.792 8.792 8.788 0.004 19229 242 1 1 . 1 1 694 694 LYS N N 694 120.048 120.048 120.336 -0.288 19229 243 1 1 . 1 1 694 694 LYS HA H 694 4.070 4.070 4.002 0.068 19229 244 1 1 . 1 1 694 694 LYS C C 694 177.168 177.168 178.321 -1.153 19229 245 1 1 . 1 1 694 694 LYS CA C 694 57.554 57.554 59.058 -1.504 19229 246 1 1 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.007 -0.520 19229 247 1 1 . 1 1 694 694 LYS H H 694 8.294 8.294 7.995 0.299 19229 248 1 1 . 1 1 695 695 ASN N N 695 117.271 117.271 116.165 1.106 19229 249 1 1 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.673 -0.063 19229 250 1 1 . 1 1 695 695 ASN C C 695 175.517 175.517 176.608 -1.091 19229 251 1 1 . 1 1 695 695 ASN CA C 695 52.975 52.975 53.791 -0.816 19229 252 1 1 . 1 1 695 695 ASN CB C 695 38.673 38.673 39.057 -0.384 19229 253 1 1 . 1 1 695 695 ASN H H 695 7.809 7.809 8.145 -0.336 19229 254 1 1 . 1 1 696 696 LEU N N 696 122.015 122.015 122.334 -0.319 19229 255 1 1 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.363 -0.155 19229 256 1 1 . 1 1 696 696 LEU C C 696 177.823 177.823 177.705 0.118 19229 257 1 1 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.416 -0.214 19229 258 1 1 . 1 1 696 696 LEU CB C 696 42.125 42.125 41.914 0.211 19229 259 1 1 . 1 1 696 696 LEU H H 696 7.764 7.764 7.345 0.419 19229 260 1 1 . 1 1 697 697 LYS N N 697 116.437 116.437 117.824 -1.387 19229 261 1 1 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.068 0.069 19229 262 1 1 . 1 1 697 697 LYS C C 697 176.536 176.536 177.406 -0.870 19229 263 1 1 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.852 -1.895 19229 264 1 1 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.335 -0.284 19229 265 1 1 . 1 1 697 697 LYS H H 697 8.277 8.277 7.716 0.561 19229 266 1 1 . 1 1 698 698 ILE N N 698 117.807 117.807 116.888 0.919 19229 267 1 1 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.162 -0.095 19229 268 1 1 . 1 1 698 698 ILE C C 698 175.700 175.700 176.697 -0.997 19229 269 1 1 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.656 0.171 19229 270 1 1 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.227 -0.061 19229 271 1 1 . 1 1 698 698 ILE H H 698 7.650 7.650 7.362 0.288 19229 272 1 1 . 1 1 699 699 LYS N N 699 123.286 123.286 120.558 2.728 19229 273 1 1 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.665 0.090 19229 274 1 1 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.637 -1.240 19229 275 1 1 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.258 1.343 19229 276 1 1 . 1 1 699 699 LYS H H 699 8.121 8.121 8.226 -0.105 19229 277 1 1 . 1 1 700 700 PRO HA H 700 4.250 4.250 4.146 0.104 19229 278 1 1 . 1 1 700 700 PRO C C 700 175.213 175.213 175.632 -0.419 19229 279 1 1 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.169 -0.369 19229 280 1 1 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.977 0.745 19229 281 1 1 . 1 1 701 701 PHE N N 701 122.959 122.959 116.513 6.446 19229 282 1 1 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.403 -0.156 19229 283 1 1 . 1 1 701 701 PHE C C 701 171.657 171.657 172.977 -1.320 19229 284 1 1 . 1 1 701 701 PHE CA C 701 58.140 58.140 56.204 1.936 19229 285 1 1 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.355 -1.907 19229 286 1 1 . 1 1 701 701 PHE H H 701 8.042 8.042 7.184 0.858 19229 287 1 1 . 1 1 702 702 TYR N N 702 123.854 123.854 121.044 2.810 19229 288 1 1 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.763 0.267 19229 289 1 1 . 1 1 702 702 TYR C C 702 173.915 173.915 175.289 -1.374 19229 290 1 1 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.937 -2.131 19229 291 1 1 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.258 -1.189 19229 292 1 1 . 1 1 702 702 TYR H H 702 6.754 6.754 7.802 -1.048 19229 293 1 1 . 1 1 703 703 CYS N N 703 124.963 124.963 119.991 4.972 19229 294 1 1 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.865 -0.612 19229 295 1 1 . 1 1 703 703 CYS CA C 703 57.300 57.300 55.638 1.662 19229 296 1 1 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.802 1.149 19229 297 1 1 . 1 1 703 703 CYS H H 703 9.298 9.298 8.585 0.713 19229 298 1 1 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.161 -0.114 19229 299 1 1 . 1 1 704 704 PRO C C 704 178.818 178.818 178.072 0.746 19229 300 1 1 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.475 0.176 19229 301 1 1 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.521 0.470 19229 302 1 1 . 1 1 705 705 HIS N N 705 115.532 115.532 116.901 -1.369 19229 303 1 1 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.328 -0.046 19229 304 1 1 . 1 1 705 705 HIS C C 705 177.689 177.689 177.087 0.602 19229 305 1 1 . 1 1 705 705 HIS CA C 705 58.646 58.646 58.752 -0.105 19229 306 1 1 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.961 -0.235 19229 307 1 1 . 1 1 705 705 HIS H H 705 7.843 7.843 8.482 -0.639 19229 308 1 1 . 1 1 706 706 CYS N N 706 124.314 124.314 118.011 6.303 19229 309 1 1 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.074 -0.303 19229 310 1 1 . 1 1 706 706 CYS C C 706 177.204 177.204 177.052 0.152 19229 311 1 1 . 1 1 706 706 CYS CA C 706 64.247 64.247 62.682 1.565 19229 312 1 1 . 1 1 706 706 CYS CB C 706 29.443 29.443 25.925 3.518 19229 313 1 1 . 1 1 706 706 CYS H H 706 8.442 8.442 8.010 0.432 19229 314 1 1 . 1 1 707 707 LEU N N 707 119.208 119.208 121.237 -2.029 19229 315 1 1 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.939 -0.189 19229 316 1 1 . 1 1 707 707 LEU C C 707 178.903 178.903 178.851 0.052 19229 317 1 1 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.185 -0.983 19229 318 1 1 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.612 0.371 19229 319 1 1 . 1 1 707 707 LEU H H 707 8.162 8.162 7.362 0.800 19229 320 1 1 . 1 1 708 708 VAL N N 708 116.959 116.959 116.946 0.013 19229 321 1 1 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.965 -0.216 19229 322 1 1 . 1 1 708 708 VAL C C 708 176.876 176.876 177.471 -0.595 19229 323 1 1 . 1 1 708 708 VAL CA C 708 64.077 64.077 64.755 -0.678 19229 324 1 1 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.355 0.629 19229 325 1 1 . 1 1 708 708 VAL H H 708 7.161 7.161 7.752 -0.591 19229 326 1 1 . 1 1 709 709 ALA N N 709 122.758 122.758 119.957 2.801 19229 327 1 1 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.098 0.015 19229 328 1 1 . 1 1 709 709 ALA C C 709 177.859 177.859 178.682 -0.823 19229 329 1 1 . 1 1 709 709 ALA CA C 709 52.693 52.693 53.870 -1.177 19229 330 1 1 . 1 1 709 709 ALA CB C 709 18.736 18.736 19.161 -0.425 19229 331 1 1 . 1 1 709 709 ALA H H 709 7.408 7.408 7.581 -0.173 19229 332 1 1 . 1 1 710 710 MET N N 710 117.242 117.242 116.547 0.695 19229 333 1 1 . 1 1 710 710 MET HA H 710 4.197 4.197 4.223 -0.026 19229 334 1 1 . 1 1 710 710 MET C C 710 175.832 175.832 177.074 -1.242 19229 335 1 1 . 1 1 710 710 MET CA C 710 55.557 55.557 57.105 -1.548 19229 336 1 1 . 1 1 710 710 MET CB C 710 33.440 33.440 32.915 0.525 19229 337 1 1 . 1 1 710 710 MET H H 710 7.586 7.586 7.509 0.077 19229 338 1 1 . 1 1 711 711 GLU N N 711 122.546 122.546 119.336 3.210 19229 339 1 1 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.541 -0.154 19229 340 1 1 . 1 1 711 711 GLU CA C 711 54.384 54.384 53.904 0.480 19229 341 1 1 . 1 1 711 711 GLU CB C 711 29.444 29.444 29.513 -0.069 19229 342 1 1 . 1 1 711 711 GLU H H 711 7.828 7.828 7.460 0.368 19229 343 1 1 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.371 -0.039 19229 344 1 1 . 1 1 712 712 PRO C C 712 176.876 176.876 176.321 0.555 19229 345 1 1 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.802 0.192 19229 346 1 1 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.260 -0.338 19229 347 1 1 . 1 1 713 713 VAL N N 713 120.328 120.328 119.251 1.077 19229 348 1 1 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.483 -0.490 19229 349 1 1 . 1 1 713 713 VAL C C 713 176.257 176.257 176.003 0.254 19229 350 1 1 . 1 1 713 713 VAL CA C 713 62.133 62.133 61.036 1.097 19229 351 1 1 . 1 1 713 713 VAL CB C 713 32.615 32.615 33.496 -0.881 19229 352 1 1 . 1 1 713 713 VAL H H 713 8.157 8.157 7.989 0.168 19229 353 1 1 . 1 1 714 714 SER N N 714 119.503 119.503 121.425 -1.922 19229 354 1 1 . 1 1 714 714 SER HA H 714 4.440 4.440 4.508 -0.068 19229 355 1 1 . 1 1 714 714 SER C C 714 174.619 174.619 174.101 0.518 19229 356 1 1 . 1 1 714 714 SER CA C 714 57.976 57.976 58.818 -0.842 19229 357 1 1 . 1 1 714 714 SER CB C 714 63.816 63.816 62.275 1.542 19229 358 1 1 . 1 1 714 714 SER H H 714 8.368 8.368 8.726 -0.358 19229 359 1 1 . 1 1 715 715 THR N N 715 116.281 116.281 118.639 -2.358 19229 360 1 1 . 1 1 715 715 THR HA H 715 4.261 4.261 4.465 -0.204 19229 361 1 1 . 1 1 715 715 THR C C 715 173.559 173.559 173.170 0.389 19229 362 1 1 . 1 1 715 715 THR CA C 715 61.499 61.499 62.248 -0.749 19229 363 1 1 . 1 1 715 715 THR CB C 715 69.476 69.476 69.972 -0.496 19229 364 1 1 . 1 1 715 715 THR H H 715 8.141 8.141 7.712 0.429 19229 365 1 2 . 1 1 653 653 ASN N N 653 120.067 120.067 124.964 -4.897 19229 366 1 2 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.838 -0.250 19229 367 1 2 . 1 1 653 653 ASN C C 653 175.383 175.383 174.817 0.566 19229 368 1 2 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.032 0.162 19229 369 1 2 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.367 0.446 19229 370 1 2 . 1 1 653 653 ASN H H 653 8.357 8.357 8.644 -0.287 19229 371 1 2 . 1 1 654 654 THR N N 654 113.812 113.812 117.034 -3.222 19229 372 1 2 . 1 1 654 654 THR HA H 654 4.260 4.260 4.322 -0.062 19229 373 1 2 . 1 1 654 654 THR C C 654 174.825 174.825 175.050 -0.225 19229 374 1 2 . 1 1 654 654 THR CA C 654 61.806 61.806 62.232 -0.426 19229 375 1 2 . 1 1 654 654 THR CB C 654 69.645 69.645 69.285 0.360 19229 376 1 2 . 1 1 654 654 THR H H 654 8.040 8.040 7.822 0.218 19229 377 1 2 . 1 1 655 655 SER N N 655 117.231 117.231 122.027 -4.796 19229 378 1 2 . 1 1 655 655 SER HA H 655 4.367 4.367 4.468 -0.101 19229 379 1 2 . 1 1 655 655 SER C C 655 174.218 174.218 173.668 0.550 19229 380 1 2 . 1 1 655 655 SER CA C 655 58.681 58.681 58.827 -0.146 19229 381 1 2 . 1 1 655 655 SER CB C 655 63.586 63.586 64.039 -0.453 19229 382 1 2 . 1 1 655 655 SER H H 655 8.277 8.277 8.573 -0.296 19229 383 1 2 . 1 1 656 656 ASP N N 656 121.799 121.799 120.263 1.536 19229 384 1 2 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.493 0.038 19229 385 1 2 . 1 1 656 656 ASP C C 656 175.250 175.250 174.210 1.040 19229 386 1 2 . 1 1 656 656 ASP CA C 656 54.385 54.385 53.300 1.085 19229 387 1 2 . 1 1 656 656 ASP CB C 656 41.069 41.069 41.862 -0.793 19229 388 1 2 . 1 1 656 656 ASP H H 656 8.197 8.197 8.002 0.195 19229 389 1 2 . 1 1 657 657 TYR N N 657 122.165 122.165 118.874 3.291 19229 390 1 2 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.595 -0.148 19229 391 1 2 . 1 1 657 657 TYR C C 657 174.607 174.607 175.295 -0.688 19229 392 1 2 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.536 1.152 19229 393 1 2 . 1 1 657 657 TYR CB C 657 39.025 39.025 39.395 -0.370 19229 394 1 2 . 1 1 657 657 TYR H H 657 8.023 8.023 8.415 -0.392 19229 395 1 2 . 1 1 658 658 ARG N N 658 128.309 128.309 124.075 4.234 19229 396 1 2 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.082 0.295 19229 397 1 2 . 1 1 658 658 ARG C C 658 172.871 172.871 175.886 -3.015 19229 398 1 2 . 1 1 658 658 ARG CA C 658 55.440 55.440 56.370 -0.930 19229 399 1 2 . 1 1 658 658 ARG CB C 658 32.262 32.262 29.314 2.948 19229 400 1 2 . 1 1 658 658 ARG H H 658 8.637 8.637 8.782 -0.145 19229 401 1 2 . 1 1 659 659 PHE N N 659 125.304 125.304 119.011 6.293 19229 402 1 2 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.713 0.212 19229 403 1 2 . 1 1 659 659 PHE C C 659 174.558 174.558 174.696 -0.138 19229 404 1 2 . 1 1 659 659 PHE CA C 659 56.471 56.471 54.108 2.363 19229 405 1 2 . 1 1 659 659 PHE CB C 659 41.719 41.719 38.408 3.311 19229 406 1 2 . 1 1 659 659 PHE H H 659 8.551 8.551 7.532 1.019 19229 407 1 2 . 1 1 660 660 GLU N N 660 128.804 128.804 120.421 8.383 19229 408 1 2 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.584 -0.630 19229 409 1 2 . 1 1 660 660 GLU C C 660 172.361 172.361 175.652 -3.291 19229 410 1 2 . 1 1 660 660 GLU CA C 660 56.471 56.471 55.095 1.376 19229 411 1 2 . 1 1 660 660 GLU CB C 660 31.644 31.644 31.533 0.111 19229 412 1 2 . 1 1 660 660 GLU H H 660 7.833 7.833 7.682 0.151 19229 413 1 2 . 1 1 661 661 CYS N N 661 127.001 127.001 122.316 4.685 19229 414 1 2 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.686 -0.328 19229 415 1 2 . 1 1 661 661 CYS C C 661 176.221 176.221 177.165 -0.944 19229 416 1 2 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.867 0.178 19229 417 1 2 . 1 1 661 661 CYS CB C 661 30.839 30.839 28.397 2.442 19229 418 1 2 . 1 1 661 661 CYS H H 661 8.356 8.356 8.776 -0.420 19229 419 1 2 . 1 1 662 662 ILE N N 662 127.765 127.765 122.311 5.454 19229 420 1 2 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.956 0.172 19229 421 1 2 . 1 1 662 662 ILE C C 662 176.439 176.439 176.211 0.228 19229 422 1 2 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.599 -0.293 19229 423 1 2 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.155 1.307 19229 424 1 2 . 1 1 662 662 ILE H H 662 8.075 8.075 8.617 -0.542 19229 425 1 2 . 1 1 663 663 CYS N N 663 120.000 120.000 117.188 2.812 19229 426 1 2 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.792 -0.254 19229 427 1 2 . 1 1 663 663 CYS C C 663 177.046 177.046 176.501 0.545 19229 428 1 2 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.440 0.452 19229 429 1 2 . 1 1 663 663 CYS CB C 663 30.994 30.994 27.481 3.513 19229 430 1 2 . 1 1 663 663 CYS H H 663 7.661 7.661 8.313 -0.652 19229 431 1 2 . 1 1 664 664 GLY N N 664 110.372 110.372 110.545 -0.173 19229 432 1 2 . 1 1 664 664 GLY C C 664 173.818 173.818 174.552 -0.734 19229 433 1 2 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.630 0.229 19229 434 1 2 . 1 1 664 664 GLY H H 664 7.855 7.855 8.139 -0.284 19229 435 1 2 . 1 1 665 665 GLU N N 665 122.002 122.002 120.278 1.724 19229 436 1 2 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.469 -0.116 19229 437 1 2 . 1 1 665 665 GLU C C 665 175.990 175.990 176.941 -0.951 19229 438 1 2 . 1 1 665 665 GLU CA C 665 56.286 56.286 55.507 0.779 19229 439 1 2 . 1 1 665 665 GLU CB C 665 31.276 31.276 30.522 0.754 19229 440 1 2 . 1 1 665 665 GLU H H 665 8.276 8.276 7.787 0.489 19229 441 1 2 . 1 1 666 666 LEU N N 666 122.355 122.355 121.957 0.398 19229 442 1 2 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.209 0.140 19229 443 1 2 . 1 1 666 666 LEU C C 666 176.816 176.816 177.057 -0.241 19229 444 1 2 . 1 1 666 666 LEU CA C 666 54.595 54.595 55.193 -0.598 19229 445 1 2 . 1 1 666 666 LEU CB C 666 42.549 42.549 41.616 0.933 19229 446 1 2 . 1 1 666 666 LEU H H 666 8.341 8.341 8.402 -0.061 19229 447 1 2 . 1 1 667 667 ASP N N 667 121.075 121.075 125.411 -4.336 19229 448 1 2 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.396 -0.350 19229 449 1 2 . 1 1 667 667 ASP C C 667 175.432 175.432 174.919 0.513 19229 450 1 2 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.119 1.053 19229 451 1 2 . 1 1 667 667 ASP CB C 667 41.069 41.069 40.357 0.712 19229 452 1 2 . 1 1 667 667 ASP H H 667 8.325 8.325 8.747 -0.422 19229 453 1 2 . 1 1 668 668 GLN N N 668 121.978 121.978 119.603 2.375 19229 454 1 2 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.661 -0.464 19229 455 1 2 . 1 1 668 668 GLN C C 668 175.420 175.420 176.690 -1.270 19229 456 1 2 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.100 1.125 19229 457 1 2 . 1 1 668 668 GLN CB C 668 30.149 30.149 31.483 -1.334 19229 458 1 2 . 1 1 668 668 GLN H H 668 8.083 8.083 7.697 0.386 19229 459 1 2 . 1 1 669 669 ILE N N 669 120.079 120.079 121.596 -1.517 19229 460 1 2 . 1 1 669 669 ILE HA H 669 3.878 3.878 3.832 0.046 19229 461 1 2 . 1 1 669 669 ILE C C 669 175.347 175.347 176.667 -1.320 19229 462 1 2 . 1 1 669 669 ILE CA C 669 61.499 61.499 64.151 -2.652 19229 463 1 2 . 1 1 669 669 ILE CB C 669 37.123 37.123 38.044 -0.921 19229 464 1 2 . 1 1 669 669 ILE H H 669 8.155 8.155 8.570 -0.415 19229 465 1 2 . 1 1 670 670 ASP N N 670 123.410 123.410 118.089 5.321 19229 466 1 2 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.375 0.050 19229 467 1 2 . 1 1 670 670 ASP C C 670 176.124 176.124 177.275 -1.151 19229 468 1 2 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.646 -3.037 19229 469 1 2 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.404 0.735 19229 470 1 2 . 1 1 670 670 ASP H H 670 7.992 7.992 8.273 -0.281 19229 471 1 2 . 1 1 671 671 ARG N N 671 118.285 118.285 118.534 -0.249 19229 472 1 2 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.403 -0.234 19229 473 1 2 . 1 1 671 671 ARG C C 671 176.476 176.476 176.586 -0.110 19229 474 1 2 . 1 1 671 671 ARG CA C 671 56.038 56.038 57.003 -0.965 19229 475 1 2 . 1 1 671 671 ARG CB C 671 29.552 29.552 31.224 -1.672 19229 476 1 2 . 1 1 671 671 ARG H H 671 8.274 8.274 7.717 0.557 19229 477 1 2 . 1 1 672 672 LYS N N 672 122.196 122.196 117.268 4.928 19229 478 1 2 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.894 -0.408 19229 479 1 2 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.513 2.434 19229 480 1 2 . 1 1 672 672 LYS CB C 672 32.262 32.262 33.539 -1.277 19229 481 1 2 . 1 1 672 672 LYS H H 672 8.060 8.060 7.947 0.113 19229 482 1 2 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.373 0.025 19229 483 1 2 . 1 1 673 673 PRO C C 673 177.204 177.204 175.746 1.458 19229 484 1 2 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.304 0.660 19229 485 1 2 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.306 0.232 19229 486 1 2 . 1 1 674 674 ARG N N 674 123.076 123.076 118.735 4.341 19229 487 1 2 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.614 0.874 19229 488 1 2 . 1 1 674 674 ARG C C 674 174.473 174.473 174.836 -0.363 19229 489 1 2 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.636 0.347 19229 490 1 2 . 1 1 674 674 ARG CB C 674 35.552 35.552 33.407 2.145 19229 491 1 2 . 1 1 674 674 ARG H H 674 8.982 8.982 8.197 0.785 19229 492 1 2 . 1 1 675 675 VAL N N 675 116.941 116.941 119.135 -2.194 19229 493 1 2 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.116 0.334 19229 494 1 2 . 1 1 675 675 VAL C C 675 171.342 171.342 175.092 -3.750 19229 495 1 2 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.593 -1.067 19229 496 1 2 . 1 1 675 675 VAL CB C 675 35.310 35.310 32.771 2.539 19229 497 1 2 . 1 1 675 675 VAL H H 675 9.109 9.109 8.747 0.362 19229 498 1 2 . 1 1 676 676 GLN N N 676 126.293 126.293 127.031 -0.738 19229 499 1 2 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.771 -0.718 19229 500 1 2 . 1 1 676 676 GLN C C 676 174.910 174.910 175.709 -0.799 19229 501 1 2 . 1 1 676 676 GLN CA C 676 53.209 53.209 55.154 -1.945 19229 502 1 2 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.245 1.855 19229 503 1 2 . 1 1 676 676 GLN H H 676 7.755 7.755 8.630 -0.875 19229 504 1 2 . 1 1 677 677 CYS N N 677 128.217 128.217 125.449 2.768 19229 505 1 2 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.638 -0.565 19229 506 1 2 . 1 1 677 677 CYS C C 677 177.471 177.471 176.917 0.554 19229 507 1 2 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.826 0.623 19229 508 1 2 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.917 4.810 19229 509 1 2 . 1 1 677 677 CYS H H 677 8.366 8.366 8.826 -0.460 19229 510 1 2 . 1 1 678 678 LEU N N 678 131.279 131.279 126.373 4.906 19229 511 1 2 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.217 -0.379 19229 512 1 2 . 1 1 678 678 LEU C C 678 176.718 176.718 177.433 -0.715 19229 513 1 2 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.594 -0.745 19229 514 1 2 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.496 0.558 19229 515 1 2 . 1 1 678 678 LEU H H 678 8.304 8.304 8.050 0.254 19229 516 1 2 . 1 1 679 679 LYS N N 679 120.707 120.707 118.050 2.657 19229 517 1 2 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.207 0.128 19229 518 1 2 . 1 1 679 679 LYS C C 679 176.160 176.160 177.417 -1.257 19229 519 1 2 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.229 -0.243 19229 520 1 2 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.838 0.199 19229 521 1 2 . 1 1 679 679 LYS H H 679 8.752 8.752 8.293 0.459 19229 522 1 2 . 1 1 680 680 CYS N N 680 118.211 118.211 114.223 3.988 19229 523 1 2 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.813 -0.347 19229 524 1 2 . 1 1 680 680 CYS C C 680 176.306 176.306 174.626 1.680 19229 525 1 2 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.637 1.537 19229 526 1 2 . 1 1 680 680 CYS CB C 680 31.346 31.346 28.115 3.231 19229 527 1 2 . 1 1 680 680 CYS H H 680 8.230 8.230 7.722 0.508 19229 528 1 2 . 1 1 681 681 HIS N N 681 113.392 113.392 117.332 -3.940 19229 529 1 2 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.915 0.289 19229 530 1 2 . 1 1 681 681 HIS C C 681 173.478 173.478 173.109 0.369 19229 531 1 2 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.162 0.828 19229 532 1 2 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.399 -0.843 19229 533 1 2 . 1 1 681 681 HIS H H 681 7.149 7.149 8.414 -1.265 19229 534 1 2 . 1 1 682 682 LEU N N 682 124.066 124.066 121.138 2.928 19229 535 1 2 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.220 0.075 19229 536 1 2 . 1 1 682 682 LEU C C 682 176.670 176.670 174.785 1.885 19229 537 1 2 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.118 3.109 19229 538 1 2 . 1 1 682 682 LEU CB C 682 44.035 44.035 42.312 1.723 19229 539 1 2 . 1 1 682 682 LEU H H 682 8.172 8.172 7.556 0.616 19229 540 1 2 . 1 1 683 683 TRP N N 683 124.208 124.208 127.767 -3.559 19229 541 1 2 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.681 0.410 19229 542 1 2 . 1 1 683 683 TRP C C 683 174.133 174.133 175.054 -0.921 19229 543 1 2 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.770 0.953 19229 544 1 2 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.102 1.712 19229 545 1 2 . 1 1 683 683 TRP H H 683 8.666 8.666 8.388 0.278 19229 546 1 2 . 1 1 684 684 GLN N N 684 114.943 114.943 120.305 -5.362 19229 547 1 2 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.686 -0.721 19229 548 1 2 . 1 1 684 684 GLN C C 684 176.002 176.002 174.396 1.606 19229 549 1 2 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.586 0.009 19229 550 1 2 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.633 -0.878 19229 551 1 2 . 1 1 684 684 GLN H H 684 8.655 8.655 8.449 0.206 19229 552 1 2 . 1 1 685 685 HIS N N 685 121.485 121.485 120.294 1.191 19229 553 1 2 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.660 0.351 19229 554 1 2 . 1 1 685 685 HIS C C 685 175.990 175.990 175.845 0.145 19229 555 1 2 . 1 1 685 685 HIS CA C 685 58.024 58.024 57.535 0.489 19229 556 1 2 . 1 1 685 685 HIS CB C 685 31.454 31.454 30.752 0.702 19229 557 1 2 . 1 1 685 685 HIS H H 685 9.487 9.487 8.199 1.288 19229 558 1 2 . 1 1 686 686 ALA N N 686 125.728 125.728 128.784 -3.056 19229 559 1 2 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.054 -0.352 19229 560 1 2 . 1 1 686 686 ALA C C 686 179.000 179.000 179.486 -0.486 19229 561 1 2 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.600 -0.442 19229 562 1 2 . 1 1 686 686 ALA CB C 686 17.858 17.858 18.860 -1.002 19229 563 1 2 . 1 1 686 686 ALA H H 686 8.436 8.436 8.701 -0.265 19229 564 1 2 . 1 1 687 687 LYS N N 687 116.216 116.216 117.467 -1.251 19229 565 1 2 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.314 -0.190 19229 566 1 2 . 1 1 687 687 LYS C C 687 180.129 180.129 178.145 1.984 19229 567 1 2 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.213 0.468 19229 568 1 2 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.702 0.560 19229 569 1 2 . 1 1 687 687 LYS H H 687 9.407 9.407 8.167 1.240 19229 570 1 2 . 1 1 688 688 CYS N N 688 117.136 117.136 114.824 2.312 19229 571 1 2 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.463 -0.534 19229 572 1 2 . 1 1 688 688 CYS C C 688 176.439 176.439 176.502 -0.063 19229 573 1 2 . 1 1 688 688 CYS CA C 688 62.584 62.584 60.902 1.682 19229 574 1 2 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.634 3.515 19229 575 1 2 . 1 1 688 688 CYS H H 688 6.702 6.702 8.165 -1.463 19229 576 1 2 . 1 1 689 689 VAL N N 689 106.705 106.705 113.223 -6.518 19229 577 1 2 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.338 0.076 19229 578 1 2 . 1 1 689 689 VAL C C 689 175.007 175.007 174.644 0.363 19229 579 1 2 . 1 1 689 689 VAL CA C 689 60.160 60.160 62.345 -2.185 19229 580 1 2 . 1 1 689 689 VAL CB C 689 30.924 30.924 32.125 -1.201 19229 581 1 2 . 1 1 689 689 VAL H H 689 6.932 6.932 7.312 -0.380 19229 582 1 2 . 1 1 690 690 ASN N N 690 117.807 117.807 117.388 0.419 19229 583 1 2 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.392 -0.126 19229 584 1 2 . 1 1 690 690 ASN C C 690 173.405 173.405 173.937 -0.532 19229 585 1 2 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.512 -0.365 19229 586 1 2 . 1 1 690 690 ASN CB C 690 37.094 37.094 36.934 0.160 19229 587 1 2 . 1 1 690 690 ASN H H 690 7.770 7.770 7.755 0.015 19229 588 1 2 . 1 1 691 691 TYR N N 691 120.010 120.010 119.687 0.323 19229 589 1 2 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.630 -0.190 19229 590 1 2 . 1 1 691 691 TYR C C 691 174.073 174.073 172.552 1.521 19229 591 1 2 . 1 1 691 691 TYR CA C 691 57.695 57.695 57.852 -0.157 19229 592 1 2 . 1 1 691 691 TYR CB C 691 40.575 40.575 42.200 -1.625 19229 593 1 2 . 1 1 691 691 TYR H H 691 8.271 8.271 7.652 0.619 19229 594 1 2 . 1 1 692 692 ASP N N 692 126.612 126.612 120.344 6.268 19229 595 1 2 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.962 -0.597 19229 596 1 2 . 1 1 692 692 ASP C C 692 175.663 175.663 176.241 -0.578 19229 597 1 2 . 1 1 692 692 ASP CA C 692 52.834 52.834 51.547 1.287 19229 598 1 2 . 1 1 692 692 ASP CB C 692 41.374 41.374 44.165 -2.791 19229 599 1 2 . 1 1 692 692 ASP H H 692 7.799 7.799 7.871 -0.072 19229 600 1 2 . 1 1 693 693 GLU N N 693 125.198 125.198 122.624 2.574 19229 601 1 2 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.048 -0.124 19229 602 1 2 . 1 1 693 693 GLU C C 693 177.119 177.119 177.570 -0.451 19229 603 1 2 . 1 1 693 693 GLU CA C 693 58.188 58.188 59.244 -1.056 19229 604 1 2 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.372 -0.275 19229 605 1 2 . 1 1 693 693 GLU H H 693 8.792 8.792 8.811 -0.019 19229 606 1 2 . 1 1 694 694 LYS N N 694 120.048 120.048 119.402 0.646 19229 607 1 2 . 1 1 694 694 LYS HA H 694 4.070 4.070 4.088 -0.018 19229 608 1 2 . 1 1 694 694 LYS C C 694 177.168 177.168 177.430 -0.262 19229 609 1 2 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.387 -0.833 19229 610 1 2 . 1 1 694 694 LYS CB C 694 31.487 31.487 31.725 -0.238 19229 611 1 2 . 1 1 694 694 LYS H H 694 8.294 8.294 8.502 -0.208 19229 612 1 2 . 1 1 695 695 ASN N N 695 117.271 117.271 114.529 2.742 19229 613 1 2 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.762 -0.152 19229 614 1 2 . 1 1 695 695 ASN C C 695 175.517 175.517 175.415 0.102 19229 615 1 2 . 1 1 695 695 ASN CA C 695 52.975 52.975 52.621 0.354 19229 616 1 2 . 1 1 695 695 ASN CB C 695 38.673 38.673 39.652 -0.979 19229 617 1 2 . 1 1 695 695 ASN H H 695 7.809 7.809 7.769 0.040 19229 618 1 2 . 1 1 696 696 LEU N N 696 122.015 122.015 123.653 -1.638 19229 619 1 2 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.356 -0.148 19229 620 1 2 . 1 1 696 696 LEU C C 696 177.823 177.823 177.428 0.395 19229 621 1 2 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.591 -0.389 19229 622 1 2 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.153 -0.028 19229 623 1 2 . 1 1 696 696 LEU H H 696 7.764 7.764 7.398 0.366 19229 624 1 2 . 1 1 697 697 LYS N N 697 116.437 116.437 117.095 -0.658 19229 625 1 2 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.232 -0.095 19229 626 1 2 . 1 1 697 697 LYS C C 697 176.536 176.536 176.524 0.012 19229 627 1 2 . 1 1 697 697 LYS CA C 697 56.957 56.957 57.553 -0.596 19229 628 1 2 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.310 -0.259 19229 629 1 2 . 1 1 697 697 LYS H H 697 8.277 8.277 7.681 0.596 19229 630 1 2 . 1 1 698 698 ILE N N 698 117.807 117.807 117.990 -0.183 19229 631 1 2 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.203 -0.136 19229 632 1 2 . 1 1 698 698 ILE C C 698 175.700 175.700 176.427 -0.727 19229 633 1 2 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.462 0.365 19229 634 1 2 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.573 -0.407 19229 635 1 2 . 1 1 698 698 ILE H H 698 7.650 7.650 7.394 0.256 19229 636 1 2 . 1 1 699 699 LYS N N 699 123.286 123.286 120.952 2.334 19229 637 1 2 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.670 0.085 19229 638 1 2 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.483 -1.086 19229 639 1 2 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.178 1.423 19229 640 1 2 . 1 1 699 699 LYS H H 699 8.121 8.121 8.093 0.028 19229 641 1 2 . 1 1 700 700 PRO HA H 700 4.250 4.250 4.160 0.090 19229 642 1 2 . 1 1 700 700 PRO C C 700 175.213 175.213 175.779 -0.566 19229 643 1 2 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.292 -0.492 19229 644 1 2 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.921 0.801 19229 645 1 2 . 1 1 701 701 PHE N N 701 122.959 122.959 117.318 5.641 19229 646 1 2 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.582 -0.335 19229 647 1 2 . 1 1 701 701 PHE C C 701 171.657 171.657 173.081 -1.424 19229 648 1 2 . 1 1 701 701 PHE CA C 701 58.140 58.140 55.892 2.248 19229 649 1 2 . 1 1 701 701 PHE CB C 701 39.448 39.448 40.887 -1.439 19229 650 1 2 . 1 1 701 701 PHE H H 701 8.042 8.042 7.223 0.819 19229 651 1 2 . 1 1 702 702 TYR N N 702 123.854 123.854 122.239 1.615 19229 652 1 2 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.807 0.223 19229 653 1 2 . 1 1 702 702 TYR C C 702 173.915 173.915 175.403 -1.488 19229 654 1 2 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.815 -2.009 19229 655 1 2 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.115 -1.046 19229 656 1 2 . 1 1 702 702 TYR H H 702 6.754 6.754 7.862 -1.108 19229 657 1 2 . 1 1 703 703 CYS N N 703 124.963 124.963 119.987 4.976 19229 658 1 2 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.801 -0.548 19229 659 1 2 . 1 1 703 703 CYS CA C 703 57.300 57.300 56.254 1.046 19229 660 1 2 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.589 1.362 19229 661 1 2 . 1 1 703 703 CYS H H 703 9.298 9.298 8.505 0.793 19229 662 1 2 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.108 -0.061 19229 663 1 2 . 1 1 704 704 PRO C C 704 178.818 178.818 177.866 0.952 19229 664 1 2 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.463 0.188 19229 665 1 2 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.596 0.395 19229 666 1 2 . 1 1 705 705 HIS N N 705 115.532 115.532 116.121 -0.589 19229 667 1 2 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.504 -0.222 19229 668 1 2 . 1 1 705 705 HIS C C 705 177.689 177.689 177.747 -0.058 19229 669 1 2 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.085 -0.439 19229 670 1 2 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.171 0.555 19229 671 1 2 . 1 1 705 705 HIS H H 705 7.843 7.843 8.249 -0.406 19229 672 1 2 . 1 1 706 706 CYS N N 706 124.314 124.314 118.521 5.793 19229 673 1 2 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.243 -0.472 19229 674 1 2 . 1 1 706 706 CYS C C 706 177.204 177.204 176.830 0.374 19229 675 1 2 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.179 1.068 19229 676 1 2 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.105 3.338 19229 677 1 2 . 1 1 706 706 CYS H H 706 8.442 8.442 7.998 0.444 19229 678 1 2 . 1 1 707 707 LEU N N 707 119.208 119.208 121.522 -2.314 19229 679 1 2 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.930 -0.180 19229 680 1 2 . 1 1 707 707 LEU C C 707 178.903 178.903 178.713 0.190 19229 681 1 2 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.412 -1.210 19229 682 1 2 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.527 0.456 19229 683 1 2 . 1 1 707 707 LEU H H 707 8.162 8.162 7.549 0.613 19229 684 1 2 . 1 1 708 708 VAL N N 708 116.959 116.959 116.852 0.107 19229 685 1 2 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.592 0.157 19229 686 1 2 . 1 1 708 708 VAL C C 708 176.876 176.876 177.631 -0.755 19229 687 1 2 . 1 1 708 708 VAL CA C 708 64.077 64.077 66.232 -2.155 19229 688 1 2 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.478 0.506 19229 689 1 2 . 1 1 708 708 VAL H H 708 7.161 7.161 7.386 -0.225 19229 690 1 2 . 1 1 709 709 ALA N N 709 122.758 122.758 121.404 1.354 19229 691 1 2 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.103 0.010 19229 692 1 2 . 1 1 709 709 ALA C C 709 177.859 177.859 178.677 -0.818 19229 693 1 2 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.353 -1.660 19229 694 1 2 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.925 -0.189 19229 695 1 2 . 1 1 709 709 ALA H H 709 7.408 7.408 7.386 0.022 19229 696 1 2 . 1 1 710 710 MET N N 710 117.242 117.242 116.636 0.606 19229 697 1 2 . 1 1 710 710 MET HA H 710 4.197 4.197 4.321 -0.124 19229 698 1 2 . 1 1 710 710 MET C C 710 175.832 175.832 177.214 -1.382 19229 699 1 2 . 1 1 710 710 MET CA C 710 55.557 55.557 57.354 -1.797 19229 700 1 2 . 1 1 710 710 MET CB C 710 33.440 33.440 33.379 0.061 19229 701 1 2 . 1 1 710 710 MET H H 710 7.586 7.586 7.651 -0.065 19229 702 1 2 . 1 1 711 711 GLU N N 711 122.546 122.546 119.544 3.002 19229 703 1 2 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.469 -0.082 19229 704 1 2 . 1 1 711 711 GLU CA C 711 54.384 54.384 54.719 -0.335 19229 705 1 2 . 1 1 711 711 GLU CB C 711 29.444 29.444 29.570 -0.126 19229 706 1 2 . 1 1 711 711 GLU H H 711 7.828 7.828 7.737 0.091 19229 707 1 2 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.360 -0.028 19229 708 1 2 . 1 1 712 712 PRO C C 712 176.876 176.876 177.061 -0.185 19229 709 1 2 . 1 1 712 712 PRO CA C 712 62.994 62.994 63.310 -0.316 19229 710 1 2 . 1 1 712 712 PRO CB C 712 31.922 31.922 31.543 0.379 19229 711 1 2 . 1 1 713 713 VAL N N 713 120.328 120.328 122.128 -1.800 19229 712 1 2 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.080 -0.087 19229 713 1 2 . 1 1 713 713 VAL C C 713 176.257 176.257 176.929 -0.672 19229 714 1 2 . 1 1 713 713 VAL CA C 713 62.133 62.133 61.630 0.503 19229 715 1 2 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.039 0.576 19229 716 1 2 . 1 1 713 713 VAL H H 713 8.157 8.157 8.089 0.068 19229 717 1 2 . 1 1 714 714 SER N N 714 119.503 119.503 118.796 0.707 19229 718 1 2 . 1 1 714 714 SER HA H 714 4.440 4.440 4.604 -0.164 19229 719 1 2 . 1 1 714 714 SER C C 714 174.619 174.619 174.305 0.314 19229 720 1 2 . 1 1 714 714 SER CA C 714 57.976 57.976 58.749 -0.773 19229 721 1 2 . 1 1 714 714 SER CB C 714 63.816 63.816 63.566 0.250 19229 722 1 2 . 1 1 714 714 SER H H 714 8.368 8.368 8.440 -0.072 19229 723 1 2 . 1 1 715 715 THR N N 715 116.281 116.281 117.119 -0.838 19229 724 1 2 . 1 1 715 715 THR HA H 715 4.261 4.261 4.501 -0.240 19229 725 1 2 . 1 1 715 715 THR C C 715 173.559 173.559 173.821 -0.262 19229 726 1 2 . 1 1 715 715 THR CA C 715 61.499 61.499 61.693 -0.194 19229 727 1 2 . 1 1 715 715 THR CB C 715 69.476 69.476 70.474 -0.998 19229 728 1 2 . 1 1 715 715 THR H H 715 8.141 8.141 8.195 -0.054 19229 729 1 3 . 1 1 653 653 ASN N N 653 120.067 120.067 125.254 -5.187 19229 730 1 3 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.928 -0.340 19229 731 1 3 . 1 1 653 653 ASN C C 653 175.383 175.383 175.214 0.169 19229 732 1 3 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.196 -0.002 19229 733 1 3 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.865 -0.052 19229 734 1 3 . 1 1 653 653 ASN H H 653 8.357 8.357 8.713 -0.356 19229 735 1 3 . 1 1 654 654 THR N N 654 113.812 113.812 115.353 -1.541 19229 736 1 3 . 1 1 654 654 THR HA H 654 4.260 4.260 4.414 -0.154 19229 737 1 3 . 1 1 654 654 THR C C 654 174.825 174.825 174.878 -0.053 19229 738 1 3 . 1 1 654 654 THR CA C 654 61.806 61.806 62.726 -0.920 19229 739 1 3 . 1 1 654 654 THR CB C 654 69.645 69.645 69.475 0.170 19229 740 1 3 . 1 1 654 654 THR H H 654 8.040 8.040 8.493 -0.453 19229 741 1 3 . 1 1 655 655 SER N N 655 117.231 117.231 116.585 0.646 19229 742 1 3 . 1 1 655 655 SER HA H 655 4.367 4.367 4.513 -0.146 19229 743 1 3 . 1 1 655 655 SER C C 655 174.218 174.218 172.614 1.604 19229 744 1 3 . 1 1 655 655 SER CA C 655 58.681 58.681 57.750 0.931 19229 745 1 3 . 1 1 655 655 SER CB C 655 63.586 63.586 64.731 -1.145 19229 746 1 3 . 1 1 655 655 SER H H 655 8.277 8.277 7.952 0.325 19229 747 1 3 . 1 1 656 656 ASP N N 656 121.799 121.799 122.756 -0.957 19229 748 1 3 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.404 0.127 19229 749 1 3 . 1 1 656 656 ASP C C 656 175.250 175.250 174.331 0.919 19229 750 1 3 . 1 1 656 656 ASP CA C 656 54.385 54.385 53.794 0.591 19229 751 1 3 . 1 1 656 656 ASP CB C 656 41.069 41.069 41.654 -0.585 19229 752 1 3 . 1 1 656 656 ASP H H 656 8.197 8.197 8.093 0.104 19229 753 1 3 . 1 1 657 657 TYR N N 657 122.165 122.165 116.364 5.801 19229 754 1 3 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.569 -0.123 19229 755 1 3 . 1 1 657 657 TYR C C 657 174.607 174.607 175.374 -0.767 19229 756 1 3 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.307 1.381 19229 757 1 3 . 1 1 657 657 TYR CB C 657 39.025 39.025 40.830 -1.805 19229 758 1 3 . 1 1 657 657 TYR H H 657 8.023 8.023 8.279 -0.256 19229 759 1 3 . 1 1 658 658 ARG N N 658 128.309 128.309 126.101 2.208 19229 760 1 3 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.173 0.204 19229 761 1 3 . 1 1 658 658 ARG C C 658 172.871 172.871 175.399 -2.528 19229 762 1 3 . 1 1 658 658 ARG CA C 658 55.440 55.440 54.891 0.549 19229 763 1 3 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.351 3.911 19229 764 1 3 . 1 1 658 658 ARG H H 658 8.637 8.637 8.762 -0.125 19229 765 1 3 . 1 1 659 659 PHE N N 659 125.304 125.304 119.792 5.512 19229 766 1 3 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.480 0.445 19229 767 1 3 . 1 1 659 659 PHE C C 659 174.558 174.558 175.270 -0.712 19229 768 1 3 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.123 0.347 19229 769 1 3 . 1 1 659 659 PHE CB C 659 41.719 41.719 37.821 3.898 19229 770 1 3 . 1 1 659 659 PHE H H 659 8.551 8.551 7.000 1.551 19229 771 1 3 . 1 1 660 660 GLU N N 660 128.804 128.804 124.997 3.807 19229 772 1 3 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.606 -0.652 19229 773 1 3 . 1 1 660 660 GLU C C 660 172.361 172.361 174.611 -2.250 19229 774 1 3 . 1 1 660 660 GLU CA C 660 56.471 56.471 55.145 1.326 19229 775 1 3 . 1 1 660 660 GLU CB C 660 31.644 31.644 33.147 -1.502 19229 776 1 3 . 1 1 660 660 GLU H H 660 7.833 7.833 8.020 -0.187 19229 777 1 3 . 1 1 661 661 CYS N N 661 127.001 127.001 122.029 4.972 19229 778 1 3 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.698 -0.340 19229 779 1 3 . 1 1 661 661 CYS C C 661 176.221 176.221 177.073 -0.852 19229 780 1 3 . 1 1 661 661 CYS CA C 661 59.045 59.045 59.070 -0.025 19229 781 1 3 . 1 1 661 661 CYS CB C 661 30.839 30.839 28.654 2.185 19229 782 1 3 . 1 1 661 661 CYS H H 661 8.356 8.356 8.429 -0.073 19229 783 1 3 . 1 1 662 662 ILE N N 662 127.765 127.765 121.609 6.156 19229 784 1 3 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.937 0.191 19229 785 1 3 . 1 1 662 662 ILE C C 662 176.439 176.439 176.200 0.239 19229 786 1 3 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.283 0.023 19229 787 1 3 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.444 1.018 19229 788 1 3 . 1 1 662 662 ILE H H 662 8.075 8.075 8.488 -0.413 19229 789 1 3 . 1 1 663 663 CYS N N 663 120.000 120.000 115.109 4.891 19229 790 1 3 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.586 -0.048 19229 791 1 3 . 1 1 663 663 CYS C C 663 177.046 177.046 176.377 0.669 19229 792 1 3 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.133 0.759 19229 793 1 3 . 1 1 663 663 CYS CB C 663 30.994 30.994 27.250 3.744 19229 794 1 3 . 1 1 663 663 CYS H H 663 7.661 7.661 7.754 -0.093 19229 795 1 3 . 1 1 664 664 GLY N N 664 110.372 110.372 112.158 -1.786 19229 796 1 3 . 1 1 664 664 GLY C C 664 173.818 173.818 174.472 -0.654 19229 797 1 3 . 1 1 664 664 GLY CA C 664 45.859 45.859 46.290 -0.431 19229 798 1 3 . 1 1 664 664 GLY H H 664 7.855 7.855 8.090 -0.235 19229 799 1 3 . 1 1 665 665 GLU N N 665 122.002 122.002 119.242 2.760 19229 800 1 3 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.434 -0.081 19229 801 1 3 . 1 1 665 665 GLU C C 665 175.990 175.990 176.158 -0.168 19229 802 1 3 . 1 1 665 665 GLU CA C 665 56.286 56.286 56.939 -0.653 19229 803 1 3 . 1 1 665 665 GLU CB C 665 31.276 31.276 31.453 -0.177 19229 804 1 3 . 1 1 665 665 GLU H H 665 8.276 8.276 8.311 -0.035 19229 805 1 3 . 1 1 666 666 LEU N N 666 122.355 122.355 118.394 3.961 19229 806 1 3 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.653 -0.304 19229 807 1 3 . 1 1 666 666 LEU C C 666 176.816 176.816 174.690 2.126 19229 808 1 3 . 1 1 666 666 LEU CA C 666 54.595 54.595 54.064 0.531 19229 809 1 3 . 1 1 666 666 LEU CB C 666 42.549 42.549 45.056 -2.507 19229 810 1 3 . 1 1 666 666 LEU H H 666 8.341 8.341 8.261 0.080 19229 811 1 3 . 1 1 667 667 ASP N N 667 121.075 121.075 120.301 0.774 19229 812 1 3 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.911 -0.865 19229 813 1 3 . 1 1 667 667 ASP C C 667 175.432 175.432 174.707 0.725 19229 814 1 3 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.776 0.396 19229 815 1 3 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.142 -0.072 19229 816 1 3 . 1 1 667 667 ASP H H 667 8.325 8.325 8.348 -0.023 19229 817 1 3 . 1 1 668 668 GLN N N 668 121.978 121.978 119.952 2.026 19229 818 1 3 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.797 -0.600 19229 819 1 3 . 1 1 668 668 GLN C C 668 175.420 175.420 174.679 0.741 19229 820 1 3 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.360 0.865 19229 821 1 3 . 1 1 668 668 GLN CB C 668 30.149 30.149 31.595 -1.446 19229 822 1 3 . 1 1 668 668 GLN H H 668 8.083 8.083 7.944 0.139 19229 823 1 3 . 1 1 669 669 ILE N N 669 120.079 120.079 117.929 2.150 19229 824 1 3 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.031 -0.153 19229 825 1 3 . 1 1 669 669 ILE C C 669 175.347 175.347 176.010 -0.663 19229 826 1 3 . 1 1 669 669 ILE CA C 669 61.499 61.499 61.803 -0.305 19229 827 1 3 . 1 1 669 669 ILE CB C 669 37.123 37.123 38.575 -1.452 19229 828 1 3 . 1 1 669 669 ILE H H 669 8.155 8.155 8.447 -0.292 19229 829 1 3 . 1 1 670 670 ASP N N 670 123.410 123.410 119.704 3.706 19229 830 1 3 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.402 0.024 19229 831 1 3 . 1 1 670 670 ASP C C 670 176.124 176.124 177.389 -1.265 19229 832 1 3 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.425 -2.817 19229 833 1 3 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.980 0.160 19229 834 1 3 . 1 1 670 670 ASP H H 670 7.992 7.992 7.773 0.219 19229 835 1 3 . 1 1 671 671 ARG N N 671 118.285 118.285 120.148 -1.863 19229 836 1 3 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.183 -0.014 19229 837 1 3 . 1 1 671 671 ARG C C 671 176.476 176.476 175.745 0.731 19229 838 1 3 . 1 1 671 671 ARG CA C 671 56.038 56.038 57.636 -1.597 19229 839 1 3 . 1 1 671 671 ARG CB C 671 29.552 29.552 31.060 -1.508 19229 840 1 3 . 1 1 671 671 ARG H H 671 8.274 8.274 8.140 0.134 19229 841 1 3 . 1 1 672 672 LYS N N 672 122.196 122.196 118.704 3.492 19229 842 1 3 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.620 -0.134 19229 843 1 3 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.275 2.672 19229 844 1 3 . 1 1 672 672 LYS CB C 672 32.262 32.262 31.886 0.376 19229 845 1 3 . 1 1 672 672 LYS H H 672 8.060 8.060 8.016 0.044 19229 846 1 3 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.441 -0.043 19229 847 1 3 . 1 1 673 673 PRO C C 673 177.204 177.204 176.132 1.072 19229 848 1 3 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.240 0.723 19229 849 1 3 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.154 0.384 19229 850 1 3 . 1 1 674 674 ARG N N 674 123.076 123.076 120.941 2.135 19229 851 1 3 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.912 0.576 19229 852 1 3 . 1 1 674 674 ARG C C 674 174.473 174.473 174.672 -0.199 19229 853 1 3 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.099 0.885 19229 854 1 3 . 1 1 674 674 ARG CB C 674 35.552 35.552 33.266 2.286 19229 855 1 3 . 1 1 674 674 ARG H H 674 8.982 8.982 8.290 0.692 19229 856 1 3 . 1 1 675 675 VAL N N 675 116.941 116.941 119.998 -3.057 19229 857 1 3 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.234 0.216 19229 858 1 3 . 1 1 675 675 VAL C C 675 171.342 171.342 174.937 -3.595 19229 859 1 3 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.160 -0.633 19229 860 1 3 . 1 1 675 675 VAL CB C 675 35.310 35.310 33.156 2.154 19229 861 1 3 . 1 1 675 675 VAL H H 675 9.109 9.109 8.560 0.549 19229 862 1 3 . 1 1 676 676 GLN N N 676 126.293 126.293 125.859 0.434 19229 863 1 3 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.827 -0.774 19229 864 1 3 . 1 1 676 676 GLN C C 676 174.910 174.910 175.669 -0.759 19229 865 1 3 . 1 1 676 676 GLN CA C 676 53.209 53.209 54.838 -1.629 19229 866 1 3 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.373 1.727 19229 867 1 3 . 1 1 676 676 GLN H H 676 7.755 7.755 8.677 -0.922 19229 868 1 3 . 1 1 677 677 CYS N N 677 128.217 128.217 126.076 2.141 19229 869 1 3 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.757 -0.684 19229 870 1 3 . 1 1 677 677 CYS C C 677 177.471 177.471 176.935 0.536 19229 871 1 3 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.437 1.012 19229 872 1 3 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.603 5.124 19229 873 1 3 . 1 1 677 677 CYS H H 677 8.366 8.366 8.852 -0.486 19229 874 1 3 . 1 1 678 678 LEU N N 678 131.279 131.279 126.622 4.657 19229 875 1 3 . 1 1 678 678 LEU HA H 678 3.838 3.838 3.973 -0.135 19229 876 1 3 . 1 1 678 678 LEU C C 678 176.718 176.718 177.236 -0.518 19229 877 1 3 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.434 -0.585 19229 878 1 3 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.304 0.750 19229 879 1 3 . 1 1 678 678 LEU H H 678 8.304 8.304 8.003 0.301 19229 880 1 3 . 1 1 679 679 LYS N N 679 120.707 120.707 117.271 3.436 19229 881 1 3 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.115 0.220 19229 882 1 3 . 1 1 679 679 LYS C C 679 176.160 176.160 177.246 -1.086 19229 883 1 3 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.427 -0.441 19229 884 1 3 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.590 0.447 19229 885 1 3 . 1 1 679 679 LYS H H 679 8.752 8.752 8.274 0.478 19229 886 1 3 . 1 1 680 680 CYS N N 680 118.211 118.211 114.049 4.162 19229 887 1 3 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.821 -0.355 19229 888 1 3 . 1 1 680 680 CYS C C 680 176.306 176.306 174.746 1.560 19229 889 1 3 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.625 1.549 19229 890 1 3 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.802 3.544 19229 891 1 3 . 1 1 680 680 CYS H H 680 8.230 8.230 7.681 0.549 19229 892 1 3 . 1 1 681 681 HIS N N 681 113.392 113.392 117.935 -4.543 19229 893 1 3 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.938 0.266 19229 894 1 3 . 1 1 681 681 HIS C C 681 173.478 173.478 173.211 0.267 19229 895 1 3 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.809 0.180 19229 896 1 3 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.015 -0.459 19229 897 1 3 . 1 1 681 681 HIS H H 681 7.149 7.149 8.128 -0.979 19229 898 1 3 . 1 1 682 682 LEU N N 682 124.066 124.066 121.074 2.992 19229 899 1 3 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.441 -0.146 19229 900 1 3 . 1 1 682 682 LEU C C 682 176.670 176.670 174.859 1.811 19229 901 1 3 . 1 1 682 682 LEU CA C 682 56.227 56.227 52.831 3.396 19229 902 1 3 . 1 1 682 682 LEU CB C 682 44.035 44.035 43.486 0.549 19229 903 1 3 . 1 1 682 682 LEU H H 682 8.172 8.172 7.507 0.665 19229 904 1 3 . 1 1 683 683 TRP N N 683 124.208 124.208 125.292 -1.084 19229 905 1 3 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.668 0.423 19229 906 1 3 . 1 1 683 683 TRP C C 683 174.133 174.133 175.389 -1.256 19229 907 1 3 . 1 1 683 683 TRP CA C 683 56.723 56.723 56.230 0.493 19229 908 1 3 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.637 1.177 19229 909 1 3 . 1 1 683 683 TRP H H 683 8.666 8.666 8.405 0.261 19229 910 1 3 . 1 1 684 684 GLN N N 684 114.943 114.943 119.227 -4.284 19229 911 1 3 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.672 -0.707 19229 912 1 3 . 1 1 684 684 GLN C C 684 176.002 176.002 174.157 1.845 19229 913 1 3 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.537 0.058 19229 914 1 3 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.601 -0.846 19229 915 1 3 . 1 1 684 684 GLN H H 684 8.655 8.655 8.577 0.078 19229 916 1 3 . 1 1 685 685 HIS N N 685 121.485 121.485 119.531 1.954 19229 917 1 3 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.885 0.126 19229 918 1 3 . 1 1 685 685 HIS C C 685 175.990 175.990 176.193 -0.203 19229 919 1 3 . 1 1 685 685 HIS CA C 685 58.024 58.024 55.671 2.353 19229 920 1 3 . 1 1 685 685 HIS CB C 685 31.454 31.454 31.215 0.239 19229 921 1 3 . 1 1 685 685 HIS H H 685 9.487 9.487 8.321 1.166 19229 922 1 3 . 1 1 686 686 ALA N N 686 125.728 125.728 128.938 -3.210 19229 923 1 3 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.202 -0.500 19229 924 1 3 . 1 1 686 686 ALA C C 686 179.000 179.000 178.615 0.385 19229 925 1 3 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.606 -0.448 19229 926 1 3 . 1 1 686 686 ALA CB C 686 17.858 17.858 18.946 -1.088 19229 927 1 3 . 1 1 686 686 ALA H H 686 8.436 8.436 8.702 -0.266 19229 928 1 3 . 1 1 687 687 LYS N N 687 116.216 116.216 114.375 1.841 19229 929 1 3 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.416 -0.292 19229 930 1 3 . 1 1 687 687 LYS C C 687 180.129 180.129 176.069 4.060 19229 931 1 3 . 1 1 687 687 LYS CA C 687 58.681 58.681 56.578 2.103 19229 932 1 3 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.272 0.990 19229 933 1 3 . 1 1 687 687 LYS H H 687 9.407 9.407 8.050 1.357 19229 934 1 3 . 1 1 688 688 CYS N N 688 117.136 117.136 117.471 -0.335 19229 935 1 3 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.762 -0.833 19229 936 1 3 . 1 1 688 688 CYS C C 688 176.439 176.439 175.337 1.102 19229 937 1 3 . 1 1 688 688 CYS CA C 688 62.584 62.584 59.346 3.238 19229 938 1 3 . 1 1 688 688 CYS CB C 688 30.149 30.149 28.142 2.007 19229 939 1 3 . 1 1 688 688 CYS H H 688 6.702 6.702 7.610 -0.908 19229 940 1 3 . 1 1 689 689 VAL N N 689 106.705 106.705 117.605 -10.900 19229 941 1 3 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.363 0.051 19229 942 1 3 . 1 1 689 689 VAL C C 689 175.007 175.007 175.184 -0.177 19229 943 1 3 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.564 -1.404 19229 944 1 3 . 1 1 689 689 VAL CB C 689 30.924 30.924 33.103 -2.179 19229 945 1 3 . 1 1 689 689 VAL H H 689 6.932 6.932 7.306 -0.374 19229 946 1 3 . 1 1 690 690 ASN N N 690 117.807 117.807 115.720 2.087 19229 947 1 3 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.446 -0.180 19229 948 1 3 . 1 1 690 690 ASN C C 690 173.405 173.405 173.909 -0.504 19229 949 1 3 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.715 -0.568 19229 950 1 3 . 1 1 690 690 ASN CB C 690 37.094 37.094 36.495 0.599 19229 951 1 3 . 1 1 690 690 ASN H H 690 7.770 7.770 7.969 -0.199 19229 952 1 3 . 1 1 691 691 TYR N N 691 120.010 120.010 118.359 1.651 19229 953 1 3 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.687 -0.247 19229 954 1 3 . 1 1 691 691 TYR C C 691 174.073 174.073 173.230 0.843 19229 955 1 3 . 1 1 691 691 TYR CA C 691 57.695 57.695 57.922 -0.227 19229 956 1 3 . 1 1 691 691 TYR CB C 691 40.575 40.575 42.091 -1.516 19229 957 1 3 . 1 1 691 691 TYR H H 691 8.271 8.271 7.986 0.285 19229 958 1 3 . 1 1 692 692 ASP N N 692 126.612 126.612 117.767 8.845 19229 959 1 3 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.732 -0.367 19229 960 1 3 . 1 1 692 692 ASP C C 692 175.663 175.663 175.058 0.605 19229 961 1 3 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.877 -0.043 19229 962 1 3 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.421 -2.047 19229 963 1 3 . 1 1 692 692 ASP H H 692 7.799 7.799 7.601 0.199 19229 964 1 3 . 1 1 693 693 GLU N N 693 125.198 125.198 117.574 7.624 19229 965 1 3 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.024 -0.100 19229 966 1 3 . 1 1 693 693 GLU C C 693 177.119 177.119 177.920 -0.801 19229 967 1 3 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.642 -0.454 19229 968 1 3 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.267 -0.170 19229 969 1 3 . 1 1 693 693 GLU H H 693 8.792 8.792 8.706 0.086 19229 970 1 3 . 1 1 694 694 LYS N N 694 120.048 120.048 120.314 -0.266 19229 971 1 3 . 1 1 694 694 LYS HA H 694 4.070 4.070 3.965 0.105 19229 972 1 3 . 1 1 694 694 LYS C C 694 177.168 177.168 178.955 -1.787 19229 973 1 3 . 1 1 694 694 LYS CA C 694 57.554 57.554 59.036 -1.482 19229 974 1 3 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.008 -0.521 19229 975 1 3 . 1 1 694 694 LYS H H 694 8.294 8.294 7.773 0.521 19229 976 1 3 . 1 1 695 695 ASN N N 695 117.271 117.271 117.030 0.241 19229 977 1 3 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.508 0.102 19229 978 1 3 . 1 1 695 695 ASN C C 695 175.517 175.517 176.731 -1.214 19229 979 1 3 . 1 1 695 695 ASN CA C 695 52.975 52.975 54.440 -1.465 19229 980 1 3 . 1 1 695 695 ASN CB C 695 38.673 38.673 38.410 0.263 19229 981 1 3 . 1 1 695 695 ASN H H 695 7.809 7.809 8.095 -0.286 19229 982 1 3 . 1 1 696 696 LEU N N 696 122.015 122.015 121.881 0.134 19229 983 1 3 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.450 -0.242 19229 984 1 3 . 1 1 696 696 LEU C C 696 177.823 177.823 177.428 0.395 19229 985 1 3 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.468 -0.266 19229 986 1 3 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.091 0.034 19229 987 1 3 . 1 1 696 696 LEU H H 696 7.764 7.764 7.302 0.462 19229 988 1 3 . 1 1 697 697 LYS N N 697 116.437 116.437 117.531 -1.094 19229 989 1 3 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.116 0.021 19229 990 1 3 . 1 1 697 697 LYS C C 697 176.536 176.536 177.231 -0.695 19229 991 1 3 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.702 -1.745 19229 992 1 3 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.210 -0.159 19229 993 1 3 . 1 1 697 697 LYS H H 697 8.277 8.277 7.622 0.655 19229 994 1 3 . 1 1 698 698 ILE N N 698 117.807 117.807 117.268 0.539 19229 995 1 3 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.113 -0.046 19229 996 1 3 . 1 1 698 698 ILE C C 698 175.700 175.700 176.701 -1.001 19229 997 1 3 . 1 1 698 698 ILE CA C 698 61.827 61.827 62.135 -0.308 19229 998 1 3 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.014 0.152 19229 999 1 3 . 1 1 698 698 ILE H H 698 7.650 7.650 7.119 0.531 19229 1000 1 3 . 1 1 699 699 LYS N N 699 123.286 123.286 120.084 3.202 19229 1001 1 3 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.783 -0.028 19229 1002 1 3 . 1 1 699 699 LYS CA C 699 53.397 53.397 53.868 -0.471 19229 1003 1 3 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.294 1.307 19229 1004 1 3 . 1 1 699 699 LYS H H 699 8.121 8.121 8.061 0.060 19229 1005 1 3 . 1 1 700 700 PRO HA H 700 4.250 4.250 4.048 0.202 19229 1006 1 3 . 1 1 700 700 PRO C C 700 175.213 175.213 175.355 -0.142 19229 1007 1 3 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.081 -0.281 19229 1008 1 3 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.875 0.847 19229 1009 1 3 . 1 1 701 701 PHE N N 701 122.959 122.959 116.279 6.680 19229 1010 1 3 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.417 -0.170 19229 1011 1 3 . 1 1 701 701 PHE C C 701 171.657 171.657 173.126 -1.469 19229 1012 1 3 . 1 1 701 701 PHE CA C 701 58.140 58.140 56.118 2.022 19229 1013 1 3 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.335 -1.887 19229 1014 1 3 . 1 1 701 701 PHE H H 701 8.042 8.042 7.124 0.918 19229 1015 1 3 . 1 1 702 702 TYR N N 702 123.854 123.854 121.422 2.432 19229 1016 1 3 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.810 0.220 19229 1017 1 3 . 1 1 702 702 TYR C C 702 173.915 173.915 175.461 -1.546 19229 1018 1 3 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.714 -1.908 19229 1019 1 3 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.056 -0.987 19229 1020 1 3 . 1 1 702 702 TYR H H 702 6.754 6.754 7.754 -1.000 19229 1021 1 3 . 1 1 703 703 CYS N N 703 124.963 124.963 119.407 5.556 19229 1022 1 3 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.845 -0.592 19229 1023 1 3 . 1 1 703 703 CYS CA C 703 57.300 57.300 56.316 0.984 19229 1024 1 3 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.386 1.565 19229 1025 1 3 . 1 1 703 703 CYS H H 703 9.298 9.298 8.493 0.805 19229 1026 1 3 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.220 -0.173 19229 1027 1 3 . 1 1 704 704 PRO C C 704 178.818 178.818 177.868 0.950 19229 1028 1 3 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.480 0.171 19229 1029 1 3 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.733 0.258 19229 1030 1 3 . 1 1 705 705 HIS N N 705 115.532 115.532 116.241 -0.709 19229 1031 1 3 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.350 -0.068 19229 1032 1 3 . 1 1 705 705 HIS C C 705 177.689 177.689 177.091 0.598 19229 1033 1 3 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.644 -0.998 19229 1034 1 3 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.757 -0.031 19229 1035 1 3 . 1 1 705 705 HIS H H 705 7.843 7.843 8.441 -0.598 19229 1036 1 3 . 1 1 706 706 CYS N N 706 124.314 124.314 118.106 6.208 19229 1037 1 3 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.257 -0.486 19229 1038 1 3 . 1 1 706 706 CYS C C 706 177.204 177.204 176.803 0.401 19229 1039 1 3 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.338 0.909 19229 1040 1 3 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.088 3.355 19229 1041 1 3 . 1 1 706 706 CYS H H 706 8.442 8.442 8.007 0.435 19229 1042 1 3 . 1 1 707 707 LEU N N 707 119.208 119.208 120.380 -1.172 19229 1043 1 3 . 1 1 707 707 LEU HA H 707 3.750 3.750 4.158 -0.408 19229 1044 1 3 . 1 1 707 707 LEU C C 707 178.903 178.903 178.645 0.258 19229 1045 1 3 . 1 1 707 707 LEU CA C 707 57.202 57.202 57.788 -0.586 19229 1046 1 3 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.699 0.284 19229 1047 1 3 . 1 1 707 707 LEU H H 707 8.162 8.162 7.579 0.583 19229 1048 1 3 . 1 1 708 708 VAL N N 708 116.959 116.959 119.220 -2.261 19229 1049 1 3 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.791 -0.042 19229 1050 1 3 . 1 1 708 708 VAL C C 708 176.876 176.876 176.947 -0.071 19229 1051 1 3 . 1 1 708 708 VAL CA C 708 64.077 64.077 65.042 -0.965 19229 1052 1 3 . 1 1 708 708 VAL CB C 708 31.984 31.984 30.755 1.229 19229 1053 1 3 . 1 1 708 708 VAL H H 708 7.161 7.161 7.640 -0.479 19229 1054 1 3 . 1 1 709 709 ALA N N 709 122.758 122.758 123.049 -0.291 19229 1055 1 3 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.035 0.078 19229 1056 1 3 . 1 1 709 709 ALA C C 709 177.859 177.859 178.868 -1.009 19229 1057 1 3 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.562 -1.869 19229 1058 1 3 . 1 1 709 709 ALA CB C 709 18.736 18.736 19.026 -0.291 19229 1059 1 3 . 1 1 709 709 ALA H H 709 7.408 7.408 7.834 -0.426 19229 1060 1 3 . 1 1 710 710 MET N N 710 117.242 117.242 115.443 1.799 19229 1061 1 3 . 1 1 710 710 MET HA H 710 4.197 4.197 4.379 -0.182 19229 1062 1 3 . 1 1 710 710 MET C C 710 175.832 175.832 176.383 -0.551 19229 1063 1 3 . 1 1 710 710 MET CA C 710 55.557 55.557 56.784 -1.227 19229 1064 1 3 . 1 1 710 710 MET CB C 710 33.440 33.440 33.577 -0.137 19229 1065 1 3 . 1 1 710 710 MET H H 710 7.586 7.586 7.664 -0.078 19229 1066 1 3 . 1 1 711 711 GLU N N 711 122.546 122.546 115.798 6.748 19229 1067 1 3 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.153 0.234 19229 1068 1 3 . 1 1 711 711 GLU CA C 711 54.384 54.384 55.946 -1.562 19229 1069 1 3 . 1 1 711 711 GLU CB C 711 29.444 29.444 28.482 0.962 19229 1070 1 3 . 1 1 711 711 GLU H H 711 7.828 7.828 7.770 0.058 19229 1071 1 3 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.331 0.001 19229 1072 1 3 . 1 1 712 712 PRO C C 712 176.876 176.876 176.465 0.411 19229 1073 1 3 . 1 1 712 712 PRO CA C 712 62.994 62.994 63.042 -0.048 19229 1074 1 3 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.002 -0.080 19229 1075 1 3 . 1 1 713 713 VAL N N 713 120.328 120.328 121.251 -0.923 19229 1076 1 3 . 1 1 713 713 VAL HA H 713 3.993 3.993 3.975 0.018 19229 1077 1 3 . 1 1 713 713 VAL C C 713 176.257 176.257 176.393 -0.136 19229 1078 1 3 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.825 -0.692 19229 1079 1 3 . 1 1 713 713 VAL CB C 713 32.615 32.615 31.669 0.946 19229 1080 1 3 . 1 1 713 713 VAL H H 713 8.157 8.157 8.095 0.062 19229 1081 1 3 . 1 1 714 714 SER N N 714 119.503 119.503 124.544 -5.041 19229 1082 1 3 . 1 1 714 714 SER HA H 714 4.440 4.440 4.512 -0.072 19229 1083 1 3 . 1 1 714 714 SER C C 714 174.619 174.619 174.296 0.323 19229 1084 1 3 . 1 1 714 714 SER CA C 714 57.976 57.976 58.311 -0.335 19229 1085 1 3 . 1 1 714 714 SER CB C 714 63.816 63.816 62.474 1.342 19229 1086 1 3 . 1 1 714 714 SER H H 714 8.368 8.368 8.566 -0.198 19229 1087 1 3 . 1 1 715 715 THR N N 715 116.281 116.281 122.441 -6.160 19229 1088 1 3 . 1 1 715 715 THR HA H 715 4.261 4.261 4.520 -0.259 19229 1089 1 3 . 1 1 715 715 THR C C 715 173.559 173.559 174.407 -0.848 19229 1090 1 3 . 1 1 715 715 THR CA C 715 61.499 61.499 61.599 -0.100 19229 1091 1 3 . 1 1 715 715 THR CB C 715 69.476 69.476 70.016 -0.540 19229 1092 1 3 . 1 1 715 715 THR H H 715 8.141 8.141 7.983 0.158 19229 1093 1 4 . 1 1 653 653 ASN N N 653 120.067 120.067 122.326 -2.259 19229 1094 1 4 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.961 -0.373 19229 1095 1 4 . 1 1 653 653 ASN C C 653 175.383 175.383 175.585 -0.202 19229 1096 1 4 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.227 -0.034 19229 1097 1 4 . 1 1 653 653 ASN CB C 653 38.813 38.813 39.022 -0.209 19229 1098 1 4 . 1 1 653 653 ASN H H 653 8.357 8.357 8.746 -0.389 19229 1099 1 4 . 1 1 654 654 THR N N 654 113.812 113.812 113.421 0.391 19229 1100 1 4 . 1 1 654 654 THR HA H 654 4.260 4.260 4.187 0.073 19229 1101 1 4 . 1 1 654 654 THR C C 654 174.825 174.825 174.829 -0.004 19229 1102 1 4 . 1 1 654 654 THR CA C 654 61.806 61.806 63.590 -1.784 19229 1103 1 4 . 1 1 654 654 THR CB C 654 69.645 69.645 69.140 0.505 19229 1104 1 4 . 1 1 654 654 THR H H 654 8.040 8.040 8.238 -0.198 19229 1105 1 4 . 1 1 655 655 SER N N 655 117.231 117.231 116.899 0.332 19229 1106 1 4 . 1 1 655 655 SER HA H 655 4.367 4.367 4.446 -0.079 19229 1107 1 4 . 1 1 655 655 SER C C 655 174.218 174.218 172.651 1.567 19229 1108 1 4 . 1 1 655 655 SER CA C 655 58.681 58.681 57.135 1.546 19229 1109 1 4 . 1 1 655 655 SER CB C 655 63.586 63.586 65.749 -2.163 19229 1110 1 4 . 1 1 655 655 SER H H 655 8.277 8.277 7.858 0.419 19229 1111 1 4 . 1 1 656 656 ASP N N 656 121.799 121.799 125.368 -3.569 19229 1112 1 4 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.423 0.107 19229 1113 1 4 . 1 1 656 656 ASP C C 656 175.250 175.250 175.581 -0.331 19229 1114 1 4 . 1 1 656 656 ASP CA C 656 54.385 54.385 54.459 -0.074 19229 1115 1 4 . 1 1 656 656 ASP CB C 656 41.069 41.069 40.642 0.427 19229 1116 1 4 . 1 1 656 656 ASP H H 656 8.197 8.197 8.469 -0.272 19229 1117 1 4 . 1 1 657 657 TYR N N 657 122.165 122.165 123.720 -1.555 19229 1118 1 4 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.378 0.068 19229 1119 1 4 . 1 1 657 657 TYR C C 657 174.607 174.607 175.247 -0.640 19229 1120 1 4 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.632 1.056 19229 1121 1 4 . 1 1 657 657 TYR CB C 657 39.025 39.025 37.450 1.575 19229 1122 1 4 . 1 1 657 657 TYR H H 657 8.023 8.023 8.312 -0.289 19229 1123 1 4 . 1 1 658 658 ARG N N 658 128.309 128.309 124.970 3.339 19229 1124 1 4 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.239 0.138 19229 1125 1 4 . 1 1 658 658 ARG C C 658 172.871 172.871 175.394 -2.523 19229 1126 1 4 . 1 1 658 658 ARG CA C 658 55.440 55.440 54.893 0.547 19229 1127 1 4 . 1 1 658 658 ARG CB C 658 32.262 32.262 29.418 2.844 19229 1128 1 4 . 1 1 658 658 ARG H H 658 8.637 8.637 7.951 0.686 19229 1129 1 4 . 1 1 659 659 PHE N N 659 125.304 125.304 121.932 3.372 19229 1130 1 4 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.653 0.272 19229 1131 1 4 . 1 1 659 659 PHE C C 659 174.558 174.558 173.789 0.769 19229 1132 1 4 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.595 -0.124 19229 1133 1 4 . 1 1 659 659 PHE CB C 659 41.719 41.719 39.249 2.470 19229 1134 1 4 . 1 1 659 659 PHE H H 659 8.551 8.551 7.685 0.866 19229 1135 1 4 . 1 1 660 660 GLU N N 660 128.804 128.804 123.143 5.661 19229 1136 1 4 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.509 -0.555 19229 1137 1 4 . 1 1 660 660 GLU C C 660 172.361 172.361 174.826 -2.465 19229 1138 1 4 . 1 1 660 660 GLU CA C 660 56.471 56.471 55.274 1.197 19229 1139 1 4 . 1 1 660 660 GLU CB C 660 31.644 31.644 32.810 -1.166 19229 1140 1 4 . 1 1 660 660 GLU H H 660 7.833 7.833 7.973 -0.140 19229 1141 1 4 . 1 1 661 661 CYS N N 661 127.001 127.001 122.585 4.416 19229 1142 1 4 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.662 -0.304 19229 1143 1 4 . 1 1 661 661 CYS C C 661 176.221 176.221 177.038 -0.817 19229 1144 1 4 . 1 1 661 661 CYS CA C 661 59.045 59.045 59.017 0.028 19229 1145 1 4 . 1 1 661 661 CYS CB C 661 30.839 30.839 28.369 2.470 19229 1146 1 4 . 1 1 661 661 CYS H H 661 8.356 8.356 8.786 -0.430 19229 1147 1 4 . 1 1 662 662 ILE N N 662 127.765 127.765 122.640 5.125 19229 1148 1 4 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.981 0.147 19229 1149 1 4 . 1 1 662 662 ILE C C 662 176.439 176.439 175.948 0.491 19229 1150 1 4 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.342 -0.036 19229 1151 1 4 . 1 1 662 662 ILE CB C 662 38.462 38.462 36.736 1.726 19229 1152 1 4 . 1 1 662 662 ILE H H 662 8.075 8.075 8.588 -0.513 19229 1153 1 4 . 1 1 663 663 CYS N N 663 120.000 120.000 116.066 3.934 19229 1154 1 4 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.651 -0.113 19229 1155 1 4 . 1 1 663 663 CYS C C 663 177.046 177.046 176.399 0.647 19229 1156 1 4 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.274 0.618 19229 1157 1 4 . 1 1 663 663 CYS CB C 663 30.994 30.994 29.254 1.740 19229 1158 1 4 . 1 1 663 663 CYS H H 663 7.661 7.661 7.822 -0.161 19229 1159 1 4 . 1 1 664 664 GLY N N 664 110.372 110.372 111.566 -1.194 19229 1160 1 4 . 1 1 664 664 GLY C C 664 173.818 173.818 175.348 -1.530 19229 1161 1 4 . 1 1 664 664 GLY CA C 664 45.859 45.859 46.492 -0.633 19229 1162 1 4 . 1 1 664 664 GLY H H 664 7.855 7.855 8.163 -0.308 19229 1163 1 4 . 1 1 665 665 GLU N N 665 122.002 122.002 119.462 2.540 19229 1164 1 4 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.293 0.060 19229 1165 1 4 . 1 1 665 665 GLU C C 665 175.990 175.990 176.731 -0.741 19229 1166 1 4 . 1 1 665 665 GLU CA C 665 56.286 56.286 57.851 -1.565 19229 1167 1 4 . 1 1 665 665 GLU CB C 665 31.276 31.276 30.412 0.864 19229 1168 1 4 . 1 1 665 665 GLU H H 665 8.276 8.276 8.036 0.240 19229 1169 1 4 . 1 1 666 666 LEU N N 666 122.355 122.355 118.205 4.150 19229 1170 1 4 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.693 -0.344 19229 1171 1 4 . 1 1 666 666 LEU C C 666 176.816 176.816 175.083 1.733 19229 1172 1 4 . 1 1 666 666 LEU CA C 666 54.595 54.595 53.933 0.662 19229 1173 1 4 . 1 1 666 666 LEU CB C 666 42.549 42.549 44.663 -2.114 19229 1174 1 4 . 1 1 666 666 LEU H H 666 8.341 8.341 7.914 0.427 19229 1175 1 4 . 1 1 667 667 ASP N N 667 121.075 121.075 118.507 2.568 19229 1176 1 4 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.647 -0.601 19229 1177 1 4 . 1 1 667 667 ASP C C 667 175.432 175.432 174.469 0.963 19229 1178 1 4 . 1 1 667 667 ASP CA C 667 54.172 54.172 54.096 0.076 19229 1179 1 4 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.319 -0.250 19229 1180 1 4 . 1 1 667 667 ASP H H 667 8.325 8.325 8.451 -0.126 19229 1181 1 4 . 1 1 668 668 GLN N N 668 121.978 121.978 118.996 2.982 19229 1182 1 4 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.723 -0.526 19229 1183 1 4 . 1 1 668 668 GLN C C 668 175.420 175.420 176.259 -0.839 19229 1184 1 4 . 1 1 668 668 GLN CA C 668 55.225 55.225 53.976 1.249 19229 1185 1 4 . 1 1 668 668 GLN CB C 668 30.149 30.149 31.497 -1.347 19229 1186 1 4 . 1 1 668 668 GLN H H 668 8.083 8.083 8.211 -0.128 19229 1187 1 4 . 1 1 669 669 ILE N N 669 120.079 120.079 122.336 -2.257 19229 1188 1 4 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.017 -0.139 19229 1189 1 4 . 1 1 669 669 ILE C C 669 175.347 175.347 175.914 -0.567 19229 1190 1 4 . 1 1 669 669 ILE CA C 669 61.499 61.499 63.536 -2.037 19229 1191 1 4 . 1 1 669 669 ILE CB C 669 37.123 37.123 38.002 -0.879 19229 1192 1 4 . 1 1 669 669 ILE H H 669 8.155 8.155 8.749 -0.594 19229 1193 1 4 . 1 1 670 670 ASP N N 670 123.410 123.410 118.530 4.880 19229 1194 1 4 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.360 0.066 19229 1195 1 4 . 1 1 670 670 ASP C C 670 176.124 176.124 177.413 -1.289 19229 1196 1 4 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.280 -2.671 19229 1197 1 4 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.729 0.410 19229 1198 1 4 . 1 1 670 670 ASP H H 670 7.992 7.992 8.284 -0.292 19229 1199 1 4 . 1 1 671 671 ARG N N 671 118.285 118.285 118.394 -0.109 19229 1200 1 4 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.432 -0.263 19229 1201 1 4 . 1 1 671 671 ARG C C 671 176.476 176.476 176.647 -0.171 19229 1202 1 4 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.773 -0.736 19229 1203 1 4 . 1 1 671 671 ARG CB C 671 29.552 29.552 31.858 -2.305 19229 1204 1 4 . 1 1 671 671 ARG H H 671 8.274 8.274 7.771 0.503 19229 1205 1 4 . 1 1 672 672 LYS N N 672 122.196 122.196 118.692 3.504 19229 1206 1 4 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.753 -0.267 19229 1207 1 4 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.380 2.567 19229 1208 1 4 . 1 1 672 672 LYS CB C 672 32.262 32.262 33.281 -1.019 19229 1209 1 4 . 1 1 672 672 LYS H H 672 8.060 8.060 7.794 0.266 19229 1210 1 4 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.265 0.133 19229 1211 1 4 . 1 1 673 673 PRO C C 673 177.204 177.204 175.659 1.545 19229 1212 1 4 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.570 0.394 19229 1213 1 4 . 1 1 673 673 PRO CB C 673 32.538 32.538 31.996 0.542 19229 1214 1 4 . 1 1 674 674 ARG N N 674 123.076 123.076 120.396 2.680 19229 1215 1 4 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.889 0.599 19229 1216 1 4 . 1 1 674 674 ARG C C 674 174.473 174.473 174.740 -0.267 19229 1217 1 4 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.404 0.580 19229 1218 1 4 . 1 1 674 674 ARG CB C 674 35.552 35.552 32.682 2.870 19229 1219 1 4 . 1 1 674 674 ARG H H 674 8.982 8.982 8.075 0.907 19229 1220 1 4 . 1 1 675 675 VAL N N 675 116.941 116.941 119.553 -2.612 19229 1221 1 4 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.150 0.300 19229 1222 1 4 . 1 1 675 675 VAL C C 675 171.342 171.342 175.244 -3.902 19229 1223 1 4 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.711 -1.185 19229 1224 1 4 . 1 1 675 675 VAL CB C 675 35.310 35.310 33.061 2.249 19229 1225 1 4 . 1 1 675 675 VAL H H 675 9.109 9.109 8.635 0.474 19229 1226 1 4 . 1 1 676 676 GLN N N 676 126.293 126.293 126.388 -0.095 19229 1227 1 4 . 1 1 676 676 GLN HA H 676 4.053 4.053 5.035 -0.982 19229 1228 1 4 . 1 1 676 676 GLN C C 676 174.910 174.910 175.855 -0.945 19229 1229 1 4 . 1 1 676 676 GLN CA C 676 53.209 53.209 54.837 -1.628 19229 1230 1 4 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.853 1.247 19229 1231 1 4 . 1 1 676 676 GLN H H 676 7.755 7.755 8.700 -0.945 19229 1232 1 4 . 1 1 677 677 CYS N N 677 128.217 128.217 126.112 2.105 19229 1233 1 4 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.634 -0.561 19229 1234 1 4 . 1 1 677 677 CYS C C 677 177.471 177.471 176.800 0.671 19229 1235 1 4 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.862 0.587 19229 1236 1 4 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.566 5.161 19229 1237 1 4 . 1 1 677 677 CYS H H 677 8.366 8.366 8.687 -0.321 19229 1238 1 4 . 1 1 678 678 LEU N N 678 131.279 131.279 126.676 4.603 19229 1239 1 4 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.043 -0.205 19229 1240 1 4 . 1 1 678 678 LEU C C 678 176.718 176.718 177.610 -0.892 19229 1241 1 4 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.474 -0.625 19229 1242 1 4 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.212 0.841 19229 1243 1 4 . 1 1 678 678 LEU H H 678 8.304 8.304 8.239 0.065 19229 1244 1 4 . 1 1 679 679 LYS N N 679 120.707 120.707 118.378 2.329 19229 1245 1 4 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.101 0.234 19229 1246 1 4 . 1 1 679 679 LYS C C 679 176.160 176.160 177.013 -0.853 19229 1247 1 4 . 1 1 679 679 LYS CA C 679 57.986 57.986 57.768 0.218 19229 1248 1 4 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.896 0.141 19229 1249 1 4 . 1 1 679 679 LYS H H 679 8.752 8.752 8.371 0.381 19229 1250 1 4 . 1 1 680 680 CYS N N 680 118.211 118.211 114.927 3.284 19229 1251 1 4 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.714 -0.248 19229 1252 1 4 . 1 1 680 680 CYS C C 680 176.306 176.306 174.484 1.822 19229 1253 1 4 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.675 1.499 19229 1254 1 4 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.700 3.646 19229 1255 1 4 . 1 1 680 680 CYS H H 680 8.230 8.230 7.600 0.630 19229 1256 1 4 . 1 1 681 681 HIS N N 681 113.392 113.392 117.998 -4.606 19229 1257 1 4 . 1 1 681 681 HIS HA H 681 4.204 4.204 4.054 0.150 19229 1258 1 4 . 1 1 681 681 HIS C C 681 173.478 173.478 172.963 0.515 19229 1259 1 4 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.485 0.505 19229 1260 1 4 . 1 1 681 681 HIS CB C 681 26.556 26.556 26.912 -0.356 19229 1261 1 4 . 1 1 681 681 HIS H H 681 7.149 7.149 7.868 -0.719 19229 1262 1 4 . 1 1 682 682 LEU N N 682 124.066 124.066 121.370 2.696 19229 1263 1 4 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.345 -0.050 19229 1264 1 4 . 1 1 682 682 LEU C C 682 176.670 176.670 175.067 1.603 19229 1265 1 4 . 1 1 682 682 LEU CA C 682 56.227 56.227 52.859 3.368 19229 1266 1 4 . 1 1 682 682 LEU CB C 682 44.035 44.035 43.084 0.951 19229 1267 1 4 . 1 1 682 682 LEU H H 682 8.172 8.172 7.341 0.831 19229 1268 1 4 . 1 1 683 683 TRP N N 683 124.208 124.208 126.251 -2.043 19229 1269 1 4 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.735 0.356 19229 1270 1 4 . 1 1 683 683 TRP C C 683 174.133 174.133 175.336 -1.203 19229 1271 1 4 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.930 0.793 19229 1272 1 4 . 1 1 683 683 TRP CB C 683 31.814 31.814 29.943 1.871 19229 1273 1 4 . 1 1 683 683 TRP H H 683 8.666 8.666 8.354 0.312 19229 1274 1 4 . 1 1 684 684 GLN N N 684 114.943 114.943 120.611 -5.668 19229 1275 1 4 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.692 -0.727 19229 1276 1 4 . 1 1 684 684 GLN C C 684 176.002 176.002 174.422 1.580 19229 1277 1 4 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.381 0.214 19229 1278 1 4 . 1 1 684 684 GLN CB C 684 32.755 32.755 34.038 -1.282 19229 1279 1 4 . 1 1 684 684 GLN H H 684 8.655 8.655 8.737 -0.082 19229 1280 1 4 . 1 1 685 685 HIS N N 685 121.485 121.485 119.200 2.285 19229 1281 1 4 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.711 0.300 19229 1282 1 4 . 1 1 685 685 HIS C C 685 175.990 175.990 176.208 -0.218 19229 1283 1 4 . 1 1 685 685 HIS CA C 685 58.024 58.024 56.310 1.714 19229 1284 1 4 . 1 1 685 685 HIS CB C 685 31.454 31.454 30.799 0.655 19229 1285 1 4 . 1 1 685 685 HIS H H 685 9.487 9.487 8.275 1.212 19229 1286 1 4 . 1 1 686 686 ALA N N 686 125.728 125.728 129.803 -4.075 19229 1287 1 4 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.191 -0.489 19229 1288 1 4 . 1 1 686 686 ALA C C 686 179.000 179.000 179.046 -0.046 19229 1289 1 4 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.471 -0.313 19229 1290 1 4 . 1 1 686 686 ALA CB C 686 17.858 17.858 18.854 -0.996 19229 1291 1 4 . 1 1 686 686 ALA H H 686 8.436 8.436 8.856 -0.420 19229 1292 1 4 . 1 1 687 687 LYS N N 687 116.216 116.216 114.446 1.770 19229 1293 1 4 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.419 -0.295 19229 1294 1 4 . 1 1 687 687 LYS C C 687 180.129 180.129 176.076 4.053 19229 1295 1 4 . 1 1 687 687 LYS CA C 687 58.681 58.681 56.358 2.323 19229 1296 1 4 . 1 1 687 687 LYS CB C 687 32.262 32.262 30.835 1.427 19229 1297 1 4 . 1 1 687 687 LYS H H 687 9.407 9.407 7.928 1.479 19229 1298 1 4 . 1 1 688 688 CYS N N 688 117.136 117.136 117.219 -0.083 19229 1299 1 4 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.700 -0.771 19229 1300 1 4 . 1 1 688 688 CYS C C 688 176.439 176.439 175.529 0.910 19229 1301 1 4 . 1 1 688 688 CYS CA C 688 62.584 62.584 59.209 3.375 19229 1302 1 4 . 1 1 688 688 CYS CB C 688 30.149 30.149 28.610 1.539 19229 1303 1 4 . 1 1 688 688 CYS H H 688 6.702 6.702 7.651 -0.949 19229 1304 1 4 . 1 1 689 689 VAL N N 689 106.705 106.705 118.086 -11.381 19229 1305 1 4 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.378 0.036 19229 1306 1 4 . 1 1 689 689 VAL C C 689 175.007 175.007 175.105 -0.098 19229 1307 1 4 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.739 -1.579 19229 1308 1 4 . 1 1 689 689 VAL CB C 689 30.924 30.924 32.985 -2.061 19229 1309 1 4 . 1 1 689 689 VAL H H 689 6.932 6.932 7.443 -0.511 19229 1310 1 4 . 1 1 690 690 ASN N N 690 117.807 117.807 116.808 0.999 19229 1311 1 4 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.437 -0.171 19229 1312 1 4 . 1 1 690 690 ASN C C 690 173.405 173.405 173.599 -0.194 19229 1313 1 4 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.760 -0.612 19229 1314 1 4 . 1 1 690 690 ASN CB C 690 37.094 37.094 37.090 0.004 19229 1315 1 4 . 1 1 690 690 ASN H H 690 7.770 7.770 8.039 -0.269 19229 1316 1 4 . 1 1 691 691 TYR N N 691 120.010 120.010 119.093 0.917 19229 1317 1 4 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.610 -0.170 19229 1318 1 4 . 1 1 691 691 TYR C C 691 174.073 174.073 173.000 1.073 19229 1319 1 4 . 1 1 691 691 TYR CA C 691 57.695 57.695 57.926 -0.231 19229 1320 1 4 . 1 1 691 691 TYR CB C 691 40.575 40.575 42.027 -1.452 19229 1321 1 4 . 1 1 691 691 TYR H H 691 8.271 8.271 7.862 0.409 19229 1322 1 4 . 1 1 692 692 ASP N N 692 126.612 126.612 119.283 7.329 19229 1323 1 4 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.882 -0.517 19229 1324 1 4 . 1 1 692 692 ASP C C 692 175.663 175.663 174.993 0.670 19229 1325 1 4 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.520 0.314 19229 1326 1 4 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.781 -2.407 19229 1327 1 4 . 1 1 692 692 ASP H H 692 7.799 7.799 7.699 0.100 19229 1328 1 4 . 1 1 693 693 GLU N N 693 125.198 125.198 116.101 9.097 19229 1329 1 4 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.105 -0.181 19229 1330 1 4 . 1 1 693 693 GLU C C 693 177.119 177.119 178.136 -1.017 19229 1331 1 4 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.473 -0.285 19229 1332 1 4 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.684 -0.587 19229 1333 1 4 . 1 1 693 693 GLU H H 693 8.792 8.792 8.636 0.156 19229 1334 1 4 . 1 1 694 694 LYS N N 694 120.048 120.048 119.862 0.186 19229 1335 1 4 . 1 1 694 694 LYS HA H 694 4.070 4.070 3.988 0.082 19229 1336 1 4 . 1 1 694 694 LYS C C 694 177.168 177.168 178.123 -0.955 19229 1337 1 4 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.810 -1.256 19229 1338 1 4 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.184 -0.697 19229 1339 1 4 . 1 1 694 694 LYS H H 694 8.294 8.294 7.992 0.302 19229 1340 1 4 . 1 1 695 695 ASN N N 695 117.271 117.271 115.247 2.024 19229 1341 1 4 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.577 0.033 19229 1342 1 4 . 1 1 695 695 ASN C C 695 175.517 175.517 176.782 -1.265 19229 1343 1 4 . 1 1 695 695 ASN CA C 695 52.975 52.975 54.215 -1.240 19229 1344 1 4 . 1 1 695 695 ASN CB C 695 38.673 38.673 38.661 0.012 19229 1345 1 4 . 1 1 695 695 ASN H H 695 7.809 7.809 8.154 -0.345 19229 1346 1 4 . 1 1 696 696 LEU N N 696 122.015 122.015 121.164 0.851 19229 1347 1 4 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.440 -0.232 19229 1348 1 4 . 1 1 696 696 LEU C C 696 177.823 177.823 177.501 0.322 19229 1349 1 4 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.279 -0.077 19229 1350 1 4 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.078 0.047 19229 1351 1 4 . 1 1 696 696 LEU H H 696 7.764 7.764 7.792 -0.028 19229 1352 1 4 . 1 1 697 697 LYS N N 697 116.437 116.437 117.623 -1.186 19229 1353 1 4 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.161 -0.024 19229 1354 1 4 . 1 1 697 697 LYS C C 697 176.536 176.536 177.413 -0.877 19229 1355 1 4 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.725 -1.768 19229 1356 1 4 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.305 -0.254 19229 1357 1 4 . 1 1 697 697 LYS H H 697 8.277 8.277 7.627 0.650 19229 1358 1 4 . 1 1 698 698 ILE N N 698 117.807 117.807 117.170 0.637 19229 1359 1 4 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.126 -0.059 19229 1360 1 4 . 1 1 698 698 ILE C C 698 175.700 175.700 176.648 -0.948 19229 1361 1 4 . 1 1 698 698 ILE CA C 698 61.827 61.827 62.150 -0.323 19229 1362 1 4 . 1 1 698 698 ILE CB C 698 39.166 39.166 38.910 0.256 19229 1363 1 4 . 1 1 698 698 ILE H H 698 7.650 7.650 7.129 0.521 19229 1364 1 4 . 1 1 699 699 LYS N N 699 123.286 123.286 120.348 2.938 19229 1365 1 4 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.732 0.023 19229 1366 1 4 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.016 -0.619 19229 1367 1 4 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.489 1.113 19229 1368 1 4 . 1 1 699 699 LYS H H 699 8.121 8.121 7.997 0.124 19229 1369 1 4 . 1 1 700 700 PRO HA H 700 4.250 4.250 4.103 0.147 19229 1370 1 4 . 1 1 700 700 PRO C C 700 175.213 175.213 175.668 -0.455 19229 1371 1 4 . 1 1 700 700 PRO CA C 700 62.800 62.800 62.954 -0.154 19229 1372 1 4 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.966 0.756 19229 1373 1 4 . 1 1 701 701 PHE N N 701 122.959 122.959 117.831 5.128 19229 1374 1 4 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.589 -0.342 19229 1375 1 4 . 1 1 701 701 PHE C C 701 171.657 171.657 173.266 -1.609 19229 1376 1 4 . 1 1 701 701 PHE CA C 701 58.140 58.140 56.063 2.077 19229 1377 1 4 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.380 -1.932 19229 1378 1 4 . 1 1 701 701 PHE H H 701 8.042 8.042 7.279 0.763 19229 1379 1 4 . 1 1 702 702 TYR N N 702 123.854 123.854 121.686 2.168 19229 1380 1 4 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.780 0.250 19229 1381 1 4 . 1 1 702 702 TYR C C 702 173.915 173.915 175.326 -1.411 19229 1382 1 4 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.777 -1.971 19229 1383 1 4 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.041 -0.972 19229 1384 1 4 . 1 1 702 702 TYR H H 702 6.754 6.754 7.874 -1.120 19229 1385 1 4 . 1 1 703 703 CYS N N 703 124.963 124.963 120.003 4.960 19229 1386 1 4 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.883 -0.630 19229 1387 1 4 . 1 1 703 703 CYS CA C 703 57.300 57.300 55.856 1.444 19229 1388 1 4 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.946 1.005 19229 1389 1 4 . 1 1 703 703 CYS H H 703 9.298 9.298 8.509 0.789 19229 1390 1 4 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.178 -0.131 19229 1391 1 4 . 1 1 704 704 PRO C C 704 178.818 178.818 178.229 0.589 19229 1392 1 4 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.266 0.385 19229 1393 1 4 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.719 0.272 19229 1394 1 4 . 1 1 705 705 HIS N N 705 115.532 115.532 116.495 -0.963 19229 1395 1 4 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.355 -0.073 19229 1396 1 4 . 1 1 705 705 HIS C C 705 177.689 177.689 177.637 0.052 19229 1397 1 4 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.718 -1.072 19229 1398 1 4 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.613 0.112 19229 1399 1 4 . 1 1 705 705 HIS H H 705 7.843 7.843 8.672 -0.829 19229 1400 1 4 . 1 1 706 706 CYS N N 706 124.314 124.314 118.431 5.883 19229 1401 1 4 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.248 -0.477 19229 1402 1 4 . 1 1 706 706 CYS C C 706 177.204 177.204 176.866 0.338 19229 1403 1 4 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.303 0.944 19229 1404 1 4 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.326 3.117 19229 1405 1 4 . 1 1 706 706 CYS H H 706 8.442 8.442 8.149 0.293 19229 1406 1 4 . 1 1 707 707 LEU N N 707 119.208 119.208 120.770 -1.562 19229 1407 1 4 . 1 1 707 707 LEU HA H 707 3.750 3.750 4.019 -0.269 19229 1408 1 4 . 1 1 707 707 LEU C C 707 178.903 178.903 178.571 0.332 19229 1409 1 4 . 1 1 707 707 LEU CA C 707 57.202 57.202 57.981 -0.779 19229 1410 1 4 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.568 0.415 19229 1411 1 4 . 1 1 707 707 LEU H H 707 8.162 8.162 7.502 0.660 19229 1412 1 4 . 1 1 708 708 VAL N N 708 116.959 116.959 117.704 -0.745 19229 1413 1 4 . 1 1 708 708 VAL HA H 708 3.749 3.749 4.040 -0.291 19229 1414 1 4 . 1 1 708 708 VAL C C 708 176.876 176.876 178.734 -1.858 19229 1415 1 4 . 1 1 708 708 VAL CA C 708 64.077 64.077 65.620 -1.543 19229 1416 1 4 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.574 0.410 19229 1417 1 4 . 1 1 708 708 VAL H H 708 7.161 7.161 7.881 -0.720 19229 1418 1 4 . 1 1 709 709 ALA N N 709 122.758 122.758 122.587 0.171 19229 1419 1 4 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.131 -0.018 19229 1420 1 4 . 1 1 709 709 ALA C C 709 177.859 177.859 178.405 -0.546 19229 1421 1 4 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.438 -1.745 19229 1422 1 4 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.672 0.064 19229 1423 1 4 . 1 1 709 709 ALA H H 709 7.408 7.408 7.526 -0.118 19229 1424 1 4 . 1 1 710 710 MET N N 710 117.242 117.242 115.961 1.281 19229 1425 1 4 . 1 1 710 710 MET HA H 710 4.197 4.197 4.401 -0.204 19229 1426 1 4 . 1 1 710 710 MET C C 710 175.832 175.832 176.313 -0.481 19229 1427 1 4 . 1 1 710 710 MET CA C 710 55.557 55.557 56.147 -0.590 19229 1428 1 4 . 1 1 710 710 MET CB C 710 33.440 33.440 32.773 0.667 19229 1429 1 4 . 1 1 710 710 MET H H 710 7.586 7.586 7.450 0.136 19229 1430 1 4 . 1 1 711 711 GLU N N 711 122.546 122.546 120.037 2.509 19229 1431 1 4 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.661 -0.274 19229 1432 1 4 . 1 1 711 711 GLU CA C 711 54.384 54.384 53.631 0.753 19229 1433 1 4 . 1 1 711 711 GLU CB C 711 29.444 29.444 29.958 -0.514 19229 1434 1 4 . 1 1 711 711 GLU H H 711 7.828 7.828 7.404 0.424 19229 1435 1 4 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.525 -0.193 19229 1436 1 4 . 1 1 712 712 PRO C C 712 176.876 176.876 176.405 0.471 19229 1437 1 4 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.375 0.619 19229 1438 1 4 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.408 -0.486 19229 1439 1 4 . 1 1 713 713 VAL N N 713 120.328 120.328 118.718 1.610 19229 1440 1 4 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.259 -0.266 19229 1441 1 4 . 1 1 713 713 VAL C C 713 176.257 176.257 176.318 -0.061 19229 1442 1 4 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.615 -0.482 19229 1443 1 4 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.145 0.470 19229 1444 1 4 . 1 1 713 713 VAL H H 713 8.157 8.157 8.022 0.135 19229 1445 1 4 . 1 1 714 714 SER N N 714 119.503 119.503 120.421 -0.918 19229 1446 1 4 . 1 1 714 714 SER HA H 714 4.440 4.440 4.554 -0.114 19229 1447 1 4 . 1 1 714 714 SER C C 714 174.619 174.619 174.808 -0.189 19229 1448 1 4 . 1 1 714 714 SER CA C 714 57.976 57.976 57.831 0.145 19229 1449 1 4 . 1 1 714 714 SER CB C 714 63.816 63.816 64.083 -0.267 19229 1450 1 4 . 1 1 714 714 SER H H 714 8.368 8.368 8.417 -0.049 19229 1451 1 4 . 1 1 715 715 THR N N 715 116.281 116.281 120.673 -4.392 19229 1452 1 4 . 1 1 715 715 THR HA H 715 4.261 4.261 4.353 -0.092 19229 1453 1 4 . 1 1 715 715 THR C C 715 173.559 173.559 174.624 -1.065 19229 1454 1 4 . 1 1 715 715 THR CA C 715 61.499 61.499 62.639 -1.140 19229 1455 1 4 . 1 1 715 715 THR CB C 715 69.476 69.476 69.463 0.013 19229 1456 1 4 . 1 1 715 715 THR H H 715 8.141 8.141 8.374 -0.233 19229 1457 1 5 . 1 1 653 653 ASN N N 653 120.067 120.067 120.165 -0.098 19229 1458 1 5 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.484 0.104 19229 1459 1 5 . 1 1 653 653 ASN C C 653 175.383 175.383 175.875 -0.492 19229 1460 1 5 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.386 -0.192 19229 1461 1 5 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.373 0.439 19229 1462 1 5 . 1 1 653 653 ASN H H 653 8.357 8.357 8.721 -0.364 19229 1463 1 5 . 1 1 654 654 THR N N 654 113.812 113.812 112.953 0.859 19229 1464 1 5 . 1 1 654 654 THR HA H 654 4.260 4.260 4.194 0.066 19229 1465 1 5 . 1 1 654 654 THR C C 654 174.825 174.825 174.457 0.368 19229 1466 1 5 . 1 1 654 654 THR CA C 654 61.806 61.806 63.433 -1.627 19229 1467 1 5 . 1 1 654 654 THR CB C 654 69.645 69.645 69.100 0.545 19229 1468 1 5 . 1 1 654 654 THR H H 654 8.040 8.040 8.139 -0.099 19229 1469 1 5 . 1 1 655 655 SER N N 655 117.231 117.231 114.940 2.291 19229 1470 1 5 . 1 1 655 655 SER HA H 655 4.367 4.367 4.493 -0.126 19229 1471 1 5 . 1 1 655 655 SER C C 655 174.218 174.218 172.269 1.949 19229 1472 1 5 . 1 1 655 655 SER CA C 655 58.681 58.681 57.270 1.411 19229 1473 1 5 . 1 1 655 655 SER CB C 655 63.586 63.586 63.935 -0.349 19229 1474 1 5 . 1 1 655 655 SER H H 655 8.277 8.277 7.705 0.572 19229 1475 1 5 . 1 1 656 656 ASP N N 656 121.799 121.799 123.372 -1.573 19229 1476 1 5 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.454 0.077 19229 1477 1 5 . 1 1 656 656 ASP C C 656 175.250 175.250 175.256 -0.006 19229 1478 1 5 . 1 1 656 656 ASP CA C 656 54.385 54.385 54.290 0.095 19229 1479 1 5 . 1 1 656 656 ASP CB C 656 41.069 41.069 41.414 -0.345 19229 1480 1 5 . 1 1 656 656 ASP H H 656 8.197 8.197 7.268 0.929 19229 1481 1 5 . 1 1 657 657 TYR N N 657 122.165 122.165 123.977 -1.812 19229 1482 1 5 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.489 -0.043 19229 1483 1 5 . 1 1 657 657 TYR C C 657 174.607 174.607 175.653 -1.046 19229 1484 1 5 . 1 1 657 657 TYR CA C 657 58.688 58.688 56.986 1.702 19229 1485 1 5 . 1 1 657 657 TYR CB C 657 39.025 39.025 37.642 1.383 19229 1486 1 5 . 1 1 657 657 TYR H H 657 8.023 8.023 8.495 -0.472 19229 1487 1 5 . 1 1 658 658 ARG N N 658 128.309 128.309 126.024 2.285 19229 1488 1 5 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.165 0.212 19229 1489 1 5 . 1 1 658 658 ARG C C 658 172.871 172.871 175.354 -2.483 19229 1490 1 5 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.441 -0.001 19229 1491 1 5 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.911 3.351 19229 1492 1 5 . 1 1 658 658 ARG H H 658 8.637 8.637 8.090 0.547 19229 1493 1 5 . 1 1 659 659 PHE N N 659 125.304 125.304 122.124 3.180 19229 1494 1 5 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.486 0.439 19229 1495 1 5 . 1 1 659 659 PHE C C 659 174.558 174.558 174.710 -0.152 19229 1496 1 5 . 1 1 659 659 PHE CA C 659 56.471 56.471 57.020 -0.549 19229 1497 1 5 . 1 1 659 659 PHE CB C 659 41.719 41.719 39.271 2.448 19229 1498 1 5 . 1 1 659 659 PHE H H 659 8.551 8.551 7.176 1.375 19229 1499 1 5 . 1 1 660 660 GLU N N 660 128.804 128.804 123.628 5.176 19229 1500 1 5 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.491 -0.537 19229 1501 1 5 . 1 1 660 660 GLU C C 660 172.361 172.361 174.391 -2.030 19229 1502 1 5 . 1 1 660 660 GLU CA C 660 56.471 56.471 55.673 0.798 19229 1503 1 5 . 1 1 660 660 GLU CB C 660 31.644 31.644 32.561 -0.917 19229 1504 1 5 . 1 1 660 660 GLU H H 660 7.833 7.833 8.477 -0.644 19229 1505 1 5 . 1 1 661 661 CYS N N 661 127.001 127.001 122.367 4.634 19229 1506 1 5 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.898 -0.540 19229 1507 1 5 . 1 1 661 661 CYS C C 661 176.221 176.221 177.309 -1.088 19229 1508 1 5 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.271 0.774 19229 1509 1 5 . 1 1 661 661 CYS CB C 661 30.839 30.839 27.955 2.884 19229 1510 1 5 . 1 1 661 661 CYS H H 661 8.356 8.356 8.615 -0.259 19229 1511 1 5 . 1 1 662 662 ILE N N 662 127.765 127.765 122.969 4.796 19229 1512 1 5 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.909 0.219 19229 1513 1 5 . 1 1 662 662 ILE C C 662 176.439 176.439 176.253 0.186 19229 1514 1 5 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.397 -0.091 19229 1515 1 5 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.372 1.090 19229 1516 1 5 . 1 1 662 662 ILE H H 662 8.075 8.075 8.418 -0.343 19229 1517 1 5 . 1 1 663 663 CYS N N 663 120.000 120.000 115.146 4.854 19229 1518 1 5 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.563 -0.025 19229 1519 1 5 . 1 1 663 663 CYS C C 663 177.046 177.046 176.363 0.683 19229 1520 1 5 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.283 0.609 19229 1521 1 5 . 1 1 663 663 CYS CB C 663 30.994 30.994 26.715 4.279 19229 1522 1 5 . 1 1 663 663 CYS H H 663 7.661 7.661 7.938 -0.277 19229 1523 1 5 . 1 1 664 664 GLY N N 664 110.372 110.372 111.788 -1.416 19229 1524 1 5 . 1 1 664 664 GLY C C 664 173.818 173.818 174.117 -0.299 19229 1525 1 5 . 1 1 664 664 GLY CA C 664 45.859 45.859 46.108 -0.249 19229 1526 1 5 . 1 1 664 664 GLY H H 664 7.855 7.855 8.311 -0.456 19229 1527 1 5 . 1 1 665 665 GLU N N 665 122.002 122.002 118.646 3.356 19229 1528 1 5 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.664 -0.311 19229 1529 1 5 . 1 1 665 665 GLU C C 665 175.990 175.990 176.585 -0.595 19229 1530 1 5 . 1 1 665 665 GLU CA C 665 56.286 56.286 56.902 -0.616 19229 1531 1 5 . 1 1 665 665 GLU CB C 665 31.276 31.276 31.519 -0.243 19229 1532 1 5 . 1 1 665 665 GLU H H 665 8.276 8.276 8.451 -0.175 19229 1533 1 5 . 1 1 666 666 LEU N N 666 122.355 122.355 119.987 2.368 19229 1534 1 5 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.720 -0.371 19229 1535 1 5 . 1 1 666 666 LEU C C 666 176.816 176.816 174.797 2.019 19229 1536 1 5 . 1 1 666 666 LEU CA C 666 54.595 54.595 54.269 0.326 19229 1537 1 5 . 1 1 666 666 LEU CB C 666 42.549 42.549 44.450 -1.901 19229 1538 1 5 . 1 1 666 666 LEU H H 666 8.341 8.341 7.968 0.373 19229 1539 1 5 . 1 1 667 667 ASP N N 667 121.075 121.075 119.236 1.839 19229 1540 1 5 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.250 -0.204 19229 1541 1 5 . 1 1 667 667 ASP C C 667 175.432 175.432 174.523 0.909 19229 1542 1 5 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.942 0.230 19229 1543 1 5 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.166 -0.097 19229 1544 1 5 . 1 1 667 667 ASP H H 667 8.325 8.325 8.442 -0.117 19229 1545 1 5 . 1 1 668 668 GLN N N 668 121.978 121.978 119.316 2.662 19229 1546 1 5 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.739 -0.542 19229 1547 1 5 . 1 1 668 668 GLN C C 668 175.420 175.420 176.068 -0.648 19229 1548 1 5 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.011 1.214 19229 1549 1 5 . 1 1 668 668 GLN CB C 668 30.149 30.149 32.665 -2.516 19229 1550 1 5 . 1 1 668 668 GLN H H 668 8.083 8.083 7.879 0.204 19229 1551 1 5 . 1 1 669 669 ILE N N 669 120.079 120.079 121.118 -1.039 19229 1552 1 5 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.016 -0.138 19229 1553 1 5 . 1 1 669 669 ILE C C 669 175.347 175.347 176.131 -0.784 19229 1554 1 5 . 1 1 669 669 ILE CA C 669 61.499 61.499 62.626 -1.127 19229 1555 1 5 . 1 1 669 669 ILE CB C 669 37.123 37.123 37.794 -0.670 19229 1556 1 5 . 1 1 669 669 ILE H H 669 8.155 8.155 8.852 -0.697 19229 1557 1 5 . 1 1 670 670 ASP N N 670 123.410 123.410 119.148 4.262 19229 1558 1 5 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.359 0.067 19229 1559 1 5 . 1 1 670 670 ASP C C 670 176.124 176.124 177.127 -1.003 19229 1560 1 5 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.400 -2.791 19229 1561 1 5 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.805 0.334 19229 1562 1 5 . 1 1 670 670 ASP H H 670 7.992 7.992 8.122 -0.130 19229 1563 1 5 . 1 1 671 671 ARG N N 671 118.285 118.285 119.164 -0.879 19229 1564 1 5 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.326 -0.157 19229 1565 1 5 . 1 1 671 671 ARG C C 671 176.476 176.476 176.187 0.289 19229 1566 1 5 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.715 -0.677 19229 1567 1 5 . 1 1 671 671 ARG CB C 671 29.552 29.552 32.318 -2.765 19229 1568 1 5 . 1 1 671 671 ARG H H 671 8.274 8.274 7.766 0.508 19229 1569 1 5 . 1 1 672 672 LYS N N 672 122.196 122.196 120.464 1.732 19229 1570 1 5 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.801 -0.315 19229 1571 1 5 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.511 2.436 19229 1572 1 5 . 1 1 672 672 LYS CB C 672 32.262 32.262 32.977 -0.715 19229 1573 1 5 . 1 1 672 672 LYS H H 672 8.060 8.060 7.751 0.309 19229 1574 1 5 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.411 -0.013 19229 1575 1 5 . 1 1 673 673 PRO C C 673 177.204 177.204 175.564 1.640 19229 1576 1 5 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.059 0.905 19229 1577 1 5 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.469 0.069 19229 1578 1 5 . 1 1 674 674 ARG N N 674 123.076 123.076 118.586 4.490 19229 1579 1 5 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.574 0.914 19229 1580 1 5 . 1 1 674 674 ARG C C 674 174.473 174.473 175.069 -0.596 19229 1581 1 5 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.673 0.311 19229 1582 1 5 . 1 1 674 674 ARG CB C 674 35.552 35.552 32.531 3.021 19229 1583 1 5 . 1 1 674 674 ARG H H 674 8.982 8.982 8.275 0.707 19229 1584 1 5 . 1 1 675 675 VAL N N 675 116.941 116.941 118.147 -1.206 19229 1585 1 5 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.045 0.405 19229 1586 1 5 . 1 1 675 675 VAL C C 675 171.342 171.342 174.982 -3.640 19229 1587 1 5 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.498 -0.972 19229 1588 1 5 . 1 1 675 675 VAL CB C 675 35.310 35.310 33.096 2.213 19229 1589 1 5 . 1 1 675 675 VAL H H 675 9.109 9.109 8.831 0.278 19229 1590 1 5 . 1 1 676 676 GLN N N 676 126.293 126.293 125.366 0.927 19229 1591 1 5 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.798 -0.745 19229 1592 1 5 . 1 1 676 676 GLN C C 676 174.910 174.910 175.283 -0.373 19229 1593 1 5 . 1 1 676 676 GLN CA C 676 53.209 53.209 54.291 -1.082 19229 1594 1 5 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.675 1.425 19229 1595 1 5 . 1 1 676 676 GLN H H 676 7.755 7.755 8.599 -0.844 19229 1596 1 5 . 1 1 677 677 CYS N N 677 128.217 128.217 126.838 1.379 19229 1597 1 5 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.775 -0.702 19229 1598 1 5 . 1 1 677 677 CYS C C 677 177.471 177.471 176.874 0.597 19229 1599 1 5 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.486 0.963 19229 1600 1 5 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.576 5.151 19229 1601 1 5 . 1 1 677 677 CYS H H 677 8.366 8.366 8.605 -0.239 19229 1602 1 5 . 1 1 678 678 LEU N N 678 131.279 131.279 125.513 5.766 19229 1603 1 5 . 1 1 678 678 LEU HA H 678 3.838 3.838 3.916 -0.078 19229 1604 1 5 . 1 1 678 678 LEU C C 678 176.718 176.718 177.643 -0.925 19229 1605 1 5 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.567 -0.718 19229 1606 1 5 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.535 0.519 19229 1607 1 5 . 1 1 678 678 LEU H H 678 8.304 8.304 8.344 -0.040 19229 1608 1 5 . 1 1 679 679 LYS N N 679 120.707 120.707 119.497 1.210 19229 1609 1 5 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.206 0.129 19229 1610 1 5 . 1 1 679 679 LYS C C 679 176.160 176.160 177.096 -0.936 19229 1611 1 5 . 1 1 679 679 LYS CA C 679 57.986 57.986 57.500 0.486 19229 1612 1 5 . 1 1 679 679 LYS CB C 679 33.037 33.037 33.039 -0.003 19229 1613 1 5 . 1 1 679 679 LYS H H 679 8.752 8.752 8.498 0.254 19229 1614 1 5 . 1 1 680 680 CYS N N 680 118.211 118.211 113.323 4.888 19229 1615 1 5 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.865 -0.399 19229 1616 1 5 . 1 1 680 680 CYS C C 680 176.306 176.306 174.740 1.566 19229 1617 1 5 . 1 1 680 680 CYS CA C 680 59.174 59.174 58.133 1.041 19229 1618 1 5 . 1 1 680 680 CYS CB C 680 31.346 31.346 28.581 2.765 19229 1619 1 5 . 1 1 680 680 CYS H H 680 8.230 8.230 7.743 0.487 19229 1620 1 5 . 1 1 681 681 HIS N N 681 113.392 113.392 118.098 -4.706 19229 1621 1 5 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.896 0.308 19229 1622 1 5 . 1 1 681 681 HIS C C 681 173.478 173.478 172.745 0.733 19229 1623 1 5 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.581 0.409 19229 1624 1 5 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.209 -0.653 19229 1625 1 5 . 1 1 681 681 HIS H H 681 7.149 7.149 8.352 -1.203 19229 1626 1 5 . 1 1 682 682 LEU N N 682 124.066 124.066 121.097 2.969 19229 1627 1 5 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.302 -0.007 19229 1628 1 5 . 1 1 682 682 LEU C C 682 176.670 176.670 175.021 1.649 19229 1629 1 5 . 1 1 682 682 LEU CA C 682 56.227 56.227 52.888 3.339 19229 1630 1 5 . 1 1 682 682 LEU CB C 682 44.035 44.035 42.663 1.372 19229 1631 1 5 . 1 1 682 682 LEU H H 682 8.172 8.172 7.242 0.930 19229 1632 1 5 . 1 1 683 683 TRP N N 683 124.208 124.208 126.856 -2.648 19229 1633 1 5 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.730 0.361 19229 1634 1 5 . 1 1 683 683 TRP C C 683 174.133 174.133 175.219 -1.086 19229 1635 1 5 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.754 0.969 19229 1636 1 5 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.325 1.489 19229 1637 1 5 . 1 1 683 683 TRP H H 683 8.666 8.666 8.470 0.196 19229 1638 1 5 . 1 1 684 684 GLN N N 684 114.943 114.943 120.744 -5.801 19229 1639 1 5 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.752 -0.787 19229 1640 1 5 . 1 1 684 684 GLN C C 684 176.002 176.002 174.412 1.590 19229 1641 1 5 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.872 -0.277 19229 1642 1 5 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.866 -1.111 19229 1643 1 5 . 1 1 684 684 GLN H H 684 8.655 8.655 8.811 -0.156 19229 1644 1 5 . 1 1 685 685 HIS N N 685 121.485 121.485 120.859 0.626 19229 1645 1 5 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.513 0.498 19229 1646 1 5 . 1 1 685 685 HIS C C 685 175.990 175.990 175.666 0.324 19229 1647 1 5 . 1 1 685 685 HIS CA C 685 58.024 58.024 57.752 0.272 19229 1648 1 5 . 1 1 685 685 HIS CB C 685 31.454 31.454 30.966 0.488 19229 1649 1 5 . 1 1 685 685 HIS H H 685 9.487 9.487 8.257 1.230 19229 1650 1 5 . 1 1 686 686 ALA N N 686 125.728 125.728 127.666 -1.938 19229 1651 1 5 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.044 -0.342 19229 1652 1 5 . 1 1 686 686 ALA C C 686 179.000 179.000 179.553 -0.553 19229 1653 1 5 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.791 -0.633 19229 1654 1 5 . 1 1 686 686 ALA CB C 686 17.858 17.858 18.946 -1.088 19229 1655 1 5 . 1 1 686 686 ALA H H 686 8.436 8.436 8.724 -0.288 19229 1656 1 5 . 1 1 687 687 LYS N N 687 116.216 116.216 117.639 -1.423 19229 1657 1 5 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.246 -0.122 19229 1658 1 5 . 1 1 687 687 LYS C C 687 180.129 180.129 177.557 2.572 19229 1659 1 5 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.127 0.554 19229 1660 1 5 . 1 1 687 687 LYS CB C 687 32.262 32.262 32.106 0.156 19229 1661 1 5 . 1 1 687 687 LYS H H 687 9.407 9.407 8.380 1.027 19229 1662 1 5 . 1 1 688 688 CYS N N 688 117.136 117.136 116.308 0.828 19229 1663 1 5 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.546 -0.617 19229 1664 1 5 . 1 1 688 688 CYS C C 688 176.439 176.439 175.972 0.467 19229 1665 1 5 . 1 1 688 688 CYS CA C 688 62.584 62.584 60.355 2.229 19229 1666 1 5 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.701 3.448 19229 1667 1 5 . 1 1 688 688 CYS H H 688 6.702 6.702 8.203 -1.501 19229 1668 1 5 . 1 1 689 689 VAL N N 689 106.705 106.705 113.775 -7.070 19229 1669 1 5 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.446 -0.032 19229 1670 1 5 . 1 1 689 689 VAL C C 689 175.007 175.007 174.596 0.411 19229 1671 1 5 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.408 -1.248 19229 1672 1 5 . 1 1 689 689 VAL CB C 689 30.924 30.924 32.272 -1.348 19229 1673 1 5 . 1 1 689 689 VAL H H 689 6.932 6.932 7.304 -0.372 19229 1674 1 5 . 1 1 690 690 ASN N N 690 117.807 117.807 117.563 0.244 19229 1675 1 5 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.416 -0.150 19229 1676 1 5 . 1 1 690 690 ASN C C 690 173.405 173.405 174.008 -0.603 19229 1677 1 5 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.642 -0.494 19229 1678 1 5 . 1 1 690 690 ASN CB C 690 37.094 37.094 37.053 0.041 19229 1679 1 5 . 1 1 690 690 ASN H H 690 7.770 7.770 8.239 -0.469 19229 1680 1 5 . 1 1 691 691 TYR N N 691 120.010 120.010 119.339 0.671 19229 1681 1 5 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.645 -0.205 19229 1682 1 5 . 1 1 691 691 TYR C C 691 174.073 174.073 172.863 1.210 19229 1683 1 5 . 1 1 691 691 TYR CA C 691 57.695 57.695 57.783 -0.088 19229 1684 1 5 . 1 1 691 691 TYR CB C 691 40.575 40.575 42.144 -1.569 19229 1685 1 5 . 1 1 691 691 TYR H H 691 8.271 8.271 7.797 0.474 19229 1686 1 5 . 1 1 692 692 ASP N N 692 126.612 126.612 119.984 6.628 19229 1687 1 5 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.889 -0.524 19229 1688 1 5 . 1 1 692 692 ASP C C 692 175.663 175.663 176.247 -0.584 19229 1689 1 5 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.092 0.742 19229 1690 1 5 . 1 1 692 692 ASP CB C 692 41.374 41.374 44.111 -2.736 19229 1691 1 5 . 1 1 692 692 ASP H H 692 7.799 7.799 7.934 -0.135 19229 1692 1 5 . 1 1 693 693 GLU N N 693 125.198 125.198 123.277 1.921 19229 1693 1 5 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.068 -0.144 19229 1694 1 5 . 1 1 693 693 GLU C C 693 177.119 177.119 177.976 -0.857 19229 1695 1 5 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.959 -0.771 19229 1696 1 5 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.081 0.016 19229 1697 1 5 . 1 1 693 693 GLU H H 693 8.792 8.792 8.938 -0.146 19229 1698 1 5 . 1 1 694 694 LYS N N 694 120.048 120.048 118.547 1.501 19229 1699 1 5 . 1 1 694 694 LYS HA H 694 4.070 4.070 3.974 0.096 19229 1700 1 5 . 1 1 694 694 LYS C C 694 177.168 177.168 177.943 -0.775 19229 1701 1 5 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.808 -1.254 19229 1702 1 5 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.241 -0.754 19229 1703 1 5 . 1 1 694 694 LYS H H 694 8.294 8.294 7.966 0.328 19229 1704 1 5 . 1 1 695 695 ASN N N 695 117.271 117.271 113.825 3.446 19229 1705 1 5 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.730 -0.120 19229 1706 1 5 . 1 1 695 695 ASN C C 695 175.517 175.517 175.687 -0.170 19229 1707 1 5 . 1 1 695 695 ASN CA C 695 52.975 52.975 52.847 0.128 19229 1708 1 5 . 1 1 695 695 ASN CB C 695 38.673 38.673 39.661 -0.988 19229 1709 1 5 . 1 1 695 695 ASN H H 695 7.809 7.809 7.860 -0.051 19229 1710 1 5 . 1 1 696 696 LEU N N 696 122.015 122.015 123.937 -1.922 19229 1711 1 5 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.311 -0.103 19229 1712 1 5 . 1 1 696 696 LEU C C 696 177.823 177.823 177.451 0.372 19229 1713 1 5 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.791 -0.589 19229 1714 1 5 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.150 -0.025 19229 1715 1 5 . 1 1 696 696 LEU H H 696 7.764 7.764 7.420 0.344 19229 1716 1 5 . 1 1 697 697 LYS N N 697 116.437 116.437 117.352 -0.915 19229 1717 1 5 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.126 0.011 19229 1718 1 5 . 1 1 697 697 LYS C C 697 176.536 176.536 177.623 -1.087 19229 1719 1 5 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.487 -1.530 19229 1720 1 5 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.360 -0.309 19229 1721 1 5 . 1 1 697 697 LYS H H 697 8.277 8.277 7.487 0.790 19229 1722 1 5 . 1 1 698 698 ILE N N 698 117.807 117.807 117.760 0.047 19229 1723 1 5 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.212 -0.145 19229 1724 1 5 . 1 1 698 698 ILE C C 698 175.700 175.700 176.705 -1.005 19229 1725 1 5 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.891 -0.064 19229 1726 1 5 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.062 0.103 19229 1727 1 5 . 1 1 698 698 ILE H H 698 7.650 7.650 7.550 0.100 19229 1728 1 5 . 1 1 699 699 LYS N N 699 123.286 123.286 120.404 2.882 19229 1729 1 5 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.697 0.058 19229 1730 1 5 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.138 -0.741 19229 1731 1 5 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.325 1.276 19229 1732 1 5 . 1 1 699 699 LYS H H 699 8.121 8.121 8.047 0.074 19229 1733 1 5 . 1 1 700 700 PRO HA H 700 4.250 4.250 3.991 0.259 19229 1734 1 5 . 1 1 700 700 PRO C C 700 175.213 175.213 175.764 -0.551 19229 1735 1 5 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.373 -0.573 19229 1736 1 5 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.799 0.923 19229 1737 1 5 . 1 1 701 701 PHE N N 701 122.959 122.959 117.344 5.615 19229 1738 1 5 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.671 -0.424 19229 1739 1 5 . 1 1 701 701 PHE C C 701 171.657 171.657 173.093 -1.436 19229 1740 1 5 . 1 1 701 701 PHE CA C 701 58.140 58.140 56.219 1.921 19229 1741 1 5 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.431 -1.984 19229 1742 1 5 . 1 1 701 701 PHE H H 701 8.042 8.042 7.199 0.843 19229 1743 1 5 . 1 1 702 702 TYR N N 702 123.854 123.854 121.391 2.463 19229 1744 1 5 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.837 0.193 19229 1745 1 5 . 1 1 702 702 TYR C C 702 173.915 173.915 175.449 -1.534 19229 1746 1 5 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.773 -1.967 19229 1747 1 5 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.063 -0.994 19229 1748 1 5 . 1 1 702 702 TYR H H 702 6.754 6.754 7.897 -1.143 19229 1749 1 5 . 1 1 703 703 CYS N N 703 124.963 124.963 119.491 5.472 19229 1750 1 5 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.867 -0.614 19229 1751 1 5 . 1 1 703 703 CYS CA C 703 57.300 57.300 56.384 0.916 19229 1752 1 5 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.459 1.492 19229 1753 1 5 . 1 1 703 703 CYS H H 703 9.298 9.298 8.523 0.775 19229 1754 1 5 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.211 -0.164 19229 1755 1 5 . 1 1 704 704 PRO C C 704 178.818 178.818 178.026 0.792 19229 1756 1 5 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.187 0.464 19229 1757 1 5 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.658 0.333 19229 1758 1 5 . 1 1 705 705 HIS N N 705 115.532 115.532 116.261 -0.729 19229 1759 1 5 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.313 -0.031 19229 1760 1 5 . 1 1 705 705 HIS C C 705 177.689 177.689 177.329 0.360 19229 1761 1 5 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.946 -1.300 19229 1762 1 5 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.465 0.261 19229 1763 1 5 . 1 1 705 705 HIS H H 705 7.843 7.843 8.573 -0.730 19229 1764 1 5 . 1 1 706 706 CYS N N 706 124.314 124.314 118.577 5.737 19229 1765 1 5 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.235 -0.464 19229 1766 1 5 . 1 1 706 706 CYS C C 706 177.204 177.204 177.188 0.016 19229 1767 1 5 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.057 1.190 19229 1768 1 5 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.065 3.378 19229 1769 1 5 . 1 1 706 706 CYS H H 706 8.442 8.442 7.970 0.472 19229 1770 1 5 . 1 1 707 707 LEU N N 707 119.208 119.208 120.457 -1.249 19229 1771 1 5 . 1 1 707 707 LEU HA H 707 3.750 3.750 4.082 -0.332 19229 1772 1 5 . 1 1 707 707 LEU C C 707 178.903 178.903 179.188 -0.285 19229 1773 1 5 . 1 1 707 707 LEU CA C 707 57.202 57.202 57.712 -0.510 19229 1774 1 5 . 1 1 707 707 LEU CB C 707 41.983 41.983 40.780 1.203 19229 1775 1 5 . 1 1 707 707 LEU H H 707 8.162 8.162 7.643 0.519 19229 1776 1 5 . 1 1 708 708 VAL N N 708 116.959 116.959 117.347 -0.388 19229 1777 1 5 . 1 1 708 708 VAL HA H 708 3.749 3.749 4.130 -0.381 19229 1778 1 5 . 1 1 708 708 VAL C C 708 176.876 176.876 178.732 -1.856 19229 1779 1 5 . 1 1 708 708 VAL CA C 708 64.077 64.077 64.513 -0.436 19229 1780 1 5 . 1 1 708 708 VAL CB C 708 31.984 31.984 30.794 1.190 19229 1781 1 5 . 1 1 708 708 VAL H H 708 7.161 7.161 7.460 -0.299 19229 1782 1 5 . 1 1 709 709 ALA N N 709 122.758 122.758 123.053 -0.295 19229 1783 1 5 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.090 0.023 19229 1784 1 5 . 1 1 709 709 ALA C C 709 177.859 177.859 178.633 -0.774 19229 1785 1 5 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.510 -1.817 19229 1786 1 5 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.784 -0.048 19229 1787 1 5 . 1 1 709 709 ALA H H 709 7.408 7.408 7.633 -0.225 19229 1788 1 5 . 1 1 710 710 MET N N 710 117.242 117.242 116.096 1.146 19229 1789 1 5 . 1 1 710 710 MET HA H 710 4.197 4.197 4.211 -0.014 19229 1790 1 5 . 1 1 710 710 MET C C 710 175.832 175.832 176.537 -0.705 19229 1791 1 5 . 1 1 710 710 MET CA C 710 55.557 55.557 57.110 -1.553 19229 1792 1 5 . 1 1 710 710 MET CB C 710 33.440 33.440 32.778 0.662 19229 1793 1 5 . 1 1 710 710 MET H H 710 7.586 7.586 7.462 0.124 19229 1794 1 5 . 1 1 711 711 GLU N N 711 122.546 122.546 119.534 3.012 19229 1795 1 5 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.422 -0.035 19229 1796 1 5 . 1 1 711 711 GLU CA C 711 54.384 54.384 54.987 -0.603 19229 1797 1 5 . 1 1 711 711 GLU CB C 711 29.444 29.444 29.404 0.040 19229 1798 1 5 . 1 1 711 711 GLU H H 711 7.828 7.828 7.471 0.357 19229 1799 1 5 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.348 -0.016 19229 1800 1 5 . 1 1 712 712 PRO C C 712 176.876 176.876 176.515 0.361 19229 1801 1 5 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.961 0.033 19229 1802 1 5 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.203 -0.281 19229 1803 1 5 . 1 1 713 713 VAL N N 713 120.328 120.328 117.078 3.250 19229 1804 1 5 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.169 -0.176 19229 1805 1 5 . 1 1 713 713 VAL C C 713 176.257 176.257 175.983 0.274 19229 1806 1 5 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.226 -0.093 19229 1807 1 5 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.470 0.145 19229 1808 1 5 . 1 1 713 713 VAL H H 713 8.157 8.157 7.930 0.227 19229 1809 1 5 . 1 1 714 714 SER N N 714 119.503 119.503 115.704 3.799 19229 1810 1 5 . 1 1 714 714 SER HA H 714 4.440 4.440 4.512 -0.072 19229 1811 1 5 . 1 1 714 714 SER C C 714 174.619 174.619 174.691 -0.072 19229 1812 1 5 . 1 1 714 714 SER CA C 714 57.976 57.976 57.987 -0.011 19229 1813 1 5 . 1 1 714 714 SER CB C 714 63.816 63.816 63.335 0.481 19229 1814 1 5 . 1 1 714 714 SER H H 714 8.368 8.368 8.229 0.139 19229 1815 1 5 . 1 1 715 715 THR N N 715 116.281 116.281 121.763 -5.482 19229 1816 1 5 . 1 1 715 715 THR HA H 715 4.261 4.261 4.317 -0.056 19229 1817 1 5 . 1 1 715 715 THR C C 715 173.559 173.559 174.213 -0.654 19229 1818 1 5 . 1 1 715 715 THR CA C 715 61.499 61.499 63.140 -1.641 19229 1819 1 5 . 1 1 715 715 THR CB C 715 69.476 69.476 68.892 0.584 19229 1820 1 5 . 1 1 715 715 THR H H 715 8.141 8.141 8.429 -0.288 19229 1821 1 6 . 1 1 653 653 ASN N N 653 120.067 120.067 122.266 -2.199 19229 1822 1 6 . 1 1 653 653 ASN HA H 653 4.588 4.588 5.116 -0.528 19229 1823 1 6 . 1 1 653 653 ASN C C 653 175.383 175.383 174.179 1.204 19229 1824 1 6 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.277 -0.083 19229 1825 1 6 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.922 -0.109 19229 1826 1 6 . 1 1 653 653 ASN H H 653 8.357 8.357 8.653 -0.296 19229 1827 1 6 . 1 1 654 654 THR N N 654 113.812 113.812 117.159 -3.347 19229 1828 1 6 . 1 1 654 654 THR HA H 654 4.260 4.260 4.468 -0.208 19229 1829 1 6 . 1 1 654 654 THR C C 654 174.825 174.825 173.354 1.471 19229 1830 1 6 . 1 1 654 654 THR CA C 654 61.806 61.806 61.551 0.255 19229 1831 1 6 . 1 1 654 654 THR CB C 654 69.645 69.645 69.452 0.193 19229 1832 1 6 . 1 1 654 654 THR H H 654 8.040 8.040 8.291 -0.251 19229 1833 1 6 . 1 1 655 655 SER N N 655 117.231 117.231 119.531 -2.300 19229 1834 1 6 . 1 1 655 655 SER HA H 655 4.367 4.367 4.658 -0.291 19229 1835 1 6 . 1 1 655 655 SER C C 655 174.218 174.218 172.909 1.309 19229 1836 1 6 . 1 1 655 655 SER CA C 655 58.681 58.681 58.102 0.579 19229 1837 1 6 . 1 1 655 655 SER CB C 655 63.586 63.586 64.627 -1.041 19229 1838 1 6 . 1 1 655 655 SER H H 655 8.277 8.277 8.373 -0.096 19229 1839 1 6 . 1 1 656 656 ASP N N 656 121.799 121.799 124.735 -2.936 19229 1840 1 6 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.780 -0.249 19229 1841 1 6 . 1 1 656 656 ASP C C 656 175.250 175.250 175.147 0.103 19229 1842 1 6 . 1 1 656 656 ASP CA C 656 54.385 54.385 54.089 0.296 19229 1843 1 6 . 1 1 656 656 ASP CB C 656 41.069 41.069 42.836 -1.767 19229 1844 1 6 . 1 1 656 656 ASP H H 656 8.197 8.197 8.432 -0.235 19229 1845 1 6 . 1 1 657 657 TYR N N 657 122.165 122.165 123.058 -0.893 19229 1846 1 6 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.436 0.010 19229 1847 1 6 . 1 1 657 657 TYR C C 657 174.607 174.607 175.426 -0.819 19229 1848 1 6 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.016 1.672 19229 1849 1 6 . 1 1 657 657 TYR CB C 657 39.025 39.025 37.581 1.444 19229 1850 1 6 . 1 1 657 657 TYR H H 657 8.023 8.023 8.620 -0.597 19229 1851 1 6 . 1 1 658 658 ARG N N 658 128.309 128.309 124.898 3.411 19229 1852 1 6 . 1 1 658 658 ARG HA H 658 4.377 4.377 3.852 0.525 19229 1853 1 6 . 1 1 658 658 ARG C C 658 172.871 172.871 175.377 -2.506 19229 1854 1 6 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.935 -0.496 19229 1855 1 6 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.402 3.860 19229 1856 1 6 . 1 1 658 658 ARG H H 658 8.637 8.637 8.477 0.160 19229 1857 1 6 . 1 1 659 659 PHE N N 659 125.304 125.304 121.377 3.927 19229 1858 1 6 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.351 0.574 19229 1859 1 6 . 1 1 659 659 PHE C C 659 174.558 174.558 175.298 -0.740 19229 1860 1 6 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.069 0.402 19229 1861 1 6 . 1 1 659 659 PHE CB C 659 41.719 41.719 37.832 3.887 19229 1862 1 6 . 1 1 659 659 PHE H H 659 8.551 8.551 7.121 1.430 19229 1863 1 6 . 1 1 660 660 GLU N N 660 128.804 128.804 125.201 3.603 19229 1864 1 6 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.595 -0.641 19229 1865 1 6 . 1 1 660 660 GLU C C 660 172.361 172.361 174.937 -2.576 19229 1866 1 6 . 1 1 660 660 GLU CA C 660 56.471 56.471 54.483 1.988 19229 1867 1 6 . 1 1 660 660 GLU CB C 660 31.644 31.644 33.366 -1.722 19229 1868 1 6 . 1 1 660 660 GLU H H 660 7.833 7.833 8.125 -0.292 19229 1869 1 6 . 1 1 661 661 CYS N N 661 127.001 127.001 122.008 4.993 19229 1870 1 6 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.535 -0.177 19229 1871 1 6 . 1 1 661 661 CYS C C 661 176.221 176.221 176.363 -0.142 19229 1872 1 6 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.798 0.247 19229 1873 1 6 . 1 1 661 661 CYS CB C 661 30.839 30.839 29.039 1.800 19229 1874 1 6 . 1 1 661 661 CYS H H 661 8.356 8.356 8.584 -0.228 19229 1875 1 6 . 1 1 662 662 ILE N N 662 127.765 127.765 121.813 5.952 19229 1876 1 6 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.907 0.221 19229 1877 1 6 . 1 1 662 662 ILE C C 662 176.439 176.439 176.409 0.030 19229 1878 1 6 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.477 -0.171 19229 1879 1 6 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.045 1.417 19229 1880 1 6 . 1 1 662 662 ILE H H 662 8.075 8.075 8.630 -0.555 19229 1881 1 6 . 1 1 663 663 CYS N N 663 120.000 120.000 117.343 2.657 19229 1882 1 6 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.761 -0.223 19229 1883 1 6 . 1 1 663 663 CYS C C 663 177.046 177.046 176.166 0.880 19229 1884 1 6 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.720 0.172 19229 1885 1 6 . 1 1 663 663 CYS CB C 663 30.994 30.994 27.854 3.140 19229 1886 1 6 . 1 1 663 663 CYS H H 663 7.661 7.661 8.250 -0.589 19229 1887 1 6 . 1 1 664 664 GLY N N 664 110.372 110.372 112.980 -2.608 19229 1888 1 6 . 1 1 664 664 GLY C C 664 173.818 173.818 174.245 -0.427 19229 1889 1 6 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.828 0.031 19229 1890 1 6 . 1 1 664 664 GLY H H 664 7.855 7.855 8.149 -0.294 19229 1891 1 6 . 1 1 665 665 GLU N N 665 122.002 122.002 119.230 2.772 19229 1892 1 6 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.733 -0.380 19229 1893 1 6 . 1 1 665 665 GLU C C 665 175.990 175.990 176.531 -0.541 19229 1894 1 6 . 1 1 665 665 GLU CA C 665 56.286 56.286 56.887 -0.601 19229 1895 1 6 . 1 1 665 665 GLU CB C 665 31.276 31.276 31.267 0.009 19229 1896 1 6 . 1 1 665 665 GLU H H 665 8.276 8.276 8.447 -0.171 19229 1897 1 6 . 1 1 666 666 LEU N N 666 122.355 122.355 118.739 3.616 19229 1898 1 6 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.787 -0.438 19229 1899 1 6 . 1 1 666 666 LEU C C 666 176.816 176.816 175.298 1.518 19229 1900 1 6 . 1 1 666 666 LEU CA C 666 54.595 54.595 53.914 0.681 19229 1901 1 6 . 1 1 666 666 LEU CB C 666 42.549 42.549 44.608 -2.059 19229 1902 1 6 . 1 1 666 666 LEU H H 666 8.341 8.341 8.406 -0.065 19229 1903 1 6 . 1 1 667 667 ASP N N 667 121.075 121.075 115.193 5.882 19229 1904 1 6 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.455 -0.409 19229 1905 1 6 . 1 1 667 667 ASP C C 667 175.432 175.432 175.671 -0.239 19229 1906 1 6 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.733 0.439 19229 1907 1 6 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.338 -0.269 19229 1908 1 6 . 1 1 667 667 ASP H H 667 8.325 8.325 8.399 -0.074 19229 1909 1 6 . 1 1 668 668 GLN N N 668 121.978 121.978 118.899 3.079 19229 1910 1 6 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.408 -0.211 19229 1911 1 6 . 1 1 668 668 GLN C C 668 175.420 175.420 175.532 -0.112 19229 1912 1 6 . 1 1 668 668 GLN CA C 668 55.225 55.225 55.083 0.142 19229 1913 1 6 . 1 1 668 668 GLN CB C 668 30.149 30.149 29.691 0.458 19229 1914 1 6 . 1 1 668 668 GLN H H 668 8.083 8.083 7.631 0.452 19229 1915 1 6 . 1 1 669 669 ILE N N 669 120.079 120.079 118.165 1.914 19229 1916 1 6 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.178 -0.300 19229 1917 1 6 . 1 1 669 669 ILE C C 669 175.347 175.347 177.275 -1.928 19229 1918 1 6 . 1 1 669 669 ILE CA C 669 61.499 61.499 63.095 -1.596 19229 1919 1 6 . 1 1 669 669 ILE CB C 669 37.123 37.123 38.181 -1.058 19229 1920 1 6 . 1 1 669 669 ILE H H 669 8.155 8.155 8.378 -0.223 19229 1921 1 6 . 1 1 670 670 ASP N N 670 123.410 123.410 120.267 3.143 19229 1922 1 6 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.375 0.051 19229 1923 1 6 . 1 1 670 670 ASP C C 670 176.124 176.124 177.545 -1.421 19229 1924 1 6 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.594 -2.985 19229 1925 1 6 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.763 0.376 19229 1926 1 6 . 1 1 670 670 ASP H H 670 7.992 7.992 8.067 -0.075 19229 1927 1 6 . 1 1 671 671 ARG N N 671 118.285 118.285 118.617 -0.332 19229 1928 1 6 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.254 -0.085 19229 1929 1 6 . 1 1 671 671 ARG C C 671 176.476 176.476 176.157 0.319 19229 1930 1 6 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.951 -0.913 19229 1931 1 6 . 1 1 671 671 ARG CB C 671 29.552 29.552 30.999 -1.447 19229 1932 1 6 . 1 1 671 671 ARG H H 671 8.274 8.274 8.451 -0.177 19229 1933 1 6 . 1 1 672 672 LYS N N 672 122.196 122.196 118.589 3.607 19229 1934 1 6 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.770 -0.284 19229 1935 1 6 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.327 2.620 19229 1936 1 6 . 1 1 672 672 LYS CB C 672 32.262 32.262 33.002 -0.740 19229 1937 1 6 . 1 1 672 672 LYS H H 672 8.060 8.060 7.772 0.288 19229 1938 1 6 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.288 0.110 19229 1939 1 6 . 1 1 673 673 PRO C C 673 177.204 177.204 176.312 0.892 19229 1940 1 6 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.376 0.588 19229 1941 1 6 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.357 0.181 19229 1942 1 6 . 1 1 674 674 ARG N N 674 123.076 123.076 120.376 2.700 19229 1943 1 6 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.637 0.851 19229 1944 1 6 . 1 1 674 674 ARG C C 674 174.473 174.473 174.930 -0.457 19229 1945 1 6 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.488 0.496 19229 1946 1 6 . 1 1 674 674 ARG CB C 674 35.552 35.552 33.270 2.282 19229 1947 1 6 . 1 1 674 674 ARG H H 674 8.982 8.982 8.149 0.833 19229 1948 1 6 . 1 1 675 675 VAL N N 675 116.941 116.941 115.469 1.472 19229 1949 1 6 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.146 0.304 19229 1950 1 6 . 1 1 675 675 VAL C C 675 171.342 171.342 174.794 -3.452 19229 1951 1 6 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.829 -1.303 19229 1952 1 6 . 1 1 675 675 VAL CB C 675 35.310 35.310 33.922 1.388 19229 1953 1 6 . 1 1 675 675 VAL H H 675 9.109 9.109 8.308 0.801 19229 1954 1 6 . 1 1 676 676 GLN N N 676 126.293 126.293 126.666 -0.373 19229 1955 1 6 . 1 1 676 676 GLN HA H 676 4.053 4.053 5.013 -0.960 19229 1956 1 6 . 1 1 676 676 GLN C C 676 174.910 174.910 176.012 -1.102 19229 1957 1 6 . 1 1 676 676 GLN CA C 676 53.209 53.209 54.663 -1.454 19229 1958 1 6 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.111 1.989 19229 1959 1 6 . 1 1 676 676 GLN H H 676 7.755 7.755 8.695 -0.940 19229 1960 1 6 . 1 1 677 677 CYS N N 677 128.217 128.217 124.961 3.256 19229 1961 1 6 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.531 -0.458 19229 1962 1 6 . 1 1 677 677 CYS C C 677 177.471 177.471 176.785 0.686 19229 1963 1 6 . 1 1 677 677 CYS CA C 677 59.449 59.449 59.099 0.350 19229 1964 1 6 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.759 4.968 19229 1965 1 6 . 1 1 677 677 CYS H H 677 8.366 8.366 8.444 -0.078 19229 1966 1 6 . 1 1 678 678 LEU N N 678 131.279 131.279 125.542 5.737 19229 1967 1 6 . 1 1 678 678 LEU HA H 678 3.838 3.838 3.852 -0.014 19229 1968 1 6 . 1 1 678 678 LEU C C 678 176.718 176.718 177.231 -0.513 19229 1969 1 6 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.628 -0.779 19229 1970 1 6 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.263 0.791 19229 1971 1 6 . 1 1 678 678 LEU H H 678 8.304 8.304 8.089 0.215 19229 1972 1 6 . 1 1 679 679 LYS N N 679 120.707 120.707 118.399 2.308 19229 1973 1 6 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.131 0.204 19229 1974 1 6 . 1 1 679 679 LYS C C 679 176.160 176.160 177.517 -1.357 19229 1975 1 6 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.546 -0.560 19229 1976 1 6 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.699 0.338 19229 1977 1 6 . 1 1 679 679 LYS H H 679 8.752 8.752 8.160 0.592 19229 1978 1 6 . 1 1 680 680 CYS N N 680 118.211 118.211 113.671 4.540 19229 1979 1 6 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.883 -0.417 19229 1980 1 6 . 1 1 680 680 CYS C C 680 176.306 176.306 174.709 1.597 19229 1981 1 6 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.497 1.677 19229 1982 1 6 . 1 1 680 680 CYS CB C 680 31.346 31.346 28.347 2.999 19229 1983 1 6 . 1 1 680 680 CYS H H 680 8.230 8.230 7.789 0.441 19229 1984 1 6 . 1 1 681 681 HIS N N 681 113.392 113.392 117.448 -4.056 19229 1985 1 6 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.846 0.358 19229 1986 1 6 . 1 1 681 681 HIS C C 681 173.478 173.478 173.124 0.354 19229 1987 1 6 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.477 0.513 19229 1988 1 6 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.167 -0.611 19229 1989 1 6 . 1 1 681 681 HIS H H 681 7.149 7.149 8.320 -1.171 19229 1990 1 6 . 1 1 682 682 LEU N N 682 124.066 124.066 121.035 3.031 19229 1991 1 6 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.254 0.041 19229 1992 1 6 . 1 1 682 682 LEU C C 682 176.670 176.670 175.432 1.238 19229 1993 1 6 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.333 2.894 19229 1994 1 6 . 1 1 682 682 LEU CB C 682 44.035 44.035 42.141 1.894 19229 1995 1 6 . 1 1 682 682 LEU H H 682 8.172 8.172 7.292 0.880 19229 1996 1 6 . 1 1 683 683 TRP N N 683 124.208 124.208 126.924 -2.716 19229 1997 1 6 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.516 0.575 19229 1998 1 6 . 1 1 683 683 TRP C C 683 174.133 174.133 174.654 -0.521 19229 1999 1 6 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.944 0.778 19229 2000 1 6 . 1 1 683 683 TRP CB C 683 31.814 31.814 28.473 3.341 19229 2001 1 6 . 1 1 683 683 TRP H H 683 8.666 8.666 8.517 0.149 19229 2002 1 6 . 1 1 684 684 GLN N N 684 114.943 114.943 119.944 -5.001 19229 2003 1 6 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.612 -0.647 19229 2004 1 6 . 1 1 684 684 GLN C C 684 176.002 176.002 174.984 1.018 19229 2005 1 6 . 1 1 684 684 GLN CA C 684 54.595 54.595 53.746 0.849 19229 2006 1 6 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.325 -0.570 19229 2007 1 6 . 1 1 684 684 GLN H H 684 8.655 8.655 8.090 0.565 19229 2008 1 6 . 1 1 685 685 HIS N N 685 121.485 121.485 118.968 2.517 19229 2009 1 6 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.936 0.075 19229 2010 1 6 . 1 1 685 685 HIS C C 685 175.990 175.990 175.169 0.821 19229 2011 1 6 . 1 1 685 685 HIS CA C 685 58.024 58.024 55.480 2.544 19229 2012 1 6 . 1 1 685 685 HIS CB C 685 31.454 31.454 31.629 -0.175 19229 2013 1 6 . 1 1 685 685 HIS H H 685 9.487 9.487 8.216 1.271 19229 2014 1 6 . 1 1 686 686 ALA N N 686 125.728 125.728 128.486 -2.758 19229 2015 1 6 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.072 -0.370 19229 2016 1 6 . 1 1 686 686 ALA C C 686 179.000 179.000 179.259 -0.259 19229 2017 1 6 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.758 -0.600 19229 2018 1 6 . 1 1 686 686 ALA CB C 686 17.858 17.858 19.047 -1.189 19229 2019 1 6 . 1 1 686 686 ALA H H 686 8.436 8.436 8.643 -0.207 19229 2020 1 6 . 1 1 687 687 LYS N N 687 116.216 116.216 118.384 -2.168 19229 2021 1 6 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.292 -0.168 19229 2022 1 6 . 1 1 687 687 LYS C C 687 180.129 180.129 179.282 0.847 19229 2023 1 6 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.801 -0.120 19229 2024 1 6 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.916 0.346 19229 2025 1 6 . 1 1 687 687 LYS H H 687 9.407 9.407 8.054 1.353 19229 2026 1 6 . 1 1 688 688 CYS N N 688 117.136 117.136 116.321 0.815 19229 2027 1 6 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.401 -0.472 19229 2028 1 6 . 1 1 688 688 CYS C C 688 176.439 176.439 176.197 0.242 19229 2029 1 6 . 1 1 688 688 CYS CA C 688 62.584 62.584 61.479 1.105 19229 2030 1 6 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.473 3.676 19229 2031 1 6 . 1 1 688 688 CYS H H 688 6.702 6.702 8.361 -1.659 19229 2032 1 6 . 1 1 689 689 VAL N N 689 106.705 106.705 116.336 -9.631 19229 2033 1 6 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.455 -0.041 19229 2034 1 6 . 1 1 689 689 VAL C C 689 175.007 175.007 175.258 -0.251 19229 2035 1 6 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.227 -1.067 19229 2036 1 6 . 1 1 689 689 VAL CB C 689 30.924 30.924 31.762 -0.838 19229 2037 1 6 . 1 1 689 689 VAL H H 689 6.932 6.932 7.616 -0.684 19229 2038 1 6 . 1 1 690 690 ASN N N 690 117.807 117.807 114.444 3.363 19229 2039 1 6 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.298 -0.032 19229 2040 1 6 . 1 1 690 690 ASN C C 690 173.405 173.405 174.398 -0.993 19229 2041 1 6 . 1 1 690 690 ASN CA C 690 54.147 54.147 55.197 -1.050 19229 2042 1 6 . 1 1 690 690 ASN CB C 690 37.094 37.094 36.608 0.486 19229 2043 1 6 . 1 1 690 690 ASN H H 690 7.770 7.770 7.805 -0.035 19229 2044 1 6 . 1 1 691 691 TYR N N 691 120.010 120.010 119.669 0.341 19229 2045 1 6 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.504 -0.064 19229 2046 1 6 . 1 1 691 691 TYR C C 691 174.073 174.073 173.991 0.082 19229 2047 1 6 . 1 1 691 691 TYR CA C 691 57.695 57.695 58.781 -1.086 19229 2048 1 6 . 1 1 691 691 TYR CB C 691 40.575 40.575 40.975 -0.400 19229 2049 1 6 . 1 1 691 691 TYR H H 691 8.271 8.271 8.161 0.110 19229 2050 1 6 . 1 1 692 692 ASP N N 692 126.612 126.612 116.808 9.804 19229 2051 1 6 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.778 -0.413 19229 2052 1 6 . 1 1 692 692 ASP C C 692 175.663 175.663 175.709 -0.046 19229 2053 1 6 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.533 0.301 19229 2054 1 6 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.850 -2.476 19229 2055 1 6 . 1 1 692 692 ASP H H 692 7.799 7.799 7.698 0.101 19229 2056 1 6 . 1 1 693 693 GLU N N 693 125.198 125.198 116.376 8.822 19229 2057 1 6 . 1 1 693 693 GLU HA H 693 3.924 3.924 3.995 -0.071 19229 2058 1 6 . 1 1 693 693 GLU C C 693 177.119 177.119 178.218 -1.099 19229 2059 1 6 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.689 -0.501 19229 2060 1 6 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.559 -0.462 19229 2061 1 6 . 1 1 693 693 GLU H H 693 8.792 8.792 8.696 0.096 19229 2062 1 6 . 1 1 694 694 LYS N N 694 120.048 120.048 119.660 0.388 19229 2063 1 6 . 1 1 694 694 LYS HA H 694 4.070 4.070 3.969 0.101 19229 2064 1 6 . 1 1 694 694 LYS C C 694 177.168 177.168 178.722 -1.554 19229 2065 1 6 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.981 -1.427 19229 2066 1 6 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.165 -0.678 19229 2067 1 6 . 1 1 694 694 LYS H H 694 8.294 8.294 7.880 0.414 19229 2068 1 6 . 1 1 695 695 ASN N N 695 117.271 117.271 116.664 0.607 19229 2069 1 6 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.614 -0.004 19229 2070 1 6 . 1 1 695 695 ASN C C 695 175.517 175.517 177.142 -1.625 19229 2071 1 6 . 1 1 695 695 ASN CA C 695 52.975 52.975 54.061 -1.086 19229 2072 1 6 . 1 1 695 695 ASN CB C 695 38.673 38.673 38.555 0.118 19229 2073 1 6 . 1 1 695 695 ASN H H 695 7.809 7.809 8.060 -0.251 19229 2074 1 6 . 1 1 696 696 LEU N N 696 122.015 122.015 123.043 -1.028 19229 2075 1 6 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.216 -0.008 19229 2076 1 6 . 1 1 696 696 LEU C C 696 177.823 177.823 177.268 0.555 19229 2077 1 6 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.498 -0.296 19229 2078 1 6 . 1 1 696 696 LEU CB C 696 42.125 42.125 41.893 0.232 19229 2079 1 6 . 1 1 696 696 LEU H H 696 7.764 7.764 7.301 0.463 19229 2080 1 6 . 1 1 697 697 LYS N N 697 116.437 116.437 117.989 -1.552 19229 2081 1 6 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.058 0.079 19229 2082 1 6 . 1 1 697 697 LYS C C 697 176.536 176.536 178.309 -1.773 19229 2083 1 6 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.944 -1.987 19229 2084 1 6 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.298 -0.247 19229 2085 1 6 . 1 1 697 697 LYS H H 697 8.277 8.277 7.521 0.756 19229 2086 1 6 . 1 1 698 698 ILE N N 698 117.807 117.807 117.883 -0.076 19229 2087 1 6 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.003 0.064 19229 2088 1 6 . 1 1 698 698 ILE C C 698 175.700 175.700 176.817 -1.117 19229 2089 1 6 . 1 1 698 698 ILE CA C 698 61.827 61.827 62.634 -0.807 19229 2090 1 6 . 1 1 698 698 ILE CB C 698 39.166 39.166 38.635 0.531 19229 2091 1 6 . 1 1 698 698 ILE H H 698 7.650 7.650 7.617 0.033 19229 2092 1 6 . 1 1 699 699 LYS N N 699 123.286 123.286 119.636 3.650 19229 2093 1 6 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.642 0.113 19229 2094 1 6 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.157 -0.760 19229 2095 1 6 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.563 1.038 19229 2096 1 6 . 1 1 699 699 LYS H H 699 8.121 8.121 7.862 0.259 19229 2097 1 6 . 1 1 700 700 PRO HA H 700 4.250 4.250 4.035 0.215 19229 2098 1 6 . 1 1 700 700 PRO C C 700 175.213 175.213 175.153 0.060 19229 2099 1 6 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.250 -0.450 19229 2100 1 6 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.646 1.076 19229 2101 1 6 . 1 1 701 701 PHE N N 701 122.959 122.959 119.348 3.611 19229 2102 1 6 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.424 -0.177 19229 2103 1 6 . 1 1 701 701 PHE C C 701 171.657 171.657 173.161 -1.504 19229 2104 1 6 . 1 1 701 701 PHE CA C 701 58.140 58.140 55.405 2.735 19229 2105 1 6 . 1 1 701 701 PHE CB C 701 39.448 39.448 40.796 -1.348 19229 2106 1 6 . 1 1 701 701 PHE H H 701 8.042 8.042 7.017 1.025 19229 2107 1 6 . 1 1 702 702 TYR N N 702 123.854 123.854 122.233 1.621 19229 2108 1 6 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.755 0.275 19229 2109 1 6 . 1 1 702 702 TYR C C 702 173.915 173.915 175.756 -1.841 19229 2110 1 6 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.591 -1.785 19229 2111 1 6 . 1 1 702 702 TYR CB C 702 41.069 41.069 41.773 -0.704 19229 2112 1 6 . 1 1 702 702 TYR H H 702 6.754 6.754 7.927 -1.173 19229 2113 1 6 . 1 1 703 703 CYS N N 703 124.963 124.963 120.343 4.620 19229 2114 1 6 . 1 1 703 703 CYS HA H 703 4.253 4.253 5.007 -0.754 19229 2115 1 6 . 1 1 703 703 CYS CA C 703 57.300 57.300 55.494 1.806 19229 2116 1 6 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.835 1.116 19229 2117 1 6 . 1 1 703 703 CYS H H 703 9.298 9.298 8.554 0.744 19229 2118 1 6 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.216 -0.169 19229 2119 1 6 . 1 1 704 704 PRO C C 704 178.818 178.818 178.186 0.632 19229 2120 1 6 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.141 0.510 19229 2121 1 6 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.758 0.233 19229 2122 1 6 . 1 1 705 705 HIS N N 705 115.532 115.532 116.741 -1.209 19229 2123 1 6 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.310 -0.028 19229 2124 1 6 . 1 1 705 705 HIS C C 705 177.689 177.689 177.366 0.323 19229 2125 1 6 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.593 -0.947 19229 2126 1 6 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.583 0.143 19229 2127 1 6 . 1 1 705 705 HIS H H 705 7.843 7.843 8.722 -0.879 19229 2128 1 6 . 1 1 706 706 CYS N N 706 124.314 124.314 117.803 6.511 19229 2129 1 6 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.226 -0.455 19229 2130 1 6 . 1 1 706 706 CYS C C 706 177.204 177.204 176.980 0.224 19229 2131 1 6 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.242 1.005 19229 2132 1 6 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.365 3.078 19229 2133 1 6 . 1 1 706 706 CYS H H 706 8.442 8.442 7.872 0.570 19229 2134 1 6 . 1 1 707 707 LEU N N 707 119.208 119.208 120.152 -0.944 19229 2135 1 6 . 1 1 707 707 LEU HA H 707 3.750 3.750 4.008 -0.258 19229 2136 1 6 . 1 1 707 707 LEU C C 707 178.903 178.903 178.929 -0.026 19229 2137 1 6 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.091 -0.889 19229 2138 1 6 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.615 0.368 19229 2139 1 6 . 1 1 707 707 LEU H H 707 8.162 8.162 7.468 0.694 19229 2140 1 6 . 1 1 708 708 VAL N N 708 116.959 116.959 118.216 -1.257 19229 2141 1 6 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.874 -0.125 19229 2142 1 6 . 1 1 708 708 VAL C C 708 176.876 176.876 176.799 0.077 19229 2143 1 6 . 1 1 708 708 VAL CA C 708 64.077 64.077 64.862 -0.785 19229 2144 1 6 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.257 0.727 19229 2145 1 6 . 1 1 708 708 VAL H H 708 7.161 7.161 8.015 -0.854 19229 2146 1 6 . 1 1 709 709 ALA N N 709 122.758 122.758 122.490 0.268 19229 2147 1 6 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.128 -0.015 19229 2148 1 6 . 1 1 709 709 ALA C C 709 177.859 177.859 178.639 -0.780 19229 2149 1 6 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.450 -1.757 19229 2150 1 6 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.923 -0.187 19229 2151 1 6 . 1 1 709 709 ALA H H 709 7.408 7.408 7.701 -0.293 19229 2152 1 6 . 1 1 710 710 MET N N 710 117.242 117.242 116.224 1.018 19229 2153 1 6 . 1 1 710 710 MET HA H 710 4.197 4.197 4.345 -0.148 19229 2154 1 6 . 1 1 710 710 MET C C 710 175.832 175.832 176.234 -0.402 19229 2155 1 6 . 1 1 710 710 MET CA C 710 55.557 55.557 56.811 -1.254 19229 2156 1 6 . 1 1 710 710 MET CB C 710 33.440 33.440 33.670 -0.230 19229 2157 1 6 . 1 1 710 710 MET H H 710 7.586 7.586 7.615 -0.029 19229 2158 1 6 . 1 1 711 711 GLU N N 711 122.546 122.546 114.951 7.595 19229 2159 1 6 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.083 0.304 19229 2160 1 6 . 1 1 711 711 GLU CA C 711 54.384 54.384 56.394 -2.010 19229 2161 1 6 . 1 1 711 711 GLU CB C 711 29.444 29.444 28.242 1.202 19229 2162 1 6 . 1 1 711 711 GLU H H 711 7.828 7.828 7.806 0.022 19229 2163 1 6 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.396 -0.064 19229 2164 1 6 . 1 1 712 712 PRO C C 712 176.876 176.876 176.504 0.372 19229 2165 1 6 . 1 1 712 712 PRO CA C 712 62.994 62.994 63.656 -0.662 19229 2166 1 6 . 1 1 712 712 PRO CB C 712 31.922 31.922 31.150 0.772 19229 2167 1 6 . 1 1 713 713 VAL N N 713 120.328 120.328 120.628 -0.300 19229 2168 1 6 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.062 -0.069 19229 2169 1 6 . 1 1 713 713 VAL C C 713 176.257 176.257 176.053 0.204 19229 2170 1 6 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.782 -0.649 19229 2171 1 6 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.016 0.600 19229 2172 1 6 . 1 1 713 713 VAL H H 713 8.157 8.157 7.856 0.301 19229 2173 1 6 . 1 1 714 714 SER N N 714 119.503 119.503 115.483 4.020 19229 2174 1 6 . 1 1 714 714 SER HA H 714 4.440 4.440 4.642 -0.202 19229 2175 1 6 . 1 1 714 714 SER C C 714 174.619 174.619 174.262 0.357 19229 2176 1 6 . 1 1 714 714 SER CA C 714 57.976 57.976 57.925 0.051 19229 2177 1 6 . 1 1 714 714 SER CB C 714 63.816 63.816 63.749 0.067 19229 2178 1 6 . 1 1 714 714 SER H H 714 8.368 8.368 7.798 0.570 19229 2179 1 6 . 1 1 715 715 THR N N 715 116.281 116.281 117.851 -1.570 19229 2180 1 6 . 1 1 715 715 THR HA H 715 4.261 4.261 4.588 -0.327 19229 2181 1 6 . 1 1 715 715 THR C C 715 173.559 173.559 174.534 -0.975 19229 2182 1 6 . 1 1 715 715 THR CA C 715 61.499 61.499 61.297 0.202 19229 2183 1 6 . 1 1 715 715 THR CB C 715 69.476 69.476 69.739 -0.263 19229 2184 1 6 . 1 1 715 715 THR H H 715 8.141 8.141 8.229 -0.088 19229 2185 1 7 . 1 1 653 653 ASN N N 653 120.067 120.067 120.650 -0.583 19229 2186 1 7 . 1 1 653 653 ASN HA H 653 4.588 4.588 5.123 -0.535 19229 2187 1 7 . 1 1 653 653 ASN C C 653 175.383 175.383 175.748 -0.365 19229 2188 1 7 . 1 1 653 653 ASN CA C 653 53.194 53.194 52.794 0.400 19229 2189 1 7 . 1 1 653 653 ASN CB C 653 38.813 38.813 40.497 -1.684 19229 2190 1 7 . 1 1 653 653 ASN H H 653 8.357 8.357 8.157 0.200 19229 2191 1 7 . 1 1 654 654 THR N N 654 113.812 113.812 113.277 0.535 19229 2192 1 7 . 1 1 654 654 THR HA H 654 4.260 4.260 3.867 0.393 19229 2193 1 7 . 1 1 654 654 THR C C 654 174.825 174.825 174.342 0.483 19229 2194 1 7 . 1 1 654 654 THR CA C 654 61.806 61.806 64.013 -2.208 19229 2195 1 7 . 1 1 654 654 THR CB C 654 69.645 69.645 68.191 1.454 19229 2196 1 7 . 1 1 654 654 THR H H 654 8.040 8.040 8.723 -0.683 19229 2197 1 7 . 1 1 655 655 SER N N 655 117.231 117.231 113.814 3.417 19229 2198 1 7 . 1 1 655 655 SER HA H 655 4.367 4.367 4.067 0.300 19229 2199 1 7 . 1 1 655 655 SER C C 655 174.218 174.218 173.614 0.604 19229 2200 1 7 . 1 1 655 655 SER CA C 655 58.681 58.681 59.559 -0.878 19229 2201 1 7 . 1 1 655 655 SER CB C 655 63.586 63.586 63.291 0.295 19229 2202 1 7 . 1 1 655 655 SER H H 655 8.277 8.277 7.514 0.763 19229 2203 1 7 . 1 1 656 656 ASP N N 656 121.799 121.799 121.913 -0.114 19229 2204 1 7 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.419 0.112 19229 2205 1 7 . 1 1 656 656 ASP C C 656 175.250 175.250 174.311 0.939 19229 2206 1 7 . 1 1 656 656 ASP CA C 656 54.385 54.385 53.582 0.803 19229 2207 1 7 . 1 1 656 656 ASP CB C 656 41.069 41.069 39.838 1.231 19229 2208 1 7 . 1 1 656 656 ASP H H 656 8.197 8.197 7.916 0.281 19229 2209 1 7 . 1 1 657 657 TYR N N 657 122.165 122.165 122.322 -0.157 19229 2210 1 7 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.489 -0.043 19229 2211 1 7 . 1 1 657 657 TYR C C 657 174.607 174.607 176.304 -1.697 19229 2212 1 7 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.624 1.064 19229 2213 1 7 . 1 1 657 657 TYR CB C 657 39.025 39.025 39.621 -0.596 19229 2214 1 7 . 1 1 657 657 TYR H H 657 8.023 8.023 8.004 0.019 19229 2215 1 7 . 1 1 658 658 ARG N N 658 128.309 128.309 126.168 2.141 19229 2216 1 7 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.149 0.228 19229 2217 1 7 . 1 1 658 658 ARG C C 658 172.871 172.871 175.900 -3.029 19229 2218 1 7 . 1 1 658 658 ARG CA C 658 55.440 55.440 54.877 0.563 19229 2219 1 7 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.216 4.046 19229 2220 1 7 . 1 1 658 658 ARG H H 658 8.637 8.637 8.793 -0.156 19229 2221 1 7 . 1 1 659 659 PHE N N 659 125.304 125.304 120.112 5.192 19229 2222 1 7 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.475 0.450 19229 2223 1 7 . 1 1 659 659 PHE C C 659 174.558 174.558 174.484 0.074 19229 2224 1 7 . 1 1 659 659 PHE CA C 659 56.471 56.471 55.403 1.068 19229 2225 1 7 . 1 1 659 659 PHE CB C 659 41.719 41.719 37.047 4.673 19229 2226 1 7 . 1 1 659 659 PHE H H 659 8.551 8.551 7.018 1.533 19229 2227 1 7 . 1 1 660 660 GLU N N 660 128.804 128.804 121.324 7.480 19229 2228 1 7 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.573 -0.619 19229 2229 1 7 . 1 1 660 660 GLU C C 660 172.361 172.361 175.623 -3.262 19229 2230 1 7 . 1 1 660 660 GLU CA C 660 56.471 56.471 54.954 1.517 19229 2231 1 7 . 1 1 660 660 GLU CB C 660 31.644 31.644 32.678 -1.034 19229 2232 1 7 . 1 1 660 660 GLU H H 660 7.833 7.833 7.735 0.098 19229 2233 1 7 . 1 1 661 661 CYS N N 661 127.001 127.001 124.714 2.287 19229 2234 1 7 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.635 -0.277 19229 2235 1 7 . 1 1 661 661 CYS C C 661 176.221 176.221 177.092 -0.871 19229 2236 1 7 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.637 0.408 19229 2237 1 7 . 1 1 661 661 CYS CB C 661 30.839 30.839 28.117 2.722 19229 2238 1 7 . 1 1 661 661 CYS H H 661 8.356 8.356 8.664 -0.308 19229 2239 1 7 . 1 1 662 662 ILE N N 662 127.765 127.765 124.066 3.699 19229 2240 1 7 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.834 0.294 19229 2241 1 7 . 1 1 662 662 ILE C C 662 176.439 176.439 176.417 0.022 19229 2242 1 7 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.664 -0.358 19229 2243 1 7 . 1 1 662 662 ILE CB C 662 38.462 38.462 36.977 1.485 19229 2244 1 7 . 1 1 662 662 ILE H H 662 8.075 8.075 8.570 -0.495 19229 2245 1 7 . 1 1 663 663 CYS N N 663 120.000 120.000 117.333 2.667 19229 2246 1 7 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.706 -0.168 19229 2247 1 7 . 1 1 663 663 CYS C C 663 177.046 177.046 175.953 1.093 19229 2248 1 7 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.858 0.034 19229 2249 1 7 . 1 1 663 663 CYS CB C 663 30.994 30.994 28.043 2.951 19229 2250 1 7 . 1 1 663 663 CYS H H 663 7.661 7.661 8.305 -0.644 19229 2251 1 7 . 1 1 664 664 GLY N N 664 110.372 110.372 112.731 -2.359 19229 2252 1 7 . 1 1 664 664 GLY C C 664 173.818 173.818 173.502 0.316 19229 2253 1 7 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.120 0.739 19229 2254 1 7 . 1 1 664 664 GLY H H 664 7.855 7.855 8.061 -0.206 19229 2255 1 7 . 1 1 665 665 GLU N N 665 122.002 122.002 121.580 0.422 19229 2256 1 7 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.571 -0.218 19229 2257 1 7 . 1 1 665 665 GLU C C 665 175.990 175.990 176.021 -0.031 19229 2258 1 7 . 1 1 665 665 GLU CA C 665 56.286 56.286 54.513 1.773 19229 2259 1 7 . 1 1 665 665 GLU CB C 665 31.276 31.276 33.341 -2.065 19229 2260 1 7 . 1 1 665 665 GLU H H 665 8.276 8.276 8.389 -0.113 19229 2261 1 7 . 1 1 666 666 LEU N N 666 122.355 122.355 122.208 0.147 19229 2262 1 7 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.352 -0.003 19229 2263 1 7 . 1 1 666 666 LEU C C 666 176.816 176.816 176.529 0.287 19229 2264 1 7 . 1 1 666 666 LEU CA C 666 54.595 54.595 55.165 -0.570 19229 2265 1 7 . 1 1 666 666 LEU CB C 666 42.549 42.549 41.878 0.671 19229 2266 1 7 . 1 1 666 666 LEU H H 666 8.341 8.341 8.573 -0.232 19229 2267 1 7 . 1 1 667 667 ASP N N 667 121.075 121.075 124.188 -3.113 19229 2268 1 7 . 1 1 667 667 ASP HA H 667 4.046 4.046 5.005 -0.959 19229 2269 1 7 . 1 1 667 667 ASP C C 667 175.432 175.432 175.110 0.322 19229 2270 1 7 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.004 1.168 19229 2271 1 7 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.019 0.050 19229 2272 1 7 . 1 1 667 667 ASP H H 667 8.325 8.325 8.872 -0.547 19229 2273 1 7 . 1 1 668 668 GLN N N 668 121.978 121.978 118.089 3.889 19229 2274 1 7 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.466 -0.269 19229 2275 1 7 . 1 1 668 668 GLN C C 668 175.420 175.420 176.966 -1.546 19229 2276 1 7 . 1 1 668 668 GLN CA C 668 55.225 55.225 55.137 0.088 19229 2277 1 7 . 1 1 668 668 GLN CB C 668 30.149 30.149 30.238 -0.089 19229 2278 1 7 . 1 1 668 668 GLN H H 668 8.083 8.083 8.171 -0.088 19229 2279 1 7 . 1 1 669 669 ILE N N 669 120.079 120.079 124.602 -4.523 19229 2280 1 7 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.015 -0.137 19229 2281 1 7 . 1 1 669 669 ILE C C 669 175.347 175.347 176.491 -1.144 19229 2282 1 7 . 1 1 669 669 ILE CA C 669 61.499 61.499 63.655 -2.156 19229 2283 1 7 . 1 1 669 669 ILE CB C 669 37.123 37.123 38.336 -1.213 19229 2284 1 7 . 1 1 669 669 ILE H H 669 8.155 8.155 8.541 -0.386 19229 2285 1 7 . 1 1 670 670 ASP N N 670 123.410 123.410 118.653 4.757 19229 2286 1 7 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.396 0.030 19229 2287 1 7 . 1 1 670 670 ASP C C 670 176.124 176.124 177.792 -1.668 19229 2288 1 7 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.343 -2.734 19229 2289 1 7 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.796 0.343 19229 2290 1 7 . 1 1 670 670 ASP H H 670 7.992 7.992 8.025 -0.033 19229 2291 1 7 . 1 1 671 671 ARG N N 671 118.285 118.285 118.156 0.129 19229 2292 1 7 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.352 -0.183 19229 2293 1 7 . 1 1 671 671 ARG C C 671 176.476 176.476 176.413 0.063 19229 2294 1 7 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.990 -0.953 19229 2295 1 7 . 1 1 671 671 ARG CB C 671 29.552 29.552 31.143 -1.591 19229 2296 1 7 . 1 1 671 671 ARG H H 671 8.274 8.274 7.876 0.398 19229 2297 1 7 . 1 1 672 672 LYS N N 672 122.196 122.196 118.713 3.483 19229 2298 1 7 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.800 -0.314 19229 2299 1 7 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.245 2.702 19229 2300 1 7 . 1 1 672 672 LYS CB C 672 32.262 32.262 33.280 -1.018 19229 2301 1 7 . 1 1 672 672 LYS H H 672 8.060 8.060 8.142 -0.082 19229 2302 1 7 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.306 0.092 19229 2303 1 7 . 1 1 673 673 PRO C C 673 177.204 177.204 175.871 1.333 19229 2304 1 7 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.317 0.647 19229 2305 1 7 . 1 1 673 673 PRO CB C 673 32.538 32.538 31.968 0.570 19229 2306 1 7 . 1 1 674 674 ARG N N 674 123.076 123.076 123.348 -0.272 19229 2307 1 7 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.592 0.896 19229 2308 1 7 . 1 1 674 674 ARG C C 674 174.473 174.473 174.631 -0.158 19229 2309 1 7 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.765 0.219 19229 2310 1 7 . 1 1 674 674 ARG CB C 674 35.552 35.552 32.824 2.728 19229 2311 1 7 . 1 1 674 674 ARG H H 674 8.982 8.982 8.260 0.722 19229 2312 1 7 . 1 1 675 675 VAL N N 675 116.941 116.941 119.571 -2.630 19229 2313 1 7 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.252 0.198 19229 2314 1 7 . 1 1 675 675 VAL C C 675 171.342 171.342 174.987 -3.645 19229 2315 1 7 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.340 -0.814 19229 2316 1 7 . 1 1 675 675 VAL CB C 675 35.310 35.310 33.308 2.002 19229 2317 1 7 . 1 1 675 675 VAL H H 675 9.109 9.109 8.665 0.444 19229 2318 1 7 . 1 1 676 676 GLN N N 676 126.293 126.293 126.466 -0.173 19229 2319 1 7 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.844 -0.791 19229 2320 1 7 . 1 1 676 676 GLN C C 676 174.910 174.910 175.667 -0.757 19229 2321 1 7 . 1 1 676 676 GLN CA C 676 53.209 53.209 55.024 -1.815 19229 2322 1 7 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.061 2.039 19229 2323 1 7 . 1 1 676 676 GLN H H 676 7.755 7.755 8.795 -1.040 19229 2324 1 7 . 1 1 677 677 CYS N N 677 128.217 128.217 124.985 3.232 19229 2325 1 7 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.518 -0.445 19229 2326 1 7 . 1 1 677 677 CYS C C 677 177.471 177.471 176.923 0.548 19229 2327 1 7 . 1 1 677 677 CYS CA C 677 59.449 59.449 59.307 0.142 19229 2328 1 7 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.840 4.887 19229 2329 1 7 . 1 1 677 677 CYS H H 677 8.366 8.366 8.621 -0.255 19229 2330 1 7 . 1 1 678 678 LEU N N 678 131.279 131.279 127.239 4.040 19229 2331 1 7 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.083 -0.245 19229 2332 1 7 . 1 1 678 678 LEU C C 678 176.718 176.718 177.953 -1.235 19229 2333 1 7 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.499 -0.650 19229 2334 1 7 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.205 0.850 19229 2335 1 7 . 1 1 678 678 LEU H H 678 8.304 8.304 8.091 0.213 19229 2336 1 7 . 1 1 679 679 LYS N N 679 120.707 120.707 119.146 1.561 19229 2337 1 7 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.110 0.225 19229 2338 1 7 . 1 1 679 679 LYS C C 679 176.160 176.160 177.019 -0.859 19229 2339 1 7 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.420 -0.434 19229 2340 1 7 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.623 0.413 19229 2341 1 7 . 1 1 679 679 LYS H H 679 8.752 8.752 8.585 0.167 19229 2342 1 7 . 1 1 680 680 CYS N N 680 118.211 118.211 114.328 3.883 19229 2343 1 7 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.695 -0.229 19229 2344 1 7 . 1 1 680 680 CYS C C 680 176.306 176.306 175.004 1.302 19229 2345 1 7 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.389 1.785 19229 2346 1 7 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.584 3.762 19229 2347 1 7 . 1 1 680 680 CYS H H 680 8.230 8.230 7.570 0.660 19229 2348 1 7 . 1 1 681 681 HIS N N 681 113.392 113.392 119.450 -6.058 19229 2349 1 7 . 1 1 681 681 HIS HA H 681 4.204 4.204 4.049 0.155 19229 2350 1 7 . 1 1 681 681 HIS C C 681 173.478 173.478 172.859 0.619 19229 2351 1 7 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.936 0.054 19229 2352 1 7 . 1 1 681 681 HIS CB C 681 26.556 26.556 26.827 -0.271 19229 2353 1 7 . 1 1 681 681 HIS H H 681 7.149 7.149 7.991 -0.842 19229 2354 1 7 . 1 1 682 682 LEU N N 682 124.066 124.066 121.833 2.233 19229 2355 1 7 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.410 -0.115 19229 2356 1 7 . 1 1 682 682 LEU C C 682 176.670 176.670 174.512 2.158 19229 2357 1 7 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.649 2.578 19229 2358 1 7 . 1 1 682 682 LEU CB C 682 44.035 44.035 44.359 -0.324 19229 2359 1 7 . 1 1 682 682 LEU H H 682 8.172 8.172 7.567 0.605 19229 2360 1 7 . 1 1 683 683 TRP N N 683 124.208 124.208 125.996 -1.788 19229 2361 1 7 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.755 0.336 19229 2362 1 7 . 1 1 683 683 TRP C C 683 174.133 174.133 175.185 -1.052 19229 2363 1 7 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.850 0.873 19229 2364 1 7 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.078 1.736 19229 2365 1 7 . 1 1 683 683 TRP H H 683 8.666 8.666 8.268 0.398 19229 2366 1 7 . 1 1 684 684 GLN N N 684 114.943 114.943 120.697 -5.754 19229 2367 1 7 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.703 -0.738 19229 2368 1 7 . 1 1 684 684 GLN C C 684 176.002 176.002 174.626 1.376 19229 2369 1 7 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.248 0.347 19229 2370 1 7 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.962 -1.207 19229 2371 1 7 . 1 1 684 684 GLN H H 684 8.655 8.655 8.790 -0.135 19229 2372 1 7 . 1 1 685 685 HIS N N 685 121.485 121.485 118.078 3.407 19229 2373 1 7 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.665 0.346 19229 2374 1 7 . 1 1 685 685 HIS C C 685 175.990 175.990 175.322 0.668 19229 2375 1 7 . 1 1 685 685 HIS CA C 685 58.024 58.024 56.385 1.639 19229 2376 1 7 . 1 1 685 685 HIS CB C 685 31.454 31.454 31.737 -0.283 19229 2377 1 7 . 1 1 685 685 HIS H H 685 9.487 9.487 8.165 1.322 19229 2378 1 7 . 1 1 686 686 ALA N N 686 125.728 125.728 127.703 -1.975 19229 2379 1 7 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.176 -0.474 19229 2380 1 7 . 1 1 686 686 ALA C C 686 179.000 179.000 179.566 -0.566 19229 2381 1 7 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.589 -0.430 19229 2382 1 7 . 1 1 686 686 ALA CB C 686 17.858 17.858 18.877 -1.019 19229 2383 1 7 . 1 1 686 686 ALA H H 686 8.436 8.436 8.748 -0.312 19229 2384 1 7 . 1 1 687 687 LYS N N 687 116.216 116.216 118.436 -2.220 19229 2385 1 7 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.205 -0.081 19229 2386 1 7 . 1 1 687 687 LYS C C 687 180.129 180.129 178.084 2.045 19229 2387 1 7 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.413 0.268 19229 2388 1 7 . 1 1 687 687 LYS CB C 687 32.262 32.262 32.151 0.111 19229 2389 1 7 . 1 1 687 687 LYS H H 687 9.407 9.407 7.984 1.423 19229 2390 1 7 . 1 1 688 688 CYS N N 688 117.136 117.136 115.968 1.168 19229 2391 1 7 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.505 -0.576 19229 2392 1 7 . 1 1 688 688 CYS C C 688 176.439 176.439 176.070 0.369 19229 2393 1 7 . 1 1 688 688 CYS CA C 688 62.584 62.584 60.743 1.841 19229 2394 1 7 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.630 3.519 19229 2395 1 7 . 1 1 688 688 CYS H H 688 6.702 6.702 8.229 -1.527 19229 2396 1 7 . 1 1 689 689 VAL N N 689 106.705 106.705 114.916 -8.211 19229 2397 1 7 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.391 0.023 19229 2398 1 7 . 1 1 689 689 VAL C C 689 175.007 175.007 175.025 -0.018 19229 2399 1 7 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.410 -1.250 19229 2400 1 7 . 1 1 689 689 VAL CB C 689 30.924 30.924 32.181 -1.257 19229 2401 1 7 . 1 1 689 689 VAL H H 689 6.932 6.932 7.425 -0.493 19229 2402 1 7 . 1 1 690 690 ASN N N 690 117.807 117.807 119.322 -1.515 19229 2403 1 7 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.396 -0.130 19229 2404 1 7 . 1 1 690 690 ASN C C 690 173.405 173.405 173.597 -0.192 19229 2405 1 7 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.632 -0.485 19229 2406 1 7 . 1 1 690 690 ASN CB C 690 37.094 37.094 37.084 0.011 19229 2407 1 7 . 1 1 690 690 ASN H H 690 7.770 7.770 7.757 0.013 19229 2408 1 7 . 1 1 691 691 TYR N N 691 120.010 120.010 122.036 -2.026 19229 2409 1 7 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.681 -0.241 19229 2410 1 7 . 1 1 691 691 TYR C C 691 174.073 174.073 173.180 0.893 19229 2411 1 7 . 1 1 691 691 TYR CA C 691 57.695 57.695 58.139 -0.444 19229 2412 1 7 . 1 1 691 691 TYR CB C 691 40.575 40.575 41.714 -1.139 19229 2413 1 7 . 1 1 691 691 TYR H H 691 8.271 8.271 7.928 0.343 19229 2414 1 7 . 1 1 692 692 ASP N N 692 126.612 126.612 118.375 8.237 19229 2415 1 7 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.739 -0.374 19229 2416 1 7 . 1 1 692 692 ASP C C 692 175.663 175.663 174.938 0.725 19229 2417 1 7 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.932 -0.098 19229 2418 1 7 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.358 -1.984 19229 2419 1 7 . 1 1 692 692 ASP H H 692 7.799 7.799 7.419 0.380 19229 2420 1 7 . 1 1 693 693 GLU N N 693 125.198 125.198 115.941 9.257 19229 2421 1 7 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.092 -0.168 19229 2422 1 7 . 1 1 693 693 GLU C C 693 177.119 177.119 178.436 -1.317 19229 2423 1 7 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.212 -0.024 19229 2424 1 7 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.210 -0.113 19229 2425 1 7 . 1 1 693 693 GLU H H 693 8.792 8.792 8.653 0.139 19229 2426 1 7 . 1 1 694 694 LYS N N 694 120.048 120.048 121.519 -1.471 19229 2427 1 7 . 1 1 694 694 LYS HA H 694 4.070 4.070 3.995 0.075 19229 2428 1 7 . 1 1 694 694 LYS C C 694 177.168 177.168 178.394 -1.226 19229 2429 1 7 . 1 1 694 694 LYS CA C 694 57.554 57.554 59.057 -1.503 19229 2430 1 7 . 1 1 694 694 LYS CB C 694 31.487 31.487 31.933 -0.446 19229 2431 1 7 . 1 1 694 694 LYS H H 694 8.294 8.294 7.847 0.447 19229 2432 1 7 . 1 1 695 695 ASN N N 695 117.271 117.271 116.409 0.862 19229 2433 1 7 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.602 0.008 19229 2434 1 7 . 1 1 695 695 ASN C C 695 175.517 175.517 176.600 -1.083 19229 2435 1 7 . 1 1 695 695 ASN CA C 695 52.975 52.975 54.145 -1.171 19229 2436 1 7 . 1 1 695 695 ASN CB C 695 38.673 38.673 38.790 -0.117 19229 2437 1 7 . 1 1 695 695 ASN H H 695 7.809 7.809 7.994 -0.185 19229 2438 1 7 . 1 1 696 696 LEU N N 696 122.015 122.015 121.876 0.139 19229 2439 1 7 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.255 -0.047 19229 2440 1 7 . 1 1 696 696 LEU C C 696 177.823 177.823 177.577 0.246 19229 2441 1 7 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.109 0.093 19229 2442 1 7 . 1 1 696 696 LEU CB C 696 42.125 42.125 41.866 0.259 19229 2443 1 7 . 1 1 696 696 LEU H H 696 7.764 7.764 7.334 0.430 19229 2444 1 7 . 1 1 697 697 LYS N N 697 116.437 116.437 117.637 -1.200 19229 2445 1 7 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.105 0.032 19229 2446 1 7 . 1 1 697 697 LYS C C 697 176.536 176.536 177.214 -0.678 19229 2447 1 7 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.781 -1.824 19229 2448 1 7 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.650 -0.599 19229 2449 1 7 . 1 1 697 697 LYS H H 697 8.277 8.277 7.764 0.513 19229 2450 1 7 . 1 1 698 698 ILE N N 698 117.807 117.807 113.680 4.127 19229 2451 1 7 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.352 -0.285 19229 2452 1 7 . 1 1 698 698 ILE C C 698 175.700 175.700 176.564 -0.864 19229 2453 1 7 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.207 0.620 19229 2454 1 7 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.399 -0.233 19229 2455 1 7 . 1 1 698 698 ILE H H 698 7.650 7.650 7.372 0.278 19229 2456 1 7 . 1 1 699 699 LYS N N 699 123.286 123.286 122.027 1.259 19229 2457 1 7 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.678 0.077 19229 2458 1 7 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.349 -0.952 19229 2459 1 7 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.181 1.420 19229 2460 1 7 . 1 1 699 699 LYS H H 699 8.121 8.121 8.143 -0.022 19229 2461 1 7 . 1 1 700 700 PRO HA H 700 4.250 4.250 4.142 0.108 19229 2462 1 7 . 1 1 700 700 PRO C C 700 175.213 175.213 175.446 -0.233 19229 2463 1 7 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.167 -0.367 19229 2464 1 7 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.921 0.801 19229 2465 1 7 . 1 1 701 701 PHE N N 701 122.959 122.959 117.132 5.827 19229 2466 1 7 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.356 -0.109 19229 2467 1 7 . 1 1 701 701 PHE C C 701 171.657 171.657 172.998 -1.341 19229 2468 1 7 . 1 1 701 701 PHE CA C 701 58.140 58.140 55.878 2.262 19229 2469 1 7 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.349 -1.901 19229 2470 1 7 . 1 1 701 701 PHE H H 701 8.042 8.042 7.158 0.884 19229 2471 1 7 . 1 1 702 702 TYR N N 702 123.854 123.854 121.208 2.646 19229 2472 1 7 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.721 0.309 19229 2473 1 7 . 1 1 702 702 TYR C C 702 173.915 173.915 175.484 -1.569 19229 2474 1 7 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.762 -1.956 19229 2475 1 7 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.133 -1.064 19229 2476 1 7 . 1 1 702 702 TYR H H 702 6.754 6.754 7.812 -1.058 19229 2477 1 7 . 1 1 703 703 CYS N N 703 124.963 124.963 119.865 5.098 19229 2478 1 7 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.888 -0.635 19229 2479 1 7 . 1 1 703 703 CYS CA C 703 57.300 57.300 55.696 1.604 19229 2480 1 7 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.724 1.227 19229 2481 1 7 . 1 1 703 703 CYS H H 703 9.298 9.298 8.559 0.739 19229 2482 1 7 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.194 -0.147 19229 2483 1 7 . 1 1 704 704 PRO C C 704 178.818 178.818 177.787 1.031 19229 2484 1 7 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.360 0.291 19229 2485 1 7 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.625 0.365 19229 2486 1 7 . 1 1 705 705 HIS N N 705 115.532 115.532 116.471 -0.939 19229 2487 1 7 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.355 -0.073 19229 2488 1 7 . 1 1 705 705 HIS C C 705 177.689 177.689 176.885 0.804 19229 2489 1 7 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.066 -0.420 19229 2490 1 7 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.881 -0.155 19229 2491 1 7 . 1 1 705 705 HIS H H 705 7.843 7.843 8.509 -0.666 19229 2492 1 7 . 1 1 706 706 CYS N N 706 124.314 124.314 118.169 6.145 19229 2493 1 7 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.114 -0.343 19229 2494 1 7 . 1 1 706 706 CYS C C 706 177.204 177.204 177.085 0.119 19229 2495 1 7 . 1 1 706 706 CYS CA C 706 64.247 64.247 62.566 1.681 19229 2496 1 7 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.370 3.073 19229 2497 1 7 . 1 1 706 706 CYS H H 706 8.442 8.442 7.922 0.520 19229 2498 1 7 . 1 1 707 707 LEU N N 707 119.208 119.208 120.978 -1.770 19229 2499 1 7 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.943 -0.193 19229 2500 1 7 . 1 1 707 707 LEU C C 707 178.903 178.903 178.883 0.020 19229 2501 1 7 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.005 -0.803 19229 2502 1 7 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.617 0.366 19229 2503 1 7 . 1 1 707 707 LEU H H 707 8.162 8.162 7.389 0.773 19229 2504 1 7 . 1 1 708 708 VAL N N 708 116.959 116.959 117.895 -0.936 19229 2505 1 7 . 1 1 708 708 VAL HA H 708 3.749 3.749 4.067 -0.318 19229 2506 1 7 . 1 1 708 708 VAL C C 708 176.876 176.876 177.536 -0.660 19229 2507 1 7 . 1 1 708 708 VAL CA C 708 64.077 64.077 64.913 -0.836 19229 2508 1 7 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.583 0.401 19229 2509 1 7 . 1 1 708 708 VAL H H 708 7.161 7.161 7.792 -0.631 19229 2510 1 7 . 1 1 709 709 ALA N N 709 122.758 122.758 122.084 0.674 19229 2511 1 7 . 1 1 709 709 ALA HA H 709 4.113 4.113 3.949 0.164 19229 2512 1 7 . 1 1 709 709 ALA C C 709 177.859 177.859 178.471 -0.612 19229 2513 1 7 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.467 -1.774 19229 2514 1 7 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.703 0.033 19229 2515 1 7 . 1 1 709 709 ALA H H 709 7.408 7.408 7.482 -0.074 19229 2516 1 7 . 1 1 710 710 MET N N 710 117.242 117.242 116.369 0.873 19229 2517 1 7 . 1 1 710 710 MET HA H 710 4.197 4.197 4.237 -0.040 19229 2518 1 7 . 1 1 710 710 MET C C 710 175.832 175.832 176.976 -1.144 19229 2519 1 7 . 1 1 710 710 MET CA C 710 55.557 55.557 56.921 -1.364 19229 2520 1 7 . 1 1 710 710 MET CB C 710 33.440 33.440 32.856 0.584 19229 2521 1 7 . 1 1 710 710 MET H H 710 7.586 7.586 7.505 0.081 19229 2522 1 7 . 1 1 711 711 GLU N N 711 122.546 122.546 119.687 2.859 19229 2523 1 7 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.388 -0.001 19229 2524 1 7 . 1 1 711 711 GLU CA C 711 54.384 54.384 54.388 -0.004 19229 2525 1 7 . 1 1 711 711 GLU CB C 711 29.444 29.444 29.405 0.039 19229 2526 1 7 . 1 1 711 711 GLU H H 711 7.828 7.828 7.544 0.284 19229 2527 1 7 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.457 -0.125 19229 2528 1 7 . 1 1 712 712 PRO C C 712 176.876 176.876 177.066 -0.190 19229 2529 1 7 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.912 0.082 19229 2530 1 7 . 1 1 712 712 PRO CB C 712 31.922 31.922 31.694 0.228 19229 2531 1 7 . 1 1 713 713 VAL N N 713 120.328 120.328 120.939 -0.611 19229 2532 1 7 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.185 -0.192 19229 2533 1 7 . 1 1 713 713 VAL C C 713 176.257 176.257 175.344 0.913 19229 2534 1 7 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.759 -0.626 19229 2535 1 7 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.353 0.262 19229 2536 1 7 . 1 1 713 713 VAL H H 713 8.157 8.157 8.183 -0.026 19229 2537 1 7 . 1 1 714 714 SER N N 714 119.503 119.503 119.367 0.136 19229 2538 1 7 . 1 1 714 714 SER HA H 714 4.440 4.440 4.551 -0.111 19229 2539 1 7 . 1 1 714 714 SER C C 714 174.619 174.619 173.457 1.162 19229 2540 1 7 . 1 1 714 714 SER CA C 714 57.976 57.976 57.598 0.378 19229 2541 1 7 . 1 1 714 714 SER CB C 714 63.816 63.816 65.227 -1.411 19229 2542 1 7 . 1 1 714 714 SER H H 714 8.368 8.368 8.076 0.292 19229 2543 1 7 . 1 1 715 715 THR N N 715 116.281 116.281 117.396 -1.115 19229 2544 1 7 . 1 1 715 715 THR HA H 715 4.261 4.261 4.554 -0.293 19229 2545 1 7 . 1 1 715 715 THR C C 715 173.559 173.559 174.139 -0.580 19229 2546 1 7 . 1 1 715 715 THR CA C 715 61.499 61.499 61.967 -0.468 19229 2547 1 7 . 1 1 715 715 THR CB C 715 69.476 69.476 69.515 -0.039 19229 2548 1 7 . 1 1 715 715 THR H H 715 8.141 8.141 8.354 -0.213 19229 2549 1 8 . 1 1 653 653 ASN N N 653 120.067 120.067 125.886 -5.819 19229 2550 1 8 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.899 -0.311 19229 2551 1 8 . 1 1 653 653 ASN C C 653 175.383 175.383 174.384 0.999 19229 2552 1 8 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.757 -0.563 19229 2553 1 8 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.487 0.326 19229 2554 1 8 . 1 1 653 653 ASN H H 653 8.357 8.357 8.721 -0.364 19229 2555 1 8 . 1 1 654 654 THR N N 654 113.812 113.812 114.255 -0.443 19229 2556 1 8 . 1 1 654 654 THR HA H 654 4.260 4.260 4.748 -0.488 19229 2557 1 8 . 1 1 654 654 THR C C 654 174.825 174.825 174.115 0.710 19229 2558 1 8 . 1 1 654 654 THR CA C 654 61.806 61.806 61.340 0.466 19229 2559 1 8 . 1 1 654 654 THR CB C 654 69.645 69.645 71.032 -1.387 19229 2560 1 8 . 1 1 654 654 THR H H 654 8.040 8.040 7.866 0.174 19229 2561 1 8 . 1 1 655 655 SER N N 655 117.231 117.231 116.439 0.792 19229 2562 1 8 . 1 1 655 655 SER HA H 655 4.367 4.367 4.455 -0.088 19229 2563 1 8 . 1 1 655 655 SER C C 655 174.218 174.218 174.033 0.185 19229 2564 1 8 . 1 1 655 655 SER CA C 655 58.681 58.681 58.436 0.245 19229 2565 1 8 . 1 1 655 655 SER CB C 655 63.586 63.586 63.517 0.069 19229 2566 1 8 . 1 1 655 655 SER H H 655 8.277 8.277 8.508 -0.231 19229 2567 1 8 . 1 1 656 656 ASP N N 656 121.799 121.799 121.901 -0.102 19229 2568 1 8 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.240 0.291 19229 2569 1 8 . 1 1 656 656 ASP C C 656 175.250 175.250 175.626 -0.376 19229 2570 1 8 . 1 1 656 656 ASP CA C 656 54.385 54.385 54.779 -0.394 19229 2571 1 8 . 1 1 656 656 ASP CB C 656 41.069 41.069 40.385 0.684 19229 2572 1 8 . 1 1 656 656 ASP H H 656 8.197 8.197 8.003 0.194 19229 2573 1 8 . 1 1 657 657 TYR N N 657 122.165 122.165 114.949 7.216 19229 2574 1 8 . 1 1 657 657 TYR HA H 657 4.446 4.446 3.989 0.457 19229 2575 1 8 . 1 1 657 657 TYR C C 657 174.607 174.607 174.695 -0.088 19229 2576 1 8 . 1 1 657 657 TYR CA C 657 58.688 58.688 58.396 0.292 19229 2577 1 8 . 1 1 657 657 TYR CB C 657 39.025 39.025 36.288 2.737 19229 2578 1 8 . 1 1 657 657 TYR H H 657 8.023 8.023 8.146 -0.123 19229 2579 1 8 . 1 1 658 658 ARG N N 658 128.309 128.309 122.255 6.054 19229 2580 1 8 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.051 0.326 19229 2581 1 8 . 1 1 658 658 ARG C C 658 172.871 172.871 174.964 -2.093 19229 2582 1 8 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.591 -0.151 19229 2583 1 8 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.995 3.267 19229 2584 1 8 . 1 1 658 658 ARG H H 658 8.637 8.637 7.455 1.182 19229 2585 1 8 . 1 1 659 659 PHE N N 659 125.304 125.304 123.985 1.319 19229 2586 1 8 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.628 0.297 19229 2587 1 8 . 1 1 659 659 PHE C C 659 174.558 174.558 174.441 0.117 19229 2588 1 8 . 1 1 659 659 PHE CA C 659 56.471 56.471 54.554 1.917 19229 2589 1 8 . 1 1 659 659 PHE CB C 659 41.719 41.719 37.772 3.947 19229 2590 1 8 . 1 1 659 659 PHE H H 659 8.551 8.551 7.406 1.145 19229 2591 1 8 . 1 1 660 660 GLU N N 660 128.804 128.804 123.850 4.954 19229 2592 1 8 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.538 -0.584 19229 2593 1 8 . 1 1 660 660 GLU C C 660 172.361 172.361 174.732 -2.371 19229 2594 1 8 . 1 1 660 660 GLU CA C 660 56.471 56.471 54.919 1.552 19229 2595 1 8 . 1 1 660 660 GLU CB C 660 31.644 31.644 33.465 -1.821 19229 2596 1 8 . 1 1 660 660 GLU H H 660 7.833 7.833 8.261 -0.428 19229 2597 1 8 . 1 1 661 661 CYS N N 661 127.001 127.001 124.000 3.001 19229 2598 1 8 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.759 -0.401 19229 2599 1 8 . 1 1 661 661 CYS C C 661 176.221 176.221 177.446 -1.225 19229 2600 1 8 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.666 0.379 19229 2601 1 8 . 1 1 661 661 CYS CB C 661 30.839 30.839 27.637 3.202 19229 2602 1 8 . 1 1 661 661 CYS H H 661 8.356 8.356 8.741 -0.385 19229 2603 1 8 . 1 1 662 662 ILE N N 662 127.765 127.765 124.412 3.353 19229 2604 1 8 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.783 0.345 19229 2605 1 8 . 1 1 662 662 ILE C C 662 176.439 176.439 176.525 -0.086 19229 2606 1 8 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.748 -0.442 19229 2607 1 8 . 1 1 662 662 ILE CB C 662 38.462 38.462 36.952 1.510 19229 2608 1 8 . 1 1 662 662 ILE H H 662 8.075 8.075 8.596 -0.521 19229 2609 1 8 . 1 1 663 663 CYS N N 663 120.000 120.000 117.709 2.291 19229 2610 1 8 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.659 -0.121 19229 2611 1 8 . 1 1 663 663 CYS C C 663 177.046 177.046 176.399 0.647 19229 2612 1 8 . 1 1 663 663 CYS CA C 663 58.892 58.892 59.204 -0.312 19229 2613 1 8 . 1 1 663 663 CYS CB C 663 30.994 30.994 28.131 2.864 19229 2614 1 8 . 1 1 663 663 CYS H H 663 7.661 7.661 8.303 -0.642 19229 2615 1 8 . 1 1 664 664 GLY N N 664 110.372 110.372 112.127 -1.755 19229 2616 1 8 . 1 1 664 664 GLY C C 664 173.818 173.818 174.723 -0.905 19229 2617 1 8 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.264 0.595 19229 2618 1 8 . 1 1 664 664 GLY H H 664 7.855 7.855 8.311 -0.456 19229 2619 1 8 . 1 1 665 665 GLU N N 665 122.002 122.002 120.113 1.889 19229 2620 1 8 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.302 0.051 19229 2621 1 8 . 1 1 665 665 GLU C C 665 175.990 175.990 176.929 -0.939 19229 2622 1 8 . 1 1 665 665 GLU CA C 665 56.286 56.286 58.194 -1.909 19229 2623 1 8 . 1 1 665 665 GLU CB C 665 31.276 31.276 30.584 0.692 19229 2624 1 8 . 1 1 665 665 GLU H H 665 8.276 8.276 8.157 0.119 19229 2625 1 8 . 1 1 666 666 LEU N N 666 122.355 122.355 116.722 5.633 19229 2626 1 8 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.578 -0.229 19229 2627 1 8 . 1 1 666 666 LEU C C 666 176.816 176.816 174.672 2.144 19229 2628 1 8 . 1 1 666 666 LEU CA C 666 54.595 54.595 54.066 0.529 19229 2629 1 8 . 1 1 666 666 LEU CB C 666 42.549 42.549 44.971 -2.422 19229 2630 1 8 . 1 1 666 666 LEU H H 666 8.341 8.341 8.097 0.244 19229 2631 1 8 . 1 1 667 667 ASP N N 667 121.075 121.075 119.204 1.871 19229 2632 1 8 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.711 -0.665 19229 2633 1 8 . 1 1 667 667 ASP C C 667 175.432 175.432 174.424 1.008 19229 2634 1 8 . 1 1 667 667 ASP CA C 667 54.172 54.172 54.033 0.139 19229 2635 1 8 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.462 -0.394 19229 2636 1 8 . 1 1 667 667 ASP H H 667 8.325 8.325 8.460 -0.135 19229 2637 1 8 . 1 1 668 668 GLN N N 668 121.978 121.978 119.221 2.757 19229 2638 1 8 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.562 -0.365 19229 2639 1 8 . 1 1 668 668 GLN C C 668 175.420 175.420 175.391 0.029 19229 2640 1 8 . 1 1 668 668 GLN CA C 668 55.225 55.225 53.957 1.268 19229 2641 1 8 . 1 1 668 668 GLN CB C 668 30.149 30.149 32.447 -2.298 19229 2642 1 8 . 1 1 668 668 GLN H H 668 8.083 8.083 8.428 -0.345 19229 2643 1 8 . 1 1 669 669 ILE N N 669 120.079 120.079 124.598 -4.519 19229 2644 1 8 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.074 -0.196 19229 2645 1 8 . 1 1 669 669 ILE C C 669 175.347 175.347 175.417 -0.070 19229 2646 1 8 . 1 1 669 669 ILE CA C 669 61.499 61.499 62.292 -0.793 19229 2647 1 8 . 1 1 669 669 ILE CB C 669 37.123 37.123 36.345 0.778 19229 2648 1 8 . 1 1 669 669 ILE H H 669 8.155 8.155 8.719 -0.564 19229 2649 1 8 . 1 1 670 670 ASP N N 670 123.410 123.410 126.615 -3.205 19229 2650 1 8 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.657 -0.231 19229 2651 1 8 . 1 1 670 670 ASP C C 670 176.124 176.124 177.343 -1.219 19229 2652 1 8 . 1 1 670 670 ASP CA C 670 53.609 53.609 54.760 -1.151 19229 2653 1 8 . 1 1 670 670 ASP CB C 670 41.139 41.139 41.766 -0.627 19229 2654 1 8 . 1 1 670 670 ASP H H 670 7.992 7.992 8.279 -0.287 19229 2655 1 8 . 1 1 671 671 ARG N N 671 118.285 118.285 120.188 -1.903 19229 2656 1 8 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.520 -0.351 19229 2657 1 8 . 1 1 671 671 ARG C C 671 176.476 176.476 176.857 -0.381 19229 2658 1 8 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.613 -0.575 19229 2659 1 8 . 1 1 671 671 ARG CB C 671 29.552 29.552 31.181 -1.629 19229 2660 1 8 . 1 1 671 671 ARG H H 671 8.274 8.274 8.550 -0.276 19229 2661 1 8 . 1 1 672 672 LYS N N 672 122.196 122.196 119.279 2.917 19229 2662 1 8 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.754 -0.268 19229 2663 1 8 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.295 2.652 19229 2664 1 8 . 1 1 672 672 LYS CB C 672 32.262 32.262 32.896 -0.634 19229 2665 1 8 . 1 1 672 672 LYS H H 672 8.060 8.060 8.127 -0.067 19229 2666 1 8 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.455 -0.057 19229 2667 1 8 . 1 1 673 673 PRO C C 673 177.204 177.204 175.469 1.735 19229 2668 1 8 . 1 1 673 673 PRO CA C 673 63.964 63.964 62.775 1.189 19229 2669 1 8 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.600 -0.062 19229 2670 1 8 . 1 1 674 674 ARG N N 674 123.076 123.076 119.331 3.745 19229 2671 1 8 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.847 0.641 19229 2672 1 8 . 1 1 674 674 ARG C C 674 174.473 174.473 175.090 -0.617 19229 2673 1 8 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.709 0.275 19229 2674 1 8 . 1 1 674 674 ARG CB C 674 35.552 35.552 32.737 2.815 19229 2675 1 8 . 1 1 674 674 ARG H H 674 8.982 8.982 8.328 0.654 19229 2676 1 8 . 1 1 675 675 VAL N N 675 116.941 116.941 120.439 -3.498 19229 2677 1 8 . 1 1 675 675 VAL HA H 675 4.450 4.450 3.927 0.523 19229 2678 1 8 . 1 1 675 675 VAL C C 675 171.342 171.342 175.020 -3.678 19229 2679 1 8 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.845 -1.319 19229 2680 1 8 . 1 1 675 675 VAL CB C 675 35.310 35.310 32.808 2.502 19229 2681 1 8 . 1 1 675 675 VAL H H 675 9.109 9.109 8.643 0.466 19229 2682 1 8 . 1 1 676 676 GLN N N 676 126.293 126.293 124.705 1.588 19229 2683 1 8 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.800 -0.747 19229 2684 1 8 . 1 1 676 676 GLN C C 676 174.910 174.910 175.325 -0.415 19229 2685 1 8 . 1 1 676 676 GLN CA C 676 53.209 53.209 54.251 -1.042 19229 2686 1 8 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.271 1.829 19229 2687 1 8 . 1 1 676 676 GLN H H 676 7.755 7.755 8.528 -0.773 19229 2688 1 8 . 1 1 677 677 CYS N N 677 128.217 128.217 126.208 2.009 19229 2689 1 8 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.658 -0.585 19229 2690 1 8 . 1 1 677 677 CYS C C 677 177.471 177.471 177.019 0.452 19229 2691 1 8 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.757 0.692 19229 2692 1 8 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.701 5.026 19229 2693 1 8 . 1 1 677 677 CYS H H 677 8.366 8.366 8.682 -0.316 19229 2694 1 8 . 1 1 678 678 LEU N N 678 131.279 131.279 124.960 6.319 19229 2695 1 8 . 1 1 678 678 LEU HA H 678 3.838 3.838 3.747 0.091 19229 2696 1 8 . 1 1 678 678 LEU C C 678 176.718 176.718 177.196 -0.478 19229 2697 1 8 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.402 -0.553 19229 2698 1 8 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.373 0.681 19229 2699 1 8 . 1 1 678 678 LEU H H 678 8.304 8.304 8.055 0.249 19229 2700 1 8 . 1 1 679 679 LYS N N 679 120.707 120.707 117.904 2.803 19229 2701 1 8 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.183 0.152 19229 2702 1 8 . 1 1 679 679 LYS C C 679 176.160 176.160 177.432 -1.272 19229 2703 1 8 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.174 -0.188 19229 2704 1 8 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.882 0.155 19229 2705 1 8 . 1 1 679 679 LYS H H 679 8.752 8.752 8.135 0.617 19229 2706 1 8 . 1 1 680 680 CYS N N 680 118.211 118.211 113.179 5.032 19229 2707 1 8 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.882 -0.416 19229 2708 1 8 . 1 1 680 680 CYS C C 680 176.306 176.306 174.732 1.574 19229 2709 1 8 . 1 1 680 680 CYS CA C 680 59.174 59.174 58.000 1.174 19229 2710 1 8 . 1 1 680 680 CYS CB C 680 31.346 31.346 28.703 2.643 19229 2711 1 8 . 1 1 680 680 CYS H H 680 8.230 8.230 7.711 0.519 19229 2712 1 8 . 1 1 681 681 HIS N N 681 113.392 113.392 118.816 -5.424 19229 2713 1 8 . 1 1 681 681 HIS HA H 681 4.204 4.204 4.182 0.022 19229 2714 1 8 . 1 1 681 681 HIS C C 681 173.478 173.478 173.015 0.463 19229 2715 1 8 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.880 0.110 19229 2716 1 8 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.192 -0.636 19229 2717 1 8 . 1 1 681 681 HIS H H 681 7.149 7.149 8.343 -1.194 19229 2718 1 8 . 1 1 682 682 LEU N N 682 124.066 124.066 121.369 2.697 19229 2719 1 8 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.363 -0.068 19229 2720 1 8 . 1 1 682 682 LEU C C 682 176.670 176.670 175.028 1.642 19229 2721 1 8 . 1 1 682 682 LEU CA C 682 56.227 56.227 52.770 3.457 19229 2722 1 8 . 1 1 682 682 LEU CB C 682 44.035 44.035 43.138 0.897 19229 2723 1 8 . 1 1 682 682 LEU H H 682 8.172 8.172 7.331 0.841 19229 2724 1 8 . 1 1 683 683 TRP N N 683 124.208 124.208 125.916 -1.708 19229 2725 1 8 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.756 0.335 19229 2726 1 8 . 1 1 683 683 TRP C C 683 174.133 174.133 175.394 -1.261 19229 2727 1 8 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.781 0.943 19229 2728 1 8 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.637 1.177 19229 2729 1 8 . 1 1 683 683 TRP H H 683 8.666 8.666 8.383 0.283 19229 2730 1 8 . 1 1 684 684 GLN N N 684 114.943 114.943 119.828 -4.885 19229 2731 1 8 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.689 -0.724 19229 2732 1 8 . 1 1 684 684 GLN C C 684 176.002 176.002 174.396 1.606 19229 2733 1 8 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.806 -0.211 19229 2734 1 8 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.962 -1.207 19229 2735 1 8 . 1 1 684 684 GLN H H 684 8.655 8.655 8.873 -0.218 19229 2736 1 8 . 1 1 685 685 HIS N N 685 121.485 121.485 120.463 1.022 19229 2737 1 8 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.676 0.335 19229 2738 1 8 . 1 1 685 685 HIS C C 685 175.990 175.990 175.853 0.137 19229 2739 1 8 . 1 1 685 685 HIS CA C 685 58.024 58.024 57.173 0.850 19229 2740 1 8 . 1 1 685 685 HIS CB C 685 31.454 31.454 30.739 0.715 19229 2741 1 8 . 1 1 685 685 HIS H H 685 9.487 9.487 8.265 1.222 19229 2742 1 8 . 1 1 686 686 ALA N N 686 125.728 125.728 128.776 -3.048 19229 2743 1 8 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.145 -0.443 19229 2744 1 8 . 1 1 686 686 ALA C C 686 179.000 179.000 178.975 0.025 19229 2745 1 8 . 1 1 686 686 ALA CA C 686 55.158 55.158 56.017 -0.860 19229 2746 1 8 . 1 1 686 686 ALA CB C 686 17.858 17.858 19.140 -1.282 19229 2747 1 8 . 1 1 686 686 ALA H H 686 8.436 8.436 8.537 -0.101 19229 2748 1 8 . 1 1 687 687 LYS N N 687 116.216 116.216 117.801 -1.585 19229 2749 1 8 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.320 -0.196 19229 2750 1 8 . 1 1 687 687 LYS C C 687 180.129 180.129 178.450 1.679 19229 2751 1 8 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.358 0.323 19229 2752 1 8 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.870 0.392 19229 2753 1 8 . 1 1 687 687 LYS H H 687 9.407 9.407 8.499 0.908 19229 2754 1 8 . 1 1 688 688 CYS N N 688 117.136 117.136 115.356 1.780 19229 2755 1 8 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.416 -0.487 19229 2756 1 8 . 1 1 688 688 CYS C C 688 176.439 176.439 176.088 0.351 19229 2757 1 8 . 1 1 688 688 CYS CA C 688 62.584 62.584 60.816 1.768 19229 2758 1 8 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.387 3.762 19229 2759 1 8 . 1 1 688 688 CYS H H 688 6.702 6.702 8.316 -1.614 19229 2760 1 8 . 1 1 689 689 VAL N N 689 106.705 106.705 116.542 -9.837 19229 2761 1 8 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.547 -0.133 19229 2762 1 8 . 1 1 689 689 VAL C C 689 175.007 175.007 175.479 -0.472 19229 2763 1 8 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.192 -1.032 19229 2764 1 8 . 1 1 689 689 VAL CB C 689 30.924 30.924 31.939 -1.015 19229 2765 1 8 . 1 1 689 689 VAL H H 689 6.932 6.932 7.552 -0.620 19229 2766 1 8 . 1 1 690 690 ASN N N 690 117.807 117.807 115.634 2.173 19229 2767 1 8 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.368 -0.102 19229 2768 1 8 . 1 1 690 690 ASN C C 690 173.405 173.405 174.879 -1.474 19229 2769 1 8 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.846 -0.699 19229 2770 1 8 . 1 1 690 690 ASN CB C 690 37.094 37.094 36.974 0.120 19229 2771 1 8 . 1 1 690 690 ASN H H 690 7.770 7.770 7.758 0.012 19229 2772 1 8 . 1 1 691 691 TYR N N 691 120.010 120.010 120.286 -0.276 19229 2773 1 8 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.538 -0.098 19229 2774 1 8 . 1 1 691 691 TYR C C 691 174.073 174.073 173.868 0.205 19229 2775 1 8 . 1 1 691 691 TYR CA C 691 57.695 57.695 58.602 -0.907 19229 2776 1 8 . 1 1 691 691 TYR CB C 691 40.575 40.575 40.958 -0.383 19229 2777 1 8 . 1 1 691 691 TYR H H 691 8.271 8.271 8.072 0.199 19229 2778 1 8 . 1 1 692 692 ASP N N 692 126.612 126.612 118.492 8.120 19229 2779 1 8 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.728 -0.363 19229 2780 1 8 . 1 1 692 692 ASP C C 692 175.663 175.663 175.072 0.591 19229 2781 1 8 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.552 0.282 19229 2782 1 8 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.450 -2.076 19229 2783 1 8 . 1 1 692 692 ASP H H 692 7.799 7.799 7.365 0.434 19229 2784 1 8 . 1 1 693 693 GLU N N 693 125.198 125.198 115.979 9.219 19229 2785 1 8 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.094 -0.170 19229 2786 1 8 . 1 1 693 693 GLU C C 693 177.119 177.119 178.191 -1.072 19229 2787 1 8 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.676 -0.488 19229 2788 1 8 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.380 -0.283 19229 2789 1 8 . 1 1 693 693 GLU H H 693 8.792 8.792 8.616 0.176 19229 2790 1 8 . 1 1 694 694 LYS N N 694 120.048 120.048 120.401 -0.353 19229 2791 1 8 . 1 1 694 694 LYS HA H 694 4.070 4.070 3.968 0.102 19229 2792 1 8 . 1 1 694 694 LYS C C 694 177.168 177.168 178.636 -1.468 19229 2793 1 8 . 1 1 694 694 LYS CA C 694 57.554 57.554 59.132 -1.578 19229 2794 1 8 . 1 1 694 694 LYS CB C 694 31.487 31.487 31.980 -0.493 19229 2795 1 8 . 1 1 694 694 LYS H H 694 8.294 8.294 7.883 0.411 19229 2796 1 8 . 1 1 695 695 ASN N N 695 117.271 117.271 115.466 1.805 19229 2797 1 8 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.623 -0.013 19229 2798 1 8 . 1 1 695 695 ASN C C 695 175.517 175.517 176.653 -1.136 19229 2799 1 8 . 1 1 695 695 ASN CA C 695 52.975 52.975 54.041 -1.066 19229 2800 1 8 . 1 1 695 695 ASN CB C 695 38.673 38.673 38.639 0.034 19229 2801 1 8 . 1 1 695 695 ASN H H 695 7.809 7.809 8.002 -0.193 19229 2802 1 8 . 1 1 696 696 LEU N N 696 122.015 122.015 121.576 0.439 19229 2803 1 8 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.327 -0.119 19229 2804 1 8 . 1 1 696 696 LEU C C 696 177.823 177.823 177.454 0.369 19229 2805 1 8 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.533 -0.331 19229 2806 1 8 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.149 -0.024 19229 2807 1 8 . 1 1 696 696 LEU H H 696 7.764 7.764 7.777 -0.013 19229 2808 1 8 . 1 1 697 697 LYS N N 697 116.437 116.437 116.740 -0.303 19229 2809 1 8 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.201 -0.064 19229 2810 1 8 . 1 1 697 697 LYS C C 697 176.536 176.536 176.486 0.050 19229 2811 1 8 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.029 -1.071 19229 2812 1 8 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.249 -0.198 19229 2813 1 8 . 1 1 697 697 LYS H H 697 8.277 8.277 7.712 0.565 19229 2814 1 8 . 1 1 698 698 ILE N N 698 117.807 117.807 113.491 4.316 19229 2815 1 8 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.357 -0.290 19229 2816 1 8 . 1 1 698 698 ILE C C 698 175.700 175.700 176.333 -0.633 19229 2817 1 8 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.187 0.640 19229 2818 1 8 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.502 -0.336 19229 2819 1 8 . 1 1 698 698 ILE H H 698 7.650 7.650 7.403 0.247 19229 2820 1 8 . 1 1 699 699 LYS N N 699 123.286 123.286 122.036 1.250 19229 2821 1 8 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.705 0.050 19229 2822 1 8 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.209 -0.812 19229 2823 1 8 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.226 1.375 19229 2824 1 8 . 1 1 699 699 LYS H H 699 8.121 8.121 8.107 0.014 19229 2825 1 8 . 1 1 700 700 PRO HA H 700 4.250 4.250 3.949 0.301 19229 2826 1 8 . 1 1 700 700 PRO C C 700 175.213 175.213 175.407 -0.194 19229 2827 1 8 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.172 -0.372 19229 2828 1 8 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.889 0.833 19229 2829 1 8 . 1 1 701 701 PHE N N 701 122.959 122.959 115.812 7.147 19229 2830 1 8 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.417 -0.170 19229 2831 1 8 . 1 1 701 701 PHE C C 701 171.657 171.657 172.764 -1.107 19229 2832 1 8 . 1 1 701 701 PHE CA C 701 58.140 58.140 55.597 2.543 19229 2833 1 8 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.513 -2.065 19229 2834 1 8 . 1 1 701 701 PHE H H 701 8.042 8.042 6.956 1.086 19229 2835 1 8 . 1 1 702 702 TYR N N 702 123.854 123.854 121.060 2.794 19229 2836 1 8 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.765 0.265 19229 2837 1 8 . 1 1 702 702 TYR C C 702 173.915 173.915 175.218 -1.303 19229 2838 1 8 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.645 -1.839 19229 2839 1 8 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.159 -1.090 19229 2840 1 8 . 1 1 702 702 TYR H H 702 6.754 6.754 7.885 -1.131 19229 2841 1 8 . 1 1 703 703 CYS N N 703 124.963 124.963 119.739 5.224 19229 2842 1 8 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.948 -0.695 19229 2843 1 8 . 1 1 703 703 CYS CA C 703 57.300 57.300 55.309 1.991 19229 2844 1 8 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.962 0.989 19229 2845 1 8 . 1 1 703 703 CYS H H 703 9.298 9.298 8.502 0.796 19229 2846 1 8 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.156 -0.109 19229 2847 1 8 . 1 1 704 704 PRO C C 704 178.818 178.818 178.204 0.614 19229 2848 1 8 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.418 0.233 19229 2849 1 8 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.695 0.296 19229 2850 1 8 . 1 1 705 705 HIS N N 705 115.532 115.532 117.518 -1.986 19229 2851 1 8 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.256 0.026 19229 2852 1 8 . 1 1 705 705 HIS C C 705 177.689 177.689 177.274 0.415 19229 2853 1 8 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.676 -1.030 19229 2854 1 8 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.916 -0.190 19229 2855 1 8 . 1 1 705 705 HIS H H 705 7.843 7.843 8.561 -0.718 19229 2856 1 8 . 1 1 706 706 CYS N N 706 124.314 124.314 118.057 6.257 19229 2857 1 8 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.230 -0.459 19229 2858 1 8 . 1 1 706 706 CYS C C 706 177.204 177.204 177.086 0.118 19229 2859 1 8 . 1 1 706 706 CYS CA C 706 64.247 64.247 62.752 1.495 19229 2860 1 8 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.131 3.312 19229 2861 1 8 . 1 1 706 706 CYS H H 706 8.442 8.442 7.973 0.469 19229 2862 1 8 . 1 1 707 707 LEU N N 707 119.208 119.208 121.130 -1.922 19229 2863 1 8 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.901 -0.151 19229 2864 1 8 . 1 1 707 707 LEU C C 707 178.903 178.903 178.953 -0.050 19229 2865 1 8 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.090 -0.888 19229 2866 1 8 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.410 0.573 19229 2867 1 8 . 1 1 707 707 LEU H H 707 8.162 8.162 7.432 0.730 19229 2868 1 8 . 1 1 708 708 VAL N N 708 116.959 116.959 117.558 -0.599 19229 2869 1 8 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.765 -0.017 19229 2870 1 8 . 1 1 708 708 VAL C C 708 176.876 176.876 177.322 -0.446 19229 2871 1 8 . 1 1 708 708 VAL CA C 708 64.077 64.077 64.909 -0.832 19229 2872 1 8 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.186 0.797 19229 2873 1 8 . 1 1 708 708 VAL H H 708 7.161 7.161 8.017 -0.856 19229 2874 1 8 . 1 1 709 709 ALA N N 709 122.758 122.758 120.312 2.446 19229 2875 1 8 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.162 -0.049 19229 2876 1 8 . 1 1 709 709 ALA C C 709 177.859 177.859 178.815 -0.956 19229 2877 1 8 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.055 -1.362 19229 2878 1 8 . 1 1 709 709 ALA CB C 709 18.736 18.736 19.199 -0.463 19229 2879 1 8 . 1 1 709 709 ALA H H 709 7.408 7.408 7.565 -0.157 19229 2880 1 8 . 1 1 710 710 MET N N 710 117.242 117.242 116.987 0.255 19229 2881 1 8 . 1 1 710 710 MET HA H 710 4.197 4.197 4.331 -0.134 19229 2882 1 8 . 1 1 710 710 MET C C 710 175.832 175.832 177.228 -1.396 19229 2883 1 8 . 1 1 710 710 MET CA C 710 55.557 55.557 57.239 -1.682 19229 2884 1 8 . 1 1 710 710 MET CB C 710 33.440 33.440 33.339 0.101 19229 2885 1 8 . 1 1 710 710 MET H H 710 7.586 7.586 7.705 -0.119 19229 2886 1 8 . 1 1 711 711 GLU N N 711 122.546 122.546 119.839 2.707 19229 2887 1 8 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.436 -0.049 19229 2888 1 8 . 1 1 711 711 GLU CA C 711 54.384 54.384 54.555 -0.171 19229 2889 1 8 . 1 1 711 711 GLU CB C 711 29.444 29.444 29.623 -0.179 19229 2890 1 8 . 1 1 711 711 GLU H H 711 7.828 7.828 7.589 0.239 19229 2891 1 8 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.459 -0.127 19229 2892 1 8 . 1 1 712 712 PRO C C 712 176.876 176.876 176.633 0.243 19229 2893 1 8 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.653 0.341 19229 2894 1 8 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.337 -0.415 19229 2895 1 8 . 1 1 713 713 VAL N N 713 120.328 120.328 118.486 1.842 19229 2896 1 8 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.107 -0.114 19229 2897 1 8 . 1 1 713 713 VAL C C 713 176.257 176.257 175.528 0.729 19229 2898 1 8 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.859 -0.726 19229 2899 1 8 . 1 1 713 713 VAL CB C 713 32.615 32.615 30.614 2.001 19229 2900 1 8 . 1 1 713 713 VAL H H 713 8.157 8.157 8.189 -0.032 19229 2901 1 8 . 1 1 714 714 SER N N 714 119.503 119.503 121.269 -1.766 19229 2902 1 8 . 1 1 714 714 SER HA H 714 4.440 4.440 4.672 -0.232 19229 2903 1 8 . 1 1 714 714 SER C C 714 174.619 174.619 174.164 0.455 19229 2904 1 8 . 1 1 714 714 SER CA C 714 57.976 57.976 58.222 -0.246 19229 2905 1 8 . 1 1 714 714 SER CB C 714 63.816 63.816 64.898 -1.082 19229 2906 1 8 . 1 1 714 714 SER H H 714 8.368 8.368 8.021 0.347 19229 2907 1 8 . 1 1 715 715 THR N N 715 116.281 116.281 122.164 -5.883 19229 2908 1 8 . 1 1 715 715 THR HA H 715 4.261 4.261 4.500 -0.239 19229 2909 1 8 . 1 1 715 715 THR C C 715 173.559 173.559 174.439 -0.880 19229 2910 1 8 . 1 1 715 715 THR CA C 715 61.499 61.499 62.614 -1.115 19229 2911 1 8 . 1 1 715 715 THR CB C 715 69.476 69.476 68.969 0.507 19229 2912 1 8 . 1 1 715 715 THR H H 715 8.141 8.141 8.379 -0.238 19229 2913 1 9 . 1 1 653 653 ASN N N 653 120.067 120.067 122.278 -2.211 19229 2914 1 9 . 1 1 653 653 ASN HA H 653 4.588 4.588 5.002 -0.414 19229 2915 1 9 . 1 1 653 653 ASN C C 653 175.383 175.383 175.697 -0.314 19229 2916 1 9 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.145 0.049 19229 2917 1 9 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.719 0.094 19229 2918 1 9 . 1 1 653 653 ASN H H 653 8.357 8.357 8.651 -0.294 19229 2919 1 9 . 1 1 654 654 THR N N 654 113.812 113.812 114.069 -0.257 19229 2920 1 9 . 1 1 654 654 THR HA H 654 4.260 4.260 4.248 0.012 19229 2921 1 9 . 1 1 654 654 THR C C 654 174.825 174.825 174.700 0.125 19229 2922 1 9 . 1 1 654 654 THR CA C 654 61.806 61.806 63.200 -1.394 19229 2923 1 9 . 1 1 654 654 THR CB C 654 69.645 69.645 69.392 0.253 19229 2924 1 9 . 1 1 654 654 THR H H 654 8.040 8.040 8.702 -0.662 19229 2925 1 9 . 1 1 655 655 SER N N 655 117.231 117.231 116.469 0.762 19229 2926 1 9 . 1 1 655 655 SER HA H 655 4.367 4.367 4.533 -0.166 19229 2927 1 9 . 1 1 655 655 SER C C 655 174.218 174.218 172.379 1.839 19229 2928 1 9 . 1 1 655 655 SER CA C 655 58.681 58.681 57.100 1.581 19229 2929 1 9 . 1 1 655 655 SER CB C 655 63.586 63.586 65.379 -1.793 19229 2930 1 9 . 1 1 655 655 SER H H 655 8.277 8.277 7.744 0.533 19229 2931 1 9 . 1 1 656 656 ASP N N 656 121.799 121.799 120.143 1.656 19229 2932 1 9 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.633 -0.102 19229 2933 1 9 . 1 1 656 656 ASP C C 656 175.250 175.250 174.533 0.717 19229 2934 1 9 . 1 1 656 656 ASP CA C 656 54.385 54.385 52.969 1.416 19229 2935 1 9 . 1 1 656 656 ASP CB C 656 41.069 41.069 42.192 -1.123 19229 2936 1 9 . 1 1 656 656 ASP H H 656 8.197 8.197 8.254 -0.057 19229 2937 1 9 . 1 1 657 657 TYR N N 657 122.165 122.165 117.833 4.332 19229 2938 1 9 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.634 -0.188 19229 2939 1 9 . 1 1 657 657 TYR C C 657 174.607 174.607 175.396 -0.789 19229 2940 1 9 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.346 1.342 19229 2941 1 9 . 1 1 657 657 TYR CB C 657 39.025 39.025 40.585 -1.560 19229 2942 1 9 . 1 1 657 657 TYR H H 657 8.023 8.023 8.487 -0.464 19229 2943 1 9 . 1 1 658 658 ARG N N 658 128.309 128.309 123.423 4.886 19229 2944 1 9 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.227 0.150 19229 2945 1 9 . 1 1 658 658 ARG C C 658 172.871 172.871 174.959 -2.088 19229 2946 1 9 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.117 0.323 19229 2947 1 9 . 1 1 658 658 ARG CB C 658 32.262 32.262 29.154 3.108 19229 2948 1 9 . 1 1 658 658 ARG H H 658 8.637 8.637 8.647 -0.010 19229 2949 1 9 . 1 1 659 659 PHE N N 659 125.304 125.304 117.376 7.928 19229 2950 1 9 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.684 0.241 19229 2951 1 9 . 1 1 659 659 PHE C C 659 174.558 174.558 174.602 -0.044 19229 2952 1 9 . 1 1 659 659 PHE CA C 659 56.471 56.471 54.539 1.932 19229 2953 1 9 . 1 1 659 659 PHE CB C 659 41.719 41.719 38.617 3.102 19229 2954 1 9 . 1 1 659 659 PHE H H 659 8.551 8.551 7.676 0.875 19229 2955 1 9 . 1 1 660 660 GLU N N 660 128.804 128.804 119.558 9.246 19229 2956 1 9 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.656 -0.702 19229 2957 1 9 . 1 1 660 660 GLU C C 660 172.361 172.361 176.279 -3.918 19229 2958 1 9 . 1 1 660 660 GLU CA C 660 56.471 56.471 55.218 1.253 19229 2959 1 9 . 1 1 660 660 GLU CB C 660 31.644 31.644 30.212 1.432 19229 2960 1 9 . 1 1 660 660 GLU H H 660 7.833 7.833 7.921 -0.088 19229 2961 1 9 . 1 1 661 661 CYS N N 661 127.001 127.001 121.289 5.712 19229 2962 1 9 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.496 -0.138 19229 2963 1 9 . 1 1 661 661 CYS C C 661 176.221 176.221 177.687 -1.466 19229 2964 1 9 . 1 1 661 661 CYS CA C 661 59.045 59.045 59.052 -0.007 19229 2965 1 9 . 1 1 661 661 CYS CB C 661 30.839 30.839 27.995 2.844 19229 2966 1 9 . 1 1 661 661 CYS H H 661 8.356 8.356 8.696 -0.340 19229 2967 1 9 . 1 1 662 662 ILE N N 662 127.765 127.765 124.743 3.022 19229 2968 1 9 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.910 0.218 19229 2969 1 9 . 1 1 662 662 ILE C C 662 176.439 176.439 176.362 0.077 19229 2970 1 9 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.557 -0.251 19229 2971 1 9 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.066 1.397 19229 2972 1 9 . 1 1 662 662 ILE H H 662 8.075 8.075 8.706 -0.631 19229 2973 1 9 . 1 1 663 663 CYS N N 663 120.000 120.000 115.333 4.667 19229 2974 1 9 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.750 -0.212 19229 2975 1 9 . 1 1 663 663 CYS C C 663 177.046 177.046 176.425 0.621 19229 2976 1 9 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.042 0.850 19229 2977 1 9 . 1 1 663 663 CYS CB C 663 30.994 30.994 28.313 2.681 19229 2978 1 9 . 1 1 663 663 CYS H H 663 7.661 7.661 8.052 -0.391 19229 2979 1 9 . 1 1 664 664 GLY N N 664 110.372 110.372 111.227 -0.855 19229 2980 1 9 . 1 1 664 664 GLY C C 664 173.818 173.818 175.403 -1.585 19229 2981 1 9 . 1 1 664 664 GLY CA C 664 45.859 45.859 46.386 -0.527 19229 2982 1 9 . 1 1 664 664 GLY H H 664 7.855 7.855 8.122 -0.267 19229 2983 1 9 . 1 1 665 665 GLU N N 665 122.002 122.002 119.796 2.206 19229 2984 1 9 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.325 0.028 19229 2985 1 9 . 1 1 665 665 GLU C C 665 175.990 175.990 176.513 -0.523 19229 2986 1 9 . 1 1 665 665 GLU CA C 665 56.286 56.286 57.805 -1.519 19229 2987 1 9 . 1 1 665 665 GLU CB C 665 31.276 31.276 30.659 0.617 19229 2988 1 9 . 1 1 665 665 GLU H H 665 8.276 8.276 7.944 0.332 19229 2989 1 9 . 1 1 666 666 LEU N N 666 122.355 122.355 117.165 5.190 19229 2990 1 9 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.650 -0.301 19229 2991 1 9 . 1 1 666 666 LEU C C 666 176.816 176.816 174.893 1.923 19229 2992 1 9 . 1 1 666 666 LEU CA C 666 54.595 54.595 53.659 0.936 19229 2993 1 9 . 1 1 666 666 LEU CB C 666 42.549 42.549 45.011 -2.462 19229 2994 1 9 . 1 1 666 666 LEU H H 666 8.341 8.341 8.276 0.065 19229 2995 1 9 . 1 1 667 667 ASP N N 667 121.075 121.075 117.316 3.759 19229 2996 1 9 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.484 -0.438 19229 2997 1 9 . 1 1 667 667 ASP C C 667 175.432 175.432 175.186 0.246 19229 2998 1 9 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.706 0.466 19229 2999 1 9 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.721 -0.652 19229 3000 1 9 . 1 1 667 667 ASP H H 667 8.325 8.325 8.486 -0.161 19229 3001 1 9 . 1 1 668 668 GLN N N 668 121.978 121.978 118.842 3.136 19229 3002 1 9 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.601 -0.404 19229 3003 1 9 . 1 1 668 668 GLN C C 668 175.420 175.420 176.165 -0.745 19229 3004 1 9 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.396 0.829 19229 3005 1 9 . 1 1 668 668 GLN CB C 668 30.149 30.149 30.875 -0.727 19229 3006 1 9 . 1 1 668 668 GLN H H 668 8.083 8.083 7.893 0.190 19229 3007 1 9 . 1 1 669 669 ILE N N 669 120.079 120.079 119.795 0.284 19229 3008 1 9 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.037 -0.159 19229 3009 1 9 . 1 1 669 669 ILE C C 669 175.347 175.347 176.379 -1.032 19229 3010 1 9 . 1 1 669 669 ILE CA C 669 61.499 61.499 62.891 -1.392 19229 3011 1 9 . 1 1 669 669 ILE CB C 669 37.123 37.123 38.170 -1.047 19229 3012 1 9 . 1 1 669 669 ILE H H 669 8.155 8.155 8.461 -0.306 19229 3013 1 9 . 1 1 670 670 ASP N N 670 123.410 123.410 119.641 3.769 19229 3014 1 9 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.335 0.091 19229 3015 1 9 . 1 1 670 670 ASP C C 670 176.124 176.124 177.650 -1.526 19229 3016 1 9 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.609 -3.000 19229 3017 1 9 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.798 0.341 19229 3018 1 9 . 1 1 670 670 ASP H H 670 7.992 7.992 8.120 -0.128 19229 3019 1 9 . 1 1 671 671 ARG N N 671 118.285 118.285 118.603 -0.318 19229 3020 1 9 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.378 -0.209 19229 3021 1 9 . 1 1 671 671 ARG C C 671 176.476 176.476 176.468 0.008 19229 3022 1 9 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.707 -0.669 19229 3023 1 9 . 1 1 671 671 ARG CB C 671 29.552 29.552 30.657 -1.105 19229 3024 1 9 . 1 1 671 671 ARG H H 671 8.274 8.274 8.730 -0.456 19229 3025 1 9 . 1 1 672 672 LYS N N 672 122.196 122.196 119.315 2.881 19229 3026 1 9 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.786 -0.300 19229 3027 1 9 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.336 2.611 19229 3028 1 9 . 1 1 672 672 LYS CB C 672 32.262 32.262 31.748 0.514 19229 3029 1 9 . 1 1 672 672 LYS H H 672 8.060 8.060 8.012 0.048 19229 3030 1 9 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.358 0.040 19229 3031 1 9 . 1 1 673 673 PRO C C 673 177.204 177.204 176.210 0.994 19229 3032 1 9 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.104 0.860 19229 3033 1 9 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.248 0.290 19229 3034 1 9 . 1 1 674 674 ARG N N 674 123.076 123.076 118.282 4.794 19229 3035 1 9 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.860 0.628 19229 3036 1 9 . 1 1 674 674 ARG C C 674 174.473 174.473 175.003 -0.530 19229 3037 1 9 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.028 0.956 19229 3038 1 9 . 1 1 674 674 ARG CB C 674 35.552 35.552 33.226 2.326 19229 3039 1 9 . 1 1 674 674 ARG H H 674 8.982 8.982 8.164 0.818 19229 3040 1 9 . 1 1 675 675 VAL N N 675 116.941 116.941 116.249 0.692 19229 3041 1 9 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.214 0.236 19229 3042 1 9 . 1 1 675 675 VAL C C 675 171.342 171.342 175.011 -3.669 19229 3043 1 9 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.581 -1.055 19229 3044 1 9 . 1 1 675 675 VAL CB C 675 35.310 35.310 34.239 1.071 19229 3045 1 9 . 1 1 675 675 VAL H H 675 9.109 9.109 8.609 0.500 19229 3046 1 9 . 1 1 676 676 GLN N N 676 126.293 126.293 125.616 0.677 19229 3047 1 9 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.793 -0.740 19229 3048 1 9 . 1 1 676 676 GLN C C 676 174.910 174.910 175.717 -0.807 19229 3049 1 9 . 1 1 676 676 GLN CA C 676 53.209 53.209 55.783 -2.574 19229 3050 1 9 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.957 1.143 19229 3051 1 9 . 1 1 676 676 GLN H H 676 7.755 7.755 8.641 -0.886 19229 3052 1 9 . 1 1 677 677 CYS N N 677 128.217 128.217 126.786 1.431 19229 3053 1 9 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.804 -0.731 19229 3054 1 9 . 1 1 677 677 CYS C C 677 177.471 177.471 176.703 0.768 19229 3055 1 9 . 1 1 677 677 CYS CA C 677 59.449 59.449 57.916 1.533 19229 3056 1 9 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.553 5.174 19229 3057 1 9 . 1 1 677 677 CYS H H 677 8.366 8.366 8.851 -0.485 19229 3058 1 9 . 1 1 678 678 LEU N N 678 131.279 131.279 127.168 4.111 19229 3059 1 9 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.075 -0.237 19229 3060 1 9 . 1 1 678 678 LEU C C 678 176.718 176.718 177.556 -0.838 19229 3061 1 9 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.214 -0.365 19229 3062 1 9 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.379 0.675 19229 3063 1 9 . 1 1 678 678 LEU H H 678 8.304 8.304 8.014 0.290 19229 3064 1 9 . 1 1 679 679 LYS N N 679 120.707 120.707 117.950 2.757 19229 3065 1 9 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.124 0.211 19229 3066 1 9 . 1 1 679 679 LYS C C 679 176.160 176.160 177.057 -0.897 19229 3067 1 9 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.268 -0.282 19229 3068 1 9 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.667 0.370 19229 3069 1 9 . 1 1 679 679 LYS H H 679 8.752 8.752 8.238 0.514 19229 3070 1 9 . 1 1 680 680 CYS N N 680 118.211 118.211 114.471 3.740 19229 3071 1 9 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.722 -0.256 19229 3072 1 9 . 1 1 680 680 CYS C C 680 176.306 176.306 174.720 1.586 19229 3073 1 9 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.750 1.424 19229 3074 1 9 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.453 3.893 19229 3075 1 9 . 1 1 680 680 CYS H H 680 8.230 8.230 7.756 0.474 19229 3076 1 9 . 1 1 681 681 HIS N N 681 113.392 113.392 116.973 -3.581 19229 3077 1 9 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.864 0.340 19229 3078 1 9 . 1 1 681 681 HIS C C 681 173.478 173.478 173.166 0.312 19229 3079 1 9 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.876 0.114 19229 3080 1 9 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.211 -0.655 19229 3081 1 9 . 1 1 681 681 HIS H H 681 7.149 7.149 8.202 -1.053 19229 3082 1 9 . 1 1 682 682 LEU N N 682 124.066 124.066 121.446 2.620 19229 3083 1 9 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.225 0.070 19229 3084 1 9 . 1 1 682 682 LEU C C 682 176.670 176.670 175.185 1.485 19229 3085 1 9 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.212 3.015 19229 3086 1 9 . 1 1 682 682 LEU CB C 682 44.035 44.035 41.328 2.707 19229 3087 1 9 . 1 1 682 682 LEU H H 682 8.172 8.172 7.339 0.833 19229 3088 1 9 . 1 1 683 683 TRP N N 683 124.208 124.208 127.589 -3.381 19229 3089 1 9 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.880 0.211 19229 3090 1 9 . 1 1 683 683 TRP C C 683 174.133 174.133 175.452 -1.319 19229 3091 1 9 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.968 0.755 19229 3092 1 9 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.518 1.296 19229 3093 1 9 . 1 1 683 683 TRP H H 683 8.666 8.666 8.020 0.646 19229 3094 1 9 . 1 1 684 684 GLN N N 684 114.943 114.943 118.491 -3.548 19229 3095 1 9 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.753 -0.788 19229 3096 1 9 . 1 1 684 684 GLN C C 684 176.002 176.002 174.760 1.242 19229 3097 1 9 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.344 0.251 19229 3098 1 9 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.634 -0.879 19229 3099 1 9 . 1 1 684 684 GLN H H 684 8.655 8.655 8.543 0.112 19229 3100 1 9 . 1 1 685 685 HIS N N 685 121.485 121.485 119.260 2.225 19229 3101 1 9 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.869 0.142 19229 3102 1 9 . 1 1 685 685 HIS C C 685 175.990 175.990 175.884 0.106 19229 3103 1 9 . 1 1 685 685 HIS CA C 685 58.024 58.024 55.767 2.257 19229 3104 1 9 . 1 1 685 685 HIS CB C 685 31.454 31.454 31.119 0.335 19229 3105 1 9 . 1 1 685 685 HIS H H 685 9.487 9.487 8.244 1.243 19229 3106 1 9 . 1 1 686 686 ALA N N 686 125.728 125.728 128.491 -2.763 19229 3107 1 9 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.103 -0.401 19229 3108 1 9 . 1 1 686 686 ALA C C 686 179.000 179.000 178.729 0.271 19229 3109 1 9 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.671 -0.513 19229 3110 1 9 . 1 1 686 686 ALA CB C 686 17.858 17.858 19.016 -1.158 19229 3111 1 9 . 1 1 686 686 ALA H H 686 8.436 8.436 8.796 -0.360 19229 3112 1 9 . 1 1 687 687 LYS N N 687 116.216 116.216 114.086 2.130 19229 3113 1 9 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.506 -0.382 19229 3114 1 9 . 1 1 687 687 LYS C C 687 180.129 180.129 176.464 3.665 19229 3115 1 9 . 1 1 687 687 LYS CA C 687 58.681 58.681 56.501 2.180 19229 3116 1 9 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.009 1.253 19229 3117 1 9 . 1 1 687 687 LYS H H 687 9.407 9.407 8.249 1.158 19229 3118 1 9 . 1 1 688 688 CYS N N 688 117.136 117.136 117.401 -0.265 19229 3119 1 9 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.524 -0.595 19229 3120 1 9 . 1 1 688 688 CYS C C 688 176.439 176.439 175.945 0.494 19229 3121 1 9 . 1 1 688 688 CYS CA C 688 62.584 62.584 59.358 3.226 19229 3122 1 9 . 1 1 688 688 CYS CB C 688 30.149 30.149 28.080 2.069 19229 3123 1 9 . 1 1 688 688 CYS H H 688 6.702 6.702 7.651 -0.949 19229 3124 1 9 . 1 1 689 689 VAL N N 689 106.705 106.705 114.076 -7.371 19229 3125 1 9 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.432 -0.018 19229 3126 1 9 . 1 1 689 689 VAL C C 689 175.007 175.007 174.801 0.206 19229 3127 1 9 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.894 -1.734 19229 3128 1 9 . 1 1 689 689 VAL CB C 689 30.924 30.924 33.278 -2.354 19229 3129 1 9 . 1 1 689 689 VAL H H 689 6.932 6.932 7.404 -0.472 19229 3130 1 9 . 1 1 690 690 ASN N N 690 117.807 117.807 115.736 2.071 19229 3131 1 9 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.470 -0.204 19229 3132 1 9 . 1 1 690 690 ASN C C 690 173.405 173.405 173.816 -0.411 19229 3133 1 9 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.408 -0.261 19229 3134 1 9 . 1 1 690 690 ASN CB C 690 37.094 37.094 36.498 0.597 19229 3135 1 9 . 1 1 690 690 ASN H H 690 7.770 7.770 8.441 -0.671 19229 3136 1 9 . 1 1 691 691 TYR N N 691 120.010 120.010 119.585 0.425 19229 3137 1 9 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.599 -0.159 19229 3138 1 9 . 1 1 691 691 TYR C C 691 174.073 174.073 173.038 1.035 19229 3139 1 9 . 1 1 691 691 TYR CA C 691 57.695 57.695 57.569 0.126 19229 3140 1 9 . 1 1 691 691 TYR CB C 691 40.575 40.575 42.014 -1.438 19229 3141 1 9 . 1 1 691 691 TYR H H 691 8.271 8.271 7.966 0.305 19229 3142 1 9 . 1 1 692 692 ASP N N 692 126.612 126.612 123.952 2.660 19229 3143 1 9 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.906 -0.541 19229 3144 1 9 . 1 1 692 692 ASP C C 692 175.663 175.663 176.314 -0.651 19229 3145 1 9 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.724 0.110 19229 3146 1 9 . 1 1 692 692 ASP CB C 692 41.374 41.374 44.004 -2.630 19229 3147 1 9 . 1 1 692 692 ASP H H 692 7.799 7.799 7.767 0.032 19229 3148 1 9 . 1 1 693 693 GLU N N 693 125.198 125.198 121.851 3.347 19229 3149 1 9 . 1 1 693 693 GLU HA H 693 3.924 3.924 3.980 -0.056 19229 3150 1 9 . 1 1 693 693 GLU C C 693 177.119 177.119 177.653 -0.534 19229 3151 1 9 . 1 1 693 693 GLU CA C 693 58.188 58.188 59.377 -1.189 19229 3152 1 9 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.030 0.067 19229 3153 1 9 . 1 1 693 693 GLU H H 693 8.792 8.792 8.828 -0.036 19229 3154 1 9 . 1 1 694 694 LYS N N 694 120.048 120.048 119.230 0.818 19229 3155 1 9 . 1 1 694 694 LYS HA H 694 4.070 4.070 4.074 -0.004 19229 3156 1 9 . 1 1 694 694 LYS C C 694 177.168 177.168 177.453 -0.285 19229 3157 1 9 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.749 -1.195 19229 3158 1 9 . 1 1 694 694 LYS CB C 694 31.487 31.487 31.800 -0.313 19229 3159 1 9 . 1 1 694 694 LYS H H 694 8.294 8.294 8.606 -0.312 19229 3160 1 9 . 1 1 695 695 ASN N N 695 117.271 117.271 115.147 2.124 19229 3161 1 9 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.700 -0.090 19229 3162 1 9 . 1 1 695 695 ASN C C 695 175.517 175.517 175.901 -0.384 19229 3163 1 9 . 1 1 695 695 ASN CA C 695 52.975 52.975 52.819 0.156 19229 3164 1 9 . 1 1 695 695 ASN CB C 695 38.673 38.673 39.550 -0.877 19229 3165 1 9 . 1 1 695 695 ASN H H 695 7.809 7.809 7.569 0.240 19229 3166 1 9 . 1 1 696 696 LEU N N 696 122.015 122.015 123.803 -1.788 19229 3167 1 9 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.403 -0.195 19229 3168 1 9 . 1 1 696 696 LEU C C 696 177.823 177.823 177.498 0.325 19229 3169 1 9 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.591 -0.389 19229 3170 1 9 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.136 -0.011 19229 3171 1 9 . 1 1 696 696 LEU H H 696 7.764 7.764 7.451 0.313 19229 3172 1 9 . 1 1 697 697 LYS N N 697 116.437 116.437 117.451 -1.014 19229 3173 1 9 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.097 0.040 19229 3174 1 9 . 1 1 697 697 LYS C C 697 176.536 176.536 177.565 -1.029 19229 3175 1 9 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.603 -1.646 19229 3176 1 9 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.536 -0.485 19229 3177 1 9 . 1 1 697 697 LYS H H 697 8.277 8.277 7.682 0.595 19229 3178 1 9 . 1 1 698 698 ILE N N 698 117.807 117.807 112.149 5.658 19229 3179 1 9 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.320 -0.253 19229 3180 1 9 . 1 1 698 698 ILE C C 698 175.700 175.700 176.460 -0.760 19229 3181 1 9 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.337 0.490 19229 3182 1 9 . 1 1 698 698 ILE CB C 698 39.166 39.166 38.883 0.283 19229 3183 1 9 . 1 1 698 698 ILE H H 698 7.650 7.650 7.260 0.390 19229 3184 1 9 . 1 1 699 699 LYS N N 699 123.286 123.286 121.776 1.510 19229 3185 1 9 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.697 0.058 19229 3186 1 9 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.042 -0.645 19229 3187 1 9 . 1 1 699 699 LYS CB C 699 33.601 33.601 31.994 1.607 19229 3188 1 9 . 1 1 699 699 LYS H H 699 8.121 8.121 7.799 0.322 19229 3189 1 9 . 1 1 700 700 PRO HA H 700 4.250 4.250 4.131 0.119 19229 3190 1 9 . 1 1 700 700 PRO C C 700 175.213 175.213 175.630 -0.417 19229 3191 1 9 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.197 -0.397 19229 3192 1 9 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.917 0.805 19229 3193 1 9 . 1 1 701 701 PHE N N 701 122.959 122.959 117.686 5.273 19229 3194 1 9 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.606 -0.359 19229 3195 1 9 . 1 1 701 701 PHE C C 701 171.657 171.657 173.274 -1.617 19229 3196 1 9 . 1 1 701 701 PHE CA C 701 58.140 58.140 55.798 2.342 19229 3197 1 9 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.062 -1.615 19229 3198 1 9 . 1 1 701 701 PHE H H 701 8.042 8.042 7.286 0.756 19229 3199 1 9 . 1 1 702 702 TYR N N 702 123.854 123.854 121.591 2.263 19229 3200 1 9 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.783 0.247 19229 3201 1 9 . 1 1 702 702 TYR C C 702 173.915 173.915 175.467 -1.552 19229 3202 1 9 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.715 -1.909 19229 3203 1 9 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.008 -0.939 19229 3204 1 9 . 1 1 702 702 TYR H H 702 6.754 6.754 7.908 -1.154 19229 3205 1 9 . 1 1 703 703 CYS N N 703 124.963 124.963 119.957 5.006 19229 3206 1 9 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.816 -0.563 19229 3207 1 9 . 1 1 703 703 CYS CA C 703 57.300 57.300 56.237 1.063 19229 3208 1 9 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.685 1.266 19229 3209 1 9 . 1 1 703 703 CYS H H 703 9.298 9.298 8.477 0.821 19229 3210 1 9 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.222 -0.175 19229 3211 1 9 . 1 1 704 704 PRO C C 704 178.818 178.818 178.020 0.798 19229 3212 1 9 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.761 -0.110 19229 3213 1 9 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.725 0.266 19229 3214 1 9 . 1 1 705 705 HIS N N 705 115.532 115.532 117.377 -1.845 19229 3215 1 9 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.342 -0.060 19229 3216 1 9 . 1 1 705 705 HIS C C 705 177.689 177.689 177.030 0.659 19229 3217 1 9 . 1 1 705 705 HIS CA C 705 58.646 58.646 60.093 -1.447 19229 3218 1 9 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.467 0.259 19229 3219 1 9 . 1 1 705 705 HIS H H 705 7.843 7.843 8.446 -0.603 19229 3220 1 9 . 1 1 706 706 CYS N N 706 124.314 124.314 118.209 6.105 19229 3221 1 9 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.081 -0.310 19229 3222 1 9 . 1 1 706 706 CYS C C 706 177.204 177.204 177.033 0.171 19229 3223 1 9 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.339 0.908 19229 3224 1 9 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.096 3.346 19229 3225 1 9 . 1 1 706 706 CYS H H 706 8.442 8.442 7.848 0.594 19229 3226 1 9 . 1 1 707 707 LEU N N 707 119.208 119.208 120.814 -1.606 19229 3227 1 9 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.981 -0.231 19229 3228 1 9 . 1 1 707 707 LEU C C 707 178.903 178.903 178.829 0.074 19229 3229 1 9 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.307 -1.105 19229 3230 1 9 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.576 0.407 19229 3231 1 9 . 1 1 707 707 LEU H H 707 8.162 8.162 7.508 0.654 19229 3232 1 9 . 1 1 708 708 VAL N N 708 116.959 116.959 118.300 -1.341 19229 3233 1 9 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.737 0.012 19229 3234 1 9 . 1 1 708 708 VAL C C 708 176.876 176.876 177.318 -0.442 19229 3235 1 9 . 1 1 708 708 VAL CA C 708 64.077 64.077 65.360 -1.283 19229 3236 1 9 . 1 1 708 708 VAL CB C 708 31.984 31.984 30.794 1.190 19229 3237 1 9 . 1 1 708 708 VAL H H 708 7.161 7.161 8.017 -0.856 19229 3238 1 9 . 1 1 709 709 ALA N N 709 122.758 122.758 122.401 0.357 19229 3239 1 9 . 1 1 709 709 ALA HA H 709 4.113 4.113 3.977 0.136 19229 3240 1 9 . 1 1 709 709 ALA C C 709 177.859 177.859 178.652 -0.793 19229 3241 1 9 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.169 -1.476 19229 3242 1 9 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.921 -0.185 19229 3243 1 9 . 1 1 709 709 ALA H H 709 7.408 7.408 7.622 -0.214 19229 3244 1 9 . 1 1 710 710 MET N N 710 117.242 117.242 117.512 -0.270 19229 3245 1 9 . 1 1 710 710 MET HA H 710 4.197 4.197 4.287 -0.090 19229 3246 1 9 . 1 1 710 710 MET C C 710 175.832 175.832 176.843 -1.011 19229 3247 1 9 . 1 1 710 710 MET CA C 710 55.557 55.557 56.880 -1.323 19229 3248 1 9 . 1 1 710 710 MET CB C 710 33.440 33.440 33.295 0.145 19229 3249 1 9 . 1 1 710 710 MET H H 710 7.586 7.586 7.881 -0.295 19229 3250 1 9 . 1 1 711 711 GLU N N 711 122.546 122.546 116.266 6.280 19229 3251 1 9 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.083 0.304 19229 3252 1 9 . 1 1 711 711 GLU CA C 711 54.384 54.384 56.279 -1.895 19229 3253 1 9 . 1 1 711 711 GLU CB C 711 29.444 29.444 28.528 0.916 19229 3254 1 9 . 1 1 711 711 GLU H H 711 7.828 7.828 7.928 -0.100 19229 3255 1 9 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.493 -0.161 19229 3256 1 9 . 1 1 712 712 PRO C C 712 176.876 176.876 176.727 0.149 19229 3257 1 9 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.628 0.366 19229 3258 1 9 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.265 -0.343 19229 3259 1 9 . 1 1 713 713 VAL N N 713 120.328 120.328 118.102 2.226 19229 3260 1 9 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.248 -0.255 19229 3261 1 9 . 1 1 713 713 VAL C C 713 176.257 176.257 175.610 0.647 19229 3262 1 9 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.138 -0.005 19229 3263 1 9 . 1 1 713 713 VAL CB C 713 32.615 32.615 30.804 1.811 19229 3264 1 9 . 1 1 713 713 VAL H H 713 8.157 8.157 8.222 -0.065 19229 3265 1 9 . 1 1 714 714 SER N N 714 119.503 119.503 122.190 -2.687 19229 3266 1 9 . 1 1 714 714 SER HA H 714 4.440 4.440 4.705 -0.265 19229 3267 1 9 . 1 1 714 714 SER C C 714 174.619 174.619 174.113 0.506 19229 3268 1 9 . 1 1 714 714 SER CA C 714 57.976 57.976 57.229 0.747 19229 3269 1 9 . 1 1 714 714 SER CB C 714 63.816 63.816 63.748 0.069 19229 3270 1 9 . 1 1 714 714 SER H H 714 8.368 8.368 8.129 0.239 19229 3271 1 9 . 1 1 715 715 THR N N 715 116.281 116.281 122.000 -5.719 19229 3272 1 9 . 1 1 715 715 THR HA H 715 4.261 4.261 4.389 -0.128 19229 3273 1 9 . 1 1 715 715 THR C C 715 173.559 173.559 174.224 -0.665 19229 3274 1 9 . 1 1 715 715 THR CA C 715 61.499 61.499 62.856 -1.357 19229 3275 1 9 . 1 1 715 715 THR CB C 715 69.476 69.476 69.374 0.102 19229 3276 1 9 . 1 1 715 715 THR H H 715 8.141 8.141 8.439 -0.298 19229 3277 1 10 . 1 1 653 653 ASN N N 653 120.067 120.067 119.774 0.293 19229 3278 1 10 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.713 -0.125 19229 3279 1 10 . 1 1 653 653 ASN C C 653 175.383 175.383 175.637 -0.254 19229 3280 1 10 . 1 1 653 653 ASN CA C 653 53.194 53.194 54.111 -0.917 19229 3281 1 10 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.857 -0.044 19229 3282 1 10 . 1 1 653 653 ASN H H 653 8.357 8.357 8.299 0.058 19229 3283 1 10 . 1 1 654 654 THR N N 654 113.812 113.812 110.136 3.676 19229 3284 1 10 . 1 1 654 654 THR HA H 654 4.260 4.260 4.437 -0.177 19229 3285 1 10 . 1 1 654 654 THR C C 654 174.825 174.825 173.158 1.667 19229 3286 1 10 . 1 1 654 654 THR CA C 654 61.806 61.806 61.369 0.437 19229 3287 1 10 . 1 1 654 654 THR CB C 654 69.645 69.645 70.237 -0.592 19229 3288 1 10 . 1 1 654 654 THR H H 654 8.040 8.040 7.680 0.360 19229 3289 1 10 . 1 1 655 655 SER N N 655 117.231 117.231 114.537 2.694 19229 3290 1 10 . 1 1 655 655 SER HA H 655 4.367 4.367 4.595 -0.228 19229 3291 1 10 . 1 1 655 655 SER C C 655 174.218 174.218 172.970 1.248 19229 3292 1 10 . 1 1 655 655 SER CA C 655 58.681 58.681 58.262 0.419 19229 3293 1 10 . 1 1 655 655 SER CB C 655 63.586 63.586 64.361 -0.775 19229 3294 1 10 . 1 1 655 655 SER H H 655 8.277 8.277 8.195 0.082 19229 3295 1 10 . 1 1 656 656 ASP N N 656 121.799 121.799 119.052 2.747 19229 3296 1 10 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.536 -0.005 19229 3297 1 10 . 1 1 656 656 ASP C C 656 175.250 175.250 173.560 1.690 19229 3298 1 10 . 1 1 656 656 ASP CA C 656 54.385 54.385 53.803 0.582 19229 3299 1 10 . 1 1 656 656 ASP CB C 656 41.069 41.069 42.088 -1.019 19229 3300 1 10 . 1 1 656 656 ASP H H 656 8.197 8.197 7.666 0.531 19229 3301 1 10 . 1 1 657 657 TYR N N 657 122.165 122.165 116.986 5.179 19229 3302 1 10 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.772 -0.326 19229 3303 1 10 . 1 1 657 657 TYR C C 657 174.607 174.607 175.646 -1.039 19229 3304 1 10 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.637 1.051 19229 3305 1 10 . 1 1 657 657 TYR CB C 657 39.025 39.025 41.034 -2.009 19229 3306 1 10 . 1 1 657 657 TYR H H 657 8.023 8.023 8.418 -0.395 19229 3307 1 10 . 1 1 658 658 ARG N N 658 128.309 128.309 124.023 4.286 19229 3308 1 10 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.275 0.102 19229 3309 1 10 . 1 1 658 658 ARG C C 658 172.871 172.871 175.512 -2.641 19229 3310 1 10 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.292 0.148 19229 3311 1 10 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.607 3.655 19229 3312 1 10 . 1 1 658 658 ARG H H 658 8.637 8.637 8.747 -0.110 19229 3313 1 10 . 1 1 659 659 PHE N N 659 125.304 125.304 120.113 5.191 19229 3314 1 10 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.642 0.283 19229 3315 1 10 . 1 1 659 659 PHE C C 659 174.558 174.558 175.320 -0.762 19229 3316 1 10 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.167 0.304 19229 3317 1 10 . 1 1 659 659 PHE CB C 659 41.719 41.719 38.196 3.523 19229 3318 1 10 . 1 1 659 659 PHE H H 659 8.551 8.551 7.225 1.326 19229 3319 1 10 . 1 1 660 660 GLU N N 660 128.804 128.804 125.269 3.535 19229 3320 1 10 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.544 -0.590 19229 3321 1 10 . 1 1 660 660 GLU C C 660 172.361 172.361 174.816 -2.455 19229 3322 1 10 . 1 1 660 660 GLU CA C 660 56.471 56.471 54.715 1.756 19229 3323 1 10 . 1 1 660 660 GLU CB C 660 31.644 31.644 33.215 -1.571 19229 3324 1 10 . 1 1 660 660 GLU H H 660 7.833 7.833 7.982 -0.149 19229 3325 1 10 . 1 1 661 661 CYS N N 661 127.001 127.001 122.156 4.845 19229 3326 1 10 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.658 -0.300 19229 3327 1 10 . 1 1 661 661 CYS C C 661 176.221 176.221 177.118 -0.897 19229 3328 1 10 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.985 0.060 19229 3329 1 10 . 1 1 661 661 CYS CB C 661 30.839 30.839 29.022 1.817 19229 3330 1 10 . 1 1 661 661 CYS H H 661 8.356 8.356 8.548 -0.192 19229 3331 1 10 . 1 1 662 662 ILE N N 662 127.765 127.765 120.985 6.780 19229 3332 1 10 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.921 0.207 19229 3333 1 10 . 1 1 662 662 ILE C C 662 176.439 176.439 176.275 0.164 19229 3334 1 10 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.591 -0.285 19229 3335 1 10 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.114 1.348 19229 3336 1 10 . 1 1 662 662 ILE H H 662 8.075 8.075 8.598 -0.523 19229 3337 1 10 . 1 1 663 663 CYS N N 663 120.000 120.000 116.058 3.942 19229 3338 1 10 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.787 -0.249 19229 3339 1 10 . 1 1 663 663 CYS C C 663 177.046 177.046 176.427 0.619 19229 3340 1 10 . 1 1 663 663 CYS CA C 663 58.892 58.892 57.505 1.387 19229 3341 1 10 . 1 1 663 663 CYS CB C 663 30.994 30.994 27.913 3.081 19229 3342 1 10 . 1 1 663 663 CYS H H 663 7.661 7.661 7.934 -0.273 19229 3343 1 10 . 1 1 664 664 GLY N N 664 110.372 110.372 110.853 -0.481 19229 3344 1 10 . 1 1 664 664 GLY C C 664 173.818 173.818 174.855 -1.037 19229 3345 1 10 . 1 1 664 664 GLY CA C 664 45.859 45.859 46.024 -0.165 19229 3346 1 10 . 1 1 664 664 GLY H H 664 7.855 7.855 8.040 -0.185 19229 3347 1 10 . 1 1 665 665 GLU N N 665 122.002 122.002 120.518 1.484 19229 3348 1 10 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.590 -0.237 19229 3349 1 10 . 1 1 665 665 GLU C C 665 175.990 175.990 176.684 -0.694 19229 3350 1 10 . 1 1 665 665 GLU CA C 665 56.286 56.286 55.254 1.032 19229 3351 1 10 . 1 1 665 665 GLU CB C 665 31.276 31.276 31.161 0.115 19229 3352 1 10 . 1 1 665 665 GLU H H 665 8.276 8.276 7.579 0.697 19229 3353 1 10 . 1 1 666 666 LEU N N 666 122.355 122.355 122.620 -0.265 19229 3354 1 10 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.343 0.006 19229 3355 1 10 . 1 1 666 666 LEU C C 666 176.816 176.816 177.066 -0.250 19229 3356 1 10 . 1 1 666 666 LEU CA C 666 54.595 54.595 55.467 -0.872 19229 3357 1 10 . 1 1 666 666 LEU CB C 666 42.549 42.549 42.264 0.285 19229 3358 1 10 . 1 1 666 666 LEU H H 666 8.341 8.341 8.463 -0.122 19229 3359 1 10 . 1 1 667 667 ASP N N 667 121.075 121.075 124.109 -3.034 19229 3360 1 10 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.469 -0.423 19229 3361 1 10 . 1 1 667 667 ASP C C 667 175.432 175.432 175.440 -0.008 19229 3362 1 10 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.958 0.214 19229 3363 1 10 . 1 1 667 667 ASP CB C 667 41.069 41.069 39.253 1.816 19229 3364 1 10 . 1 1 667 667 ASP H H 667 8.325 8.325 8.648 -0.323 19229 3365 1 10 . 1 1 668 668 GLN N N 668 121.978 121.978 118.848 3.130 19229 3366 1 10 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.688 -0.491 19229 3367 1 10 . 1 1 668 668 GLN C C 668 175.420 175.420 174.977 0.443 19229 3368 1 10 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.776 0.448 19229 3369 1 10 . 1 1 668 668 GLN CB C 668 30.149 30.149 31.997 -1.848 19229 3370 1 10 . 1 1 668 668 GLN H H 668 8.083 8.083 7.766 0.317 19229 3371 1 10 . 1 1 669 669 ILE N N 669 120.079 120.079 121.388 -1.309 19229 3372 1 10 . 1 1 669 669 ILE HA H 669 3.878 3.878 3.985 -0.107 19229 3373 1 10 . 1 1 669 669 ILE C C 669 175.347 175.347 176.246 -0.899 19229 3374 1 10 . 1 1 669 669 ILE CA C 669 61.499 61.499 62.828 -1.329 19229 3375 1 10 . 1 1 669 669 ILE CB C 669 37.123 37.123 37.797 -0.674 19229 3376 1 10 . 1 1 669 669 ILE H H 669 8.155 8.155 8.694 -0.539 19229 3377 1 10 . 1 1 670 670 ASP N N 670 123.410 123.410 118.578 4.832 19229 3378 1 10 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.409 0.017 19229 3379 1 10 . 1 1 670 670 ASP C C 670 176.124 176.124 176.740 -0.616 19229 3380 1 10 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.475 -2.866 19229 3381 1 10 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.508 0.631 19229 3382 1 10 . 1 1 670 670 ASP H H 670 7.992 7.992 8.226 -0.234 19229 3383 1 10 . 1 1 671 671 ARG N N 671 118.285 118.285 117.755 0.530 19229 3384 1 10 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.540 -0.371 19229 3385 1 10 . 1 1 671 671 ARG C C 671 176.476 176.476 176.490 -0.014 19229 3386 1 10 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.404 -0.366 19229 3387 1 10 . 1 1 671 671 ARG CB C 671 29.552 29.552 31.827 -2.275 19229 3388 1 10 . 1 1 671 671 ARG H H 671 8.274 8.274 7.568 0.706 19229 3389 1 10 . 1 1 672 672 LYS N N 672 122.196 122.196 119.396 2.800 19229 3390 1 10 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.923 -0.437 19229 3391 1 10 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.319 2.628 19229 3392 1 10 . 1 1 672 672 LYS CB C 672 32.262 32.262 32.898 -0.636 19229 3393 1 10 . 1 1 672 672 LYS H H 672 8.060 8.060 7.761 0.299 19229 3394 1 10 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.369 0.029 19229 3395 1 10 . 1 1 673 673 PRO C C 673 177.204 177.204 175.948 1.256 19229 3396 1 10 . 1 1 673 673 PRO CA C 673 63.964 63.964 62.891 1.073 19229 3397 1 10 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.057 0.481 19229 3398 1 10 . 1 1 674 674 ARG N N 674 123.076 123.076 120.781 2.295 19229 3399 1 10 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.746 0.742 19229 3400 1 10 . 1 1 674 674 ARG C C 674 174.473 174.473 175.062 -0.589 19229 3401 1 10 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.431 0.553 19229 3402 1 10 . 1 1 674 674 ARG CB C 674 35.552 35.552 32.279 3.273 19229 3403 1 10 . 1 1 674 674 ARG H H 674 8.982 8.982 8.269 0.713 19229 3404 1 10 . 1 1 675 675 VAL N N 675 116.941 116.941 119.110 -2.169 19229 3405 1 10 . 1 1 675 675 VAL HA H 675 4.450 4.450 3.804 0.646 19229 3406 1 10 . 1 1 675 675 VAL C C 675 171.342 171.342 175.293 -3.951 19229 3407 1 10 . 1 1 675 675 VAL CA C 675 59.526 59.526 61.159 -1.633 19229 3408 1 10 . 1 1 675 675 VAL CB C 675 35.310 35.310 32.604 2.706 19229 3409 1 10 . 1 1 675 675 VAL H H 675 9.109 9.109 8.473 0.636 19229 3410 1 10 . 1 1 676 676 GLN N N 676 126.293 126.293 125.029 1.264 19229 3411 1 10 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.756 -0.703 19229 3412 1 10 . 1 1 676 676 GLN C C 676 174.910 174.910 175.479 -0.569 19229 3413 1 10 . 1 1 676 676 GLN CA C 676 53.209 53.209 54.594 -1.385 19229 3414 1 10 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.199 1.901 19229 3415 1 10 . 1 1 676 676 GLN H H 676 7.755 7.755 8.463 -0.708 19229 3416 1 10 . 1 1 677 677 CYS N N 677 128.217 128.217 126.171 2.046 19229 3417 1 10 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.667 -0.594 19229 3418 1 10 . 1 1 677 677 CYS C C 677 177.471 177.471 177.045 0.426 19229 3419 1 10 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.972 0.477 19229 3420 1 10 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.879 4.848 19229 3421 1 10 . 1 1 677 677 CYS H H 677 8.366 8.366 8.696 -0.330 19229 3422 1 10 . 1 1 678 678 LEU N N 678 131.279 131.279 127.209 4.070 19229 3423 1 10 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.331 -0.493 19229 3424 1 10 . 1 1 678 678 LEU C C 678 176.718 176.718 177.497 -0.779 19229 3425 1 10 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.520 -0.671 19229 3426 1 10 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.303 0.751 19229 3427 1 10 . 1 1 678 678 LEU H H 678 8.304 8.304 8.318 -0.014 19229 3428 1 10 . 1 1 679 679 LYS N N 679 120.707 120.707 119.335 1.372 19229 3429 1 10 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.184 0.151 19229 3430 1 10 . 1 1 679 679 LYS C C 679 176.160 176.160 176.819 -0.659 19229 3431 1 10 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.117 -0.131 19229 3432 1 10 . 1 1 679 679 LYS CB C 679 33.037 33.037 33.280 -0.243 19229 3433 1 10 . 1 1 679 679 LYS H H 679 8.752 8.752 8.496 0.256 19229 3434 1 10 . 1 1 680 680 CYS N N 680 118.211 118.211 113.475 4.736 19229 3435 1 10 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.651 -0.185 19229 3436 1 10 . 1 1 680 680 CYS C C 680 176.306 176.306 174.513 1.793 19229 3437 1 10 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.663 1.511 19229 3438 1 10 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.954 3.392 19229 3439 1 10 . 1 1 680 680 CYS H H 680 8.230 8.230 7.600 0.630 19229 3440 1 10 . 1 1 681 681 HIS N N 681 113.392 113.392 117.585 -4.193 19229 3441 1 10 . 1 1 681 681 HIS HA H 681 4.204 4.204 4.012 0.192 19229 3442 1 10 . 1 1 681 681 HIS C C 681 173.478 173.478 173.084 0.394 19229 3443 1 10 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.250 0.740 19229 3444 1 10 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.273 -0.717 19229 3445 1 10 . 1 1 681 681 HIS H H 681 7.149 7.149 8.059 -0.910 19229 3446 1 10 . 1 1 682 682 LEU N N 682 124.066 124.066 120.675 3.391 19229 3447 1 10 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.353 -0.058 19229 3448 1 10 . 1 1 682 682 LEU C C 682 176.670 176.670 175.076 1.594 19229 3449 1 10 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.027 3.200 19229 3450 1 10 . 1 1 682 682 LEU CB C 682 44.035 44.035 43.502 0.533 19229 3451 1 10 . 1 1 682 682 LEU H H 682 8.172 8.172 7.255 0.917 19229 3452 1 10 . 1 1 683 683 TRP N N 683 124.208 124.208 125.717 -1.509 19229 3453 1 10 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.768 0.323 19229 3454 1 10 . 1 1 683 683 TRP C C 683 174.133 174.133 175.251 -1.118 19229 3455 1 10 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.572 1.151 19229 3456 1 10 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.518 1.296 19229 3457 1 10 . 1 1 683 683 TRP H H 683 8.666 8.666 8.311 0.355 19229 3458 1 10 . 1 1 684 684 GLN N N 684 114.943 114.943 120.192 -5.249 19229 3459 1 10 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.797 -0.832 19229 3460 1 10 . 1 1 684 684 GLN C C 684 176.002 176.002 174.418 1.584 19229 3461 1 10 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.242 0.353 19229 3462 1 10 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.818 -1.063 19229 3463 1 10 . 1 1 684 684 GLN H H 684 8.655 8.655 8.688 -0.033 19229 3464 1 10 . 1 1 685 685 HIS N N 685 121.485 121.485 120.106 1.379 19229 3465 1 10 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.617 0.394 19229 3466 1 10 . 1 1 685 685 HIS C C 685 175.990 175.990 175.697 0.293 19229 3467 1 10 . 1 1 685 685 HIS CA C 685 58.024 58.024 57.955 0.069 19229 3468 1 10 . 1 1 685 685 HIS CB C 685 31.454 31.454 30.695 0.759 19229 3469 1 10 . 1 1 685 685 HIS H H 685 9.487 9.487 8.208 1.279 19229 3470 1 10 . 1 1 686 686 ALA N N 686 125.728 125.728 128.328 -2.600 19229 3471 1 10 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.078 -0.376 19229 3472 1 10 . 1 1 686 686 ALA C C 686 179.000 179.000 179.522 -0.522 19229 3473 1 10 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.803 -0.645 19229 3474 1 10 . 1 1 686 686 ALA CB C 686 17.858 17.858 18.949 -1.091 19229 3475 1 10 . 1 1 686 686 ALA H H 686 8.436 8.436 8.600 -0.164 19229 3476 1 10 . 1 1 687 687 LYS N N 687 116.216 116.216 118.706 -2.490 19229 3477 1 10 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.308 -0.184 19229 3478 1 10 . 1 1 687 687 LYS C C 687 180.129 180.129 178.906 1.223 19229 3479 1 10 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.536 0.145 19229 3480 1 10 . 1 1 687 687 LYS CB C 687 32.262 32.262 32.011 0.251 19229 3481 1 10 . 1 1 687 687 LYS H H 687 9.407 9.407 8.587 0.820 19229 3482 1 10 . 1 1 688 688 CYS N N 688 117.136 117.136 115.967 1.169 19229 3483 1 10 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.487 -0.558 19229 3484 1 10 . 1 1 688 688 CYS C C 688 176.439 176.439 176.077 0.362 19229 3485 1 10 . 1 1 688 688 CYS CA C 688 62.584 62.584 61.122 1.462 19229 3486 1 10 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.186 3.963 19229 3487 1 10 . 1 1 688 688 CYS H H 688 6.702 6.702 8.234 -1.532 19229 3488 1 10 . 1 1 689 689 VAL N N 689 106.705 106.705 114.910 -8.205 19229 3489 1 10 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.398 0.016 19229 3490 1 10 . 1 1 689 689 VAL C C 689 175.007 175.007 174.845 0.162 19229 3491 1 10 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.214 -1.054 19229 3492 1 10 . 1 1 689 689 VAL CB C 689 30.924 30.924 32.131 -1.207 19229 3493 1 10 . 1 1 689 689 VAL H H 689 6.932 6.932 7.366 -0.434 19229 3494 1 10 . 1 1 690 690 ASN N N 690 117.807 117.807 116.812 0.995 19229 3495 1 10 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.411 -0.145 19229 3496 1 10 . 1 1 690 690 ASN C C 690 173.405 173.405 173.693 -0.288 19229 3497 1 10 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.819 -0.672 19229 3498 1 10 . 1 1 690 690 ASN CB C 690 37.094 37.094 36.990 0.104 19229 3499 1 10 . 1 1 690 690 ASN H H 690 7.770 7.770 7.661 0.109 19229 3500 1 10 . 1 1 691 691 TYR N N 691 120.010 120.010 119.769 0.241 19229 3501 1 10 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.559 -0.119 19229 3502 1 10 . 1 1 691 691 TYR C C 691 174.073 174.073 173.044 1.029 19229 3503 1 10 . 1 1 691 691 TYR CA C 691 57.695 57.695 57.589 0.106 19229 3504 1 10 . 1 1 691 691 TYR CB C 691 40.575 40.575 42.073 -1.498 19229 3505 1 10 . 1 1 691 691 TYR H H 691 8.271 8.271 7.695 0.576 19229 3506 1 10 . 1 1 692 692 ASP N N 692 126.612 126.612 119.883 6.729 19229 3507 1 10 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.782 -0.417 19229 3508 1 10 . 1 1 692 692 ASP C C 692 175.663 175.663 176.305 -0.642 19229 3509 1 10 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.284 0.550 19229 3510 1 10 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.590 -2.216 19229 3511 1 10 . 1 1 692 692 ASP H H 692 7.799 7.799 7.837 -0.038 19229 3512 1 10 . 1 1 693 693 GLU N N 693 125.198 125.198 122.038 3.160 19229 3513 1 10 . 1 1 693 693 GLU HA H 693 3.924 3.924 3.995 -0.071 19229 3514 1 10 . 1 1 693 693 GLU C C 693 177.119 177.119 178.003 -0.884 19229 3515 1 10 . 1 1 693 693 GLU CA C 693 58.188 58.188 59.276 -1.087 19229 3516 1 10 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.313 -0.216 19229 3517 1 10 . 1 1 693 693 GLU H H 693 8.792 8.792 8.883 -0.091 19229 3518 1 10 . 1 1 694 694 LYS N N 694 120.048 120.048 119.414 0.634 19229 3519 1 10 . 1 1 694 694 LYS HA H 694 4.070 4.070 4.001 0.069 19229 3520 1 10 . 1 1 694 694 LYS C C 694 177.168 177.168 178.225 -1.057 19229 3521 1 10 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.948 -1.394 19229 3522 1 10 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.146 -0.659 19229 3523 1 10 . 1 1 694 694 LYS H H 694 8.294 8.294 7.868 0.426 19229 3524 1 10 . 1 1 695 695 ASN N N 695 117.271 117.271 114.762 2.509 19229 3525 1 10 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.749 -0.139 19229 3526 1 10 . 1 1 695 695 ASN C C 695 175.517 175.517 176.092 -0.575 19229 3527 1 10 . 1 1 695 695 ASN CA C 695 52.975 52.975 53.101 -0.126 19229 3528 1 10 . 1 1 695 695 ASN CB C 695 38.673 38.673 39.286 -0.613 19229 3529 1 10 . 1 1 695 695 ASN H H 695 7.809 7.809 7.743 0.066 19229 3530 1 10 . 1 1 696 696 LEU N N 696 122.015 122.015 122.486 -0.471 19229 3531 1 10 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.485 -0.277 19229 3532 1 10 . 1 1 696 696 LEU C C 696 177.823 177.823 177.562 0.261 19229 3533 1 10 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.627 -0.425 19229 3534 1 10 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.220 -0.095 19229 3535 1 10 . 1 1 696 696 LEU H H 696 7.764 7.764 7.379 0.385 19229 3536 1 10 . 1 1 697 697 LYS N N 697 116.437 116.437 116.942 -0.505 19229 3537 1 10 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.278 -0.141 19229 3538 1 10 . 1 1 697 697 LYS C C 697 176.536 176.536 176.357 0.179 19229 3539 1 10 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.070 -1.113 19229 3540 1 10 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.103 -0.052 19229 3541 1 10 . 1 1 697 697 LYS H H 697 8.277 8.277 7.735 0.542 19229 3542 1 10 . 1 1 698 698 ILE N N 698 117.807 117.807 117.522 0.285 19229 3543 1 10 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.194 -0.127 19229 3544 1 10 . 1 1 698 698 ILE C C 698 175.700 175.700 176.460 -0.760 19229 3545 1 10 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.694 0.133 19229 3546 1 10 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.793 -0.627 19229 3547 1 10 . 1 1 698 698 ILE H H 698 7.650 7.650 7.587 0.063 19229 3548 1 10 . 1 1 699 699 LYS N N 699 123.286 123.286 120.945 2.341 19229 3549 1 10 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.779 -0.024 19229 3550 1 10 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.161 -0.764 19229 3551 1 10 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.273 1.328 19229 3552 1 10 . 1 1 699 699 LYS H H 699 8.121 8.121 8.028 0.093 19229 3553 1 10 . 1 1 700 700 PRO HA H 700 4.250 4.250 4.025 0.225 19229 3554 1 10 . 1 1 700 700 PRO C C 700 175.213 175.213 175.695 -0.482 19229 3555 1 10 . 1 1 700 700 PRO CA C 700 62.800 62.800 62.527 0.273 19229 3556 1 10 . 1 1 700 700 PRO CB C 700 32.722 32.722 32.166 0.556 19229 3557 1 10 . 1 1 701 701 PHE N N 701 122.959 122.959 115.459 7.500 19229 3558 1 10 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.566 -0.319 19229 3559 1 10 . 1 1 701 701 PHE C C 701 171.657 171.657 172.698 -1.041 19229 3560 1 10 . 1 1 701 701 PHE CA C 701 58.140 58.140 56.691 1.449 19229 3561 1 10 . 1 1 701 701 PHE CB C 701 39.448 39.448 40.447 -0.999 19229 3562 1 10 . 1 1 701 701 PHE H H 701 8.042 8.042 7.153 0.889 19229 3563 1 10 . 1 1 702 702 TYR N N 702 123.854 123.854 121.053 2.801 19229 3564 1 10 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.846 0.184 19229 3565 1 10 . 1 1 702 702 TYR C C 702 173.915 173.915 175.897 -1.982 19229 3566 1 10 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.687 -1.881 19229 3567 1 10 . 1 1 702 702 TYR CB C 702 41.069 41.069 41.621 -0.552 19229 3568 1 10 . 1 1 702 702 TYR H H 702 6.754 6.754 8.017 -1.263 19229 3569 1 10 . 1 1 703 703 CYS N N 703 124.963 124.963 120.846 4.117 19229 3570 1 10 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.774 -0.521 19229 3571 1 10 . 1 1 703 703 CYS CA C 703 57.300 57.300 56.497 0.803 19229 3572 1 10 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.521 1.430 19229 3573 1 10 . 1 1 703 703 CYS H H 703 9.298 9.298 8.540 0.758 19229 3574 1 10 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.215 -0.168 19229 3575 1 10 . 1 1 704 704 PRO C C 704 178.818 178.818 177.963 0.855 19229 3576 1 10 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.541 0.110 19229 3577 1 10 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.605 0.386 19229 3578 1 10 . 1 1 705 705 HIS N N 705 115.532 115.532 117.494 -1.962 19229 3579 1 10 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.403 -0.121 19229 3580 1 10 . 1 1 705 705 HIS C C 705 177.689 177.689 176.868 0.821 19229 3581 1 10 . 1 1 705 705 HIS CA C 705 58.646 58.646 60.208 -1.562 19229 3582 1 10 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.670 0.056 19229 3583 1 10 . 1 1 705 705 HIS H H 705 7.843 7.843 8.394 -0.551 19229 3584 1 10 . 1 1 706 706 CYS N N 706 124.314 124.314 118.277 6.037 19229 3585 1 10 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.216 -0.446 19229 3586 1 10 . 1 1 706 706 CYS C C 706 177.204 177.204 176.939 0.265 19229 3587 1 10 . 1 1 706 706 CYS CA C 706 64.247 64.247 62.801 1.446 19229 3588 1 10 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.094 3.349 19229 3589 1 10 . 1 1 706 706 CYS H H 706 8.442 8.442 8.042 0.400 19229 3590 1 10 . 1 1 707 707 LEU N N 707 119.208 119.208 121.286 -2.078 19229 3591 1 10 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.943 -0.193 19229 3592 1 10 . 1 1 707 707 LEU C C 707 178.903 178.903 178.596 0.307 19229 3593 1 10 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.022 -0.820 19229 3594 1 10 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.521 0.462 19229 3595 1 10 . 1 1 707 707 LEU H H 707 8.162 8.162 7.408 0.754 19229 3596 1 10 . 1 1 708 708 VAL N N 708 116.959 116.959 117.676 -0.717 19229 3597 1 10 . 1 1 708 708 VAL HA H 708 3.749 3.749 4.031 -0.282 19229 3598 1 10 . 1 1 708 708 VAL C C 708 176.876 176.876 177.636 -0.760 19229 3599 1 10 . 1 1 708 708 VAL CA C 708 64.077 64.077 64.619 -0.542 19229 3600 1 10 . 1 1 708 708 VAL CB C 708 31.984 31.984 30.738 1.246 19229 3601 1 10 . 1 1 708 708 VAL H H 708 7.161 7.161 7.742 -0.581 19229 3602 1 10 . 1 1 709 709 ALA N N 709 122.758 122.758 122.779 -0.021 19229 3603 1 10 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.075 0.038 19229 3604 1 10 . 1 1 709 709 ALA C C 709 177.859 177.859 178.703 -0.844 19229 3605 1 10 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.226 -1.533 19229 3606 1 10 . 1 1 709 709 ALA CB C 709 18.736 18.736 19.012 -0.276 19229 3607 1 10 . 1 1 709 709 ALA H H 709 7.408 7.408 7.545 -0.137 19229 3608 1 10 . 1 1 710 710 MET N N 710 117.242 117.242 117.121 0.121 19229 3609 1 10 . 1 1 710 710 MET HA H 710 4.197 4.197 4.246 -0.049 19229 3610 1 10 . 1 1 710 710 MET C C 710 175.832 175.832 176.714 -0.882 19229 3611 1 10 . 1 1 710 710 MET CA C 710 55.557 55.557 57.152 -1.595 19229 3612 1 10 . 1 1 710 710 MET CB C 710 33.440 33.440 33.447 -0.007 19229 3613 1 10 . 1 1 710 710 MET H H 710 7.586 7.586 7.621 -0.035 19229 3614 1 10 . 1 1 711 711 GLU N N 711 122.546 122.546 115.467 7.079 19229 3615 1 10 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.116 0.271 19229 3616 1 10 . 1 1 711 711 GLU CA C 711 54.384 54.384 56.689 -2.305 19229 3617 1 10 . 1 1 711 711 GLU CB C 711 29.444 29.444 28.662 0.782 19229 3618 1 10 . 1 1 711 711 GLU H H 711 7.828 7.828 7.770 0.058 19229 3619 1 10 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.500 -0.168 19229 3620 1 10 . 1 1 712 712 PRO C C 712 176.876 176.876 176.357 0.519 19229 3621 1 10 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.692 0.302 19229 3622 1 10 . 1 1 712 712 PRO CB C 712 31.922 31.922 31.852 0.070 19229 3623 1 10 . 1 1 713 713 VAL N N 713 120.328 120.328 121.853 -1.525 19229 3624 1 10 . 1 1 713 713 VAL HA H 713 3.993 3.993 3.988 0.005 19229 3625 1 10 . 1 1 713 713 VAL C C 713 176.257 176.257 176.094 0.163 19229 3626 1 10 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.369 -0.236 19229 3627 1 10 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.250 0.365 19229 3628 1 10 . 1 1 713 713 VAL H H 713 8.157 8.157 8.190 -0.033 19229 3629 1 10 . 1 1 714 714 SER N N 714 119.503 119.503 122.665 -3.162 19229 3630 1 10 . 1 1 714 714 SER HA H 714 4.440 4.440 4.442 -0.002 19229 3631 1 10 . 1 1 714 714 SER C C 714 174.619 174.619 174.066 0.553 19229 3632 1 10 . 1 1 714 714 SER CA C 714 57.976 57.976 59.348 -1.372 19229 3633 1 10 . 1 1 714 714 SER CB C 714 63.816 63.816 62.755 1.061 19229 3634 1 10 . 1 1 714 714 SER H H 714 8.368 8.368 8.495 -0.127 19229 3635 1 10 . 1 1 715 715 THR N N 715 116.281 116.281 119.473 -3.192 19229 3636 1 10 . 1 1 715 715 THR HA H 715 4.261 4.261 4.486 -0.225 19229 3637 1 10 . 1 1 715 715 THR C C 715 173.559 173.559 173.398 0.161 19229 3638 1 10 . 1 1 715 715 THR CA C 715 61.499 61.499 61.911 -0.412 19229 3639 1 10 . 1 1 715 715 THR CB C 715 69.476 69.476 70.049 -0.573 19229 3640 1 10 . 1 1 715 715 THR H H 715 8.141 8.141 8.178 -0.037 19229 3641 1 11 . 1 1 653 653 ASN N N 653 120.067 120.067 123.270 -3.203 19229 3642 1 11 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.864 -0.276 19229 3643 1 11 . 1 1 653 653 ASN C C 653 175.383 175.383 174.535 0.848 19229 3644 1 11 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.725 -0.531 19229 3645 1 11 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.745 0.068 19229 3646 1 11 . 1 1 653 653 ASN H H 653 8.357 8.357 8.541 -0.184 19229 3647 1 11 . 1 1 654 654 THR N N 654 113.812 113.812 115.798 -1.986 19229 3648 1 11 . 1 1 654 654 THR HA H 654 4.260 4.260 4.476 -0.216 19229 3649 1 11 . 1 1 654 654 THR C C 654 174.825 174.825 174.011 0.814 19229 3650 1 11 . 1 1 654 654 THR CA C 654 61.806 61.806 62.341 -0.535 19229 3651 1 11 . 1 1 654 654 THR CB C 654 69.645 69.645 69.763 -0.118 19229 3652 1 11 . 1 1 654 654 THR H H 654 8.040 8.040 8.225 -0.185 19229 3653 1 11 . 1 1 655 655 SER N N 655 117.231 117.231 120.440 -3.209 19229 3654 1 11 . 1 1 655 655 SER HA H 655 4.367 4.367 4.457 -0.090 19229 3655 1 11 . 1 1 655 655 SER C C 655 174.218 174.218 173.245 0.973 19229 3656 1 11 . 1 1 655 655 SER CA C 655 58.681 58.681 58.016 0.665 19229 3657 1 11 . 1 1 655 655 SER CB C 655 63.586 63.586 63.455 0.131 19229 3658 1 11 . 1 1 655 655 SER H H 655 8.277 8.277 8.479 -0.202 19229 3659 1 11 . 1 1 656 656 ASP N N 656 121.799 121.799 122.386 -0.587 19229 3660 1 11 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.421 0.110 19229 3661 1 11 . 1 1 656 656 ASP C C 656 175.250 175.250 175.533 -0.283 19229 3662 1 11 . 1 1 656 656 ASP CA C 656 54.385 54.385 54.500 -0.115 19229 3663 1 11 . 1 1 656 656 ASP CB C 656 41.069 41.069 41.552 -0.483 19229 3664 1 11 . 1 1 656 656 ASP H H 656 8.197 8.197 7.418 0.779 19229 3665 1 11 . 1 1 657 657 TYR N N 657 122.165 122.165 122.744 -0.579 19229 3666 1 11 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.507 -0.061 19229 3667 1 11 . 1 1 657 657 TYR C C 657 174.607 174.607 175.540 -0.933 19229 3668 1 11 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.270 1.418 19229 3669 1 11 . 1 1 657 657 TYR CB C 657 39.025 39.025 38.244 0.781 19229 3670 1 11 . 1 1 657 657 TYR H H 657 8.023 8.023 8.667 -0.644 19229 3671 1 11 . 1 1 658 658 ARG N N 658 128.309 128.309 125.576 2.733 19229 3672 1 11 . 1 1 658 658 ARG HA H 658 4.377 4.377 3.981 0.396 19229 3673 1 11 . 1 1 658 658 ARG C C 658 172.871 172.871 175.643 -2.772 19229 3674 1 11 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.479 -0.039 19229 3675 1 11 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.684 3.578 19229 3676 1 11 . 1 1 658 658 ARG H H 658 8.637 8.637 8.400 0.236 19229 3677 1 11 . 1 1 659 659 PHE N N 659 125.304 125.304 121.103 4.201 19229 3678 1 11 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.399 0.526 19229 3679 1 11 . 1 1 659 659 PHE C C 659 174.558 174.558 175.040 -0.482 19229 3680 1 11 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.290 0.181 19229 3681 1 11 . 1 1 659 659 PHE CB C 659 41.719 41.719 36.741 4.978 19229 3682 1 11 . 1 1 659 659 PHE H H 659 8.551 8.551 7.163 1.388 19229 3683 1 11 . 1 1 660 660 GLU N N 660 128.804 128.804 120.443 8.361 19229 3684 1 11 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.638 -0.684 19229 3685 1 11 . 1 1 660 660 GLU C C 660 172.361 172.361 175.070 -2.709 19229 3686 1 11 . 1 1 660 660 GLU CA C 660 56.471 56.471 54.415 2.056 19229 3687 1 11 . 1 1 660 660 GLU CB C 660 31.644 31.644 33.713 -2.069 19229 3688 1 11 . 1 1 660 660 GLU H H 660 7.833 7.833 7.683 0.150 19229 3689 1 11 . 1 1 661 661 CYS N N 661 127.001 127.001 119.749 7.252 19229 3690 1 11 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.717 -0.359 19229 3691 1 11 . 1 1 661 661 CYS C C 661 176.221 176.221 176.655 -0.434 19229 3692 1 11 . 1 1 661 661 CYS CA C 661 59.045 59.045 57.527 1.518 19229 3693 1 11 . 1 1 661 661 CYS CB C 661 30.839 30.839 28.788 2.051 19229 3694 1 11 . 1 1 661 661 CYS H H 661 8.356 8.356 8.615 -0.259 19229 3695 1 11 . 1 1 662 662 ILE N N 662 127.765 127.765 120.774 6.991 19229 3696 1 11 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.849 0.279 19229 3697 1 11 . 1 1 662 662 ILE C C 662 176.439 176.439 176.792 -0.353 19229 3698 1 11 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.741 -0.435 19229 3699 1 11 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.449 1.013 19229 3700 1 11 . 1 1 662 662 ILE H H 662 8.075 8.075 8.556 -0.481 19229 3701 1 11 . 1 1 663 663 CYS N N 663 120.000 120.000 118.442 1.558 19229 3702 1 11 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.714 -0.176 19229 3703 1 11 . 1 1 663 663 CYS C C 663 177.046 177.046 176.301 0.745 19229 3704 1 11 . 1 1 663 663 CYS CA C 663 58.892 58.892 59.016 -0.124 19229 3705 1 11 . 1 1 663 663 CYS CB C 663 30.994 30.994 28.505 2.489 19229 3706 1 11 . 1 1 663 663 CYS H H 663 7.661 7.661 8.234 -0.573 19229 3707 1 11 . 1 1 664 664 GLY N N 664 110.372 110.372 112.205 -1.833 19229 3708 1 11 . 1 1 664 664 GLY C C 664 173.818 173.818 174.497 -0.679 19229 3709 1 11 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.239 0.620 19229 3710 1 11 . 1 1 664 664 GLY H H 664 7.855 7.855 8.271 -0.416 19229 3711 1 11 . 1 1 665 665 GLU N N 665 122.002 122.002 120.077 1.925 19229 3712 1 11 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.389 -0.036 19229 3713 1 11 . 1 1 665 665 GLU C C 665 175.990 175.990 176.713 -0.723 19229 3714 1 11 . 1 1 665 665 GLU CA C 665 56.286 56.286 57.732 -1.446 19229 3715 1 11 . 1 1 665 665 GLU CB C 665 31.276 31.276 30.729 0.547 19229 3716 1 11 . 1 1 665 665 GLU H H 665 8.276 8.276 8.201 0.075 19229 3717 1 11 . 1 1 666 666 LEU N N 666 122.355 122.355 116.447 5.908 19229 3718 1 11 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.539 -0.190 19229 3719 1 11 . 1 1 666 666 LEU C C 666 176.816 176.816 175.110 1.706 19229 3720 1 11 . 1 1 666 666 LEU CA C 666 54.595 54.595 53.710 0.885 19229 3721 1 11 . 1 1 666 666 LEU CB C 666 42.549 42.549 45.634 -3.085 19229 3722 1 11 . 1 1 666 666 LEU H H 666 8.341 8.341 8.245 0.096 19229 3723 1 11 . 1 1 667 667 ASP N N 667 121.075 121.075 116.244 4.831 19229 3724 1 11 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.557 -0.511 19229 3725 1 11 . 1 1 667 667 ASP C C 667 175.432 175.432 175.102 0.330 19229 3726 1 11 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.556 0.616 19229 3727 1 11 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.666 -0.597 19229 3728 1 11 . 1 1 667 667 ASP H H 667 8.325 8.325 8.372 -0.047 19229 3729 1 11 . 1 1 668 668 GLN N N 668 121.978 121.978 118.536 3.442 19229 3730 1 11 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.383 -0.186 19229 3731 1 11 . 1 1 668 668 GLN C C 668 175.420 175.420 176.655 -1.235 19229 3732 1 11 . 1 1 668 668 GLN CA C 668 55.225 55.225 55.236 -0.011 19229 3733 1 11 . 1 1 668 668 GLN CB C 668 30.149 30.149 30.210 -0.061 19229 3734 1 11 . 1 1 668 668 GLN H H 668 8.083 8.083 7.808 0.275 19229 3735 1 11 . 1 1 669 669 ILE N N 669 120.079 120.079 121.921 -1.842 19229 3736 1 11 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.017 -0.139 19229 3737 1 11 . 1 1 669 669 ILE C C 669 175.347 175.347 177.977 -2.630 19229 3738 1 11 . 1 1 669 669 ILE CA C 669 61.499 61.499 64.193 -2.694 19229 3739 1 11 . 1 1 669 669 ILE CB C 669 37.123 37.123 37.867 -0.744 19229 3740 1 11 . 1 1 669 669 ILE H H 669 8.155 8.155 8.423 -0.268 19229 3741 1 11 . 1 1 670 670 ASP N N 670 123.410 123.410 117.651 5.759 19229 3742 1 11 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.245 0.181 19229 3743 1 11 . 1 1 670 670 ASP C C 670 176.124 176.124 177.674 -1.550 19229 3744 1 11 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.686 -3.077 19229 3745 1 11 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.078 1.061 19229 3746 1 11 . 1 1 670 670 ASP H H 670 7.992 7.992 8.241 -0.249 19229 3747 1 11 . 1 1 671 671 ARG N N 671 118.285 118.285 120.487 -2.202 19229 3748 1 11 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.510 -0.341 19229 3749 1 11 . 1 1 671 671 ARG C C 671 176.476 176.476 176.253 0.223 19229 3750 1 11 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.458 -0.420 19229 3751 1 11 . 1 1 671 671 ARG CB C 671 29.552 29.552 31.734 -2.182 19229 3752 1 11 . 1 1 671 671 ARG H H 671 8.274 8.274 8.044 0.230 19229 3753 1 11 . 1 1 672 672 LYS N N 672 122.196 122.196 120.513 1.683 19229 3754 1 11 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.623 -0.137 19229 3755 1 11 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.666 2.281 19229 3756 1 11 . 1 1 672 672 LYS CB C 672 32.262 32.262 31.556 0.706 19229 3757 1 11 . 1 1 672 672 LYS H H 672 8.060 8.060 7.895 0.165 19229 3758 1 11 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.413 -0.015 19229 3759 1 11 . 1 1 673 673 PRO C C 673 177.204 177.204 176.029 1.175 19229 3760 1 11 . 1 1 673 673 PRO CA C 673 63.964 63.964 62.878 1.086 19229 3761 1 11 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.383 0.155 19229 3762 1 11 . 1 1 674 674 ARG N N 674 123.076 123.076 119.812 3.264 19229 3763 1 11 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.766 0.722 19229 3764 1 11 . 1 1 674 674 ARG C C 674 174.473 174.473 174.830 -0.357 19229 3765 1 11 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.158 0.826 19229 3766 1 11 . 1 1 674 674 ARG CB C 674 35.552 35.552 32.517 3.035 19229 3767 1 11 . 1 1 674 674 ARG H H 674 8.982 8.982 8.133 0.849 19229 3768 1 11 . 1 1 675 675 VAL N N 675 116.941 116.941 119.246 -2.305 19229 3769 1 11 . 1 1 675 675 VAL HA H 675 4.450 4.450 3.564 0.886 19229 3770 1 11 . 1 1 675 675 VAL C C 675 171.342 171.342 174.975 -3.633 19229 3771 1 11 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.088 -0.562 19229 3772 1 11 . 1 1 675 675 VAL CB C 675 35.310 35.310 33.000 2.310 19229 3773 1 11 . 1 1 675 675 VAL H H 675 9.109 9.109 8.324 0.785 19229 3774 1 11 . 1 1 676 676 GLN N N 676 126.293 126.293 126.198 0.095 19229 3775 1 11 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.823 -0.770 19229 3776 1 11 . 1 1 676 676 GLN C C 676 174.910 174.910 175.874 -0.964 19229 3777 1 11 . 1 1 676 676 GLN CA C 676 53.209 53.209 55.185 -1.976 19229 3778 1 11 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.231 1.869 19229 3779 1 11 . 1 1 676 676 GLN H H 676 7.755 7.755 8.204 -0.450 19229 3780 1 11 . 1 1 677 677 CYS N N 677 128.217 128.217 125.932 2.285 19229 3781 1 11 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.779 -0.706 19229 3782 1 11 . 1 1 677 677 CYS C C 677 177.471 177.471 176.618 0.853 19229 3783 1 11 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.535 0.914 19229 3784 1 11 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.484 5.243 19229 3785 1 11 . 1 1 677 677 CYS H H 677 8.366 8.366 8.681 -0.315 19229 3786 1 11 . 1 1 678 678 LEU N N 678 131.279 131.279 126.767 4.512 19229 3787 1 11 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.034 -0.196 19229 3788 1 11 . 1 1 678 678 LEU C C 678 176.718 176.718 177.554 -0.836 19229 3789 1 11 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.215 -0.366 19229 3790 1 11 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.411 0.643 19229 3791 1 11 . 1 1 678 678 LEU H H 678 8.304 8.304 8.162 0.142 19229 3792 1 11 . 1 1 679 679 LYS N N 679 120.707 120.707 118.290 2.417 19229 3793 1 11 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.193 0.142 19229 3794 1 11 . 1 1 679 679 LYS C C 679 176.160 176.160 177.004 -0.844 19229 3795 1 11 . 1 1 679 679 LYS CA C 679 57.986 57.986 57.950 0.036 19229 3796 1 11 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.823 0.214 19229 3797 1 11 . 1 1 679 679 LYS H H 679 8.752 8.752 8.261 0.491 19229 3798 1 11 . 1 1 680 680 CYS N N 680 118.211 118.211 113.758 4.453 19229 3799 1 11 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.759 -0.293 19229 3800 1 11 . 1 1 680 680 CYS C C 680 176.306 176.306 174.553 1.753 19229 3801 1 11 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.593 1.581 19229 3802 1 11 . 1 1 680 680 CYS CB C 680 31.346 31.346 28.060 3.286 19229 3803 1 11 . 1 1 680 680 CYS H H 680 8.230 8.230 7.703 0.527 19229 3804 1 11 . 1 1 681 681 HIS N N 681 113.392 113.392 117.674 -4.282 19229 3805 1 11 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.865 0.339 19229 3806 1 11 . 1 1 681 681 HIS C C 681 173.478 173.478 173.045 0.433 19229 3807 1 11 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.776 0.214 19229 3808 1 11 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.188 -0.632 19229 3809 1 11 . 1 1 681 681 HIS H H 681 7.149 7.149 8.148 -0.999 19229 3810 1 11 . 1 1 682 682 LEU N N 682 124.066 124.066 121.136 2.930 19229 3811 1 11 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.282 0.013 19229 3812 1 11 . 1 1 682 682 LEU C C 682 176.670 176.670 175.039 1.631 19229 3813 1 11 . 1 1 682 682 LEU CA C 682 56.227 56.227 52.904 3.323 19229 3814 1 11 . 1 1 682 682 LEU CB C 682 44.035 44.035 42.698 1.337 19229 3815 1 11 . 1 1 682 682 LEU H H 682 8.172 8.172 7.431 0.741 19229 3816 1 11 . 1 1 683 683 TRP N N 683 124.208 124.208 126.733 -2.525 19229 3817 1 11 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.680 0.411 19229 3818 1 11 . 1 1 683 683 TRP C C 683 174.133 174.133 175.093 -0.960 19229 3819 1 11 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.650 1.073 19229 3820 1 11 . 1 1 683 683 TRP CB C 683 31.814 31.814 28.771 3.043 19229 3821 1 11 . 1 1 683 683 TRP H H 683 8.666 8.666 8.464 0.202 19229 3822 1 11 . 1 1 684 684 GLN N N 684 114.943 114.943 120.542 -5.599 19229 3823 1 11 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.613 -0.648 19229 3824 1 11 . 1 1 684 684 GLN C C 684 176.002 176.002 174.949 1.053 19229 3825 1 11 . 1 1 684 684 GLN CA C 684 54.595 54.595 53.636 0.959 19229 3826 1 11 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.449 -0.694 19229 3827 1 11 . 1 1 684 684 GLN H H 684 8.655 8.655 8.321 0.334 19229 3828 1 11 . 1 1 685 685 HIS N N 685 121.485 121.485 117.494 3.991 19229 3829 1 11 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.800 0.211 19229 3830 1 11 . 1 1 685 685 HIS C C 685 175.990 175.990 175.071 0.919 19229 3831 1 11 . 1 1 685 685 HIS CA C 685 58.024 58.024 55.263 2.761 19229 3832 1 11 . 1 1 685 685 HIS CB C 685 31.454 31.454 32.520 -1.066 19229 3833 1 11 . 1 1 685 685 HIS H H 685 9.487 9.487 8.293 1.194 19229 3834 1 11 . 1 1 686 686 ALA N N 686 125.728 125.728 127.111 -1.383 19229 3835 1 11 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.175 -0.473 19229 3836 1 11 . 1 1 686 686 ALA C C 686 179.000 179.000 179.099 -0.099 19229 3837 1 11 . 1 1 686 686 ALA CA C 686 55.158 55.158 56.067 -0.909 19229 3838 1 11 . 1 1 686 686 ALA CB C 686 17.858 17.858 19.115 -1.257 19229 3839 1 11 . 1 1 686 686 ALA H H 686 8.436 8.436 8.717 -0.281 19229 3840 1 11 . 1 1 687 687 LYS N N 687 116.216 116.216 118.704 -2.488 19229 3841 1 11 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.324 -0.200 19229 3842 1 11 . 1 1 687 687 LYS C C 687 180.129 180.129 179.195 0.934 19229 3843 1 11 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.734 -0.053 19229 3844 1 11 . 1 1 687 687 LYS CB C 687 32.262 32.262 32.012 0.250 19229 3845 1 11 . 1 1 687 687 LYS H H 687 9.407 9.407 8.533 0.874 19229 3846 1 11 . 1 1 688 688 CYS N N 688 117.136 117.136 115.831 1.305 19229 3847 1 11 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.368 -0.439 19229 3848 1 11 . 1 1 688 688 CYS C C 688 176.439 176.439 176.206 0.233 19229 3849 1 11 . 1 1 688 688 CYS CA C 688 62.584 62.584 61.360 1.224 19229 3850 1 11 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.332 3.817 19229 3851 1 11 . 1 1 688 688 CYS H H 688 6.702 6.702 8.541 -1.839 19229 3852 1 11 . 1 1 689 689 VAL N N 689 106.705 106.705 115.180 -8.475 19229 3853 1 11 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.474 -0.060 19229 3854 1 11 . 1 1 689 689 VAL C C 689 175.007 175.007 175.285 -0.278 19229 3855 1 11 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.033 -0.873 19229 3856 1 11 . 1 1 689 689 VAL CB C 689 30.924 30.924 32.032 -1.108 19229 3857 1 11 . 1 1 689 689 VAL H H 689 6.932 6.932 7.567 -0.635 19229 3858 1 11 . 1 1 690 690 ASN N N 690 117.807 117.807 115.732 2.075 19229 3859 1 11 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.344 -0.078 19229 3860 1 11 . 1 1 690 690 ASN C C 690 173.405 173.405 174.548 -1.143 19229 3861 1 11 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.797 -0.650 19229 3862 1 11 . 1 1 690 690 ASN CB C 690 37.094 37.094 36.748 0.346 19229 3863 1 11 . 1 1 690 690 ASN H H 690 7.770 7.770 7.686 0.084 19229 3864 1 11 . 1 1 691 691 TYR N N 691 120.010 120.010 120.587 -0.577 19229 3865 1 11 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.649 -0.209 19229 3866 1 11 . 1 1 691 691 TYR C C 691 174.073 174.073 173.684 0.389 19229 3867 1 11 . 1 1 691 691 TYR CA C 691 57.695 57.695 58.112 -0.417 19229 3868 1 11 . 1 1 691 691 TYR CB C 691 40.575 40.575 41.344 -0.769 19229 3869 1 11 . 1 1 691 691 TYR H H 691 8.271 8.271 8.179 0.092 19229 3870 1 11 . 1 1 692 692 ASP N N 692 126.612 126.612 119.447 7.165 19229 3871 1 11 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.779 -0.414 19229 3872 1 11 . 1 1 692 692 ASP C C 692 175.663 175.663 175.167 0.496 19229 3873 1 11 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.454 0.380 19229 3874 1 11 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.641 -2.267 19229 3875 1 11 . 1 1 692 692 ASP H H 692 7.799 7.799 7.463 0.336 19229 3876 1 11 . 1 1 693 693 GLU N N 693 125.198 125.198 116.126 9.072 19229 3877 1 11 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.215 -0.291 19229 3878 1 11 . 1 1 693 693 GLU C C 693 177.119 177.119 178.290 -1.171 19229 3879 1 11 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.713 -0.525 19229 3880 1 11 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.498 -0.401 19229 3881 1 11 . 1 1 693 693 GLU H H 693 8.792 8.792 8.640 0.152 19229 3882 1 11 . 1 1 694 694 LYS N N 694 120.048 120.048 119.312 0.736 19229 3883 1 11 . 1 1 694 694 LYS HA H 694 4.070 4.070 4.044 0.026 19229 3884 1 11 . 1 1 694 694 LYS C C 694 177.168 177.168 178.034 -0.866 19229 3885 1 11 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.651 -1.097 19229 3886 1 11 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.200 -0.713 19229 3887 1 11 . 1 1 694 694 LYS H H 694 8.294 8.294 7.957 0.337 19229 3888 1 11 . 1 1 695 695 ASN N N 695 117.271 117.271 114.238 3.033 19229 3889 1 11 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.708 -0.098 19229 3890 1 11 . 1 1 695 695 ASN C C 695 175.517 175.517 176.655 -1.138 19229 3891 1 11 . 1 1 695 695 ASN CA C 695 52.975 52.975 53.343 -0.367 19229 3892 1 11 . 1 1 695 695 ASN CB C 695 38.673 38.673 39.226 -0.553 19229 3893 1 11 . 1 1 695 695 ASN H H 695 7.809 7.809 8.073 -0.264 19229 3894 1 11 . 1 1 696 696 LEU N N 696 122.015 122.015 122.062 -0.047 19229 3895 1 11 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.711 -0.503 19229 3896 1 11 . 1 1 696 696 LEU C C 696 177.823 177.823 177.591 0.232 19229 3897 1 11 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.892 -0.690 19229 3898 1 11 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.444 -0.319 19229 3899 1 11 . 1 1 696 696 LEU H H 696 7.764 7.764 7.391 0.373 19229 3900 1 11 . 1 1 697 697 LYS N N 697 116.437 116.437 116.957 -0.520 19229 3901 1 11 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.300 -0.163 19229 3902 1 11 . 1 1 697 697 LYS C C 697 176.536 176.536 176.304 0.232 19229 3903 1 11 . 1 1 697 697 LYS CA C 697 56.957 56.957 57.841 -0.884 19229 3904 1 11 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.153 -0.102 19229 3905 1 11 . 1 1 697 697 LYS H H 697 8.277 8.277 7.768 0.509 19229 3906 1 11 . 1 1 698 698 ILE N N 698 117.807 117.807 117.824 -0.017 19229 3907 1 11 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.190 -0.123 19229 3908 1 11 . 1 1 698 698 ILE C C 698 175.700 175.700 176.244 -0.544 19229 3909 1 11 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.254 0.573 19229 3910 1 11 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.725 -0.559 19229 3911 1 11 . 1 1 698 698 ILE H H 698 7.650 7.650 7.408 0.242 19229 3912 1 11 . 1 1 699 699 LYS N N 699 123.286 123.286 121.018 2.268 19229 3913 1 11 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.567 0.188 19229 3914 1 11 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.494 -1.097 19229 3915 1 11 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.297 1.304 19229 3916 1 11 . 1 1 699 699 LYS H H 699 8.121 8.121 8.071 0.050 19229 3917 1 11 . 1 1 700 700 PRO HA H 700 4.250 4.250 3.776 0.474 19229 3918 1 11 . 1 1 700 700 PRO C C 700 175.213 175.213 175.543 -0.330 19229 3919 1 11 . 1 1 700 700 PRO CA C 700 62.800 62.800 62.935 -0.135 19229 3920 1 11 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.706 1.016 19229 3921 1 11 . 1 1 701 701 PHE N N 701 122.959 122.959 116.880 6.079 19229 3922 1 11 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.404 -0.157 19229 3923 1 11 . 1 1 701 701 PHE C C 701 171.657 171.657 172.915 -1.258 19229 3924 1 11 . 1 1 701 701 PHE CA C 701 58.140 58.140 54.797 3.343 19229 3925 1 11 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.344 -1.896 19229 3926 1 11 . 1 1 701 701 PHE H H 701 8.042 8.042 7.249 0.793 19229 3927 1 11 . 1 1 702 702 TYR N N 702 123.854 123.854 119.677 4.177 19229 3928 1 11 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.780 0.250 19229 3929 1 11 . 1 1 702 702 TYR C C 702 173.915 173.915 175.079 -1.164 19229 3930 1 11 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.697 -1.891 19229 3931 1 11 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.163 -1.093 19229 3932 1 11 . 1 1 702 702 TYR H H 702 6.754 6.754 7.883 -1.129 19229 3933 1 11 . 1 1 703 703 CYS N N 703 124.963 124.963 119.586 5.377 19229 3934 1 11 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.949 -0.696 19229 3935 1 11 . 1 1 703 703 CYS CA C 703 57.300 57.300 55.213 2.087 19229 3936 1 11 . 1 1 703 703 CYS CB C 703 28.951 28.951 28.183 0.768 19229 3937 1 11 . 1 1 703 703 CYS H H 703 9.298 9.298 8.525 0.773 19229 3938 1 11 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.202 -0.155 19229 3939 1 11 . 1 1 704 704 PRO C C 704 178.818 178.818 178.140 0.678 19229 3940 1 11 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.561 0.090 19229 3941 1 11 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.691 0.300 19229 3942 1 11 . 1 1 705 705 HIS N N 705 115.532 115.532 118.111 -2.579 19229 3943 1 11 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.325 -0.043 19229 3944 1 11 . 1 1 705 705 HIS C C 705 177.689 177.689 177.152 0.537 19229 3945 1 11 . 1 1 705 705 HIS CA C 705 58.646 58.646 60.650 -2.004 19229 3946 1 11 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.724 0.002 19229 3947 1 11 . 1 1 705 705 HIS H H 705 7.843 7.843 8.568 -0.725 19229 3948 1 11 . 1 1 706 706 CYS N N 706 124.314 124.314 118.535 5.779 19229 3949 1 11 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.139 -0.368 19229 3950 1 11 . 1 1 706 706 CYS C C 706 177.204 177.204 177.084 0.120 19229 3951 1 11 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.103 1.143 19229 3952 1 11 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.055 3.389 19229 3953 1 11 . 1 1 706 706 CYS H H 706 8.442 8.442 7.962 0.480 19229 3954 1 11 . 1 1 707 707 LEU N N 707 119.208 119.208 120.787 -1.579 19229 3955 1 11 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.961 -0.211 19229 3956 1 11 . 1 1 707 707 LEU C C 707 178.903 178.903 179.199 -0.296 19229 3957 1 11 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.134 -0.932 19229 3958 1 11 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.555 0.428 19229 3959 1 11 . 1 1 707 707 LEU H H 707 8.162 8.162 7.488 0.674 19229 3960 1 11 . 1 1 708 708 VAL N N 708 116.959 116.959 118.122 -1.163 19229 3961 1 11 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.915 -0.166 19229 3962 1 11 . 1 1 708 708 VAL C C 708 176.876 176.876 178.451 -1.575 19229 3963 1 11 . 1 1 708 708 VAL CA C 708 64.077 64.077 65.832 -1.755 19229 3964 1 11 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.608 0.376 19229 3965 1 11 . 1 1 708 708 VAL H H 708 7.161 7.161 7.862 -0.701 19229 3966 1 11 . 1 1 709 709 ALA N N 709 122.758 122.758 121.271 1.487 19229 3967 1 11 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.044 0.069 19229 3968 1 11 . 1 1 709 709 ALA C C 709 177.859 177.859 178.483 -0.624 19229 3969 1 11 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.097 -1.404 19229 3970 1 11 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.807 -0.071 19229 3971 1 11 . 1 1 709 709 ALA H H 709 7.408 7.408 7.268 0.140 19229 3972 1 11 . 1 1 710 710 MET N N 710 117.242 117.242 116.356 0.886 19229 3973 1 11 . 1 1 710 710 MET HA H 710 4.197 4.197 4.325 -0.128 19229 3974 1 11 . 1 1 710 710 MET C C 710 175.832 175.832 176.510 -0.678 19229 3975 1 11 . 1 1 710 710 MET CA C 710 55.557 55.557 56.802 -1.245 19229 3976 1 11 . 1 1 710 710 MET CB C 710 33.440 33.440 33.087 0.353 19229 3977 1 11 . 1 1 710 710 MET H H 710 7.586 7.586 7.509 0.077 19229 3978 1 11 . 1 1 711 711 GLU N N 711 122.546 122.546 119.945 2.601 19229 3979 1 11 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.466 -0.079 19229 3980 1 11 . 1 1 711 711 GLU CA C 711 54.384 54.384 54.350 0.034 19229 3981 1 11 . 1 1 711 711 GLU CB C 711 29.444 29.444 29.680 -0.236 19229 3982 1 11 . 1 1 711 711 GLU H H 711 7.828 7.828 7.482 0.346 19229 3983 1 11 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.528 -0.196 19229 3984 1 11 . 1 1 712 712 PRO C C 712 176.876 176.876 176.535 0.341 19229 3985 1 11 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.760 0.235 19229 3986 1 11 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.259 -0.337 19229 3987 1 11 . 1 1 713 713 VAL N N 713 120.328 120.328 118.815 1.513 19229 3988 1 11 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.223 -0.230 19229 3989 1 11 . 1 1 713 713 VAL C C 713 176.257 176.257 176.151 0.106 19229 3990 1 11 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.321 -0.188 19229 3991 1 11 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.401 0.214 19229 3992 1 11 . 1 1 713 713 VAL H H 713 8.157 8.157 8.018 0.139 19229 3993 1 11 . 1 1 714 714 SER N N 714 119.503 119.503 119.368 0.135 19229 3994 1 11 . 1 1 714 714 SER HA H 714 4.440 4.440 4.517 -0.077 19229 3995 1 11 . 1 1 714 714 SER C C 714 174.619 174.619 174.560 0.059 19229 3996 1 11 . 1 1 714 714 SER CA C 714 57.976 57.976 58.062 -0.086 19229 3997 1 11 . 1 1 714 714 SER CB C 714 63.816 63.816 63.768 0.048 19229 3998 1 11 . 1 1 714 714 SER H H 714 8.368 8.368 8.388 -0.020 19229 3999 1 11 . 1 1 715 715 THR N N 715 116.281 116.281 119.072 -2.791 19229 4000 1 11 . 1 1 715 715 THR HA H 715 4.261 4.261 4.408 -0.147 19229 4001 1 11 . 1 1 715 715 THR C C 715 173.559 173.559 174.451 -0.892 19229 4002 1 11 . 1 1 715 715 THR CA C 715 61.499 61.499 62.316 -0.817 19229 4003 1 11 . 1 1 715 715 THR CB C 715 69.476 69.476 69.639 -0.163 19229 4004 1 11 . 1 1 715 715 THR H H 715 8.141 8.141 8.333 -0.192 19229 4005 1 12 . 1 1 653 653 ASN N N 653 120.067 120.067 122.663 -2.596 19229 4006 1 12 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.875 -0.287 19229 4007 1 12 . 1 1 653 653 ASN C C 653 175.383 175.383 174.322 1.061 19229 4008 1 12 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.251 -0.057 19229 4009 1 12 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.420 0.393 19229 4010 1 12 . 1 1 653 653 ASN H H 653 8.357 8.357 8.623 -0.266 19229 4011 1 12 . 1 1 654 654 THR N N 654 113.812 113.812 115.427 -1.615 19229 4012 1 12 . 1 1 654 654 THR HA H 654 4.260 4.260 4.676 -0.416 19229 4013 1 12 . 1 1 654 654 THR C C 654 174.825 174.825 173.726 1.099 19229 4014 1 12 . 1 1 654 654 THR CA C 654 61.806 61.806 61.908 -0.102 19229 4015 1 12 . 1 1 654 654 THR CB C 654 69.645 69.645 69.922 -0.277 19229 4016 1 12 . 1 1 654 654 THR H H 654 8.040 8.040 8.024 0.016 19229 4017 1 12 . 1 1 655 655 SER N N 655 117.231 117.231 120.358 -3.127 19229 4018 1 12 . 1 1 655 655 SER HA H 655 4.367 4.367 4.742 -0.375 19229 4019 1 12 . 1 1 655 655 SER C C 655 174.218 174.218 173.223 0.995 19229 4020 1 12 . 1 1 655 655 SER CA C 655 58.681 58.681 57.730 0.951 19229 4021 1 12 . 1 1 655 655 SER CB C 655 63.586 63.586 65.380 -1.794 19229 4022 1 12 . 1 1 655 655 SER H H 655 8.277 8.277 8.230 0.047 19229 4023 1 12 . 1 1 656 656 ASP N N 656 121.799 121.799 120.624 1.175 19229 4024 1 12 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.733 -0.202 19229 4025 1 12 . 1 1 656 656 ASP C C 656 175.250 175.250 174.609 0.641 19229 4026 1 12 . 1 1 656 656 ASP CA C 656 54.385 54.385 53.503 0.882 19229 4027 1 12 . 1 1 656 656 ASP CB C 656 41.069 41.069 42.433 -1.364 19229 4028 1 12 . 1 1 656 656 ASP H H 656 8.197 8.197 8.208 -0.011 19229 4029 1 12 . 1 1 657 657 TYR N N 657 122.165 122.165 118.994 3.171 19229 4030 1 12 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.376 0.070 19229 4031 1 12 . 1 1 657 657 TYR C C 657 174.607 174.607 176.090 -1.483 19229 4032 1 12 . 1 1 657 657 TYR CA C 657 58.688 58.688 58.348 0.340 19229 4033 1 12 . 1 1 657 657 TYR CB C 657 39.025 39.025 38.963 0.062 19229 4034 1 12 . 1 1 657 657 TYR H H 657 8.023 8.023 8.542 -0.519 19229 4035 1 12 . 1 1 658 658 ARG N N 658 128.309 128.309 125.243 3.066 19229 4036 1 12 . 1 1 658 658 ARG HA H 658 4.377 4.377 3.992 0.385 19229 4037 1 12 . 1 1 658 658 ARG C C 658 172.871 172.871 175.669 -2.798 19229 4038 1 12 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.202 0.238 19229 4039 1 12 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.220 4.042 19229 4040 1 12 . 1 1 658 658 ARG H H 658 8.637 8.637 8.713 -0.076 19229 4041 1 12 . 1 1 659 659 PHE N N 659 125.304 125.304 120.394 4.910 19229 4042 1 12 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.353 0.572 19229 4043 1 12 . 1 1 659 659 PHE C C 659 174.558 174.558 175.051 -0.493 19229 4044 1 12 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.122 0.349 19229 4045 1 12 . 1 1 659 659 PHE CB C 659 41.719 41.719 36.759 4.960 19229 4046 1 12 . 1 1 659 659 PHE H H 659 8.551 8.551 7.208 1.343 19229 4047 1 12 . 1 1 660 660 GLU N N 660 128.804 128.804 120.837 7.967 19229 4048 1 12 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.580 -0.626 19229 4049 1 12 . 1 1 660 660 GLU C C 660 172.361 172.361 174.852 -2.491 19229 4050 1 12 . 1 1 660 660 GLU CA C 660 56.471 56.471 54.033 2.438 19229 4051 1 12 . 1 1 660 660 GLU CB C 660 31.644 31.644 33.783 -2.139 19229 4052 1 12 . 1 1 660 660 GLU H H 660 7.833 7.833 7.821 0.012 19229 4053 1 12 . 1 1 661 661 CYS N N 661 127.001 127.001 120.746 6.255 19229 4054 1 12 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.703 -0.345 19229 4055 1 12 . 1 1 661 661 CYS C C 661 176.221 176.221 177.554 -1.333 19229 4056 1 12 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.376 0.669 19229 4057 1 12 . 1 1 661 661 CYS CB C 661 30.839 30.839 28.528 2.311 19229 4058 1 12 . 1 1 661 661 CYS H H 661 8.356 8.356 8.817 -0.461 19229 4059 1 12 . 1 1 662 662 ILE N N 662 127.765 127.765 122.221 5.544 19229 4060 1 12 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.963 0.165 19229 4061 1 12 . 1 1 662 662 ILE C C 662 176.439 176.439 176.558 -0.119 19229 4062 1 12 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.918 -0.612 19229 4063 1 12 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.364 1.097 19229 4064 1 12 . 1 1 662 662 ILE H H 662 8.075 8.075 8.790 -0.715 19229 4065 1 12 . 1 1 663 663 CYS N N 663 120.000 120.000 117.304 2.696 19229 4066 1 12 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.779 -0.241 19229 4067 1 12 . 1 1 663 663 CYS C C 663 177.046 177.046 176.097 0.949 19229 4068 1 12 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.326 0.566 19229 4069 1 12 . 1 1 663 663 CYS CB C 663 30.994 30.994 27.368 3.626 19229 4070 1 12 . 1 1 663 663 CYS H H 663 7.661 7.661 8.336 -0.675 19229 4071 1 12 . 1 1 664 664 GLY N N 664 110.372 110.372 110.989 -0.617 19229 4072 1 12 . 1 1 664 664 GLY C C 664 173.818 173.818 173.512 0.306 19229 4073 1 12 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.720 0.139 19229 4074 1 12 . 1 1 664 664 GLY H H 664 7.855 7.855 7.867 -0.012 19229 4075 1 12 . 1 1 665 665 GLU N N 665 122.002 122.002 120.066 1.936 19229 4076 1 12 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.500 -0.147 19229 4077 1 12 . 1 1 665 665 GLU C C 665 175.990 175.990 175.815 0.175 19229 4078 1 12 . 1 1 665 665 GLU CA C 665 56.286 56.286 55.230 1.056 19229 4079 1 12 . 1 1 665 665 GLU CB C 665 31.276 31.276 32.338 -1.062 19229 4080 1 12 . 1 1 665 665 GLU H H 665 8.276 8.276 8.223 0.053 19229 4081 1 12 . 1 1 666 666 LEU N N 666 122.355 122.355 123.420 -1.065 19229 4082 1 12 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.242 0.107 19229 4083 1 12 . 1 1 666 666 LEU C C 666 176.816 176.816 177.134 -0.318 19229 4084 1 12 . 1 1 666 666 LEU CA C 666 54.595 54.595 55.528 -0.933 19229 4085 1 12 . 1 1 666 666 LEU CB C 666 42.549 42.549 42.302 0.247 19229 4086 1 12 . 1 1 666 666 LEU H H 666 8.341 8.341 8.424 -0.083 19229 4087 1 12 . 1 1 667 667 ASP N N 667 121.075 121.075 118.348 2.727 19229 4088 1 12 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.419 -0.373 19229 4089 1 12 . 1 1 667 667 ASP C C 667 175.432 175.432 175.306 0.126 19229 4090 1 12 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.128 1.044 19229 4091 1 12 . 1 1 667 667 ASP CB C 667 41.069 41.069 39.404 1.665 19229 4092 1 12 . 1 1 667 667 ASP H H 667 8.325 8.325 8.641 -0.316 19229 4093 1 12 . 1 1 668 668 GLN N N 668 121.978 121.978 115.194 6.784 19229 4094 1 12 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.653 -0.456 19229 4095 1 12 . 1 1 668 668 GLN C C 668 175.420 175.420 175.532 -0.112 19229 4096 1 12 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.238 0.987 19229 4097 1 12 . 1 1 668 668 GLN CB C 668 30.149 30.149 32.094 -1.945 19229 4098 1 12 . 1 1 668 668 GLN H H 668 8.083 8.083 7.369 0.714 19229 4099 1 12 . 1 1 669 669 ILE N N 669 120.079 120.079 121.324 -1.245 19229 4100 1 12 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.299 -0.421 19229 4101 1 12 . 1 1 669 669 ILE C C 669 175.347 175.347 176.322 -0.975 19229 4102 1 12 . 1 1 669 669 ILE CA C 669 61.499 61.499 61.953 -0.454 19229 4103 1 12 . 1 1 669 669 ILE CB C 669 37.123 37.123 38.083 -0.960 19229 4104 1 12 . 1 1 669 669 ILE H H 669 8.155 8.155 8.579 -0.424 19229 4105 1 12 . 1 1 670 670 ASP N N 670 123.410 123.410 119.547 3.863 19229 4106 1 12 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.388 0.038 19229 4107 1 12 . 1 1 670 670 ASP C C 670 176.124 176.124 177.062 -0.938 19229 4108 1 12 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.363 -2.754 19229 4109 1 12 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.928 0.211 19229 4110 1 12 . 1 1 670 670 ASP H H 670 7.992 7.992 8.007 -0.015 19229 4111 1 12 . 1 1 671 671 ARG N N 671 118.285 118.285 118.841 -0.556 19229 4112 1 12 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.343 -0.174 19229 4113 1 12 . 1 1 671 671 ARG C C 671 176.476 176.476 176.342 0.134 19229 4114 1 12 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.938 -0.900 19229 4115 1 12 . 1 1 671 671 ARG CB C 671 29.552 29.552 32.398 -2.846 19229 4116 1 12 . 1 1 671 671 ARG H H 671 8.274 8.274 7.665 0.609 19229 4117 1 12 . 1 1 672 672 LYS N N 672 122.196 122.196 119.902 2.294 19229 4118 1 12 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.866 -0.380 19229 4119 1 12 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.216 2.731 19229 4120 1 12 . 1 1 672 672 LYS CB C 672 32.262 32.262 32.592 -0.330 19229 4121 1 12 . 1 1 672 672 LYS H H 672 8.060 8.060 7.780 0.280 19229 4122 1 12 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.332 0.066 19229 4123 1 12 . 1 1 673 673 PRO C C 673 177.204 177.204 175.605 1.599 19229 4124 1 12 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.739 0.225 19229 4125 1 12 . 1 1 673 673 PRO CB C 673 32.538 32.538 31.851 0.687 19229 4126 1 12 . 1 1 674 674 ARG N N 674 123.076 123.076 120.417 2.659 19229 4127 1 12 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.692 0.796 19229 4128 1 12 . 1 1 674 674 ARG C C 674 174.473 174.473 174.433 0.040 19229 4129 1 12 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.558 0.426 19229 4130 1 12 . 1 1 674 674 ARG CB C 674 35.552 35.552 33.444 2.108 19229 4131 1 12 . 1 1 674 674 ARG H H 674 8.982 8.982 8.022 0.960 19229 4132 1 12 . 1 1 675 675 VAL N N 675 116.941 116.941 116.666 0.275 19229 4133 1 12 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.252 0.198 19229 4134 1 12 . 1 1 675 675 VAL C C 675 171.342 171.342 175.065 -3.723 19229 4135 1 12 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.152 -0.626 19229 4136 1 12 . 1 1 675 675 VAL CB C 675 35.310 35.310 34.823 0.487 19229 4137 1 12 . 1 1 675 675 VAL H H 675 9.109 9.109 8.707 0.402 19229 4138 1 12 . 1 1 676 676 GLN N N 676 126.293 126.293 125.196 1.097 19229 4139 1 12 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.797 -0.744 19229 4140 1 12 . 1 1 676 676 GLN C C 676 174.910 174.910 175.789 -0.879 19229 4141 1 12 . 1 1 676 676 GLN CA C 676 53.209 53.209 55.516 -2.307 19229 4142 1 12 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.335 1.765 19229 4143 1 12 . 1 1 676 676 GLN H H 676 7.755 7.755 8.601 -0.846 19229 4144 1 12 . 1 1 677 677 CYS N N 677 128.217 128.217 125.936 2.281 19229 4145 1 12 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.697 -0.624 19229 4146 1 12 . 1 1 677 677 CYS C C 677 177.471 177.471 176.795 0.676 19229 4147 1 12 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.679 0.770 19229 4148 1 12 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.571 5.156 19229 4149 1 12 . 1 1 677 677 CYS H H 677 8.366 8.366 8.775 -0.409 19229 4150 1 12 . 1 1 678 678 LEU N N 678 131.279 131.279 126.322 4.957 19229 4151 1 12 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.005 -0.167 19229 4152 1 12 . 1 1 678 678 LEU C C 678 176.718 176.718 177.294 -0.576 19229 4153 1 12 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.748 -0.899 19229 4154 1 12 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.370 0.684 19229 4155 1 12 . 1 1 678 678 LEU H H 678 8.304 8.304 8.138 0.166 19229 4156 1 12 . 1 1 679 679 LYS N N 679 120.707 120.707 117.847 2.860 19229 4157 1 12 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.211 0.124 19229 4158 1 12 . 1 1 679 679 LYS C C 679 176.160 176.160 177.184 -1.024 19229 4159 1 12 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.006 -0.020 19229 4160 1 12 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.842 0.195 19229 4161 1 12 . 1 1 679 679 LYS H H 679 8.752 8.752 8.292 0.460 19229 4162 1 12 . 1 1 680 680 CYS N N 680 118.211 118.211 114.525 3.686 19229 4163 1 12 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.623 -0.157 19229 4164 1 12 . 1 1 680 680 CYS C C 680 176.306 176.306 174.566 1.740 19229 4165 1 12 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.385 1.789 19229 4166 1 12 . 1 1 680 680 CYS CB C 680 31.346 31.346 28.109 3.237 19229 4167 1 12 . 1 1 680 680 CYS H H 680 8.230 8.230 7.651 0.579 19229 4168 1 12 . 1 1 681 681 HIS N N 681 113.392 113.392 118.993 -5.601 19229 4169 1 12 . 1 1 681 681 HIS HA H 681 4.204 4.204 4.093 0.111 19229 4170 1 12 . 1 1 681 681 HIS C C 681 173.478 173.478 173.036 0.442 19229 4171 1 12 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.556 0.434 19229 4172 1 12 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.404 -0.848 19229 4173 1 12 . 1 1 681 681 HIS H H 681 7.149 7.149 8.365 -1.216 19229 4174 1 12 . 1 1 682 682 LEU N N 682 124.066 124.066 121.491 2.575 19229 4175 1 12 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.458 -0.163 19229 4176 1 12 . 1 1 682 682 LEU C C 682 176.670 176.670 174.562 2.108 19229 4177 1 12 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.165 3.062 19229 4178 1 12 . 1 1 682 682 LEU CB C 682 44.035 44.035 44.450 -0.415 19229 4179 1 12 . 1 1 682 682 LEU H H 682 8.172 8.172 7.461 0.711 19229 4180 1 12 . 1 1 683 683 TRP N N 683 124.208 124.208 125.515 -1.307 19229 4181 1 12 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.981 0.110 19229 4182 1 12 . 1 1 683 683 TRP C C 683 174.133 174.133 175.377 -1.244 19229 4183 1 12 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.751 0.972 19229 4184 1 12 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.629 1.185 19229 4185 1 12 . 1 1 683 683 TRP H H 683 8.666 8.666 8.230 0.436 19229 4186 1 12 . 1 1 684 684 GLN N N 684 114.943 114.943 119.768 -4.825 19229 4187 1 12 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.727 -0.762 19229 4188 1 12 . 1 1 684 684 GLN C C 684 176.002 176.002 174.691 1.311 19229 4189 1 12 . 1 1 684 684 GLN CA C 684 54.595 54.595 53.977 0.618 19229 4190 1 12 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.665 -0.910 19229 4191 1 12 . 1 1 684 684 GLN H H 684 8.655 8.655 8.827 -0.172 19229 4192 1 12 . 1 1 685 685 HIS N N 685 121.485 121.485 119.262 2.223 19229 4193 1 12 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.830 0.181 19229 4194 1 12 . 1 1 685 685 HIS C C 685 175.990 175.990 175.062 0.928 19229 4195 1 12 . 1 1 685 685 HIS CA C 685 58.024 58.024 56.266 1.758 19229 4196 1 12 . 1 1 685 685 HIS CB C 685 31.454 31.454 31.535 -0.081 19229 4197 1 12 . 1 1 685 685 HIS H H 685 9.487 9.487 8.174 1.313 19229 4198 1 12 . 1 1 686 686 ALA N N 686 125.728 125.728 126.182 -0.454 19229 4199 1 12 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.219 -0.517 19229 4200 1 12 . 1 1 686 686 ALA C C 686 179.000 179.000 179.408 -0.408 19229 4201 1 12 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.528 -0.370 19229 4202 1 12 . 1 1 686 686 ALA CB C 686 17.858 17.858 19.191 -1.333 19229 4203 1 12 . 1 1 686 686 ALA H H 686 8.436 8.436 8.559 -0.123 19229 4204 1 12 . 1 1 687 687 LYS N N 687 116.216 116.216 118.330 -2.114 19229 4205 1 12 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.193 -0.069 19229 4206 1 12 . 1 1 687 687 LYS C C 687 180.129 180.129 177.612 2.517 19229 4207 1 12 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.320 0.361 19229 4208 1 12 . 1 1 687 687 LYS CB C 687 32.262 32.262 32.132 0.130 19229 4209 1 12 . 1 1 687 687 LYS H H 687 9.407 9.407 8.292 1.115 19229 4210 1 12 . 1 1 688 688 CYS N N 688 117.136 117.136 115.574 1.562 19229 4211 1 12 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.505 -0.576 19229 4212 1 12 . 1 1 688 688 CYS C C 688 176.439 176.439 175.863 0.576 19229 4213 1 12 . 1 1 688 688 CYS CA C 688 62.584 62.584 60.047 2.537 19229 4214 1 12 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.405 3.744 19229 4215 1 12 . 1 1 688 688 CYS H H 688 6.702 6.702 8.313 -1.611 19229 4216 1 12 . 1 1 689 689 VAL N N 689 106.705 106.705 114.915 -8.210 19229 4217 1 12 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.380 0.034 19229 4218 1 12 . 1 1 689 689 VAL C C 689 175.007 175.007 174.988 0.019 19229 4219 1 12 . 1 1 689 689 VAL CA C 689 60.160 60.160 62.080 -1.920 19229 4220 1 12 . 1 1 689 689 VAL CB C 689 30.924 30.924 32.996 -2.072 19229 4221 1 12 . 1 1 689 689 VAL H H 689 6.932 6.932 7.438 -0.506 19229 4222 1 12 . 1 1 690 690 ASN N N 690 117.807 117.807 117.268 0.539 19229 4223 1 12 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.459 -0.193 19229 4224 1 12 . 1 1 690 690 ASN C C 690 173.405 173.405 173.909 -0.504 19229 4225 1 12 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.588 -0.441 19229 4226 1 12 . 1 1 690 690 ASN CB C 690 37.094 37.094 36.215 0.879 19229 4227 1 12 . 1 1 690 690 ASN H H 690 7.770 7.770 8.155 -0.385 19229 4228 1 12 . 1 1 691 691 TYR N N 691 120.010 120.010 120.392 -0.382 19229 4229 1 12 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.637 -0.197 19229 4230 1 12 . 1 1 691 691 TYR C C 691 174.073 174.073 172.888 1.185 19229 4231 1 12 . 1 1 691 691 TYR CA C 691 57.695 57.695 57.779 -0.084 19229 4232 1 12 . 1 1 691 691 TYR CB C 691 40.575 40.575 41.646 -1.071 19229 4233 1 12 . 1 1 691 691 TYR H H 691 8.271 8.271 7.836 0.435 19229 4234 1 12 . 1 1 692 692 ASP N N 692 126.612 126.612 118.330 8.282 19229 4235 1 12 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.811 -0.447 19229 4236 1 12 . 1 1 692 692 ASP C C 692 175.663 175.663 175.434 0.229 19229 4237 1 12 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.543 0.291 19229 4238 1 12 . 1 1 692 692 ASP CB C 692 41.374 41.374 44.076 -2.702 19229 4239 1 12 . 1 1 692 692 ASP H H 692 7.799 7.799 7.637 0.162 19229 4240 1 12 . 1 1 693 693 GLU N N 693 125.198 125.198 116.521 8.677 19229 4241 1 12 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.011 -0.087 19229 4242 1 12 . 1 1 693 693 GLU C C 693 177.119 177.119 178.096 -0.977 19229 4243 1 12 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.809 -0.621 19229 4244 1 12 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.478 -0.381 19229 4245 1 12 . 1 1 693 693 GLU H H 693 8.792 8.792 8.697 0.095 19229 4246 1 12 . 1 1 694 694 LYS N N 694 120.048 120.048 118.738 1.310 19229 4247 1 12 . 1 1 694 694 LYS HA H 694 4.070 4.070 3.972 0.098 19229 4248 1 12 . 1 1 694 694 LYS C C 694 177.168 177.168 177.969 -0.801 19229 4249 1 12 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.567 -1.013 19229 4250 1 12 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.231 -0.744 19229 4251 1 12 . 1 1 694 694 LYS H H 694 8.294 8.294 7.960 0.334 19229 4252 1 12 . 1 1 695 695 ASN N N 695 117.271 117.271 114.804 2.467 19229 4253 1 12 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.621 -0.011 19229 4254 1 12 . 1 1 695 695 ASN C C 695 175.517 175.517 176.741 -1.224 19229 4255 1 12 . 1 1 695 695 ASN CA C 695 52.975 52.975 53.586 -0.611 19229 4256 1 12 . 1 1 695 695 ASN CB C 695 38.673 38.673 39.065 -0.392 19229 4257 1 12 . 1 1 695 695 ASN H H 695 7.809 7.809 8.010 -0.201 19229 4258 1 12 . 1 1 696 696 LEU N N 696 122.015 122.015 122.049 -0.034 19229 4259 1 12 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.387 -0.179 19229 4260 1 12 . 1 1 696 696 LEU C C 696 177.823 177.823 177.617 0.206 19229 4261 1 12 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.278 -0.076 19229 4262 1 12 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.070 0.055 19229 4263 1 12 . 1 1 696 696 LEU H H 696 7.764 7.764 7.246 0.518 19229 4264 1 12 . 1 1 697 697 LYS N N 697 116.437 116.437 117.259 -0.822 19229 4265 1 12 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.193 -0.056 19229 4266 1 12 . 1 1 697 697 LYS C C 697 176.536 176.536 176.543 -0.007 19229 4267 1 12 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.081 -1.123 19229 4268 1 12 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.254 -0.203 19229 4269 1 12 . 1 1 697 697 LYS H H 697 8.277 8.277 7.714 0.563 19229 4270 1 12 . 1 1 698 698 ILE N N 698 117.807 117.807 117.788 0.019 19229 4271 1 12 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.209 -0.142 19229 4272 1 12 . 1 1 698 698 ILE C C 698 175.700 175.700 176.526 -0.826 19229 4273 1 12 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.411 0.416 19229 4274 1 12 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.515 -0.349 19229 4275 1 12 . 1 1 698 698 ILE H H 698 7.650 7.650 7.462 0.188 19229 4276 1 12 . 1 1 699 699 LYS N N 699 123.286 123.286 120.815 2.471 19229 4277 1 12 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.658 0.097 19229 4278 1 12 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.613 -1.216 19229 4279 1 12 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.276 1.325 19229 4280 1 12 . 1 1 699 699 LYS H H 699 8.121 8.121 8.255 -0.134 19229 4281 1 12 . 1 1 700 700 PRO HA H 700 4.250 4.250 4.001 0.249 19229 4282 1 12 . 1 1 700 700 PRO C C 700 175.213 175.213 175.622 -0.409 19229 4283 1 12 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.140 -0.340 19229 4284 1 12 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.820 0.902 19229 4285 1 12 . 1 1 701 701 PHE N N 701 122.959 122.959 117.076 5.883 19229 4286 1 12 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.328 -0.081 19229 4287 1 12 . 1 1 701 701 PHE C C 701 171.657 171.657 173.023 -1.366 19229 4288 1 12 . 1 1 701 701 PHE CA C 701 58.140 58.140 56.195 1.945 19229 4289 1 12 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.544 -2.096 19229 4290 1 12 . 1 1 701 701 PHE H H 701 8.042 8.042 7.186 0.856 19229 4291 1 12 . 1 1 702 702 TYR N N 702 123.854 123.854 120.783 3.071 19229 4292 1 12 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.790 0.240 19229 4293 1 12 . 1 1 702 702 TYR C C 702 173.915 173.915 175.266 -1.351 19229 4294 1 12 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.892 -2.086 19229 4295 1 12 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.278 -1.209 19229 4296 1 12 . 1 1 702 702 TYR H H 702 6.754 6.754 7.793 -1.039 19229 4297 1 12 . 1 1 703 703 CYS N N 703 124.963 124.963 119.267 5.696 19229 4298 1 12 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.868 -0.615 19229 4299 1 12 . 1 1 703 703 CYS CA C 703 57.300 57.300 56.099 1.201 19229 4300 1 12 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.616 1.335 19229 4301 1 12 . 1 1 703 703 CYS H H 703 9.298 9.298 8.504 0.794 19229 4302 1 12 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.183 -0.136 19229 4303 1 12 . 1 1 704 704 PRO C C 704 178.818 178.818 178.001 0.817 19229 4304 1 12 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.811 -0.160 19229 4305 1 12 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.764 0.227 19229 4306 1 12 . 1 1 705 705 HIS N N 705 115.532 115.532 116.609 -1.077 19229 4307 1 12 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.359 -0.077 19229 4308 1 12 . 1 1 705 705 HIS C C 705 177.689 177.689 176.808 0.881 19229 4309 1 12 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.347 -0.701 19229 4310 1 12 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.881 -0.155 19229 4311 1 12 . 1 1 705 705 HIS H H 705 7.843 7.843 8.510 -0.667 19229 4312 1 12 . 1 1 706 706 CYS N N 706 124.314 124.314 118.093 6.221 19229 4313 1 12 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.093 -0.322 19229 4314 1 12 . 1 1 706 706 CYS C C 706 177.204 177.204 177.116 0.088 19229 4315 1 12 . 1 1 706 706 CYS CA C 706 64.247 64.247 62.709 1.538 19229 4316 1 12 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.014 3.429 19229 4317 1 12 . 1 1 706 706 CYS H H 706 8.442 8.442 8.279 0.163 19229 4318 1 12 . 1 1 707 707 LEU N N 707 119.208 119.208 121.946 -2.738 19229 4319 1 12 . 1 1 707 707 LEU HA H 707 3.750 3.750 4.037 -0.287 19229 4320 1 12 . 1 1 707 707 LEU C C 707 178.903 178.903 178.419 0.484 19229 4321 1 12 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.165 -0.963 19229 4322 1 12 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.665 0.318 19229 4323 1 12 . 1 1 707 707 LEU H H 707 8.162 8.162 7.456 0.706 19229 4324 1 12 . 1 1 708 708 VAL N N 708 116.959 116.959 114.662 2.297 19229 4325 1 12 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.803 -0.054 19229 4326 1 12 . 1 1 708 708 VAL C C 708 176.876 176.876 176.431 0.445 19229 4327 1 12 . 1 1 708 708 VAL CA C 708 64.077 64.077 63.547 0.530 19229 4328 1 12 . 1 1 708 708 VAL CB C 708 31.984 31.984 30.645 1.339 19229 4329 1 12 . 1 1 708 708 VAL H H 708 7.161 7.161 7.774 -0.613 19229 4330 1 12 . 1 1 709 709 ALA N N 709 122.758 122.758 120.814 1.944 19229 4331 1 12 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.195 -0.082 19229 4332 1 12 . 1 1 709 709 ALA C C 709 177.859 177.859 178.343 -0.484 19229 4333 1 12 . 1 1 709 709 ALA CA C 709 52.693 52.693 53.139 -0.446 19229 4334 1 12 . 1 1 709 709 ALA CB C 709 18.736 18.736 19.481 -0.745 19229 4335 1 12 . 1 1 709 709 ALA H H 709 7.408 7.408 7.163 0.245 19229 4336 1 12 . 1 1 710 710 MET N N 710 117.242 117.242 116.680 0.562 19229 4337 1 12 . 1 1 710 710 MET HA H 710 4.197 4.197 4.228 -0.031 19229 4338 1 12 . 1 1 710 710 MET C C 710 175.832 175.832 176.666 -0.834 19229 4339 1 12 . 1 1 710 710 MET CA C 710 55.557 55.557 57.018 -1.461 19229 4340 1 12 . 1 1 710 710 MET CB C 710 33.440 33.440 33.100 0.340 19229 4341 1 12 . 1 1 710 710 MET H H 710 7.586 7.586 7.603 -0.017 19229 4342 1 12 . 1 1 711 711 GLU N N 711 122.546 122.546 118.069 4.477 19229 4343 1 12 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.808 -0.421 19229 4344 1 12 . 1 1 711 711 GLU CA C 711 54.384 54.384 53.016 1.368 19229 4345 1 12 . 1 1 711 711 GLU CB C 711 29.444 29.444 30.244 -0.800 19229 4346 1 12 . 1 1 711 711 GLU H H 711 7.828 7.828 7.620 0.208 19229 4347 1 12 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.531 -0.199 19229 4348 1 12 . 1 1 712 712 PRO C C 712 176.876 176.876 177.076 -0.200 19229 4349 1 12 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.705 0.289 19229 4350 1 12 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.455 -0.532 19229 4351 1 12 . 1 1 713 713 VAL N N 713 120.328 120.328 116.694 3.634 19229 4352 1 12 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.233 -0.240 19229 4353 1 12 . 1 1 713 713 VAL C C 713 176.257 176.257 176.495 -0.238 19229 4354 1 12 . 1 1 713 713 VAL CA C 713 62.133 62.133 61.311 0.822 19229 4355 1 12 . 1 1 713 713 VAL CB C 713 32.615 32.615 31.843 0.772 19229 4356 1 12 . 1 1 713 713 VAL H H 713 8.157 8.157 8.137 0.020 19229 4357 1 12 . 1 1 714 714 SER N N 714 119.503 119.503 119.631 -0.128 19229 4358 1 12 . 1 1 714 714 SER HA H 714 4.440 4.440 4.544 -0.104 19229 4359 1 12 . 1 1 714 714 SER C C 714 174.619 174.619 173.644 0.975 19229 4360 1 12 . 1 1 714 714 SER CA C 714 57.976 57.976 58.724 -0.747 19229 4361 1 12 . 1 1 714 714 SER CB C 714 63.816 63.816 62.550 1.266 19229 4362 1 12 . 1 1 714 714 SER H H 714 8.368 8.368 8.586 -0.218 19229 4363 1 12 . 1 1 715 715 THR N N 715 116.281 116.281 120.719 -4.438 19229 4364 1 12 . 1 1 715 715 THR HA H 715 4.261 4.261 4.299 -0.038 19229 4365 1 12 . 1 1 715 715 THR C C 715 173.559 173.559 174.583 -1.024 19229 4366 1 12 . 1 1 715 715 THR CA C 715 61.499 61.499 62.982 -1.483 19229 4367 1 12 . 1 1 715 715 THR CB C 715 69.476 69.476 69.573 -0.097 19229 4368 1 12 . 1 1 715 715 THR H H 715 8.141 8.141 7.901 0.240 19229 4369 1 13 . 1 1 653 653 ASN N N 653 120.067 120.067 121.373 -1.306 19229 4370 1 13 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.976 -0.388 19229 4371 1 13 . 1 1 653 653 ASN C C 653 175.383 175.383 174.464 0.919 19229 4372 1 13 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.495 -0.301 19229 4373 1 13 . 1 1 653 653 ASN CB C 653 38.813 38.813 39.289 -0.476 19229 4374 1 13 . 1 1 653 653 ASN H H 653 8.357 8.357 8.691 -0.334 19229 4375 1 13 . 1 1 654 654 THR N N 654 113.812 113.812 115.679 -1.867 19229 4376 1 13 . 1 1 654 654 THR HA H 654 4.260 4.260 4.403 -0.143 19229 4377 1 13 . 1 1 654 654 THR C C 654 174.825 174.825 174.775 0.050 19229 4378 1 13 . 1 1 654 654 THR CA C 654 61.806 61.806 62.200 -0.394 19229 4379 1 13 . 1 1 654 654 THR CB C 654 69.645 69.645 68.889 0.756 19229 4380 1 13 . 1 1 654 654 THR H H 654 8.040 8.040 8.502 -0.462 19229 4381 1 13 . 1 1 655 655 SER N N 655 117.231 117.231 115.936 1.295 19229 4382 1 13 . 1 1 655 655 SER HA H 655 4.367 4.367 4.202 0.165 19229 4383 1 13 . 1 1 655 655 SER C C 655 174.218 174.218 174.233 -0.015 19229 4384 1 13 . 1 1 655 655 SER CA C 655 58.681 58.681 59.249 -0.569 19229 4385 1 13 . 1 1 655 655 SER CB C 655 63.586 63.586 63.265 0.321 19229 4386 1 13 . 1 1 655 655 SER H H 655 8.277 8.277 8.066 0.211 19229 4387 1 13 . 1 1 656 656 ASP N N 656 121.799 121.799 121.032 0.767 19229 4388 1 13 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.574 -0.043 19229 4389 1 13 . 1 1 656 656 ASP C C 656 175.250 175.250 175.344 -0.094 19229 4390 1 13 . 1 1 656 656 ASP CA C 656 54.385 54.385 53.959 0.426 19229 4391 1 13 . 1 1 656 656 ASP CB C 656 41.069 41.069 40.955 0.114 19229 4392 1 13 . 1 1 656 656 ASP H H 656 8.197 8.197 7.682 0.515 19229 4393 1 13 . 1 1 657 657 TYR N N 657 122.165 122.165 125.499 -3.334 19229 4394 1 13 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.330 0.116 19229 4395 1 13 . 1 1 657 657 TYR C C 657 174.607 174.607 175.888 -1.281 19229 4396 1 13 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.672 1.016 19229 4397 1 13 . 1 1 657 657 TYR CB C 657 39.025 39.025 37.581 1.444 19229 4398 1 13 . 1 1 657 657 TYR H H 657 8.023 8.023 8.688 -0.665 19229 4399 1 13 . 1 1 658 658 ARG N N 658 128.309 128.309 125.883 2.426 19229 4400 1 13 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.089 0.288 19229 4401 1 13 . 1 1 658 658 ARG C C 658 172.871 172.871 175.564 -2.693 19229 4402 1 13 . 1 1 658 658 ARG CA C 658 55.440 55.440 54.412 1.028 19229 4403 1 13 . 1 1 658 658 ARG CB C 658 32.262 32.262 27.876 4.386 19229 4404 1 13 . 1 1 658 658 ARG H H 658 8.637 8.637 8.369 0.268 19229 4405 1 13 . 1 1 659 659 PHE N N 659 125.304 125.304 120.812 4.492 19229 4406 1 13 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.384 0.541 19229 4407 1 13 . 1 1 659 659 PHE C C 659 174.558 174.558 174.854 -0.296 19229 4408 1 13 . 1 1 659 659 PHE CA C 659 56.471 56.471 55.876 0.595 19229 4409 1 13 . 1 1 659 659 PHE CB C 659 41.719 41.719 36.573 5.146 19229 4410 1 13 . 1 1 659 659 PHE H H 659 8.551 8.551 7.342 1.209 19229 4411 1 13 . 1 1 660 660 GLU N N 660 128.804 128.804 120.694 8.110 19229 4412 1 13 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.592 -0.638 19229 4413 1 13 . 1 1 660 660 GLU C C 660 172.361 172.361 174.847 -2.486 19229 4414 1 13 . 1 1 660 660 GLU CA C 660 56.471 56.471 54.221 2.250 19229 4415 1 13 . 1 1 660 660 GLU CB C 660 31.644 31.644 33.901 -2.256 19229 4416 1 13 . 1 1 660 660 GLU H H 660 7.833 7.833 7.823 0.010 19229 4417 1 13 . 1 1 661 661 CYS N N 661 127.001 127.001 121.351 5.650 19229 4418 1 13 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.720 -0.362 19229 4419 1 13 . 1 1 661 661 CYS C C 661 176.221 176.221 177.627 -1.406 19229 4420 1 13 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.382 0.663 19229 4421 1 13 . 1 1 661 661 CYS CB C 661 30.839 30.839 28.181 2.658 19229 4422 1 13 . 1 1 661 661 CYS H H 661 8.356 8.356 8.784 -0.428 19229 4423 1 13 . 1 1 662 662 ILE N N 662 127.765 127.765 123.767 3.998 19229 4424 1 13 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.910 0.218 19229 4425 1 13 . 1 1 662 662 ILE C C 662 176.439 176.439 176.763 -0.324 19229 4426 1 13 . 1 1 662 662 ILE CA C 662 63.306 63.306 64.080 -0.774 19229 4427 1 13 . 1 1 662 662 ILE CB C 662 38.462 38.462 36.971 1.490 19229 4428 1 13 . 1 1 662 662 ILE H H 662 8.075 8.075 9.119 -1.044 19229 4429 1 13 . 1 1 663 663 CYS N N 663 120.000 120.000 117.490 2.510 19229 4430 1 13 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.724 -0.186 19229 4431 1 13 . 1 1 663 663 CYS C C 663 177.046 177.046 176.094 0.952 19229 4432 1 13 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.579 0.313 19229 4433 1 13 . 1 1 663 663 CYS CB C 663 30.994 30.994 27.417 3.577 19229 4434 1 13 . 1 1 663 663 CYS H H 663 7.661 7.661 8.337 -0.676 19229 4435 1 13 . 1 1 664 664 GLY N N 664 110.372 110.372 111.938 -1.566 19229 4436 1 13 . 1 1 664 664 GLY C C 664 173.818 173.818 173.609 0.209 19229 4437 1 13 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.513 0.346 19229 4438 1 13 . 1 1 664 664 GLY H H 664 7.855 7.855 7.991 -0.136 19229 4439 1 13 . 1 1 665 665 GLU N N 665 122.002 122.002 120.663 1.339 19229 4440 1 13 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.625 -0.272 19229 4441 1 13 . 1 1 665 665 GLU C C 665 175.990 175.990 176.576 -0.586 19229 4442 1 13 . 1 1 665 665 GLU CA C 665 56.286 56.286 54.844 1.442 19229 4443 1 13 . 1 1 665 665 GLU CB C 665 31.276 31.276 32.230 -0.954 19229 4444 1 13 . 1 1 665 665 GLU H H 665 8.276 8.276 8.384 -0.108 19229 4445 1 13 . 1 1 666 666 LEU N N 666 122.355 122.355 121.722 0.633 19229 4446 1 13 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.383 -0.034 19229 4447 1 13 . 1 1 666 666 LEU C C 666 176.816 176.816 177.390 -0.574 19229 4448 1 13 . 1 1 666 666 LEU CA C 666 54.595 54.595 55.024 -0.429 19229 4449 1 13 . 1 1 666 666 LEU CB C 666 42.549 42.549 42.370 0.179 19229 4450 1 13 . 1 1 666 666 LEU H H 666 8.341 8.341 8.399 -0.058 19229 4451 1 13 . 1 1 667 667 ASP N N 667 121.075 121.075 115.447 5.628 19229 4452 1 13 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.683 -0.636 19229 4453 1 13 . 1 1 667 667 ASP C C 667 175.432 175.432 175.405 0.027 19229 4454 1 13 . 1 1 667 667 ASP CA C 667 54.172 54.172 52.900 1.272 19229 4455 1 13 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.048 0.021 19229 4456 1 13 . 1 1 667 667 ASP H H 667 8.325 8.325 8.597 -0.272 19229 4457 1 13 . 1 1 668 668 GLN N N 668 121.978 121.978 118.885 3.093 19229 4458 1 13 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.552 -0.355 19229 4459 1 13 . 1 1 668 668 GLN C C 668 175.420 175.420 176.554 -1.134 19229 4460 1 13 . 1 1 668 668 GLN CA C 668 55.225 55.225 55.057 0.168 19229 4461 1 13 . 1 1 668 668 GLN CB C 668 30.149 30.149 30.271 -0.122 19229 4462 1 13 . 1 1 668 668 GLN H H 668 8.083 8.083 8.111 -0.028 19229 4463 1 13 . 1 1 669 669 ILE N N 669 120.079 120.079 124.952 -4.873 19229 4464 1 13 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.166 -0.288 19229 4465 1 13 . 1 1 669 669 ILE C C 669 175.347 175.347 176.918 -1.571 19229 4466 1 13 . 1 1 669 669 ILE CA C 669 61.499 61.499 63.123 -1.623 19229 4467 1 13 . 1 1 669 669 ILE CB C 669 37.123 37.123 37.941 -0.818 19229 4468 1 13 . 1 1 669 669 ILE H H 669 8.155 8.155 8.586 -0.431 19229 4469 1 13 . 1 1 670 670 ASP N N 670 123.410 123.410 118.310 5.100 19229 4470 1 13 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.397 0.029 19229 4471 1 13 . 1 1 670 670 ASP C C 670 176.124 176.124 177.715 -1.591 19229 4472 1 13 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.284 -2.675 19229 4473 1 13 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.958 0.181 19229 4474 1 13 . 1 1 670 670 ASP H H 670 7.992 7.992 8.291 -0.299 19229 4475 1 13 . 1 1 671 671 ARG N N 671 118.285 118.285 118.531 -0.246 19229 4476 1 13 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.359 -0.190 19229 4477 1 13 . 1 1 671 671 ARG C C 671 176.476 176.476 176.587 -0.111 19229 4478 1 13 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.972 -0.934 19229 4479 1 13 . 1 1 671 671 ARG CB C 671 29.552 29.552 31.257 -1.705 19229 4480 1 13 . 1 1 671 671 ARG H H 671 8.274 8.274 7.682 0.592 19229 4481 1 13 . 1 1 672 672 LYS N N 672 122.196 122.196 117.729 4.467 19229 4482 1 13 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.828 -0.342 19229 4483 1 13 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.363 2.584 19229 4484 1 13 . 1 1 672 672 LYS CB C 672 32.262 32.262 33.253 -0.991 19229 4485 1 13 . 1 1 672 672 LYS H H 672 8.060 8.060 7.717 0.343 19229 4486 1 13 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.369 0.029 19229 4487 1 13 . 1 1 673 673 PRO C C 673 177.204 177.204 175.890 1.314 19229 4488 1 13 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.096 0.868 19229 4489 1 13 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.056 0.481 19229 4490 1 13 . 1 1 674 674 ARG N N 674 123.076 123.076 120.754 2.322 19229 4491 1 13 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.585 0.903 19229 4492 1 13 . 1 1 674 674 ARG C C 674 174.473 174.473 174.745 -0.272 19229 4493 1 13 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.618 0.366 19229 4494 1 13 . 1 1 674 674 ARG CB C 674 35.552 35.552 32.413 3.139 19229 4495 1 13 . 1 1 674 674 ARG H H 674 8.982 8.982 8.233 0.749 19229 4496 1 13 . 1 1 675 675 VAL N N 675 116.941 116.941 118.270 -1.329 19229 4497 1 13 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.159 0.291 19229 4498 1 13 . 1 1 675 675 VAL C C 675 171.342 171.342 175.182 -3.840 19229 4499 1 13 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.575 -1.049 19229 4500 1 13 . 1 1 675 675 VAL CB C 675 35.310 35.310 33.892 1.418 19229 4501 1 13 . 1 1 675 675 VAL H H 675 9.109 9.109 8.376 0.733 19229 4502 1 13 . 1 1 676 676 GLN N N 676 126.293 126.293 126.492 -0.199 19229 4503 1 13 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.899 -0.846 19229 4504 1 13 . 1 1 676 676 GLN C C 676 174.910 174.910 175.718 -0.808 19229 4505 1 13 . 1 1 676 676 GLN CA C 676 53.209 53.209 55.009 -1.800 19229 4506 1 13 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.839 1.261 19229 4507 1 13 . 1 1 676 676 GLN H H 676 7.755 7.755 8.701 -0.946 19229 4508 1 13 . 1 1 677 677 CYS N N 677 128.217 128.217 125.994 2.223 19229 4509 1 13 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.647 -0.574 19229 4510 1 13 . 1 1 677 677 CYS C C 677 177.471 177.471 177.036 0.435 19229 4511 1 13 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.751 0.698 19229 4512 1 13 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.833 4.894 19229 4513 1 13 . 1 1 677 677 CYS H H 677 8.366 8.366 8.760 -0.394 19229 4514 1 13 . 1 1 678 678 LEU N N 678 131.279 131.279 126.910 4.369 19229 4515 1 13 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.183 -0.345 19229 4516 1 13 . 1 1 678 678 LEU C C 678 176.718 176.718 177.416 -0.698 19229 4517 1 13 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.474 -0.625 19229 4518 1 13 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.330 0.724 19229 4519 1 13 . 1 1 678 678 LEU H H 678 8.304 8.304 7.975 0.329 19229 4520 1 13 . 1 1 679 679 LYS N N 679 120.707 120.707 118.126 2.581 19229 4521 1 13 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.105 0.230 19229 4522 1 13 . 1 1 679 679 LYS C C 679 176.160 176.160 177.280 -1.120 19229 4523 1 13 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.227 -0.241 19229 4524 1 13 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.861 0.176 19229 4525 1 13 . 1 1 679 679 LYS H H 679 8.752 8.752 8.259 0.493 19229 4526 1 13 . 1 1 680 680 CYS N N 680 118.211 118.211 113.966 4.245 19229 4527 1 13 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.543 -0.077 19229 4528 1 13 . 1 1 680 680 CYS C C 680 176.306 176.306 174.623 1.683 19229 4529 1 13 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.064 2.110 19229 4530 1 13 . 1 1 680 680 CYS CB C 680 31.346 31.346 28.207 3.139 19229 4531 1 13 . 1 1 680 680 CYS H H 680 8.230 8.230 7.507 0.723 19229 4532 1 13 . 1 1 681 681 HIS N N 681 113.392 113.392 118.073 -4.681 19229 4533 1 13 . 1 1 681 681 HIS HA H 681 4.204 4.204 4.060 0.144 19229 4534 1 13 . 1 1 681 681 HIS C C 681 173.478 173.478 172.983 0.495 19229 4535 1 13 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.257 0.733 19229 4536 1 13 . 1 1 681 681 HIS CB C 681 26.556 26.556 26.872 -0.316 19229 4537 1 13 . 1 1 681 681 HIS H H 681 7.149 7.149 8.069 -0.920 19229 4538 1 13 . 1 1 682 682 LEU N N 682 124.066 124.066 121.387 2.679 19229 4539 1 13 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.448 -0.153 19229 4540 1 13 . 1 1 682 682 LEU C C 682 176.670 176.670 175.013 1.657 19229 4541 1 13 . 1 1 682 682 LEU CA C 682 56.227 56.227 52.983 3.244 19229 4542 1 13 . 1 1 682 682 LEU CB C 682 44.035 44.035 43.242 0.793 19229 4543 1 13 . 1 1 682 682 LEU H H 682 8.172 8.172 7.395 0.777 19229 4544 1 13 . 1 1 683 683 TRP N N 683 124.208 124.208 125.801 -1.593 19229 4545 1 13 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.740 0.351 19229 4546 1 13 . 1 1 683 683 TRP C C 683 174.133 174.133 175.378 -1.245 19229 4547 1 13 . 1 1 683 683 TRP CA C 683 56.723 56.723 56.001 0.722 19229 4548 1 13 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.660 1.154 19229 4549 1 13 . 1 1 683 683 TRP H H 683 8.666 8.666 8.404 0.262 19229 4550 1 13 . 1 1 684 684 GLN N N 684 114.943 114.943 119.428 -4.485 19229 4551 1 13 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.697 -0.732 19229 4552 1 13 . 1 1 684 684 GLN C C 684 176.002 176.002 174.547 1.455 19229 4553 1 13 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.001 0.594 19229 4554 1 13 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.628 -0.873 19229 4555 1 13 . 1 1 684 684 GLN H H 684 8.655 8.655 8.723 -0.068 19229 4556 1 13 . 1 1 685 685 HIS N N 685 121.485 121.485 118.821 2.664 19229 4557 1 13 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.663 0.348 19229 4558 1 13 . 1 1 685 685 HIS C C 685 175.990 175.990 174.976 1.014 19229 4559 1 13 . 1 1 685 685 HIS CA C 685 58.024 58.024 55.881 2.143 19229 4560 1 13 . 1 1 685 685 HIS CB C 685 31.454 31.454 31.632 -0.178 19229 4561 1 13 . 1 1 685 685 HIS H H 685 9.487 9.487 8.162 1.325 19229 4562 1 13 . 1 1 686 686 ALA N N 686 125.728 125.728 126.135 -0.407 19229 4563 1 13 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.134 -0.432 19229 4564 1 13 . 1 1 686 686 ALA C C 686 179.000 179.000 179.014 -0.014 19229 4565 1 13 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.623 -0.465 19229 4566 1 13 . 1 1 686 686 ALA CB C 686 17.858 17.858 19.269 -1.411 19229 4567 1 13 . 1 1 686 686 ALA H H 686 8.436 8.436 8.672 -0.236 19229 4568 1 13 . 1 1 687 687 LYS N N 687 116.216 116.216 117.313 -1.097 19229 4569 1 13 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.329 -0.205 19229 4570 1 13 . 1 1 687 687 LYS C C 687 180.129 180.129 178.543 1.586 19229 4571 1 13 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.147 0.534 19229 4572 1 13 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.661 0.601 19229 4573 1 13 . 1 1 687 687 LYS H H 687 9.407 9.407 7.827 1.580 19229 4574 1 13 . 1 1 688 688 CYS N N 688 117.136 117.136 115.431 1.705 19229 4575 1 13 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.439 -0.510 19229 4576 1 13 . 1 1 688 688 CYS C C 688 176.439 176.439 176.011 0.428 19229 4577 1 13 . 1 1 688 688 CYS CA C 688 62.584 62.584 61.041 1.543 19229 4578 1 13 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.522 3.627 19229 4579 1 13 . 1 1 688 688 CYS H H 688 6.702 6.702 8.353 -1.651 19229 4580 1 13 . 1 1 689 689 VAL N N 689 106.705 106.705 116.655 -9.950 19229 4581 1 13 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.545 -0.131 19229 4582 1 13 . 1 1 689 689 VAL C C 689 175.007 175.007 175.478 -0.471 19229 4583 1 13 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.178 -1.018 19229 4584 1 13 . 1 1 689 689 VAL CB C 689 30.924 30.924 31.957 -1.033 19229 4585 1 13 . 1 1 689 689 VAL H H 689 6.932 6.932 7.577 -0.644 19229 4586 1 13 . 1 1 690 690 ASN N N 690 117.807 117.807 115.567 2.240 19229 4587 1 13 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.356 -0.090 19229 4588 1 13 . 1 1 690 690 ASN C C 690 173.405 173.405 174.978 -1.573 19229 4589 1 13 . 1 1 690 690 ASN CA C 690 54.147 54.147 55.058 -0.911 19229 4590 1 13 . 1 1 690 690 ASN CB C 690 37.094 37.094 37.316 -0.222 19229 4591 1 13 . 1 1 690 690 ASN H H 690 7.770 7.770 7.708 0.062 19229 4592 1 13 . 1 1 691 691 TYR N N 691 120.010 120.010 120.403 -0.393 19229 4593 1 13 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.498 -0.058 19229 4594 1 13 . 1 1 691 691 TYR C C 691 174.073 174.073 173.836 0.237 19229 4595 1 13 . 1 1 691 691 TYR CA C 691 57.695 57.695 59.108 -1.413 19229 4596 1 13 . 1 1 691 691 TYR CB C 691 40.575 40.575 40.300 0.275 19229 4597 1 13 . 1 1 691 691 TYR H H 691 8.271 8.271 7.944 0.327 19229 4598 1 13 . 1 1 692 692 ASP N N 692 126.612 126.612 120.878 5.734 19229 4599 1 13 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.852 -0.487 19229 4600 1 13 . 1 1 692 692 ASP C C 692 175.663 175.663 175.762 -0.099 19229 4601 1 13 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.622 0.212 19229 4602 1 13 . 1 1 692 692 ASP CB C 692 41.374 41.374 44.384 -3.010 19229 4603 1 13 . 1 1 692 692 ASP H H 692 7.799 7.799 7.832 -0.033 19229 4604 1 13 . 1 1 693 693 GLU N N 693 125.198 125.198 120.814 4.384 19229 4605 1 13 . 1 1 693 693 GLU HA H 693 3.924 3.924 3.956 -0.032 19229 4606 1 13 . 1 1 693 693 GLU C C 693 177.119 177.119 177.898 -0.779 19229 4607 1 13 . 1 1 693 693 GLU CA C 693 58.188 58.188 59.496 -1.308 19229 4608 1 13 . 1 1 693 693 GLU CB C 693 29.097 29.097 28.827 0.270 19229 4609 1 13 . 1 1 693 693 GLU H H 693 8.792 8.792 8.758 0.034 19229 4610 1 13 . 1 1 694 694 LYS N N 694 120.048 120.048 117.390 2.658 19229 4611 1 13 . 1 1 694 694 LYS HA H 694 4.070 4.070 4.009 0.061 19229 4612 1 13 . 1 1 694 694 LYS C C 694 177.168 177.168 177.425 -0.257 19229 4613 1 13 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.792 -1.238 19229 4614 1 13 . 1 1 694 694 LYS CB C 694 31.487 31.487 31.961 -0.474 19229 4615 1 13 . 1 1 694 694 LYS H H 694 8.294 8.294 8.483 -0.189 19229 4616 1 13 . 1 1 695 695 ASN N N 695 117.271 117.271 114.490 2.781 19229 4617 1 13 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.682 -0.072 19229 4618 1 13 . 1 1 695 695 ASN C C 695 175.517 175.517 176.064 -0.547 19229 4619 1 13 . 1 1 695 695 ASN CA C 695 52.975 52.975 53.113 -0.138 19229 4620 1 13 . 1 1 695 695 ASN CB C 695 38.673 38.673 39.128 -0.455 19229 4621 1 13 . 1 1 695 695 ASN H H 695 7.809 7.809 7.697 0.112 19229 4622 1 13 . 1 1 696 696 LEU N N 696 122.015 122.015 123.202 -1.187 19229 4623 1 13 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.413 -0.205 19229 4624 1 13 . 1 1 696 696 LEU C C 696 177.823 177.823 177.356 0.467 19229 4625 1 13 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.288 -0.087 19229 4626 1 13 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.281 -0.156 19229 4627 1 13 . 1 1 696 696 LEU H H 696 7.764 7.764 7.331 0.433 19229 4628 1 13 . 1 1 697 697 LYS N N 697 116.437 116.437 117.513 -1.076 19229 4629 1 13 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.318 -0.181 19229 4630 1 13 . 1 1 697 697 LYS C C 697 176.536 176.536 176.055 0.481 19229 4631 1 13 . 1 1 697 697 LYS CA C 697 56.957 56.957 57.165 -0.208 19229 4632 1 13 . 1 1 697 697 LYS CB C 697 32.051 32.051 31.963 0.088 19229 4633 1 13 . 1 1 697 697 LYS H H 697 8.277 8.277 7.730 0.547 19229 4634 1 13 . 1 1 698 698 ILE N N 698 117.807 117.807 117.815 -0.008 19229 4635 1 13 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.227 -0.160 19229 4636 1 13 . 1 1 698 698 ILE C C 698 175.700 175.700 176.267 -0.567 19229 4637 1 13 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.329 0.498 19229 4638 1 13 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.947 -0.781 19229 4639 1 13 . 1 1 698 698 ILE H H 698 7.650 7.650 7.415 0.235 19229 4640 1 13 . 1 1 699 699 LYS N N 699 123.286 123.286 121.266 2.020 19229 4641 1 13 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.721 0.034 19229 4642 1 13 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.324 -0.927 19229 4643 1 13 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.328 1.273 19229 4644 1 13 . 1 1 699 699 LYS H H 699 8.121 8.121 8.103 0.018 19229 4645 1 13 . 1 1 700 700 PRO HA H 700 4.250 4.250 4.117 0.133 19229 4646 1 13 . 1 1 700 700 PRO C C 700 175.213 175.213 175.855 -0.642 19229 4647 1 13 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.246 -0.446 19229 4648 1 13 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.874 0.848 19229 4649 1 13 . 1 1 701 701 PHE N N 701 122.959 122.959 117.678 5.281 19229 4650 1 13 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.593 -0.346 19229 4651 1 13 . 1 1 701 701 PHE C C 701 171.657 171.657 173.101 -1.444 19229 4652 1 13 . 1 1 701 701 PHE CA C 701 58.140 58.140 56.055 2.085 19229 4653 1 13 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.550 -2.102 19229 4654 1 13 . 1 1 701 701 PHE H H 701 8.042 8.042 7.257 0.785 19229 4655 1 13 . 1 1 702 702 TYR N N 702 123.854 123.854 121.091 2.763 19229 4656 1 13 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.811 0.219 19229 4657 1 13 . 1 1 702 702 TYR C C 702 173.915 173.915 175.428 -1.513 19229 4658 1 13 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.957 -2.151 19229 4659 1 13 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.203 -1.134 19229 4660 1 13 . 1 1 702 702 TYR H H 702 6.754 6.754 7.866 -1.112 19229 4661 1 13 . 1 1 703 703 CYS N N 703 124.963 124.963 119.789 5.174 19229 4662 1 13 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.878 -0.625 19229 4663 1 13 . 1 1 703 703 CYS CA C 703 57.300 57.300 55.901 1.399 19229 4664 1 13 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.909 1.042 19229 4665 1 13 . 1 1 703 703 CYS H H 703 9.298 9.298 8.514 0.784 19229 4666 1 13 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.178 -0.131 19229 4667 1 13 . 1 1 704 704 PRO C C 704 178.818 178.818 178.051 0.767 19229 4668 1 13 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.443 0.208 19229 4669 1 13 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.776 0.215 19229 4670 1 13 . 1 1 705 705 HIS N N 705 115.532 115.532 116.759 -1.227 19229 4671 1 13 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.393 -0.111 19229 4672 1 13 . 1 1 705 705 HIS C C 705 177.689 177.689 177.290 0.399 19229 4673 1 13 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.739 -1.093 19229 4674 1 13 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.469 0.257 19229 4675 1 13 . 1 1 705 705 HIS H H 705 7.843 7.843 8.475 -0.632 19229 4676 1 13 . 1 1 706 706 CYS N N 706 124.314 124.314 118.175 6.139 19229 4677 1 13 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.256 -0.485 19229 4678 1 13 . 1 1 706 706 CYS C C 706 177.204 177.204 177.095 0.109 19229 4679 1 13 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.071 1.176 19229 4680 1 13 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.361 3.082 19229 4681 1 13 . 1 1 706 706 CYS H H 706 8.442 8.442 7.988 0.454 19229 4682 1 13 . 1 1 707 707 LEU N N 707 119.208 119.208 120.980 -1.772 19229 4683 1 13 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.940 -0.190 19229 4684 1 13 . 1 1 707 707 LEU C C 707 178.903 178.903 179.073 -0.170 19229 4685 1 13 . 1 1 707 707 LEU CA C 707 57.202 57.202 57.978 -0.776 19229 4686 1 13 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.550 0.433 19229 4687 1 13 . 1 1 707 707 LEU H H 707 8.162 8.162 7.419 0.743 19229 4688 1 13 . 1 1 708 708 VAL N N 708 116.959 116.959 118.910 -1.951 19229 4689 1 13 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.693 0.056 19229 4690 1 13 . 1 1 708 708 VAL C C 708 176.876 176.876 177.457 -0.581 19229 4691 1 13 . 1 1 708 708 VAL CA C 708 64.077 64.077 65.790 -1.713 19229 4692 1 13 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.312 0.672 19229 4693 1 13 . 1 1 708 708 VAL H H 708 7.161 7.161 7.931 -0.770 19229 4694 1 13 . 1 1 709 709 ALA N N 709 122.758 122.758 121.646 1.112 19229 4695 1 13 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.074 0.039 19229 4696 1 13 . 1 1 709 709 ALA C C 709 177.859 177.859 178.626 -0.767 19229 4697 1 13 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.480 -1.787 19229 4698 1 13 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.925 -0.189 19229 4699 1 13 . 1 1 709 709 ALA H H 709 7.408 7.408 7.617 -0.209 19229 4700 1 13 . 1 1 710 710 MET N N 710 117.242 117.242 116.385 0.857 19229 4701 1 13 . 1 1 710 710 MET HA H 710 4.197 4.197 4.371 -0.174 19229 4702 1 13 . 1 1 710 710 MET C C 710 175.832 175.832 176.707 -0.875 19229 4703 1 13 . 1 1 710 710 MET CA C 710 55.557 55.557 56.665 -1.108 19229 4704 1 13 . 1 1 710 710 MET CB C 710 33.440 33.440 33.030 0.410 19229 4705 1 13 . 1 1 710 710 MET H H 710 7.586 7.586 7.362 0.224 19229 4706 1 13 . 1 1 711 711 GLU N N 711 122.546 122.546 120.085 2.461 19229 4707 1 13 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.470 -0.083 19229 4708 1 13 . 1 1 711 711 GLU CA C 711 54.384 54.384 54.808 -0.424 19229 4709 1 13 . 1 1 711 711 GLU CB C 711 29.444 29.444 29.279 0.166 19229 4710 1 13 . 1 1 711 711 GLU H H 711 7.828 7.828 7.522 0.306 19229 4711 1 13 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.452 -0.120 19229 4712 1 13 . 1 1 712 712 PRO C C 712 176.876 176.876 176.399 0.477 19229 4713 1 13 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.863 0.131 19229 4714 1 13 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.439 -0.517 19229 4715 1 13 . 1 1 713 713 VAL N N 713 120.328 120.328 120.095 0.233 19229 4716 1 13 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.350 -0.357 19229 4717 1 13 . 1 1 713 713 VAL C C 713 176.257 176.257 176.822 -0.565 19229 4718 1 13 . 1 1 713 713 VAL CA C 713 62.133 62.133 60.744 1.389 19229 4719 1 13 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.658 -0.043 19229 4720 1 13 . 1 1 713 713 VAL H H 713 8.157 8.157 8.143 0.013 19229 4721 1 13 . 1 1 714 714 SER N N 714 119.503 119.503 117.792 1.711 19229 4722 1 13 . 1 1 714 714 SER HA H 714 4.440 4.440 4.348 0.092 19229 4723 1 13 . 1 1 714 714 SER C C 714 174.619 174.619 174.034 0.585 19229 4724 1 13 . 1 1 714 714 SER CA C 714 57.976 57.976 59.349 -1.373 19229 4725 1 13 . 1 1 714 714 SER CB C 714 63.816 63.816 63.377 0.439 19229 4726 1 13 . 1 1 714 714 SER H H 714 8.368 8.368 8.315 0.053 19229 4727 1 13 . 1 1 715 715 THR N N 715 116.281 116.281 120.693 -4.412 19229 4728 1 13 . 1 1 715 715 THR HA H 715 4.261 4.261 4.560 -0.299 19229 4729 1 13 . 1 1 715 715 THR C C 715 173.559 173.559 173.766 -0.207 19229 4730 1 13 . 1 1 715 715 THR CA C 715 61.499 61.499 61.736 -0.237 19229 4731 1 13 . 1 1 715 715 THR CB C 715 69.476 69.476 70.170 -0.694 19229 4732 1 13 . 1 1 715 715 THR H H 715 8.141 8.141 8.264 -0.123 19229 4733 1 14 . 1 1 653 653 ASN N N 653 120.067 120.067 123.052 -2.985 19229 4734 1 14 . 1 1 653 653 ASN HA H 653 4.588 4.588 5.092 -0.504 19229 4735 1 14 . 1 1 653 653 ASN C C 653 175.383 175.383 174.618 0.765 19229 4736 1 14 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.193 0.001 19229 4737 1 14 . 1 1 653 653 ASN CB C 653 38.813 38.813 39.512 -0.699 19229 4738 1 14 . 1 1 653 653 ASN H H 653 8.357 8.357 8.532 -0.175 19229 4739 1 14 . 1 1 654 654 THR N N 654 113.812 113.812 114.842 -1.030 19229 4740 1 14 . 1 1 654 654 THR HA H 654 4.260 4.260 4.586 -0.326 19229 4741 1 14 . 1 1 654 654 THR C C 654 174.825 174.825 174.955 -0.130 19229 4742 1 14 . 1 1 654 654 THR CA C 654 61.806 61.806 61.656 0.150 19229 4743 1 14 . 1 1 654 654 THR CB C 654 69.645 69.645 69.804 -0.159 19229 4744 1 14 . 1 1 654 654 THR H H 654 8.040 8.040 8.388 -0.348 19229 4745 1 14 . 1 1 655 655 SER N N 655 117.231 117.231 122.770 -5.539 19229 4746 1 14 . 1 1 655 655 SER HA H 655 4.367 4.367 4.443 -0.076 19229 4747 1 14 . 1 1 655 655 SER C C 655 174.218 174.218 173.722 0.496 19229 4748 1 14 . 1 1 655 655 SER CA C 655 58.681 58.681 57.955 0.726 19229 4749 1 14 . 1 1 655 655 SER CB C 655 63.586 63.586 63.367 0.219 19229 4750 1 14 . 1 1 655 655 SER H H 655 8.277 8.277 8.551 -0.274 19229 4751 1 14 . 1 1 656 656 ASP N N 656 121.799 121.799 125.410 -3.611 19229 4752 1 14 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.466 0.065 19229 4753 1 14 . 1 1 656 656 ASP C C 656 175.250 175.250 175.462 -0.212 19229 4754 1 14 . 1 1 656 656 ASP CA C 656 54.385 54.385 54.007 0.378 19229 4755 1 14 . 1 1 656 656 ASP CB C 656 41.069 41.069 41.788 -0.719 19229 4756 1 14 . 1 1 656 656 ASP H H 656 8.197 8.197 8.227 -0.030 19229 4757 1 14 . 1 1 657 657 TYR N N 657 122.165 122.165 122.180 -0.015 19229 4758 1 14 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.530 -0.084 19229 4759 1 14 . 1 1 657 657 TYR C C 657 174.607 174.607 175.906 -1.299 19229 4760 1 14 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.766 0.922 19229 4761 1 14 . 1 1 657 657 TYR CB C 657 39.025 39.025 39.753 -0.728 19229 4762 1 14 . 1 1 657 657 TYR H H 657 8.023 8.023 8.422 -0.399 19229 4763 1 14 . 1 1 658 658 ARG N N 658 128.309 128.309 122.236 6.073 19229 4764 1 14 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.125 0.252 19229 4765 1 14 . 1 1 658 658 ARG C C 658 172.871 172.871 175.563 -2.692 19229 4766 1 14 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.839 -0.399 19229 4767 1 14 . 1 1 658 658 ARG CB C 658 32.262 32.262 29.678 2.583 19229 4768 1 14 . 1 1 658 658 ARG H H 658 8.637 8.637 8.515 0.122 19229 4769 1 14 . 1 1 659 659 PHE N N 659 125.304 125.304 121.857 3.447 19229 4770 1 14 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.701 0.224 19229 4771 1 14 . 1 1 659 659 PHE C C 659 174.558 174.558 173.857 0.701 19229 4772 1 14 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.111 0.360 19229 4773 1 14 . 1 1 659 659 PHE CB C 659 41.719 41.719 39.464 2.255 19229 4774 1 14 . 1 1 659 659 PHE H H 659 8.551 8.551 7.711 0.840 19229 4775 1 14 . 1 1 660 660 GLU N N 660 128.804 128.804 123.892 4.912 19229 4776 1 14 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.467 -0.513 19229 4777 1 14 . 1 1 660 660 GLU C C 660 172.361 172.361 174.722 -2.361 19229 4778 1 14 . 1 1 660 660 GLU CA C 660 56.471 56.471 55.485 0.986 19229 4779 1 14 . 1 1 660 660 GLU CB C 660 31.644 31.644 32.294 -0.650 19229 4780 1 14 . 1 1 660 660 GLU H H 660 7.833 7.833 7.998 -0.165 19229 4781 1 14 . 1 1 661 661 CYS N N 661 127.001 127.001 125.091 1.910 19229 4782 1 14 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.794 -0.436 19229 4783 1 14 . 1 1 661 661 CYS C C 661 176.221 176.221 177.302 -1.081 19229 4784 1 14 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.347 0.698 19229 4785 1 14 . 1 1 661 661 CYS CB C 661 30.839 30.839 27.677 3.162 19229 4786 1 14 . 1 1 661 661 CYS H H 661 8.356 8.356 8.729 -0.373 19229 4787 1 14 . 1 1 662 662 ILE N N 662 127.765 127.765 124.184 3.581 19229 4788 1 14 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.817 0.311 19229 4789 1 14 . 1 1 662 662 ILE C C 662 176.439 176.439 176.362 0.077 19229 4790 1 14 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.759 -0.453 19229 4791 1 14 . 1 1 662 662 ILE CB C 662 38.462 38.462 36.774 1.688 19229 4792 1 14 . 1 1 662 662 ILE H H 662 8.075 8.075 8.722 -0.647 19229 4793 1 14 . 1 1 663 663 CYS N N 663 120.000 120.000 117.008 2.992 19229 4794 1 14 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.763 -0.225 19229 4795 1 14 . 1 1 663 663 CYS C C 663 177.046 177.046 176.321 0.725 19229 4796 1 14 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.685 0.207 19229 4797 1 14 . 1 1 663 663 CYS CB C 663 30.994 30.994 28.204 2.790 19229 4798 1 14 . 1 1 663 663 CYS H H 663 7.661 7.661 8.221 -0.560 19229 4799 1 14 . 1 1 664 664 GLY N N 664 110.372 110.372 112.685 -2.313 19229 4800 1 14 . 1 1 664 664 GLY C C 664 173.818 173.818 174.315 -0.497 19229 4801 1 14 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.704 0.155 19229 4802 1 14 . 1 1 664 664 GLY H H 664 7.855 7.855 8.419 -0.564 19229 4803 1 14 . 1 1 665 665 GLU N N 665 122.002 122.002 119.480 2.522 19229 4804 1 14 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.549 -0.196 19229 4805 1 14 . 1 1 665 665 GLU C C 665 175.990 175.990 176.745 -0.755 19229 4806 1 14 . 1 1 665 665 GLU CA C 665 56.286 56.286 56.961 -0.675 19229 4807 1 14 . 1 1 665 665 GLU CB C 665 31.276 31.276 31.023 0.253 19229 4808 1 14 . 1 1 665 665 GLU H H 665 8.276 8.276 8.208 0.068 19229 4809 1 14 . 1 1 666 666 LEU N N 666 122.355 122.355 119.271 3.084 19229 4810 1 14 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.614 -0.265 19229 4811 1 14 . 1 1 666 666 LEU C C 666 176.816 176.816 174.794 2.022 19229 4812 1 14 . 1 1 666 666 LEU CA C 666 54.595 54.595 54.028 0.567 19229 4813 1 14 . 1 1 666 666 LEU CB C 666 42.549 42.549 44.936 -2.387 19229 4814 1 14 . 1 1 666 666 LEU H H 666 8.341 8.341 8.369 -0.028 19229 4815 1 14 . 1 1 667 667 ASP N N 667 121.075 121.075 119.521 1.554 19229 4816 1 14 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.699 -0.653 19229 4817 1 14 . 1 1 667 667 ASP C C 667 175.432 175.432 174.494 0.938 19229 4818 1 14 . 1 1 667 667 ASP CA C 667 54.172 54.172 54.337 -0.165 19229 4819 1 14 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.401 -0.332 19229 4820 1 14 . 1 1 667 667 ASP H H 667 8.325 8.325 8.587 -0.262 19229 4821 1 14 . 1 1 668 668 GLN N N 668 121.978 121.978 117.823 4.155 19229 4822 1 14 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.696 -0.499 19229 4823 1 14 . 1 1 668 668 GLN C C 668 175.420 175.420 175.594 -0.174 19229 4824 1 14 . 1 1 668 668 GLN CA C 668 55.225 55.225 53.299 1.926 19229 4825 1 14 . 1 1 668 668 GLN CB C 668 30.149 30.149 32.420 -2.271 19229 4826 1 14 . 1 1 668 668 GLN H H 668 8.083 8.083 8.248 -0.165 19229 4827 1 14 . 1 1 669 669 ILE N N 669 120.079 120.079 123.765 -3.686 19229 4828 1 14 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.059 -0.181 19229 4829 1 14 . 1 1 669 669 ILE C C 669 175.347 175.347 175.124 0.223 19229 4830 1 14 . 1 1 669 669 ILE CA C 669 61.499 61.499 62.006 -0.507 19229 4831 1 14 . 1 1 669 669 ILE CB C 669 37.123 37.123 36.279 0.844 19229 4832 1 14 . 1 1 669 669 ILE H H 669 8.155 8.155 8.691 -0.536 19229 4833 1 14 . 1 1 670 670 ASP N N 670 123.410 123.410 126.024 -2.614 19229 4834 1 14 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.649 -0.223 19229 4835 1 14 . 1 1 670 670 ASP C C 670 176.124 176.124 175.619 0.505 19229 4836 1 14 . 1 1 670 670 ASP CA C 670 53.609 53.609 53.648 -0.039 19229 4837 1 14 . 1 1 670 670 ASP CB C 670 41.139 41.139 42.963 -1.824 19229 4838 1 14 . 1 1 670 670 ASP H H 670 7.992 7.992 8.203 -0.211 19229 4839 1 14 . 1 1 671 671 ARG N N 671 118.285 118.285 118.937 -0.652 19229 4840 1 14 . 1 1 671 671 ARG HA H 671 4.169 4.169 3.917 0.252 19229 4841 1 14 . 1 1 671 671 ARG C C 671 176.476 176.476 175.694 0.782 19229 4842 1 14 . 1 1 671 671 ARG CA C 671 56.038 56.038 58.055 -2.017 19229 4843 1 14 . 1 1 671 671 ARG CB C 671 29.552 29.552 28.636 0.916 19229 4844 1 14 . 1 1 671 671 ARG H H 671 8.274 8.274 8.767 -0.493 19229 4845 1 14 . 1 1 672 672 LYS N N 672 122.196 122.196 120.866 1.330 19229 4846 1 14 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.723 -0.237 19229 4847 1 14 . 1 1 672 672 LYS CA C 672 54.947 54.947 53.034 1.913 19229 4848 1 14 . 1 1 672 672 LYS CB C 672 32.262 32.262 33.035 -0.773 19229 4849 1 14 . 1 1 672 672 LYS H H 672 8.060 8.060 8.113 -0.053 19229 4850 1 14 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.508 -0.110 19229 4851 1 14 . 1 1 673 673 PRO C C 673 177.204 177.204 175.967 1.237 19229 4852 1 14 . 1 1 673 673 PRO CA C 673 63.964 63.964 62.317 1.647 19229 4853 1 14 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.338 0.200 19229 4854 1 14 . 1 1 674 674 ARG N N 674 123.076 123.076 119.095 3.981 19229 4855 1 14 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.691 0.797 19229 4856 1 14 . 1 1 674 674 ARG C C 674 174.473 174.473 174.897 -0.424 19229 4857 1 14 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.747 0.237 19229 4858 1 14 . 1 1 674 674 ARG CB C 674 35.552 35.552 33.275 2.277 19229 4859 1 14 . 1 1 674 674 ARG H H 674 8.982 8.982 8.283 0.699 19229 4860 1 14 . 1 1 675 675 VAL N N 675 116.941 116.941 119.179 -2.238 19229 4861 1 14 . 1 1 675 675 VAL HA H 675 4.450 4.450 3.962 0.488 19229 4862 1 14 . 1 1 675 675 VAL C C 675 171.342 171.342 174.688 -3.346 19229 4863 1 14 . 1 1 675 675 VAL CA C 675 59.526 59.526 59.941 -0.415 19229 4864 1 14 . 1 1 675 675 VAL CB C 675 35.310 35.310 33.632 1.678 19229 4865 1 14 . 1 1 675 675 VAL H H 675 9.109 9.109 9.085 0.024 19229 4866 1 14 . 1 1 676 676 GLN N N 676 126.293 126.293 125.128 1.165 19229 4867 1 14 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.797 -0.744 19229 4868 1 14 . 1 1 676 676 GLN C C 676 174.910 174.910 175.400 -0.490 19229 4869 1 14 . 1 1 676 676 GLN CA C 676 53.209 53.209 54.557 -1.348 19229 4870 1 14 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.317 1.783 19229 4871 1 14 . 1 1 676 676 GLN H H 676 7.755 7.755 8.475 -0.720 19229 4872 1 14 . 1 1 677 677 CYS N N 677 128.217 128.217 127.099 1.118 19229 4873 1 14 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.826 -0.753 19229 4874 1 14 . 1 1 677 677 CYS C C 677 177.471 177.471 176.970 0.501 19229 4875 1 14 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.403 1.046 19229 4876 1 14 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.593 5.135 19229 4877 1 14 . 1 1 677 677 CYS H H 677 8.366 8.366 8.717 -0.351 19229 4878 1 14 . 1 1 678 678 LEU N N 678 131.279 131.279 127.369 3.910 19229 4879 1 14 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.083 -0.245 19229 4880 1 14 . 1 1 678 678 LEU C C 678 176.718 176.718 177.435 -0.717 19229 4881 1 14 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.334 -0.485 19229 4882 1 14 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.448 0.606 19229 4883 1 14 . 1 1 678 678 LEU H H 678 8.304 8.304 8.105 0.199 19229 4884 1 14 . 1 1 679 679 LYS N N 679 120.707 120.707 117.916 2.791 19229 4885 1 14 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.078 0.257 19229 4886 1 14 . 1 1 679 679 LYS C C 679 176.160 176.160 177.022 -0.862 19229 4887 1 14 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.256 -0.270 19229 4888 1 14 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.571 0.466 19229 4889 1 14 . 1 1 679 679 LYS H H 679 8.752 8.752 8.286 0.466 19229 4890 1 14 . 1 1 680 680 CYS N N 680 118.211 118.211 114.192 4.019 19229 4891 1 14 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.592 -0.126 19229 4892 1 14 . 1 1 680 680 CYS C C 680 176.306 176.306 174.427 1.879 19229 4893 1 14 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.338 1.836 19229 4894 1 14 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.171 4.175 19229 4895 1 14 . 1 1 680 680 CYS H H 680 8.230 8.230 7.694 0.536 19229 4896 1 14 . 1 1 681 681 HIS N N 681 113.392 113.392 117.299 -3.907 19229 4897 1 14 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.932 0.272 19229 4898 1 14 . 1 1 681 681 HIS C C 681 173.478 173.478 173.111 0.367 19229 4899 1 14 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.695 0.295 19229 4900 1 14 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.067 -0.511 19229 4901 1 14 . 1 1 681 681 HIS H H 681 7.149 7.149 8.060 -0.911 19229 4902 1 14 . 1 1 682 682 LEU N N 682 124.066 124.066 121.138 2.928 19229 4903 1 14 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.311 -0.016 19229 4904 1 14 . 1 1 682 682 LEU C C 682 176.670 176.670 175.270 1.400 19229 4905 1 14 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.162 3.065 19229 4906 1 14 . 1 1 682 682 LEU CB C 682 44.035 44.035 42.601 1.434 19229 4907 1 14 . 1 1 682 682 LEU H H 682 8.172 8.172 7.233 0.939 19229 4908 1 14 . 1 1 683 683 TRP N N 683 124.208 124.208 126.685 -2.477 19229 4909 1 14 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.716 0.375 19229 4910 1 14 . 1 1 683 683 TRP C C 683 174.133 174.133 175.241 -1.108 19229 4911 1 14 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.812 0.911 19229 4912 1 14 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.313 1.501 19229 4913 1 14 . 1 1 683 683 TRP H H 683 8.666 8.666 8.424 0.242 19229 4914 1 14 . 1 1 684 684 GLN N N 684 114.943 114.943 120.390 -5.447 19229 4915 1 14 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.743 -0.778 19229 4916 1 14 . 1 1 684 684 GLN C C 684 176.002 176.002 174.734 1.268 19229 4917 1 14 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.920 -0.325 19229 4918 1 14 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.800 -1.045 19229 4919 1 14 . 1 1 684 684 GLN H H 684 8.655 8.655 8.655 0.000 19229 4920 1 14 . 1 1 685 685 HIS N N 685 121.485 121.485 122.197 -0.712 19229 4921 1 14 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.491 0.520 19229 4922 1 14 . 1 1 685 685 HIS C C 685 175.990 175.990 175.761 0.229 19229 4923 1 14 . 1 1 685 685 HIS CA C 685 58.024 58.024 57.815 0.209 19229 4924 1 14 . 1 1 685 685 HIS CB C 685 31.454 31.454 30.544 0.909 19229 4925 1 14 . 1 1 685 685 HIS H H 685 9.487 9.487 8.297 1.190 19229 4926 1 14 . 1 1 686 686 ALA N N 686 125.728 125.728 128.427 -2.699 19229 4927 1 14 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.094 -0.392 19229 4928 1 14 . 1 1 686 686 ALA C C 686 179.000 179.000 179.215 -0.215 19229 4929 1 14 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.872 -0.714 19229 4930 1 14 . 1 1 686 686 ALA CB C 686 17.858 17.858 19.068 -1.210 19229 4931 1 14 . 1 1 686 686 ALA H H 686 8.436 8.436 8.599 -0.163 19229 4932 1 14 . 1 1 687 687 LYS N N 687 116.216 116.216 117.700 -1.484 19229 4933 1 14 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.321 -0.197 19229 4934 1 14 . 1 1 687 687 LYS C C 687 180.129 180.129 179.229 0.900 19229 4935 1 14 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.444 0.237 19229 4936 1 14 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.676 0.586 19229 4937 1 14 . 1 1 687 687 LYS H H 687 9.407 9.407 8.335 1.072 19229 4938 1 14 . 1 1 688 688 CYS N N 688 117.136 117.136 115.981 1.155 19229 4939 1 14 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.431 -0.502 19229 4940 1 14 . 1 1 688 688 CYS C C 688 176.439 176.439 176.168 0.271 19229 4941 1 14 . 1 1 688 688 CYS CA C 688 62.584 62.584 61.421 1.163 19229 4942 1 14 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.290 3.859 19229 4943 1 14 . 1 1 688 688 CYS H H 688 6.702 6.702 8.426 -1.724 19229 4944 1 14 . 1 1 689 689 VAL N N 689 106.705 106.705 115.125 -8.420 19229 4945 1 14 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.379 0.035 19229 4946 1 14 . 1 1 689 689 VAL C C 689 175.007 175.007 175.187 -0.180 19229 4947 1 14 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.148 -0.988 19229 4948 1 14 . 1 1 689 689 VAL CB C 689 30.924 30.924 32.130 -1.206 19229 4949 1 14 . 1 1 689 689 VAL H H 689 6.932 6.932 7.372 -0.440 19229 4950 1 14 . 1 1 690 690 ASN N N 690 117.807 117.807 115.428 2.379 19229 4951 1 14 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.343 -0.077 19229 4952 1 14 . 1 1 690 690 ASN C C 690 173.405 173.405 174.711 -1.306 19229 4953 1 14 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.824 -0.677 19229 4954 1 14 . 1 1 690 690 ASN CB C 690 37.094 37.094 37.054 0.040 19229 4955 1 14 . 1 1 690 690 ASN H H 690 7.770 7.770 7.675 0.095 19229 4956 1 14 . 1 1 691 691 TYR N N 691 120.010 120.010 120.461 -0.451 19229 4957 1 14 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.599 -0.159 19229 4958 1 14 . 1 1 691 691 TYR C C 691 174.073 174.073 173.755 0.318 19229 4959 1 14 . 1 1 691 691 TYR CA C 691 57.695 57.695 58.584 -0.888 19229 4960 1 14 . 1 1 691 691 TYR CB C 691 40.575 40.575 40.790 -0.215 19229 4961 1 14 . 1 1 691 691 TYR H H 691 8.271 8.271 8.201 0.070 19229 4962 1 14 . 1 1 692 692 ASP N N 692 126.612 126.612 119.038 7.574 19229 4963 1 14 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.774 -0.409 19229 4964 1 14 . 1 1 692 692 ASP C C 692 175.663 175.663 175.286 0.377 19229 4965 1 14 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.429 0.405 19229 4966 1 14 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.936 -2.562 19229 4967 1 14 . 1 1 692 692 ASP H H 692 7.799 7.799 7.614 0.185 19229 4968 1 14 . 1 1 693 693 GLU N N 693 125.198 125.198 117.172 8.026 19229 4969 1 14 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.101 -0.177 19229 4970 1 14 . 1 1 693 693 GLU C C 693 177.119 177.119 178.227 -1.108 19229 4971 1 14 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.872 -0.684 19229 4972 1 14 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.349 -0.253 19229 4973 1 14 . 1 1 693 693 GLU H H 693 8.792 8.792 8.675 0.117 19229 4974 1 14 . 1 1 694 694 LYS N N 694 120.048 120.048 118.813 1.235 19229 4975 1 14 . 1 1 694 694 LYS HA H 694 4.070 4.070 3.998 0.072 19229 4976 1 14 . 1 1 694 694 LYS C C 694 177.168 177.168 178.124 -0.956 19229 4977 1 14 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.912 -1.358 19229 4978 1 14 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.081 -0.594 19229 4979 1 14 . 1 1 694 694 LYS H H 694 8.294 8.294 7.995 0.299 19229 4980 1 14 . 1 1 695 695 ASN N N 695 117.271 117.271 114.734 2.537 19229 4981 1 14 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.692 -0.082 19229 4982 1 14 . 1 1 695 695 ASN C C 695 175.517 175.517 176.529 -1.012 19229 4983 1 14 . 1 1 695 695 ASN CA C 695 52.975 52.975 53.520 -0.546 19229 4984 1 14 . 1 1 695 695 ASN CB C 695 38.673 38.673 39.108 -0.435 19229 4985 1 14 . 1 1 695 695 ASN H H 695 7.809 7.809 8.067 -0.258 19229 4986 1 14 . 1 1 696 696 LEU N N 696 122.015 122.015 121.990 0.025 19229 4987 1 14 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.552 -0.344 19229 4988 1 14 . 1 1 696 696 LEU C C 696 177.823 177.823 177.833 -0.010 19229 4989 1 14 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.528 -0.326 19229 4990 1 14 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.246 -0.121 19229 4991 1 14 . 1 1 696 696 LEU H H 696 7.764 7.764 7.532 0.232 19229 4992 1 14 . 1 1 697 697 LYS N N 697 116.437 116.437 117.900 -1.463 19229 4993 1 14 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.113 0.024 19229 4994 1 14 . 1 1 697 697 LYS C C 697 176.536 176.536 177.841 -1.305 19229 4995 1 14 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.863 -1.906 19229 4996 1 14 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.334 -0.283 19229 4997 1 14 . 1 1 697 697 LYS H H 697 8.277 8.277 7.595 0.682 19229 4998 1 14 . 1 1 698 698 ILE N N 698 117.807 117.807 117.213 0.594 19229 4999 1 14 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.183 -0.116 19229 5000 1 14 . 1 1 698 698 ILE C C 698 175.700 175.700 176.742 -1.042 19229 5001 1 14 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.788 0.039 19229 5002 1 14 . 1 1 698 698 ILE CB C 698 39.166 39.166 38.855 0.311 19229 5003 1 14 . 1 1 698 698 ILE H H 698 7.650 7.650 7.389 0.261 19229 5004 1 14 . 1 1 699 699 LYS N N 699 123.286 123.286 120.599 2.687 19229 5005 1 14 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.566 0.189 19229 5006 1 14 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.773 -1.376 19229 5007 1 14 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.182 1.419 19229 5008 1 14 . 1 1 699 699 LYS H H 699 8.121 8.121 8.119 0.002 19229 5009 1 14 . 1 1 700 700 PRO HA H 700 4.250 4.250 3.939 0.311 19229 5010 1 14 . 1 1 700 700 PRO C C 700 175.213 175.213 175.604 -0.391 19229 5011 1 14 . 1 1 700 700 PRO CA C 700 62.800 62.800 62.924 -0.124 19229 5012 1 14 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.821 0.901 19229 5013 1 14 . 1 1 701 701 PHE N N 701 122.959 122.959 117.045 5.914 19229 5014 1 14 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.451 -0.204 19229 5015 1 14 . 1 1 701 701 PHE C C 701 171.657 171.657 173.205 -1.548 19229 5016 1 14 . 1 1 701 701 PHE CA C 701 58.140 58.140 55.891 2.249 19229 5017 1 14 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.281 -1.833 19229 5018 1 14 . 1 1 701 701 PHE H H 701 8.042 8.042 7.222 0.820 19229 5019 1 14 . 1 1 702 702 TYR N N 702 123.854 123.854 121.048 2.806 19229 5020 1 14 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.813 0.217 19229 5021 1 14 . 1 1 702 702 TYR C C 702 173.915 173.915 175.395 -1.480 19229 5022 1 14 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.830 -2.024 19229 5023 1 14 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.083 -1.014 19229 5024 1 14 . 1 1 702 702 TYR H H 702 6.754 6.754 7.845 -1.091 19229 5025 1 14 . 1 1 703 703 CYS N N 703 124.963 124.963 119.948 5.015 19229 5026 1 14 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.854 -0.601 19229 5027 1 14 . 1 1 703 703 CYS CA C 703 57.300 57.300 56.131 1.169 19229 5028 1 14 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.706 1.245 19229 5029 1 14 . 1 1 703 703 CYS H H 703 9.298 9.298 8.511 0.787 19229 5030 1 14 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.172 -0.125 19229 5031 1 14 . 1 1 704 704 PRO C C 704 178.818 178.818 178.093 0.725 19229 5032 1 14 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.484 0.168 19229 5033 1 14 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.561 0.430 19229 5034 1 14 . 1 1 705 705 HIS N N 705 115.532 115.532 116.765 -1.233 19229 5035 1 14 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.328 -0.046 19229 5036 1 14 . 1 1 705 705 HIS C C 705 177.689 177.689 176.978 0.711 19229 5037 1 14 . 1 1 705 705 HIS CA C 705 58.646 58.646 58.763 -0.117 19229 5038 1 14 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.848 -0.122 19229 5039 1 14 . 1 1 705 705 HIS H H 705 7.843 7.843 8.467 -0.624 19229 5040 1 14 . 1 1 706 706 CYS N N 706 124.314 124.314 117.631 6.683 19229 5041 1 14 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.055 -0.284 19229 5042 1 14 . 1 1 706 706 CYS C C 706 177.204 177.204 177.023 0.181 19229 5043 1 14 . 1 1 706 706 CYS CA C 706 64.247 64.247 62.949 1.298 19229 5044 1 14 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.091 3.352 19229 5045 1 14 . 1 1 706 706 CYS H H 706 8.442 8.442 8.044 0.398 19229 5046 1 14 . 1 1 707 707 LEU N N 707 119.208 119.208 121.095 -1.887 19229 5047 1 14 . 1 1 707 707 LEU HA H 707 3.750 3.750 4.028 -0.278 19229 5048 1 14 . 1 1 707 707 LEU C C 707 178.903 178.903 178.513 0.390 19229 5049 1 14 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.109 -0.907 19229 5050 1 14 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.608 0.375 19229 5051 1 14 . 1 1 707 707 LEU H H 707 8.162 8.162 7.440 0.722 19229 5052 1 14 . 1 1 708 708 VAL N N 708 116.959 116.959 117.438 -0.479 19229 5053 1 14 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.843 -0.094 19229 5054 1 14 . 1 1 708 708 VAL C C 708 176.876 176.876 176.944 -0.068 19229 5055 1 14 . 1 1 708 708 VAL CA C 708 64.077 64.077 64.269 -0.192 19229 5056 1 14 . 1 1 708 708 VAL CB C 708 31.984 31.984 30.994 0.990 19229 5057 1 14 . 1 1 708 708 VAL H H 708 7.161 7.161 7.866 -0.705 19229 5058 1 14 . 1 1 709 709 ALA N N 709 122.758 122.758 121.854 0.904 19229 5059 1 14 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.067 0.046 19229 5060 1 14 . 1 1 709 709 ALA C C 709 177.859 177.859 178.463 -0.604 19229 5061 1 14 . 1 1 709 709 ALA CA C 709 52.693 52.693 53.517 -0.824 19229 5062 1 14 . 1 1 709 709 ALA CB C 709 18.736 18.736 19.061 -0.325 19229 5063 1 14 . 1 1 709 709 ALA H H 709 7.408 7.408 7.511 -0.103 19229 5064 1 14 . 1 1 710 710 MET N N 710 117.242 117.242 117.591 -0.349 19229 5065 1 14 . 1 1 710 710 MET HA H 710 4.197 4.197 4.245 -0.048 19229 5066 1 14 . 1 1 710 710 MET C C 710 175.832 175.832 176.503 -0.671 19229 5067 1 14 . 1 1 710 710 MET CA C 710 55.557 55.557 56.984 -1.427 19229 5068 1 14 . 1 1 710 710 MET CB C 710 33.440 33.440 33.486 -0.046 19229 5069 1 14 . 1 1 710 710 MET H H 710 7.586 7.586 7.750 -0.164 19229 5070 1 14 . 1 1 711 711 GLU N N 711 122.546 122.546 115.373 7.173 19229 5071 1 14 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.069 0.318 19229 5072 1 14 . 1 1 711 711 GLU CA C 711 54.384 54.384 56.258 -1.875 19229 5073 1 14 . 1 1 711 711 GLU CB C 711 29.444 29.444 28.274 1.170 19229 5074 1 14 . 1 1 711 711 GLU H H 711 7.828 7.828 7.936 -0.108 19229 5075 1 14 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.481 -0.149 19229 5076 1 14 . 1 1 712 712 PRO C C 712 176.876 176.876 176.426 0.450 19229 5077 1 14 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.925 0.069 19229 5078 1 14 . 1 1 712 712 PRO CB C 712 31.922 31.922 31.605 0.317 19229 5079 1 14 . 1 1 713 713 VAL N N 713 120.328 120.328 122.241 -1.913 19229 5080 1 14 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.214 -0.221 19229 5081 1 14 . 1 1 713 713 VAL C C 713 176.257 176.257 176.548 -0.291 19229 5082 1 14 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.256 -0.123 19229 5083 1 14 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.237 0.378 19229 5084 1 14 . 1 1 713 713 VAL H H 713 8.157 8.157 8.108 0.049 19229 5085 1 14 . 1 1 714 714 SER N N 714 119.503 119.503 120.953 -1.450 19229 5086 1 14 . 1 1 714 714 SER HA H 714 4.440 4.440 4.582 -0.142 19229 5087 1 14 . 1 1 714 714 SER C C 714 174.619 174.619 173.763 0.856 19229 5088 1 14 . 1 1 714 714 SER CA C 714 57.976 57.976 58.297 -0.320 19229 5089 1 14 . 1 1 714 714 SER CB C 714 63.816 63.816 62.715 1.101 19229 5090 1 14 . 1 1 714 714 SER H H 714 8.368 8.368 8.540 -0.172 19229 5091 1 14 . 1 1 715 715 THR N N 715 116.281 116.281 122.160 -5.879 19229 5092 1 14 . 1 1 715 715 THR HA H 715 4.261 4.261 4.594 -0.333 19229 5093 1 14 . 1 1 715 715 THR C C 715 173.559 173.559 173.909 -0.350 19229 5094 1 14 . 1 1 715 715 THR CA C 715 61.499 61.499 61.415 0.084 19229 5095 1 14 . 1 1 715 715 THR CB C 715 69.476 69.476 70.274 -0.798 19229 5096 1 14 . 1 1 715 715 THR H H 715 8.141 8.141 8.273 -0.132 19229 5097 1 15 . 1 1 653 653 ASN N N 653 120.067 120.067 125.328 -5.261 19229 5098 1 15 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.822 -0.234 19229 5099 1 15 . 1 1 653 653 ASN C C 653 175.383 175.383 174.983 0.400 19229 5100 1 15 . 1 1 653 653 ASN CA C 653 53.194 53.194 52.980 0.214 19229 5101 1 15 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.699 0.114 19229 5102 1 15 . 1 1 653 653 ASN H H 653 8.357 8.357 8.660 -0.303 19229 5103 1 15 . 1 1 654 654 THR N N 654 113.812 113.812 116.155 -2.343 19229 5104 1 15 . 1 1 654 654 THR HA H 654 4.260 4.260 4.399 -0.139 19229 5105 1 15 . 1 1 654 654 THR C C 654 174.825 174.825 174.831 -0.006 19229 5106 1 15 . 1 1 654 654 THR CA C 654 61.806 61.806 62.051 -0.245 19229 5107 1 15 . 1 1 654 654 THR CB C 654 69.645 69.645 68.100 1.545 19229 5108 1 15 . 1 1 654 654 THR H H 654 8.040 8.040 8.164 -0.124 19229 5109 1 15 . 1 1 655 655 SER N N 655 117.231 117.231 120.233 -3.002 19229 5110 1 15 . 1 1 655 655 SER HA H 655 4.367 4.367 4.274 0.093 19229 5111 1 15 . 1 1 655 655 SER C C 655 174.218 174.218 174.430 -0.212 19229 5112 1 15 . 1 1 655 655 SER CA C 655 58.681 58.681 60.120 -1.439 19229 5113 1 15 . 1 1 655 655 SER CB C 655 63.586 63.586 63.586 0.000 19229 5114 1 15 . 1 1 655 655 SER H H 655 8.277 8.277 8.176 0.101 19229 5115 1 15 . 1 1 656 656 ASP N N 656 121.799 121.799 121.234 0.565 19229 5116 1 15 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.569 -0.038 19229 5117 1 15 . 1 1 656 656 ASP C C 656 175.250 175.250 175.159 0.091 19229 5118 1 15 . 1 1 656 656 ASP CA C 656 54.385 54.385 53.971 0.414 19229 5119 1 15 . 1 1 656 656 ASP CB C 656 41.069 41.069 41.940 -0.871 19229 5120 1 15 . 1 1 656 656 ASP H H 656 8.197 8.197 7.726 0.471 19229 5121 1 15 . 1 1 657 657 TYR N N 657 122.165 122.165 118.948 3.217 19229 5122 1 15 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.565 -0.119 19229 5123 1 15 . 1 1 657 657 TYR C C 657 174.607 174.607 175.926 -1.319 19229 5124 1 15 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.674 1.014 19229 5125 1 15 . 1 1 657 657 TYR CB C 657 39.025 39.025 38.752 0.273 19229 5126 1 15 . 1 1 657 657 TYR H H 657 8.023 8.023 8.757 -0.734 19229 5127 1 15 . 1 1 658 658 ARG N N 658 128.309 128.309 127.506 0.803 19229 5128 1 15 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.185 0.192 19229 5129 1 15 . 1 1 658 658 ARG C C 658 172.871 172.871 175.324 -2.453 19229 5130 1 15 . 1 1 658 658 ARG CA C 658 55.440 55.440 54.472 0.968 19229 5131 1 15 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.038 4.223 19229 5132 1 15 . 1 1 658 658 ARG H H 658 8.637 8.637 8.924 -0.287 19229 5133 1 15 . 1 1 659 659 PHE N N 659 125.304 125.304 119.692 5.612 19229 5134 1 15 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.473 0.452 19229 5135 1 15 . 1 1 659 659 PHE C C 659 174.558 174.558 175.351 -0.793 19229 5136 1 15 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.836 -0.365 19229 5137 1 15 . 1 1 659 659 PHE CB C 659 41.719 41.719 38.058 3.661 19229 5138 1 15 . 1 1 659 659 PHE H H 659 8.551 8.551 7.308 1.243 19229 5139 1 15 . 1 1 660 660 GLU N N 660 128.804 128.804 124.590 4.214 19229 5140 1 15 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.562 -0.608 19229 5141 1 15 . 1 1 660 660 GLU C C 660 172.361 172.361 174.559 -2.198 19229 5142 1 15 . 1 1 660 660 GLU CA C 660 56.471 56.471 54.920 1.551 19229 5143 1 15 . 1 1 660 660 GLU CB C 660 31.644 31.644 32.933 -1.289 19229 5144 1 15 . 1 1 660 660 GLU H H 660 7.833 7.833 8.030 -0.197 19229 5145 1 15 . 1 1 661 661 CYS N N 661 127.001 127.001 121.241 5.760 19229 5146 1 15 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.626 -0.268 19229 5147 1 15 . 1 1 661 661 CYS C C 661 176.221 176.221 177.562 -1.341 19229 5148 1 15 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.806 0.239 19229 5149 1 15 . 1 1 661 661 CYS CB C 661 30.839 30.839 27.588 3.251 19229 5150 1 15 . 1 1 661 661 CYS H H 661 8.356 8.356 8.716 -0.360 19229 5151 1 15 . 1 1 662 662 ILE N N 662 127.765 127.765 124.654 3.111 19229 5152 1 15 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.826 0.302 19229 5153 1 15 . 1 1 662 662 ILE C C 662 176.439 176.439 176.359 0.080 19229 5154 1 15 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.626 -0.320 19229 5155 1 15 . 1 1 662 662 ILE CB C 662 38.462 38.462 36.961 1.501 19229 5156 1 15 . 1 1 662 662 ILE H H 662 8.075 8.075 8.719 -0.644 19229 5157 1 15 . 1 1 663 663 CYS N N 663 120.000 120.000 117.006 2.994 19229 5158 1 15 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.785 -0.247 19229 5159 1 15 . 1 1 663 663 CYS C C 663 177.046 177.046 176.050 0.996 19229 5160 1 15 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.326 0.566 19229 5161 1 15 . 1 1 663 663 CYS CB C 663 30.994 30.994 28.066 2.929 19229 5162 1 15 . 1 1 663 663 CYS H H 663 7.661 7.661 8.120 -0.459 19229 5163 1 15 . 1 1 664 664 GLY N N 664 110.372 110.372 112.034 -1.662 19229 5164 1 15 . 1 1 664 664 GLY C C 664 173.818 173.818 173.410 0.408 19229 5165 1 15 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.522 0.337 19229 5166 1 15 . 1 1 664 664 GLY H H 664 7.855 7.855 7.982 -0.127 19229 5167 1 15 . 1 1 665 665 GLU N N 665 122.002 122.002 121.218 0.784 19229 5168 1 15 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.450 -0.097 19229 5169 1 15 . 1 1 665 665 GLU C C 665 175.990 175.990 175.505 0.485 19229 5170 1 15 . 1 1 665 665 GLU CA C 665 56.286 56.286 55.274 1.012 19229 5171 1 15 . 1 1 665 665 GLU CB C 665 31.276 31.276 32.443 -1.167 19229 5172 1 15 . 1 1 665 665 GLU H H 665 8.276 8.276 8.314 -0.038 19229 5173 1 15 . 1 1 666 666 LEU N N 666 122.355 122.355 123.582 -1.227 19229 5174 1 15 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.256 0.093 19229 5175 1 15 . 1 1 666 666 LEU C C 666 176.816 176.816 176.900 -0.084 19229 5176 1 15 . 1 1 666 666 LEU CA C 666 54.595 54.595 55.720 -1.125 19229 5177 1 15 . 1 1 666 666 LEU CB C 666 42.549 42.549 42.101 0.448 19229 5178 1 15 . 1 1 666 666 LEU H H 666 8.341 8.341 8.695 -0.354 19229 5179 1 15 . 1 1 667 667 ASP N N 667 121.075 121.075 125.728 -4.653 19229 5180 1 15 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.556 -0.510 19229 5181 1 15 . 1 1 667 667 ASP C C 667 175.432 175.432 175.126 0.306 19229 5182 1 15 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.921 0.251 19229 5183 1 15 . 1 1 667 667 ASP CB C 667 41.069 41.069 39.200 1.869 19229 5184 1 15 . 1 1 667 667 ASP H H 667 8.325 8.325 8.660 -0.335 19229 5185 1 15 . 1 1 668 668 GLN N N 668 121.978 121.978 118.240 3.738 19229 5186 1 15 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.728 -0.531 19229 5187 1 15 . 1 1 668 668 GLN C C 668 175.420 175.420 175.424 -0.004 19229 5188 1 15 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.649 0.576 19229 5189 1 15 . 1 1 668 668 GLN CB C 668 30.149 30.149 31.966 -1.817 19229 5190 1 15 . 1 1 668 668 GLN H H 668 8.083 8.083 7.784 0.299 19229 5191 1 15 . 1 1 669 669 ILE N N 669 120.079 120.079 122.013 -1.934 19229 5192 1 15 . 1 1 669 669 ILE HA H 669 3.878 3.878 3.904 -0.026 19229 5193 1 15 . 1 1 669 669 ILE C C 669 175.347 175.347 176.172 -0.825 19229 5194 1 15 . 1 1 669 669 ILE CA C 669 61.499 61.499 63.346 -1.847 19229 5195 1 15 . 1 1 669 669 ILE CB C 669 37.123 37.123 37.800 -0.677 19229 5196 1 15 . 1 1 669 669 ILE H H 669 8.155 8.155 8.800 -0.645 19229 5197 1 15 . 1 1 670 670 ASP N N 670 123.410 123.410 118.765 4.645 19229 5198 1 15 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.406 0.020 19229 5199 1 15 . 1 1 670 670 ASP C C 670 176.124 176.124 176.834 -0.710 19229 5200 1 15 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.223 -2.614 19229 5201 1 15 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.691 0.448 19229 5202 1 15 . 1 1 670 670 ASP H H 670 7.992 7.992 8.264 -0.272 19229 5203 1 15 . 1 1 671 671 ARG N N 671 118.285 118.285 118.391 -0.106 19229 5204 1 15 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.449 -0.280 19229 5205 1 15 . 1 1 671 671 ARG C C 671 176.476 176.476 176.061 0.415 19229 5206 1 15 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.871 -0.833 19229 5207 1 15 . 1 1 671 671 ARG CB C 671 29.552 29.552 32.249 -2.697 19229 5208 1 15 . 1 1 671 671 ARG H H 671 8.274 8.274 7.587 0.687 19229 5209 1 15 . 1 1 672 672 LYS N N 672 122.196 122.196 119.168 3.028 19229 5210 1 15 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.844 -0.358 19229 5211 1 15 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.464 2.483 19229 5212 1 15 . 1 1 672 672 LYS CB C 672 32.262 32.262 32.736 -0.474 19229 5213 1 15 . 1 1 672 672 LYS H H 672 8.060 8.060 8.126 -0.066 19229 5214 1 15 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.330 0.068 19229 5215 1 15 . 1 1 673 673 PRO C C 673 177.204 177.204 175.907 1.297 19229 5216 1 15 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.416 0.548 19229 5217 1 15 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.052 0.486 19229 5218 1 15 . 1 1 674 674 ARG N N 674 123.076 123.076 121.997 1.079 19229 5219 1 15 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.592 0.896 19229 5220 1 15 . 1 1 674 674 ARG C C 674 174.473 174.473 174.935 -0.462 19229 5221 1 15 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.553 0.431 19229 5222 1 15 . 1 1 674 674 ARG CB C 674 35.552 35.552 32.605 2.947 19229 5223 1 15 . 1 1 674 674 ARG H H 674 8.982 8.982 8.190 0.792 19229 5224 1 15 . 1 1 675 675 VAL N N 675 116.941 116.941 118.269 -1.328 19229 5225 1 15 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.286 0.164 19229 5226 1 15 . 1 1 675 675 VAL C C 675 171.342 171.342 175.276 -3.934 19229 5227 1 15 . 1 1 675 675 VAL CA C 675 59.526 59.526 59.817 -0.291 19229 5228 1 15 . 1 1 675 675 VAL CB C 675 35.310 35.310 34.138 1.172 19229 5229 1 15 . 1 1 675 675 VAL H H 675 9.109 9.109 8.407 0.702 19229 5230 1 15 . 1 1 676 676 GLN N N 676 126.293 126.293 121.648 4.645 19229 5231 1 15 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.730 -0.677 19229 5232 1 15 . 1 1 676 676 GLN C C 676 174.910 174.910 174.936 -0.026 19229 5233 1 15 . 1 1 676 676 GLN CA C 676 53.209 53.209 54.167 -0.958 19229 5234 1 15 . 1 1 676 676 GLN CB C 676 29.100 29.100 30.718 -1.618 19229 5235 1 15 . 1 1 676 676 GLN H H 676 7.755 7.755 7.978 -0.223 19229 5236 1 15 . 1 1 677 677 CYS N N 677 128.217 128.217 120.895 7.322 19229 5237 1 15 . 1 1 677 677 CYS HA H 677 4.073 4.073 5.357 -1.284 19229 5238 1 15 . 1 1 677 677 CYS C C 677 177.471 177.471 176.473 0.998 19229 5239 1 15 . 1 1 677 677 CYS CA C 677 59.449 59.449 57.724 1.725 19229 5240 1 15 . 1 1 677 677 CYS CB C 677 30.727 30.727 28.049 2.678 19229 5241 1 15 . 1 1 677 677 CYS H H 677 8.366 8.366 8.674 -0.308 19229 5242 1 15 . 1 1 678 678 LEU N N 678 131.279 131.279 127.908 3.371 19229 5243 1 15 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.161 -0.323 19229 5244 1 15 . 1 1 678 678 LEU C C 678 176.718 176.718 177.563 -0.845 19229 5245 1 15 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.649 -0.800 19229 5246 1 15 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.447 0.608 19229 5247 1 15 . 1 1 678 678 LEU H H 678 8.304 8.304 8.752 -0.448 19229 5248 1 15 . 1 1 679 679 LYS N N 679 120.707 120.707 118.527 2.180 19229 5249 1 15 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.043 0.292 19229 5250 1 15 . 1 1 679 679 LYS C C 679 176.160 176.160 176.872 -0.712 19229 5251 1 15 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.684 -0.698 19229 5252 1 15 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.722 0.315 19229 5253 1 15 . 1 1 679 679 LYS H H 679 8.752 8.752 8.431 0.321 19229 5254 1 15 . 1 1 680 680 CYS N N 680 118.211 118.211 114.266 3.945 19229 5255 1 15 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.516 -0.050 19229 5256 1 15 . 1 1 680 680 CYS C C 680 176.306 176.306 174.510 1.796 19229 5257 1 15 . 1 1 680 680 CYS CA C 680 59.174 59.174 56.990 2.184 19229 5258 1 15 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.490 3.856 19229 5259 1 15 . 1 1 680 680 CYS H H 680 8.230 8.230 7.464 0.766 19229 5260 1 15 . 1 1 681 681 HIS N N 681 113.392 113.392 116.754 -3.362 19229 5261 1 15 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.759 0.446 19229 5262 1 15 . 1 1 681 681 HIS C C 681 173.478 173.478 172.742 0.736 19229 5263 1 15 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.363 0.627 19229 5264 1 15 . 1 1 681 681 HIS CB C 681 26.556 26.556 26.301 0.255 19229 5265 1 15 . 1 1 681 681 HIS H H 681 7.149 7.149 7.714 -0.565 19229 5266 1 15 . 1 1 682 682 LEU N N 682 124.066 124.066 120.479 3.587 19229 5267 1 15 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.196 0.099 19229 5268 1 15 . 1 1 682 682 LEU C C 682 176.670 176.670 174.701 1.969 19229 5269 1 15 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.022 3.205 19229 5270 1 15 . 1 1 682 682 LEU CB C 682 44.035 44.035 43.023 1.012 19229 5271 1 15 . 1 1 682 682 LEU H H 682 8.172 8.172 7.058 1.114 19229 5272 1 15 . 1 1 683 683 TRP N N 683 124.208 124.208 124.482 -0.274 19229 5273 1 15 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.762 0.329 19229 5274 1 15 . 1 1 683 683 TRP C C 683 174.133 174.133 175.033 -0.900 19229 5275 1 15 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.582 1.141 19229 5276 1 15 . 1 1 683 683 TRP CB C 683 31.814 31.814 31.513 0.301 19229 5277 1 15 . 1 1 683 683 TRP H H 683 8.666 8.666 8.077 0.589 19229 5278 1 15 . 1 1 684 684 GLN N N 684 114.943 114.943 118.809 -3.866 19229 5279 1 15 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.678 -0.713 19229 5280 1 15 . 1 1 684 684 GLN C C 684 176.002 176.002 174.478 1.524 19229 5281 1 15 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.426 0.169 19229 5282 1 15 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.879 -1.124 19229 5283 1 15 . 1 1 684 684 GLN H H 684 8.655 8.655 8.840 -0.185 19229 5284 1 15 . 1 1 685 685 HIS N N 685 121.485 121.485 118.777 2.708 19229 5285 1 15 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.574 0.437 19229 5286 1 15 . 1 1 685 685 HIS C C 685 175.990 175.990 175.720 0.270 19229 5287 1 15 . 1 1 685 685 HIS CA C 685 58.024 58.024 56.766 1.258 19229 5288 1 15 . 1 1 685 685 HIS CB C 685 31.454 31.454 30.683 0.771 19229 5289 1 15 . 1 1 685 685 HIS H H 685 9.487 9.487 8.240 1.247 19229 5290 1 15 . 1 1 686 686 ALA N N 686 125.728 125.728 128.526 -2.798 19229 5291 1 15 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.242 -0.540 19229 5292 1 15 . 1 1 686 686 ALA C C 686 179.000 179.000 178.905 0.095 19229 5293 1 15 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.520 -0.362 19229 5294 1 15 . 1 1 686 686 ALA CB C 686 17.858 17.858 18.970 -1.112 19229 5295 1 15 . 1 1 686 686 ALA H H 686 8.436 8.436 8.700 -0.264 19229 5296 1 15 . 1 1 687 687 LYS N N 687 116.216 116.216 115.568 0.648 19229 5297 1 15 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.467 -0.343 19229 5298 1 15 . 1 1 687 687 LYS C C 687 180.129 180.129 176.080 4.049 19229 5299 1 15 . 1 1 687 687 LYS CA C 687 58.681 58.681 56.702 1.979 19229 5300 1 15 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.438 0.824 19229 5301 1 15 . 1 1 687 687 LYS H H 687 9.407 9.407 7.947 1.460 19229 5302 1 15 . 1 1 688 688 CYS N N 688 117.136 117.136 117.626 -0.490 19229 5303 1 15 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.664 -0.735 19229 5304 1 15 . 1 1 688 688 CYS C C 688 176.439 176.439 175.606 0.833 19229 5305 1 15 . 1 1 688 688 CYS CA C 688 62.584 62.584 59.359 3.225 19229 5306 1 15 . 1 1 688 688 CYS CB C 688 30.149 30.149 27.710 2.439 19229 5307 1 15 . 1 1 688 688 CYS H H 688 6.702 6.702 7.633 -0.931 19229 5308 1 15 . 1 1 689 689 VAL N N 689 106.705 106.705 116.101 -9.396 19229 5309 1 15 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.325 0.089 19229 5310 1 15 . 1 1 689 689 VAL C C 689 175.007 175.007 174.706 0.301 19229 5311 1 15 . 1 1 689 689 VAL CA C 689 60.160 60.160 62.148 -1.988 19229 5312 1 15 . 1 1 689 689 VAL CB C 689 30.924 30.924 33.193 -2.269 19229 5313 1 15 . 1 1 689 689 VAL H H 689 6.932 6.932 7.232 -0.300 19229 5314 1 15 . 1 1 690 690 ASN N N 690 117.807 117.807 117.701 0.106 19229 5315 1 15 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.495 -0.229 19229 5316 1 15 . 1 1 690 690 ASN C C 690 173.405 173.405 173.822 -0.417 19229 5317 1 15 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.592 -0.445 19229 5318 1 15 . 1 1 690 690 ASN CB C 690 37.094 37.094 37.659 -0.565 19229 5319 1 15 . 1 1 690 690 ASN H H 690 7.770 7.770 8.158 -0.388 19229 5320 1 15 . 1 1 691 691 TYR N N 691 120.010 120.010 121.869 -1.859 19229 5321 1 15 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.666 -0.226 19229 5322 1 15 . 1 1 691 691 TYR C C 691 174.073 174.073 172.802 1.271 19229 5323 1 15 . 1 1 691 691 TYR CA C 691 57.695 57.695 57.774 -0.079 19229 5324 1 15 . 1 1 691 691 TYR CB C 691 40.575 40.575 42.459 -1.884 19229 5325 1 15 . 1 1 691 691 TYR H H 691 8.271 8.271 7.928 0.343 19229 5326 1 15 . 1 1 692 692 ASP N N 692 126.612 126.612 117.977 8.635 19229 5327 1 15 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.797 -0.432 19229 5328 1 15 . 1 1 692 692 ASP C C 692 175.663 175.663 175.212 0.451 19229 5329 1 15 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.809 0.025 19229 5330 1 15 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.727 -2.353 19229 5331 1 15 . 1 1 692 692 ASP H H 692 7.799 7.799 7.640 0.159 19229 5332 1 15 . 1 1 693 693 GLU N N 693 125.198 125.198 117.209 7.989 19229 5333 1 15 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.078 -0.154 19229 5334 1 15 . 1 1 693 693 GLU C C 693 177.119 177.119 178.151 -1.032 19229 5335 1 15 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.847 -0.659 19229 5336 1 15 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.209 -0.112 19229 5337 1 15 . 1 1 693 693 GLU H H 693 8.792 8.792 8.718 0.074 19229 5338 1 15 . 1 1 694 694 LYS N N 694 120.048 120.048 119.775 0.273 19229 5339 1 15 . 1 1 694 694 LYS HA H 694 4.070 4.070 3.994 0.076 19229 5340 1 15 . 1 1 694 694 LYS C C 694 177.168 177.168 178.843 -1.675 19229 5341 1 15 . 1 1 694 694 LYS CA C 694 57.554 57.554 59.207 -1.653 19229 5342 1 15 . 1 1 694 694 LYS CB C 694 31.487 31.487 31.946 -0.459 19229 5343 1 15 . 1 1 694 694 LYS H H 694 8.294 8.294 7.991 0.303 19229 5344 1 15 . 1 1 695 695 ASN N N 695 117.271 117.271 116.250 1.021 19229 5345 1 15 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.654 -0.044 19229 5346 1 15 . 1 1 695 695 ASN C C 695 175.517 175.517 176.741 -1.224 19229 5347 1 15 . 1 1 695 695 ASN CA C 695 52.975 52.975 54.173 -1.198 19229 5348 1 15 . 1 1 695 695 ASN CB C 695 38.673 38.673 38.884 -0.211 19229 5349 1 15 . 1 1 695 695 ASN H H 695 7.809 7.809 8.146 -0.337 19229 5350 1 15 . 1 1 696 696 LEU N N 696 122.015 122.015 121.963 0.052 19229 5351 1 15 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.504 -0.296 19229 5352 1 15 . 1 1 696 696 LEU C C 696 177.823 177.823 177.691 0.132 19229 5353 1 15 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.510 -0.308 19229 5354 1 15 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.247 -0.122 19229 5355 1 15 . 1 1 696 696 LEU H H 696 7.764 7.764 7.445 0.319 19229 5356 1 15 . 1 1 697 697 LYS N N 697 116.437 116.437 117.484 -1.047 19229 5357 1 15 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.155 -0.018 19229 5358 1 15 . 1 1 697 697 LYS C C 697 176.536 176.536 177.264 -0.728 19229 5359 1 15 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.677 -1.720 19229 5360 1 15 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.306 -0.255 19229 5361 1 15 . 1 1 697 697 LYS H H 697 8.277 8.277 7.743 0.534 19229 5362 1 15 . 1 1 698 698 ILE N N 698 117.807 117.807 117.740 0.067 19229 5363 1 15 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.159 -0.092 19229 5364 1 15 . 1 1 698 698 ILE C C 698 175.700 175.700 176.645 -0.945 19229 5365 1 15 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.584 0.243 19229 5366 1 15 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.093 0.073 19229 5367 1 15 . 1 1 698 698 ILE H H 698 7.650 7.650 7.244 0.406 19229 5368 1 15 . 1 1 699 699 LYS N N 699 123.286 123.286 120.846 2.440 19229 5369 1 15 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.545 0.210 19229 5370 1 15 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.828 -1.431 19229 5371 1 15 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.149 1.452 19229 5372 1 15 . 1 1 699 699 LYS H H 699 8.121 8.121 8.168 -0.047 19229 5373 1 15 . 1 1 700 700 PRO HA H 700 4.250 4.250 3.793 0.457 19229 5374 1 15 . 1 1 700 700 PRO C C 700 175.213 175.213 175.206 0.007 19229 5375 1 15 . 1 1 700 700 PRO CA C 700 62.800 62.800 62.832 -0.032 19229 5376 1 15 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.991 0.731 19229 5377 1 15 . 1 1 701 701 PHE N N 701 122.959 122.959 115.783 7.176 19229 5378 1 15 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.665 -0.418 19229 5379 1 15 . 1 1 701 701 PHE C C 701 171.657 171.657 173.455 -1.798 19229 5380 1 15 . 1 1 701 701 PHE CA C 701 58.140 58.140 56.364 1.776 19229 5381 1 15 . 1 1 701 701 PHE CB C 701 39.448 39.448 40.614 -1.166 19229 5382 1 15 . 1 1 701 701 PHE H H 701 8.042 8.042 7.102 0.940 19229 5383 1 15 . 1 1 702 702 TYR N N 702 123.854 123.854 122.416 1.438 19229 5384 1 15 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.816 0.214 19229 5385 1 15 . 1 1 702 702 TYR C C 702 173.915 173.915 175.378 -1.463 19229 5386 1 15 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.764 -1.958 19229 5387 1 15 . 1 1 702 702 TYR CB C 702 41.069 41.069 41.705 -0.636 19229 5388 1 15 . 1 1 702 702 TYR H H 702 6.754 6.754 7.952 -1.198 19229 5389 1 15 . 1 1 703 703 CYS N N 703 124.963 124.963 120.976 3.987 19229 5390 1 15 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.704 -0.451 19229 5391 1 15 . 1 1 703 703 CYS CA C 703 57.300 57.300 56.512 0.788 19229 5392 1 15 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.592 1.359 19229 5393 1 15 . 1 1 703 703 CYS H H 703 9.298 9.298 8.415 0.883 19229 5394 1 15 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.173 -0.126 19229 5395 1 15 . 1 1 704 704 PRO C C 704 178.818 178.818 178.260 0.558 19229 5396 1 15 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.769 -0.118 19229 5397 1 15 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.593 0.398 19229 5398 1 15 . 1 1 705 705 HIS N N 705 115.532 115.532 117.981 -2.449 19229 5399 1 15 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.327 -0.045 19229 5400 1 15 . 1 1 705 705 HIS C C 705 177.689 177.689 177.116 0.573 19229 5401 1 15 . 1 1 705 705 HIS CA C 705 58.646 58.646 60.575 -1.929 19229 5402 1 15 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.654 0.072 19229 5403 1 15 . 1 1 705 705 HIS H H 705 7.843 7.843 8.598 -0.755 19229 5404 1 15 . 1 1 706 706 CYS N N 706 124.314 124.314 118.375 5.939 19229 5405 1 15 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.056 -0.285 19229 5406 1 15 . 1 1 706 706 CYS C C 706 177.204 177.204 177.092 0.112 19229 5407 1 15 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.480 0.767 19229 5408 1 15 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.209 3.234 19229 5409 1 15 . 1 1 706 706 CYS H H 706 8.442 8.442 7.791 0.651 19229 5410 1 15 . 1 1 707 707 LEU N N 707 119.208 119.208 120.527 -1.319 19229 5411 1 15 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.827 -0.077 19229 5412 1 15 . 1 1 707 707 LEU C C 707 178.903 178.903 178.931 -0.028 19229 5413 1 15 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.214 -1.012 19229 5414 1 15 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.528 0.455 19229 5415 1 15 . 1 1 707 707 LEU H H 707 8.162 8.162 7.418 0.744 19229 5416 1 15 . 1 1 708 708 VAL N N 708 116.959 116.959 118.502 -1.543 19229 5417 1 15 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.814 -0.065 19229 5418 1 15 . 1 1 708 708 VAL C C 708 176.876 176.876 177.609 -0.733 19229 5419 1 15 . 1 1 708 708 VAL CA C 708 64.077 64.077 65.825 -1.748 19229 5420 1 15 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.393 0.591 19229 5421 1 15 . 1 1 708 708 VAL H H 708 7.161 7.161 7.940 -0.779 19229 5422 1 15 . 1 1 709 709 ALA N N 709 122.758 122.758 121.697 1.061 19229 5423 1 15 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.009 0.104 19229 5424 1 15 . 1 1 709 709 ALA C C 709 177.859 177.859 178.390 -0.531 19229 5425 1 15 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.558 -1.865 19229 5426 1 15 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.807 -0.071 19229 5427 1 15 . 1 1 709 709 ALA H H 709 7.408 7.408 7.575 -0.167 19229 5428 1 15 . 1 1 710 710 MET N N 710 117.242 117.242 117.097 0.145 19229 5429 1 15 . 1 1 710 710 MET HA H 710 4.197 4.197 4.427 -0.230 19229 5430 1 15 . 1 1 710 710 MET C C 710 175.832 175.832 176.619 -0.787 19229 5431 1 15 . 1 1 710 710 MET CA C 710 55.557 55.557 56.556 -1.000 19229 5432 1 15 . 1 1 710 710 MET CB C 710 33.440 33.440 33.702 -0.262 19229 5433 1 15 . 1 1 710 710 MET H H 710 7.586 7.586 7.542 0.044 19229 5434 1 15 . 1 1 711 711 GLU N N 711 122.546 122.546 116.098 6.448 19229 5435 1 15 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.163 0.224 19229 5436 1 15 . 1 1 711 711 GLU CA C 711 54.384 54.384 56.649 -2.265 19229 5437 1 15 . 1 1 711 711 GLU CB C 711 29.444 29.444 28.699 0.745 19229 5438 1 15 . 1 1 711 711 GLU H H 711 7.828 7.828 7.922 -0.094 19229 5439 1 15 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.472 -0.140 19229 5440 1 15 . 1 1 712 712 PRO C C 712 176.876 176.876 176.213 0.663 19229 5441 1 15 . 1 1 712 712 PRO CA C 712 62.994 62.994 63.036 -0.042 19229 5442 1 15 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.049 -0.127 19229 5443 1 15 . 1 1 713 713 VAL N N 713 120.328 120.328 119.901 0.427 19229 5444 1 15 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.226 -0.233 19229 5445 1 15 . 1 1 713 713 VAL C C 713 176.257 176.257 176.694 -0.437 19229 5446 1 15 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.242 -0.109 19229 5447 1 15 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.352 0.263 19229 5448 1 15 . 1 1 713 713 VAL H H 713 8.157 8.157 8.056 0.101 19229 5449 1 15 . 1 1 714 714 SER N N 714 119.503 119.503 120.107 -0.604 19229 5450 1 15 . 1 1 714 714 SER HA H 714 4.440 4.440 4.448 -0.008 19229 5451 1 15 . 1 1 714 714 SER C C 714 174.619 174.619 174.621 -0.002 19229 5452 1 15 . 1 1 714 714 SER CA C 714 57.976 57.976 58.987 -1.011 19229 5453 1 15 . 1 1 714 714 SER CB C 714 63.816 63.816 63.391 0.425 19229 5454 1 15 . 1 1 714 714 SER H H 714 8.368 8.368 8.531 -0.163 19229 5455 1 15 . 1 1 715 715 THR N N 715 116.281 116.281 121.959 -5.678 19229 5456 1 15 . 1 1 715 715 THR HA H 715 4.261 4.261 4.512 -0.251 19229 5457 1 15 . 1 1 715 715 THR C C 715 173.559 173.559 174.005 -0.446 19229 5458 1 15 . 1 1 715 715 THR CA C 715 61.499 61.499 62.119 -0.620 19229 5459 1 15 . 1 1 715 715 THR CB C 715 69.476 69.476 70.115 -0.639 19229 5460 1 15 . 1 1 715 715 THR H H 715 8.141 8.141 8.369 -0.228 19229 5461 1 16 . 1 1 653 653 ASN N N 653 120.067 120.067 119.083 0.984 19229 5462 1 16 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.574 0.014 19229 5463 1 16 . 1 1 653 653 ASN C C 653 175.383 175.383 174.497 0.886 19229 5464 1 16 . 1 1 653 653 ASN CA C 653 53.194 53.194 54.876 -1.682 19229 5465 1 16 . 1 1 653 653 ASN CB C 653 38.813 38.813 37.980 0.834 19229 5466 1 16 . 1 1 653 653 ASN H H 653 8.357 8.357 8.781 -0.424 19229 5467 1 16 . 1 1 654 654 THR N N 654 113.812 113.812 111.336 2.476 19229 5468 1 16 . 1 1 654 654 THR HA H 654 4.260 4.260 4.456 -0.196 19229 5469 1 16 . 1 1 654 654 THR C C 654 174.825 174.825 172.724 2.101 19229 5470 1 16 . 1 1 654 654 THR CA C 654 61.806 61.806 61.343 0.463 19229 5471 1 16 . 1 1 654 654 THR CB C 654 69.645 69.645 70.035 -0.390 19229 5472 1 16 . 1 1 654 654 THR H H 654 8.040 8.040 7.692 0.348 19229 5473 1 16 . 1 1 655 655 SER N N 655 117.231 117.231 117.724 -0.493 19229 5474 1 16 . 1 1 655 655 SER HA H 655 4.367 4.367 4.582 -0.215 19229 5475 1 16 . 1 1 655 655 SER C C 655 174.218 174.218 173.359 0.859 19229 5476 1 16 . 1 1 655 655 SER CA C 655 58.681 58.681 57.451 1.230 19229 5477 1 16 . 1 1 655 655 SER CB C 655 63.586 63.586 63.615 -0.029 19229 5478 1 16 . 1 1 655 655 SER H H 655 8.277 8.277 8.265 0.012 19229 5479 1 16 . 1 1 656 656 ASP N N 656 121.799 121.799 124.387 -2.588 19229 5480 1 16 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.632 -0.101 19229 5481 1 16 . 1 1 656 656 ASP C C 656 175.250 175.250 174.650 0.600 19229 5482 1 16 . 1 1 656 656 ASP CA C 656 54.385 54.385 53.637 0.748 19229 5483 1 16 . 1 1 656 656 ASP CB C 656 41.069 41.069 41.791 -0.722 19229 5484 1 16 . 1 1 656 656 ASP H H 656 8.197 8.197 8.406 -0.209 19229 5485 1 16 . 1 1 657 657 TYR N N 657 122.165 122.165 121.570 0.595 19229 5486 1 16 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.403 0.043 19229 5487 1 16 . 1 1 657 657 TYR C C 657 174.607 174.607 176.090 -1.483 19229 5488 1 16 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.580 1.108 19229 5489 1 16 . 1 1 657 657 TYR CB C 657 39.025 39.025 38.740 0.285 19229 5490 1 16 . 1 1 657 657 TYR H H 657 8.023 8.023 8.570 -0.547 19229 5491 1 16 . 1 1 658 658 ARG N N 658 128.309 128.309 126.680 1.629 19229 5492 1 16 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.108 0.269 19229 5493 1 16 . 1 1 658 658 ARG C C 658 172.871 172.871 175.343 -2.472 19229 5494 1 16 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.494 -0.054 19229 5495 1 16 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.541 3.721 19229 5496 1 16 . 1 1 658 658 ARG H H 658 8.637 8.637 8.846 -0.209 19229 5497 1 16 . 1 1 659 659 PHE N N 659 125.304 125.304 119.176 6.128 19229 5498 1 16 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.376 0.549 19229 5499 1 16 . 1 1 659 659 PHE C C 659 174.558 174.558 174.946 -0.388 19229 5500 1 16 . 1 1 659 659 PHE CA C 659 56.471 56.471 55.595 0.876 19229 5501 1 16 . 1 1 659 659 PHE CB C 659 41.719 41.719 37.004 4.715 19229 5502 1 16 . 1 1 659 659 PHE H H 659 8.551 8.551 7.182 1.369 19229 5503 1 16 . 1 1 660 660 GLU N N 660 128.804 128.804 123.716 5.088 19229 5504 1 16 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.506 -0.552 19229 5505 1 16 . 1 1 660 660 GLU C C 660 172.361 172.361 174.517 -2.156 19229 5506 1 16 . 1 1 660 660 GLU CA C 660 56.471 56.471 54.693 1.778 19229 5507 1 16 . 1 1 660 660 GLU CB C 660 31.644 31.644 33.397 -1.753 19229 5508 1 16 . 1 1 660 660 GLU H H 660 7.833 7.833 7.797 0.036 19229 5509 1 16 . 1 1 661 661 CYS N N 661 127.001 127.001 123.098 3.903 19229 5510 1 16 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.625 -0.267 19229 5511 1 16 . 1 1 661 661 CYS C C 661 176.221 176.221 177.428 -1.207 19229 5512 1 16 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.618 0.427 19229 5513 1 16 . 1 1 661 661 CYS CB C 661 30.839 30.839 28.197 2.642 19229 5514 1 16 . 1 1 661 661 CYS H H 661 8.356 8.356 8.761 -0.405 19229 5515 1 16 . 1 1 662 662 ILE N N 662 127.765 127.765 123.299 4.466 19229 5516 1 16 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.856 0.272 19229 5517 1 16 . 1 1 662 662 ILE C C 662 176.439 176.439 176.326 0.113 19229 5518 1 16 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.671 -0.365 19229 5519 1 16 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.465 0.997 19229 5520 1 16 . 1 1 662 662 ILE H H 662 8.075 8.075 8.530 -0.455 19229 5521 1 16 . 1 1 663 663 CYS N N 663 120.000 120.000 115.437 4.563 19229 5522 1 16 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.574 -0.036 19229 5523 1 16 . 1 1 663 663 CYS C C 663 177.046 177.046 176.378 0.668 19229 5524 1 16 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.947 -0.055 19229 5525 1 16 . 1 1 663 663 CYS CB C 663 30.994 30.994 27.512 3.482 19229 5526 1 16 . 1 1 663 663 CYS H H 663 7.661 7.661 8.002 -0.341 19229 5527 1 16 . 1 1 664 664 GLY N N 664 110.372 110.372 112.049 -1.677 19229 5528 1 16 . 1 1 664 664 GLY C C 664 173.818 173.818 174.942 -1.124 19229 5529 1 16 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.523 0.336 19229 5530 1 16 . 1 1 664 664 GLY H H 664 7.855 7.855 8.266 -0.411 19229 5531 1 16 . 1 1 665 665 GLU N N 665 122.002 122.002 120.056 1.946 19229 5532 1 16 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.244 0.109 19229 5533 1 16 . 1 1 665 665 GLU C C 665 175.990 175.990 177.012 -1.022 19229 5534 1 16 . 1 1 665 665 GLU CA C 665 56.286 56.286 58.163 -1.877 19229 5535 1 16 . 1 1 665 665 GLU CB C 665 31.276 31.276 30.501 0.775 19229 5536 1 16 . 1 1 665 665 GLU H H 665 8.276 8.276 8.007 0.269 19229 5537 1 16 . 1 1 666 666 LEU N N 666 122.355 122.355 115.828 6.527 19229 5538 1 16 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.581 -0.232 19229 5539 1 16 . 1 1 666 666 LEU C C 666 176.816 176.816 174.566 2.250 19229 5540 1 16 . 1 1 666 666 LEU CA C 666 54.595 54.595 54.137 0.458 19229 5541 1 16 . 1 1 666 666 LEU CB C 666 42.549 42.549 44.858 -2.309 19229 5542 1 16 . 1 1 666 666 LEU H H 666 8.341 8.341 7.857 0.484 19229 5543 1 16 . 1 1 667 667 ASP N N 667 121.075 121.075 119.409 1.666 19229 5544 1 16 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.664 -0.618 19229 5545 1 16 . 1 1 667 667 ASP C C 667 175.432 175.432 174.377 1.055 19229 5546 1 16 . 1 1 667 667 ASP CA C 667 54.172 54.172 54.050 0.123 19229 5547 1 16 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.366 -0.297 19229 5548 1 16 . 1 1 667 667 ASP H H 667 8.325 8.325 8.403 -0.078 19229 5549 1 16 . 1 1 668 668 GLN N N 668 121.978 121.978 119.797 2.181 19229 5550 1 16 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.771 -0.574 19229 5551 1 16 . 1 1 668 668 GLN C C 668 175.420 175.420 174.703 0.717 19229 5552 1 16 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.121 1.103 19229 5553 1 16 . 1 1 668 668 GLN CB C 668 30.149 30.149 31.752 -1.603 19229 5554 1 16 . 1 1 668 668 GLN H H 668 8.083 8.083 8.134 -0.051 19229 5555 1 16 . 1 1 669 669 ILE N N 669 120.079 120.079 118.117 1.962 19229 5556 1 16 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.343 -0.465 19229 5557 1 16 . 1 1 669 669 ILE C C 669 175.347 175.347 176.697 -1.350 19229 5558 1 16 . 1 1 669 669 ILE CA C 669 61.499 61.499 61.687 -0.188 19229 5559 1 16 . 1 1 669 669 ILE CB C 669 37.123 37.123 38.692 -1.569 19229 5560 1 16 . 1 1 669 669 ILE H H 669 8.155 8.155 8.577 -0.422 19229 5561 1 16 . 1 1 670 670 ASP N N 670 123.410 123.410 121.466 1.944 19229 5562 1 16 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.427 -0.001 19229 5563 1 16 . 1 1 670 670 ASP C C 670 176.124 176.124 177.308 -1.184 19229 5564 1 16 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.601 -2.992 19229 5565 1 16 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.910 0.229 19229 5566 1 16 . 1 1 670 670 ASP H H 670 7.992 7.992 8.029 -0.037 19229 5567 1 16 . 1 1 671 671 ARG N N 671 118.285 118.285 119.747 -1.462 19229 5568 1 16 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.217 -0.048 19229 5569 1 16 . 1 1 671 671 ARG C C 671 176.476 176.476 175.914 0.562 19229 5570 1 16 . 1 1 671 671 ARG CA C 671 56.038 56.038 57.569 -1.531 19229 5571 1 16 . 1 1 671 671 ARG CB C 671 29.552 29.552 30.975 -1.423 19229 5572 1 16 . 1 1 671 671 ARG H H 671 8.274 8.274 8.136 0.138 19229 5573 1 16 . 1 1 672 672 LYS N N 672 122.196 122.196 119.012 3.184 19229 5574 1 16 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.700 -0.214 19229 5575 1 16 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.343 2.604 19229 5576 1 16 . 1 1 672 672 LYS CB C 672 32.262 32.262 31.961 0.301 19229 5577 1 16 . 1 1 672 672 LYS H H 672 8.060 8.060 7.968 0.092 19229 5578 1 16 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.525 -0.127 19229 5579 1 16 . 1 1 673 673 PRO C C 673 177.204 177.204 176.125 1.079 19229 5580 1 16 . 1 1 673 673 PRO CA C 673 63.964 63.964 62.730 1.234 19229 5581 1 16 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.535 0.003 19229 5582 1 16 . 1 1 674 674 ARG N N 674 123.076 123.076 118.982 4.094 19229 5583 1 16 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.714 0.774 19229 5584 1 16 . 1 1 674 674 ARG C C 674 174.473 174.473 174.746 -0.273 19229 5585 1 16 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.733 0.251 19229 5586 1 16 . 1 1 674 674 ARG CB C 674 35.552 35.552 32.979 2.573 19229 5587 1 16 . 1 1 674 674 ARG H H 674 8.982 8.982 8.150 0.832 19229 5588 1 16 . 1 1 675 675 VAL N N 675 116.941 116.941 119.410 -2.469 19229 5589 1 16 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.382 0.068 19229 5590 1 16 . 1 1 675 675 VAL C C 675 171.342 171.342 175.273 -3.931 19229 5591 1 16 . 1 1 675 675 VAL CA C 675 59.526 59.526 59.974 -0.448 19229 5592 1 16 . 1 1 675 675 VAL CB C 675 35.310 35.310 34.385 0.925 19229 5593 1 16 . 1 1 675 675 VAL H H 675 9.109 9.109 8.710 0.399 19229 5594 1 16 . 1 1 676 676 GLN N N 676 126.293 126.293 124.563 1.730 19229 5595 1 16 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.518 -0.465 19229 5596 1 16 . 1 1 676 676 GLN C C 676 174.910 174.910 175.192 -0.282 19229 5597 1 16 . 1 1 676 676 GLN CA C 676 53.209 53.209 55.732 -2.523 19229 5598 1 16 . 1 1 676 676 GLN CB C 676 29.100 29.100 29.740 -0.640 19229 5599 1 16 . 1 1 676 676 GLN H H 676 7.755 7.755 7.948 -0.193 19229 5600 1 16 . 1 1 677 677 CYS N N 677 128.217 128.217 119.350 8.867 19229 5601 1 16 . 1 1 677 677 CYS HA H 677 4.073 4.073 5.425 -1.352 19229 5602 1 16 . 1 1 677 677 CYS C C 677 177.471 177.471 175.964 1.507 19229 5603 1 16 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.032 1.417 19229 5604 1 16 . 1 1 677 677 CYS CB C 677 30.727 30.727 27.918 2.809 19229 5605 1 16 . 1 1 677 677 CYS H H 677 8.366 8.366 8.563 -0.197 19229 5606 1 16 . 1 1 678 678 LEU N N 678 131.279 131.279 127.024 4.255 19229 5607 1 16 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.175 -0.337 19229 5608 1 16 . 1 1 678 678 LEU C C 678 176.718 176.718 177.362 -0.644 19229 5609 1 16 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.008 -0.159 19229 5610 1 16 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.563 0.491 19229 5611 1 16 . 1 1 678 678 LEU H H 678 8.304 8.304 8.910 -0.606 19229 5612 1 16 . 1 1 679 679 LYS N N 679 120.707 120.707 117.271 3.436 19229 5613 1 16 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.144 0.191 19229 5614 1 16 . 1 1 679 679 LYS C C 679 176.160 176.160 177.057 -0.897 19229 5615 1 16 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.495 -0.509 19229 5616 1 16 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.768 0.269 19229 5617 1 16 . 1 1 679 679 LYS H H 679 8.752 8.752 8.364 0.388 19229 5618 1 16 . 1 1 680 680 CYS N N 680 118.211 118.211 114.811 3.400 19229 5619 1 16 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.727 -0.261 19229 5620 1 16 . 1 1 680 680 CYS C C 680 176.306 176.306 174.381 1.925 19229 5621 1 16 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.039 2.135 19229 5622 1 16 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.938 3.408 19229 5623 1 16 . 1 1 680 680 CYS H H 680 8.230 8.230 7.579 0.651 19229 5624 1 16 . 1 1 681 681 HIS N N 681 113.392 113.392 118.475 -5.083 19229 5625 1 16 . 1 1 681 681 HIS HA H 681 4.204 4.204 4.060 0.144 19229 5626 1 16 . 1 1 681 681 HIS C C 681 173.478 173.478 173.036 0.442 19229 5627 1 16 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.828 0.162 19229 5628 1 16 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.031 -0.475 19229 5629 1 16 . 1 1 681 681 HIS H H 681 7.149 7.149 7.925 -0.776 19229 5630 1 16 . 1 1 682 682 LEU N N 682 124.066 124.066 121.234 2.832 19229 5631 1 16 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.335 -0.040 19229 5632 1 16 . 1 1 682 682 LEU C C 682 176.670 176.670 174.307 2.363 19229 5633 1 16 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.784 2.443 19229 5634 1 16 . 1 1 682 682 LEU CB C 682 44.035 44.035 44.745 -0.710 19229 5635 1 16 . 1 1 682 682 LEU H H 682 8.172 8.172 7.575 0.597 19229 5636 1 16 . 1 1 683 683 TRP N N 683 124.208 124.208 124.140 0.068 19229 5637 1 16 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.683 0.408 19229 5638 1 16 . 1 1 683 683 TRP C C 683 174.133 174.133 174.952 -0.819 19229 5639 1 16 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.166 1.557 19229 5640 1 16 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.670 1.144 19229 5641 1 16 . 1 1 683 683 TRP H H 683 8.666 8.666 8.059 0.607 19229 5642 1 16 . 1 1 684 684 GLN N N 684 114.943 114.943 119.499 -4.556 19229 5643 1 16 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.802 -0.837 19229 5644 1 16 . 1 1 684 684 GLN C C 684 176.002 176.002 174.719 1.283 19229 5645 1 16 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.006 0.589 19229 5646 1 16 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.868 -1.113 19229 5647 1 16 . 1 1 684 684 GLN H H 684 8.655 8.655 8.531 0.124 19229 5648 1 16 . 1 1 685 685 HIS N N 685 121.485 121.485 120.207 1.278 19229 5649 1 16 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.564 0.447 19229 5650 1 16 . 1 1 685 685 HIS C C 685 175.990 175.990 175.687 0.303 19229 5651 1 16 . 1 1 685 685 HIS CA C 685 58.024 58.024 57.431 0.593 19229 5652 1 16 . 1 1 685 685 HIS CB C 685 31.454 31.454 30.692 0.762 19229 5653 1 16 . 1 1 685 685 HIS H H 685 9.487 9.487 8.142 1.345 19229 5654 1 16 . 1 1 686 686 ALA N N 686 125.728 125.728 127.515 -1.787 19229 5655 1 16 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.119 -0.417 19229 5656 1 16 . 1 1 686 686 ALA C C 686 179.000 179.000 179.153 -0.153 19229 5657 1 16 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.805 -0.647 19229 5658 1 16 . 1 1 686 686 ALA CB C 686 17.858 17.858 19.008 -1.150 19229 5659 1 16 . 1 1 686 686 ALA H H 686 8.436 8.436 8.453 -0.017 19229 5660 1 16 . 1 1 687 687 LYS N N 687 116.216 116.216 117.989 -1.773 19229 5661 1 16 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.205 -0.081 19229 5662 1 16 . 1 1 687 687 LYS C C 687 180.129 180.129 178.241 1.888 19229 5663 1 16 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.319 0.362 19229 5664 1 16 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.934 0.328 19229 5665 1 16 . 1 1 687 687 LYS H H 687 9.407 9.407 8.459 0.948 19229 5666 1 16 . 1 1 688 688 CYS N N 688 117.136 117.136 115.780 1.356 19229 5667 1 16 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.401 -0.472 19229 5668 1 16 . 1 1 688 688 CYS C C 688 176.439 176.439 176.293 0.146 19229 5669 1 16 . 1 1 688 688 CYS CA C 688 62.584 62.584 60.610 1.974 19229 5670 1 16 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.355 3.794 19229 5671 1 16 . 1 1 688 688 CYS H H 688 6.702 6.702 8.502 -1.800 19229 5672 1 16 . 1 1 689 689 VAL N N 689 106.705 106.705 115.142 -8.437 19229 5673 1 16 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.312 0.102 19229 5674 1 16 . 1 1 689 689 VAL C C 689 175.007 175.007 175.438 -0.431 19229 5675 1 16 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.905 -1.745 19229 5676 1 16 . 1 1 689 689 VAL CB C 689 30.924 30.924 33.147 -2.223 19229 5677 1 16 . 1 1 689 689 VAL H H 689 6.932 6.932 7.356 -0.424 19229 5678 1 16 . 1 1 690 690 ASN N N 690 117.807 117.807 114.720 3.087 19229 5679 1 16 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.373 -0.107 19229 5680 1 16 . 1 1 690 690 ASN C C 690 173.405 173.405 174.319 -0.914 19229 5681 1 16 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.779 -0.632 19229 5682 1 16 . 1 1 690 690 ASN CB C 690 37.094 37.094 36.408 0.686 19229 5683 1 16 . 1 1 690 690 ASN H H 690 7.770 7.770 7.806 -0.036 19229 5684 1 16 . 1 1 691 691 TYR N N 691 120.010 120.010 120.610 -0.600 19229 5685 1 16 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.629 -0.189 19229 5686 1 16 . 1 1 691 691 TYR C C 691 174.073 174.073 173.826 0.247 19229 5687 1 16 . 1 1 691 691 TYR CA C 691 57.695 57.695 58.345 -0.650 19229 5688 1 16 . 1 1 691 691 TYR CB C 691 40.575 40.575 41.202 -0.626 19229 5689 1 16 . 1 1 691 691 TYR H H 691 8.271 8.271 8.387 -0.116 19229 5690 1 16 . 1 1 692 692 ASP N N 692 126.612 126.612 117.032 9.580 19229 5691 1 16 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.822 -0.457 19229 5692 1 16 . 1 1 692 692 ASP C C 692 175.663 175.663 174.915 0.748 19229 5693 1 16 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.940 -0.106 19229 5694 1 16 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.412 -2.038 19229 5695 1 16 . 1 1 692 692 ASP H H 692 7.799 7.799 8.068 -0.269 19229 5696 1 16 . 1 1 693 693 GLU N N 693 125.198 125.198 115.844 9.354 19229 5697 1 16 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.195 -0.271 19229 5698 1 16 . 1 1 693 693 GLU C C 693 177.119 177.119 178.003 -0.884 19229 5699 1 16 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.650 -0.462 19229 5700 1 16 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.537 -0.440 19229 5701 1 16 . 1 1 693 693 GLU H H 693 8.792 8.792 8.661 0.131 19229 5702 1 16 . 1 1 694 694 LYS N N 694 120.048 120.048 119.774 0.274 19229 5703 1 16 . 1 1 694 694 LYS HA H 694 4.070 4.070 4.054 0.016 19229 5704 1 16 . 1 1 694 694 LYS C C 694 177.168 177.168 178.499 -1.331 19229 5705 1 16 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.687 -1.133 19229 5706 1 16 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.229 -0.742 19229 5707 1 16 . 1 1 694 694 LYS H H 694 8.294 8.294 8.010 0.284 19229 5708 1 16 . 1 1 695 695 ASN N N 695 117.271 117.271 115.942 1.329 19229 5709 1 16 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.696 -0.086 19229 5710 1 16 . 1 1 695 695 ASN C C 695 175.517 175.517 176.373 -0.856 19229 5711 1 16 . 1 1 695 695 ASN CA C 695 52.975 52.975 53.716 -0.741 19229 5712 1 16 . 1 1 695 695 ASN CB C 695 38.673 38.673 39.011 -0.338 19229 5713 1 16 . 1 1 695 695 ASN H H 695 7.809 7.809 8.243 -0.434 19229 5714 1 16 . 1 1 696 696 LEU N N 696 122.015 122.015 121.216 0.799 19229 5715 1 16 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.509 -0.301 19229 5716 1 16 . 1 1 696 696 LEU C C 696 177.823 177.823 177.771 0.052 19229 5717 1 16 . 1 1 696 696 LEU CA C 696 57.202 57.202 56.996 0.206 19229 5718 1 16 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.122 0.003 19229 5719 1 16 . 1 1 696 696 LEU H H 696 7.764 7.764 7.266 0.498 19229 5720 1 16 . 1 1 697 697 LYS N N 697 116.437 116.437 118.045 -1.608 19229 5721 1 16 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.140 -0.003 19229 5722 1 16 . 1 1 697 697 LYS C C 697 176.536 176.536 177.319 -0.783 19229 5723 1 16 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.673 -1.716 19229 5724 1 16 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.308 -0.257 19229 5725 1 16 . 1 1 697 697 LYS H H 697 8.277 8.277 7.764 0.513 19229 5726 1 16 . 1 1 698 698 ILE N N 698 117.807 117.807 117.694 0.113 19229 5727 1 16 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.120 -0.053 19229 5728 1 16 . 1 1 698 698 ILE C C 698 175.700 175.700 176.561 -0.861 19229 5729 1 16 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.589 0.238 19229 5730 1 16 . 1 1 698 698 ILE CB C 698 39.166 39.166 38.963 0.203 19229 5731 1 16 . 1 1 698 698 ILE H H 698 7.650 7.650 7.163 0.487 19229 5732 1 16 . 1 1 699 699 LYS N N 699 123.286 123.286 120.723 2.563 19229 5733 1 16 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.495 0.260 19229 5734 1 16 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.674 -1.277 19229 5735 1 16 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.022 1.579 19229 5736 1 16 . 1 1 699 699 LYS H H 699 8.121 8.121 8.145 -0.024 19229 5737 1 16 . 1 1 700 700 PRO HA H 700 4.250 4.250 3.838 0.412 19229 5738 1 16 . 1 1 700 700 PRO C C 700 175.213 175.213 175.661 -0.448 19229 5739 1 16 . 1 1 700 700 PRO CA C 700 62.800 62.800 62.950 -0.150 19229 5740 1 16 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.733 0.989 19229 5741 1 16 . 1 1 701 701 PHE N N 701 122.959 122.959 120.457 2.502 19229 5742 1 16 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.572 -0.325 19229 5743 1 16 . 1 1 701 701 PHE C C 701 171.657 171.657 173.688 -2.031 19229 5744 1 16 . 1 1 701 701 PHE CA C 701 58.140 58.140 54.858 3.282 19229 5745 1 16 . 1 1 701 701 PHE CB C 701 39.448 39.448 39.838 -0.390 19229 5746 1 16 . 1 1 701 701 PHE H H 701 8.042 8.042 7.071 0.971 19229 5747 1 16 . 1 1 702 702 TYR N N 702 123.854 123.854 123.149 0.705 19229 5748 1 16 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.707 0.323 19229 5749 1 16 . 1 1 702 702 TYR C C 702 173.915 173.915 174.992 -1.077 19229 5750 1 16 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.941 -2.135 19229 5751 1 16 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.008 -0.939 19229 5752 1 16 . 1 1 702 702 TYR H H 702 6.754 6.754 7.942 -1.188 19229 5753 1 16 . 1 1 703 703 CYS N N 703 124.963 124.963 121.076 3.887 19229 5754 1 16 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.787 -0.534 19229 5755 1 16 . 1 1 703 703 CYS CA C 703 57.300 57.300 56.077 1.223 19229 5756 1 16 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.907 1.044 19229 5757 1 16 . 1 1 703 703 CYS H H 703 9.298 9.298 8.441 0.857 19229 5758 1 16 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.211 -0.164 19229 5759 1 16 . 1 1 704 704 PRO C C 704 178.818 178.818 178.025 0.793 19229 5760 1 16 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.367 0.284 19229 5761 1 16 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.833 0.158 19229 5762 1 16 . 1 1 705 705 HIS N N 705 115.532 115.532 117.639 -2.107 19229 5763 1 16 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.383 -0.101 19229 5764 1 16 . 1 1 705 705 HIS C C 705 177.689 177.689 177.477 0.212 19229 5765 1 16 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.431 -0.784 19229 5766 1 16 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.419 0.307 19229 5767 1 16 . 1 1 705 705 HIS H H 705 7.843 7.843 8.161 -0.318 19229 5768 1 16 . 1 1 706 706 CYS N N 706 124.314 124.314 118.388 5.926 19229 5769 1 16 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.221 -0.450 19229 5770 1 16 . 1 1 706 706 CYS C C 706 177.204 177.204 176.918 0.286 19229 5771 1 16 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.302 0.945 19229 5772 1 16 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.094 3.349 19229 5773 1 16 . 1 1 706 706 CYS H H 706 8.442 8.442 7.905 0.537 19229 5774 1 16 . 1 1 707 707 LEU N N 707 119.208 119.208 120.754 -1.546 19229 5775 1 16 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.926 -0.176 19229 5776 1 16 . 1 1 707 707 LEU C C 707 178.903 178.903 179.001 -0.098 19229 5777 1 16 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.096 -0.894 19229 5778 1 16 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.726 0.257 19229 5779 1 16 . 1 1 707 707 LEU H H 707 8.162 8.162 7.368 0.794 19229 5780 1 16 . 1 1 708 708 VAL N N 708 116.959 116.959 118.336 -1.377 19229 5781 1 16 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.716 0.033 19229 5782 1 16 . 1 1 708 708 VAL C C 708 176.876 176.876 177.804 -0.928 19229 5783 1 16 . 1 1 708 708 VAL CA C 708 64.077 64.077 65.722 -1.645 19229 5784 1 16 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.059 0.925 19229 5785 1 16 . 1 1 708 708 VAL H H 708 7.161 7.161 8.051 -0.890 19229 5786 1 16 . 1 1 709 709 ALA N N 709 122.758 122.758 122.444 0.314 19229 5787 1 16 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.036 0.077 19229 5788 1 16 . 1 1 709 709 ALA C C 709 177.859 177.859 178.737 -0.878 19229 5789 1 16 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.555 -1.862 19229 5790 1 16 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.972 -0.236 19229 5791 1 16 . 1 1 709 709 ALA H H 709 7.408 7.408 7.913 -0.505 19229 5792 1 16 . 1 1 710 710 MET N N 710 117.242 117.242 115.832 1.410 19229 5793 1 16 . 1 1 710 710 MET HA H 710 4.197 4.197 4.496 -0.299 19229 5794 1 16 . 1 1 710 710 MET C C 710 175.832 175.832 176.501 -0.669 19229 5795 1 16 . 1 1 710 710 MET CA C 710 55.557 55.557 56.320 -0.763 19229 5796 1 16 . 1 1 710 710 MET CB C 710 33.440 33.440 33.745 -0.305 19229 5797 1 16 . 1 1 710 710 MET H H 710 7.586 7.586 7.548 0.038 19229 5798 1 16 . 1 1 711 711 GLU N N 711 122.546 122.546 116.760 5.786 19229 5799 1 16 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.144 0.243 19229 5800 1 16 . 1 1 711 711 GLU CA C 711 54.384 54.384 56.215 -1.831 19229 5801 1 16 . 1 1 711 711 GLU CB C 711 29.444 29.444 28.436 1.008 19229 5802 1 16 . 1 1 711 711 GLU H H 711 7.828 7.828 7.849 -0.021 19229 5803 1 16 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.380 -0.048 19229 5804 1 16 . 1 1 712 712 PRO C C 712 176.876 176.876 175.854 1.022 19229 5805 1 16 . 1 1 712 712 PRO CA C 712 62.994 62.994 63.481 -0.487 19229 5806 1 16 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.160 -0.238 19229 5807 1 16 . 1 1 713 713 VAL N N 713 120.328 120.328 122.671 -2.343 19229 5808 1 16 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.216 -0.223 19229 5809 1 16 . 1 1 713 713 VAL C C 713 176.257 176.257 176.257 0.000 19229 5810 1 16 . 1 1 713 713 VAL CA C 713 62.133 62.133 61.143 0.990 19229 5811 1 16 . 1 1 713 713 VAL CB C 713 32.615 32.615 33.548 -0.933 19229 5812 1 16 . 1 1 713 713 VAL H H 713 8.157 8.157 8.165 -0.008 19229 5813 1 16 . 1 1 714 714 SER N N 714 119.503 119.503 120.208 -0.705 19229 5814 1 16 . 1 1 714 714 SER HA H 714 4.440 4.440 4.417 0.023 19229 5815 1 16 . 1 1 714 714 SER C C 714 174.619 174.619 173.641 0.978 19229 5816 1 16 . 1 1 714 714 SER CA C 714 57.976 57.976 59.466 -1.490 19229 5817 1 16 . 1 1 714 714 SER CB C 714 63.816 63.816 62.089 1.727 19229 5818 1 16 . 1 1 714 714 SER H H 714 8.368 8.368 8.434 -0.066 19229 5819 1 16 . 1 1 715 715 THR N N 715 116.281 116.281 120.574 -4.293 19229 5820 1 16 . 1 1 715 715 THR HA H 715 4.261 4.261 4.545 -0.284 19229 5821 1 16 . 1 1 715 715 THR C C 715 173.559 173.559 173.776 -0.217 19229 5822 1 16 . 1 1 715 715 THR CA C 715 61.499 61.499 61.843 -0.344 19229 5823 1 16 . 1 1 715 715 THR CB C 715 69.476 69.476 71.254 -1.778 19229 5824 1 16 . 1 1 715 715 THR H H 715 8.141 8.141 8.075 0.066 19229 5825 1 17 . 1 1 653 653 ASN N N 653 120.067 120.067 122.163 -2.096 19229 5826 1 17 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.861 -0.273 19229 5827 1 17 . 1 1 653 653 ASN C C 653 175.383 175.383 175.037 0.346 19229 5828 1 17 . 1 1 653 653 ASN CA C 653 53.194 53.194 52.778 0.416 19229 5829 1 17 . 1 1 653 653 ASN CB C 653 38.813 38.813 39.141 -0.328 19229 5830 1 17 . 1 1 653 653 ASN H H 653 8.357 8.357 8.293 0.064 19229 5831 1 17 . 1 1 654 654 THR N N 654 113.812 113.812 113.019 0.793 19229 5832 1 17 . 1 1 654 654 THR HA H 654 4.260 4.260 4.094 0.166 19229 5833 1 17 . 1 1 654 654 THR C C 654 174.825 174.825 173.683 1.142 19229 5834 1 17 . 1 1 654 654 THR CA C 654 61.806 61.806 62.318 -0.512 19229 5835 1 17 . 1 1 654 654 THR CB C 654 69.645 69.645 68.524 1.121 19229 5836 1 17 . 1 1 654 654 THR H H 654 8.040 8.040 8.203 -0.163 19229 5837 1 17 . 1 1 655 655 SER N N 655 117.231 117.231 117.384 -0.153 19229 5838 1 17 . 1 1 655 655 SER HA H 655 4.367 4.367 4.351 0.016 19229 5839 1 17 . 1 1 655 655 SER C C 655 174.218 174.218 173.826 0.392 19229 5840 1 17 . 1 1 655 655 SER CA C 655 58.681 58.681 57.780 0.901 19229 5841 1 17 . 1 1 655 655 SER CB C 655 63.586 63.586 63.139 0.447 19229 5842 1 17 . 1 1 655 655 SER H H 655 8.277 8.277 8.341 -0.064 19229 5843 1 17 . 1 1 656 656 ASP N N 656 121.799 121.799 120.858 0.941 19229 5844 1 17 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.412 0.119 19229 5845 1 17 . 1 1 656 656 ASP C C 656 175.250 175.250 175.574 -0.324 19229 5846 1 17 . 1 1 656 656 ASP CA C 656 54.385 54.385 53.477 0.908 19229 5847 1 17 . 1 1 656 656 ASP CB C 656 41.069 41.069 41.747 -0.678 19229 5848 1 17 . 1 1 656 656 ASP H H 656 8.197 8.197 7.561 0.636 19229 5849 1 17 . 1 1 657 657 TYR N N 657 122.165 122.165 121.437 0.728 19229 5850 1 17 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.489 -0.043 19229 5851 1 17 . 1 1 657 657 TYR C C 657 174.607 174.607 175.572 -0.965 19229 5852 1 17 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.873 0.815 19229 5853 1 17 . 1 1 657 657 TYR CB C 657 39.025 39.025 38.026 0.999 19229 5854 1 17 . 1 1 657 657 TYR H H 657 8.023 8.023 8.276 -0.253 19229 5855 1 17 . 1 1 658 658 ARG N N 658 128.309 128.309 126.242 2.067 19229 5856 1 17 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.125 0.252 19229 5857 1 17 . 1 1 658 658 ARG C C 658 172.871 172.871 175.292 -2.421 19229 5858 1 17 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.403 0.037 19229 5859 1 17 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.948 3.314 19229 5860 1 17 . 1 1 658 658 ARG H H 658 8.637 8.637 8.270 0.367 19229 5861 1 17 . 1 1 659 659 PHE N N 659 125.304 125.304 123.129 2.175 19229 5862 1 17 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.663 0.262 19229 5863 1 17 . 1 1 659 659 PHE C C 659 174.558 174.558 174.595 -0.037 19229 5864 1 17 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.430 0.041 19229 5865 1 17 . 1 1 659 659 PHE CB C 659 41.719 41.719 39.551 2.168 19229 5866 1 17 . 1 1 659 659 PHE H H 659 8.551 8.551 7.535 1.016 19229 5867 1 17 . 1 1 660 660 GLU N N 660 128.804 128.804 123.482 5.322 19229 5868 1 17 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.547 -0.593 19229 5869 1 17 . 1 1 660 660 GLU C C 660 172.361 172.361 174.817 -2.456 19229 5870 1 17 . 1 1 660 660 GLU CA C 660 56.471 56.471 55.394 1.077 19229 5871 1 17 . 1 1 660 660 GLU CB C 660 31.644 31.644 32.599 -0.956 19229 5872 1 17 . 1 1 660 660 GLU H H 660 7.833 7.833 8.187 -0.354 19229 5873 1 17 . 1 1 661 661 CYS N N 661 127.001 127.001 121.369 5.632 19229 5874 1 17 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.732 -0.374 19229 5875 1 17 . 1 1 661 661 CYS C C 661 176.221 176.221 176.741 -0.520 19229 5876 1 17 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.901 0.144 19229 5877 1 17 . 1 1 661 661 CYS CB C 661 30.839 30.839 29.170 1.669 19229 5878 1 17 . 1 1 661 661 CYS H H 661 8.356 8.356 8.489 -0.133 19229 5879 1 17 . 1 1 662 662 ILE N N 662 127.765 127.765 120.497 7.268 19229 5880 1 17 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.830 0.298 19229 5881 1 17 . 1 1 662 662 ILE C C 662 176.439 176.439 176.610 -0.171 19229 5882 1 17 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.584 -0.278 19229 5883 1 17 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.237 1.225 19229 5884 1 17 . 1 1 662 662 ILE H H 662 8.075 8.075 8.462 -0.387 19229 5885 1 17 . 1 1 663 663 CYS N N 663 120.000 120.000 116.254 3.746 19229 5886 1 17 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.679 -0.141 19229 5887 1 17 . 1 1 663 663 CYS C C 663 177.046 177.046 175.877 1.169 19229 5888 1 17 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.477 0.415 19229 5889 1 17 . 1 1 663 663 CYS CB C 663 30.994 30.994 29.028 1.966 19229 5890 1 17 . 1 1 663 663 CYS H H 663 7.661 7.661 7.865 -0.204 19229 5891 1 17 . 1 1 664 664 GLY N N 664 110.372 110.372 112.695 -2.323 19229 5892 1 17 . 1 1 664 664 GLY C C 664 173.818 173.818 174.861 -1.043 19229 5893 1 17 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.917 -0.058 19229 5894 1 17 . 1 1 664 664 GLY H H 664 7.855 7.855 8.451 -0.596 19229 5895 1 17 . 1 1 665 665 GLU N N 665 122.002 122.002 120.942 1.060 19229 5896 1 17 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.520 -0.167 19229 5897 1 17 . 1 1 665 665 GLU C C 665 175.990 175.990 176.397 -0.407 19229 5898 1 17 . 1 1 665 665 GLU CA C 665 56.286 56.286 56.898 -0.612 19229 5899 1 17 . 1 1 665 665 GLU CB C 665 31.276 31.276 30.704 0.572 19229 5900 1 17 . 1 1 665 665 GLU H H 665 8.276 8.276 8.895 -0.619 19229 5901 1 17 . 1 1 666 666 LEU N N 666 122.355 122.355 121.355 1.000 19229 5902 1 17 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.716 -0.367 19229 5903 1 17 . 1 1 666 666 LEU C C 666 176.816 176.816 175.265 1.551 19229 5904 1 17 . 1 1 666 666 LEU CA C 666 54.595 54.595 53.907 0.688 19229 5905 1 17 . 1 1 666 666 LEU CB C 666 42.549 42.549 45.194 -2.645 19229 5906 1 17 . 1 1 666 666 LEU H H 666 8.341 8.341 7.756 0.585 19229 5907 1 17 . 1 1 667 667 ASP N N 667 121.075 121.075 124.880 -3.805 19229 5908 1 17 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.557 -0.511 19229 5909 1 17 . 1 1 667 667 ASP C C 667 175.432 175.432 175.342 0.090 19229 5910 1 17 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.884 0.288 19229 5911 1 17 . 1 1 667 667 ASP CB C 667 41.069 41.069 39.583 1.486 19229 5912 1 17 . 1 1 667 667 ASP H H 667 8.325 8.325 8.759 -0.434 19229 5913 1 17 . 1 1 668 668 GLN N N 668 121.978 121.978 119.344 2.634 19229 5914 1 17 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.666 -0.469 19229 5915 1 17 . 1 1 668 668 GLN C C 668 175.420 175.420 175.218 0.202 19229 5916 1 17 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.733 0.492 19229 5917 1 17 . 1 1 668 668 GLN CB C 668 30.149 30.149 33.240 -3.091 19229 5918 1 17 . 1 1 668 668 GLN H H 668 8.083 8.083 7.950 0.133 19229 5919 1 17 . 1 1 669 669 ILE N N 669 120.079 120.079 121.489 -1.410 19229 5920 1 17 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.033 -0.155 19229 5921 1 17 . 1 1 669 669 ILE C C 669 175.347 175.347 177.014 -1.667 19229 5922 1 17 . 1 1 669 669 ILE CA C 669 61.499 61.499 63.349 -1.850 19229 5923 1 17 . 1 1 669 669 ILE CB C 669 37.123 37.123 37.508 -0.384 19229 5924 1 17 . 1 1 669 669 ILE H H 669 8.155 8.155 8.725 -0.570 19229 5925 1 17 . 1 1 670 670 ASP N N 670 123.410 123.410 118.582 4.828 19229 5926 1 17 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.371 0.055 19229 5927 1 17 . 1 1 670 670 ASP C C 670 176.124 176.124 176.754 -0.630 19229 5928 1 17 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.635 -3.026 19229 5929 1 17 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.689 0.450 19229 5930 1 17 . 1 1 670 670 ASP H H 670 7.992 7.992 8.200 -0.208 19229 5931 1 17 . 1 1 671 671 ARG N N 671 118.285 118.285 118.147 0.138 19229 5932 1 17 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.521 -0.352 19229 5933 1 17 . 1 1 671 671 ARG C C 671 176.476 176.476 175.738 0.738 19229 5934 1 17 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.994 -0.956 19229 5935 1 17 . 1 1 671 671 ARG CB C 671 29.552 29.552 32.436 -2.884 19229 5936 1 17 . 1 1 671 671 ARG H H 671 8.274 8.274 7.543 0.731 19229 5937 1 17 . 1 1 672 672 LYS N N 672 122.196 122.196 118.520 3.676 19229 5938 1 17 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.857 -0.371 19229 5939 1 17 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.465 2.482 19229 5940 1 17 . 1 1 672 672 LYS CB C 672 32.262 32.262 33.367 -1.105 19229 5941 1 17 . 1 1 672 672 LYS H H 672 8.060 8.060 8.165 -0.105 19229 5942 1 17 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.320 0.078 19229 5943 1 17 . 1 1 673 673 PRO C C 673 177.204 177.204 175.632 1.572 19229 5944 1 17 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.612 0.352 19229 5945 1 17 . 1 1 673 673 PRO CB C 673 32.538 32.538 31.830 0.708 19229 5946 1 17 . 1 1 674 674 ARG N N 674 123.076 123.076 120.476 2.600 19229 5947 1 17 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.681 0.807 19229 5948 1 17 . 1 1 674 674 ARG C C 674 174.473 174.473 174.526 -0.053 19229 5949 1 17 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.598 0.386 19229 5950 1 17 . 1 1 674 674 ARG CB C 674 35.552 35.552 33.340 2.212 19229 5951 1 17 . 1 1 674 674 ARG H H 674 8.982 8.982 8.092 0.890 19229 5952 1 17 . 1 1 675 675 VAL N N 675 116.941 116.941 119.252 -2.311 19229 5953 1 17 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.069 0.381 19229 5954 1 17 . 1 1 675 675 VAL C C 675 171.342 171.342 175.251 -3.909 19229 5955 1 17 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.627 -1.101 19229 5956 1 17 . 1 1 675 675 VAL CB C 675 35.310 35.310 33.051 2.259 19229 5957 1 17 . 1 1 675 675 VAL H H 675 9.109 9.109 8.530 0.579 19229 5958 1 17 . 1 1 676 676 GLN N N 676 126.293 126.293 126.699 -0.406 19229 5959 1 17 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.822 -0.769 19229 5960 1 17 . 1 1 676 676 GLN C C 676 174.910 174.910 175.505 -0.595 19229 5961 1 17 . 1 1 676 676 GLN CA C 676 53.209 53.209 55.099 -1.890 19229 5962 1 17 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.752 1.348 19229 5963 1 17 . 1 1 676 676 GLN H H 676 7.755 7.755 8.683 -0.928 19229 5964 1 17 . 1 1 677 677 CYS N N 677 128.217 128.217 126.703 1.514 19229 5965 1 17 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.821 -0.748 19229 5966 1 17 . 1 1 677 677 CYS C C 677 177.471 177.471 176.564 0.907 19229 5967 1 17 . 1 1 677 677 CYS CA C 677 59.449 59.449 57.931 1.518 19229 5968 1 17 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.579 5.148 19229 5969 1 17 . 1 1 677 677 CYS H H 677 8.366 8.366 8.678 -0.312 19229 5970 1 17 . 1 1 678 678 LEU N N 678 131.279 131.279 126.979 4.300 19229 5971 1 17 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.098 -0.260 19229 5972 1 17 . 1 1 678 678 LEU C C 678 176.718 176.718 177.695 -0.977 19229 5973 1 17 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.414 -0.565 19229 5974 1 17 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.146 0.908 19229 5975 1 17 . 1 1 678 678 LEU H H 678 8.304 8.304 8.283 0.021 19229 5976 1 17 . 1 1 679 679 LYS N N 679 120.707 120.707 119.192 1.515 19229 5977 1 17 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.011 0.324 19229 5978 1 17 . 1 1 679 679 LYS C C 679 176.160 176.160 176.981 -0.821 19229 5979 1 17 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.320 -0.334 19229 5980 1 17 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.765 0.272 19229 5981 1 17 . 1 1 679 679 LYS H H 679 8.752 8.752 8.426 0.326 19229 5982 1 17 . 1 1 680 680 CYS N N 680 118.211 118.211 113.851 4.360 19229 5983 1 17 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.666 -0.200 19229 5984 1 17 . 1 1 680 680 CYS C C 680 176.306 176.306 174.436 1.870 19229 5985 1 17 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.491 1.683 19229 5986 1 17 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.604 3.742 19229 5987 1 17 . 1 1 680 680 CYS H H 680 8.230 8.230 7.575 0.654 19229 5988 1 17 . 1 1 681 681 HIS N N 681 113.392 113.392 116.859 -3.467 19229 5989 1 17 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.863 0.341 19229 5990 1 17 . 1 1 681 681 HIS C C 681 173.478 173.478 172.955 0.523 19229 5991 1 17 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.541 0.449 19229 5992 1 17 . 1 1 681 681 HIS CB C 681 26.556 26.556 26.763 -0.207 19229 5993 1 17 . 1 1 681 681 HIS H H 681 7.149 7.149 7.782 -0.633 19229 5994 1 17 . 1 1 682 682 LEU N N 682 124.066 124.066 120.998 3.068 19229 5995 1 17 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.289 0.006 19229 5996 1 17 . 1 1 682 682 LEU C C 682 176.670 176.670 175.309 1.361 19229 5997 1 17 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.160 3.067 19229 5998 1 17 . 1 1 682 682 LEU CB C 682 44.035 44.035 42.539 1.496 19229 5999 1 17 . 1 1 682 682 LEU H H 682 8.172 8.172 7.220 0.952 19229 6000 1 17 . 1 1 683 683 TRP N N 683 124.208 124.208 126.236 -2.028 19229 6001 1 17 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.675 0.416 19229 6002 1 17 . 1 1 683 683 TRP C C 683 174.133 174.133 175.343 -1.210 19229 6003 1 17 . 1 1 683 683 TRP CA C 683 56.723 56.723 56.020 0.703 19229 6004 1 17 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.630 1.184 19229 6005 1 17 . 1 1 683 683 TRP H H 683 8.666 8.666 8.432 0.234 19229 6006 1 17 . 1 1 684 684 GLN N N 684 114.943 114.943 118.764 -3.821 19229 6007 1 17 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.677 -0.712 19229 6008 1 17 . 1 1 684 684 GLN C C 684 176.002 176.002 174.537 1.465 19229 6009 1 17 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.501 0.094 19229 6010 1 17 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.843 -1.088 19229 6011 1 17 . 1 1 684 684 GLN H H 684 8.655 8.655 8.753 -0.098 19229 6012 1 17 . 1 1 685 685 HIS N N 685 121.485 121.485 119.199 2.286 19229 6013 1 17 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.706 0.305 19229 6014 1 17 . 1 1 685 685 HIS C C 685 175.990 175.990 176.143 -0.153 19229 6015 1 17 . 1 1 685 685 HIS CA C 685 58.024 58.024 56.862 1.162 19229 6016 1 17 . 1 1 685 685 HIS CB C 685 31.454 31.454 30.564 0.891 19229 6017 1 17 . 1 1 685 685 HIS H H 685 9.487 9.487 8.420 1.067 19229 6018 1 17 . 1 1 686 686 ALA N N 686 125.728 125.728 129.220 -3.492 19229 6019 1 17 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.174 -0.472 19229 6020 1 17 . 1 1 686 686 ALA C C 686 179.000 179.000 179.058 -0.058 19229 6021 1 17 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.588 -0.430 19229 6022 1 17 . 1 1 686 686 ALA CB C 686 17.858 17.858 18.802 -0.944 19229 6023 1 17 . 1 1 686 686 ALA H H 686 8.436 8.436 8.706 -0.270 19229 6024 1 17 . 1 1 687 687 LYS N N 687 116.216 116.216 115.397 0.819 19229 6025 1 17 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.400 -0.276 19229 6026 1 17 . 1 1 687 687 LYS C C 687 180.129 180.129 176.445 3.684 19229 6027 1 17 . 1 1 687 687 LYS CA C 687 58.681 58.681 57.041 1.640 19229 6028 1 17 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.569 0.693 19229 6029 1 17 . 1 1 687 687 LYS H H 687 9.407 9.407 8.418 0.989 19229 6030 1 17 . 1 1 688 688 CYS N N 688 117.136 117.136 118.220 -1.084 19229 6031 1 17 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.617 -0.688 19229 6032 1 17 . 1 1 688 688 CYS C C 688 176.439 176.439 175.707 0.732 19229 6033 1 17 . 1 1 688 688 CYS CA C 688 62.584 62.584 59.556 3.028 19229 6034 1 17 . 1 1 688 688 CYS CB C 688 30.149 30.149 27.811 2.338 19229 6035 1 17 . 1 1 688 688 CYS H H 688 6.702 6.702 7.676 -0.974 19229 6036 1 17 . 1 1 689 689 VAL N N 689 106.705 106.705 114.521 -7.816 19229 6037 1 17 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.371 0.043 19229 6038 1 17 . 1 1 689 689 VAL C C 689 175.007 175.007 174.888 0.119 19229 6039 1 17 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.866 -1.706 19229 6040 1 17 . 1 1 689 689 VAL CB C 689 30.924 30.924 33.167 -2.244 19229 6041 1 17 . 1 1 689 689 VAL H H 689 6.932 6.932 7.240 -0.308 19229 6042 1 17 . 1 1 690 690 ASN N N 690 117.807 117.807 118.065 -0.258 19229 6043 1 17 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.440 -0.174 19229 6044 1 17 . 1 1 690 690 ASN C C 690 173.405 173.405 173.695 -0.290 19229 6045 1 17 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.224 -0.077 19229 6046 1 17 . 1 1 690 690 ASN CB C 690 37.094 37.094 37.892 -0.798 19229 6047 1 17 . 1 1 690 690 ASN H H 690 7.770 7.770 8.242 -0.472 19229 6048 1 17 . 1 1 691 691 TYR N N 691 120.010 120.010 122.205 -2.195 19229 6049 1 17 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.660 -0.220 19229 6050 1 17 . 1 1 691 691 TYR C C 691 174.073 174.073 173.165 0.908 19229 6051 1 17 . 1 1 691 691 TYR CA C 691 57.695 57.695 58.264 -0.569 19229 6052 1 17 . 1 1 691 691 TYR CB C 691 40.575 40.575 41.676 -1.101 19229 6053 1 17 . 1 1 691 691 TYR H H 691 8.271 8.271 7.797 0.474 19229 6054 1 17 . 1 1 692 692 ASP N N 692 126.612 126.612 119.233 7.379 19229 6055 1 17 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.767 -0.402 19229 6056 1 17 . 1 1 692 692 ASP C C 692 175.663 175.663 175.305 0.358 19229 6057 1 17 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.830 0.004 19229 6058 1 17 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.638 -2.264 19229 6059 1 17 . 1 1 692 692 ASP H H 692 7.799 7.799 7.715 0.084 19229 6060 1 17 . 1 1 693 693 GLU N N 693 125.198 125.198 116.625 8.573 19229 6061 1 17 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.029 -0.105 19229 6062 1 17 . 1 1 693 693 GLU C C 693 177.119 177.119 178.055 -0.936 19229 6063 1 17 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.739 -0.551 19229 6064 1 17 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.173 -0.076 19229 6065 1 17 . 1 1 693 693 GLU H H 693 8.792 8.792 8.701 0.091 19229 6066 1 17 . 1 1 694 694 LYS N N 694 120.048 120.048 120.551 -0.503 19229 6067 1 17 . 1 1 694 694 LYS HA H 694 4.070 4.070 3.965 0.105 19229 6068 1 17 . 1 1 694 694 LYS C C 694 177.168 177.168 179.257 -2.089 19229 6069 1 17 . 1 1 694 694 LYS CA C 694 57.554 57.554 59.133 -1.579 19229 6070 1 17 . 1 1 694 694 LYS CB C 694 31.487 31.487 31.972 -0.485 19229 6071 1 17 . 1 1 694 694 LYS H H 694 8.294 8.294 7.721 0.573 19229 6072 1 17 . 1 1 695 695 ASN N N 695 117.271 117.271 117.928 -0.657 19229 6073 1 17 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.450 0.160 19229 6074 1 17 . 1 1 695 695 ASN C C 695 175.517 175.517 177.155 -1.638 19229 6075 1 17 . 1 1 695 695 ASN CA C 695 52.975 52.975 54.822 -1.847 19229 6076 1 17 . 1 1 695 695 ASN CB C 695 38.673 38.673 38.290 0.383 19229 6077 1 17 . 1 1 695 695 ASN H H 695 7.809 7.809 8.007 -0.198 19229 6078 1 17 . 1 1 696 696 LEU N N 696 122.015 122.015 122.484 -0.469 19229 6079 1 17 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.337 -0.129 19229 6080 1 17 . 1 1 696 696 LEU C C 696 177.823 177.823 177.516 0.307 19229 6081 1 17 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.616 -0.414 19229 6082 1 17 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.166 -0.041 19229 6083 1 17 . 1 1 696 696 LEU H H 696 7.764 7.764 7.331 0.433 19229 6084 1 17 . 1 1 697 697 LYS N N 697 116.437 116.437 117.409 -0.972 19229 6085 1 17 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.201 -0.064 19229 6086 1 17 . 1 1 697 697 LYS C C 697 176.536 176.536 176.536 0.000 19229 6087 1 17 . 1 1 697 697 LYS CA C 697 56.957 56.957 57.676 -0.719 19229 6088 1 17 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.373 -0.322 19229 6089 1 17 . 1 1 697 697 LYS H H 697 8.277 8.277 7.749 0.528 19229 6090 1 17 . 1 1 698 698 ILE N N 698 117.807 117.807 112.594 5.213 19229 6091 1 17 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.345 -0.278 19229 6092 1 17 . 1 1 698 698 ILE C C 698 175.700 175.700 176.519 -0.819 19229 6093 1 17 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.694 0.133 19229 6094 1 17 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.547 -0.381 19229 6095 1 17 . 1 1 698 698 ILE H H 698 7.650 7.650 7.324 0.326 19229 6096 1 17 . 1 1 699 699 LYS N N 699 123.286 123.286 121.950 1.336 19229 6097 1 17 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.788 -0.033 19229 6098 1 17 . 1 1 699 699 LYS CA C 699 53.397 53.397 53.695 -0.298 19229 6099 1 17 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.192 1.409 19229 6100 1 17 . 1 1 699 699 LYS H H 699 8.121 8.121 8.005 0.116 19229 6101 1 17 . 1 1 700 700 PRO HA H 700 4.250 4.250 3.953 0.297 19229 6102 1 17 . 1 1 700 700 PRO C C 700 175.213 175.213 175.692 -0.479 19229 6103 1 17 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.008 -0.208 19229 6104 1 17 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.966 0.756 19229 6105 1 17 . 1 1 701 701 PHE N N 701 122.959 122.959 116.184 6.775 19229 6106 1 17 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.478 -0.231 19229 6107 1 17 . 1 1 701 701 PHE C C 701 171.657 171.657 173.081 -1.424 19229 6108 1 17 . 1 1 701 701 PHE CA C 701 58.140 58.140 56.311 1.829 19229 6109 1 17 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.334 -1.886 19229 6110 1 17 . 1 1 701 701 PHE H H 701 8.042 8.042 7.151 0.891 19229 6111 1 17 . 1 1 702 702 TYR N N 702 123.854 123.854 121.159 2.695 19229 6112 1 17 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.802 0.228 19229 6113 1 17 . 1 1 702 702 TYR C C 702 173.915 173.915 175.387 -1.472 19229 6114 1 17 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.695 -1.889 19229 6115 1 17 . 1 1 702 702 TYR CB C 702 41.069 41.069 41.795 -0.726 19229 6116 1 17 . 1 1 702 702 TYR H H 702 6.754 6.754 7.786 -1.032 19229 6117 1 17 . 1 1 703 703 CYS N N 703 124.963 124.963 120.419 4.544 19229 6118 1 17 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.823 -0.570 19229 6119 1 17 . 1 1 703 703 CYS CA C 703 57.300 57.300 55.630 1.670 19229 6120 1 17 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.897 1.054 19229 6121 1 17 . 1 1 703 703 CYS H H 703 9.298 9.298 8.567 0.731 19229 6122 1 17 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.168 -0.121 19229 6123 1 17 . 1 1 704 704 PRO C C 704 178.818 178.818 178.021 0.797 19229 6124 1 17 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.434 0.217 19229 6125 1 17 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.555 0.436 19229 6126 1 17 . 1 1 705 705 HIS N N 705 115.532 115.532 116.490 -0.958 19229 6127 1 17 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.230 0.052 19229 6128 1 17 . 1 1 705 705 HIS C C 705 177.689 177.689 176.309 1.380 19229 6129 1 17 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.949 -1.303 19229 6130 1 17 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.683 0.043 19229 6131 1 17 . 1 1 705 705 HIS H H 705 7.843 7.843 8.564 -0.721 19229 6132 1 17 . 1 1 706 706 CYS N N 706 124.314 124.314 118.359 5.955 19229 6133 1 17 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.107 -0.336 19229 6134 1 17 . 1 1 706 706 CYS C C 706 177.204 177.204 177.079 0.125 19229 6135 1 17 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.052 1.195 19229 6136 1 17 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.498 2.945 19229 6137 1 17 . 1 1 706 706 CYS H H 706 8.442 8.442 7.902 0.540 19229 6138 1 17 . 1 1 707 707 LEU N N 707 119.208 119.208 120.243 -1.035 19229 6139 1 17 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.862 -0.112 19229 6140 1 17 . 1 1 707 707 LEU C C 707 178.903 178.903 179.014 -0.111 19229 6141 1 17 . 1 1 707 707 LEU CA C 707 57.202 57.202 57.810 -0.608 19229 6142 1 17 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.566 0.416 19229 6143 1 17 . 1 1 707 707 LEU H H 707 8.162 8.162 7.364 0.798 19229 6144 1 17 . 1 1 708 708 VAL N N 708 116.959 116.959 117.732 -0.773 19229 6145 1 17 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.986 -0.237 19229 6146 1 17 . 1 1 708 708 VAL C C 708 176.876 176.876 178.469 -1.593 19229 6147 1 17 . 1 1 708 708 VAL CA C 708 64.077 64.077 65.370 -1.293 19229 6148 1 17 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.713 0.271 19229 6149 1 17 . 1 1 708 708 VAL H H 708 7.161 7.161 7.894 -0.733 19229 6150 1 17 . 1 1 709 709 ALA N N 709 122.758 122.758 121.188 1.570 19229 6151 1 17 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.088 0.025 19229 6152 1 17 . 1 1 709 709 ALA C C 709 177.859 177.859 178.448 -0.589 19229 6153 1 17 . 1 1 709 709 ALA CA C 709 52.693 52.693 53.977 -1.284 19229 6154 1 17 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.411 0.325 19229 6155 1 17 . 1 1 709 709 ALA H H 709 7.408 7.408 7.431 -0.023 19229 6156 1 17 . 1 1 710 710 MET N N 710 117.242 117.242 116.055 1.187 19229 6157 1 17 . 1 1 710 710 MET HA H 710 4.197 4.197 4.408 -0.211 19229 6158 1 17 . 1 1 710 710 MET C C 710 175.832 175.832 176.326 -0.494 19229 6159 1 17 . 1 1 710 710 MET CA C 710 55.557 55.557 56.096 -0.539 19229 6160 1 17 . 1 1 710 710 MET CB C 710 33.440 33.440 33.068 0.372 19229 6161 1 17 . 1 1 710 710 MET H H 710 7.586 7.586 7.326 0.260 19229 6162 1 17 . 1 1 711 711 GLU N N 711 122.546 122.546 120.205 2.341 19229 6163 1 17 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.516 -0.129 19229 6164 1 17 . 1 1 711 711 GLU CA C 711 54.384 54.384 54.487 -0.103 19229 6165 1 17 . 1 1 711 711 GLU CB C 711 29.444 29.444 29.446 -0.002 19229 6166 1 17 . 1 1 711 711 GLU H H 711 7.828 7.828 7.322 0.506 19229 6167 1 17 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.334 -0.002 19229 6168 1 17 . 1 1 712 712 PRO C C 712 176.876 176.876 176.684 0.192 19229 6169 1 17 . 1 1 712 712 PRO CA C 712 62.994 62.994 63.491 -0.497 19229 6170 1 17 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.118 -0.196 19229 6171 1 17 . 1 1 713 713 VAL N N 713 120.328 120.328 115.936 4.392 19229 6172 1 17 . 1 1 713 713 VAL HA H 713 3.993 3.993 3.741 0.252 19229 6173 1 17 . 1 1 713 713 VAL C C 713 176.257 176.257 175.760 0.497 19229 6174 1 17 . 1 1 713 713 VAL CA C 713 62.133 62.133 63.129 -0.996 19229 6175 1 17 . 1 1 713 713 VAL CB C 713 32.615 32.615 30.629 1.986 19229 6176 1 17 . 1 1 713 713 VAL H H 713 8.157 8.157 8.226 -0.069 19229 6177 1 17 . 1 1 714 714 SER N N 714 119.503 119.503 117.039 2.464 19229 6178 1 17 . 1 1 714 714 SER HA H 714 4.440 4.440 4.437 0.003 19229 6179 1 17 . 1 1 714 714 SER C C 714 174.619 174.619 173.730 0.889 19229 6180 1 17 . 1 1 714 714 SER CA C 714 57.976 57.976 58.108 -0.132 19229 6181 1 17 . 1 1 714 714 SER CB C 714 63.816 63.816 62.043 1.773 19229 6182 1 17 . 1 1 714 714 SER H H 714 8.368 8.368 7.921 0.447 19229 6183 1 17 . 1 1 715 715 THR N N 715 116.281 116.281 116.831 -0.550 19229 6184 1 17 . 1 1 715 715 THR HA H 715 4.261 4.261 4.455 -0.194 19229 6185 1 17 . 1 1 715 715 THR C C 715 173.559 173.559 173.298 0.261 19229 6186 1 17 . 1 1 715 715 THR CA C 715 61.499 61.499 62.031 -0.532 19229 6187 1 17 . 1 1 715 715 THR CB C 715 69.476 69.476 69.987 -0.511 19229 6188 1 17 . 1 1 715 715 THR H H 715 8.141 8.141 7.786 0.355 19229 6189 1 18 . 1 1 653 653 ASN N N 653 120.067 120.067 123.300 -3.233 19229 6190 1 18 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.851 -0.263 19229 6191 1 18 . 1 1 653 653 ASN C C 653 175.383 175.383 174.489 0.894 19229 6192 1 18 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.874 -0.680 19229 6193 1 18 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.655 0.158 19229 6194 1 18 . 1 1 653 653 ASN H H 653 8.357 8.357 8.610 -0.253 19229 6195 1 18 . 1 1 654 654 THR N N 654 113.812 113.812 115.257 -1.445 19229 6196 1 18 . 1 1 654 654 THR HA H 654 4.260 4.260 4.417 -0.157 19229 6197 1 18 . 1 1 654 654 THR C C 654 174.825 174.825 174.022 0.803 19229 6198 1 18 . 1 1 654 654 THR CA C 654 61.806 61.806 61.616 0.190 19229 6199 1 18 . 1 1 654 654 THR CB C 654 69.645 69.645 69.998 -0.353 19229 6200 1 18 . 1 1 654 654 THR H H 654 8.040 8.040 8.077 -0.037 19229 6201 1 18 . 1 1 655 655 SER N N 655 117.231 117.231 119.063 -1.832 19229 6202 1 18 . 1 1 655 655 SER HA H 655 4.367 4.367 4.266 0.101 19229 6203 1 18 . 1 1 655 655 SER C C 655 174.218 174.218 174.010 0.208 19229 6204 1 18 . 1 1 655 655 SER CA C 655 58.681 58.681 58.966 -0.285 19229 6205 1 18 . 1 1 655 655 SER CB C 655 63.586 63.586 63.739 -0.153 19229 6206 1 18 . 1 1 655 655 SER H H 655 8.277 8.277 8.487 -0.210 19229 6207 1 18 . 1 1 656 656 ASP N N 656 121.799 121.799 122.940 -1.141 19229 6208 1 18 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.593 -0.062 19229 6209 1 18 . 1 1 656 656 ASP C C 656 175.250 175.250 174.889 0.361 19229 6210 1 18 . 1 1 656 656 ASP CA C 656 54.385 54.385 54.616 -0.231 19229 6211 1 18 . 1 1 656 656 ASP CB C 656 41.069 41.069 41.249 -0.180 19229 6212 1 18 . 1 1 656 656 ASP H H 656 8.197 8.197 7.570 0.627 19229 6213 1 18 . 1 1 657 657 TYR N N 657 122.165 122.165 121.481 0.684 19229 6214 1 18 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.378 0.068 19229 6215 1 18 . 1 1 657 657 TYR C C 657 174.607 174.607 176.168 -1.561 19229 6216 1 18 . 1 1 657 657 TYR CA C 657 58.688 58.688 56.783 1.905 19229 6217 1 18 . 1 1 657 657 TYR CB C 657 39.025 39.025 39.849 -0.824 19229 6218 1 18 . 1 1 657 657 TYR H H 657 8.023 8.023 8.013 0.010 19229 6219 1 18 . 1 1 658 658 ARG N N 658 128.309 128.309 121.765 6.544 19229 6220 1 18 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.163 0.214 19229 6221 1 18 . 1 1 658 658 ARG C C 658 172.871 172.871 175.036 -2.165 19229 6222 1 18 . 1 1 658 658 ARG CA C 658 55.440 55.440 54.970 0.470 19229 6223 1 18 . 1 1 658 658 ARG CB C 658 32.262 32.262 27.697 4.565 19229 6224 1 18 . 1 1 658 658 ARG H H 658 8.637 8.637 8.772 -0.135 19229 6225 1 18 . 1 1 659 659 PHE N N 659 125.304 125.304 119.996 5.308 19229 6226 1 18 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.438 0.487 19229 6227 1 18 . 1 1 659 659 PHE C C 659 174.558 174.558 175.208 -0.650 19229 6228 1 18 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.290 0.181 19229 6229 1 18 . 1 1 659 659 PHE CB C 659 41.719 41.719 37.482 4.237 19229 6230 1 18 . 1 1 659 659 PHE H H 659 8.551 8.551 7.013 1.538 19229 6231 1 18 . 1 1 660 660 GLU N N 660 128.804 128.804 123.454 5.350 19229 6232 1 18 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.593 -0.639 19229 6233 1 18 . 1 1 660 660 GLU C C 660 172.361 172.361 174.754 -2.393 19229 6234 1 18 . 1 1 660 660 GLU CA C 660 56.471 56.471 54.643 1.828 19229 6235 1 18 . 1 1 660 660 GLU CB C 660 31.644 31.644 33.466 -1.822 19229 6236 1 18 . 1 1 660 660 GLU H H 660 7.833 7.833 7.879 -0.046 19229 6237 1 18 . 1 1 661 661 CYS N N 661 127.001 127.001 122.045 4.956 19229 6238 1 18 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.513 -0.155 19229 6239 1 18 . 1 1 661 661 CYS C C 661 176.221 176.221 177.588 -1.367 19229 6240 1 18 . 1 1 661 661 CYS CA C 661 59.045 59.045 59.237 -0.192 19229 6241 1 18 . 1 1 661 661 CYS CB C 661 30.839 30.839 27.329 3.510 19229 6242 1 18 . 1 1 661 661 CYS H H 661 8.356 8.356 8.790 -0.434 19229 6243 1 18 . 1 1 662 662 ILE N N 662 127.765 127.765 125.172 2.593 19229 6244 1 18 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.937 0.191 19229 6245 1 18 . 1 1 662 662 ILE C C 662 176.439 176.439 176.352 0.087 19229 6246 1 18 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.399 -0.093 19229 6247 1 18 . 1 1 662 662 ILE CB C 662 38.462 38.462 36.903 1.559 19229 6248 1 18 . 1 1 662 662 ILE H H 662 8.075 8.075 8.737 -0.662 19229 6249 1 18 . 1 1 663 663 CYS N N 663 120.000 120.000 117.075 2.925 19229 6250 1 18 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.796 -0.258 19229 6251 1 18 . 1 1 663 663 CYS C C 663 177.046 177.046 176.407 0.639 19229 6252 1 18 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.386 0.506 19229 6253 1 18 . 1 1 663 663 CYS CB C 663 30.994 30.994 27.790 3.204 19229 6254 1 18 . 1 1 663 663 CYS H H 663 7.661 7.661 8.216 -0.555 19229 6255 1 18 . 1 1 664 664 GLY N N 664 110.372 110.372 111.624 -1.252 19229 6256 1 18 . 1 1 664 664 GLY C C 664 173.818 173.818 174.933 -1.115 19229 6257 1 18 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.832 0.027 19229 6258 1 18 . 1 1 664 664 GLY H H 664 7.855 7.855 8.183 -0.328 19229 6259 1 18 . 1 1 665 665 GLU N N 665 122.002 122.002 119.688 2.314 19229 6260 1 18 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.513 -0.160 19229 6261 1 18 . 1 1 665 665 GLU C C 665 175.990 175.990 176.725 -0.735 19229 6262 1 18 . 1 1 665 665 GLU CA C 665 56.286 56.286 57.429 -1.143 19229 6263 1 18 . 1 1 665 665 GLU CB C 665 31.276 31.276 30.823 0.453 19229 6264 1 18 . 1 1 665 665 GLU H H 665 8.276 8.276 7.985 0.291 19229 6265 1 18 . 1 1 666 666 LEU N N 666 122.355 122.355 117.472 4.883 19229 6266 1 18 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.674 -0.325 19229 6267 1 18 . 1 1 666 666 LEU C C 666 176.816 176.816 174.473 2.343 19229 6268 1 18 . 1 1 666 666 LEU CA C 666 54.595 54.595 53.906 0.690 19229 6269 1 18 . 1 1 666 666 LEU CB C 666 42.549 42.549 45.483 -2.934 19229 6270 1 18 . 1 1 666 666 LEU H H 666 8.341 8.341 8.004 0.337 19229 6271 1 18 . 1 1 667 667 ASP N N 667 121.075 121.075 120.198 0.877 19229 6272 1 18 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.677 -0.631 19229 6273 1 18 . 1 1 667 667 ASP C C 667 175.432 175.432 174.529 0.903 19229 6274 1 18 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.889 0.283 19229 6275 1 18 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.483 -0.414 19229 6276 1 18 . 1 1 667 667 ASP H H 667 8.325 8.325 8.394 -0.069 19229 6277 1 18 . 1 1 668 668 GLN N N 668 121.978 121.978 122.834 -0.856 19229 6278 1 18 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.687 -0.490 19229 6279 1 18 . 1 1 668 668 GLN C C 668 175.420 175.420 174.207 1.213 19229 6280 1 18 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.495 0.730 19229 6281 1 18 . 1 1 668 668 GLN CB C 668 30.149 30.149 30.423 -0.274 19229 6282 1 18 . 1 1 668 668 GLN H H 668 8.083 8.083 8.106 -0.023 19229 6283 1 18 . 1 1 669 669 ILE N N 669 120.079 120.079 117.140 2.939 19229 6284 1 18 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.276 -0.398 19229 6285 1 18 . 1 1 669 669 ILE C C 669 175.347 175.347 176.002 -0.655 19229 6286 1 18 . 1 1 669 669 ILE CA C 669 61.499 61.499 61.374 0.125 19229 6287 1 18 . 1 1 669 669 ILE CB C 669 37.123 37.123 38.789 -1.666 19229 6288 1 18 . 1 1 669 669 ILE H H 669 8.155 8.155 8.391 -0.236 19229 6289 1 18 . 1 1 670 670 ASP N N 670 123.410 123.410 120.124 3.286 19229 6290 1 18 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.334 0.092 19229 6291 1 18 . 1 1 670 670 ASP C C 670 176.124 176.124 177.831 -1.707 19229 6292 1 18 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.718 -3.109 19229 6293 1 18 . 1 1 670 670 ASP CB C 670 41.139 41.139 41.144 -0.005 19229 6294 1 18 . 1 1 670 670 ASP H H 670 7.992 7.992 7.938 0.054 19229 6295 1 18 . 1 1 671 671 ARG N N 671 118.285 118.285 119.219 -0.934 19229 6296 1 18 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.378 -0.209 19229 6297 1 18 . 1 1 671 671 ARG C C 671 176.476 176.476 176.319 0.157 19229 6298 1 18 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.863 -0.825 19229 6299 1 18 . 1 1 671 671 ARG CB C 671 29.552 29.552 31.660 -2.108 19229 6300 1 18 . 1 1 671 671 ARG H H 671 8.274 8.274 8.248 0.026 19229 6301 1 18 . 1 1 672 672 LYS N N 672 122.196 122.196 119.184 3.012 19229 6302 1 18 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.666 -0.180 19229 6303 1 18 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.581 2.366 19229 6304 1 18 . 1 1 672 672 LYS CB C 672 32.262 32.262 32.439 -0.177 19229 6305 1 18 . 1 1 672 672 LYS H H 672 8.060 8.060 8.006 0.054 19229 6306 1 18 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.465 -0.067 19229 6307 1 18 . 1 1 673 673 PRO C C 673 177.204 177.204 176.031 1.173 19229 6308 1 18 . 1 1 673 673 PRO CA C 673 63.964 63.964 62.887 1.077 19229 6309 1 18 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.608 -0.070 19229 6310 1 18 . 1 1 674 674 ARG N N 674 123.076 123.076 119.933 3.143 19229 6311 1 18 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.774 0.714 19229 6312 1 18 . 1 1 674 674 ARG C C 674 174.473 174.473 175.098 -0.625 19229 6313 1 18 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.752 0.232 19229 6314 1 18 . 1 1 674 674 ARG CB C 674 35.552 35.552 33.161 2.391 19229 6315 1 18 . 1 1 674 674 ARG H H 674 8.982 8.982 8.335 0.647 19229 6316 1 18 . 1 1 675 675 VAL N N 675 116.941 116.941 115.810 1.131 19229 6317 1 18 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.387 0.063 19229 6318 1 18 . 1 1 675 675 VAL C C 675 171.342 171.342 174.787 -3.445 19229 6319 1 18 . 1 1 675 675 VAL CA C 675 59.526 59.526 59.178 0.348 19229 6320 1 18 . 1 1 675 675 VAL CB C 675 35.310 35.310 34.809 0.502 19229 6321 1 18 . 1 1 675 675 VAL H H 675 9.109 9.109 8.315 0.794 19229 6322 1 18 . 1 1 676 676 GLN N N 676 126.293 126.293 123.572 2.721 19229 6323 1 18 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.915 -0.862 19229 6324 1 18 . 1 1 676 676 GLN C C 676 174.910 174.910 175.020 -0.110 19229 6325 1 18 . 1 1 676 676 GLN CA C 676 53.209 53.209 54.157 -0.948 19229 6326 1 18 . 1 1 676 676 GLN CB C 676 29.100 29.100 30.749 -1.649 19229 6327 1 18 . 1 1 676 676 GLN H H 676 7.755 7.755 8.172 -0.417 19229 6328 1 18 . 1 1 677 677 CYS N N 677 128.217 128.217 120.038 8.179 19229 6329 1 18 . 1 1 677 677 CYS HA H 677 4.073 4.073 5.281 -1.208 19229 6330 1 18 . 1 1 677 677 CYS C C 677 177.471 177.471 176.543 0.928 19229 6331 1 18 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.178 1.271 19229 6332 1 18 . 1 1 677 677 CYS CB C 677 30.727 30.727 27.248 3.479 19229 6333 1 18 . 1 1 677 677 CYS H H 677 8.366 8.366 8.418 -0.052 19229 6334 1 18 . 1 1 678 678 LEU N N 678 131.279 131.279 126.710 4.569 19229 6335 1 18 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.151 -0.313 19229 6336 1 18 . 1 1 678 678 LEU C C 678 176.718 176.718 177.471 -0.753 19229 6337 1 18 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.639 -0.790 19229 6338 1 18 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.495 0.559 19229 6339 1 18 . 1 1 678 678 LEU H H 678 8.304 8.304 8.940 -0.636 19229 6340 1 18 . 1 1 679 679 LYS N N 679 120.707 120.707 118.428 2.279 19229 6341 1 18 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.119 0.216 19229 6342 1 18 . 1 1 679 679 LYS C C 679 176.160 176.160 176.839 -0.679 19229 6343 1 18 . 1 1 679 679 LYS CA C 679 57.986 57.986 57.975 0.011 19229 6344 1 18 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.748 0.289 19229 6345 1 18 . 1 1 679 679 LYS H H 679 8.752 8.752 8.470 0.282 19229 6346 1 18 . 1 1 680 680 CYS N N 680 118.211 118.211 114.966 3.245 19229 6347 1 18 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.583 -0.117 19229 6348 1 18 . 1 1 680 680 CYS C C 680 176.306 176.306 174.434 1.872 19229 6349 1 18 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.010 2.164 19229 6350 1 18 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.351 3.995 19229 6351 1 18 . 1 1 680 680 CYS H H 680 8.230 8.230 7.463 0.767 19229 6352 1 18 . 1 1 681 681 HIS N N 681 113.392 113.392 117.986 -4.594 19229 6353 1 18 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.944 0.260 19229 6354 1 18 . 1 1 681 681 HIS C C 681 173.478 173.478 172.948 0.530 19229 6355 1 18 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.537 0.453 19229 6356 1 18 . 1 1 681 681 HIS CB C 681 26.556 26.556 26.782 -0.226 19229 6357 1 18 . 1 1 681 681 HIS H H 681 7.149 7.149 7.749 -0.600 19229 6358 1 18 . 1 1 682 682 LEU N N 682 124.066 124.066 120.833 3.233 19229 6359 1 18 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.294 0.001 19229 6360 1 18 . 1 1 682 682 LEU C C 682 176.670 176.670 174.324 2.346 19229 6361 1 18 . 1 1 682 682 LEU CA C 682 56.227 56.227 52.783 3.444 19229 6362 1 18 . 1 1 682 682 LEU CB C 682 44.035 44.035 44.254 -0.219 19229 6363 1 18 . 1 1 682 682 LEU H H 682 8.172 8.172 7.394 0.778 19229 6364 1 18 . 1 1 683 683 TRP N N 683 124.208 124.208 124.027 0.181 19229 6365 1 18 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.764 0.327 19229 6366 1 18 . 1 1 683 683 TRP C C 683 174.133 174.133 174.876 -0.743 19229 6367 1 18 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.782 0.941 19229 6368 1 18 . 1 1 683 683 TRP CB C 683 31.814 31.814 31.117 0.697 19229 6369 1 18 . 1 1 683 683 TRP H H 683 8.666 8.666 8.028 0.638 19229 6370 1 18 . 1 1 684 684 GLN N N 684 114.943 114.943 119.110 -4.167 19229 6371 1 18 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.658 -0.693 19229 6372 1 18 . 1 1 684 684 GLN C C 684 176.002 176.002 174.562 1.440 19229 6373 1 18 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.231 0.364 19229 6374 1 18 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.622 -0.867 19229 6375 1 18 . 1 1 684 684 GLN H H 684 8.655 8.655 8.514 0.141 19229 6376 1 18 . 1 1 685 685 HIS N N 685 121.485 121.485 119.440 2.045 19229 6377 1 18 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.824 0.187 19229 6378 1 18 . 1 1 685 685 HIS C C 685 175.990 175.990 175.029 0.961 19229 6379 1 18 . 1 1 685 685 HIS CA C 685 58.024 58.024 56.133 1.891 19229 6380 1 18 . 1 1 685 685 HIS CB C 685 31.454 31.454 31.605 -0.151 19229 6381 1 18 . 1 1 685 685 HIS H H 685 9.487 9.487 8.192 1.295 19229 6382 1 18 . 1 1 686 686 ALA N N 686 125.728 125.728 126.237 -0.509 19229 6383 1 18 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.171 -0.469 19229 6384 1 18 . 1 1 686 686 ALA C C 686 179.000 179.000 179.434 -0.434 19229 6385 1 18 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.712 -0.554 19229 6386 1 18 . 1 1 686 686 ALA CB C 686 17.858 17.858 19.023 -1.165 19229 6387 1 18 . 1 1 686 686 ALA H H 686 8.436 8.436 8.528 -0.092 19229 6388 1 18 . 1 1 687 687 LYS N N 687 116.216 116.216 118.998 -2.782 19229 6389 1 18 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.312 -0.188 19229 6390 1 18 . 1 1 687 687 LYS C C 687 180.129 180.129 178.893 1.236 19229 6391 1 18 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.580 0.101 19229 6392 1 18 . 1 1 687 687 LYS CB C 687 32.262 32.262 32.056 0.206 19229 6393 1 18 . 1 1 687 687 LYS H H 687 9.407 9.407 8.583 0.824 19229 6394 1 18 . 1 1 688 688 CYS N N 688 117.136 117.136 116.259 0.877 19229 6395 1 18 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.502 -0.573 19229 6396 1 18 . 1 1 688 688 CYS C C 688 176.439 176.439 176.057 0.382 19229 6397 1 18 . 1 1 688 688 CYS CA C 688 62.584 62.584 61.103 1.481 19229 6398 1 18 . 1 1 688 688 CYS CB C 688 30.149 30.149 25.988 4.161 19229 6399 1 18 . 1 1 688 688 CYS H H 688 6.702 6.702 8.194 -1.492 19229 6400 1 18 . 1 1 689 689 VAL N N 689 106.705 106.705 115.045 -8.340 19229 6401 1 18 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.413 0.001 19229 6402 1 18 . 1 1 689 689 VAL C C 689 175.007 175.007 175.221 -0.214 19229 6403 1 18 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.679 -1.519 19229 6404 1 18 . 1 1 689 689 VAL CB C 689 30.924 30.924 32.617 -1.693 19229 6405 1 18 . 1 1 689 689 VAL H H 689 6.932 6.932 7.452 -0.520 19229 6406 1 18 . 1 1 690 690 ASN N N 690 117.807 117.807 119.095 -1.288 19229 6407 1 18 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.344 -0.078 19229 6408 1 18 . 1 1 690 690 ASN C C 690 173.405 173.405 173.002 0.403 19229 6409 1 18 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.622 -0.475 19229 6410 1 18 . 1 1 690 690 ASN CB C 690 37.094 37.094 36.652 0.442 19229 6411 1 18 . 1 1 690 690 ASN H H 690 7.770 7.770 7.646 0.124 19229 6412 1 18 . 1 1 691 691 TYR N N 691 120.010 120.010 121.346 -1.336 19229 6413 1 18 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.598 -0.158 19229 6414 1 18 . 1 1 691 691 TYR C C 691 174.073 174.073 173.050 1.023 19229 6415 1 18 . 1 1 691 691 TYR CA C 691 57.695 57.695 57.900 -0.205 19229 6416 1 18 . 1 1 691 691 TYR CB C 691 40.575 40.575 41.568 -0.993 19229 6417 1 18 . 1 1 691 691 TYR H H 691 8.271 8.271 7.647 0.624 19229 6418 1 18 . 1 1 692 692 ASP N N 692 126.612 126.612 118.549 8.063 19229 6419 1 18 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.835 -0.470 19229 6420 1 18 . 1 1 692 692 ASP C C 692 175.663 175.663 175.035 0.628 19229 6421 1 18 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.699 0.135 19229 6422 1 18 . 1 1 692 692 ASP CB C 692 41.374 41.374 44.084 -2.710 19229 6423 1 18 . 1 1 692 692 ASP H H 692 7.799 7.799 7.696 0.103 19229 6424 1 18 . 1 1 693 693 GLU N N 693 125.198 125.198 115.241 9.957 19229 6425 1 18 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.212 -0.288 19229 6426 1 18 . 1 1 693 693 GLU C C 693 177.119 177.119 178.077 -0.958 19229 6427 1 18 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.036 0.152 19229 6428 1 18 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.680 -0.583 19229 6429 1 18 . 1 1 693 693 GLU H H 693 8.792 8.792 8.730 0.062 19229 6430 1 18 . 1 1 694 694 LYS N N 694 120.048 120.048 120.767 -0.719 19229 6431 1 18 . 1 1 694 694 LYS HA H 694 4.070 4.070 4.052 0.018 19229 6432 1 18 . 1 1 694 694 LYS C C 694 177.168 177.168 178.543 -1.375 19229 6433 1 18 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.823 -1.269 19229 6434 1 18 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.173 -0.687 19229 6435 1 18 . 1 1 694 694 LYS H H 694 8.294 8.294 7.932 0.362 19229 6436 1 18 . 1 1 695 695 ASN N N 695 117.271 117.271 117.635 -0.364 19229 6437 1 18 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.552 0.058 19229 6438 1 18 . 1 1 695 695 ASN C C 695 175.517 175.517 176.846 -1.329 19229 6439 1 18 . 1 1 695 695 ASN CA C 695 52.975 52.975 54.536 -1.561 19229 6440 1 18 . 1 1 695 695 ASN CB C 695 38.673 38.673 38.477 0.196 19229 6441 1 18 . 1 1 695 695 ASN H H 695 7.809 7.809 8.160 -0.351 19229 6442 1 18 . 1 1 696 696 LEU N N 696 122.015 122.015 121.388 0.627 19229 6443 1 18 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.512 -0.304 19229 6444 1 18 . 1 1 696 696 LEU C C 696 177.823 177.823 177.754 0.069 19229 6445 1 18 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.339 -0.137 19229 6446 1 18 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.132 -0.007 19229 6447 1 18 . 1 1 696 696 LEU H H 696 7.764 7.764 7.581 0.183 19229 6448 1 18 . 1 1 697 697 LYS N N 697 116.437 116.437 118.368 -1.931 19229 6449 1 18 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.104 0.033 19229 6450 1 18 . 1 1 697 697 LYS C C 697 176.536 176.536 178.037 -1.501 19229 6451 1 18 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.879 -1.922 19229 6452 1 18 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.295 -0.244 19229 6453 1 18 . 1 1 697 697 LYS H H 697 8.277 8.277 7.610 0.667 19229 6454 1 18 . 1 1 698 698 ILE N N 698 117.807 117.807 117.279 0.528 19229 6455 1 18 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.120 -0.053 19229 6456 1 18 . 1 1 698 698 ILE C C 698 175.700 175.700 176.876 -1.176 19229 6457 1 18 . 1 1 698 698 ILE CA C 698 61.827 61.827 62.269 -0.442 19229 6458 1 18 . 1 1 698 698 ILE CB C 698 39.166 39.166 38.763 0.403 19229 6459 1 18 . 1 1 698 698 ILE H H 698 7.650 7.650 7.622 0.028 19229 6460 1 18 . 1 1 699 699 LYS N N 699 123.286 123.286 120.222 3.064 19229 6461 1 18 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.643 0.112 19229 6462 1 18 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.422 -1.025 19229 6463 1 18 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.476 1.125 19229 6464 1 18 . 1 1 699 699 LYS H H 699 8.121 8.121 8.175 -0.054 19229 6465 1 18 . 1 1 700 700 PRO HA H 700 4.250 4.250 3.883 0.367 19229 6466 1 18 . 1 1 700 700 PRO C C 700 175.213 175.213 175.110 0.103 19229 6467 1 18 . 1 1 700 700 PRO CA C 700 62.800 62.800 62.784 0.016 19229 6468 1 18 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.872 0.850 19229 6469 1 18 . 1 1 701 701 PHE N N 701 122.959 122.959 116.103 6.856 19229 6470 1 18 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.548 -0.301 19229 6471 1 18 . 1 1 701 701 PHE C C 701 171.657 171.657 173.414 -1.757 19229 6472 1 18 . 1 1 701 701 PHE CA C 701 58.140 58.140 56.338 1.802 19229 6473 1 18 . 1 1 701 701 PHE CB C 701 39.448 39.448 40.624 -1.176 19229 6474 1 18 . 1 1 701 701 PHE H H 701 8.042 8.042 7.112 0.930 19229 6475 1 18 . 1 1 702 702 TYR N N 702 123.854 123.854 122.077 1.777 19229 6476 1 18 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.803 0.227 19229 6477 1 18 . 1 1 702 702 TYR C C 702 173.915 173.915 175.567 -1.652 19229 6478 1 18 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.549 -1.743 19229 6479 1 18 . 1 1 702 702 TYR CB C 702 41.069 41.069 41.749 -0.680 19229 6480 1 18 . 1 1 702 702 TYR H H 702 6.754 6.754 7.891 -1.137 19229 6481 1 18 . 1 1 703 703 CYS N N 703 124.963 124.963 120.572 4.391 19229 6482 1 18 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.721 -0.468 19229 6483 1 18 . 1 1 703 703 CYS CA C 703 57.300 57.300 56.740 0.560 19229 6484 1 18 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.192 1.759 19229 6485 1 18 . 1 1 703 703 CYS H H 703 9.298 9.298 8.423 0.875 19229 6486 1 18 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.174 -0.127 19229 6487 1 18 . 1 1 704 704 PRO C C 704 178.818 178.818 177.934 0.884 19229 6488 1 18 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.789 -0.138 19229 6489 1 18 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.695 0.296 19229 6490 1 18 . 1 1 705 705 HIS N N 705 115.532 115.532 116.279 -0.747 19229 6491 1 18 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.281 0.001 19229 6492 1 18 . 1 1 705 705 HIS C C 705 177.689 177.689 177.126 0.563 19229 6493 1 18 . 1 1 705 705 HIS CA C 705 58.646 58.646 60.075 -1.429 19229 6494 1 18 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.603 0.123 19229 6495 1 18 . 1 1 705 705 HIS H H 705 7.843 7.843 8.453 -0.610 19229 6496 1 18 . 1 1 706 706 CYS N N 706 124.314 124.314 118.279 6.035 19229 6497 1 18 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.158 -0.387 19229 6498 1 18 . 1 1 706 706 CYS C C 706 177.204 177.204 177.101 0.103 19229 6499 1 18 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.363 0.884 19229 6500 1 18 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.116 3.327 19229 6501 1 18 . 1 1 706 706 CYS H H 706 8.442 8.442 7.900 0.542 19229 6502 1 18 . 1 1 707 707 LEU N N 707 119.208 119.208 120.357 -1.149 19229 6503 1 18 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.880 -0.130 19229 6504 1 18 . 1 1 707 707 LEU C C 707 178.903 178.903 178.910 -0.007 19229 6505 1 18 . 1 1 707 707 LEU CA C 707 57.202 57.202 57.864 -0.662 19229 6506 1 18 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.485 0.498 19229 6507 1 18 . 1 1 707 707 LEU H H 707 8.162 8.162 7.392 0.770 19229 6508 1 18 . 1 1 708 708 VAL N N 708 116.959 116.959 118.063 -1.104 19229 6509 1 18 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.657 0.092 19229 6510 1 18 . 1 1 708 708 VAL C C 708 176.876 176.876 177.875 -0.999 19229 6511 1 18 . 1 1 708 708 VAL CA C 708 64.077 64.077 65.411 -1.334 19229 6512 1 18 . 1 1 708 708 VAL CB C 708 31.984 31.984 30.863 1.121 19229 6513 1 18 . 1 1 708 708 VAL H H 708 7.161 7.161 8.139 -0.978 19229 6514 1 18 . 1 1 709 709 ALA N N 709 122.758 122.758 122.377 0.381 19229 6515 1 18 . 1 1 709 709 ALA HA H 709 4.113 4.113 3.926 0.187 19229 6516 1 18 . 1 1 709 709 ALA C C 709 177.859 177.859 178.827 -0.968 19229 6517 1 18 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.505 -1.812 19229 6518 1 18 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.835 -0.099 19229 6519 1 18 . 1 1 709 709 ALA H H 709 7.408 7.408 7.548 -0.140 19229 6520 1 18 . 1 1 710 710 MET N N 710 117.242 117.242 116.252 0.990 19229 6521 1 18 . 1 1 710 710 MET HA H 710 4.197 4.197 4.270 -0.073 19229 6522 1 18 . 1 1 710 710 MET C C 710 175.832 175.832 177.141 -1.309 19229 6523 1 18 . 1 1 710 710 MET CA C 710 55.557 55.557 57.203 -1.646 19229 6524 1 18 . 1 1 710 710 MET CB C 710 33.440 33.440 32.939 0.501 19229 6525 1 18 . 1 1 710 710 MET H H 710 7.586 7.586 7.528 0.058 19229 6526 1 18 . 1 1 711 711 GLU N N 711 122.546 122.546 119.814 2.732 19229 6527 1 18 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.455 -0.068 19229 6528 1 18 . 1 1 711 711 GLU CA C 711 54.384 54.384 54.722 -0.338 19229 6529 1 18 . 1 1 711 711 GLU CB C 711 29.444 29.444 29.296 0.148 19229 6530 1 18 . 1 1 711 711 GLU H H 711 7.828 7.828 7.506 0.322 19229 6531 1 18 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.504 -0.172 19229 6532 1 18 . 1 1 712 712 PRO C C 712 176.876 176.876 176.227 0.649 19229 6533 1 18 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.894 0.100 19229 6534 1 18 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.263 -0.341 19229 6535 1 18 . 1 1 713 713 VAL N N 713 120.328 120.328 117.152 3.176 19229 6536 1 18 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.366 -0.373 19229 6537 1 18 . 1 1 713 713 VAL C C 713 176.257 176.257 176.022 0.235 19229 6538 1 18 . 1 1 713 713 VAL CA C 713 62.133 62.133 61.188 0.945 19229 6539 1 18 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.618 -0.003 19229 6540 1 18 . 1 1 713 713 VAL H H 713 8.157 8.157 7.923 0.234 19229 6541 1 18 . 1 1 714 714 SER N N 714 119.503 119.503 117.767 1.736 19229 6542 1 18 . 1 1 714 714 SER HA H 714 4.440 4.440 4.539 -0.099 19229 6543 1 18 . 1 1 714 714 SER C C 714 174.619 174.619 174.655 -0.036 19229 6544 1 18 . 1 1 714 714 SER CA C 714 57.976 57.976 57.613 0.363 19229 6545 1 18 . 1 1 714 714 SER CB C 714 63.816 63.816 63.766 0.050 19229 6546 1 18 . 1 1 714 714 SER H H 714 8.368 8.368 8.369 -0.001 19229 6547 1 18 . 1 1 715 715 THR N N 715 116.281 116.281 123.235 -6.954 19229 6548 1 18 . 1 1 715 715 THR HA H 715 4.261 4.261 4.324 -0.063 19229 6549 1 18 . 1 1 715 715 THR C C 715 173.559 173.559 174.557 -0.998 19229 6550 1 18 . 1 1 715 715 THR CA C 715 61.499 61.499 62.779 -1.280 19229 6551 1 18 . 1 1 715 715 THR CB C 715 69.476 69.476 69.169 0.307 19229 6552 1 18 . 1 1 715 715 THR H H 715 8.141 8.141 8.430 -0.289 19229 6553 1 19 . 1 1 653 653 ASN N N 653 120.067 120.067 124.693 -4.626 19229 6554 1 19 . 1 1 653 653 ASN HA H 653 4.588 4.588 5.069 -0.481 19229 6555 1 19 . 1 1 653 653 ASN C C 653 175.383 175.383 174.131 1.252 19229 6556 1 19 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.171 0.023 19229 6557 1 19 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.808 0.005 19229 6558 1 19 . 1 1 653 653 ASN H H 653 8.357 8.357 8.772 -0.415 19229 6559 1 19 . 1 1 654 654 THR N N 654 113.812 113.812 115.065 -1.253 19229 6560 1 19 . 1 1 654 654 THR HA H 654 4.260 4.260 4.542 -0.282 19229 6561 1 19 . 1 1 654 654 THR C C 654 174.825 174.825 173.080 1.745 19229 6562 1 19 . 1 1 654 654 THR CA C 654 61.806 61.806 62.019 -0.213 19229 6563 1 19 . 1 1 654 654 THR CB C 654 69.645 69.645 69.420 0.225 19229 6564 1 19 . 1 1 654 654 THR H H 654 8.040 8.040 8.314 -0.274 19229 6565 1 19 . 1 1 655 655 SER N N 655 117.231 117.231 119.433 -2.202 19229 6566 1 19 . 1 1 655 655 SER HA H 655 4.367 4.367 4.541 -0.174 19229 6567 1 19 . 1 1 655 655 SER C C 655 174.218 174.218 171.991 2.227 19229 6568 1 19 . 1 1 655 655 SER CA C 655 58.681 58.681 57.921 0.760 19229 6569 1 19 . 1 1 655 655 SER CB C 655 63.586 63.586 63.888 -0.302 19229 6570 1 19 . 1 1 655 655 SER H H 655 8.277 8.277 8.706 -0.429 19229 6571 1 19 . 1 1 656 656 ASP N N 656 121.799 121.799 124.394 -2.595 19229 6572 1 19 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.639 -0.108 19229 6573 1 19 . 1 1 656 656 ASP C C 656 175.250 175.250 173.447 1.803 19229 6574 1 19 . 1 1 656 656 ASP CA C 656 54.385 54.385 54.235 0.150 19229 6575 1 19 . 1 1 656 656 ASP CB C 656 41.069 41.069 42.233 -1.165 19229 6576 1 19 . 1 1 656 656 ASP H H 656 8.197 8.197 7.931 0.266 19229 6577 1 19 . 1 1 657 657 TYR N N 657 122.165 122.165 119.212 2.953 19229 6578 1 19 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.724 -0.278 19229 6579 1 19 . 1 1 657 657 TYR C C 657 174.607 174.607 175.833 -1.226 19229 6580 1 19 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.157 1.531 19229 6581 1 19 . 1 1 657 657 TYR CB C 657 39.025 39.025 40.116 -1.091 19229 6582 1 19 . 1 1 657 657 TYR H H 657 8.023 8.023 8.467 -0.444 19229 6583 1 19 . 1 1 658 658 ARG N N 658 128.309 128.309 125.547 2.762 19229 6584 1 19 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.306 0.071 19229 6585 1 19 . 1 1 658 658 ARG C C 658 172.871 172.871 175.395 -2.524 19229 6586 1 19 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.382 0.058 19229 6587 1 19 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.792 3.470 19229 6588 1 19 . 1 1 658 658 ARG H H 658 8.637 8.637 8.875 -0.238 19229 6589 1 19 . 1 1 659 659 PHE N N 659 125.304 125.304 121.992 3.312 19229 6590 1 19 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.480 0.445 19229 6591 1 19 . 1 1 659 659 PHE C C 659 174.558 174.558 174.384 0.174 19229 6592 1 19 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.758 -0.287 19229 6593 1 19 . 1 1 659 659 PHE CB C 659 41.719 41.719 37.740 3.979 19229 6594 1 19 . 1 1 659 659 PHE H H 659 8.551 8.551 7.410 1.141 19229 6595 1 19 . 1 1 660 660 GLU N N 660 128.804 128.804 123.040 5.764 19229 6596 1 19 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.636 -0.682 19229 6597 1 19 . 1 1 660 660 GLU C C 660 172.361 172.361 175.157 -2.796 19229 6598 1 19 . 1 1 660 660 GLU CA C 660 56.471 56.471 55.038 1.433 19229 6599 1 19 . 1 1 660 660 GLU CB C 660 31.644 31.644 33.030 -1.386 19229 6600 1 19 . 1 1 660 660 GLU H H 660 7.833 7.833 7.861 -0.028 19229 6601 1 19 . 1 1 661 661 CYS N N 661 127.001 127.001 122.005 4.996 19229 6602 1 19 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.507 -0.149 19229 6603 1 19 . 1 1 661 661 CYS C C 661 176.221 176.221 177.738 -1.517 19229 6604 1 19 . 1 1 661 661 CYS CA C 661 59.045 59.045 59.486 -0.441 19229 6605 1 19 . 1 1 661 661 CYS CB C 661 30.839 30.839 27.418 3.421 19229 6606 1 19 . 1 1 661 661 CYS H H 661 8.356 8.356 8.674 -0.318 19229 6607 1 19 . 1 1 662 662 ILE N N 662 127.765 127.765 124.081 3.684 19229 6608 1 19 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.839 0.289 19229 6609 1 19 . 1 1 662 662 ILE C C 662 176.439 176.439 176.621 -0.182 19229 6610 1 19 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.622 -0.316 19229 6611 1 19 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.157 1.305 19229 6612 1 19 . 1 1 662 662 ILE H H 662 8.075 8.075 8.702 -0.627 19229 6613 1 19 . 1 1 663 663 CYS N N 663 120.000 120.000 117.178 2.822 19229 6614 1 19 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.736 -0.198 19229 6615 1 19 . 1 1 663 663 CYS C C 663 177.046 177.046 175.992 1.054 19229 6616 1 19 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.690 0.202 19229 6617 1 19 . 1 1 663 663 CYS CB C 663 30.994 30.994 27.841 3.152 19229 6618 1 19 . 1 1 663 663 CYS H H 663 7.661 7.661 8.218 -0.557 19229 6619 1 19 . 1 1 664 664 GLY N N 664 110.372 110.372 112.779 -2.407 19229 6620 1 19 . 1 1 664 664 GLY C C 664 173.818 173.818 173.486 0.332 19229 6621 1 19 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.157 0.702 19229 6622 1 19 . 1 1 664 664 GLY H H 664 7.855 7.855 7.971 -0.116 19229 6623 1 19 . 1 1 665 665 GLU N N 665 122.002 122.002 121.634 0.368 19229 6624 1 19 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.583 -0.230 19229 6625 1 19 . 1 1 665 665 GLU C C 665 175.990 175.990 175.438 0.552 19229 6626 1 19 . 1 1 665 665 GLU CA C 665 56.286 56.286 54.567 1.719 19229 6627 1 19 . 1 1 665 665 GLU CB C 665 31.276 31.276 33.571 -2.295 19229 6628 1 19 . 1 1 665 665 GLU H H 665 8.276 8.276 8.173 0.103 19229 6629 1 19 . 1 1 666 666 LEU N N 666 122.355 122.355 121.956 0.399 19229 6630 1 19 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.429 -0.080 19229 6631 1 19 . 1 1 666 666 LEU C C 666 176.816 176.816 176.811 0.005 19229 6632 1 19 . 1 1 666 666 LEU CA C 666 54.595 54.595 55.328 -0.733 19229 6633 1 19 . 1 1 666 666 LEU CB C 666 42.549 42.549 42.711 -0.162 19229 6634 1 19 . 1 1 666 666 LEU H H 666 8.341 8.341 8.398 -0.057 19229 6635 1 19 . 1 1 667 667 ASP N N 667 121.075 121.075 125.395 -4.320 19229 6636 1 19 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.977 -0.931 19229 6637 1 19 . 1 1 667 667 ASP C C 667 175.432 175.432 174.892 0.540 19229 6638 1 19 . 1 1 667 667 ASP CA C 667 54.172 54.172 52.925 1.247 19229 6639 1 19 . 1 1 667 667 ASP CB C 667 41.069 41.069 40.346 0.723 19229 6640 1 19 . 1 1 667 667 ASP H H 667 8.325 8.325 8.769 -0.444 19229 6641 1 19 . 1 1 668 668 GLN N N 668 121.978 121.978 117.559 4.419 19229 6642 1 19 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.562 -0.365 19229 6643 1 19 . 1 1 668 668 GLN C C 668 175.420 175.420 175.237 0.183 19229 6644 1 19 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.505 0.720 19229 6645 1 19 . 1 1 668 668 GLN CB C 668 30.149 30.149 31.572 -1.423 19229 6646 1 19 . 1 1 668 668 GLN H H 668 8.083 8.083 7.575 0.508 19229 6647 1 19 . 1 1 669 669 ILE N N 669 120.079 120.079 122.395 -2.316 19229 6648 1 19 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.006 -0.128 19229 6649 1 19 . 1 1 669 669 ILE C C 669 175.347 175.347 176.694 -1.347 19229 6650 1 19 . 1 1 669 669 ILE CA C 669 61.499 61.499 63.292 -1.793 19229 6651 1 19 . 1 1 669 669 ILE CB C 669 37.123 37.123 37.791 -0.668 19229 6652 1 19 . 1 1 669 669 ILE H H 669 8.155 8.155 8.511 -0.356 19229 6653 1 19 . 1 1 670 670 ASP N N 670 123.410 123.410 118.619 4.791 19229 6654 1 19 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.390 0.036 19229 6655 1 19 . 1 1 670 670 ASP C C 670 176.124 176.124 177.107 -0.983 19229 6656 1 19 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.302 -2.693 19229 6657 1 19 . 1 1 670 670 ASP CB C 670 41.139 41.139 41.014 0.125 19229 6658 1 19 . 1 1 670 670 ASP H H 670 7.992 7.992 8.080 -0.088 19229 6659 1 19 . 1 1 671 671 ARG N N 671 118.285 118.285 118.413 -0.128 19229 6660 1 19 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.406 -0.237 19229 6661 1 19 . 1 1 671 671 ARG C C 671 176.476 176.476 176.319 0.157 19229 6662 1 19 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.954 -0.916 19229 6663 1 19 . 1 1 671 671 ARG CB C 671 29.552 29.552 31.884 -2.332 19229 6664 1 19 . 1 1 671 671 ARG H H 671 8.274 8.274 7.636 0.638 19229 6665 1 19 . 1 1 672 672 LYS N N 672 122.196 122.196 119.000 3.196 19229 6666 1 19 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.779 -0.293 19229 6667 1 19 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.437 2.510 19229 6668 1 19 . 1 1 672 672 LYS CB C 672 32.262 32.262 32.962 -0.700 19229 6669 1 19 . 1 1 672 672 LYS H H 672 8.060 8.060 8.009 0.051 19229 6670 1 19 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.340 0.058 19229 6671 1 19 . 1 1 673 673 PRO C C 673 177.204 177.204 175.846 1.358 19229 6672 1 19 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.338 0.626 19229 6673 1 19 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.014 0.524 19229 6674 1 19 . 1 1 674 674 ARG N N 674 123.076 123.076 121.171 1.905 19229 6675 1 19 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.903 0.585 19229 6676 1 19 . 1 1 674 674 ARG C C 674 174.473 174.473 175.048 -0.575 19229 6677 1 19 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.254 0.730 19229 6678 1 19 . 1 1 674 674 ARG CB C 674 35.552 35.552 33.107 2.445 19229 6679 1 19 . 1 1 674 674 ARG H H 674 8.982 8.982 8.153 0.829 19229 6680 1 19 . 1 1 675 675 VAL N N 675 116.941 116.941 120.063 -3.122 19229 6681 1 19 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.085 0.365 19229 6682 1 19 . 1 1 675 675 VAL C C 675 171.342 171.342 175.474 -4.132 19229 6683 1 19 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.876 -1.350 19229 6684 1 19 . 1 1 675 675 VAL CB C 675 35.310 35.310 32.300 3.010 19229 6685 1 19 . 1 1 675 675 VAL H H 675 9.109 9.109 8.374 0.735 19229 6686 1 19 . 1 1 676 676 GLN N N 676 126.293 126.293 127.423 -1.130 19229 6687 1 19 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.692 -0.639 19229 6688 1 19 . 1 1 676 676 GLN C C 676 174.910 174.910 175.796 -0.886 19229 6689 1 19 . 1 1 676 676 GLN CA C 676 53.209 53.209 55.514 -2.305 19229 6690 1 19 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.345 1.755 19229 6691 1 19 . 1 1 676 676 GLN H H 676 7.755 7.755 8.734 -0.979 19229 6692 1 19 . 1 1 677 677 CYS N N 677 128.217 128.217 126.558 1.659 19229 6693 1 19 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.713 -0.640 19229 6694 1 19 . 1 1 677 677 CYS C C 677 177.471 177.471 176.646 0.825 19229 6695 1 19 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.267 1.183 19229 6696 1 19 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.499 5.228 19229 6697 1 19 . 1 1 677 677 CYS H H 677 8.366 8.366 8.748 -0.382 19229 6698 1 19 . 1 1 678 678 LEU N N 678 131.279 131.279 127.222 4.057 19229 6699 1 19 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.133 -0.295 19229 6700 1 19 . 1 1 678 678 LEU C C 678 176.718 176.718 177.748 -1.030 19229 6701 1 19 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.610 -0.761 19229 6702 1 19 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.232 0.822 19229 6703 1 19 . 1 1 678 678 LEU H H 678 8.304 8.304 8.080 0.224 19229 6704 1 19 . 1 1 679 679 LYS N N 679 120.707 120.707 118.818 1.889 19229 6705 1 19 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.215 0.120 19229 6706 1 19 . 1 1 679 679 LYS C C 679 176.160 176.160 176.898 -0.738 19229 6707 1 19 . 1 1 679 679 LYS CA C 679 57.986 57.986 57.966 0.020 19229 6708 1 19 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.848 0.189 19229 6709 1 19 . 1 1 679 679 LYS H H 679 8.752 8.752 8.537 0.215 19229 6710 1 19 . 1 1 680 680 CYS N N 680 118.211 118.211 114.110 4.101 19229 6711 1 19 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.894 -0.428 19229 6712 1 19 . 1 1 680 680 CYS C C 680 176.306 176.306 174.765 1.541 19229 6713 1 19 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.752 1.422 19229 6714 1 19 . 1 1 680 680 CYS CB C 680 31.346 31.346 28.283 3.063 19229 6715 1 19 . 1 1 680 680 CYS H H 680 8.230 8.230 7.776 0.454 19229 6716 1 19 . 1 1 681 681 HIS N N 681 113.392 113.392 117.406 -4.014 19229 6717 1 19 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.898 0.306 19229 6718 1 19 . 1 1 681 681 HIS C C 681 173.478 173.478 173.080 0.398 19229 6719 1 19 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.786 0.204 19229 6720 1 19 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.319 -0.763 19229 6721 1 19 . 1 1 681 681 HIS H H 681 7.149 7.149 8.131 -0.982 19229 6722 1 19 . 1 1 682 682 LEU N N 682 124.066 124.066 121.260 2.806 19229 6723 1 19 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.297 -0.002 19229 6724 1 19 . 1 1 682 682 LEU C C 682 176.670 176.670 175.068 1.602 19229 6725 1 19 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.013 3.214 19229 6726 1 19 . 1 1 682 682 LEU CB C 682 44.035 44.035 42.634 1.401 19229 6727 1 19 . 1 1 682 682 LEU H H 682 8.172 8.172 7.302 0.870 19229 6728 1 19 . 1 1 683 683 TRP N N 683 124.208 124.208 126.442 -2.234 19229 6729 1 19 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.652 0.439 19229 6730 1 19 . 1 1 683 683 TRP C C 683 174.133 174.133 175.090 -0.957 19229 6731 1 19 . 1 1 683 683 TRP CA C 683 56.723 56.723 56.116 0.607 19229 6732 1 19 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.008 1.806 19229 6733 1 19 . 1 1 683 683 TRP H H 683 8.666 8.666 8.469 0.197 19229 6734 1 19 . 1 1 684 684 GLN N N 684 114.943 114.943 120.294 -5.351 19229 6735 1 19 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.592 -0.627 19229 6736 1 19 . 1 1 684 684 GLN C C 684 176.002 176.002 174.355 1.647 19229 6737 1 19 . 1 1 684 684 GLN CA C 684 54.595 54.595 53.966 0.629 19229 6738 1 19 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.611 -0.856 19229 6739 1 19 . 1 1 684 684 GLN H H 684 8.655 8.655 8.466 0.189 19229 6740 1 19 . 1 1 685 685 HIS N N 685 121.485 121.485 117.780 3.705 19229 6741 1 19 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.940 0.071 19229 6742 1 19 . 1 1 685 685 HIS C C 685 175.990 175.990 175.158 0.832 19229 6743 1 19 . 1 1 685 685 HIS CA C 685 58.024 58.024 55.192 2.832 19229 6744 1 19 . 1 1 685 685 HIS CB C 685 31.454 31.454 32.527 -1.073 19229 6745 1 19 . 1 1 685 685 HIS H H 685 9.487 9.487 8.375 1.112 19229 6746 1 19 . 1 1 686 686 ALA N N 686 125.728 125.728 127.559 -1.831 19229 6747 1 19 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.147 -0.445 19229 6748 1 19 . 1 1 686 686 ALA C C 686 179.000 179.000 179.512 -0.512 19229 6749 1 19 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.844 -0.686 19229 6750 1 19 . 1 1 686 686 ALA CB C 686 17.858 17.858 18.880 -1.022 19229 6751 1 19 . 1 1 686 686 ALA H H 686 8.436 8.436 8.692 -0.256 19229 6752 1 19 . 1 1 687 687 LYS N N 687 116.216 116.216 118.695 -2.479 19229 6753 1 19 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.307 -0.183 19229 6754 1 19 . 1 1 687 687 LYS C C 687 180.129 180.129 179.072 1.057 19229 6755 1 19 . 1 1 687 687 LYS CA C 687 58.681 58.681 58.645 0.036 19229 6756 1 19 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.986 0.276 19229 6757 1 19 . 1 1 687 687 LYS H H 687 9.407 9.407 8.582 0.825 19229 6758 1 19 . 1 1 688 688 CYS N N 688 117.136 117.136 116.121 1.015 19229 6759 1 19 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.428 -0.499 19229 6760 1 19 . 1 1 688 688 CYS C C 688 176.439 176.439 176.363 0.076 19229 6761 1 19 . 1 1 688 688 CYS CA C 688 62.584 62.584 61.584 1.000 19229 6762 1 19 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.390 3.759 19229 6763 1 19 . 1 1 688 688 CYS H H 688 6.702 6.702 8.267 -1.565 19229 6764 1 19 . 1 1 689 689 VAL N N 689 106.705 106.705 114.513 -7.808 19229 6765 1 19 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.392 0.022 19229 6766 1 19 . 1 1 689 689 VAL C C 689 175.007 175.007 175.053 -0.046 19229 6767 1 19 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.474 -1.314 19229 6768 1 19 . 1 1 689 689 VAL CB C 689 30.924 30.924 31.774 -0.850 19229 6769 1 19 . 1 1 689 689 VAL H H 689 6.932 6.932 7.394 -0.462 19229 6770 1 19 . 1 1 690 690 ASN N N 690 117.807 117.807 118.320 -0.513 19229 6771 1 19 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.382 -0.116 19229 6772 1 19 . 1 1 690 690 ASN C C 690 173.405 173.405 173.591 -0.186 19229 6773 1 19 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.359 -0.212 19229 6774 1 19 . 1 1 690 690 ASN CB C 690 37.094 37.094 38.077 -0.983 19229 6775 1 19 . 1 1 690 690 ASN H H 690 7.770 7.770 7.659 0.111 19229 6776 1 19 . 1 1 691 691 TYR N N 691 120.010 120.010 121.623 -1.613 19229 6777 1 19 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.671 -0.231 19229 6778 1 19 . 1 1 691 691 TYR C C 691 174.073 174.073 173.224 0.849 19229 6779 1 19 . 1 1 691 691 TYR CA C 691 57.695 57.695 58.100 -0.405 19229 6780 1 19 . 1 1 691 691 TYR CB C 691 40.575 40.575 41.761 -1.186 19229 6781 1 19 . 1 1 691 691 TYR H H 691 8.271 8.271 7.797 0.474 19229 6782 1 19 . 1 1 692 692 ASP N N 692 126.612 126.612 119.023 7.589 19229 6783 1 19 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.781 -0.416 19229 6784 1 19 . 1 1 692 692 ASP C C 692 175.663 175.663 174.909 0.754 19229 6785 1 19 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.644 0.190 19229 6786 1 19 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.386 -2.011 19229 6787 1 19 . 1 1 692 692 ASP H H 692 7.799 7.799 7.537 0.262 19229 6788 1 19 . 1 1 693 693 GLU N N 693 125.198 125.198 116.727 8.471 19229 6789 1 19 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.039 -0.115 19229 6790 1 19 . 1 1 693 693 GLU C C 693 177.119 177.119 178.115 -0.996 19229 6791 1 19 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.798 -0.610 19229 6792 1 19 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.172 -0.075 19229 6793 1 19 . 1 1 693 693 GLU H H 693 8.792 8.792 8.661 0.132 19229 6794 1 19 . 1 1 694 694 LYS N N 694 120.048 120.048 118.834 1.214 19229 6795 1 19 . 1 1 694 694 LYS HA H 694 4.070 4.070 3.955 0.115 19229 6796 1 19 . 1 1 694 694 LYS C C 694 177.168 177.168 178.210 -1.042 19229 6797 1 19 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.849 -1.295 19229 6798 1 19 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.169 -0.682 19229 6799 1 19 . 1 1 694 694 LYS H H 694 8.294 8.294 7.857 0.437 19229 6800 1 19 . 1 1 695 695 ASN N N 695 117.271 117.271 114.615 2.656 19229 6801 1 19 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.663 -0.053 19229 6802 1 19 . 1 1 695 695 ASN C C 695 175.517 175.517 176.612 -1.095 19229 6803 1 19 . 1 1 695 695 ASN CA C 695 52.975 52.975 53.456 -0.481 19229 6804 1 19 . 1 1 695 695 ASN CB C 695 38.673 38.673 39.030 -0.357 19229 6805 1 19 . 1 1 695 695 ASN H H 695 7.809 7.809 8.200 -0.391 19229 6806 1 19 . 1 1 696 696 LEU N N 696 122.015 122.015 121.392 0.623 19229 6807 1 19 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.488 -0.280 19229 6808 1 19 . 1 1 696 696 LEU C C 696 177.823 177.823 177.532 0.291 19229 6809 1 19 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.284 -0.082 19229 6810 1 19 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.290 -0.165 19229 6811 1 19 . 1 1 696 696 LEU H H 696 7.764 7.764 7.105 0.659 19229 6812 1 19 . 1 1 697 697 LYS N N 697 116.437 116.437 117.322 -0.885 19229 6813 1 19 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.211 -0.074 19229 6814 1 19 . 1 1 697 697 LYS C C 697 176.536 176.536 176.863 -0.327 19229 6815 1 19 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.199 -1.242 19229 6816 1 19 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.147 -0.096 19229 6817 1 19 . 1 1 697 697 LYS H H 697 8.277 8.277 7.624 0.653 19229 6818 1 19 . 1 1 698 698 ILE N N 698 117.807 117.807 116.727 1.080 19229 6819 1 19 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.177 -0.110 19229 6820 1 19 . 1 1 698 698 ILE C C 698 175.700 175.700 176.365 -0.665 19229 6821 1 19 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.893 -0.066 19229 6822 1 19 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.504 -0.338 19229 6823 1 19 . 1 1 698 698 ILE H H 698 7.650 7.650 7.166 0.484 19229 6824 1 19 . 1 1 699 699 LYS N N 699 123.286 123.286 120.691 2.595 19229 6825 1 19 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.785 -0.030 19229 6826 1 19 . 1 1 699 699 LYS CA C 699 53.397 53.397 53.476 -0.079 19229 6827 1 19 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.883 0.718 19229 6828 1 19 . 1 1 699 699 LYS H H 699 8.121 8.121 7.981 0.140 19229 6829 1 19 . 1 1 700 700 PRO HA H 700 4.250 4.250 4.073 0.177 19229 6830 1 19 . 1 1 700 700 PRO C C 700 175.213 175.213 175.354 -0.141 19229 6831 1 19 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.031 -0.231 19229 6832 1 19 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.761 0.961 19229 6833 1 19 . 1 1 701 701 PHE N N 701 122.959 122.959 120.901 2.058 19229 6834 1 19 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.515 -0.268 19229 6835 1 19 . 1 1 701 701 PHE C C 701 171.657 171.657 173.371 -1.714 19229 6836 1 19 . 1 1 701 701 PHE CA C 701 58.140 58.140 55.771 2.369 19229 6837 1 19 . 1 1 701 701 PHE CB C 701 39.448 39.448 40.167 -0.719 19229 6838 1 19 . 1 1 701 701 PHE H H 701 8.042 8.042 6.906 1.136 19229 6839 1 19 . 1 1 702 702 TYR N N 702 123.854 123.854 121.831 2.023 19229 6840 1 19 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.762 0.268 19229 6841 1 19 . 1 1 702 702 TYR C C 702 173.915 173.915 175.600 -1.685 19229 6842 1 19 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.935 -2.129 19229 6843 1 19 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.398 -1.329 19229 6844 1 19 . 1 1 702 702 TYR H H 702 6.754 6.754 7.890 -1.136 19229 6845 1 19 . 1 1 703 703 CYS N N 703 124.963 124.963 119.943 5.020 19229 6846 1 19 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.823 -0.570 19229 6847 1 19 . 1 1 703 703 CYS CA C 703 57.300 57.300 55.883 1.417 19229 6848 1 19 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.546 1.405 19229 6849 1 19 . 1 1 703 703 CYS H H 703 9.298 9.298 8.572 0.726 19229 6850 1 19 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.158 -0.111 19229 6851 1 19 . 1 1 704 704 PRO C C 704 178.818 178.818 178.155 0.663 19229 6852 1 19 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.256 0.395 19229 6853 1 19 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.661 0.330 19229 6854 1 19 . 1 1 705 705 HIS N N 705 115.532 115.532 116.069 -0.537 19229 6855 1 19 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.364 -0.082 19229 6856 1 19 . 1 1 705 705 HIS C C 705 177.689 177.689 177.486 0.203 19229 6857 1 19 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.928 -1.282 19229 6858 1 19 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.557 0.169 19229 6859 1 19 . 1 1 705 705 HIS H H 705 7.843 7.843 8.714 -0.871 19229 6860 1 19 . 1 1 706 706 CYS N N 706 124.314 124.314 117.891 6.423 19229 6861 1 19 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.295 -0.524 19229 6862 1 19 . 1 1 706 706 CYS C C 706 177.204 177.204 176.927 0.277 19229 6863 1 19 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.023 1.224 19229 6864 1 19 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.375 3.068 19229 6865 1 19 . 1 1 706 706 CYS H H 706 8.442 8.442 7.946 0.496 19229 6866 1 19 . 1 1 707 707 LEU N N 707 119.208 119.208 120.115 -0.907 19229 6867 1 19 . 1 1 707 707 LEU HA H 707 3.750 3.750 4.029 -0.279 19229 6868 1 19 . 1 1 707 707 LEU C C 707 178.903 178.903 178.798 0.105 19229 6869 1 19 . 1 1 707 707 LEU CA C 707 57.202 57.202 57.597 -0.395 19229 6870 1 19 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.545 0.438 19229 6871 1 19 . 1 1 707 707 LEU H H 707 8.162 8.162 7.360 0.802 19229 6872 1 19 . 1 1 708 708 VAL N N 708 116.959 116.959 119.169 -2.210 19229 6873 1 19 . 1 1 708 708 VAL HA H 708 3.749 3.749 4.078 -0.329 19229 6874 1 19 . 1 1 708 708 VAL C C 708 176.876 176.876 177.963 -1.087 19229 6875 1 19 . 1 1 708 708 VAL CA C 708 64.077 64.077 64.716 -0.639 19229 6876 1 19 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.130 0.855 19229 6877 1 19 . 1 1 708 708 VAL H H 708 7.161 7.161 7.749 -0.588 19229 6878 1 19 . 1 1 709 709 ALA N N 709 122.758 122.758 122.730 0.028 19229 6879 1 19 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.105 0.008 19229 6880 1 19 . 1 1 709 709 ALA C C 709 177.859 177.859 178.730 -0.871 19229 6881 1 19 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.726 -2.033 19229 6882 1 19 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.965 -0.229 19229 6883 1 19 . 1 1 709 709 ALA H H 709 7.408 7.408 7.820 -0.412 19229 6884 1 19 . 1 1 710 710 MET N N 710 117.242 117.242 115.823 1.419 19229 6885 1 19 . 1 1 710 710 MET HA H 710 4.197 4.197 4.412 -0.215 19229 6886 1 19 . 1 1 710 710 MET C C 710 175.832 175.832 176.076 -0.244 19229 6887 1 19 . 1 1 710 710 MET CA C 710 55.557 55.557 56.407 -0.850 19229 6888 1 19 . 1 1 710 710 MET CB C 710 33.440 33.440 33.868 -0.428 19229 6889 1 19 . 1 1 710 710 MET H H 710 7.586 7.586 7.529 0.057 19229 6890 1 19 . 1 1 711 711 GLU N N 711 122.546 122.546 116.202 6.344 19229 6891 1 19 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.132 0.255 19229 6892 1 19 . 1 1 711 711 GLU CA C 711 54.384 54.384 56.679 -2.295 19229 6893 1 19 . 1 1 711 711 GLU CB C 711 29.444 29.444 28.627 0.817 19229 6894 1 19 . 1 1 711 711 GLU H H 711 7.828 7.828 7.720 0.108 19229 6895 1 19 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.419 -0.087 19229 6896 1 19 . 1 1 712 712 PRO C C 712 176.876 176.876 176.578 0.298 19229 6897 1 19 . 1 1 712 712 PRO CA C 712 62.994 62.994 63.124 -0.130 19229 6898 1 19 . 1 1 712 712 PRO CB C 712 31.922 31.922 31.457 0.465 19229 6899 1 19 . 1 1 713 713 VAL N N 713 120.328 120.328 120.754 -0.426 19229 6900 1 19 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.136 -0.143 19229 6901 1 19 . 1 1 713 713 VAL C C 713 176.257 176.257 175.715 0.542 19229 6902 1 19 . 1 1 713 713 VAL CA C 713 62.133 62.133 63.301 -1.169 19229 6903 1 19 . 1 1 713 713 VAL CB C 713 32.615 32.615 31.445 1.170 19229 6904 1 19 . 1 1 713 713 VAL H H 713 8.157 8.157 8.332 -0.175 19229 6905 1 19 . 1 1 714 714 SER N N 714 119.503 119.503 122.708 -3.205 19229 6906 1 19 . 1 1 714 714 SER HA H 714 4.440 4.440 4.792 -0.352 19229 6907 1 19 . 1 1 714 714 SER C C 714 174.619 174.619 173.348 1.271 19229 6908 1 19 . 1 1 714 714 SER CA C 714 57.976 57.976 57.660 0.316 19229 6909 1 19 . 1 1 714 714 SER CB C 714 63.816 63.816 64.797 -0.981 19229 6910 1 19 . 1 1 714 714 SER H H 714 8.368 8.368 8.795 -0.427 19229 6911 1 19 . 1 1 715 715 THR N N 715 116.281 116.281 116.854 -0.573 19229 6912 1 19 . 1 1 715 715 THR HA H 715 4.261 4.261 4.756 -0.495 19229 6913 1 19 . 1 1 715 715 THR C C 715 173.559 173.559 174.285 -0.726 19229 6914 1 19 . 1 1 715 715 THR CA C 715 61.499 61.499 61.183 0.316 19229 6915 1 19 . 1 1 715 715 THR CB C 715 69.476 69.476 69.533 -0.057 19229 6916 1 19 . 1 1 715 715 THR H H 715 8.141 8.141 8.401 -0.260 19229 6917 1 20 . 1 1 653 653 ASN N N 653 120.067 120.067 122.263 -2.196 19229 6918 1 20 . 1 1 653 653 ASN HA H 653 4.588 4.588 5.009 -0.421 19229 6919 1 20 . 1 1 653 653 ASN C C 653 175.383 175.383 176.014 -0.631 19229 6920 1 20 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.066 0.128 19229 6921 1 20 . 1 1 653 653 ASN CB C 653 38.813 38.813 40.011 -1.198 19229 6922 1 20 . 1 1 653 653 ASN H H 653 8.357 8.357 9.313 -0.956 19229 6923 1 20 . 1 1 654 654 THR N N 654 113.812 113.812 110.866 2.946 19229 6924 1 20 . 1 1 654 654 THR HA H 654 4.260 4.260 3.973 0.287 19229 6925 1 20 . 1 1 654 654 THR C C 654 174.825 174.825 174.323 0.502 19229 6926 1 20 . 1 1 654 654 THR CA C 654 61.806 61.806 63.386 -1.580 19229 6927 1 20 . 1 1 654 654 THR CB C 654 69.645 69.645 67.888 1.758 19229 6928 1 20 . 1 1 654 654 THR H H 654 8.040 8.040 8.456 -0.416 19229 6929 1 20 . 1 1 655 655 SER N N 655 117.231 117.231 113.383 3.848 19229 6930 1 20 . 1 1 655 655 SER HA H 655 4.367 4.367 4.103 0.264 19229 6931 1 20 . 1 1 655 655 SER C C 655 174.218 174.218 173.426 0.792 19229 6932 1 20 . 1 1 655 655 SER CA C 655 58.681 58.681 57.820 0.861 19229 6933 1 20 . 1 1 655 655 SER CB C 655 63.586 63.586 63.504 0.082 19229 6934 1 20 . 1 1 655 655 SER H H 655 8.277 8.277 7.937 0.340 19229 6935 1 20 . 1 1 656 656 ASP N N 656 121.799 121.799 122.827 -1.028 19229 6936 1 20 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.662 -0.131 19229 6937 1 20 . 1 1 656 656 ASP C C 656 175.250 175.250 175.160 0.090 19229 6938 1 20 . 1 1 656 656 ASP CA C 656 54.385 54.385 53.339 1.046 19229 6939 1 20 . 1 1 656 656 ASP CB C 656 41.069 41.069 39.402 1.667 19229 6940 1 20 . 1 1 656 656 ASP H H 656 8.197 8.197 8.009 0.188 19229 6941 1 20 . 1 1 657 657 TYR N N 657 122.165 122.165 123.159 -0.994 19229 6942 1 20 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.327 0.119 19229 6943 1 20 . 1 1 657 657 TYR C C 657 174.607 174.607 176.066 -1.459 19229 6944 1 20 . 1 1 657 657 TYR CA C 657 58.688 58.688 58.493 0.195 19229 6945 1 20 . 1 1 657 657 TYR CB C 657 39.025 39.025 39.144 -0.119 19229 6946 1 20 . 1 1 657 657 TYR H H 657 8.023 8.023 7.553 0.470 19229 6947 1 20 . 1 1 658 658 ARG N N 658 128.309 128.309 122.449 5.860 19229 6948 1 20 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.092 0.285 19229 6949 1 20 . 1 1 658 658 ARG C C 658 172.871 172.871 175.742 -2.871 19229 6950 1 20 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.239 0.201 19229 6951 1 20 . 1 1 658 658 ARG CB C 658 32.262 32.262 30.294 1.968 19229 6952 1 20 . 1 1 658 658 ARG H H 658 8.637 8.637 8.567 0.070 19229 6953 1 20 . 1 1 659 659 PHE N N 659 125.304 125.304 118.830 6.474 19229 6954 1 20 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.662 0.263 19229 6955 1 20 . 1 1 659 659 PHE C C 659 174.558 174.558 174.210 0.348 19229 6956 1 20 . 1 1 659 659 PHE CA C 659 56.471 56.471 56.160 0.311 19229 6957 1 20 . 1 1 659 659 PHE CB C 659 41.719 41.719 38.452 3.267 19229 6958 1 20 . 1 1 659 659 PHE H H 659 8.551 8.551 7.910 0.641 19229 6959 1 20 . 1 1 660 660 GLU N N 660 128.804 128.804 121.214 7.590 19229 6960 1 20 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.739 -0.785 19229 6961 1 20 . 1 1 660 660 GLU C C 660 172.361 172.361 174.954 -2.593 19229 6962 1 20 . 1 1 660 660 GLU CA C 660 56.471 56.471 54.359 2.112 19229 6963 1 20 . 1 1 660 660 GLU CB C 660 31.644 31.644 33.788 -2.144 19229 6964 1 20 . 1 1 660 660 GLU H H 660 7.833 7.833 7.543 0.290 19229 6965 1 20 . 1 1 661 661 CYS N N 661 127.001 127.001 120.423 6.578 19229 6966 1 20 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.573 -0.215 19229 6967 1 20 . 1 1 661 661 CYS C C 661 176.221 176.221 176.839 -0.618 19229 6968 1 20 . 1 1 661 661 CYS CA C 661 59.045 59.045 59.053 -0.008 19229 6969 1 20 . 1 1 661 661 CYS CB C 661 30.839 30.839 28.785 2.054 19229 6970 1 20 . 1 1 661 661 CYS H H 661 8.356 8.356 8.544 -0.188 19229 6971 1 20 . 1 1 662 662 ILE N N 662 127.765 127.765 120.623 7.142 19229 6972 1 20 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.968 0.160 19229 6973 1 20 . 1 1 662 662 ILE C C 662 176.439 176.439 176.203 0.236 19229 6974 1 20 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.053 0.253 19229 6975 1 20 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.520 0.942 19229 6976 1 20 . 1 1 662 662 ILE H H 662 8.075 8.075 8.440 -0.365 19229 6977 1 20 . 1 1 663 663 CYS N N 663 120.000 120.000 116.219 3.781 19229 6978 1 20 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.737 -0.199 19229 6979 1 20 . 1 1 663 663 CYS C C 663 177.046 177.046 176.380 0.666 19229 6980 1 20 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.262 0.630 19229 6981 1 20 . 1 1 663 663 CYS CB C 663 30.994 30.994 27.640 3.354 19229 6982 1 20 . 1 1 663 663 CYS H H 663 7.661 7.661 8.004 -0.343 19229 6983 1 20 . 1 1 664 664 GLY N N 664 110.372 110.372 111.170 -0.798 19229 6984 1 20 . 1 1 664 664 GLY C C 664 173.818 173.818 174.869 -1.051 19229 6985 1 20 . 1 1 664 664 GLY CA C 664 45.859 45.859 46.657 -0.798 19229 6986 1 20 . 1 1 664 664 GLY H H 664 7.855 7.855 7.739 0.116 19229 6987 1 20 . 1 1 665 665 GLU N N 665 122.002 122.002 122.111 -0.109 19229 6988 1 20 . 1 1 665 665 GLU HA H 665 4.353 4.353 3.984 0.369 19229 6989 1 20 . 1 1 665 665 GLU C C 665 175.990 175.990 175.964 0.026 19229 6990 1 20 . 1 1 665 665 GLU CA C 665 56.286 56.286 58.629 -2.343 19229 6991 1 20 . 1 1 665 665 GLU CB C 665 31.276 31.276 29.358 1.917 19229 6992 1 20 . 1 1 665 665 GLU H H 665 8.276 8.276 7.994 0.282 19229 6993 1 20 . 1 1 666 666 LEU N N 666 122.355 122.355 117.340 5.015 19229 6994 1 20 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.558 -0.209 19229 6995 1 20 . 1 1 666 666 LEU C C 666 176.816 176.816 174.515 2.301 19229 6996 1 20 . 1 1 666 666 LEU CA C 666 54.595 54.595 53.659 0.936 19229 6997 1 20 . 1 1 666 666 LEU CB C 666 42.549 42.549 45.703 -3.154 19229 6998 1 20 . 1 1 666 666 LEU H H 666 8.341 8.341 7.736 0.605 19229 6999 1 20 . 1 1 667 667 ASP N N 667 121.075 121.075 120.037 1.038 19229 7000 1 20 . 1 1 667 667 ASP HA H 667 4.046 4.046 5.022 -0.976 19229 7001 1 20 . 1 1 667 667 ASP C C 667 175.432 175.432 174.854 0.578 19229 7002 1 20 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.676 0.496 19229 7003 1 20 . 1 1 667 667 ASP CB C 667 41.069 41.069 41.151 -0.082 19229 7004 1 20 . 1 1 667 667 ASP H H 667 8.325 8.325 8.407 -0.082 19229 7005 1 20 . 1 1 668 668 GLN N N 668 121.978 121.978 120.277 1.701 19229 7006 1 20 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.837 -0.640 19229 7007 1 20 . 1 1 668 668 GLN C C 668 175.420 175.420 174.883 0.537 19229 7008 1 20 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.106 1.119 19229 7009 1 20 . 1 1 668 668 GLN CB C 668 30.149 30.149 30.979 -0.830 19229 7010 1 20 . 1 1 668 668 GLN H H 668 8.083 8.083 8.087 -0.004 19229 7011 1 20 . 1 1 669 669 ILE N N 669 120.079 120.079 117.138 2.941 19229 7012 1 20 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.124 -0.246 19229 7013 1 20 . 1 1 669 669 ILE C C 669 175.347 175.347 175.625 -0.278 19229 7014 1 20 . 1 1 669 669 ILE CA C 669 61.499 61.499 61.448 0.051 19229 7015 1 20 . 1 1 669 669 ILE CB C 669 37.123 37.123 38.239 -1.117 19229 7016 1 20 . 1 1 669 669 ILE H H 669 8.155 8.155 8.483 -0.328 19229 7017 1 20 . 1 1 670 670 ASP N N 670 123.410 123.410 120.078 3.332 19229 7018 1 20 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.382 0.044 19229 7019 1 20 . 1 1 670 670 ASP C C 670 176.124 176.124 176.874 -0.750 19229 7020 1 20 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.730 -3.122 19229 7021 1 20 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.841 0.298 19229 7022 1 20 . 1 1 670 670 ASP H H 670 7.992 7.992 8.033 -0.041 19229 7023 1 20 . 1 1 671 671 ARG N N 671 118.285 118.285 117.037 1.248 19229 7024 1 20 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.432 -0.263 19229 7025 1 20 . 1 1 671 671 ARG C C 671 176.476 176.476 175.305 1.171 19229 7026 1 20 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.582 -0.544 19229 7027 1 20 . 1 1 671 671 ARG CB C 671 29.552 29.552 32.931 -3.380 19229 7028 1 20 . 1 1 671 671 ARG H H 671 8.274 8.274 8.305 -0.031 19229 7029 1 20 . 1 1 672 672 LYS N N 672 122.196 122.196 120.921 1.275 19229 7030 1 20 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.753 -0.267 19229 7031 1 20 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.422 2.525 19229 7032 1 20 . 1 1 672 672 LYS CB C 672 32.262 32.262 31.922 0.340 19229 7033 1 20 . 1 1 672 672 LYS H H 672 8.060 8.060 7.856 0.204 19229 7034 1 20 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.525 -0.127 19229 7035 1 20 . 1 1 673 673 PRO C C 673 177.204 177.204 176.379 0.825 19229 7036 1 20 . 1 1 673 673 PRO CA C 673 63.964 63.964 62.563 1.401 19229 7037 1 20 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.466 0.072 19229 7038 1 20 . 1 1 674 674 ARG N N 674 123.076 123.076 117.536 5.540 19229 7039 1 20 . 1 1 674 674 ARG HA H 674 5.488 5.488 5.072 0.416 19229 7040 1 20 . 1 1 674 674 ARG C C 674 174.473 174.473 174.865 -0.392 19229 7041 1 20 . 1 1 674 674 ARG CA C 674 54.984 54.984 53.907 1.077 19229 7042 1 20 . 1 1 674 674 ARG CB C 674 35.552 35.552 33.410 2.142 19229 7043 1 20 . 1 1 674 674 ARG H H 674 8.982 8.982 8.188 0.794 19229 7044 1 20 . 1 1 675 675 VAL N N 675 116.941 116.941 118.230 -1.289 19229 7045 1 20 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.020 0.430 19229 7046 1 20 . 1 1 675 675 VAL C C 675 171.342 171.342 175.258 -3.916 19229 7047 1 20 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.304 -0.778 19229 7048 1 20 . 1 1 675 675 VAL CB C 675 35.310 35.310 32.772 2.538 19229 7049 1 20 . 1 1 675 675 VAL H H 675 9.109 9.109 8.481 0.628 19229 7050 1 20 . 1 1 676 676 GLN N N 676 126.293 126.293 126.509 -0.216 19229 7051 1 20 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.750 -0.697 19229 7052 1 20 . 1 1 676 676 GLN C C 676 174.910 174.910 175.647 -0.737 19229 7053 1 20 . 1 1 676 676 GLN CA C 676 53.209 53.209 55.548 -2.339 19229 7054 1 20 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.220 1.880 19229 7055 1 20 . 1 1 676 676 GLN H H 676 7.755 7.755 8.632 -0.877 19229 7056 1 20 . 1 1 677 677 CYS N N 677 128.217 128.217 125.928 2.289 19229 7057 1 20 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.815 -0.742 19229 7058 1 20 . 1 1 677 677 CYS C C 677 177.471 177.471 176.879 0.592 19229 7059 1 20 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.105 1.344 19229 7060 1 20 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.404 5.323 19229 7061 1 20 . 1 1 677 677 CYS H H 677 8.366 8.366 8.718 -0.352 19229 7062 1 20 . 1 1 678 678 LEU N N 678 131.279 131.279 126.241 5.038 19229 7063 1 20 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.031 -0.193 19229 7064 1 20 . 1 1 678 678 LEU C C 678 176.718 176.718 177.783 -1.065 19229 7065 1 20 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.594 -0.745 19229 7066 1 20 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.310 0.744 19229 7067 1 20 . 1 1 678 678 LEU H H 678 8.304 8.304 8.329 -0.025 19229 7068 1 20 . 1 1 679 679 LYS N N 679 120.707 120.707 118.358 2.349 19229 7069 1 20 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.063 0.272 19229 7070 1 20 . 1 1 679 679 LYS C C 679 176.160 176.160 177.213 -1.053 19229 7071 1 20 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.620 -0.633 19229 7072 1 20 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.752 0.284 19229 7073 1 20 . 1 1 679 679 LYS H H 679 8.752 8.752 8.282 0.470 19229 7074 1 20 . 1 1 680 680 CYS N N 680 118.211 118.211 113.882 4.329 19229 7075 1 20 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.799 -0.333 19229 7076 1 20 . 1 1 680 680 CYS C C 680 176.306 176.306 175.050 1.256 19229 7077 1 20 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.708 1.466 19229 7078 1 20 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.843 3.503 19229 7079 1 20 . 1 1 680 680 CYS H H 680 8.230 8.230 7.655 0.575 19229 7080 1 20 . 1 1 681 681 HIS N N 681 113.392 113.392 117.803 -4.411 19229 7081 1 20 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.998 0.206 19229 7082 1 20 . 1 1 681 681 HIS C C 681 173.478 173.478 173.084 0.394 19229 7083 1 20 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.648 0.342 19229 7084 1 20 . 1 1 681 681 HIS CB C 681 26.556 26.556 26.864 -0.308 19229 7085 1 20 . 1 1 681 681 HIS H H 681 7.149 7.149 8.094 -0.945 19229 7086 1 20 . 1 1 682 682 LEU N N 682 124.066 124.066 121.352 2.714 19229 7087 1 20 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.345 -0.050 19229 7088 1 20 . 1 1 682 682 LEU C C 682 176.670 176.670 174.982 1.688 19229 7089 1 20 . 1 1 682 682 LEU CA C 682 56.227 56.227 52.798 3.429 19229 7090 1 20 . 1 1 682 682 LEU CB C 682 44.035 44.035 42.587 1.448 19229 7091 1 20 . 1 1 682 682 LEU H H 682 8.172 8.172 7.321 0.851 19229 7092 1 20 . 1 1 683 683 TRP N N 683 124.208 124.208 126.023 -1.815 19229 7093 1 20 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.933 0.158 19229 7094 1 20 . 1 1 683 683 TRP C C 683 174.133 174.133 175.523 -1.390 19229 7095 1 20 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.815 0.909 19229 7096 1 20 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.634 1.180 19229 7097 1 20 . 1 1 683 683 TRP H H 683 8.666 8.666 8.399 0.267 19229 7098 1 20 . 1 1 684 684 GLN N N 684 114.943 114.943 119.769 -4.826 19229 7099 1 20 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.663 -0.698 19229 7100 1 20 . 1 1 684 684 GLN C C 684 176.002 176.002 174.427 1.575 19229 7101 1 20 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.346 0.249 19229 7102 1 20 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.653 -0.898 19229 7103 1 20 . 1 1 684 684 GLN H H 684 8.655 8.655 8.555 0.100 19229 7104 1 20 . 1 1 685 685 HIS N N 685 121.485 121.485 118.821 2.664 19229 7105 1 20 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.915 0.096 19229 7106 1 20 . 1 1 685 685 HIS C C 685 175.990 175.990 175.673 0.317 19229 7107 1 20 . 1 1 685 685 HIS CA C 685 58.024 58.024 55.402 2.622 19229 7108 1 20 . 1 1 685 685 HIS CB C 685 31.454 31.454 31.529 -0.075 19229 7109 1 20 . 1 1 685 685 HIS H H 685 9.487 9.487 8.320 1.167 19229 7110 1 20 . 1 1 686 686 ALA N N 686 125.728 125.728 127.416 -1.688 19229 7111 1 20 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.210 -0.508 19229 7112 1 20 . 1 1 686 686 ALA C C 686 179.000 179.000 178.887 0.113 19229 7113 1 20 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.558 -0.400 19229 7114 1 20 . 1 1 686 686 ALA CB C 686 17.858 17.858 19.042 -1.184 19229 7115 1 20 . 1 1 686 686 ALA H H 686 8.436 8.436 8.639 -0.203 19229 7116 1 20 . 1 1 687 687 LYS N N 687 116.216 116.216 115.627 0.589 19229 7117 1 20 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.402 -0.278 19229 7118 1 20 . 1 1 687 687 LYS C C 687 180.129 180.129 176.245 3.884 19229 7119 1 20 . 1 1 687 687 LYS CA C 687 58.681 58.681 57.007 1.674 19229 7120 1 20 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.375 0.887 19229 7121 1 20 . 1 1 687 687 LYS H H 687 9.407 9.407 8.628 0.779 19229 7122 1 20 . 1 1 688 688 CYS N N 688 117.136 117.136 117.658 -0.522 19229 7123 1 20 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.683 -0.754 19229 7124 1 20 . 1 1 688 688 CYS C C 688 176.439 176.439 175.572 0.867 19229 7125 1 20 . 1 1 688 688 CYS CA C 688 62.584 62.584 59.468 3.116 19229 7126 1 20 . 1 1 688 688 CYS CB C 688 30.149 30.149 27.517 2.632 19229 7127 1 20 . 1 1 688 688 CYS H H 688 6.702 6.702 7.609 -0.907 19229 7128 1 20 . 1 1 689 689 VAL N N 689 106.705 106.705 116.052 -9.347 19229 7129 1 20 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.335 0.079 19229 7130 1 20 . 1 1 689 689 VAL C C 689 175.007 175.007 175.168 -0.161 19229 7131 1 20 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.731 -1.571 19229 7132 1 20 . 1 1 689 689 VAL CB C 689 30.924 30.924 33.324 -2.400 19229 7133 1 20 . 1 1 689 689 VAL H H 689 6.932 6.932 7.302 -0.370 19229 7134 1 20 . 1 1 690 690 ASN N N 690 117.807 117.807 118.610 -0.803 19229 7135 1 20 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.445 -0.179 19229 7136 1 20 . 1 1 690 690 ASN C C 690 173.405 173.405 173.708 -0.303 19229 7137 1 20 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.511 -0.365 19229 7138 1 20 . 1 1 690 690 ASN CB C 690 37.094 37.094 37.810 -0.716 19229 7139 1 20 . 1 1 690 690 ASN H H 690 7.770 7.770 8.240 -0.470 19229 7140 1 20 . 1 1 691 691 TYR N N 691 120.010 120.010 121.909 -1.899 19229 7141 1 20 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.626 -0.186 19229 7142 1 20 . 1 1 691 691 TYR C C 691 174.073 174.073 172.836 1.237 19229 7143 1 20 . 1 1 691 691 TYR CA C 691 57.695 57.695 57.716 -0.021 19229 7144 1 20 . 1 1 691 691 TYR CB C 691 40.575 40.575 41.891 -1.316 19229 7145 1 20 . 1 1 691 691 TYR H H 691 8.271 8.271 7.654 0.617 19229 7146 1 20 . 1 1 692 692 ASP N N 692 126.612 126.612 122.105 4.507 19229 7147 1 20 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.886 -0.521 19229 7148 1 20 . 1 1 692 692 ASP C C 692 175.663 175.663 175.646 0.017 19229 7149 1 20 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.400 0.434 19229 7150 1 20 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.955 -2.581 19229 7151 1 20 . 1 1 692 692 ASP H H 692 7.799 7.799 7.709 0.090 19229 7152 1 20 . 1 1 693 693 GLU N N 693 125.198 125.198 120.910 4.288 19229 7153 1 20 . 1 1 693 693 GLU HA H 693 3.924 3.924 3.974 -0.050 19229 7154 1 20 . 1 1 693 693 GLU C C 693 177.119 177.119 177.916 -0.797 19229 7155 1 20 . 1 1 693 693 GLU CA C 693 58.188 58.188 59.197 -1.009 19229 7156 1 20 . 1 1 693 693 GLU CB C 693 29.097 29.097 28.880 0.217 19229 7157 1 20 . 1 1 693 693 GLU H H 693 8.792 8.792 8.775 0.017 19229 7158 1 20 . 1 1 694 694 LYS N N 694 120.048 120.048 117.313 2.735 19229 7159 1 20 . 1 1 694 694 LYS HA H 694 4.070 4.070 4.020 0.050 19229 7160 1 20 . 1 1 694 694 LYS C C 694 177.168 177.168 177.555 -0.387 19229 7161 1 20 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.763 -1.208 19229 7162 1 20 . 1 1 694 694 LYS CB C 694 31.487 31.487 31.990 -0.503 19229 7163 1 20 . 1 1 694 694 LYS H H 694 8.294 8.294 8.449 -0.155 19229 7164 1 20 . 1 1 695 695 ASN N N 695 117.271 117.271 115.024 2.247 19229 7165 1 20 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.682 -0.072 19229 7166 1 20 . 1 1 695 695 ASN C C 695 175.517 175.517 175.990 -0.473 19229 7167 1 20 . 1 1 695 695 ASN CA C 695 52.975 52.975 53.219 -0.244 19229 7168 1 20 . 1 1 695 695 ASN CB C 695 38.673 38.673 39.354 -0.681 19229 7169 1 20 . 1 1 695 695 ASN H H 695 7.809 7.809 7.687 0.122 19229 7170 1 20 . 1 1 696 696 LEU N N 696 122.015 122.015 123.673 -1.658 19229 7171 1 20 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.527 -0.319 19229 7172 1 20 . 1 1 696 696 LEU C C 696 177.823 177.823 177.513 0.310 19229 7173 1 20 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.571 -0.368 19229 7174 1 20 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.258 -0.133 19229 7175 1 20 . 1 1 696 696 LEU H H 696 7.764 7.764 7.334 0.430 19229 7176 1 20 . 1 1 697 697 LYS N N 697 116.437 116.437 117.377 -0.940 19229 7177 1 20 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.166 -0.029 19229 7178 1 20 . 1 1 697 697 LYS C C 697 176.536 176.536 177.585 -1.049 19229 7179 1 20 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.350 -1.393 19229 7180 1 20 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.317 -0.266 19229 7181 1 20 . 1 1 697 697 LYS H H 697 8.277 8.277 7.518 0.759 19229 7182 1 20 . 1 1 698 698 ILE N N 698 117.807 117.807 117.226 0.581 19229 7183 1 20 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.204 -0.137 19229 7184 1 20 . 1 1 698 698 ILE C C 698 175.700 175.700 176.748 -1.048 19229 7185 1 20 . 1 1 698 698 ILE CA C 698 61.827 61.827 62.160 -0.333 19229 7186 1 20 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.081 0.085 19229 7187 1 20 . 1 1 698 698 ILE H H 698 7.650 7.650 7.563 0.087 19229 7188 1 20 . 1 1 699 699 LYS N N 699 123.286 123.286 120.209 3.077 19229 7189 1 20 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.780 -0.025 19229 7190 1 20 . 1 1 699 699 LYS CA C 699 53.397 53.397 53.679 -0.282 19229 7191 1 20 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.371 1.230 19229 7192 1 20 . 1 1 699 699 LYS H H 699 8.121 8.121 7.916 0.205 19229 7193 1 20 . 1 1 700 700 PRO HA H 700 4.250 4.250 3.903 0.347 19229 7194 1 20 . 1 1 700 700 PRO C C 700 175.213 175.213 175.720 -0.507 19229 7195 1 20 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.048 -0.248 19229 7196 1 20 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.878 0.844 19229 7197 1 20 . 1 1 701 701 PHE N N 701 122.959 122.959 115.812 7.147 19229 7198 1 20 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.504 -0.257 19229 7199 1 20 . 1 1 701 701 PHE C C 701 171.657 171.657 172.728 -1.071 19229 7200 1 20 . 1 1 701 701 PHE CA C 701 58.140 58.140 55.884 2.256 19229 7201 1 20 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.492 -2.044 19229 7202 1 20 . 1 1 701 701 PHE H H 701 8.042 8.042 6.944 1.098 19229 7203 1 20 . 1 1 702 702 TYR N N 702 123.854 123.854 120.647 3.207 19229 7204 1 20 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.800 0.230 19229 7205 1 20 . 1 1 702 702 TYR C C 702 173.915 173.915 175.254 -1.339 19229 7206 1 20 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.521 -1.715 19229 7207 1 20 . 1 1 702 702 TYR CB C 702 41.069 41.069 41.797 -0.728 19229 7208 1 20 . 1 1 702 702 TYR H H 702 6.754 6.754 7.925 -1.171 19229 7209 1 20 . 1 1 703 703 CYS N N 703 124.963 124.963 119.590 5.373 19229 7210 1 20 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.883 -0.630 19229 7211 1 20 . 1 1 703 703 CYS CA C 703 57.300 57.300 56.067 1.233 19229 7212 1 20 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.634 1.317 19229 7213 1 20 . 1 1 703 703 CYS H H 703 9.298 9.298 8.536 0.762 19229 7214 1 20 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.172 -0.125 19229 7215 1 20 . 1 1 704 704 PRO C C 704 178.818 178.818 177.935 0.883 19229 7216 1 20 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.712 -0.061 19229 7217 1 20 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.619 0.372 19229 7218 1 20 . 1 1 705 705 HIS N N 705 115.532 115.532 117.021 -1.489 19229 7219 1 20 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.266 0.016 19229 7220 1 20 . 1 1 705 705 HIS C C 705 177.689 177.689 177.217 0.472 19229 7221 1 20 . 1 1 705 705 HIS CA C 705 58.646 58.646 60.141 -1.495 19229 7222 1 20 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.732 -0.006 19229 7223 1 20 . 1 1 705 705 HIS H H 705 7.843 7.843 8.587 -0.744 19229 7224 1 20 . 1 1 706 706 CYS N N 706 124.314 124.314 118.156 6.158 19229 7225 1 20 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.223 -0.452 19229 7226 1 20 . 1 1 706 706 CYS C C 706 177.204 177.204 177.144 0.060 19229 7227 1 20 . 1 1 706 706 CYS CA C 706 64.247 64.247 62.912 1.335 19229 7228 1 20 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.095 3.349 19229 7229 1 20 . 1 1 706 706 CYS H H 706 8.442 8.442 8.047 0.395 19229 7230 1 20 . 1 1 707 707 LEU N N 707 119.208 119.208 121.501 -2.293 19229 7231 1 20 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.972 -0.222 19229 7232 1 20 . 1 1 707 707 LEU C C 707 178.903 178.903 178.998 -0.095 19229 7233 1 20 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.437 -1.235 19229 7234 1 20 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.391 0.592 19229 7235 1 20 . 1 1 707 707 LEU H H 707 8.162 8.162 7.479 0.683 19229 7236 1 20 . 1 1 708 708 VAL N N 708 116.959 116.959 116.638 0.321 19229 7237 1 20 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.667 0.082 19229 7238 1 20 . 1 1 708 708 VAL C C 708 176.876 176.876 177.252 -0.376 19229 7239 1 20 . 1 1 708 708 VAL CA C 708 64.077 64.077 64.762 -0.685 19229 7240 1 20 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.042 0.942 19229 7241 1 20 . 1 1 708 708 VAL H H 708 7.161 7.161 8.111 -0.950 19229 7242 1 20 . 1 1 709 709 ALA N N 709 122.758 122.758 120.179 2.579 19229 7243 1 20 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.061 0.052 19229 7244 1 20 . 1 1 709 709 ALA C C 709 177.859 177.859 178.675 -0.816 19229 7245 1 20 . 1 1 709 709 ALA CA C 709 52.693 52.693 53.906 -1.213 19229 7246 1 20 . 1 1 709 709 ALA CB C 709 18.736 18.736 19.084 -0.348 19229 7247 1 20 . 1 1 709 709 ALA H H 709 7.408 7.408 7.426 -0.018 19229 7248 1 20 . 1 1 710 710 MET N N 710 117.242 117.242 116.580 0.662 19229 7249 1 20 . 1 1 710 710 MET HA H 710 4.197 4.197 4.340 -0.143 19229 7250 1 20 . 1 1 710 710 MET C C 710 175.832 175.832 176.800 -0.968 19229 7251 1 20 . 1 1 710 710 MET CA C 710 55.557 55.557 56.934 -1.377 19229 7252 1 20 . 1 1 710 710 MET CB C 710 33.440 33.440 33.207 0.233 19229 7253 1 20 . 1 1 710 710 MET H H 710 7.586 7.586 7.548 0.038 19229 7254 1 20 . 1 1 711 711 GLU N N 711 122.546 122.546 119.830 2.716 19229 7255 1 20 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.532 -0.145 19229 7256 1 20 . 1 1 711 711 GLU CA C 711 54.384 54.384 53.914 0.470 19229 7257 1 20 . 1 1 711 711 GLU CB C 711 29.444 29.444 28.900 0.544 19229 7258 1 20 . 1 1 711 711 GLU H H 711 7.828 7.828 7.560 0.268 19229 7259 1 20 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.368 -0.036 19229 7260 1 20 . 1 1 712 712 PRO C C 712 176.876 176.876 176.513 0.363 19229 7261 1 20 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.580 0.414 19229 7262 1 20 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.368 -0.446 19229 7263 1 20 . 1 1 713 713 VAL N N 713 120.328 120.328 117.638 2.690 19229 7264 1 20 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.301 -0.308 19229 7265 1 20 . 1 1 713 713 VAL C C 713 176.257 176.257 176.260 -0.003 19229 7266 1 20 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.654 -0.521 19229 7267 1 20 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.302 0.313 19229 7268 1 20 . 1 1 713 713 VAL H H 713 8.157 8.157 7.964 0.193 19229 7269 1 20 . 1 1 714 714 SER N N 714 119.503 119.503 120.136 -0.633 19229 7270 1 20 . 1 1 714 714 SER HA H 714 4.440 4.440 4.617 -0.177 19229 7271 1 20 . 1 1 714 714 SER C C 714 174.619 174.619 174.319 0.300 19229 7272 1 20 . 1 1 714 714 SER CA C 714 57.976 57.976 57.319 0.657 19229 7273 1 20 . 1 1 714 714 SER CB C 714 63.816 63.816 63.286 0.530 19229 7274 1 20 . 1 1 714 714 SER H H 714 8.368 8.368 8.374 -0.006 19229 7275 1 20 . 1 1 715 715 THR N N 715 116.281 116.281 122.939 -6.658 19229 7276 1 20 . 1 1 715 715 THR HA H 715 4.261 4.261 4.350 -0.089 19229 7277 1 20 . 1 1 715 715 THR C C 715 173.559 173.559 174.393 -0.834 19229 7278 1 20 . 1 1 715 715 THR CA C 715 61.499 61.499 63.177 -1.678 19229 7279 1 20 . 1 1 715 715 THR CB C 715 69.476 69.476 68.893 0.583 19229 7280 1 20 . 1 1 715 715 THR H H 715 8.141 8.141 8.460 -0.319 19229 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 59 3.591 -1.135 3.436 19229 2 1 1 "Average Difference" HA 64 0.326 0.143 0.295 19229 3 1 1 "Average Difference" C 59 1.176 0.120 1.180 19229 4 1 1 "Average Difference" CA 63 1.266 -0.059 1.275 19229 5 1 1 "Average Difference" CB 62 1.557 -0.295 1.542 19229 6 1 1 "Average Difference" HN 59 0.560 -0.056 0.562 19229 7 1 2 "Average Difference" N 59 3.498 -1.048 3.366 19229 8 1 2 "Average Difference" HA 64 0.312 0.108 0.295 19229 9 1 2 "Average Difference" C 59 1.141 0.258 1.121 19229 10 1 2 "Average Difference" CA 63 1.240 0.022 1.249 19229 11 1 2 "Average Difference" CB 62 1.582 -0.491 1.516 19229 12 1 2 "Average Difference" HN 59 0.550 -0.047 0.553 19229 13 1 3 "Average Difference" N 59 3.941 -1.249 3.769 19229 14 1 3 "Average Difference" HA 64 0.334 0.127 0.312 19229 15 1 3 "Average Difference" C 59 1.219 0.070 1.227 19229 16 1 3 "Average Difference" CA 63 1.243 -0.015 1.253 19229 17 1 3 "Average Difference" CB 62 1.657 -0.400 1.621 19229 18 1 3 "Average Difference" HN 59 0.535 -0.081 0.534 19229 19 1 4 "Average Difference" N 59 3.616 -1.125 3.467 19229 20 1 4 "Average Difference" HA 64 0.333 0.132 0.308 19229 21 1 4 "Average Difference" C 59 1.253 0.182 1.250 19229 22 1 4 "Average Difference" CA 63 1.279 -0.014 1.289 19229 23 1 4 "Average Difference" CB 62 1.553 -0.342 1.527 19229 24 1 4 "Average Difference" HN 59 0.551 -0.062 0.553 19229 25 1 5 "Average Difference" N 59 3.265 -1.231 3.050 19229 26 1 5 "Average Difference" HA 64 0.334 0.105 0.319 19229 27 1 5 "Average Difference" C 59 1.140 0.175 1.136 19229 28 1 5 "Average Difference" CA 63 1.127 0.038 1.135 19229 29 1 5 "Average Difference" CB 62 1.682 -0.429 1.640 19229 30 1 5 "Average Difference" HN 59 0.585 -0.056 0.588 19229 31 1 6 "Average Difference" N 59 3.794 -1.388 3.561 19229 32 1 6 "Average Difference" HA 64 0.340 0.092 0.330 19229 33 1 6 "Average Difference" C 59 1.112 0.266 1.089 19229 34 1 6 "Average Difference" CA 63 1.220 0.079 1.227 19229 35 1 6 "Average Difference" CB 62 1.635 -0.516 1.564 19229 36 1 6 "Average Difference" HN 59 0.623 -0.051 0.626 19229 37 1 7 "Average Difference" N 59 3.526 -0.956 3.424 19229 38 1 7 "Average Difference" HA 64 0.334 0.097 0.322 19229 39 1 7 "Average Difference" C 59 1.192 0.221 1.181 19229 40 1 7 "Average Difference" CA 63 1.206 0.010 1.215 19229 41 1 7 "Average Difference" CB 62 1.686 -0.464 1.634 19229 42 1 7 "Average Difference" HN 59 0.590 -0.066 0.591 19229 43 1 8 "Average Difference" N 59 3.943 -1.122 3.812 19229 44 1 8 "Average Difference" HA 64 0.327 0.116 0.308 19229 45 1 8 "Average Difference" C 59 1.092 0.183 1.086 19229 46 1 8 "Average Difference" CA 63 1.132 0.006 1.141 19229 47 1 8 "Average Difference" CB 62 1.703 -0.466 1.651 19229 48 1 8 "Average Difference" HN 59 0.593 -0.024 0.597 19229 49 1 9 "Average Difference" N 59 3.626 -1.592 3.286 19229 50 1 9 "Average Difference" HA 64 0.315 0.124 0.292 19229 51 1 9 "Average Difference" C 59 1.235 0.196 1.230 19229 52 1 9 "Average Difference" CA 63 1.363 -0.056 1.373 19229 53 1 9 "Average Difference" CB 62 1.632 -0.448 1.583 19229 54 1 9 "Average Difference" HN 59 0.554 -0.014 0.558 19229 55 1 10 "Average Difference" N 59 3.493 -1.306 3.267 19229 56 1 10 "Average Difference" HA 64 0.321 0.125 0.298 19229 57 1 10 "Average Difference" C 59 1.096 0.168 1.092 19229 58 1 10 "Average Difference" CA 63 1.142 0.060 1.149 19229 59 1 10 "Average Difference" CB 62 1.663 -0.443 1.616 19229 60 1 10 "Average Difference" HN 59 0.559 -0.085 0.557 19229 61 1 11 "Average Difference" N 59 3.852 -1.365 3.633 19229 62 1 11 "Average Difference" HA 64 0.343 0.094 0.332 19229 63 1 11 "Average Difference" C 59 1.132 0.282 1.105 19229 64 1 11 "Average Difference" CA 63 1.302 -0.028 1.312 19229 65 1 11 "Average Difference" CB 62 1.733 -0.445 1.689 19229 66 1 11 "Average Difference" HN 59 0.573 -0.069 0.574 19229 67 1 12 "Average Difference" N 59 3.757 -1.545 3.454 19229 68 1 12 "Average Difference" HA 64 0.326 0.124 0.303 19229 69 1 12 "Average Difference" C 59 1.142 0.109 1.147 19229 70 1 12 "Average Difference" CA 63 1.199 -0.130 1.202 19229 71 1 12 "Average Difference" CB 62 1.771 -0.328 1.755 19229 72 1 12 "Average Difference" HN 59 0.587 -0.051 0.590 19229 73 1 13 "Average Difference" N 59 3.483 -1.168 3.310 19229 74 1 13 "Average Difference" HA 64 0.336 0.112 0.320 19229 75 1 13 "Average Difference" C 59 1.098 0.296 1.066 19229 76 1 13 "Average Difference" CA 63 1.227 -0.040 1.236 19229 77 1 13 "Average Difference" CB 62 1.703 -0.488 1.645 19229 78 1 13 "Average Difference" HN 59 0.615 -0.040 0.619 19229 79 1 14 "Average Difference" N 59 3.627 -0.767 3.575 19229 80 1 14 "Average Difference" HA 64 0.337 0.108 0.322 19229 81 1 14 "Average Difference" C 59 1.044 0.159 1.040 19229 82 1 14 "Average Difference" CA 63 1.040 -0.010 1.048 19229 83 1 14 "Average Difference" CB 62 1.624 -0.455 1.571 19229 84 1 14 "Average Difference" HN 59 0.539 0.031 0.543 19229 85 1 15 "Average Difference" N 59 3.735 -0.999 3.630 19229 86 1 15 "Average Difference" HA 64 0.361 0.099 0.350 19229 87 1 15 "Average Difference" C 59 1.185 0.140 1.187 19229 88 1 15 "Average Difference" CA 63 1.301 0.085 1.308 19229 89 1 15 "Average Difference" CB 62 1.576 -0.383 1.541 19229 90 1 15 "Average Difference" HN 59 0.580 -0.050 0.583 19229 91 1 16 "Average Difference" N 59 3.731 -1.412 3.483 19229 92 1 16 "Average Difference" HA 64 0.361 0.102 0.349 19229 93 1 16 "Average Difference" C 59 1.209 0.114 1.214 19229 94 1 16 "Average Difference" CA 63 1.296 0.043 1.306 19229 95 1 16 "Average Difference" CB 62 1.598 -0.340 1.574 19229 96 1 16 "Average Difference" HN 59 0.573 -0.040 0.577 19229 97 1 17 "Average Difference" N 59 3.433 -1.260 3.221 19229 98 1 17 "Average Difference" HA 64 0.329 0.098 0.316 19229 99 1 17 "Average Difference" C 59 1.225 0.115 1.230 19229 100 1 17 "Average Difference" CA 63 1.181 0.015 1.190 19229 101 1 17 "Average Difference" CB 62 1.607 -0.410 1.566 19229 102 1 17 "Average Difference" HN 59 0.551 -0.094 0.547 19229 103 1 18 "Average Difference" N 59 3.758 -1.371 3.529 19229 104 1 18 "Average Difference" HA 64 0.343 0.120 0.324 19229 105 1 18 "Average Difference" C 59 1.181 0.174 1.178 19229 106 1 18 "Average Difference" CA 63 1.175 -0.004 1.184 19229 107 1 18 "Average Difference" CB 62 1.676 -0.333 1.656 19229 108 1 18 "Average Difference" HN 59 0.572 -0.079 0.572 19229 109 1 19 "Average Difference" N 59 3.457 -0.838 3.383 19229 110 1 19 "Average Difference" HA 64 0.333 0.147 0.301 19229 111 1 19 "Average Difference" C 59 1.199 0.095 1.205 19229 112 1 19 "Average Difference" CA 63 1.231 -0.006 1.240 19229 113 1 19 "Average Difference" CB 62 1.686 -0.409 1.649 19229 114 1 19 "Average Difference" HN 59 0.587 -0.030 0.591 19229 115 1 20 "Average Difference" N 59 3.762 -1.508 3.477 19229 116 1 20 "Average Difference" HA 64 0.357 0.119 0.339 19229 117 1 20 "Average Difference" C 59 1.197 0.112 1.202 19229 118 1 20 "Average Difference" CA 63 1.329 -0.079 1.337 19229 119 1 20 "Average Difference" CB 62 1.692 -0.400 1.658 19229 120 1 20 "Average Difference" HN 59 0.535 -0.073 0.535 19229 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 19229 _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 1 653 653 ASN N N 653 120.067 120.067 122.739 -2.672 19229 2 1 . 1 1 653 653 ASN HA H 653 4.588 4.588 4.899 -0.311 19229 3 1 . 1 1 653 653 ASN C C 653 175.383 175.383 174.970 0.413 19229 4 1 . 1 1 653 653 ASN CA C 653 53.194 53.194 53.383 -0.189 19229 5 1 . 1 1 653 653 ASN CB C 653 38.813 38.813 38.928 -0.115 19229 6 1 . 1 1 653 653 ASN H H 653 8.357 8.357 8.638 -0.281 19229 7 1 . 1 1 654 654 THR N N 654 113.812 113.812 114.287 -0.475 19229 8 1 . 1 1 654 654 THR HA H 654 4.260 4.260 4.366 -0.106 19229 9 1 . 1 1 654 654 THR C C 654 174.825 174.825 174.187 0.638 19229 10 1 . 1 1 654 654 THR CA C 654 61.806 61.806 62.349 -0.543 19229 11 1 . 1 1 654 654 THR CB C 654 69.645 69.645 69.363 0.282 19229 12 1 . 1 1 654 654 THR H H 654 8.040 8.040 8.241 -0.201 19229 13 1 . 1 1 655 655 SER N N 655 117.231 117.231 117.753 -0.522 19229 14 1 . 1 1 655 655 SER HA H 655 4.367 4.367 4.435 -0.068 19229 15 1 . 1 1 655 655 SER C C 655 174.218 174.218 173.240 0.978 19229 16 1 . 1 1 655 655 SER CA C 655 58.681 58.681 58.166 0.514 19229 17 1 . 1 1 655 655 SER CB C 655 63.586 63.586 64.084 -0.498 19229 18 1 . 1 1 655 655 SER H H 655 8.277 8.277 8.163 0.114 19229 19 1 . 1 1 656 656 ASP N N 656 121.799 121.799 122.472 -0.673 19229 20 1 . 1 1 656 656 ASP HA H 656 4.531 4.531 4.530 0.001 19229 21 1 . 1 1 656 656 ASP C C 656 175.250 175.250 174.939 0.311 19229 22 1 . 1 1 656 656 ASP CA C 656 54.385 54.385 53.926 0.459 19229 23 1 . 1 1 656 656 ASP CB C 656 41.069 41.069 41.481 -0.412 19229 24 1 . 1 1 656 656 ASP H H 656 8.197 8.197 7.959 0.238 19229 25 1 . 1 1 657 657 TYR N N 657 122.165 122.165 120.854 1.311 19229 26 1 . 1 1 657 657 TYR HA H 657 4.446 4.446 4.483 -0.037 19229 27 1 . 1 1 657 657 TYR C C 657 174.607 174.607 175.677 -1.070 19229 28 1 . 1 1 657 657 TYR CA C 657 58.688 58.688 57.601 1.087 19229 29 1 . 1 1 657 657 TYR CB C 657 39.025 39.025 38.848 0.177 19229 30 1 . 1 1 657 657 TYR H H 657 8.023 8.023 8.387 -0.364 19229 31 1 . 1 1 658 658 ARG N N 658 128.309 128.309 124.717 3.592 19229 32 1 . 1 1 658 658 ARG HA H 658 4.377 4.377 4.132 0.245 19229 33 1 . 1 1 658 658 ARG C C 658 172.871 172.871 175.424 -2.553 19229 34 1 . 1 1 658 658 ARG CA C 658 55.440 55.440 55.273 0.166 19229 35 1 . 1 1 658 658 ARG CB C 658 32.262 32.262 28.847 3.415 19229 36 1 . 1 1 658 658 ARG H H 658 8.637 8.637 8.476 0.161 19229 37 1 . 1 1 659 659 PHE N N 659 125.304 125.304 120.616 4.688 19229 38 1 . 1 1 659 659 PHE HA H 659 4.925 4.925 4.541 0.384 19229 39 1 . 1 1 659 659 PHE C C 659 174.558 174.558 174.716 -0.158 19229 40 1 . 1 1 659 659 PHE CA C 659 56.471 56.471 55.979 0.492 19229 41 1 . 1 1 659 659 PHE CB C 659 41.719 41.719 38.113 3.606 19229 42 1 . 1 1 659 659 PHE H H 659 8.551 8.551 7.373 1.178 19229 43 1 . 1 1 660 660 GLU N N 660 128.804 128.804 122.908 5.896 19229 44 1 . 1 1 660 660 GLU HA H 660 3.954 3.954 4.572 -0.618 19229 45 1 . 1 1 660 660 GLU C C 660 172.361 172.361 174.930 -2.569 19229 46 1 . 1 1 660 660 GLU CA C 660 56.471 56.471 54.902 1.569 19229 47 1 . 1 1 660 660 GLU CB C 660 31.644 31.644 32.909 -1.265 19229 48 1 . 1 1 660 660 GLU H H 660 7.833 7.833 7.944 -0.111 19229 49 1 . 1 1 661 661 CYS N N 661 127.001 127.001 122.118 4.883 19229 50 1 . 1 1 661 661 CYS HA H 661 4.358 4.358 4.653 -0.295 19229 51 1 . 1 1 661 661 CYS C C 661 176.221 176.221 177.188 -0.967 19229 52 1 . 1 1 661 661 CYS CA C 661 59.045 59.045 58.763 0.282 19229 53 1 . 1 1 661 661 CYS CB C 661 30.839 30.839 28.294 2.545 19229 54 1 . 1 1 661 661 CYS H H 661 8.356 8.356 8.662 -0.306 19229 55 1 . 1 1 662 662 ILE N N 662 127.765 127.765 122.915 4.850 19229 56 1 . 1 1 662 662 ILE HA H 662 4.128 4.128 3.891 0.237 19229 57 1 . 1 1 662 662 ILE C C 662 176.439 176.439 176.384 0.055 19229 58 1 . 1 1 662 662 ILE CA C 662 63.306 63.306 63.576 -0.270 19229 59 1 . 1 1 662 662 ILE CB C 662 38.462 38.462 37.125 1.337 19229 60 1 . 1 1 662 662 ILE H H 662 8.075 8.075 8.625 -0.550 19229 61 1 . 1 1 663 663 CYS N N 663 120.000 120.000 116.687 3.313 19229 62 1 . 1 1 663 663 CYS HA H 663 4.538 4.538 4.715 -0.177 19229 63 1 . 1 1 663 663 CYS C C 663 177.046 177.046 176.261 0.785 19229 64 1 . 1 1 663 663 CYS CA C 663 58.892 58.892 58.484 0.408 19229 65 1 . 1 1 663 663 CYS CB C 663 30.994 30.994 27.914 3.080 19229 66 1 . 1 1 663 663 CYS H H 663 7.661 7.661 8.119 -0.458 19229 67 1 . 1 1 664 664 GLY N N 664 110.372 110.372 111.936 -1.564 19229 68 1 . 1 1 664 664 GLY C C 664 173.818 173.818 174.412 -0.594 19229 69 1 . 1 1 664 664 GLY CA C 664 45.859 45.859 45.787 0.072 19229 70 1 . 1 1 664 664 GLY H H 664 7.855 7.855 8.137 -0.282 19229 71 1 . 1 1 665 665 GLU N N 665 122.002 122.002 120.204 1.798 19229 72 1 . 1 1 665 665 GLU HA H 665 4.353 4.353 4.465 -0.112 19229 73 1 . 1 1 665 665 GLU C C 665 175.990 175.990 176.437 -0.447 19229 74 1 . 1 1 665 665 GLU CA C 665 56.286 56.286 56.635 -0.349 19229 75 1 . 1 1 665 665 GLU CB C 665 31.276 31.276 31.268 0.008 19229 76 1 . 1 1 665 665 GLU H H 665 8.276 8.276 8.190 0.086 19229 77 1 . 1 1 666 666 LEU N N 666 122.355 122.355 119.666 2.690 19229 78 1 . 1 1 666 666 LEU HA H 666 4.349 4.349 4.535 -0.186 19229 79 1 . 1 1 666 666 LEU C C 666 176.816 176.816 175.608 1.208 19229 80 1 . 1 1 666 666 LEU CA C 666 54.595 54.595 54.439 0.156 19229 81 1 . 1 1 666 666 LEU CB C 666 42.549 42.549 44.038 -1.489 19229 82 1 . 1 1 666 666 LEU H H 666 8.341 8.341 8.227 0.114 19229 83 1 . 1 1 667 667 ASP N N 667 121.075 121.075 120.473 0.602 19229 84 1 . 1 1 667 667 ASP HA H 667 4.046 4.046 4.663 -0.617 19229 85 1 . 1 1 667 667 ASP C C 667 175.432 175.432 174.923 0.509 19229 86 1 . 1 1 667 667 ASP CA C 667 54.172 54.172 53.680 0.492 19229 87 1 . 1 1 667 667 ASP CB C 667 41.069 41.069 40.838 0.231 19229 88 1 . 1 1 667 667 ASP H H 667 8.325 8.325 8.542 -0.217 19229 89 1 . 1 1 668 668 GLN N N 668 121.978 121.978 118.970 3.008 19229 90 1 . 1 1 668 668 GLN HA H 668 4.197 4.197 4.646 -0.449 19229 91 1 . 1 1 668 668 GLN C C 668 175.420 175.420 175.581 -0.161 19229 92 1 . 1 1 668 668 GLN CA C 668 55.225 55.225 54.463 0.762 19229 93 1 . 1 1 668 668 GLN CB C 668 30.149 30.149 31.445 -1.296 19229 94 1 . 1 1 668 668 GLN H H 668 8.083 8.083 7.948 0.135 19229 95 1 . 1 1 669 669 ILE N N 669 120.079 120.079 121.198 -1.119 19229 96 1 . 1 1 669 669 ILE HA H 669 3.878 3.878 4.063 -0.185 19229 97 1 . 1 1 669 669 ILE C C 669 175.347 175.347 176.374 -1.027 19229 98 1 . 1 1 669 669 ILE CA C 669 61.499 61.499 62.794 -1.296 19229 99 1 . 1 1 669 669 ILE CB C 669 37.123 37.123 37.897 -0.773 19229 100 1 . 1 1 669 669 ILE H H 669 8.155 8.155 8.593 -0.438 19229 101 1 . 1 1 670 670 ASP N N 670 123.410 123.410 119.894 3.516 19229 102 1 . 1 1 670 670 ASP HA H 670 4.426 4.426 4.401 0.025 19229 103 1 . 1 1 670 670 ASP C C 670 176.124 176.124 177.219 -1.095 19229 104 1 . 1 1 670 670 ASP CA C 670 53.609 53.609 56.258 -2.649 19229 105 1 . 1 1 670 670 ASP CB C 670 41.139 41.139 40.943 0.196 19229 106 1 . 1 1 670 670 ASP H H 670 7.992 7.992 8.119 -0.127 19229 107 1 . 1 1 671 671 ARG N N 671 118.285 118.285 118.807 -0.522 19229 108 1 . 1 1 671 671 ARG HA H 671 4.169 4.169 4.366 -0.197 19229 109 1 . 1 1 671 671 ARG C C 671 176.476 176.476 176.214 0.262 19229 110 1 . 1 1 671 671 ARG CA C 671 56.038 56.038 56.957 -0.919 19229 111 1 . 1 1 671 671 ARG CB C 671 29.552 29.552 31.518 -1.966 19229 112 1 . 1 1 671 671 ARG H H 671 8.274 8.274 7.990 0.284 19229 113 1 . 1 1 672 672 LYS N N 672 122.196 122.196 119.250 2.946 19229 114 1 . 1 1 672 672 LYS HA H 672 4.486 4.486 4.771 -0.285 19229 115 1 . 1 1 672 672 LYS CA C 672 54.947 54.947 52.427 2.520 19229 116 1 . 1 1 672 672 LYS CB C 672 32.262 32.262 32.748 -0.486 19229 117 1 . 1 1 672 672 LYS H H 672 8.060 8.060 7.939 0.121 19229 118 1 . 1 1 673 673 PRO HA H 673 4.398 4.398 4.387 0.011 19229 119 1 . 1 1 673 673 PRO C C 673 177.204 177.204 175.915 1.289 19229 120 1 . 1 1 673 673 PRO CA C 673 63.964 63.964 63.110 0.854 19229 121 1 . 1 1 673 673 PRO CB C 673 32.538 32.538 32.237 0.301 19229 122 1 . 1 1 674 674 ARG N N 674 123.076 123.076 120.006 3.070 19229 123 1 . 1 1 674 674 ARG HA H 674 5.488 5.488 4.757 0.731 19229 124 1 . 1 1 674 674 ARG C C 674 174.473 174.473 174.849 -0.376 19229 125 1 . 1 1 674 674 ARG CA C 674 54.984 54.984 54.466 0.518 19229 126 1 . 1 1 674 674 ARG CB C 674 35.552 35.552 32.990 2.562 19229 127 1 . 1 1 674 674 ARG H H 674 8.982 8.982 8.193 0.789 19229 128 1 . 1 1 675 675 VAL N N 675 116.941 116.941 118.557 -1.616 19229 129 1 . 1 1 675 675 VAL HA H 675 4.450 4.450 4.116 0.334 19229 130 1 . 1 1 675 675 VAL C C 675 171.342 171.342 175.085 -3.743 19229 131 1 . 1 1 675 675 VAL CA C 675 59.526 59.526 60.386 -0.859 19229 132 1 . 1 1 675 675 VAL CB C 675 35.310 35.310 33.465 1.845 19229 133 1 . 1 1 675 675 VAL H H 675 9.109 9.109 8.578 0.531 19229 134 1 . 1 1 676 676 GLN N N 676 126.293 126.293 125.644 0.649 19229 135 1 . 1 1 676 676 GLN HA H 676 4.053 4.053 4.815 -0.762 19229 136 1 . 1 1 676 676 GLN C C 676 174.910 174.910 175.571 -0.661 19229 137 1 . 1 1 676 676 GLN CA C 676 53.209 53.209 54.958 -1.749 19229 138 1 . 1 1 676 676 GLN CB C 676 29.100 29.100 27.868 1.232 19229 139 1 . 1 1 676 676 GLN H H 676 7.755 7.755 8.530 -0.775 19229 140 1 . 1 1 677 677 CYS N N 677 128.217 128.217 125.177 3.040 19229 141 1 . 1 1 677 677 CYS HA H 677 4.073 4.073 4.796 -0.723 19229 142 1 . 1 1 677 677 CYS C C 677 177.471 177.471 176.762 0.709 19229 143 1 . 1 1 677 677 CYS CA C 677 59.449 59.449 58.510 0.939 19229 144 1 . 1 1 677 677 CYS CB C 677 30.727 30.727 25.966 4.761 19229 145 1 . 1 1 677 677 CYS H H 677 8.366 8.366 8.692 -0.326 19229 146 1 . 1 1 678 678 LEU N N 678 131.279 131.279 126.667 4.612 19229 147 1 . 1 1 678 678 LEU HA H 678 3.838 3.838 4.072 -0.234 19229 148 1 . 1 1 678 678 LEU C C 678 176.718 176.718 177.501 -0.783 19229 149 1 . 1 1 678 678 LEU CA C 678 56.849 56.849 57.471 -0.622 19229 150 1 . 1 1 678 678 LEU CB C 678 42.054 42.054 41.362 0.692 19229 151 1 . 1 1 678 678 LEU H H 678 8.304 8.304 8.243 0.061 19229 152 1 . 1 1 679 679 LYS N N 679 120.707 120.707 118.305 2.402 19229 153 1 . 1 1 679 679 LYS HA H 679 4.335 4.335 4.131 0.204 19229 154 1 . 1 1 679 679 LYS C C 679 176.160 176.160 177.097 -0.937 19229 155 1 . 1 1 679 679 LYS CA C 679 57.986 57.986 58.203 -0.217 19229 156 1 . 1 1 679 679 LYS CB C 679 33.037 33.037 32.796 0.241 19229 157 1 . 1 1 679 679 LYS H H 679 8.752 8.752 8.343 0.409 19229 158 1 . 1 1 680 680 CYS N N 680 118.211 118.211 114.129 4.082 19229 159 1 . 1 1 680 680 CYS HA H 680 4.466 4.466 4.713 -0.247 19229 160 1 . 1 1 680 680 CYS C C 680 176.306 176.306 174.624 1.682 19229 161 1 . 1 1 680 680 CYS CA C 680 59.174 59.174 57.498 1.676 19229 162 1 . 1 1 680 680 CYS CB C 680 31.346 31.346 27.871 3.475 19229 163 1 . 1 1 680 680 CYS H H 680 8.230 8.230 7.642 0.588 19229 164 1 . 1 1 681 681 HIS N N 681 113.392 113.392 117.825 -4.433 19229 165 1 . 1 1 681 681 HIS HA H 681 4.204 4.204 3.958 0.246 19229 166 1 . 1 1 681 681 HIS C C 681 173.478 173.478 173.019 0.459 19229 167 1 . 1 1 681 681 HIS CA C 681 56.990 56.990 56.599 0.391 19229 168 1 . 1 1 681 681 HIS CB C 681 26.556 26.556 27.044 -0.488 19229 169 1 . 1 1 681 681 HIS H H 681 7.149 7.149 8.084 -0.935 19229 170 1 . 1 1 682 682 LEU N N 682 124.066 124.066 121.158 2.908 19229 171 1 . 1 1 682 682 LEU HA H 682 4.295 4.295 4.326 -0.031 19229 172 1 . 1 1 682 682 LEU C C 682 176.670 176.670 174.925 1.745 19229 173 1 . 1 1 682 682 LEU CA C 682 56.227 56.227 53.075 3.152 19229 174 1 . 1 1 682 682 LEU CB C 682 44.035 44.035 43.101 0.934 19229 175 1 . 1 1 682 682 LEU H H 682 8.172 8.172 7.356 0.816 19229 176 1 . 1 1 683 683 TRP N N 683 124.208 124.208 126.056 -1.848 19229 177 1 . 1 1 683 683 TRP HA H 683 5.091 5.091 4.753 0.338 19229 178 1 . 1 1 683 683 TRP C C 683 174.133 174.133 175.196 -1.063 19229 179 1 . 1 1 683 683 TRP CA C 683 56.723 56.723 55.796 0.927 19229 180 1 . 1 1 683 683 TRP CB C 683 31.814 31.814 30.273 1.541 19229 181 1 . 1 1 683 683 TRP H H 683 8.666 8.666 8.322 0.344 19229 182 1 . 1 1 684 684 GLN N N 684 114.943 114.943 119.825 -4.882 19229 183 1 . 1 1 684 684 GLN HA H 684 3.965 3.965 4.695 -0.730 19229 184 1 . 1 1 684 684 GLN C C 684 176.002 176.002 174.575 1.427 19229 185 1 . 1 1 684 684 GLN CA C 684 54.595 54.595 54.254 0.341 19229 186 1 . 1 1 684 684 GLN CB C 684 32.755 32.755 33.729 -0.974 19229 187 1 . 1 1 684 684 GLN H H 684 8.655 8.655 8.615 0.040 19229 188 1 . 1 1 685 685 HIS N N 685 121.485 121.485 119.411 2.074 19229 189 1 . 1 1 685 685 HIS HA H 685 5.011 5.011 4.729 0.282 19229 190 1 . 1 1 685 685 HIS C C 685 175.990 175.990 175.626 0.364 19229 191 1 . 1 1 685 685 HIS CA C 685 58.024 58.024 56.459 1.565 19229 192 1 . 1 1 685 685 HIS CB C 685 31.454 31.454 31.212 0.242 19229 193 1 . 1 1 685 685 HIS H H 685 9.487 9.487 8.248 1.239 19229 194 1 . 1 1 686 686 ALA N N 686 125.728 125.728 128.041 -2.313 19229 195 1 . 1 1 686 686 ALA HA H 686 3.702 3.702 4.146 -0.444 19229 196 1 . 1 1 686 686 ALA C C 686 179.000 179.000 179.164 -0.164 19229 197 1 . 1 1 686 686 ALA CA C 686 55.158 55.158 55.709 -0.551 19229 198 1 . 1 1 686 686 ALA CB C 686 17.858 17.858 18.996 -1.138 19229 199 1 . 1 1 686 686 ALA H H 686 8.436 8.436 8.673 -0.237 19229 200 1 . 1 1 687 687 LYS N N 687 116.216 116.216 117.048 -0.832 19229 201 1 . 1 1 687 687 LYS HA H 687 4.124 4.124 4.337 -0.212 19229 202 1 . 1 1 687 687 LYS C C 687 180.129 180.129 177.743 2.386 19229 203 1 . 1 1 687 687 LYS CA C 687 58.681 58.681 57.828 0.853 19229 204 1 . 1 1 687 687 LYS CB C 687 32.262 32.262 31.699 0.563 19229 205 1 . 1 1 687 687 LYS H H 687 9.407 9.407 8.293 1.114 19229 206 1 . 1 1 688 688 CYS N N 688 117.136 117.136 116.439 0.698 19229 207 1 . 1 1 688 688 CYS HA H 688 3.929 3.929 4.523 -0.594 19229 208 1 . 1 1 688 688 CYS C C 688 176.439 176.439 175.962 0.477 19229 209 1 . 1 1 688 688 CYS CA C 688 62.584 62.584 60.404 2.180 19229 210 1 . 1 1 688 688 CYS CB C 688 30.149 30.149 26.973 3.175 19229 211 1 . 1 1 688 688 CYS H H 688 6.702 6.702 8.075 -1.373 19229 212 1 . 1 1 689 689 VAL N N 689 106.705 106.705 115.498 -8.793 19229 213 1 . 1 1 689 689 VAL HA H 689 4.414 4.414 4.402 0.012 19229 214 1 . 1 1 689 689 VAL C C 689 175.007 175.007 175.084 -0.077 19229 215 1 . 1 1 689 689 VAL CA C 689 60.160 60.160 61.605 -1.445 19229 216 1 . 1 1 689 689 VAL CB C 689 30.924 30.924 32.546 -1.622 19229 217 1 . 1 1 689 689 VAL H H 689 6.932 6.932 7.406 -0.474 19229 218 1 . 1 1 690 690 ASN N N 690 117.807 117.807 116.747 1.060 19229 219 1 . 1 1 690 690 ASN HA H 690 4.266 4.266 4.404 -0.138 19229 220 1 . 1 1 690 690 ASN C C 690 173.405 173.405 174.011 -0.606 19229 221 1 . 1 1 690 690 ASN CA C 690 54.147 54.147 54.684 -0.537 19229 222 1 . 1 1 690 690 ASN CB C 690 37.094 37.094 37.012 0.082 19229 223 1 . 1 1 690 690 ASN H H 690 7.770 7.770 7.930 -0.160 19229 224 1 . 1 1 691 691 TYR N N 691 120.010 120.010 120.447 -0.437 19229 225 1 . 1 1 691 691 TYR HA H 691 4.440 4.440 4.624 -0.184 19229 226 1 . 1 1 691 691 TYR C C 691 174.073 174.073 173.254 0.819 19229 227 1 . 1 1 691 691 TYR CA C 691 57.695 57.695 58.052 -0.357 19229 228 1 . 1 1 691 691 TYR CB C 691 40.575 40.575 41.650 -1.075 19229 229 1 . 1 1 691 691 TYR H H 691 8.271 8.271 7.944 0.327 19229 230 1 . 1 1 692 692 ASP N N 692 126.612 126.612 119.232 7.380 19229 231 1 . 1 1 692 692 ASP HA H 692 4.365 4.365 4.813 -0.448 19229 232 1 . 1 1 692 692 ASP C C 692 175.663 175.663 175.453 0.210 19229 233 1 . 1 1 692 692 ASP CA C 692 52.834 52.834 52.543 0.291 19229 234 1 . 1 1 692 692 ASP CB C 692 41.374 41.374 43.809 -2.435 19229 235 1 . 1 1 692 692 ASP H H 692 7.799 7.799 7.686 0.113 19229 236 1 . 1 1 693 693 GLU N N 693 125.198 125.198 118.154 7.044 19229 237 1 . 1 1 693 693 GLU HA H 693 3.924 3.924 4.065 -0.141 19229 238 1 . 1 1 693 693 GLU C C 693 177.119 177.119 178.059 -0.940 19229 239 1 . 1 1 693 693 GLU CA C 693 58.188 58.188 58.819 -0.631 19229 240 1 . 1 1 693 693 GLU CB C 693 29.097 29.097 29.298 -0.201 19229 241 1 . 1 1 693 693 GLU H H 693 8.792 8.792 8.729 0.064 19229 242 1 . 1 1 694 694 LYS N N 694 120.048 120.048 119.498 0.550 19229 243 1 . 1 1 694 694 LYS HA H 694 4.070 4.070 4.004 0.066 19229 244 1 . 1 1 694 694 LYS C C 694 177.168 177.168 178.233 -1.065 19229 245 1 . 1 1 694 694 LYS CA C 694 57.554 57.554 58.867 -1.313 19229 246 1 . 1 1 694 694 LYS CB C 694 31.487 31.487 32.057 -0.570 19229 247 1 . 1 1 694 694 LYS H H 694 8.294 8.294 8.033 0.261 19229 248 1 . 1 1 695 695 ASN N N 695 117.271 117.271 115.545 1.726 19229 249 1 . 1 1 695 695 ASN HA H 695 4.610 4.610 4.647 -0.037 19229 250 1 . 1 1 695 695 ASN C C 695 175.517 175.517 176.466 -0.949 19229 251 1 . 1 1 695 695 ASN CA C 695 52.975 52.975 53.678 -0.703 19229 252 1 . 1 1 695 695 ASN CB C 695 38.673 38.673 38.992 -0.319 19229 253 1 . 1 1 695 695 ASN H H 695 7.809 7.809 7.984 -0.175 19229 254 1 . 1 1 696 696 LEU N N 696 122.015 122.015 122.359 -0.344 19229 255 1 . 1 1 696 696 LEU HA H 696 4.208 4.208 4.427 -0.219 19229 256 1 . 1 1 696 696 LEU C C 696 177.823 177.823 177.552 0.271 19229 257 1 . 1 1 696 696 LEU CA C 696 57.202 57.202 57.460 -0.258 19229 258 1 . 1 1 696 696 LEU CB C 696 42.125 42.125 42.145 -0.020 19229 259 1 . 1 1 696 696 LEU H H 696 7.764 7.764 7.403 0.361 19229 260 1 . 1 1 697 697 LYS N N 697 116.437 116.437 117.491 -1.054 19229 261 1 . 1 1 697 697 LYS HA H 697 4.137 4.137 4.167 -0.030 19229 262 1 . 1 1 697 697 LYS C C 697 176.536 176.536 177.124 -0.588 19229 263 1 . 1 1 697 697 LYS CA C 697 56.957 56.957 58.358 -1.400 19229 264 1 . 1 1 697 697 LYS CB C 697 32.051 32.051 32.290 -0.239 19229 265 1 . 1 1 697 697 LYS H H 697 8.277 8.277 7.668 0.609 19229 266 1 . 1 1 698 698 ILE N N 698 117.807 117.807 116.585 1.222 19229 267 1 . 1 1 698 698 ILE HA H 698 4.067 4.067 4.199 -0.132 19229 268 1 . 1 1 698 698 ILE C C 698 175.700 175.700 176.565 -0.865 19229 269 1 . 1 1 698 698 ILE CA C 698 61.827 61.827 61.716 0.111 19229 270 1 . 1 1 698 698 ILE CB C 698 39.166 39.166 39.250 -0.084 19229 271 1 . 1 1 698 698 ILE H H 698 7.650 7.650 7.377 0.273 19229 272 1 . 1 1 699 699 LYS N N 699 123.286 123.286 120.855 2.431 19229 273 1 . 1 1 699 699 LYS HA H 699 4.755 4.755 4.680 0.075 19229 274 1 . 1 1 699 699 LYS CA C 699 53.397 53.397 54.252 -0.855 19229 275 1 . 1 1 699 699 LYS CB C 699 33.601 33.601 32.298 1.303 19229 276 1 . 1 1 699 699 LYS H H 699 8.121 8.121 8.065 0.056 19229 277 1 . 1 1 700 700 PRO HA H 700 4.250 4.250 4.000 0.250 19229 278 1 . 1 1 700 700 PRO C C 700 175.213 175.213 175.545 -0.332 19229 279 1 . 1 1 700 700 PRO CA C 700 62.800 62.800 63.054 -0.254 19229 280 1 . 1 1 700 700 PRO CB C 700 32.722 32.722 31.875 0.847 19229 281 1 . 1 1 701 701 PHE N N 701 122.959 122.959 117.232 5.727 19229 282 1 . 1 1 701 701 PHE HA H 701 4.247 4.247 4.504 -0.257 19229 283 1 . 1 1 701 701 PHE C C 701 171.657 171.657 173.121 -1.464 19229 284 1 . 1 1 701 701 PHE CA C 701 58.140 58.140 55.916 2.224 19229 285 1 . 1 1 701 701 PHE CB C 701 39.448 39.448 41.067 -1.619 19229 286 1 . 1 1 701 701 PHE H H 701 8.042 8.042 7.139 0.903 19229 287 1 . 1 1 702 702 TYR N N 702 123.854 123.854 121.440 2.414 19229 288 1 . 1 1 702 702 TYR HA H 702 5.030 5.030 4.788 0.242 19229 289 1 . 1 1 702 702 TYR C C 702 173.915 173.915 175.405 -1.490 19229 290 1 . 1 1 702 702 TYR CA C 702 54.806 54.806 56.760 -1.954 19229 291 1 . 1 1 702 702 TYR CB C 702 41.069 41.069 42.020 -0.951 19229 292 1 . 1 1 702 702 TYR H H 702 6.754 6.754 7.876 -1.122 19229 293 1 . 1 1 703 703 CYS N N 703 124.963 124.963 120.040 4.923 19229 294 1 . 1 1 703 703 CYS HA H 703 4.253 4.253 4.849 -0.596 19229 295 1 . 1 1 703 703 CYS CA C 703 57.300 57.300 55.997 1.303 19229 296 1 . 1 1 703 703 CYS CB C 703 28.951 28.951 27.705 1.246 19229 297 1 . 1 1 703 703 CYS H H 703 9.298 9.298 8.513 0.785 19229 298 1 . 1 1 704 704 PRO HA H 704 4.047 4.047 4.184 -0.137 19229 299 1 . 1 1 704 704 PRO C C 704 178.818 178.818 178.042 0.776 19229 300 1 . 1 1 704 704 PRO CA C 704 65.651 65.651 65.486 0.165 19229 301 1 . 1 1 704 704 PRO CB C 704 31.991 31.991 31.669 0.322 19229 302 1 . 1 1 705 705 HIS N N 705 115.532 115.532 116.867 -1.335 19229 303 1 . 1 1 705 705 HIS HA H 705 4.282 4.282 4.339 -0.057 19229 304 1 . 1 1 705 705 HIS C C 705 177.689 177.689 177.164 0.525 19229 305 1 . 1 1 705 705 HIS CA C 705 58.646 58.646 59.719 -1.073 19229 306 1 . 1 1 705 705 HIS CB C 705 29.726 29.726 29.653 0.073 19229 307 1 . 1 1 705 705 HIS H H 705 7.843 7.843 8.507 -0.664 19229 308 1 . 1 1 706 706 CYS N N 706 124.314 124.314 118.202 6.112 19229 309 1 . 1 1 706 706 CYS HA H 706 3.771 3.771 4.176 -0.405 19229 310 1 . 1 1 706 706 CYS C C 706 177.204 177.204 177.022 0.182 19229 311 1 . 1 1 706 706 CYS CA C 706 64.247 64.247 63.061 1.186 19229 312 1 . 1 1 706 706 CYS CB C 706 29.443 29.443 26.174 3.269 19229 313 1 . 1 1 706 706 CYS H H 706 8.442 8.442 7.978 0.464 19229 314 1 . 1 1 707 707 LEU N N 707 119.208 119.208 120.852 -1.644 19229 315 1 . 1 1 707 707 LEU HA H 707 3.750 3.750 3.968 -0.218 19229 316 1 . 1 1 707 707 LEU C C 707 178.903 178.903 178.851 0.052 19229 317 1 . 1 1 707 707 LEU CA C 707 57.202 57.202 58.050 -0.848 19229 318 1 . 1 1 707 707 LEU CB C 707 41.983 41.983 41.527 0.456 19229 319 1 . 1 1 707 707 LEU H H 707 8.162 8.162 7.451 0.711 19229 320 1 . 1 1 708 708 VAL N N 708 116.959 116.959 117.764 -0.805 19229 321 1 . 1 1 708 708 VAL HA H 708 3.749 3.749 3.858 -0.109 19229 322 1 . 1 1 708 708 VAL C C 708 176.876 176.876 177.619 -0.743 19229 323 1 . 1 1 708 708 VAL CA C 708 64.077 64.077 65.103 -1.026 19229 324 1 . 1 1 708 708 VAL CB C 708 31.984 31.984 31.164 0.820 19229 325 1 . 1 1 708 708 VAL H H 708 7.161 7.161 7.851 -0.690 19229 326 1 . 1 1 709 709 ALA N N 709 122.758 122.758 121.816 0.942 19229 327 1 . 1 1 709 709 ALA HA H 709 4.113 4.113 4.068 0.045 19229 328 1 . 1 1 709 709 ALA C C 709 177.859 177.859 178.613 -0.754 19229 329 1 . 1 1 709 709 ALA CA C 709 52.693 52.693 54.228 -1.535 19229 330 1 . 1 1 709 709 ALA CB C 709 18.736 18.736 18.934 -0.198 19229 331 1 . 1 1 709 709 ALA H H 709 7.408 7.408 7.557 -0.149 19229 332 1 . 1 1 710 710 MET N N 710 117.242 117.242 116.477 0.765 19229 333 1 . 1 1 710 710 MET HA H 710 4.197 4.197 4.325 -0.128 19229 334 1 . 1 1 710 710 MET C C 710 175.832 175.832 176.668 -0.836 19229 335 1 . 1 1 710 710 MET CA C 710 55.557 55.557 56.824 -1.267 19229 336 1 . 1 1 710 710 MET CB C 710 33.440 33.440 33.263 0.177 19229 337 1 . 1 1 710 710 MET H H 710 7.586 7.586 7.565 0.021 19229 338 1 . 1 1 711 711 GLU N N 711 122.546 122.546 118.142 4.404 19229 339 1 . 1 1 711 711 GLU HA H 711 4.387 4.387 4.355 0.032 19229 340 1 . 1 1 711 711 GLU CA C 711 54.384 54.384 55.129 -0.746 19229 341 1 . 1 1 711 711 GLU CB C 711 29.444 29.444 29.113 0.331 19229 342 1 . 1 1 711 711 GLU H H 711 7.828 7.828 7.646 0.182 19229 343 1 . 1 1 712 712 PRO HA H 712 4.332 4.332 4.435 -0.103 19229 344 1 . 1 1 712 712 PRO C C 712 176.876 176.876 176.528 0.348 19229 345 1 . 1 1 712 712 PRO CA C 712 62.994 62.994 62.945 0.050 19229 346 1 . 1 1 712 712 PRO CB C 712 31.922 31.922 32.044 -0.122 19229 347 1 . 1 1 713 713 VAL N N 713 120.328 120.328 119.517 0.811 19229 348 1 . 1 1 713 713 VAL HA H 713 3.993 3.993 4.178 -0.185 19229 349 1 . 1 1 713 713 VAL C C 713 176.257 176.257 176.149 0.108 19229 350 1 . 1 1 713 713 VAL CA C 713 62.133 62.133 62.176 -0.043 19229 351 1 . 1 1 713 713 VAL CB C 713 32.615 32.615 32.094 0.521 19229 352 1 . 1 1 713 713 VAL H H 713 8.157 8.157 8.092 0.065 19229 353 1 . 1 1 714 714 SER N N 714 119.503 119.503 119.879 -0.376 19229 354 1 . 1 1 714 714 SER HA H 714 4.440 4.440 4.547 -0.107 19229 355 1 . 1 1 714 714 SER C C 714 174.619 174.619 174.129 0.490 19229 356 1 . 1 1 714 714 SER CA C 714 57.976 57.976 58.280 -0.304 19229 357 1 . 1 1 714 714 SER CB C 714 63.816 63.816 63.395 0.421 19229 358 1 . 1 1 714 714 SER H H 714 8.368 8.368 8.357 0.010 19229 359 1 . 1 1 715 715 THR N N 715 116.281 116.281 120.228 -3.947 19229 360 1 . 1 1 715 715 THR HA H 715 4.261 4.261 4.474 -0.213 19229 361 1 . 1 1 715 715 THR C C 715 173.559 173.559 174.100 -0.541 19229 362 1 . 1 1 715 715 THR CA C 715 61.499 61.499 62.177 -0.678 19229 363 1 . 1 1 715 715 THR CB C 715 69.476 69.476 69.754 -0.277 19229 364 1 . 1 1 715 715 THR H H 715 8.141 8.141 8.228 -0.087 19229 stop_ save_