data_17930 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17930 _Entry.PDB_ID 2LJD 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 17930 _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 2 2 LEU N N 717 119.998 119.998 123.018 -3.020 17930 2 1 1 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.190 -0.060 17930 3 1 1 . 1 1 2 2 LEU C C 717 177.845 177.845 177.872 -0.027 17930 4 1 1 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.295 -0.621 17930 5 1 1 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.172 0.752 17930 6 1 1 . 1 1 2 2 LEU H H 717 7.838 7.838 8.027 -0.189 17930 7 1 1 . 1 1 3 3 LEU N N 718 118.244 118.244 116.361 1.883 17930 8 1 1 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.081 -0.024 17930 9 1 1 . 1 1 3 3 LEU C C 718 177.838 177.838 178.339 -0.501 17930 10 1 1 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.232 -0.289 17930 11 1 1 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.487 0.319 17930 12 1 1 . 1 1 3 3 LEU H H 718 7.727 7.727 7.959 -0.232 17930 13 1 1 . 1 1 4 4 ILE N N 719 116.296 116.296 115.849 0.447 17930 14 1 1 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.280 -0.369 17930 15 1 1 . 1 1 4 4 ILE C C 719 176.887 176.887 178.040 -1.153 17930 16 1 1 . 1 1 4 4 ILE CA C 719 62.960 62.960 60.992 1.968 17930 17 1 1 . 1 1 4 4 ILE CB C 719 38.219 38.219 38.026 0.193 17930 18 1 1 . 1 1 4 4 ILE H H 719 7.738 7.738 7.638 0.100 17930 19 1 1 . 1 1 5 5 THR N N 720 114.599 114.599 117.283 -2.684 17930 20 1 1 . 1 1 5 5 THR HA H 720 4.161 4.161 4.197 -0.036 17930 21 1 1 . 1 1 5 5 THR C C 720 175.578 175.578 176.397 -0.819 17930 22 1 1 . 1 1 5 5 THR CA C 720 64.390 64.390 65.510 -1.120 17930 23 1 1 . 1 1 5 5 THR CB C 720 69.027 69.027 68.617 0.410 17930 24 1 1 . 1 1 5 5 THR H H 720 7.803 7.803 8.107 -0.304 17930 25 1 1 . 1 1 6 6 ILE N N 721 119.767 119.767 121.384 -1.617 17930 26 1 1 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.619 0.290 17930 27 1 1 . 1 1 6 6 ILE C C 721 176.119 176.119 177.177 -1.058 17930 28 1 1 . 1 1 6 6 ILE CA C 721 63.025 63.025 65.884 -2.859 17930 29 1 1 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.542 0.592 17930 30 1 1 . 1 1 6 6 ILE H H 721 7.786 7.786 7.577 0.209 17930 31 1 1 . 1 1 7 7 HIS N N 722 118.437 118.437 118.750 -0.313 17930 32 1 1 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.276 0.339 17930 33 1 1 . 1 1 7 7 HIS CA C 722 57.344 57.344 59.722 -2.378 17930 34 1 1 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.097 -0.722 17930 35 1 1 . 1 1 7 7 HIS H H 722 8.134 8.134 7.707 0.427 17930 36 1 1 . 1 1 8 8 ASP N N 723 118.080 118.080 118.731 -0.651 17930 37 1 1 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.602 -0.008 17930 38 1 1 . 1 1 8 8 ASP C C 723 176.711 176.711 178.246 -1.535 17930 39 1 1 . 1 1 8 8 ASP CA C 723 54.176 54.176 57.008 -2.832 17930 40 1 1 . 1 1 8 8 ASP CB C 723 41.480 41.480 40.925 0.555 17930 41 1 1 . 1 1 8 8 ASP H H 723 8.025 8.025 7.692 0.333 17930 42 1 1 . 1 1 9 9 ARG N N 724 120.693 120.693 121.458 -0.765 17930 43 1 1 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.041 0.163 17930 44 1 1 . 1 1 9 9 ARG C C 724 177.662 177.662 178.172 -0.510 17930 45 1 1 . 1 1 9 9 ARG CA C 724 56.819 56.819 59.829 -3.010 17930 46 1 1 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.265 2.438 17930 47 1 1 . 1 1 9 9 ARG H H 724 8.219 8.219 8.343 -0.124 17930 48 1 1 . 1 1 10 10 LYS N N 725 121.792 121.792 116.476 5.316 17930 49 1 1 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.248 -0.108 17930 50 1 1 . 1 1 10 10 LYS C C 725 178.127 178.127 178.764 -0.637 17930 51 1 1 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.591 -0.954 17930 52 1 1 . 1 1 10 10 LYS CB C 725 32.190 32.190 32.233 -0.042 17930 53 1 1 . 1 1 10 10 LYS H H 725 8.493 8.493 7.654 0.839 17930 54 1 1 . 1 1 11 11 GLU N N 726 119.285 119.285 118.992 0.293 17930 55 1 1 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.201 -0.105 17930 56 1 1 . 1 1 11 11 GLU C C 726 177.688 177.688 178.147 -0.459 17930 57 1 1 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.864 -0.458 17930 58 1 1 . 1 1 11 11 GLU CB C 726 29.340 29.340 29.747 -0.407 17930 59 1 1 . 1 1 11 11 GLU H H 726 8.716 8.716 7.554 1.162 17930 60 1 1 . 1 1 12 12 PHE N N 727 118.784 118.784 119.083 -0.299 17930 61 1 1 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.387 -0.009 17930 62 1 1 . 1 1 12 12 PHE C C 727 176.358 176.358 177.223 -0.865 17930 63 1 1 . 1 1 12 12 PHE CA C 727 59.332 59.332 59.953 -0.621 17930 64 1 1 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.922 -0.762 17930 65 1 1 . 1 1 12 12 PHE H H 727 7.906 7.906 8.126 -0.220 17930 66 1 1 . 1 1 13 13 ALA N N 728 122.197 122.197 122.577 -0.380 17930 67 1 1 . 1 1 13 13 ALA HA H 728 4.158 4.158 3.598 0.560 17930 68 1 1 . 1 1 13 13 ALA C C 728 178.513 178.513 179.011 -0.498 17930 69 1 1 . 1 1 13 13 ALA CA C 728 54.083 54.083 55.049 -0.966 17930 70 1 1 . 1 1 13 13 ALA CB C 728 18.496 18.496 17.790 0.706 17930 71 1 1 . 1 1 13 13 ALA H H 728 7.951 7.951 8.580 -0.629 17930 72 1 1 . 1 1 14 14 LYS N N 729 117.742 117.742 119.666 -1.924 17930 73 1 1 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.225 -0.129 17930 74 1 1 . 1 1 14 14 LYS C C 729 177.562 177.562 178.844 -1.282 17930 75 1 1 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.295 -1.365 17930 76 1 1 . 1 1 14 14 LYS CB C 729 30.515 30.515 31.792 -1.277 17930 77 1 1 . 1 1 14 14 LYS H H 729 7.814 7.814 7.805 0.009 17930 78 1 1 . 1 1 15 15 PHE N N 730 119.960 119.960 117.695 2.265 17930 79 1 1 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.419 -0.040 17930 80 1 1 . 1 1 15 15 PHE C C 730 176.706 176.706 178.462 -1.756 17930 81 1 1 . 1 1 15 15 PHE CA C 730 59.753 59.753 60.914 -1.161 17930 82 1 1 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.198 -0.188 17930 83 1 1 . 1 1 15 15 PHE H H 730 7.900 7.900 8.437 -0.537 17930 84 1 1 . 1 1 16 16 GLU N N 731 119.516 119.516 119.067 0.449 17930 85 1 1 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.913 0.152 17930 86 1 1 . 1 1 16 16 GLU C C 731 177.892 177.892 178.618 -0.726 17930 87 1 1 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.301 -1.476 17930 88 1 1 . 1 1 16 16 GLU CB C 731 29.349 29.349 28.809 0.540 17930 89 1 1 . 1 1 16 16 GLU H H 731 8.174 8.174 7.701 0.473 17930 90 1 1 . 1 1 17 17 GLU N N 732 120.577 120.577 119.648 0.929 17930 91 1 1 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.944 0.106 17930 92 1 1 . 1 1 17 17 GLU C C 732 178.077 178.077 178.991 -0.914 17930 93 1 1 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.203 -0.896 17930 94 1 1 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.359 0.029 17930 95 1 1 . 1 1 17 17 GLU H H 732 8.145 8.145 8.675 -0.530 17930 96 1 1 . 1 1 18 18 GLU N N 733 119.573 119.573 119.490 0.083 17930 97 1 1 . 1 1 18 18 GLU HA H 733 4.056 4.056 3.994 0.062 17930 98 1 1 . 1 1 18 18 GLU C C 733 177.346 177.346 178.592 -1.246 17930 99 1 1 . 1 1 18 18 GLU CA C 733 58.298 58.298 59.200 -0.902 17930 100 1 1 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.268 0.179 17930 101 1 1 . 1 1 18 18 GLU H H 733 8.152 8.152 7.654 0.497 17930 102 1 1 . 1 1 19 19 ARG N N 734 118.803 118.803 116.960 1.843 17930 103 1 1 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.311 -0.279 17930 104 1 1 . 1 1 19 19 ARG C C 734 177.328 177.328 178.027 -0.699 17930 105 1 1 . 1 1 19 19 ARG CA C 734 58.397 58.397 56.906 1.491 17930 106 1 1 . 1 1 19 19 ARG CB C 734 32.170 32.170 29.976 2.194 17930 107 1 1 . 1 1 19 19 ARG H H 734 8.008 8.008 7.665 0.343 17930 108 1 1 . 1 1 20 20 ALA N N 735 121.734 121.734 122.364 -0.630 17930 109 1 1 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.210 -0.075 17930 110 1 1 . 1 1 20 20 ALA C C 735 178.936 178.936 179.376 -0.440 17930 111 1 1 . 1 1 20 20 ALA CA C 735 53.546 53.546 54.985 -1.439 17930 112 1 1 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.640 0.007 17930 113 1 1 . 1 1 20 20 ALA H H 735 7.877 7.877 8.626 -0.749 17930 114 1 1 . 1 1 21 21 ARG N N 736 118.070 118.070 118.563 -0.493 17930 115 1 1 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.139 -0.029 17930 116 1 1 . 1 1 21 21 ARG C C 736 176.675 176.675 177.917 -1.242 17930 117 1 1 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.228 -1.491 17930 118 1 1 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.375 0.198 17930 119 1 1 . 1 1 21 21 ARG H H 736 7.854 7.854 8.386 -0.532 17930 120 1 1 . 1 1 22 22 ALA N N 737 122.582 122.582 119.035 3.547 17930 121 1 1 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.199 -0.048 17930 122 1 1 . 1 1 22 22 ALA C C 737 177.676 177.676 177.850 -0.174 17930 123 1 1 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.099 -1.373 17930 124 1 1 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.669 0.122 17930 125 1 1 . 1 1 22 22 ALA H H 737 7.809 7.809 8.009 -0.200 17930 126 1 1 . 1 1 23 23 LYS N N 738 118.494 118.494 114.889 3.605 17930 127 1 1 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.304 -0.145 17930 128 1 1 . 1 1 23 23 LYS C C 738 176.523 176.523 176.398 0.125 17930 129 1 1 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.811 -0.343 17930 130 1 1 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.584 -2.958 17930 131 1 1 . 1 1 23 23 LYS H H 738 7.854 7.854 7.560 0.294 17930 132 1 1 . 1 1 24 24 TRP N N 739 120.538 120.538 120.875 -0.337 17930 133 1 1 . 1 1 24 24 TRP HA H 739 4.599 4.599 4.958 -0.359 17930 134 1 1 . 1 1 24 24 TRP C C 739 175.937 175.937 175.331 0.606 17930 135 1 1 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.302 0.630 17930 136 1 1 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.517 0.005 17930 137 1 1 . 1 1 24 24 TRP H H 739 7.967 7.967 8.782 -0.815 17930 138 1 1 . 1 1 25 25 ASP N N 740 121.078 121.078 122.076 -0.998 17930 139 1 1 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.252 -0.099 17930 140 1 1 . 1 1 25 25 ASP C C 740 176.659 176.659 177.439 -0.780 17930 141 1 1 . 1 1 25 25 ASP CA C 740 54.127 54.127 58.536 -4.409 17930 142 1 1 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.903 0.123 17930 143 1 1 . 1 1 25 25 ASP H H 740 8.219 8.219 8.333 -0.114 17930 144 1 1 . 1 1 26 26 THR N N 741 113.655 113.655 112.253 1.402 17930 145 1 1 . 1 1 26 26 THR HA H 741 4.221 4.221 4.396 -0.175 17930 146 1 1 . 1 1 26 26 THR C C 741 174.807 174.807 174.944 -0.137 17930 147 1 1 . 1 1 26 26 THR CA C 741 62.439 62.439 63.710 -1.271 17930 148 1 1 . 1 1 26 26 THR CB C 741 69.255 69.255 68.889 0.366 17930 149 1 1 . 1 1 26 26 THR H H 741 7.946 7.946 8.266 -0.320 17930 150 1 1 . 1 1 27 27 ALA N N 742 124.530 124.530 123.084 1.446 17930 151 1 1 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.443 -0.250 17930 152 1 1 . 1 1 27 27 ALA C C 742 177.516 177.516 179.194 -1.678 17930 153 1 1 . 1 1 27 27 ALA CA C 742 52.937 52.937 54.132 -1.195 17930 154 1 1 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.245 -0.271 17930 155 1 1 . 1 1 27 27 ALA H H 742 8.116 8.116 7.626 0.490 17930 156 1 1 . 1 1 28 28 ASN N N 743 116.065 116.065 115.929 0.136 17930 157 1 1 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.728 -0.129 17930 158 1 1 . 1 1 28 28 ASN C C 743 174.308 174.308 175.408 -1.100 17930 159 1 1 . 1 1 28 28 ASN CA C 743 52.868 52.868 54.246 -1.378 17930 160 1 1 . 1 1 28 28 ASN CB C 743 39.097 39.097 39.866 -0.769 17930 161 1 1 . 1 1 28 28 ASN H H 743 8.048 8.048 8.675 -0.627 17930 162 1 1 . 1 1 29 29 ASN N N 744 119.536 119.536 117.755 1.781 17930 163 1 1 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.201 -0.593 17930 164 1 1 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.903 0.037 17930 165 1 1 . 1 1 29 29 ASN CB C 744 38.799 38.799 40.548 -1.749 17930 166 1 1 . 1 1 29 29 ASN H H 744 8.031 8.031 7.853 0.178 17930 167 1 1 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.505 -0.133 17930 168 1 1 . 1 1 30 30 PRO C C 745 177.161 177.161 175.894 1.267 17930 169 1 1 . 1 1 30 30 PRO CA C 745 63.583 63.583 63.442 0.141 17930 170 1 1 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.380 -0.439 17930 171 1 1 . 1 1 34 34 GLU N N 749 121.102 121.102 119.683 1.419 17930 172 1 1 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.174 0.032 17930 173 1 1 . 1 1 34 34 GLU C C 749 176.842 176.842 177.905 -1.063 17930 174 1 1 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.505 -1.807 17930 175 1 1 . 1 1 34 34 GLU CB C 749 29.905 29.905 29.898 0.007 17930 176 1 1 . 1 1 34 34 GLU H H 749 8.216 8.216 8.775 -0.559 17930 177 1 1 . 1 1 35 35 ALA N N 750 124.433 124.433 121.554 2.879 17930 178 1 1 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.044 0.231 17930 179 1 1 . 1 1 35 35 ALA C C 750 178.080 178.080 179.282 -1.202 17930 180 1 1 . 1 1 35 35 ALA CA C 750 53.212 53.212 53.978 -0.766 17930 181 1 1 . 1 1 35 35 ALA CB C 750 19.060 19.060 18.225 0.835 17930 182 1 1 . 1 1 35 35 ALA H H 750 8.339 8.339 8.220 0.119 17930 183 1 1 . 1 1 36 36 THR N N 751 111.881 111.881 114.213 -2.332 17930 184 1 1 . 1 1 36 36 THR HA H 751 4.225 4.225 4.083 0.142 17930 185 1 1 . 1 1 36 36 THR C C 751 175.174 175.174 175.669 -0.495 17930 186 1 1 . 1 1 36 36 THR CA C 751 62.508 62.508 66.245 -3.736 17930 187 1 1 . 1 1 36 36 THR CB C 751 69.600 69.600 68.264 1.336 17930 188 1 1 . 1 1 36 36 THR H H 751 8.008 8.008 8.379 -0.371 17930 189 1 1 . 1 1 37 37 SER N N 752 117.588 117.588 115.041 2.547 17930 190 1 1 . 1 1 37 37 SER HA H 752 4.567 4.567 4.437 0.130 17930 191 1 1 . 1 1 37 37 SER C C 752 174.988 174.988 175.537 -0.549 17930 192 1 1 . 1 1 37 37 SER CA C 752 58.856 58.856 60.878 -2.022 17930 193 1 1 . 1 1 37 37 SER CB C 752 63.705 63.705 63.421 0.284 17930 194 1 1 . 1 1 37 37 SER H H 752 8.168 8.168 7.783 0.385 17930 195 1 1 . 1 1 38 38 THR N N 753 116.798 116.798 116.145 0.653 17930 196 1 1 . 1 1 38 38 THR HA H 753 4.126 4.126 4.212 -0.086 17930 197 1 1 . 1 1 38 38 THR C C 753 174.719 174.719 174.827 -0.108 17930 198 1 1 . 1 1 38 38 THR CA C 753 62.889 62.889 64.033 -1.144 17930 199 1 1 . 1 1 38 38 THR CB C 753 69.276 69.276 69.383 -0.107 17930 200 1 1 . 1 1 38 38 THR H H 753 8.105 8.105 7.535 0.570 17930 201 1 1 . 1 1 39 39 PHE N N 754 120.288 120.288 118.588 1.700 17930 202 1 1 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.809 -0.242 17930 203 1 1 . 1 1 39 39 PHE C C 754 175.953 175.953 175.342 0.611 17930 204 1 1 . 1 1 39 39 PHE CA C 754 58.289 58.289 55.915 2.374 17930 205 1 1 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.440 -1.228 17930 206 1 1 . 1 1 39 39 PHE H H 754 8.213 8.213 7.789 0.424 17930 207 1 1 . 1 1 40 40 THR N N 755 113.153 113.153 110.631 2.522 17930 208 1 1 . 1 1 40 40 THR HA H 755 4.159 4.159 4.343 -0.184 17930 209 1 1 . 1 1 40 40 THR C C 755 174.225 174.225 174.363 -0.138 17930 210 1 1 . 1 1 40 40 THR CA C 755 62.446 62.446 62.857 -0.411 17930 211 1 1 . 1 1 40 40 THR CB C 755 69.403 69.403 70.080 -0.677 17930 212 1 1 . 1 1 40 40 THR H H 755 7.871 7.871 8.286 -0.415 17930 213 1 1 . 1 1 41 41 ASN N N 756 119.863 119.863 120.249 -0.386 17930 214 1 1 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.926 -0.327 17930 215 1 1 . 1 1 41 41 ASN C C 756 175.231 175.231 173.538 1.693 17930 216 1 1 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.359 0.266 17930 217 1 1 . 1 1 41 41 ASN CB C 756 38.852 38.852 39.505 -0.653 17930 218 1 1 . 1 1 41 41 ASN H H 756 8.213 8.213 8.150 0.063 17930 219 1 1 . 1 1 42 42 ILE N N 757 119.671 119.671 123.747 -4.076 17930 220 1 1 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.446 -0.313 17930 221 1 1 . 1 1 42 42 ILE C C 757 175.709 175.709 175.953 -0.244 17930 222 1 1 . 1 1 42 42 ILE CA C 757 61.607 61.607 59.841 1.766 17930 223 1 1 . 1 1 42 42 ILE CB C 757 38.445 38.445 40.138 -1.693 17930 224 1 1 . 1 1 42 42 ILE H H 757 7.860 7.860 7.928 -0.068 17930 225 1 1 . 1 1 43 43 THR N N 758 115.737 115.737 115.948 -0.211 17930 226 1 1 . 1 1 43 43 THR HA H 758 4.276 4.276 4.253 0.023 17930 227 1 1 . 1 1 43 43 THR C C 758 173.978 173.978 175.467 -1.489 17930 228 1 1 . 1 1 43 43 THR CA C 758 61.620 61.620 64.218 -2.598 17930 229 1 1 . 1 1 43 43 THR CB C 758 69.640 69.640 69.215 0.425 17930 230 1 1 . 1 1 43 43 THR H H 758 7.929 7.929 8.197 -0.268 17930 231 1 1 . 1 1 44 44 TYR N N 759 122.351 122.351 120.176 2.175 17930 232 1 1 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.542 0.025 17930 233 1 1 . 1 1 44 44 TYR C C 759 175.349 175.349 175.913 -0.564 17930 234 1 1 . 1 1 44 44 TYR CA C 759 57.894 57.894 59.250 -1.356 17930 235 1 1 . 1 1 44 44 TYR CB C 759 38.782 38.782 38.826 -0.044 17930 236 1 1 . 1 1 44 44 TYR H H 759 8.048 8.048 7.903 0.145 17930 237 1 1 . 1 1 45 45 ARG N N 760 122.717 122.717 117.242 5.475 17930 238 1 1 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.079 0.187 17930 239 1 1 . 1 1 45 45 ARG C C 760 176.141 176.141 175.080 1.061 17930 240 1 1 . 1 1 45 45 ARG CA C 760 55.718 55.718 57.484 -1.766 17930 241 1 1 . 1 1 45 45 ARG CB C 760 30.828 30.828 29.629 1.199 17930 242 1 1 . 1 1 45 45 ARG H H 760 8.111 8.111 8.362 -0.251 17930 243 1 1 . 1 1 46 46 GLY N N 761 109.046 109.046 102.591 6.455 17930 244 1 1 . 1 1 46 46 GLY C C 761 173.235 173.235 173.592 -0.357 17930 245 1 1 . 1 1 46 46 GLY CA C 761 45.272 45.272 45.069 0.203 17930 246 1 1 . 1 1 46 46 GLY H H 761 7.786 7.786 8.119 -0.333 17930 247 1 2 . 1 1 2 2 LEU N N 717 119.998 119.998 121.631 -1.633 17930 248 1 2 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.397 -0.267 17930 249 1 2 . 1 1 2 2 LEU C C 717 177.845 177.845 177.546 0.299 17930 250 1 2 . 1 1 2 2 LEU CA C 717 56.674 56.674 56.961 -0.287 17930 251 1 2 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.733 0.191 17930 252 1 2 . 1 1 2 2 LEU H H 717 7.838 7.838 7.863 -0.025 17930 253 1 2 . 1 1 3 3 LEU N N 718 118.244 118.244 118.897 -0.653 17930 254 1 2 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.088 -0.031 17930 255 1 2 . 1 1 3 3 LEU C C 718 177.838 177.838 178.602 -0.764 17930 256 1 2 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.840 -0.897 17930 257 1 2 . 1 1 3 3 LEU CB C 718 41.806 41.806 40.983 0.823 17930 258 1 2 . 1 1 3 3 LEU H H 718 7.727 7.727 7.880 -0.153 17930 259 1 2 . 1 1 4 4 ILE N N 719 116.296 116.296 116.050 0.246 17930 260 1 2 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.057 -0.146 17930 261 1 2 . 1 1 4 4 ILE C C 719 176.887 176.887 178.641 -1.754 17930 262 1 2 . 1 1 4 4 ILE CA C 719 62.960 62.960 62.809 0.151 17930 263 1 2 . 1 1 4 4 ILE CB C 719 38.219 38.219 37.000 1.219 17930 264 1 2 . 1 1 4 4 ILE H H 719 7.738 7.738 7.724 0.014 17930 265 1 2 . 1 1 5 5 THR N N 720 114.599 114.599 117.507 -2.908 17930 266 1 2 . 1 1 5 5 THR HA H 720 4.161 4.161 4.369 -0.208 17930 267 1 2 . 1 1 5 5 THR C C 720 175.578 175.578 176.537 -0.959 17930 268 1 2 . 1 1 5 5 THR CA C 720 64.390 64.390 65.404 -1.014 17930 269 1 2 . 1 1 5 5 THR CB C 720 69.027 69.027 68.311 0.716 17930 270 1 2 . 1 1 5 5 THR H H 720 7.803 7.803 7.612 0.191 17930 271 1 2 . 1 1 6 6 ILE N N 721 119.767 119.767 120.666 -0.899 17930 272 1 2 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.625 0.284 17930 273 1 2 . 1 1 6 6 ILE C C 721 176.119 176.119 177.274 -1.155 17930 274 1 2 . 1 1 6 6 ILE CA C 721 63.025 63.025 65.019 -1.994 17930 275 1 2 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.689 0.445 17930 276 1 2 . 1 1 6 6 ILE H H 721 7.786 7.786 7.525 0.261 17930 277 1 2 . 1 1 7 7 HIS N N 722 118.437 118.437 118.525 -0.088 17930 278 1 2 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.280 0.335 17930 279 1 2 . 1 1 7 7 HIS CA C 722 57.344 57.344 59.937 -2.593 17930 280 1 2 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.270 -0.895 17930 281 1 2 . 1 1 7 7 HIS H H 722 8.134 8.134 7.697 0.437 17930 282 1 2 . 1 1 8 8 ASP N N 723 118.080 118.080 119.298 -1.218 17930 283 1 2 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.550 0.044 17930 284 1 2 . 1 1 8 8 ASP C C 723 176.711 176.711 178.402 -1.691 17930 285 1 2 . 1 1 8 8 ASP CA C 723 54.176 54.176 57.413 -3.237 17930 286 1 2 . 1 1 8 8 ASP CB C 723 41.480 41.480 40.668 0.812 17930 287 1 2 . 1 1 8 8 ASP H H 723 8.025 8.025 7.676 0.349 17930 288 1 2 . 1 1 9 9 ARG N N 724 120.693 120.693 117.983 2.710 17930 289 1 2 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.167 0.037 17930 290 1 2 . 1 1 9 9 ARG C C 724 177.662 177.662 177.568 0.094 17930 291 1 2 . 1 1 9 9 ARG CA C 724 56.819 56.819 58.701 -1.882 17930 292 1 2 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.130 2.573 17930 293 1 2 . 1 1 9 9 ARG H H 724 8.219 8.219 7.911 0.308 17930 294 1 2 . 1 1 10 10 LYS N N 725 121.792 121.792 118.671 3.121 17930 295 1 2 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.259 -0.119 17930 296 1 2 . 1 1 10 10 LYS C C 725 178.127 178.127 178.229 -0.102 17930 297 1 2 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.230 -0.593 17930 298 1 2 . 1 1 10 10 LYS CB C 725 32.190 32.190 33.016 -0.826 17930 299 1 2 . 1 1 10 10 LYS H H 725 8.493 8.493 7.532 0.961 17930 300 1 2 . 1 1 11 11 GLU N N 726 119.285 119.285 119.636 -0.351 17930 301 1 2 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.144 -0.048 17930 302 1 2 . 1 1 11 11 GLU C C 726 177.688 177.688 179.122 -1.434 17930 303 1 2 . 1 1 11 11 GLU CA C 726 58.406 58.406 59.229 -0.823 17930 304 1 2 . 1 1 11 11 GLU CB C 726 29.340 29.340 29.473 -0.133 17930 305 1 2 . 1 1 11 11 GLU H H 726 8.716 8.716 7.651 1.065 17930 306 1 2 . 1 1 12 12 PHE N N 727 118.784 118.784 120.419 -1.635 17930 307 1 2 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.297 0.081 17930 308 1 2 . 1 1 12 12 PHE C C 727 176.358 176.358 177.104 -0.746 17930 309 1 2 . 1 1 12 12 PHE CA C 727 59.332 59.332 60.770 -1.438 17930 310 1 2 . 1 1 12 12 PHE CB C 727 39.160 39.160 38.976 0.184 17930 311 1 2 . 1 1 12 12 PHE H H 727 7.906 7.906 7.857 0.049 17930 312 1 2 . 1 1 13 13 ALA N N 728 122.197 122.197 122.037 0.160 17930 313 1 2 . 1 1 13 13 ALA HA H 728 4.158 4.158 4.069 0.089 17930 314 1 2 . 1 1 13 13 ALA C C 728 178.513 178.513 179.129 -0.616 17930 315 1 2 . 1 1 13 13 ALA CA C 728 54.083 54.083 54.927 -0.844 17930 316 1 2 . 1 1 13 13 ALA CB C 728 18.496 18.496 18.060 0.436 17930 317 1 2 . 1 1 13 13 ALA H H 728 7.951 7.951 8.328 -0.377 17930 318 1 2 . 1 1 14 14 LYS N N 729 117.742 117.742 119.440 -1.698 17930 319 1 2 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.192 -0.096 17930 320 1 2 . 1 1 14 14 LYS C C 729 177.562 177.562 178.781 -1.219 17930 321 1 2 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.478 -1.548 17930 322 1 2 . 1 1 14 14 LYS CB C 729 30.515 30.515 32.094 -1.579 17930 323 1 2 . 1 1 14 14 LYS H H 729 7.814 7.814 7.758 0.056 17930 324 1 2 . 1 1 15 15 PHE N N 730 119.960 119.960 119.798 0.162 17930 325 1 2 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.208 0.171 17930 326 1 2 . 1 1 15 15 PHE C C 730 176.706 176.706 177.534 -0.828 17930 327 1 2 . 1 1 15 15 PHE CA C 730 59.753 59.753 60.996 -1.243 17930 328 1 2 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.397 -0.387 17930 329 1 2 . 1 1 15 15 PHE H H 730 7.900 7.900 7.644 0.256 17930 330 1 2 . 1 1 16 16 GLU N N 731 119.516 119.516 119.395 0.121 17930 331 1 2 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.784 0.281 17930 332 1 2 . 1 1 16 16 GLU C C 731 177.892 177.892 178.183 -0.291 17930 333 1 2 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.345 -1.520 17930 334 1 2 . 1 1 16 16 GLU CB C 731 29.349 29.349 28.679 0.670 17930 335 1 2 . 1 1 16 16 GLU H H 731 8.174 8.174 8.593 -0.419 17930 336 1 2 . 1 1 17 17 GLU N N 732 120.577 120.577 119.880 0.697 17930 337 1 2 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.951 0.099 17930 338 1 2 . 1 1 17 17 GLU C C 732 178.077 178.077 179.101 -1.024 17930 339 1 2 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.127 -0.820 17930 340 1 2 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.354 0.034 17930 341 1 2 . 1 1 17 17 GLU H H 732 8.145 8.145 8.444 -0.299 17930 342 1 2 . 1 1 18 18 GLU N N 733 119.573 119.573 119.286 0.287 17930 343 1 2 . 1 1 18 18 GLU HA H 733 4.056 4.056 3.970 0.086 17930 344 1 2 . 1 1 18 18 GLU C C 733 177.346 177.346 178.248 -0.902 17930 345 1 2 . 1 1 18 18 GLU CA C 733 58.298 58.298 58.954 -0.656 17930 346 1 2 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.236 0.211 17930 347 1 2 . 1 1 18 18 GLU H H 733 8.152 8.152 7.508 0.644 17930 348 1 2 . 1 1 19 19 ARG N N 734 118.803 118.803 117.303 1.500 17930 349 1 2 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.272 -0.240 17930 350 1 2 . 1 1 19 19 ARG C C 734 177.328 177.328 177.984 -0.656 17930 351 1 2 . 1 1 19 19 ARG CA C 734 58.397 58.397 56.962 1.435 17930 352 1 2 . 1 1 19 19 ARG CB C 734 32.170 32.170 30.006 2.164 17930 353 1 2 . 1 1 19 19 ARG H H 734 8.008 8.008 7.546 0.462 17930 354 1 2 . 1 1 20 20 ALA N N 735 121.734 121.734 121.054 0.680 17930 355 1 2 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.283 -0.148 17930 356 1 2 . 1 1 20 20 ALA C C 735 178.936 178.936 179.216 -0.280 17930 357 1 2 . 1 1 20 20 ALA CA C 735 53.546 53.546 54.690 -1.143 17930 358 1 2 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.807 -0.160 17930 359 1 2 . 1 1 20 20 ALA H H 735 7.877 7.877 8.580 -0.703 17930 360 1 2 . 1 1 21 21 ARG N N 736 118.070 118.070 119.537 -1.467 17930 361 1 2 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.321 -0.211 17930 362 1 2 . 1 1 21 21 ARG C C 736 176.675 176.675 177.936 -1.261 17930 363 1 2 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.141 -1.404 17930 364 1 2 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.156 0.417 17930 365 1 2 . 1 1 21 21 ARG H H 736 7.854 7.854 8.021 -0.167 17930 366 1 2 . 1 1 22 22 ALA N N 737 122.582 122.582 121.257 1.325 17930 367 1 2 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.222 -0.071 17930 368 1 2 . 1 1 22 22 ALA C C 737 177.676 177.676 178.264 -0.588 17930 369 1 2 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.206 -1.480 17930 370 1 2 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.688 0.103 17930 371 1 2 . 1 1 22 22 ALA H H 737 7.809 7.809 8.068 -0.259 17930 372 1 2 . 1 1 23 23 LYS N N 738 118.494 118.494 114.316 4.178 17930 373 1 2 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.366 -0.207 17930 374 1 2 . 1 1 23 23 LYS C C 738 176.523 176.523 176.605 -0.082 17930 375 1 2 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.624 -0.156 17930 376 1 2 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.375 -2.749 17930 377 1 2 . 1 1 23 23 LYS H H 738 7.854 7.854 7.666 0.188 17930 378 1 2 . 1 1 24 24 TRP N N 739 120.538 120.538 121.283 -0.745 17930 379 1 2 . 1 1 24 24 TRP HA H 739 4.599 4.599 4.992 -0.393 17930 380 1 2 . 1 1 24 24 TRP C C 739 175.937 175.937 175.383 0.554 17930 381 1 2 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.079 0.853 17930 382 1 2 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.586 -0.064 17930 383 1 2 . 1 1 24 24 TRP H H 739 7.967 7.967 8.722 -0.755 17930 384 1 2 . 1 1 25 25 ASP N N 740 121.078 121.078 120.676 0.402 17930 385 1 2 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.357 -0.204 17930 386 1 2 . 1 1 25 25 ASP C C 740 176.659 176.659 177.592 -0.933 17930 387 1 2 . 1 1 25 25 ASP CA C 740 54.127 54.127 57.349 -3.222 17930 388 1 2 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.252 0.774 17930 389 1 2 . 1 1 25 25 ASP H H 740 8.219 8.219 8.256 -0.037 17930 390 1 2 . 1 1 26 26 THR N N 741 113.655 113.655 113.056 0.599 17930 391 1 2 . 1 1 26 26 THR HA H 741 4.221 4.221 4.162 0.059 17930 392 1 2 . 1 1 26 26 THR C C 741 174.807 174.807 174.401 0.406 17930 393 1 2 . 1 1 26 26 THR CA C 741 62.439 62.439 63.671 -1.232 17930 394 1 2 . 1 1 26 26 THR CB C 741 69.255 69.255 68.859 0.396 17930 395 1 2 . 1 1 26 26 THR H H 741 7.946 7.946 8.179 -0.233 17930 396 1 2 . 1 1 27 27 ALA N N 742 124.530 124.530 122.822 1.708 17930 397 1 2 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.621 -0.428 17930 398 1 2 . 1 1 27 27 ALA C C 742 177.516 177.516 178.854 -1.338 17930 399 1 2 . 1 1 27 27 ALA CA C 742 52.937 52.937 53.624 -0.687 17930 400 1 2 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.494 -0.519 17930 401 1 2 . 1 1 27 27 ALA H H 742 8.116 8.116 7.660 0.456 17930 402 1 2 . 1 1 28 28 ASN N N 743 116.065 116.065 116.769 -0.704 17930 403 1 2 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.654 -0.055 17930 404 1 2 . 1 1 28 28 ASN C C 743 174.308 174.308 175.562 -1.254 17930 405 1 2 . 1 1 28 28 ASN CA C 743 52.868 52.868 54.920 -2.052 17930 406 1 2 . 1 1 28 28 ASN CB C 743 39.097 39.097 39.416 -0.319 17930 407 1 2 . 1 1 28 28 ASN H H 743 8.048 8.048 8.551 -0.503 17930 408 1 2 . 1 1 29 29 ASN N N 744 119.536 119.536 118.519 1.017 17930 409 1 2 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.203 -0.595 17930 410 1 2 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.646 0.294 17930 411 1 2 . 1 1 29 29 ASN CB C 744 38.799 38.799 39.567 -0.768 17930 412 1 2 . 1 1 29 29 ASN H H 744 8.031 8.031 7.659 0.372 17930 413 1 2 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.351 0.021 17930 414 1 2 . 1 1 30 30 PRO C C 745 177.161 177.161 176.496 0.665 17930 415 1 2 . 1 1 30 30 PRO CA C 745 63.583 63.583 64.705 -1.122 17930 416 1 2 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.142 -0.201 17930 417 1 2 . 1 1 34 34 GLU N N 749 121.102 121.102 120.846 0.256 17930 418 1 2 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.329 -0.123 17930 419 1 2 . 1 1 34 34 GLU C C 749 176.842 176.842 178.001 -1.159 17930 420 1 2 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.608 -1.910 17930 421 1 2 . 1 1 34 34 GLU CB C 749 29.905 29.905 29.991 -0.086 17930 422 1 2 . 1 1 34 34 GLU H H 749 8.216 8.216 8.951 -0.735 17930 423 1 2 . 1 1 35 35 ALA N N 750 124.433 124.433 122.084 2.349 17930 424 1 2 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.418 -0.143 17930 425 1 2 . 1 1 35 35 ALA C C 750 178.080 178.080 179.012 -0.932 17930 426 1 2 . 1 1 35 35 ALA CA C 750 53.212 53.212 53.939 -0.727 17930 427 1 2 . 1 1 35 35 ALA CB C 750 19.060 19.060 18.524 0.536 17930 428 1 2 . 1 1 35 35 ALA H H 750 8.339 8.339 8.676 -0.337 17930 429 1 2 . 1 1 36 36 THR N N 751 111.881 111.881 113.121 -1.240 17930 430 1 2 . 1 1 36 36 THR HA H 751 4.225 4.225 4.025 0.200 17930 431 1 2 . 1 1 36 36 THR C C 751 175.174 175.174 175.649 -0.475 17930 432 1 2 . 1 1 36 36 THR CA C 751 62.508 62.508 65.466 -2.958 17930 433 1 2 . 1 1 36 36 THR CB C 751 69.600 69.600 68.561 1.039 17930 434 1 2 . 1 1 36 36 THR H H 751 8.008 8.008 8.172 -0.164 17930 435 1 2 . 1 1 37 37 SER N N 752 117.588 117.588 114.090 3.498 17930 436 1 2 . 1 1 37 37 SER HA H 752 4.567 4.567 4.414 0.153 17930 437 1 2 . 1 1 37 37 SER C C 752 174.988 174.988 175.690 -0.702 17930 438 1 2 . 1 1 37 37 SER CA C 752 58.856 58.856 60.621 -1.765 17930 439 1 2 . 1 1 37 37 SER CB C 752 63.705 63.705 63.623 0.082 17930 440 1 2 . 1 1 37 37 SER H H 752 8.168 8.168 7.703 0.465 17930 441 1 2 . 1 1 38 38 THR N N 753 116.798 116.798 113.303 3.495 17930 442 1 2 . 1 1 38 38 THR HA H 753 4.126 4.126 4.159 -0.033 17930 443 1 2 . 1 1 38 38 THR C C 753 174.719 174.719 174.577 0.142 17930 444 1 2 . 1 1 38 38 THR CA C 753 62.889 62.889 63.545 -0.656 17930 445 1 2 . 1 1 38 38 THR CB C 753 69.276 69.276 69.255 0.021 17930 446 1 2 . 1 1 38 38 THR H H 753 8.105 8.105 7.620 0.485 17930 447 1 2 . 1 1 39 39 PHE N N 754 120.288 120.288 121.443 -1.155 17930 448 1 2 . 1 1 39 39 PHE HA H 754 4.567 4.567 5.023 -0.456 17930 449 1 2 . 1 1 39 39 PHE C C 754 175.953 175.953 176.028 -0.075 17930 450 1 2 . 1 1 39 39 PHE CA C 754 58.289 58.289 56.265 2.024 17930 451 1 2 . 1 1 39 39 PHE CB C 754 39.212 39.212 41.158 -1.946 17930 452 1 2 . 1 1 39 39 PHE H H 754 8.213 8.213 8.035 0.178 17930 453 1 2 . 1 1 40 40 THR N N 755 113.153 113.153 110.897 2.256 17930 454 1 2 . 1 1 40 40 THR HA H 755 4.159 4.159 4.245 -0.087 17930 455 1 2 . 1 1 40 40 THR C C 755 174.225 174.225 174.463 -0.238 17930 456 1 2 . 1 1 40 40 THR CA C 755 62.446 62.446 63.423 -0.977 17930 457 1 2 . 1 1 40 40 THR CB C 755 69.403 69.403 69.652 -0.249 17930 458 1 2 . 1 1 40 40 THR H H 755 7.871 7.871 8.332 -0.461 17930 459 1 2 . 1 1 41 41 ASN N N 756 119.863 119.863 118.907 0.956 17930 460 1 2 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.883 -0.284 17930 461 1 2 . 1 1 41 41 ASN C C 756 175.231 175.231 173.550 1.681 17930 462 1 2 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.219 0.406 17930 463 1 2 . 1 1 41 41 ASN CB C 756 38.852 38.852 40.424 -1.572 17930 464 1 2 . 1 1 41 41 ASN H H 756 8.213 8.213 8.169 0.044 17930 465 1 2 . 1 1 42 42 ILE N N 757 119.671 119.671 124.560 -4.889 17930 466 1 2 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.544 -0.411 17930 467 1 2 . 1 1 42 42 ILE C C 757 175.709 175.709 176.791 -1.082 17930 468 1 2 . 1 1 42 42 ILE CA C 757 61.607 61.607 59.962 1.645 17930 469 1 2 . 1 1 42 42 ILE CB C 757 38.445 38.445 39.557 -1.112 17930 470 1 2 . 1 1 42 42 ILE H H 757 7.860 7.860 8.073 -0.213 17930 471 1 2 . 1 1 43 43 THR N N 758 115.737 115.737 115.059 0.678 17930 472 1 2 . 1 1 43 43 THR HA H 758 4.276 4.276 4.015 0.261 17930 473 1 2 . 1 1 43 43 THR C C 758 173.978 173.978 175.295 -1.317 17930 474 1 2 . 1 1 43 43 THR CA C 758 61.620 61.620 65.103 -3.482 17930 475 1 2 . 1 1 43 43 THR CB C 758 69.640 69.640 68.532 1.107 17930 476 1 2 . 1 1 43 43 THR H H 758 7.929 7.929 8.454 -0.525 17930 477 1 2 . 1 1 44 44 TYR N N 759 122.351 122.351 119.075 3.276 17930 478 1 2 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.483 0.084 17930 479 1 2 . 1 1 44 44 TYR C C 759 175.349 175.349 175.381 -0.032 17930 480 1 2 . 1 1 44 44 TYR CA C 759 57.894 57.894 57.572 0.322 17930 481 1 2 . 1 1 44 44 TYR CB C 759 38.782 38.782 38.598 0.184 17930 482 1 2 . 1 1 44 44 TYR H H 759 8.048 8.048 7.978 0.070 17930 483 1 2 . 1 1 45 45 ARG N N 760 122.717 122.717 118.758 3.959 17930 484 1 2 . 1 1 45 45 ARG HA H 760 4.266 4.266 3.957 0.309 17930 485 1 2 . 1 1 45 45 ARG C C 760 176.141 176.141 175.135 1.006 17930 486 1 2 . 1 1 45 45 ARG CA C 760 55.718 55.718 56.969 -1.251 17930 487 1 2 . 1 1 45 45 ARG CB C 760 30.828 30.828 28.866 1.962 17930 488 1 2 . 1 1 45 45 ARG H H 760 8.111 8.111 8.195 -0.084 17930 489 1 2 . 1 1 46 46 GLY N N 761 109.046 109.046 106.194 2.852 17930 490 1 2 . 1 1 46 46 GLY C C 761 173.235 173.235 173.522 -0.287 17930 491 1 2 . 1 1 46 46 GLY CA C 761 45.272 45.272 45.153 0.119 17930 492 1 2 . 1 1 46 46 GLY H H 761 7.786 7.786 8.370 -0.584 17930 493 1 3 . 1 1 2 2 LEU N N 717 119.998 119.998 122.368 -2.370 17930 494 1 3 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.321 -0.191 17930 495 1 3 . 1 1 2 2 LEU C C 717 177.845 177.845 177.688 0.157 17930 496 1 3 . 1 1 2 2 LEU CA C 717 56.674 56.674 56.949 -0.275 17930 497 1 3 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.435 0.489 17930 498 1 3 . 1 1 2 2 LEU H H 717 7.838 7.838 7.956 -0.118 17930 499 1 3 . 1 1 3 3 LEU N N 718 118.244 118.244 116.376 1.868 17930 500 1 3 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.081 -0.024 17930 501 1 3 . 1 1 3 3 LEU C C 718 177.838 177.838 178.090 -0.252 17930 502 1 3 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.281 -0.338 17930 503 1 3 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.532 0.273 17930 504 1 3 . 1 1 3 3 LEU H H 718 7.727 7.727 8.039 -0.312 17930 505 1 3 . 1 1 4 4 ILE N N 719 116.296 116.296 115.748 0.548 17930 506 1 3 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.162 -0.251 17930 507 1 3 . 1 1 4 4 ILE C C 719 176.887 176.887 177.343 -0.456 17930 508 1 3 . 1 1 4 4 ILE CA C 719 62.960 62.960 62.292 0.668 17930 509 1 3 . 1 1 4 4 ILE CB C 719 38.219 38.219 39.083 -0.864 17930 510 1 3 . 1 1 4 4 ILE H H 719 7.738 7.738 7.308 0.430 17930 511 1 3 . 1 1 5 5 THR N N 720 114.599 114.599 117.359 -2.760 17930 512 1 3 . 1 1 5 5 THR HA H 720 4.161 4.161 4.139 0.022 17930 513 1 3 . 1 1 5 5 THR C C 720 175.578 175.578 176.584 -1.006 17930 514 1 3 . 1 1 5 5 THR CA C 720 64.390 64.390 66.535 -2.145 17930 515 1 3 . 1 1 5 5 THR CB C 720 69.027 69.027 68.689 0.338 17930 516 1 3 . 1 1 5 5 THR H H 720 7.803 7.803 7.951 -0.148 17930 517 1 3 . 1 1 6 6 ILE N N 721 119.767 119.767 119.797 -0.030 17930 518 1 3 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.696 0.213 17930 519 1 3 . 1 1 6 6 ILE C C 721 176.119 176.119 177.258 -1.139 17930 520 1 3 . 1 1 6 6 ILE CA C 721 63.025 63.025 65.136 -2.111 17930 521 1 3 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.989 0.145 17930 522 1 3 . 1 1 6 6 ILE H H 721 7.786 7.786 7.470 0.316 17930 523 1 3 . 1 1 7 7 HIS N N 722 118.437 118.437 116.609 1.828 17930 524 1 3 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.382 0.233 17930 525 1 3 . 1 1 7 7 HIS CA C 722 57.344 57.344 59.063 -1.719 17930 526 1 3 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.081 -0.706 17930 527 1 3 . 1 1 7 7 HIS H H 722 8.134 8.134 7.698 0.436 17930 528 1 3 . 1 1 8 8 ASP N N 723 118.080 118.080 117.411 0.669 17930 529 1 3 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.906 -0.312 17930 530 1 3 . 1 1 8 8 ASP C C 723 176.711 176.711 177.658 -0.947 17930 531 1 3 . 1 1 8 8 ASP CA C 723 54.176 54.176 55.486 -1.310 17930 532 1 3 . 1 1 8 8 ASP CB C 723 41.480 41.480 41.464 0.016 17930 533 1 3 . 1 1 8 8 ASP H H 723 8.025 8.025 7.696 0.329 17930 534 1 3 . 1 1 9 9 ARG N N 724 120.693 120.693 119.555 1.138 17930 535 1 3 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.072 0.132 17930 536 1 3 . 1 1 9 9 ARG C C 724 177.662 177.662 177.231 0.431 17930 537 1 3 . 1 1 9 9 ARG CA C 724 56.819 56.819 59.469 -2.650 17930 538 1 3 . 1 1 9 9 ARG CB C 724 32.703 32.703 29.597 3.106 17930 539 1 3 . 1 1 9 9 ARG H H 724 8.219 8.219 8.117 0.102 17930 540 1 3 . 1 1 10 10 LYS N N 725 121.792 121.792 119.225 2.567 17930 541 1 3 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.195 -0.055 17930 542 1 3 . 1 1 10 10 LYS C C 725 178.127 178.127 179.077 -0.950 17930 543 1 3 . 1 1 10 10 LYS CA C 725 57.637 57.637 59.449 -1.812 17930 544 1 3 . 1 1 10 10 LYS CB C 725 32.190 32.190 32.259 -0.069 17930 545 1 3 . 1 1 10 10 LYS H H 725 8.493 8.493 8.144 0.349 17930 546 1 3 . 1 1 11 11 GLU N N 726 119.285 119.285 120.143 -0.858 17930 547 1 3 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.177 -0.081 17930 548 1 3 . 1 1 11 11 GLU C C 726 177.688 177.688 179.133 -1.445 17930 549 1 3 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.909 -0.503 17930 550 1 3 . 1 1 11 11 GLU CB C 726 29.340 29.340 29.818 -0.478 17930 551 1 3 . 1 1 11 11 GLU H H 726 8.716 8.716 8.297 0.419 17930 552 1 3 . 1 1 12 12 PHE N N 727 118.784 118.784 120.869 -2.085 17930 553 1 3 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.323 0.055 17930 554 1 3 . 1 1 12 12 PHE C C 727 176.358 176.358 176.719 -0.361 17930 555 1 3 . 1 1 12 12 PHE CA C 727 59.332 59.332 59.979 -0.647 17930 556 1 3 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.236 -0.076 17930 557 1 3 . 1 1 12 12 PHE H H 727 7.906 7.906 8.126 -0.220 17930 558 1 3 . 1 1 13 13 ALA N N 728 122.197 122.197 121.637 0.560 17930 559 1 3 . 1 1 13 13 ALA HA H 728 4.158 4.158 3.667 0.491 17930 560 1 3 . 1 1 13 13 ALA C C 728 178.513 178.513 178.946 -0.433 17930 561 1 3 . 1 1 13 13 ALA CA C 728 54.083 54.083 55.433 -1.350 17930 562 1 3 . 1 1 13 13 ALA CB C 728 18.496 18.496 17.905 0.591 17930 563 1 3 . 1 1 13 13 ALA H H 728 7.951 7.951 8.598 -0.647 17930 564 1 3 . 1 1 14 14 LYS N N 729 117.742 117.742 119.521 -1.779 17930 565 1 3 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.059 0.037 17930 566 1 3 . 1 1 14 14 LYS C C 729 177.562 177.562 178.596 -1.034 17930 567 1 3 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.305 -1.375 17930 568 1 3 . 1 1 14 14 LYS CB C 729 30.515 30.515 31.819 -1.304 17930 569 1 3 . 1 1 14 14 LYS H H 729 7.814 7.814 7.677 0.137 17930 570 1 3 . 1 1 15 15 PHE N N 730 119.960 119.960 119.817 0.143 17930 571 1 3 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.382 -0.003 17930 572 1 3 . 1 1 15 15 PHE C C 730 176.706 176.706 177.626 -0.920 17930 573 1 3 . 1 1 15 15 PHE CA C 730 59.753 59.753 61.396 -1.643 17930 574 1 3 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.335 -0.325 17930 575 1 3 . 1 1 15 15 PHE H H 730 7.900 7.900 7.659 0.241 17930 576 1 3 . 1 1 16 16 GLU N N 731 119.516 119.516 117.703 1.813 17930 577 1 3 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.944 0.121 17930 578 1 3 . 1 1 16 16 GLU C C 731 177.892 177.892 178.719 -0.827 17930 579 1 3 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.104 -1.279 17930 580 1 3 . 1 1 16 16 GLU CB C 731 29.349 29.349 29.077 0.272 17930 581 1 3 . 1 1 16 16 GLU H H 731 8.174 8.174 8.164 0.010 17930 582 1 3 . 1 1 17 17 GLU N N 732 120.577 120.577 120.312 0.265 17930 583 1 3 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.912 0.138 17930 584 1 3 . 1 1 17 17 GLU C C 732 178.077 178.077 178.677 -0.600 17930 585 1 3 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.307 -1.000 17930 586 1 3 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.395 -0.007 17930 587 1 3 . 1 1 17 17 GLU H H 732 8.145 8.145 8.393 -0.248 17930 588 1 3 . 1 1 18 18 GLU N N 733 119.573 119.573 118.112 1.461 17930 589 1 3 . 1 1 18 18 GLU HA H 733 4.056 4.056 4.015 0.041 17930 590 1 3 . 1 1 18 18 GLU C C 733 177.346 177.346 178.503 -1.157 17930 591 1 3 . 1 1 18 18 GLU CA C 733 58.298 58.298 58.756 -0.458 17930 592 1 3 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.519 -0.072 17930 593 1 3 . 1 1 18 18 GLU H H 733 8.152 8.152 7.627 0.525 17930 594 1 3 . 1 1 19 19 ARG N N 734 118.803 118.803 119.116 -0.313 17930 595 1 3 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.249 -0.217 17930 596 1 3 . 1 1 19 19 ARG C C 734 177.328 177.328 177.761 -0.433 17930 597 1 3 . 1 1 19 19 ARG CA C 734 58.397 58.397 57.337 1.060 17930 598 1 3 . 1 1 19 19 ARG CB C 734 32.170 32.170 30.095 2.075 17930 599 1 3 . 1 1 19 19 ARG H H 734 8.008 8.008 7.631 0.377 17930 600 1 3 . 1 1 20 20 ALA N N 735 121.734 121.734 121.280 0.454 17930 601 1 3 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.285 -0.150 17930 602 1 3 . 1 1 20 20 ALA C C 735 178.936 178.936 179.487 -0.551 17930 603 1 3 . 1 1 20 20 ALA CA C 735 53.546 53.546 54.751 -1.204 17930 604 1 3 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.627 0.021 17930 605 1 3 . 1 1 20 20 ALA H H 735 7.877 7.877 8.558 -0.681 17930 606 1 3 . 1 1 21 21 ARG N N 736 118.070 118.070 120.031 -1.961 17930 607 1 3 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.202 -0.092 17930 608 1 3 . 1 1 21 21 ARG C C 736 176.675 176.675 178.274 -1.599 17930 609 1 3 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.664 -1.927 17930 610 1 3 . 1 1 21 21 ARG CB C 736 30.573 30.573 29.881 0.692 17930 611 1 3 . 1 1 21 21 ARG H H 736 7.854 7.854 7.700 0.154 17930 612 1 3 . 1 1 22 22 ALA N N 737 122.582 122.582 119.913 2.669 17930 613 1 3 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.221 -0.070 17930 614 1 3 . 1 1 22 22 ALA C C 737 177.676 177.676 178.161 -0.485 17930 615 1 3 . 1 1 22 22 ALA CA C 737 52.726 52.726 53.996 -1.270 17930 616 1 3 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.707 0.084 17930 617 1 3 . 1 1 22 22 ALA H H 737 7.809 7.809 7.933 -0.124 17930 618 1 3 . 1 1 23 23 LYS N N 738 118.494 118.494 116.259 2.235 17930 619 1 3 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.298 -0.139 17930 620 1 3 . 1 1 23 23 LYS C C 738 176.523 176.523 176.333 0.190 17930 621 1 3 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.577 -0.109 17930 622 1 3 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.329 -2.703 17930 623 1 3 . 1 1 23 23 LYS H H 738 7.854 7.854 7.823 0.031 17930 624 1 3 . 1 1 24 24 TRP N N 739 120.538 120.538 120.833 -0.295 17930 625 1 3 . 1 1 24 24 TRP HA H 739 4.599 4.599 4.984 -0.385 17930 626 1 3 . 1 1 24 24 TRP C C 739 175.937 175.937 175.277 0.660 17930 627 1 3 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.024 0.908 17930 628 1 3 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.529 -0.007 17930 629 1 3 . 1 1 24 24 TRP H H 739 7.967 7.967 8.817 -0.850 17930 630 1 3 . 1 1 25 25 ASP N N 740 121.078 121.078 121.998 -0.920 17930 631 1 3 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.271 -0.118 17930 632 1 3 . 1 1 25 25 ASP C C 740 176.659 176.659 177.588 -0.929 17930 633 1 3 . 1 1 25 25 ASP CA C 740 54.127 54.127 58.263 -4.136 17930 634 1 3 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.862 0.164 17930 635 1 3 . 1 1 25 25 ASP H H 740 8.219 8.219 8.193 0.026 17930 636 1 3 . 1 1 26 26 THR N N 741 113.655 113.655 111.948 1.707 17930 637 1 3 . 1 1 26 26 THR HA H 741 4.221 4.221 4.262 -0.041 17930 638 1 3 . 1 1 26 26 THR C C 741 174.807 174.807 174.865 -0.058 17930 639 1 3 . 1 1 26 26 THR CA C 741 62.439 62.439 63.489 -1.050 17930 640 1 3 . 1 1 26 26 THR CB C 741 69.255 69.255 68.593 0.662 17930 641 1 3 . 1 1 26 26 THR H H 741 7.946 7.946 8.331 -0.385 17930 642 1 3 . 1 1 27 27 ALA N N 742 124.530 124.530 122.389 2.141 17930 643 1 3 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.482 -0.289 17930 644 1 3 . 1 1 27 27 ALA C C 742 177.516 177.516 178.520 -1.004 17930 645 1 3 . 1 1 27 27 ALA CA C 742 52.937 52.937 53.851 -0.914 17930 646 1 3 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.644 -0.670 17930 647 1 3 . 1 1 27 27 ALA H H 742 8.116 8.116 7.743 0.373 17930 648 1 3 . 1 1 28 28 ASN N N 743 116.065 116.065 115.120 0.945 17930 649 1 3 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.888 -0.289 17930 650 1 3 . 1 1 28 28 ASN C C 743 174.308 174.308 175.462 -1.154 17930 651 1 3 . 1 1 28 28 ASN CA C 743 52.868 52.868 53.987 -1.119 17930 652 1 3 . 1 1 28 28 ASN CB C 743 39.097 39.097 41.378 -2.281 17930 653 1 3 . 1 1 28 28 ASN H H 743 8.048 8.048 8.116 -0.068 17930 654 1 3 . 1 1 29 29 ASN N N 744 119.536 119.536 119.135 0.401 17930 655 1 3 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.090 -0.482 17930 656 1 3 . 1 1 29 29 ASN CA C 744 50.940 50.940 51.373 -0.433 17930 657 1 3 . 1 1 29 29 ASN CB C 744 38.799 38.799 40.186 -1.387 17930 658 1 3 . 1 1 29 29 ASN H H 744 8.031 8.031 7.950 0.081 17930 659 1 3 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.422 -0.050 17930 660 1 3 . 1 1 30 30 PRO C C 745 177.161 177.161 176.318 0.843 17930 661 1 3 . 1 1 30 30 PRO CA C 745 63.583 63.583 64.480 -0.897 17930 662 1 3 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.122 -0.181 17930 663 1 3 . 1 1 34 34 GLU N N 749 121.102 121.102 121.187 -0.085 17930 664 1 3 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.337 -0.131 17930 665 1 3 . 1 1 34 34 GLU C C 749 176.842 176.842 178.494 -1.652 17930 666 1 3 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.444 -1.746 17930 667 1 3 . 1 1 34 34 GLU CB C 749 29.905 29.905 29.956 -0.051 17930 668 1 3 . 1 1 34 34 GLU H H 749 8.216 8.216 8.852 -0.636 17930 669 1 3 . 1 1 35 35 ALA N N 750 124.433 124.433 120.760 3.673 17930 670 1 3 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.262 0.013 17930 671 1 3 . 1 1 35 35 ALA C C 750 178.080 178.080 179.530 -1.450 17930 672 1 3 . 1 1 35 35 ALA CA C 750 53.212 53.212 54.391 -1.179 17930 673 1 3 . 1 1 35 35 ALA CB C 750 19.060 19.060 18.127 0.933 17930 674 1 3 . 1 1 35 35 ALA H H 750 8.339 8.339 8.219 0.120 17930 675 1 3 . 1 1 36 36 THR N N 751 111.881 111.881 112.892 -1.011 17930 676 1 3 . 1 1 36 36 THR HA H 751 4.225 4.225 4.154 0.071 17930 677 1 3 . 1 1 36 36 THR C C 751 175.174 175.174 175.752 -0.578 17930 678 1 3 . 1 1 36 36 THR CA C 751 62.508 62.508 64.906 -2.398 17930 679 1 3 . 1 1 36 36 THR CB C 751 69.600 69.600 68.772 0.828 17930 680 1 3 . 1 1 36 36 THR H H 751 8.008 8.008 8.313 -0.305 17930 681 1 3 . 1 1 37 37 SER N N 752 117.588 117.588 112.515 5.073 17930 682 1 3 . 1 1 37 37 SER HA H 752 4.567 4.567 4.515 0.052 17930 683 1 3 . 1 1 37 37 SER C C 752 174.988 174.988 175.420 -0.432 17930 684 1 3 . 1 1 37 37 SER CA C 752 58.856 58.856 59.373 -0.517 17930 685 1 3 . 1 1 37 37 SER CB C 752 63.705 63.705 63.559 0.147 17930 686 1 3 . 1 1 37 37 SER H H 752 8.168 8.168 7.659 0.509 17930 687 1 3 . 1 1 38 38 THR N N 753 116.798 116.798 115.491 1.307 17930 688 1 3 . 1 1 38 38 THR HA H 753 4.126 4.126 4.087 0.039 17930 689 1 3 . 1 1 38 38 THR C C 753 174.719 174.719 174.667 0.052 17930 690 1 3 . 1 1 38 38 THR CA C 753 62.889 62.889 64.871 -1.982 17930 691 1 3 . 1 1 38 38 THR CB C 753 69.276 69.276 69.185 0.091 17930 692 1 3 . 1 1 38 38 THR H H 753 8.105 8.105 7.475 0.630 17930 693 1 3 . 1 1 39 39 PHE N N 754 120.288 120.288 119.856 0.432 17930 694 1 3 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.868 -0.301 17930 695 1 3 . 1 1 39 39 PHE C C 754 175.953 175.953 175.826 0.127 17930 696 1 3 . 1 1 39 39 PHE CA C 754 58.289 58.289 56.433 1.856 17930 697 1 3 . 1 1 39 39 PHE CB C 754 39.212 39.212 39.921 -0.709 17930 698 1 3 . 1 1 39 39 PHE H H 754 8.213 8.213 7.985 0.228 17930 699 1 3 . 1 1 40 40 THR N N 755 113.153 113.153 111.249 1.904 17930 700 1 3 . 1 1 40 40 THR HA H 755 4.159 4.159 4.343 -0.184 17930 701 1 3 . 1 1 40 40 THR C C 755 174.225 174.225 174.133 0.092 17930 702 1 3 . 1 1 40 40 THR CA C 755 62.446 62.446 63.279 -0.833 17930 703 1 3 . 1 1 40 40 THR CB C 755 69.403 69.403 69.724 -0.321 17930 704 1 3 . 1 1 40 40 THR H H 755 7.871 7.871 8.301 -0.430 17930 705 1 3 . 1 1 41 41 ASN N N 756 119.863 119.863 118.162 1.701 17930 706 1 3 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.921 -0.322 17930 707 1 3 . 1 1 41 41 ASN C C 756 175.231 175.231 173.665 1.566 17930 708 1 3 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.491 0.134 17930 709 1 3 . 1 1 41 41 ASN CB C 756 38.852 38.852 39.624 -0.772 17930 710 1 3 . 1 1 41 41 ASN H H 756 8.213 8.213 7.998 0.215 17930 711 1 3 . 1 1 42 42 ILE N N 757 119.671 119.671 123.336 -3.665 17930 712 1 3 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.361 -0.228 17930 713 1 3 . 1 1 42 42 ILE C C 757 175.709 175.709 175.788 -0.079 17930 714 1 3 . 1 1 42 42 ILE CA C 757 61.607 61.607 58.674 2.933 17930 715 1 3 . 1 1 42 42 ILE CB C 757 38.445 38.445 40.439 -1.994 17930 716 1 3 . 1 1 42 42 ILE H H 757 7.860 7.860 7.871 -0.011 17930 717 1 3 . 1 1 43 43 THR N N 758 115.737 115.737 115.143 0.594 17930 718 1 3 . 1 1 43 43 THR HA H 758 4.276 4.276 4.083 0.193 17930 719 1 3 . 1 1 43 43 THR C C 758 173.978 173.978 175.061 -1.083 17930 720 1 3 . 1 1 43 43 THR CA C 758 61.620 61.620 63.931 -2.311 17930 721 1 3 . 1 1 43 43 THR CB C 758 69.640 69.640 69.089 0.551 17930 722 1 3 . 1 1 43 43 THR H H 758 7.929 7.929 8.369 -0.440 17930 723 1 3 . 1 1 44 44 TYR N N 759 122.351 122.351 118.768 3.583 17930 724 1 3 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.503 0.064 17930 725 1 3 . 1 1 44 44 TYR C C 759 175.349 175.349 175.850 -0.501 17930 726 1 3 . 1 1 44 44 TYR CA C 759 57.894 57.894 59.074 -1.180 17930 727 1 3 . 1 1 44 44 TYR CB C 759 38.782 38.782 38.773 0.009 17930 728 1 3 . 1 1 44 44 TYR H H 759 8.048 8.048 7.781 0.267 17930 729 1 3 . 1 1 45 45 ARG N N 760 122.717 122.717 118.144 4.573 17930 730 1 3 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.071 0.195 17930 731 1 3 . 1 1 45 45 ARG C C 760 176.141 176.141 174.732 1.409 17930 732 1 3 . 1 1 45 45 ARG CA C 760 55.718 55.718 57.061 -1.343 17930 733 1 3 . 1 1 45 45 ARG CB C 760 30.828 30.828 29.256 1.572 17930 734 1 3 . 1 1 45 45 ARG H H 760 8.111 8.111 8.307 -0.196 17930 735 1 3 . 1 1 46 46 GLY N N 761 109.046 109.046 103.130 5.916 17930 736 1 3 . 1 1 46 46 GLY C C 761 173.235 173.235 173.363 -0.128 17930 737 1 3 . 1 1 46 46 GLY CA C 761 45.272 45.272 44.732 0.540 17930 738 1 3 . 1 1 46 46 GLY H H 761 7.786 7.786 7.973 -0.187 17930 739 1 4 . 1 1 2 2 LEU N N 717 119.998 119.998 123.935 -3.937 17930 740 1 4 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.121 0.009 17930 741 1 4 . 1 1 2 2 LEU C C 717 177.845 177.845 177.764 0.081 17930 742 1 4 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.583 -0.909 17930 743 1 4 . 1 1 2 2 LEU CB C 717 41.924 41.924 40.813 1.111 17930 744 1 4 . 1 1 2 2 LEU H H 717 7.838 7.838 7.970 -0.132 17930 745 1 4 . 1 1 3 3 LEU N N 718 118.244 118.244 114.316 3.928 17930 746 1 4 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.101 -0.044 17930 747 1 4 . 1 1 3 3 LEU C C 718 177.838 177.838 177.919 -0.081 17930 748 1 4 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.562 -0.619 17930 749 1 4 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.468 0.338 17930 750 1 4 . 1 1 3 3 LEU H H 718 7.727 7.727 8.012 -0.285 17930 751 1 4 . 1 1 4 4 ILE N N 719 116.296 116.296 117.063 -0.767 17930 752 1 4 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.290 -0.379 17930 753 1 4 . 1 1 4 4 ILE C C 719 176.887 176.887 178.069 -1.182 17930 754 1 4 . 1 1 4 4 ILE CA C 719 62.960 62.960 61.440 1.520 17930 755 1 4 . 1 1 4 4 ILE CB C 719 38.219 38.219 37.520 0.699 17930 756 1 4 . 1 1 4 4 ILE H H 719 7.738 7.738 7.956 -0.218 17930 757 1 4 . 1 1 5 5 THR N N 720 114.599 114.599 117.959 -3.360 17930 758 1 4 . 1 1 5 5 THR HA H 720 4.161 4.161 4.180 -0.019 17930 759 1 4 . 1 1 5 5 THR C C 720 175.578 175.578 176.282 -0.704 17930 760 1 4 . 1 1 5 5 THR CA C 720 64.390 64.390 65.025 -0.635 17930 761 1 4 . 1 1 5 5 THR CB C 720 69.027 69.027 68.247 0.780 17930 762 1 4 . 1 1 5 5 THR H H 720 7.803 7.803 8.017 -0.214 17930 763 1 4 . 1 1 6 6 ILE N N 721 119.767 119.767 120.339 -0.572 17930 764 1 4 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.669 0.240 17930 765 1 4 . 1 1 6 6 ILE C C 721 176.119 176.119 177.381 -1.262 17930 766 1 4 . 1 1 6 6 ILE CA C 721 63.025 63.025 63.599 -0.574 17930 767 1 4 . 1 1 6 6 ILE CB C 721 38.134 38.134 36.179 1.955 17930 768 1 4 . 1 1 6 6 ILE H H 721 7.786 7.786 7.663 0.123 17930 769 1 4 . 1 1 7 7 HIS N N 722 118.437 118.437 118.273 0.164 17930 770 1 4 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.329 0.286 17930 771 1 4 . 1 1 7 7 HIS CA C 722 57.344 57.344 59.599 -2.255 17930 772 1 4 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.371 -0.996 17930 773 1 4 . 1 1 7 7 HIS H H 722 8.134 8.134 7.653 0.481 17930 774 1 4 . 1 1 8 8 ASP N N 723 118.080 118.080 118.321 -0.241 17930 775 1 4 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.757 -0.163 17930 776 1 4 . 1 1 8 8 ASP C C 723 176.711 176.711 177.611 -0.900 17930 777 1 4 . 1 1 8 8 ASP CA C 723 54.176 54.176 55.684 -1.508 17930 778 1 4 . 1 1 8 8 ASP CB C 723 41.480 41.480 41.122 0.358 17930 779 1 4 . 1 1 8 8 ASP H H 723 8.025 8.025 7.855 0.170 17930 780 1 4 . 1 1 9 9 ARG N N 724 120.693 120.693 119.476 1.217 17930 781 1 4 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.160 0.044 17930 782 1 4 . 1 1 9 9 ARG C C 724 177.662 177.662 177.862 -0.200 17930 783 1 4 . 1 1 9 9 ARG CA C 724 56.819 56.819 58.952 -2.133 17930 784 1 4 . 1 1 9 9 ARG CB C 724 32.703 32.703 29.873 2.830 17930 785 1 4 . 1 1 9 9 ARG H H 724 8.219 8.219 7.888 0.331 17930 786 1 4 . 1 1 10 10 LYS N N 725 121.792 121.792 118.377 3.415 17930 787 1 4 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.213 -0.073 17930 788 1 4 . 1 1 10 10 LYS C C 725 178.127 178.127 178.132 -0.005 17930 789 1 4 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.190 -0.553 17930 790 1 4 . 1 1 10 10 LYS CB C 725 32.190 32.190 31.901 0.289 17930 791 1 4 . 1 1 10 10 LYS H H 725 8.493 8.493 7.545 0.948 17930 792 1 4 . 1 1 11 11 GLU N N 726 119.285 119.285 118.612 0.673 17930 793 1 4 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.189 -0.093 17930 794 1 4 . 1 1 11 11 GLU C C 726 177.688 177.688 178.570 -0.882 17930 795 1 4 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.781 -0.375 17930 796 1 4 . 1 1 11 11 GLU CB C 726 29.340 29.340 30.168 -0.828 17930 797 1 4 . 1 1 11 11 GLU H H 726 8.716 8.716 7.597 1.119 17930 798 1 4 . 1 1 12 12 PHE N N 727 118.784 118.784 120.145 -1.361 17930 799 1 4 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.384 -0.006 17930 800 1 4 . 1 1 12 12 PHE C C 727 176.358 176.358 176.968 -0.610 17930 801 1 4 . 1 1 12 12 PHE CA C 727 59.332 59.332 60.123 -0.791 17930 802 1 4 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.498 -0.338 17930 803 1 4 . 1 1 12 12 PHE H H 727 7.906 7.906 7.968 -0.062 17930 804 1 4 . 1 1 13 13 ALA N N 728 122.197 122.197 122.164 0.033 17930 805 1 4 . 1 1 13 13 ALA HA H 728 4.158 4.158 3.955 0.203 17930 806 1 4 . 1 1 13 13 ALA C C 728 178.513 178.513 179.382 -0.869 17930 807 1 4 . 1 1 13 13 ALA CA C 728 54.083 54.083 55.081 -0.998 17930 808 1 4 . 1 1 13 13 ALA CB C 728 18.496 18.496 18.135 0.361 17930 809 1 4 . 1 1 13 13 ALA H H 728 7.951 7.951 8.625 -0.674 17930 810 1 4 . 1 1 14 14 LYS N N 729 117.742 117.742 117.428 0.314 17930 811 1 4 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.023 0.073 17930 812 1 4 . 1 1 14 14 LYS C C 729 177.562 177.562 178.935 -1.373 17930 813 1 4 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.518 -1.588 17930 814 1 4 . 1 1 14 14 LYS CB C 729 30.515 30.515 32.031 -1.516 17930 815 1 4 . 1 1 14 14 LYS H H 729 7.814 7.814 7.999 -0.185 17930 816 1 4 . 1 1 15 15 PHE N N 730 119.960 119.960 119.694 0.266 17930 817 1 4 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.261 0.118 17930 818 1 4 . 1 1 15 15 PHE C C 730 176.706 176.706 177.682 -0.976 17930 819 1 4 . 1 1 15 15 PHE CA C 730 59.753 59.753 60.984 -1.231 17930 820 1 4 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.934 -0.924 17930 821 1 4 . 1 1 15 15 PHE H H 730 7.900 7.900 7.718 0.182 17930 822 1 4 . 1 1 16 16 GLU N N 731 119.516 119.516 119.321 0.195 17930 823 1 4 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.916 0.149 17930 824 1 4 . 1 1 16 16 GLU C C 731 177.892 177.892 178.579 -0.687 17930 825 1 4 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.174 -1.349 17930 826 1 4 . 1 1 16 16 GLU CB C 731 29.349 29.349 28.850 0.499 17930 827 1 4 . 1 1 16 16 GLU H H 731 8.174 8.174 8.398 -0.224 17930 828 1 4 . 1 1 17 17 GLU N N 732 120.577 120.577 119.546 1.031 17930 829 1 4 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.885 0.165 17930 830 1 4 . 1 1 17 17 GLU C C 732 178.077 178.077 179.088 -1.011 17930 831 1 4 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.642 -1.335 17930 832 1 4 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.037 0.351 17930 833 1 4 . 1 1 17 17 GLU H H 732 8.145 8.145 8.547 -0.402 17930 834 1 4 . 1 1 18 18 GLU N N 733 119.573 119.573 118.186 1.387 17930 835 1 4 . 1 1 18 18 GLU HA H 733 4.056 4.056 3.972 0.084 17930 836 1 4 . 1 1 18 18 GLU C C 733 177.346 177.346 178.972 -1.626 17930 837 1 4 . 1 1 18 18 GLU CA C 733 58.298 58.298 59.248 -0.950 17930 838 1 4 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.316 0.131 17930 839 1 4 . 1 1 18 18 GLU H H 733 8.152 8.152 7.683 0.469 17930 840 1 4 . 1 1 19 19 ARG N N 734 118.803 118.803 117.648 1.155 17930 841 1 4 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.257 -0.225 17930 842 1 4 . 1 1 19 19 ARG C C 734 177.328 177.328 177.600 -0.272 17930 843 1 4 . 1 1 19 19 ARG CA C 734 58.397 58.397 57.652 0.745 17930 844 1 4 . 1 1 19 19 ARG CB C 734 32.170 32.170 29.135 3.035 17930 845 1 4 . 1 1 19 19 ARG H H 734 8.008 8.008 7.584 0.424 17930 846 1 4 . 1 1 20 20 ALA N N 735 121.734 121.734 122.657 -0.923 17930 847 1 4 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.161 -0.026 17930 848 1 4 . 1 1 20 20 ALA C C 735 178.936 178.936 178.910 0.026 17930 849 1 4 . 1 1 20 20 ALA CA C 735 53.546 53.546 54.924 -1.378 17930 850 1 4 . 1 1 20 20 ALA CB C 735 18.647 18.647 19.151 -0.505 17930 851 1 4 . 1 1 20 20 ALA H H 735 7.877 7.877 8.544 -0.667 17930 852 1 4 . 1 1 21 21 ARG N N 736 118.070 118.070 119.582 -1.512 17930 853 1 4 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.225 -0.115 17930 854 1 4 . 1 1 21 21 ARG C C 736 176.675 176.675 178.148 -1.473 17930 855 1 4 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.703 -1.966 17930 856 1 4 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.215 0.358 17930 857 1 4 . 1 1 21 21 ARG H H 736 7.854 7.854 8.383 -0.529 17930 858 1 4 . 1 1 22 22 ALA N N 737 122.582 122.582 120.390 2.192 17930 859 1 4 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.197 -0.046 17930 860 1 4 . 1 1 22 22 ALA C C 737 177.676 177.676 178.447 -0.771 17930 861 1 4 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.106 -1.380 17930 862 1 4 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.715 0.076 17930 863 1 4 . 1 1 22 22 ALA H H 737 7.809 7.809 7.757 0.052 17930 864 1 4 . 1 1 23 23 LYS N N 738 118.494 118.494 117.014 1.480 17930 865 1 4 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.270 -0.111 17930 866 1 4 . 1 1 23 23 LYS C C 738 176.523 176.523 176.145 0.378 17930 867 1 4 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.521 -0.053 17930 868 1 4 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.406 -2.780 17930 869 1 4 . 1 1 23 23 LYS H H 738 7.854 7.854 7.537 0.317 17930 870 1 4 . 1 1 24 24 TRP N N 739 120.538 120.538 120.407 0.131 17930 871 1 4 . 1 1 24 24 TRP HA H 739 4.599 4.599 4.994 -0.395 17930 872 1 4 . 1 1 24 24 TRP C C 739 175.937 175.937 175.392 0.545 17930 873 1 4 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.188 0.744 17930 874 1 4 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.764 -0.242 17930 875 1 4 . 1 1 24 24 TRP H H 739 7.967 7.967 8.697 -0.730 17930 876 1 4 . 1 1 25 25 ASP N N 740 121.078 121.078 122.044 -0.966 17930 877 1 4 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.326 -0.173 17930 878 1 4 . 1 1 25 25 ASP C C 740 176.659 176.659 177.735 -1.076 17930 879 1 4 . 1 1 25 25 ASP CA C 740 54.127 54.127 57.982 -3.855 17930 880 1 4 . 1 1 25 25 ASP CB C 740 41.026 41.026 41.019 0.007 17930 881 1 4 . 1 1 25 25 ASP H H 740 8.219 8.219 7.979 0.240 17930 882 1 4 . 1 1 26 26 THR N N 741 113.655 113.655 111.423 2.232 17930 883 1 4 . 1 1 26 26 THR HA H 741 4.221 4.221 4.177 0.044 17930 884 1 4 . 1 1 26 26 THR C C 741 174.807 174.807 174.663 0.144 17930 885 1 4 . 1 1 26 26 THR CA C 741 62.439 62.439 63.349 -0.909 17930 886 1 4 . 1 1 26 26 THR CB C 741 69.255 69.255 68.757 0.498 17930 887 1 4 . 1 1 26 26 THR H H 741 7.946 7.946 8.316 -0.370 17930 888 1 4 . 1 1 27 27 ALA N N 742 124.530 124.530 122.863 1.667 17930 889 1 4 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.618 -0.425 17930 890 1 4 . 1 1 27 27 ALA C C 742 177.516 177.516 178.804 -1.288 17930 891 1 4 . 1 1 27 27 ALA CA C 742 52.937 52.937 53.697 -0.760 17930 892 1 4 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.590 -0.616 17930 893 1 4 . 1 1 27 27 ALA H H 742 8.116 8.116 7.628 0.488 17930 894 1 4 . 1 1 28 28 ASN N N 743 116.065 116.065 116.822 -0.757 17930 895 1 4 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.689 -0.090 17930 896 1 4 . 1 1 28 28 ASN C C 743 174.308 174.308 175.611 -1.303 17930 897 1 4 . 1 1 28 28 ASN CA C 743 52.868 52.868 54.765 -1.897 17930 898 1 4 . 1 1 28 28 ASN CB C 743 39.097 39.097 39.507 -0.409 17930 899 1 4 . 1 1 28 28 ASN H H 743 8.048 8.048 8.542 -0.494 17930 900 1 4 . 1 1 29 29 ASN N N 744 119.536 119.536 118.967 0.569 17930 901 1 4 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.167 -0.559 17930 902 1 4 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.934 0.006 17930 903 1 4 . 1 1 29 29 ASN CB C 744 38.799 38.799 39.365 -0.566 17930 904 1 4 . 1 1 29 29 ASN H H 744 8.031 8.031 7.666 0.365 17930 905 1 4 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.406 -0.034 17930 906 1 4 . 1 1 30 30 PRO C C 745 177.161 177.161 176.565 0.596 17930 907 1 4 . 1 1 30 30 PRO CA C 745 63.583 63.583 64.658 -1.075 17930 908 1 4 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.116 -0.175 17930 909 1 4 . 1 1 34 34 GLU N N 749 121.102 121.102 120.792 0.310 17930 910 1 4 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.150 0.056 17930 911 1 4 . 1 1 34 34 GLU C C 749 176.842 176.842 178.240 -1.398 17930 912 1 4 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.778 -2.079 17930 913 1 4 . 1 1 34 34 GLU CB C 749 29.905 29.905 29.784 0.121 17930 914 1 4 . 1 1 34 34 GLU H H 749 8.216 8.216 8.661 -0.445 17930 915 1 4 . 1 1 35 35 ALA N N 750 124.433 124.433 120.957 3.476 17930 916 1 4 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.257 0.018 17930 917 1 4 . 1 1 35 35 ALA C C 750 178.080 178.080 178.805 -0.725 17930 918 1 4 . 1 1 35 35 ALA CA C 750 53.212 53.212 54.628 -1.416 17930 919 1 4 . 1 1 35 35 ALA CB C 750 19.060 19.060 17.845 1.215 17930 920 1 4 . 1 1 35 35 ALA H H 750 8.339 8.339 8.439 -0.100 17930 921 1 4 . 1 1 36 36 THR N N 751 111.881 111.881 112.527 -0.646 17930 922 1 4 . 1 1 36 36 THR HA H 751 4.225 4.225 4.301 -0.076 17930 923 1 4 . 1 1 36 36 THR C C 751 175.174 175.174 175.868 -0.694 17930 924 1 4 . 1 1 36 36 THR CA C 751 62.508 62.508 65.273 -2.765 17930 925 1 4 . 1 1 36 36 THR CB C 751 69.600 69.600 68.816 0.784 17930 926 1 4 . 1 1 36 36 THR H H 751 8.008 8.008 8.102 -0.094 17930 927 1 4 . 1 1 37 37 SER N N 752 117.588 117.588 116.169 1.419 17930 928 1 4 . 1 1 37 37 SER HA H 752 4.567 4.567 4.479 0.088 17930 929 1 4 . 1 1 37 37 SER C C 752 174.988 174.988 175.400 -0.412 17930 930 1 4 . 1 1 37 37 SER CA C 752 58.856 58.856 60.319 -1.463 17930 931 1 4 . 1 1 37 37 SER CB C 752 63.705 63.705 63.752 -0.047 17930 932 1 4 . 1 1 37 37 SER H H 752 8.168 8.168 8.000 0.168 17930 933 1 4 . 1 1 38 38 THR N N 753 116.798 116.798 116.057 0.741 17930 934 1 4 . 1 1 38 38 THR HA H 753 4.126 4.126 3.936 0.190 17930 935 1 4 . 1 1 38 38 THR C C 753 174.719 174.719 174.386 0.333 17930 936 1 4 . 1 1 38 38 THR CA C 753 62.889 62.889 65.383 -2.494 17930 937 1 4 . 1 1 38 38 THR CB C 753 69.276 69.276 69.287 -0.010 17930 938 1 4 . 1 1 38 38 THR H H 753 8.105 8.105 7.383 0.722 17930 939 1 4 . 1 1 39 39 PHE N N 754 120.288 120.288 117.418 2.870 17930 940 1 4 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.944 -0.377 17930 941 1 4 . 1 1 39 39 PHE C C 754 175.953 175.953 175.083 0.870 17930 942 1 4 . 1 1 39 39 PHE CA C 754 58.289 58.289 56.205 2.084 17930 943 1 4 . 1 1 39 39 PHE CB C 754 39.212 39.212 41.149 -1.937 17930 944 1 4 . 1 1 39 39 PHE H H 754 8.213 8.213 8.148 0.065 17930 945 1 4 . 1 1 40 40 THR N N 755 113.153 113.153 113.446 -0.293 17930 946 1 4 . 1 1 40 40 THR HA H 755 4.159 4.159 4.333 -0.174 17930 947 1 4 . 1 1 40 40 THR C C 755 174.225 174.225 174.232 -0.007 17930 948 1 4 . 1 1 40 40 THR CA C 755 62.446 62.446 62.606 -0.161 17930 949 1 4 . 1 1 40 40 THR CB C 755 69.403 69.403 69.413 -0.010 17930 950 1 4 . 1 1 40 40 THR H H 755 7.871 7.871 8.344 -0.473 17930 951 1 4 . 1 1 41 41 ASN N N 756 119.863 119.863 119.205 0.658 17930 952 1 4 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.868 -0.269 17930 953 1 4 . 1 1 41 41 ASN C C 756 175.231 175.231 173.710 1.521 17930 954 1 4 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.179 0.446 17930 955 1 4 . 1 1 41 41 ASN CB C 756 38.852 38.852 40.093 -1.241 17930 956 1 4 . 1 1 41 41 ASN H H 756 8.213 8.213 7.958 0.255 17930 957 1 4 . 1 1 42 42 ILE N N 757 119.671 119.671 123.854 -4.183 17930 958 1 4 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.358 -0.225 17930 959 1 4 . 1 1 42 42 ILE C C 757 175.709 175.709 175.988 -0.279 17930 960 1 4 . 1 1 42 42 ILE CA C 757 61.607 61.607 60.090 1.517 17930 961 1 4 . 1 1 42 42 ILE CB C 757 38.445 38.445 39.691 -1.246 17930 962 1 4 . 1 1 42 42 ILE H H 757 7.860 7.860 8.369 -0.509 17930 963 1 4 . 1 1 43 43 THR N N 758 115.737 115.737 117.434 -1.697 17930 964 1 4 . 1 1 43 43 THR HA H 758 4.276 4.276 4.130 0.146 17930 965 1 4 . 1 1 43 43 THR C C 758 173.978 173.978 175.076 -1.098 17930 966 1 4 . 1 1 43 43 THR CA C 758 61.620 61.620 63.542 -1.923 17930 967 1 4 . 1 1 43 43 THR CB C 758 69.640 69.640 68.876 0.764 17930 968 1 4 . 1 1 43 43 THR H H 758 7.929 7.929 8.414 -0.485 17930 969 1 4 . 1 1 44 44 TYR N N 759 122.351 122.351 119.226 3.125 17930 970 1 4 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.546 0.021 17930 971 1 4 . 1 1 44 44 TYR C C 759 175.349 175.349 175.401 -0.052 17930 972 1 4 . 1 1 44 44 TYR CA C 759 57.894 57.894 58.480 -0.586 17930 973 1 4 . 1 1 44 44 TYR CB C 759 38.782 38.782 38.876 -0.094 17930 974 1 4 . 1 1 44 44 TYR H H 759 8.048 8.048 7.533 0.515 17930 975 1 4 . 1 1 45 45 ARG N N 760 122.717 122.717 121.548 1.169 17930 976 1 4 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.165 0.101 17930 977 1 4 . 1 1 45 45 ARG C C 760 176.141 176.141 175.658 0.483 17930 978 1 4 . 1 1 45 45 ARG CA C 760 55.718 55.718 56.819 -1.101 17930 979 1 4 . 1 1 45 45 ARG CB C 760 30.828 30.828 29.046 1.782 17930 980 1 4 . 1 1 45 45 ARG H H 760 8.111 8.111 8.373 -0.262 17930 981 1 4 . 1 1 46 46 GLY N N 761 109.046 109.046 109.969 -0.923 17930 982 1 4 . 1 1 46 46 GLY C C 761 173.235 173.235 173.593 -0.358 17930 983 1 4 . 1 1 46 46 GLY CA C 761 45.272 45.272 44.772 0.500 17930 984 1 4 . 1 1 46 46 GLY H H 761 7.786 7.786 8.429 -0.643 17930 985 1 5 . 1 1 2 2 LEU N N 717 119.998 119.998 123.102 -3.104 17930 986 1 5 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.192 -0.062 17930 987 1 5 . 1 1 2 2 LEU C C 717 177.845 177.845 178.047 -0.202 17930 988 1 5 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.156 -0.482 17930 989 1 5 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.125 0.799 17930 990 1 5 . 1 1 2 2 LEU H H 717 7.838 7.838 8.024 -0.186 17930 991 1 5 . 1 1 3 3 LEU N N 718 118.244 118.244 116.431 1.813 17930 992 1 5 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.020 0.037 17930 993 1 5 . 1 1 3 3 LEU C C 718 177.838 177.838 178.399 -0.561 17930 994 1 5 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.418 -0.475 17930 995 1 5 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.509 0.297 17930 996 1 5 . 1 1 3 3 LEU H H 718 7.727 7.727 7.972 -0.245 17930 997 1 5 . 1 1 4 4 ILE N N 719 116.296 116.296 115.513 0.783 17930 998 1 5 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.108 -0.197 17930 999 1 5 . 1 1 4 4 ILE C C 719 176.887 176.887 178.147 -1.260 17930 1000 1 5 . 1 1 4 4 ILE CA C 719 62.960 62.960 63.377 -0.417 17930 1001 1 5 . 1 1 4 4 ILE CB C 719 38.219 38.219 38.646 -0.427 17930 1002 1 5 . 1 1 4 4 ILE H H 719 7.738 7.738 7.662 0.076 17930 1003 1 5 . 1 1 5 5 THR N N 720 114.599 114.599 117.664 -3.065 17930 1004 1 5 . 1 1 5 5 THR HA H 720 4.161 4.161 4.163 -0.002 17930 1005 1 5 . 1 1 5 5 THR C C 720 175.578 175.578 176.338 -0.760 17930 1006 1 5 . 1 1 5 5 THR CA C 720 64.390 64.390 65.486 -1.096 17930 1007 1 5 . 1 1 5 5 THR CB C 720 69.027 69.027 68.199 0.828 17930 1008 1 5 . 1 1 5 5 THR H H 720 7.803 7.803 7.936 -0.133 17930 1009 1 5 . 1 1 6 6 ILE N N 721 119.767 119.767 121.746 -1.979 17930 1010 1 5 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.571 0.338 17930 1011 1 5 . 1 1 6 6 ILE C C 721 176.119 176.119 177.418 -1.299 17930 1012 1 5 . 1 1 6 6 ILE CA C 721 63.025 63.025 65.824 -2.799 17930 1013 1 5 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.523 0.611 17930 1014 1 5 . 1 1 6 6 ILE H H 721 7.786 7.786 7.804 -0.018 17930 1015 1 5 . 1 1 7 7 HIS N N 722 118.437 118.437 119.466 -1.029 17930 1016 1 5 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.220 0.395 17930 1017 1 5 . 1 1 7 7 HIS CA C 722 57.344 57.344 60.705 -3.361 17930 1018 1 5 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.132 -0.757 17930 1019 1 5 . 1 1 7 7 HIS H H 722 8.134 8.134 7.783 0.351 17930 1020 1 5 . 1 1 8 8 ASP N N 723 118.080 118.080 119.447 -1.367 17930 1021 1 5 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.579 0.015 17930 1022 1 5 . 1 1 8 8 ASP C C 723 176.711 176.711 178.101 -1.390 17930 1023 1 5 . 1 1 8 8 ASP CA C 723 54.176 54.176 58.167 -3.991 17930 1024 1 5 . 1 1 8 8 ASP CB C 723 41.480 41.480 40.568 0.912 17930 1025 1 5 . 1 1 8 8 ASP H H 723 8.025 8.025 7.941 0.084 17930 1026 1 5 . 1 1 9 9 ARG N N 724 120.693 120.693 120.436 0.257 17930 1027 1 5 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.006 0.198 17930 1028 1 5 . 1 1 9 9 ARG C C 724 177.662 177.662 177.938 -0.276 17930 1029 1 5 . 1 1 9 9 ARG CA C 724 56.819 56.819 59.216 -2.397 17930 1030 1 5 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.261 2.442 17930 1031 1 5 . 1 1 9 9 ARG H H 724 8.219 8.219 8.311 -0.092 17930 1032 1 5 . 1 1 10 10 LYS N N 725 121.792 121.792 117.149 4.643 17930 1033 1 5 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.147 -0.007 17930 1034 1 5 . 1 1 10 10 LYS C C 725 178.127 178.127 178.809 -0.682 17930 1035 1 5 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.304 -0.667 17930 1036 1 5 . 1 1 10 10 LYS CB C 725 32.190 32.190 32.034 0.156 17930 1037 1 5 . 1 1 10 10 LYS H H 725 8.493 8.493 7.624 0.869 17930 1038 1 5 . 1 1 11 11 GLU N N 726 119.285 119.285 118.894 0.391 17930 1039 1 5 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.088 0.008 17930 1040 1 5 . 1 1 11 11 GLU C C 726 177.688 177.688 178.497 -0.809 17930 1041 1 5 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.973 -0.567 17930 1042 1 5 . 1 1 11 11 GLU CB C 726 29.340 29.340 29.981 -0.641 17930 1043 1 5 . 1 1 11 11 GLU H H 726 8.716 8.716 8.228 0.488 17930 1044 1 5 . 1 1 12 12 PHE N N 727 118.784 118.784 119.827 -1.043 17930 1045 1 5 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.404 -0.026 17930 1046 1 5 . 1 1 12 12 PHE C C 727 176.358 176.358 176.948 -0.590 17930 1047 1 5 . 1 1 12 12 PHE CA C 727 59.332 59.332 60.053 -0.721 17930 1048 1 5 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.713 -0.553 17930 1049 1 5 . 1 1 12 12 PHE H H 727 7.906 7.906 7.899 0.007 17930 1050 1 5 . 1 1 13 13 ALA N N 728 122.197 122.197 121.871 0.326 17930 1051 1 5 . 1 1 13 13 ALA HA H 728 4.158 4.158 3.984 0.174 17930 1052 1 5 . 1 1 13 13 ALA C C 728 178.513 178.513 179.146 -0.633 17930 1053 1 5 . 1 1 13 13 ALA CA C 728 54.083 54.083 55.259 -1.176 17930 1054 1 5 . 1 1 13 13 ALA CB C 728 18.496 18.496 18.160 0.336 17930 1055 1 5 . 1 1 13 13 ALA H H 728 7.951 7.951 8.660 -0.709 17930 1056 1 5 . 1 1 14 14 LYS N N 729 117.742 117.742 117.870 -0.128 17930 1057 1 5 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.026 0.070 17930 1058 1 5 . 1 1 14 14 LYS C C 729 177.562 177.562 178.803 -1.241 17930 1059 1 5 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.496 -1.566 17930 1060 1 5 . 1 1 14 14 LYS CB C 729 30.515 30.515 32.028 -1.513 17930 1061 1 5 . 1 1 14 14 LYS H H 729 7.814 7.814 8.032 -0.218 17930 1062 1 5 . 1 1 15 15 PHE N N 730 119.960 119.960 120.578 -0.618 17930 1063 1 5 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.262 0.117 17930 1064 1 5 . 1 1 15 15 PHE C C 730 176.706 176.706 176.950 -0.244 17930 1065 1 5 . 1 1 15 15 PHE CA C 730 59.753 59.753 60.580 -0.827 17930 1066 1 5 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.856 -0.846 17930 1067 1 5 . 1 1 15 15 PHE H H 730 7.900 7.900 7.863 0.037 17930 1068 1 5 . 1 1 16 16 GLU N N 731 119.516 119.516 118.415 1.101 17930 1069 1 5 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.848 0.217 17930 1070 1 5 . 1 1 16 16 GLU C C 731 177.892 177.892 178.717 -0.825 17930 1071 1 5 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.028 -1.203 17930 1072 1 5 . 1 1 16 16 GLU CB C 731 29.349 29.349 29.002 0.347 17930 1073 1 5 . 1 1 16 16 GLU H H 731 8.174 8.174 7.828 0.346 17930 1074 1 5 . 1 1 17 17 GLU N N 732 120.577 120.577 119.425 1.152 17930 1075 1 5 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.973 0.077 17930 1076 1 5 . 1 1 17 17 GLU C C 732 178.077 178.077 179.095 -1.018 17930 1077 1 5 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.358 -1.051 17930 1078 1 5 . 1 1 17 17 GLU CB C 732 29.388 29.388 28.874 0.514 17930 1079 1 5 . 1 1 17 17 GLU H H 732 8.145 8.145 8.763 -0.618 17930 1080 1 5 . 1 1 18 18 GLU N N 733 119.573 119.573 118.793 0.780 17930 1081 1 5 . 1 1 18 18 GLU HA H 733 4.056 4.056 3.964 0.092 17930 1082 1 5 . 1 1 18 18 GLU C C 733 177.346 177.346 178.591 -1.245 17930 1083 1 5 . 1 1 18 18 GLU CA C 733 58.298 58.298 59.067 -0.769 17930 1084 1 5 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.131 0.316 17930 1085 1 5 . 1 1 18 18 GLU H H 733 8.152 8.152 7.625 0.527 17930 1086 1 5 . 1 1 19 19 ARG N N 734 118.803 118.803 117.056 1.747 17930 1087 1 5 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.255 -0.223 17930 1088 1 5 . 1 1 19 19 ARG C C 734 177.328 177.328 177.990 -0.662 17930 1089 1 5 . 1 1 19 19 ARG CA C 734 58.397 58.397 56.980 1.417 17930 1090 1 5 . 1 1 19 19 ARG CB C 734 32.170 32.170 29.999 2.171 17930 1091 1 5 . 1 1 19 19 ARG H H 734 8.008 8.008 7.484 0.524 17930 1092 1 5 . 1 1 20 20 ALA N N 735 121.734 121.734 122.295 -0.561 17930 1093 1 5 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.074 0.061 17930 1094 1 5 . 1 1 20 20 ALA C C 735 178.936 178.936 178.915 0.021 17930 1095 1 5 . 1 1 20 20 ALA CA C 735 53.546 53.546 55.328 -1.782 17930 1096 1 5 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.871 -0.224 17930 1097 1 5 . 1 1 20 20 ALA H H 735 7.877 7.877 8.622 -0.745 17930 1098 1 5 . 1 1 21 21 ARG N N 736 118.070 118.070 118.341 -0.271 17930 1099 1 5 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.196 -0.086 17930 1100 1 5 . 1 1 21 21 ARG C C 736 176.675 176.675 178.054 -1.379 17930 1101 1 5 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.251 -1.514 17930 1102 1 5 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.369 0.204 17930 1103 1 5 . 1 1 21 21 ARG H H 736 7.854 7.854 8.425 -0.571 17930 1104 1 5 . 1 1 22 22 ALA N N 737 122.582 122.582 119.876 2.706 17930 1105 1 5 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.202 -0.051 17930 1106 1 5 . 1 1 22 22 ALA C C 737 177.676 177.676 177.999 -0.323 17930 1107 1 5 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.092 -1.366 17930 1108 1 5 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.548 0.243 17930 1109 1 5 . 1 1 22 22 ALA H H 737 7.809 7.809 8.091 -0.282 17930 1110 1 5 . 1 1 23 23 LYS N N 738 118.494 118.494 115.303 3.191 17930 1111 1 5 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.299 -0.140 17930 1112 1 5 . 1 1 23 23 LYS C C 738 176.523 176.523 176.633 -0.110 17930 1113 1 5 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.949 -0.481 17930 1114 1 5 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.477 -2.851 17930 1115 1 5 . 1 1 23 23 LYS H H 738 7.854 7.854 7.520 0.334 17930 1116 1 5 . 1 1 24 24 TRP N N 739 120.538 120.538 121.219 -0.681 17930 1117 1 5 . 1 1 24 24 TRP HA H 739 4.599 4.599 4.989 -0.390 17930 1118 1 5 . 1 1 24 24 TRP C C 739 175.937 175.937 175.304 0.633 17930 1119 1 5 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.167 0.765 17930 1120 1 5 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.607 -0.085 17930 1121 1 5 . 1 1 24 24 TRP H H 739 7.967 7.967 8.775 -0.808 17930 1122 1 5 . 1 1 25 25 ASP N N 740 121.078 121.078 120.489 0.589 17930 1123 1 5 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.329 -0.176 17930 1124 1 5 . 1 1 25 25 ASP C C 740 176.659 176.659 177.477 -0.818 17930 1125 1 5 . 1 1 25 25 ASP CA C 740 54.127 54.127 57.629 -3.502 17930 1126 1 5 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.341 0.685 17930 1127 1 5 . 1 1 25 25 ASP H H 740 8.219 8.219 8.100 0.119 17930 1128 1 5 . 1 1 26 26 THR N N 741 113.655 113.655 113.002 0.653 17930 1129 1 5 . 1 1 26 26 THR HA H 741 4.221 4.221 4.181 0.040 17930 1130 1 5 . 1 1 26 26 THR C C 741 174.807 174.807 174.510 0.297 17930 1131 1 5 . 1 1 26 26 THR CA C 741 62.439 62.439 63.474 -1.035 17930 1132 1 5 . 1 1 26 26 THR CB C 741 69.255 69.255 68.888 0.367 17930 1133 1 5 . 1 1 26 26 THR H H 741 7.946 7.946 8.226 -0.280 17930 1134 1 5 . 1 1 27 27 ALA N N 742 124.530 124.530 121.653 2.877 17930 1135 1 5 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.555 -0.362 17930 1136 1 5 . 1 1 27 27 ALA C C 742 177.516 177.516 178.667 -1.151 17930 1137 1 5 . 1 1 27 27 ALA CA C 742 52.937 52.937 53.476 -0.539 17930 1138 1 5 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.673 -0.699 17930 1139 1 5 . 1 1 27 27 ALA H H 742 8.116 8.116 7.886 0.230 17930 1140 1 5 . 1 1 28 28 ASN N N 743 116.065 116.065 116.498 -0.433 17930 1141 1 5 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.783 -0.184 17930 1142 1 5 . 1 1 28 28 ASN C C 743 174.308 174.308 175.523 -1.215 17930 1143 1 5 . 1 1 28 28 ASN CA C 743 52.868 52.868 54.061 -1.193 17930 1144 1 5 . 1 1 28 28 ASN CB C 743 39.097 39.097 40.452 -1.355 17930 1145 1 5 . 1 1 28 28 ASN H H 743 8.048 8.048 8.312 -0.264 17930 1146 1 5 . 1 1 29 29 ASN N N 744 119.536 119.536 119.819 -0.283 17930 1147 1 5 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.218 -0.610 17930 1148 1 5 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.614 0.326 17930 1149 1 5 . 1 1 29 29 ASN CB C 744 38.799 38.799 39.763 -0.964 17930 1150 1 5 . 1 1 29 29 ASN H H 744 8.031 8.031 7.782 0.249 17930 1151 1 5 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.366 0.006 17930 1152 1 5 . 1 1 30 30 PRO C C 745 177.161 177.161 176.215 0.946 17930 1153 1 5 . 1 1 30 30 PRO CA C 745 63.583 63.583 63.990 -0.407 17930 1154 1 5 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.127 -0.186 17930 1155 1 5 . 1 1 34 34 GLU N N 749 121.102 121.102 120.952 0.150 17930 1156 1 5 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.136 0.070 17930 1157 1 5 . 1 1 34 34 GLU C C 749 176.842 176.842 177.795 -0.953 17930 1158 1 5 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.760 -2.062 17930 1159 1 5 . 1 1 34 34 GLU CB C 749 29.905 29.905 29.628 0.277 17930 1160 1 5 . 1 1 34 34 GLU H H 749 8.216 8.216 8.936 -0.720 17930 1161 1 5 . 1 1 35 35 ALA N N 750 124.433 124.433 121.977 2.456 17930 1162 1 5 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.295 -0.020 17930 1163 1 5 . 1 1 35 35 ALA C C 750 178.080 178.080 179.064 -0.984 17930 1164 1 5 . 1 1 35 35 ALA CA C 750 53.212 53.212 53.882 -0.670 17930 1165 1 5 . 1 1 35 35 ALA CB C 750 19.060 19.060 18.286 0.774 17930 1166 1 5 . 1 1 35 35 ALA H H 750 8.339 8.339 7.897 0.442 17930 1167 1 5 . 1 1 36 36 THR N N 751 111.881 111.881 114.790 -2.909 17930 1168 1 5 . 1 1 36 36 THR HA H 751 4.225 4.225 4.052 0.173 17930 1169 1 5 . 1 1 36 36 THR C C 751 175.174 175.174 175.851 -0.677 17930 1170 1 5 . 1 1 36 36 THR CA C 751 62.508 62.508 66.144 -3.635 17930 1171 1 5 . 1 1 36 36 THR CB C 751 69.600 69.600 68.510 1.090 17930 1172 1 5 . 1 1 36 36 THR H H 751 8.008 8.008 7.960 0.048 17930 1173 1 5 . 1 1 37 37 SER N N 752 117.588 117.588 113.789 3.799 17930 1174 1 5 . 1 1 37 37 SER HA H 752 4.567 4.567 4.537 0.030 17930 1175 1 5 . 1 1 37 37 SER C C 752 174.988 174.988 175.244 -0.256 17930 1176 1 5 . 1 1 37 37 SER CA C 752 58.856 58.856 60.397 -1.541 17930 1177 1 5 . 1 1 37 37 SER CB C 752 63.705 63.705 63.716 -0.011 17930 1178 1 5 . 1 1 37 37 SER H H 752 8.168 8.168 7.583 0.585 17930 1179 1 5 . 1 1 38 38 THR N N 753 116.798 116.798 114.499 2.299 17930 1180 1 5 . 1 1 38 38 THR HA H 753 4.126 4.126 4.232 -0.106 17930 1181 1 5 . 1 1 38 38 THR C C 753 174.719 174.719 173.980 0.739 17930 1182 1 5 . 1 1 38 38 THR CA C 753 62.889 62.889 63.164 -0.275 17930 1183 1 5 . 1 1 38 38 THR CB C 753 69.276 69.276 69.332 -0.056 17930 1184 1 5 . 1 1 38 38 THR H H 753 8.105 8.105 7.525 0.580 17930 1185 1 5 . 1 1 39 39 PHE N N 754 120.288 120.288 119.607 0.681 17930 1186 1 5 . 1 1 39 39 PHE HA H 754 4.567 4.567 5.007 -0.440 17930 1187 1 5 . 1 1 39 39 PHE C C 754 175.953 175.953 175.481 0.472 17930 1188 1 5 . 1 1 39 39 PHE CA C 754 58.289 58.289 56.185 2.104 17930 1189 1 5 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.538 -1.326 17930 1190 1 5 . 1 1 39 39 PHE H H 754 8.213 8.213 7.943 0.270 17930 1191 1 5 . 1 1 40 40 THR N N 755 113.153 113.153 113.658 -0.505 17930 1192 1 5 . 1 1 40 40 THR HA H 755 4.159 4.159 4.385 -0.226 17930 1193 1 5 . 1 1 40 40 THR C C 755 174.225 174.225 174.108 0.117 17930 1194 1 5 . 1 1 40 40 THR CA C 755 62.446 62.446 62.512 -0.066 17930 1195 1 5 . 1 1 40 40 THR CB C 755 69.403 69.403 69.688 -0.285 17930 1196 1 5 . 1 1 40 40 THR H H 755 7.871 7.871 8.337 -0.466 17930 1197 1 5 . 1 1 41 41 ASN N N 756 119.863 119.863 118.028 1.835 17930 1198 1 5 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.912 -0.313 17930 1199 1 5 . 1 1 41 41 ASN C C 756 175.231 175.231 173.623 1.608 17930 1200 1 5 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.657 -0.032 17930 1201 1 5 . 1 1 41 41 ASN CB C 756 38.852 38.852 39.794 -0.942 17930 1202 1 5 . 1 1 41 41 ASN H H 756 8.213 8.213 7.980 0.233 17930 1203 1 5 . 1 1 42 42 ILE N N 757 119.671 119.671 122.575 -2.904 17930 1204 1 5 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.488 -0.355 17930 1205 1 5 . 1 1 42 42 ILE C C 757 175.709 175.709 176.366 -0.657 17930 1206 1 5 . 1 1 42 42 ILE CA C 757 61.607 61.607 59.819 1.788 17930 1207 1 5 . 1 1 42 42 ILE CB C 757 38.445 38.445 40.599 -2.154 17930 1208 1 5 . 1 1 42 42 ILE H H 757 7.860 7.860 7.949 -0.089 17930 1209 1 5 . 1 1 43 43 THR N N 758 115.737 115.737 116.010 -0.273 17930 1210 1 5 . 1 1 43 43 THR HA H 758 4.276 4.276 4.078 0.198 17930 1211 1 5 . 1 1 43 43 THR C C 758 173.978 173.978 174.995 -1.017 17930 1212 1 5 . 1 1 43 43 THR CA C 758 61.620 61.620 65.089 -3.469 17930 1213 1 5 . 1 1 43 43 THR CB C 758 69.640 69.640 68.901 0.739 17930 1214 1 5 . 1 1 43 43 THR H H 758 7.929 7.929 8.293 -0.364 17930 1215 1 5 . 1 1 44 44 TYR N N 759 122.351 122.351 119.544 2.807 17930 1216 1 5 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.720 -0.153 17930 1217 1 5 . 1 1 44 44 TYR C C 759 175.349 175.349 175.813 -0.464 17930 1218 1 5 . 1 1 44 44 TYR CA C 759 57.894 57.894 58.843 -0.949 17930 1219 1 5 . 1 1 44 44 TYR CB C 759 38.782 38.782 39.015 -0.233 17930 1220 1 5 . 1 1 44 44 TYR H H 759 8.048 8.048 7.602 0.446 17930 1221 1 5 . 1 1 45 45 ARG N N 760 122.717 122.717 115.837 6.880 17930 1222 1 5 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.086 0.180 17930 1223 1 5 . 1 1 45 45 ARG C C 760 176.141 176.141 175.395 0.746 17930 1224 1 5 . 1 1 45 45 ARG CA C 760 55.718 55.718 57.710 -1.992 17930 1225 1 5 . 1 1 45 45 ARG CB C 760 30.828 30.828 29.351 1.477 17930 1226 1 5 . 1 1 45 45 ARG H H 760 8.111 8.111 8.583 -0.472 17930 1227 1 5 . 1 1 46 46 GLY N N 761 109.046 109.046 102.864 6.182 17930 1228 1 5 . 1 1 46 46 GLY C C 761 173.235 173.235 173.309 -0.074 17930 1229 1 5 . 1 1 46 46 GLY CA C 761 45.272 45.272 45.264 0.008 17930 1230 1 5 . 1 1 46 46 GLY H H 761 7.786 7.786 8.064 -0.278 17930 1231 1 6 . 1 1 2 2 LEU N N 717 119.998 119.998 123.919 -3.921 17930 1232 1 6 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.161 -0.031 17930 1233 1 6 . 1 1 2 2 LEU C C 717 177.845 177.845 177.933 -0.088 17930 1234 1 6 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.578 -0.904 17930 1235 1 6 . 1 1 2 2 LEU CB C 717 41.924 41.924 40.846 1.078 17930 1236 1 6 . 1 1 2 2 LEU H H 717 7.838 7.838 8.013 -0.175 17930 1237 1 6 . 1 1 3 3 LEU N N 718 118.244 118.244 112.695 5.549 17930 1238 1 6 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.165 -0.108 17930 1239 1 6 . 1 1 3 3 LEU C C 718 177.838 177.838 177.408 0.430 17930 1240 1 6 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.401 -0.458 17930 1241 1 6 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.363 0.443 17930 1242 1 6 . 1 1 3 3 LEU H H 718 7.727 7.727 7.825 -0.098 17930 1243 1 6 . 1 1 4 4 ILE N N 719 116.296 116.296 116.595 -0.299 17930 1244 1 6 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.293 -0.382 17930 1245 1 6 . 1 1 4 4 ILE C C 719 176.887 176.887 178.255 -1.368 17930 1246 1 6 . 1 1 4 4 ILE CA C 719 62.960 62.960 61.319 1.641 17930 1247 1 6 . 1 1 4 4 ILE CB C 719 38.219 38.219 38.016 0.203 17930 1248 1 6 . 1 1 4 4 ILE H H 719 7.738 7.738 7.909 -0.171 17930 1249 1 6 . 1 1 5 5 THR N N 720 114.599 114.599 117.784 -3.185 17930 1250 1 6 . 1 1 5 5 THR HA H 720 4.161 4.161 4.197 -0.036 17930 1251 1 6 . 1 1 5 5 THR C C 720 175.578 175.578 176.526 -0.948 17930 1252 1 6 . 1 1 5 5 THR CA C 720 64.390 64.390 65.655 -1.265 17930 1253 1 6 . 1 1 5 5 THR CB C 720 69.027 69.027 68.261 0.766 17930 1254 1 6 . 1 1 5 5 THR H H 720 7.803 7.803 8.211 -0.408 17930 1255 1 6 . 1 1 6 6 ILE N N 721 119.767 119.767 121.440 -1.673 17930 1256 1 6 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.583 0.326 17930 1257 1 6 . 1 1 6 6 ILE C C 721 176.119 176.119 177.335 -1.216 17930 1258 1 6 . 1 1 6 6 ILE CA C 721 63.025 63.025 65.594 -2.569 17930 1259 1 6 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.562 0.572 17930 1260 1 6 . 1 1 6 6 ILE H H 721 7.786 7.786 7.665 0.121 17930 1261 1 6 . 1 1 7 7 HIS N N 722 118.437 118.437 118.904 -0.467 17930 1262 1 6 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.201 0.414 17930 1263 1 6 . 1 1 7 7 HIS CA C 722 57.344 57.344 59.975 -2.631 17930 1264 1 6 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.052 -0.677 17930 1265 1 6 . 1 1 7 7 HIS H H 722 8.134 8.134 7.690 0.444 17930 1266 1 6 . 1 1 8 8 ASP N N 723 118.080 118.080 117.836 0.244 17930 1267 1 6 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.645 -0.051 17930 1268 1 6 . 1 1 8 8 ASP C C 723 176.711 176.711 178.215 -1.504 17930 1269 1 6 . 1 1 8 8 ASP CA C 723 54.176 54.176 56.781 -2.604 17930 1270 1 6 . 1 1 8 8 ASP CB C 723 41.480 41.480 40.727 0.753 17930 1271 1 6 . 1 1 8 8 ASP H H 723 8.025 8.025 7.895 0.130 17930 1272 1 6 . 1 1 9 9 ARG N N 724 120.693 120.693 120.534 0.159 17930 1273 1 6 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.084 0.120 17930 1274 1 6 . 1 1 9 9 ARG C C 724 177.662 177.662 178.159 -0.497 17930 1275 1 6 . 1 1 9 9 ARG CA C 724 56.819 56.819 58.918 -2.099 17930 1276 1 6 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.141 2.562 17930 1277 1 6 . 1 1 9 9 ARG H H 724 8.219 8.219 8.223 -0.004 17930 1278 1 6 . 1 1 10 10 LYS N N 725 121.792 121.792 118.107 3.685 17930 1279 1 6 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.185 -0.045 17930 1280 1 6 . 1 1 10 10 LYS C C 725 178.127 178.127 178.444 -0.317 17930 1281 1 6 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.358 -0.721 17930 1282 1 6 . 1 1 10 10 LYS CB C 725 32.190 32.190 32.076 0.114 17930 1283 1 6 . 1 1 10 10 LYS H H 725 8.493 8.493 7.556 0.937 17930 1284 1 6 . 1 1 11 11 GLU N N 726 119.285 119.285 118.654 0.631 17930 1285 1 6 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.144 -0.048 17930 1286 1 6 . 1 1 11 11 GLU C C 726 177.688 177.688 178.884 -1.196 17930 1287 1 6 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.919 -0.513 17930 1288 1 6 . 1 1 11 11 GLU CB C 726 29.340 29.340 30.092 -0.752 17930 1289 1 6 . 1 1 11 11 GLU H H 726 8.716 8.716 7.400 1.316 17930 1290 1 6 . 1 1 12 12 PHE N N 727 118.784 118.784 119.502 -0.718 17930 1291 1 6 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.383 -0.005 17930 1292 1 6 . 1 1 12 12 PHE C C 727 176.358 176.358 176.873 -0.515 17930 1293 1 6 . 1 1 12 12 PHE CA C 727 59.332 59.332 60.013 -0.681 17930 1294 1 6 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.639 -0.479 17930 1295 1 6 . 1 1 12 12 PHE H H 727 7.906 7.906 8.238 -0.332 17930 1296 1 6 . 1 1 13 13 ALA N N 728 122.197 122.197 121.376 0.821 17930 1297 1 6 . 1 1 13 13 ALA HA H 728 4.158 4.158 3.664 0.494 17930 1298 1 6 . 1 1 13 13 ALA C C 728 178.513 178.513 179.011 -0.498 17930 1299 1 6 . 1 1 13 13 ALA CA C 728 54.083 54.083 55.042 -0.959 17930 1300 1 6 . 1 1 13 13 ALA CB C 728 18.496 18.496 17.918 0.578 17930 1301 1 6 . 1 1 13 13 ALA H H 728 7.951 7.951 8.127 -0.176 17930 1302 1 6 . 1 1 14 14 LYS N N 729 117.742 117.742 119.011 -1.269 17930 1303 1 6 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.049 0.047 17930 1304 1 6 . 1 1 14 14 LYS C C 729 177.562 177.562 178.550 -0.988 17930 1305 1 6 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.157 -1.227 17930 1306 1 6 . 1 1 14 14 LYS CB C 729 30.515 30.515 31.812 -1.297 17930 1307 1 6 . 1 1 14 14 LYS H H 729 7.814 7.814 7.996 -0.182 17930 1308 1 6 . 1 1 15 15 PHE N N 730 119.960 119.960 119.765 0.195 17930 1309 1 6 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.470 -0.091 17930 1310 1 6 . 1 1 15 15 PHE C C 730 176.706 176.706 177.322 -0.616 17930 1311 1 6 . 1 1 15 15 PHE CA C 730 59.753 59.753 61.132 -1.379 17930 1312 1 6 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.681 -0.671 17930 1313 1 6 . 1 1 15 15 PHE H H 730 7.900 7.900 7.887 0.013 17930 1314 1 6 . 1 1 16 16 GLU N N 731 119.516 119.516 118.322 1.194 17930 1315 1 6 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.926 0.139 17930 1316 1 6 . 1 1 16 16 GLU C C 731 177.892 177.892 178.723 -0.831 17930 1317 1 6 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.170 -1.345 17930 1318 1 6 . 1 1 16 16 GLU CB C 731 29.349 29.349 29.043 0.306 17930 1319 1 6 . 1 1 16 16 GLU H H 731 8.174 8.174 7.669 0.505 17930 1320 1 6 . 1 1 17 17 GLU N N 732 120.577 120.577 120.136 0.441 17930 1321 1 6 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.930 0.120 17930 1322 1 6 . 1 1 17 17 GLU C C 732 178.077 178.077 179.043 -0.966 17930 1323 1 6 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.314 -1.007 17930 1324 1 6 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.337 0.051 17930 1325 1 6 . 1 1 17 17 GLU H H 732 8.145 8.145 8.636 -0.491 17930 1326 1 6 . 1 1 18 18 GLU N N 733 119.573 119.573 118.706 0.867 17930 1327 1 6 . 1 1 18 18 GLU HA H 733 4.056 4.056 3.972 0.084 17930 1328 1 6 . 1 1 18 18 GLU C C 733 177.346 177.346 177.983 -0.637 17930 1329 1 6 . 1 1 18 18 GLU CA C 733 58.298 58.298 59.024 -0.726 17930 1330 1 6 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.228 0.219 17930 1331 1 6 . 1 1 18 18 GLU H H 733 8.152 8.152 7.521 0.631 17930 1332 1 6 . 1 1 19 19 ARG N N 734 118.803 118.803 118.468 0.335 17930 1333 1 6 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.246 -0.214 17930 1334 1 6 . 1 1 19 19 ARG C C 734 177.328 177.328 178.458 -1.130 17930 1335 1 6 . 1 1 19 19 ARG CA C 734 58.397 58.397 57.680 0.717 17930 1336 1 6 . 1 1 19 19 ARG CB C 734 32.170 32.170 30.365 1.805 17930 1337 1 6 . 1 1 19 19 ARG H H 734 8.008 8.008 7.472 0.536 17930 1338 1 6 . 1 1 20 20 ALA N N 735 121.734 121.734 122.910 -1.176 17930 1339 1 6 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.179 -0.044 17930 1340 1 6 . 1 1 20 20 ALA C C 735 178.936 178.936 179.038 -0.102 17930 1341 1 6 . 1 1 20 20 ALA CA C 735 53.546 53.546 55.049 -1.503 17930 1342 1 6 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.649 -0.002 17930 1343 1 6 . 1 1 20 20 ALA H H 735 7.877 7.877 8.589 -0.712 17930 1344 1 6 . 1 1 21 21 ARG N N 736 118.070 118.070 117.879 0.191 17930 1345 1 6 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.263 -0.153 17930 1346 1 6 . 1 1 21 21 ARG C C 736 176.675 176.675 177.477 -0.802 17930 1347 1 6 . 1 1 21 21 ARG CA C 736 56.737 56.737 57.714 -0.977 17930 1348 1 6 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.356 0.217 17930 1349 1 6 . 1 1 21 21 ARG H H 736 7.854 7.854 8.397 -0.543 17930 1350 1 6 . 1 1 22 22 ALA N N 737 122.582 122.582 120.584 1.998 17930 1351 1 6 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.217 -0.066 17930 1352 1 6 . 1 1 22 22 ALA C C 737 177.676 177.676 178.242 -0.566 17930 1353 1 6 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.014 -1.288 17930 1354 1 6 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.804 -0.013 17930 1355 1 6 . 1 1 22 22 ALA H H 737 7.809 7.809 7.462 0.347 17930 1356 1 6 . 1 1 23 23 LYS N N 738 118.494 118.494 117.093 1.401 17930 1357 1 6 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.331 -0.172 17930 1358 1 6 . 1 1 23 23 LYS C C 738 176.523 176.523 176.351 0.172 17930 1359 1 6 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.843 -0.375 17930 1360 1 6 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.110 -2.484 17930 1361 1 6 . 1 1 23 23 LYS H H 738 7.854 7.854 7.599 0.255 17930 1362 1 6 . 1 1 24 24 TRP N N 739 120.538 120.538 121.789 -1.251 17930 1363 1 6 . 1 1 24 24 TRP HA H 739 4.599 4.599 5.026 -0.427 17930 1364 1 6 . 1 1 24 24 TRP C C 739 175.937 175.937 175.644 0.293 17930 1365 1 6 . 1 1 24 24 TRP CA C 739 56.932 56.932 55.550 1.382 17930 1366 1 6 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.534 -0.012 17930 1367 1 6 . 1 1 24 24 TRP H H 739 7.967 7.967 8.697 -0.730 17930 1368 1 6 . 1 1 25 25 ASP N N 740 121.078 121.078 120.526 0.552 17930 1369 1 6 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.347 -0.194 17930 1370 1 6 . 1 1 25 25 ASP C C 740 176.659 176.659 177.587 -0.928 17930 1371 1 6 . 1 1 25 25 ASP CA C 740 54.127 54.127 57.333 -3.206 17930 1372 1 6 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.215 0.811 17930 1373 1 6 . 1 1 25 25 ASP H H 740 8.219 8.219 8.419 -0.200 17930 1374 1 6 . 1 1 26 26 THR N N 741 113.655 113.655 113.218 0.437 17930 1375 1 6 . 1 1 26 26 THR HA H 741 4.221 4.221 4.430 -0.209 17930 1376 1 6 . 1 1 26 26 THR C C 741 174.807 174.807 174.789 0.018 17930 1377 1 6 . 1 1 26 26 THR CA C 741 62.439 62.439 63.511 -1.072 17930 1378 1 6 . 1 1 26 26 THR CB C 741 69.255 69.255 68.565 0.690 17930 1379 1 6 . 1 1 26 26 THR H H 741 7.946 7.946 8.158 -0.212 17930 1380 1 6 . 1 1 27 27 ALA N N 742 124.530 124.530 123.574 0.956 17930 1381 1 6 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.402 -0.209 17930 1382 1 6 . 1 1 27 27 ALA C C 742 177.516 177.516 179.177 -1.661 17930 1383 1 6 . 1 1 27 27 ALA CA C 742 52.937 52.937 54.218 -1.281 17930 1384 1 6 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.026 -0.052 17930 1385 1 6 . 1 1 27 27 ALA H H 742 8.116 8.116 7.768 0.348 17930 1386 1 6 . 1 1 28 28 ASN N N 743 116.065 116.065 115.695 0.370 17930 1387 1 6 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.668 -0.069 17930 1388 1 6 . 1 1 28 28 ASN C C 743 174.308 174.308 175.002 -0.694 17930 1389 1 6 . 1 1 28 28 ASN CA C 743 52.868 52.868 55.244 -2.376 17930 1390 1 6 . 1 1 28 28 ASN CB C 743 39.097 39.097 39.852 -0.755 17930 1391 1 6 . 1 1 28 28 ASN H H 743 8.048 8.048 8.455 -0.407 17930 1392 1 6 . 1 1 29 29 ASN N N 744 119.536 119.536 117.531 2.005 17930 1393 1 6 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.145 -0.537 17930 1394 1 6 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.889 0.051 17930 1395 1 6 . 1 1 29 29 ASN CB C 744 38.799 38.799 40.244 -1.445 17930 1396 1 6 . 1 1 29 29 ASN H H 744 8.031 8.031 7.627 0.404 17930 1397 1 6 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.378 -0.006 17930 1398 1 6 . 1 1 30 30 PRO C C 745 177.161 177.161 176.619 0.542 17930 1399 1 6 . 1 1 30 30 PRO CA C 745 63.583 63.583 64.130 -0.547 17930 1400 1 6 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.283 -0.342 17930 1401 1 6 . 1 1 34 34 GLU N N 749 121.102 121.102 121.257 -0.155 17930 1402 1 6 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.140 0.066 17930 1403 1 6 . 1 1 34 34 GLU C C 749 176.842 176.842 177.979 -1.137 17930 1404 1 6 . 1 1 34 34 GLU CA C 749 56.698 56.698 59.140 -2.442 17930 1405 1 6 . 1 1 34 34 GLU CB C 749 29.905 29.905 29.944 -0.039 17930 1406 1 6 . 1 1 34 34 GLU H H 749 8.216 8.216 8.815 -0.599 17930 1407 1 6 . 1 1 35 35 ALA N N 750 124.433 124.433 120.963 3.470 17930 1408 1 6 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.290 -0.015 17930 1409 1 6 . 1 1 35 35 ALA C C 750 178.080 178.080 179.115 -1.035 17930 1410 1 6 . 1 1 35 35 ALA CA C 750 53.212 53.212 55.318 -2.106 17930 1411 1 6 . 1 1 35 35 ALA CB C 750 19.060 19.060 18.213 0.847 17930 1412 1 6 . 1 1 35 35 ALA H H 750 8.339 8.339 8.666 -0.327 17930 1413 1 6 . 1 1 36 36 THR N N 751 111.881 111.881 108.937 2.944 17930 1414 1 6 . 1 1 36 36 THR HA H 751 4.225 4.225 4.077 0.148 17930 1415 1 6 . 1 1 36 36 THR C C 751 175.174 175.174 175.782 -0.608 17930 1416 1 6 . 1 1 36 36 THR CA C 751 62.508 62.508 64.552 -2.044 17930 1417 1 6 . 1 1 36 36 THR CB C 751 69.600 69.600 68.207 1.393 17930 1418 1 6 . 1 1 36 36 THR H H 751 8.008 8.008 8.244 -0.236 17930 1419 1 6 . 1 1 37 37 SER N N 752 117.588 117.588 114.864 2.724 17930 1420 1 6 . 1 1 37 37 SER HA H 752 4.567 4.567 4.595 -0.028 17930 1421 1 6 . 1 1 37 37 SER C C 752 174.988 174.988 175.043 -0.055 17930 1422 1 6 . 1 1 37 37 SER CA C 752 58.856 58.856 59.221 -0.365 17930 1423 1 6 . 1 1 37 37 SER CB C 752 63.705 63.705 64.520 -0.815 17930 1424 1 6 . 1 1 37 37 SER H H 752 8.168 8.168 7.662 0.506 17930 1425 1 6 . 1 1 38 38 THR N N 753 116.798 116.798 115.807 0.991 17930 1426 1 6 . 1 1 38 38 THR HA H 753 4.126 4.126 4.122 0.004 17930 1427 1 6 . 1 1 38 38 THR C C 753 174.719 174.719 174.309 0.410 17930 1428 1 6 . 1 1 38 38 THR CA C 753 62.889 62.889 64.768 -1.879 17930 1429 1 6 . 1 1 38 38 THR CB C 753 69.276 69.276 69.278 -0.003 17930 1430 1 6 . 1 1 38 38 THR H H 753 8.105 8.105 7.439 0.666 17930 1431 1 6 . 1 1 39 39 PHE N N 754 120.288 120.288 120.166 0.122 17930 1432 1 6 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.876 -0.309 17930 1433 1 6 . 1 1 39 39 PHE C C 754 175.953 175.953 176.502 -0.549 17930 1434 1 6 . 1 1 39 39 PHE CA C 754 58.289 58.289 55.711 2.578 17930 1435 1 6 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.406 -1.194 17930 1436 1 6 . 1 1 39 39 PHE H H 754 8.213 8.213 8.070 0.143 17930 1437 1 6 . 1 1 40 40 THR N N 755 113.153 113.153 114.293 -1.140 17930 1438 1 6 . 1 1 40 40 THR HA H 755 4.159 4.159 4.327 -0.168 17930 1439 1 6 . 1 1 40 40 THR C C 755 174.225 174.225 173.919 0.306 17930 1440 1 6 . 1 1 40 40 THR CA C 755 62.446 62.446 61.640 0.806 17930 1441 1 6 . 1 1 40 40 THR CB C 755 69.403 69.403 67.330 2.073 17930 1442 1 6 . 1 1 40 40 THR H H 755 7.871 7.871 8.529 -0.658 17930 1443 1 6 . 1 1 41 41 ASN N N 756 119.863 119.863 117.237 2.626 17930 1444 1 6 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.482 0.117 17930 1445 1 6 . 1 1 41 41 ASN C C 756 175.231 175.231 173.499 1.732 17930 1446 1 6 . 1 1 41 41 ASN CA C 756 53.625 53.625 54.233 -0.608 17930 1447 1 6 . 1 1 41 41 ASN CB C 756 38.852 38.852 38.757 0.096 17930 1448 1 6 . 1 1 41 41 ASN H H 756 8.213 8.213 7.691 0.522 17930 1449 1 6 . 1 1 42 42 ILE N N 757 119.671 119.671 119.338 0.333 17930 1450 1 6 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.453 -0.320 17930 1451 1 6 . 1 1 42 42 ILE C C 757 175.709 175.709 176.233 -0.524 17930 1452 1 6 . 1 1 42 42 ILE CA C 757 61.607 61.607 59.975 1.632 17930 1453 1 6 . 1 1 42 42 ILE CB C 757 38.445 38.445 40.066 -1.621 17930 1454 1 6 . 1 1 42 42 ILE H H 757 7.860 7.860 8.197 -0.337 17930 1455 1 6 . 1 1 43 43 THR N N 758 115.737 115.737 118.106 -2.369 17930 1456 1 6 . 1 1 43 43 THR HA H 758 4.276 4.276 4.192 0.084 17930 1457 1 6 . 1 1 43 43 THR C C 758 173.978 173.978 175.165 -1.187 17930 1458 1 6 . 1 1 43 43 THR CA C 758 61.620 61.620 64.418 -2.798 17930 1459 1 6 . 1 1 43 43 THR CB C 758 69.640 69.640 68.885 0.755 17930 1460 1 6 . 1 1 43 43 THR H H 758 7.929 7.929 8.319 -0.390 17930 1461 1 6 . 1 1 44 44 TYR N N 759 122.351 122.351 119.330 3.021 17930 1462 1 6 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.551 0.016 17930 1463 1 6 . 1 1 44 44 TYR C C 759 175.349 175.349 175.285 0.064 17930 1464 1 6 . 1 1 44 44 TYR CA C 759 57.894 57.894 58.788 -0.895 17930 1465 1 6 . 1 1 44 44 TYR CB C 759 38.782 38.782 38.634 0.148 17930 1466 1 6 . 1 1 44 44 TYR H H 759 8.048 8.048 7.481 0.567 17930 1467 1 6 . 1 1 45 45 ARG N N 760 122.717 122.717 120.994 1.723 17930 1468 1 6 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.100 0.166 17930 1469 1 6 . 1 1 45 45 ARG C C 760 176.141 176.141 175.467 0.674 17930 1470 1 6 . 1 1 45 45 ARG CA C 760 55.718 55.718 56.913 -1.195 17930 1471 1 6 . 1 1 45 45 ARG CB C 760 30.828 30.828 29.148 1.680 17930 1472 1 6 . 1 1 45 45 ARG H H 760 8.111 8.111 8.270 -0.159 17930 1473 1 6 . 1 1 46 46 GLY N N 761 109.046 109.046 106.640 2.406 17930 1474 1 6 . 1 1 46 46 GLY C C 761 173.235 173.235 172.791 0.444 17930 1475 1 6 . 1 1 46 46 GLY CA C 761 45.272 45.272 45.186 0.086 17930 1476 1 6 . 1 1 46 46 GLY H H 761 7.786 7.786 8.314 -0.528 17930 1477 1 7 . 1 1 2 2 LEU N N 717 119.998 119.998 123.547 -3.549 17930 1478 1 7 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.290 -0.160 17930 1479 1 7 . 1 1 2 2 LEU C C 717 177.845 177.845 177.594 0.251 17930 1480 1 7 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.309 -0.635 17930 1481 1 7 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.261 0.663 17930 1482 1 7 . 1 1 2 2 LEU H H 717 7.838 7.838 7.872 -0.034 17930 1483 1 7 . 1 1 3 3 LEU N N 718 118.244 118.244 115.188 3.056 17930 1484 1 7 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.129 -0.072 17930 1485 1 7 . 1 1 3 3 LEU C C 718 177.838 177.838 178.118 -0.280 17930 1486 1 7 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.659 -0.716 17930 1487 1 7 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.190 0.616 17930 1488 1 7 . 1 1 3 3 LEU H H 718 7.727 7.727 8.030 -0.303 17930 1489 1 7 . 1 1 4 4 ILE N N 719 116.296 116.296 116.971 -0.675 17930 1490 1 7 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.005 -0.094 17930 1491 1 7 . 1 1 4 4 ILE C C 719 176.887 176.887 177.993 -1.106 17930 1492 1 7 . 1 1 4 4 ILE CA C 719 62.960 62.960 63.706 -0.746 17930 1493 1 7 . 1 1 4 4 ILE CB C 719 38.219 38.219 37.943 0.276 17930 1494 1 7 . 1 1 4 4 ILE H H 719 7.738 7.738 7.389 0.349 17930 1495 1 7 . 1 1 5 5 THR N N 720 114.599 114.599 116.710 -2.111 17930 1496 1 7 . 1 1 5 5 THR HA H 720 4.161 4.161 4.103 0.058 17930 1497 1 7 . 1 1 5 5 THR C C 720 175.578 175.578 176.625 -1.047 17930 1498 1 7 . 1 1 5 5 THR CA C 720 64.390 64.390 66.287 -1.897 17930 1499 1 7 . 1 1 5 5 THR CB C 720 69.027 69.027 68.636 0.391 17930 1500 1 7 . 1 1 5 5 THR H H 720 7.803 7.803 7.307 0.496 17930 1501 1 7 . 1 1 6 6 ILE N N 721 119.767 119.767 121.138 -1.371 17930 1502 1 7 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.599 0.310 17930 1503 1 7 . 1 1 6 6 ILE C C 721 176.119 176.119 177.065 -0.946 17930 1504 1 7 . 1 1 6 6 ILE CA C 721 63.025 63.025 66.398 -3.373 17930 1505 1 7 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.678 0.456 17930 1506 1 7 . 1 1 6 6 ILE H H 721 7.786 7.786 8.338 -0.552 17930 1507 1 7 . 1 1 7 7 HIS N N 722 118.437 118.437 118.876 -0.439 17930 1508 1 7 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.200 0.415 17930 1509 1 7 . 1 1 7 7 HIS CA C 722 57.344 57.344 60.014 -2.670 17930 1510 1 7 . 1 1 7 7 HIS CB C 722 29.375 29.375 29.828 -0.454 17930 1511 1 7 . 1 1 7 7 HIS H H 722 8.134 8.134 7.584 0.550 17930 1512 1 7 . 1 1 8 8 ASP N N 723 118.080 118.080 118.439 -0.359 17930 1513 1 7 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.640 -0.046 17930 1514 1 7 . 1 1 8 8 ASP C C 723 176.711 176.711 178.431 -1.720 17930 1515 1 7 . 1 1 8 8 ASP CA C 723 54.176 54.176 56.985 -2.809 17930 1516 1 7 . 1 1 8 8 ASP CB C 723 41.480 41.480 41.222 0.258 17930 1517 1 7 . 1 1 8 8 ASP H H 723 8.025 8.025 7.691 0.334 17930 1518 1 7 . 1 1 9 9 ARG N N 724 120.693 120.693 121.884 -1.191 17930 1519 1 7 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.018 0.186 17930 1520 1 7 . 1 1 9 9 ARG C C 724 177.662 177.662 177.904 -0.242 17930 1521 1 7 . 1 1 9 9 ARG CA C 724 56.819 56.819 59.652 -2.833 17930 1522 1 7 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.358 2.345 17930 1523 1 7 . 1 1 9 9 ARG H H 724 8.219 8.219 8.414 -0.195 17930 1524 1 7 . 1 1 10 10 LYS N N 725 121.792 121.792 117.472 4.320 17930 1525 1 7 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.186 -0.046 17930 1526 1 7 . 1 1 10 10 LYS C C 725 178.127 178.127 178.403 -0.276 17930 1527 1 7 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.313 -0.676 17930 1528 1 7 . 1 1 10 10 LYS CB C 725 32.190 32.190 31.892 0.298 17930 1529 1 7 . 1 1 10 10 LYS H H 725 8.493 8.493 8.209 0.284 17930 1530 1 7 . 1 1 11 11 GLU N N 726 119.285 119.285 118.713 0.572 17930 1531 1 7 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.135 -0.039 17930 1532 1 7 . 1 1 11 11 GLU C C 726 177.688 177.688 177.961 -0.273 17930 1533 1 7 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.542 -0.136 17930 1534 1 7 . 1 1 11 11 GLU CB C 726 29.340 29.340 30.047 -0.706 17930 1535 1 7 . 1 1 11 11 GLU H H 726 8.716 8.716 7.661 1.055 17930 1536 1 7 . 1 1 12 12 PHE N N 727 118.784 118.784 119.333 -0.549 17930 1537 1 7 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.442 -0.064 17930 1538 1 7 . 1 1 12 12 PHE C C 727 176.358 176.358 176.818 -0.460 17930 1539 1 7 . 1 1 12 12 PHE CA C 727 59.332 59.332 59.628 -0.296 17930 1540 1 7 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.776 -0.616 17930 1541 1 7 . 1 1 12 12 PHE H H 727 7.906 7.906 8.343 -0.437 17930 1542 1 7 . 1 1 13 13 ALA N N 728 122.197 122.197 122.659 -0.462 17930 1543 1 7 . 1 1 13 13 ALA HA H 728 4.158 4.158 3.852 0.306 17930 1544 1 7 . 1 1 13 13 ALA C C 728 178.513 178.513 179.640 -1.127 17930 1545 1 7 . 1 1 13 13 ALA CA C 728 54.083 54.083 54.853 -0.770 17930 1546 1 7 . 1 1 13 13 ALA CB C 728 18.496 18.496 18.065 0.431 17930 1547 1 7 . 1 1 13 13 ALA H H 728 7.951 7.951 7.882 0.069 17930 1548 1 7 . 1 1 14 14 LYS N N 729 117.742 117.742 117.627 0.115 17930 1549 1 7 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.278 -0.182 17930 1550 1 7 . 1 1 14 14 LYS C C 729 177.562 177.562 178.839 -1.277 17930 1551 1 7 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.633 -1.703 17930 1552 1 7 . 1 1 14 14 LYS CB C 729 30.515 30.515 31.979 -1.464 17930 1553 1 7 . 1 1 14 14 LYS H H 729 7.814 7.814 8.156 -0.342 17930 1554 1 7 . 1 1 15 15 PHE N N 730 119.960 119.960 118.986 0.974 17930 1555 1 7 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.301 0.078 17930 1556 1 7 . 1 1 15 15 PHE C C 730 176.706 176.706 177.673 -0.967 17930 1557 1 7 . 1 1 15 15 PHE CA C 730 59.753 59.753 61.118 -1.365 17930 1558 1 7 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.905 -0.895 17930 1559 1 7 . 1 1 15 15 PHE H H 730 7.900 7.900 7.776 0.124 17930 1560 1 7 . 1 1 16 16 GLU N N 731 119.516 119.516 119.284 0.232 17930 1561 1 7 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.969 0.096 17930 1562 1 7 . 1 1 16 16 GLU C C 731 177.892 177.892 178.643 -0.751 17930 1563 1 7 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.270 -1.445 17930 1564 1 7 . 1 1 16 16 GLU CB C 731 29.349 29.349 28.841 0.508 17930 1565 1 7 . 1 1 16 16 GLU H H 731 8.174 8.174 8.290 -0.116 17930 1566 1 7 . 1 1 17 17 GLU N N 732 120.577 120.577 120.042 0.535 17930 1567 1 7 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.924 0.126 17930 1568 1 7 . 1 1 17 17 GLU C C 732 178.077 178.077 179.023 -0.946 17930 1569 1 7 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.409 -1.102 17930 1570 1 7 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.140 0.248 17930 1571 1 7 . 1 1 17 17 GLU H H 732 8.145 8.145 8.584 -0.439 17930 1572 1 7 . 1 1 18 18 GLU N N 733 119.573 119.573 119.004 0.569 17930 1573 1 7 . 1 1 18 18 GLU HA H 733 4.056 4.056 3.992 0.064 17930 1574 1 7 . 1 1 18 18 GLU C C 733 177.346 177.346 178.775 -1.429 17930 1575 1 7 . 1 1 18 18 GLU CA C 733 58.298 58.298 59.018 -0.720 17930 1576 1 7 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.384 0.063 17930 1577 1 7 . 1 1 18 18 GLU H H 733 8.152 8.152 7.559 0.593 17930 1578 1 7 . 1 1 19 19 ARG N N 734 118.803 118.803 118.692 0.111 17930 1579 1 7 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.255 -0.223 17930 1580 1 7 . 1 1 19 19 ARG C C 734 177.328 177.328 177.768 -0.440 17930 1581 1 7 . 1 1 19 19 ARG CA C 734 58.397 58.397 57.706 0.690 17930 1582 1 7 . 1 1 19 19 ARG CB C 734 32.170 32.170 30.001 2.169 17930 1583 1 7 . 1 1 19 19 ARG H H 734 8.008 8.008 7.654 0.354 17930 1584 1 7 . 1 1 20 20 ALA N N 735 121.734 121.734 122.046 -0.312 17930 1585 1 7 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.091 0.044 17930 1586 1 7 . 1 1 20 20 ALA C C 735 178.936 178.936 178.904 0.032 17930 1587 1 7 . 1 1 20 20 ALA CA C 735 53.546 53.546 55.199 -1.653 17930 1588 1 7 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.897 -0.250 17930 1589 1 7 . 1 1 20 20 ALA H H 735 7.877 7.877 8.333 -0.456 17930 1590 1 7 . 1 1 21 21 ARG N N 736 118.070 118.070 119.314 -1.244 17930 1591 1 7 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.231 -0.121 17930 1592 1 7 . 1 1 21 21 ARG C C 736 176.675 176.675 178.212 -1.537 17930 1593 1 7 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.627 -1.890 17930 1594 1 7 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.292 0.281 17930 1595 1 7 . 1 1 21 21 ARG H H 736 7.854 7.854 8.533 -0.679 17930 1596 1 7 . 1 1 22 22 ALA N N 737 122.582 122.582 119.771 2.811 17930 1597 1 7 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.181 -0.030 17930 1598 1 7 . 1 1 22 22 ALA C C 737 177.676 177.676 177.883 -0.207 17930 1599 1 7 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.128 -1.402 17930 1600 1 7 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.530 0.261 17930 1601 1 7 . 1 1 22 22 ALA H H 737 7.809 7.809 8.104 -0.295 17930 1602 1 7 . 1 1 23 23 LYS N N 738 118.494 118.494 113.360 5.134 17930 1603 1 7 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.423 -0.264 17930 1604 1 7 . 1 1 23 23 LYS C C 738 176.523 176.523 176.808 -0.285 17930 1605 1 7 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.632 -0.164 17930 1606 1 7 . 1 1 23 23 LYS CB C 738 32.626 32.626 34.678 -2.051 17930 1607 1 7 . 1 1 23 23 LYS H H 738 7.854 7.854 7.601 0.253 17930 1608 1 7 . 1 1 24 24 TRP N N 739 120.538 120.538 122.537 -1.999 17930 1609 1 7 . 1 1 24 24 TRP HA H 739 4.599 4.599 5.023 -0.424 17930 1610 1 7 . 1 1 24 24 TRP C C 739 175.937 175.937 175.531 0.406 17930 1611 1 7 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.070 0.862 17930 1612 1 7 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.883 -0.361 17930 1613 1 7 . 1 1 24 24 TRP H H 739 7.967 7.967 8.763 -0.796 17930 1614 1 7 . 1 1 25 25 ASP N N 740 121.078 121.078 120.851 0.227 17930 1615 1 7 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.377 -0.224 17930 1616 1 7 . 1 1 25 25 ASP C C 740 176.659 176.659 177.309 -0.650 17930 1617 1 7 . 1 1 25 25 ASP CA C 740 54.127 54.127 57.573 -3.446 17930 1618 1 7 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.392 0.634 17930 1619 1 7 . 1 1 25 25 ASP H H 740 8.219 8.219 8.122 0.097 17930 1620 1 7 . 1 1 26 26 THR N N 741 113.655 113.655 112.583 1.072 17930 1621 1 7 . 1 1 26 26 THR HA H 741 4.221 4.221 4.151 0.070 17930 1622 1 7 . 1 1 26 26 THR C C 741 174.807 174.807 174.457 0.350 17930 1623 1 7 . 1 1 26 26 THR CA C 741 62.439 62.439 63.462 -1.023 17930 1624 1 7 . 1 1 26 26 THR CB C 741 69.255 69.255 68.856 0.399 17930 1625 1 7 . 1 1 26 26 THR H H 741 7.946 7.946 8.149 -0.203 17930 1626 1 7 . 1 1 27 27 ALA N N 742 124.530 124.530 122.563 1.967 17930 1627 1 7 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.650 -0.457 17930 1628 1 7 . 1 1 27 27 ALA C C 742 177.516 177.516 178.830 -1.314 17930 1629 1 7 . 1 1 27 27 ALA CA C 742 52.937 52.937 53.505 -0.568 17930 1630 1 7 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.689 -0.715 17930 1631 1 7 . 1 1 27 27 ALA H H 742 8.116 8.116 7.587 0.529 17930 1632 1 7 . 1 1 28 28 ASN N N 743 116.065 116.065 116.082 -0.017 17930 1633 1 7 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.708 -0.109 17930 1634 1 7 . 1 1 28 28 ASN C C 743 174.308 174.308 174.680 -0.372 17930 1635 1 7 . 1 1 28 28 ASN CA C 743 52.868 52.868 55.288 -2.421 17930 1636 1 7 . 1 1 28 28 ASN CB C 743 39.097 39.097 40.097 -1.000 17930 1637 1 7 . 1 1 28 28 ASN H H 743 8.048 8.048 8.502 -0.454 17930 1638 1 7 . 1 1 29 29 ASN N N 744 119.536 119.536 117.552 1.984 17930 1639 1 7 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.110 -0.502 17930 1640 1 7 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.817 0.123 17930 1641 1 7 . 1 1 29 29 ASN CB C 744 38.799 38.799 41.113 -2.314 17930 1642 1 7 . 1 1 29 29 ASN H H 744 8.031 8.031 7.482 0.549 17930 1643 1 7 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.487 -0.115 17930 1644 1 7 . 1 1 30 30 PRO C C 745 177.161 177.161 176.240 0.921 17930 1645 1 7 . 1 1 30 30 PRO CA C 745 63.583 63.583 64.385 -0.802 17930 1646 1 7 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.189 -0.248 17930 1647 1 7 . 1 1 34 34 GLU N N 749 121.102 121.102 121.284 -0.182 17930 1648 1 7 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.128 0.078 17930 1649 1 7 . 1 1 34 34 GLU C C 749 176.842 176.842 177.811 -0.969 17930 1650 1 7 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.776 -2.078 17930 1651 1 7 . 1 1 34 34 GLU CB C 749 29.905 29.905 30.111 -0.206 17930 1652 1 7 . 1 1 34 34 GLU H H 749 8.216 8.216 8.969 -0.753 17930 1653 1 7 . 1 1 35 35 ALA N N 750 124.433 124.433 120.887 3.546 17930 1654 1 7 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.195 0.080 17930 1655 1 7 . 1 1 35 35 ALA C C 750 178.080 178.080 178.516 -0.436 17930 1656 1 7 . 1 1 35 35 ALA CA C 750 53.212 53.212 54.502 -1.290 17930 1657 1 7 . 1 1 35 35 ALA CB C 750 19.060 19.060 17.592 1.468 17930 1658 1 7 . 1 1 35 35 ALA H H 750 8.339 8.339 8.430 -0.091 17930 1659 1 7 . 1 1 36 36 THR N N 751 111.881 111.881 113.599 -1.718 17930 1660 1 7 . 1 1 36 36 THR HA H 751 4.225 4.225 4.076 0.149 17930 1661 1 7 . 1 1 36 36 THR C C 751 175.174 175.174 176.019 -0.845 17930 1662 1 7 . 1 1 36 36 THR CA C 751 62.508 62.508 66.169 -3.661 17930 1663 1 7 . 1 1 36 36 THR CB C 751 69.600 69.600 68.338 1.262 17930 1664 1 7 . 1 1 36 36 THR H H 751 8.008 8.008 8.115 -0.107 17930 1665 1 7 . 1 1 37 37 SER N N 752 117.588 117.588 113.696 3.892 17930 1666 1 7 . 1 1 37 37 SER HA H 752 4.567 4.567 4.588 -0.021 17930 1667 1 7 . 1 1 37 37 SER C C 752 174.988 174.988 175.372 -0.384 17930 1668 1 7 . 1 1 37 37 SER CA C 752 58.856 58.856 59.959 -1.103 17930 1669 1 7 . 1 1 37 37 SER CB C 752 63.705 63.705 63.270 0.435 17930 1670 1 7 . 1 1 37 37 SER H H 752 8.168 8.168 7.713 0.455 17930 1671 1 7 . 1 1 38 38 THR N N 753 116.798 116.798 115.763 1.035 17930 1672 1 7 . 1 1 38 38 THR HA H 753 4.126 4.126 4.077 0.049 17930 1673 1 7 . 1 1 38 38 THR C C 753 174.719 174.719 174.112 0.607 17930 1674 1 7 . 1 1 38 38 THR CA C 753 62.889 62.889 64.016 -1.127 17930 1675 1 7 . 1 1 38 38 THR CB C 753 69.276 69.276 69.087 0.189 17930 1676 1 7 . 1 1 38 38 THR H H 753 8.105 8.105 7.058 1.047 17930 1677 1 7 . 1 1 39 39 PHE N N 754 120.288 120.288 119.145 1.143 17930 1678 1 7 . 1 1 39 39 PHE HA H 754 4.567 4.567 5.037 -0.470 17930 1679 1 7 . 1 1 39 39 PHE C C 754 175.953 175.953 175.662 0.291 17930 1680 1 7 . 1 1 39 39 PHE CA C 754 58.289 58.289 56.686 1.603 17930 1681 1 7 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.618 -1.406 17930 1682 1 7 . 1 1 39 39 PHE H H 754 8.213 8.213 8.143 0.070 17930 1683 1 7 . 1 1 40 40 THR N N 755 113.153 113.153 113.103 0.050 17930 1684 1 7 . 1 1 40 40 THR HA H 755 4.159 4.159 4.404 -0.245 17930 1685 1 7 . 1 1 40 40 THR C C 755 174.225 174.225 174.338 -0.113 17930 1686 1 7 . 1 1 40 40 THR CA C 755 62.446 62.446 62.378 0.068 17930 1687 1 7 . 1 1 40 40 THR CB C 755 69.403 69.403 69.550 -0.147 17930 1688 1 7 . 1 1 40 40 THR H H 755 7.871 7.871 8.352 -0.481 17930 1689 1 7 . 1 1 41 41 ASN N N 756 119.863 119.863 118.983 0.880 17930 1690 1 7 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.873 -0.274 17930 1691 1 7 . 1 1 41 41 ASN C C 756 175.231 175.231 173.760 1.471 17930 1692 1 7 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.435 0.190 17930 1693 1 7 . 1 1 41 41 ASN CB C 756 38.852 38.852 39.533 -0.681 17930 1694 1 7 . 1 1 41 41 ASN H H 756 8.213 8.213 8.071 0.142 17930 1695 1 7 . 1 1 42 42 ILE N N 757 119.671 119.671 123.698 -4.027 17930 1696 1 7 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.330 -0.197 17930 1697 1 7 . 1 1 42 42 ILE C C 757 175.709 175.709 175.704 0.005 17930 1698 1 7 . 1 1 42 42 ILE CA C 757 61.607 61.607 60.094 1.513 17930 1699 1 7 . 1 1 42 42 ILE CB C 757 38.445 38.445 40.214 -1.769 17930 1700 1 7 . 1 1 42 42 ILE H H 757 7.860 7.860 8.265 -0.405 17930 1701 1 7 . 1 1 43 43 THR N N 758 115.737 115.737 116.231 -0.494 17930 1702 1 7 . 1 1 43 43 THR HA H 758 4.276 4.276 4.124 0.152 17930 1703 1 7 . 1 1 43 43 THR C C 758 173.978 173.978 175.211 -1.233 17930 1704 1 7 . 1 1 43 43 THR CA C 758 61.620 61.620 63.453 -1.833 17930 1705 1 7 . 1 1 43 43 THR CB C 758 69.640 69.640 69.106 0.534 17930 1706 1 7 . 1 1 43 43 THR H H 758 7.929 7.929 8.369 -0.440 17930 1707 1 7 . 1 1 44 44 TYR N N 759 122.351 122.351 118.555 3.796 17930 1708 1 7 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.534 0.033 17930 1709 1 7 . 1 1 44 44 TYR C C 759 175.349 175.349 175.519 -0.170 17930 1710 1 7 . 1 1 44 44 TYR CA C 759 57.894 57.894 58.241 -0.347 17930 1711 1 7 . 1 1 44 44 TYR CB C 759 38.782 38.782 38.760 0.022 17930 1712 1 7 . 1 1 44 44 TYR H H 759 8.048 8.048 7.835 0.213 17930 1713 1 7 . 1 1 45 45 ARG N N 760 122.717 122.717 118.922 3.795 17930 1714 1 7 . 1 1 45 45 ARG HA H 760 4.266 4.266 3.998 0.268 17930 1715 1 7 . 1 1 45 45 ARG C C 760 176.141 176.141 175.422 0.719 17930 1716 1 7 . 1 1 45 45 ARG CA C 760 55.718 55.718 57.162 -1.444 17930 1717 1 7 . 1 1 45 45 ARG CB C 760 30.828 30.828 29.312 1.516 17930 1718 1 7 . 1 1 45 45 ARG H H 760 8.111 8.111 8.393 -0.282 17930 1719 1 7 . 1 1 46 46 GLY N N 761 109.046 109.046 106.667 2.379 17930 1720 1 7 . 1 1 46 46 GLY C C 761 173.235 173.235 173.050 0.185 17930 1721 1 7 . 1 1 46 46 GLY CA C 761 45.272 45.272 45.208 0.064 17930 1722 1 7 . 1 1 46 46 GLY H H 761 7.786 7.786 8.304 -0.518 17930 1723 1 8 . 1 1 2 2 LEU N N 717 119.998 119.998 122.305 -2.307 17930 1724 1 8 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.328 -0.198 17930 1725 1 8 . 1 1 2 2 LEU C C 717 177.845 177.845 177.469 0.376 17930 1726 1 8 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.355 -0.681 17930 1727 1 8 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.560 0.364 17930 1728 1 8 . 1 1 2 2 LEU H H 717 7.838 7.838 7.906 -0.068 17930 1729 1 8 . 1 1 3 3 LEU N N 718 118.244 118.244 117.836 0.408 17930 1730 1 8 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.096 -0.039 17930 1731 1 8 . 1 1 3 3 LEU C C 718 177.838 177.838 179.147 -1.309 17930 1732 1 8 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.862 -0.919 17930 1733 1 8 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.133 0.673 17930 1734 1 8 . 1 1 3 3 LEU H H 718 7.727 7.727 8.212 -0.485 17930 1735 1 8 . 1 1 4 4 ILE N N 719 116.296 116.296 116.798 -0.502 17930 1736 1 8 . 1 1 4 4 ILE HA H 719 3.911 3.911 3.974 -0.063 17930 1737 1 8 . 1 1 4 4 ILE C C 719 176.887 176.887 178.049 -1.162 17930 1738 1 8 . 1 1 4 4 ILE CA C 719 62.960 62.960 62.579 0.381 17930 1739 1 8 . 1 1 4 4 ILE CB C 719 38.219 38.219 37.305 0.914 17930 1740 1 8 . 1 1 4 4 ILE H H 719 7.738 7.738 7.320 0.418 17930 1741 1 8 . 1 1 5 5 THR N N 720 114.599 114.599 117.283 -2.684 17930 1742 1 8 . 1 1 5 5 THR HA H 720 4.161 4.161 4.080 0.081 17930 1743 1 8 . 1 1 5 5 THR C C 720 175.578 175.578 176.899 -1.321 17930 1744 1 8 . 1 1 5 5 THR CA C 720 64.390 64.390 66.267 -1.877 17930 1745 1 8 . 1 1 5 5 THR CB C 720 69.027 69.027 68.599 0.428 17930 1746 1 8 . 1 1 5 5 THR H H 720 7.803 7.803 7.920 -0.117 17930 1747 1 8 . 1 1 6 6 ILE N N 721 119.767 119.767 121.384 -1.617 17930 1748 1 8 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.673 0.236 17930 1749 1 8 . 1 1 6 6 ILE C C 721 176.119 176.119 177.473 -1.354 17930 1750 1 8 . 1 1 6 6 ILE CA C 721 63.025 63.025 65.859 -2.834 17930 1751 1 8 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.823 0.311 17930 1752 1 8 . 1 1 6 6 ILE H H 721 7.786 7.786 8.182 -0.396 17930 1753 1 8 . 1 1 7 7 HIS N N 722 118.437 118.437 118.832 -0.395 17930 1754 1 8 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.256 0.359 17930 1755 1 8 . 1 1 7 7 HIS CA C 722 57.344 57.344 60.206 -2.862 17930 1756 1 8 . 1 1 7 7 HIS CB C 722 29.375 29.375 29.993 -0.618 17930 1757 1 8 . 1 1 7 7 HIS H H 722 8.134 8.134 7.470 0.664 17930 1758 1 8 . 1 1 8 8 ASP N N 723 118.080 118.080 118.722 -0.642 17930 1759 1 8 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.600 -0.006 17930 1760 1 8 . 1 1 8 8 ASP C C 723 176.711 176.711 178.569 -1.858 17930 1761 1 8 . 1 1 8 8 ASP CA C 723 54.176 54.176 57.007 -2.831 17930 1762 1 8 . 1 1 8 8 ASP CB C 723 41.480 41.480 40.603 0.877 17930 1763 1 8 . 1 1 8 8 ASP H H 723 8.025 8.025 8.030 -0.005 17930 1764 1 8 . 1 1 9 9 ARG N N 724 120.693 120.693 120.204 0.489 17930 1765 1 8 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.028 0.176 17930 1766 1 8 . 1 1 9 9 ARG C C 724 177.662 177.662 178.166 -0.504 17930 1767 1 8 . 1 1 9 9 ARG CA C 724 56.819 56.819 59.587 -2.768 17930 1768 1 8 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.233 2.470 17930 1769 1 8 . 1 1 9 9 ARG H H 724 8.219 8.219 8.033 0.186 17930 1770 1 8 . 1 1 10 10 LYS N N 725 121.792 121.792 117.428 4.364 17930 1771 1 8 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.108 0.032 17930 1772 1 8 . 1 1 10 10 LYS C C 725 178.127 178.127 178.885 -0.758 17930 1773 1 8 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.820 -1.183 17930 1774 1 8 . 1 1 10 10 LYS CB C 725 32.190 32.190 32.149 0.041 17930 1775 1 8 . 1 1 10 10 LYS H H 725 8.493 8.493 7.551 0.942 17930 1776 1 8 . 1 1 11 11 GLU N N 726 119.285 119.285 118.887 0.398 17930 1777 1 8 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.183 -0.087 17930 1778 1 8 . 1 1 11 11 GLU C C 726 177.688 177.688 178.536 -0.848 17930 1779 1 8 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.867 -0.461 17930 1780 1 8 . 1 1 11 11 GLU CB C 726 29.340 29.340 29.803 -0.463 17930 1781 1 8 . 1 1 11 11 GLU H H 726 8.716 8.716 7.446 1.270 17930 1782 1 8 . 1 1 12 12 PHE N N 727 118.784 118.784 119.152 -0.368 17930 1783 1 8 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.453 -0.075 17930 1784 1 8 . 1 1 12 12 PHE C C 727 176.358 176.358 177.386 -1.028 17930 1785 1 8 . 1 1 12 12 PHE CA C 727 59.332 59.332 60.204 -0.872 17930 1786 1 8 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.775 -0.615 17930 1787 1 8 . 1 1 12 12 PHE H H 727 7.906 7.906 8.089 -0.183 17930 1788 1 8 . 1 1 13 13 ALA N N 728 122.197 122.197 121.981 0.216 17930 1789 1 8 . 1 1 13 13 ALA HA H 728 4.158 4.158 4.234 -0.076 17930 1790 1 8 . 1 1 13 13 ALA C C 728 178.513 178.513 179.209 -0.696 17930 1791 1 8 . 1 1 13 13 ALA CA C 728 54.083 54.083 55.298 -1.215 17930 1792 1 8 . 1 1 13 13 ALA CB C 728 18.496 18.496 17.946 0.550 17930 1793 1 8 . 1 1 13 13 ALA H H 728 7.951 7.951 8.850 -0.899 17930 1794 1 8 . 1 1 14 14 LYS N N 729 117.742 117.742 119.784 -2.042 17930 1795 1 8 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.081 0.015 17930 1796 1 8 . 1 1 14 14 LYS C C 729 177.562 177.562 178.754 -1.192 17930 1797 1 8 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.245 -1.315 17930 1798 1 8 . 1 1 14 14 LYS CB C 729 30.515 30.515 31.825 -1.310 17930 1799 1 8 . 1 1 14 14 LYS H H 729 7.814 7.814 7.921 -0.107 17930 1800 1 8 . 1 1 15 15 PHE N N 730 119.960 119.960 117.788 2.172 17930 1801 1 8 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.168 0.211 17930 1802 1 8 . 1 1 15 15 PHE C C 730 176.706 176.706 177.981 -1.275 17930 1803 1 8 . 1 1 15 15 PHE CA C 730 59.753 59.753 62.230 -2.477 17930 1804 1 8 . 1 1 15 15 PHE CB C 730 39.010 39.010 38.962 0.048 17930 1805 1 8 . 1 1 15 15 PHE H H 730 7.900 7.900 8.481 -0.581 17930 1806 1 8 . 1 1 16 16 GLU N N 731 119.516 119.516 118.204 1.312 17930 1807 1 8 . 1 1 16 16 GLU HA H 731 4.065 4.065 4.111 -0.046 17930 1808 1 8 . 1 1 16 16 GLU C C 731 177.892 177.892 178.913 -1.021 17930 1809 1 8 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.137 -1.312 17930 1810 1 8 . 1 1 16 16 GLU CB C 731 29.349 29.349 29.183 0.166 17930 1811 1 8 . 1 1 16 16 GLU H H 731 8.174 8.174 8.105 0.069 17930 1812 1 8 . 1 1 17 17 GLU N N 732 120.577 120.577 120.265 0.312 17930 1813 1 8 . 1 1 17 17 GLU HA H 732 4.050 4.050 4.093 -0.043 17930 1814 1 8 . 1 1 17 17 GLU C C 732 178.077 178.077 179.488 -1.411 17930 1815 1 8 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.244 -0.937 17930 1816 1 8 . 1 1 17 17 GLU CB C 732 29.388 29.388 28.976 0.412 17930 1817 1 8 . 1 1 17 17 GLU H H 732 8.145 8.145 8.518 -0.373 17930 1818 1 8 . 1 1 18 18 GLU N N 733 119.573 119.573 118.710 0.863 17930 1819 1 8 . 1 1 18 18 GLU HA H 733 4.056 4.056 4.051 0.005 17930 1820 1 8 . 1 1 18 18 GLU C C 733 177.346 177.346 178.404 -1.058 17930 1821 1 8 . 1 1 18 18 GLU CA C 733 58.298 58.298 58.953 -0.654 17930 1822 1 8 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.437 0.010 17930 1823 1 8 . 1 1 18 18 GLU H H 733 8.152 8.152 7.978 0.174 17930 1824 1 8 . 1 1 19 19 ARG N N 734 118.803 118.803 119.178 -0.375 17930 1825 1 8 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.306 -0.274 17930 1826 1 8 . 1 1 19 19 ARG C C 734 177.328 177.328 177.694 -0.366 17930 1827 1 8 . 1 1 19 19 ARG CA C 734 58.397 58.397 57.526 0.870 17930 1828 1 8 . 1 1 19 19 ARG CB C 734 32.170 32.170 30.480 1.690 17930 1829 1 8 . 1 1 19 19 ARG H H 734 8.008 8.008 7.706 0.302 17930 1830 1 8 . 1 1 20 20 ALA N N 735 121.734 121.734 120.969 0.765 17930 1831 1 8 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.329 -0.194 17930 1832 1 8 . 1 1 20 20 ALA C C 735 178.936 178.936 179.371 -0.435 17930 1833 1 8 . 1 1 20 20 ALA CA C 735 53.546 53.546 54.597 -1.051 17930 1834 1 8 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.767 -0.120 17930 1835 1 8 . 1 1 20 20 ALA H H 735 7.877 7.877 8.632 -0.755 17930 1836 1 8 . 1 1 21 21 ARG N N 736 118.070 118.070 120.433 -2.363 17930 1837 1 8 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.259 -0.149 17930 1838 1 8 . 1 1 21 21 ARG C C 736 176.675 176.675 178.442 -1.767 17930 1839 1 8 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.652 -1.915 17930 1840 1 8 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.174 0.399 17930 1841 1 8 . 1 1 21 21 ARG H H 736 7.854 7.854 8.222 -0.368 17930 1842 1 8 . 1 1 22 22 ALA N N 737 122.582 122.582 120.511 2.071 17930 1843 1 8 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.221 -0.070 17930 1844 1 8 . 1 1 22 22 ALA C C 737 177.676 177.676 178.505 -0.829 17930 1845 1 8 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.335 -1.609 17930 1846 1 8 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.734 0.057 17930 1847 1 8 . 1 1 22 22 ALA H H 737 7.809 7.809 7.920 -0.111 17930 1848 1 8 . 1 1 23 23 LYS N N 738 118.494 118.494 116.074 2.420 17930 1849 1 8 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.352 -0.193 17930 1850 1 8 . 1 1 23 23 LYS C C 738 176.523 176.523 176.673 -0.150 17930 1851 1 8 . 1 1 23 23 LYS CA C 738 56.468 56.468 57.319 -0.851 17930 1852 1 8 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.165 -2.539 17930 1853 1 8 . 1 1 23 23 LYS H H 738 7.854 7.854 7.840 0.014 17930 1854 1 8 . 1 1 24 24 TRP N N 739 120.538 120.538 121.305 -0.767 17930 1855 1 8 . 1 1 24 24 TRP HA H 739 4.599 4.599 5.039 -0.440 17930 1856 1 8 . 1 1 24 24 TRP C C 739 175.937 175.937 175.654 0.283 17930 1857 1 8 . 1 1 24 24 TRP CA C 739 56.932 56.932 55.827 1.105 17930 1858 1 8 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.147 0.375 17930 1859 1 8 . 1 1 24 24 TRP H H 739 7.967 7.967 8.891 -0.924 17930 1860 1 8 . 1 1 25 25 ASP N N 740 121.078 121.078 121.268 -0.190 17930 1861 1 8 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.342 -0.189 17930 1862 1 8 . 1 1 25 25 ASP C C 740 176.659 176.659 177.341 -0.682 17930 1863 1 8 . 1 1 25 25 ASP CA C 740 54.127 54.127 57.843 -3.716 17930 1864 1 8 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.265 0.761 17930 1865 1 8 . 1 1 25 25 ASP H H 740 8.219 8.219 8.256 -0.037 17930 1866 1 8 . 1 1 26 26 THR N N 741 113.655 113.655 112.373 1.282 17930 1867 1 8 . 1 1 26 26 THR HA H 741 4.221 4.221 4.248 -0.027 17930 1868 1 8 . 1 1 26 26 THR C C 741 174.807 174.807 174.413 0.394 17930 1869 1 8 . 1 1 26 26 THR CA C 741 62.439 62.439 63.388 -0.949 17930 1870 1 8 . 1 1 26 26 THR CB C 741 69.255 69.255 68.864 0.391 17930 1871 1 8 . 1 1 26 26 THR H H 741 7.946 7.946 8.155 -0.209 17930 1872 1 8 . 1 1 27 27 ALA N N 742 124.530 124.530 122.689 1.841 17930 1873 1 8 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.579 -0.386 17930 1874 1 8 . 1 1 27 27 ALA C C 742 177.516 177.516 178.845 -1.329 17930 1875 1 8 . 1 1 27 27 ALA CA C 742 52.937 52.937 53.735 -0.798 17930 1876 1 8 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.518 -0.544 17930 1877 1 8 . 1 1 27 27 ALA H H 742 8.116 8.116 7.582 0.534 17930 1878 1 8 . 1 1 28 28 ASN N N 743 116.065 116.065 115.520 0.545 17930 1879 1 8 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.763 -0.164 17930 1880 1 8 . 1 1 28 28 ASN C C 743 174.308 174.308 174.554 -0.246 17930 1881 1 8 . 1 1 28 28 ASN CA C 743 52.868 52.868 54.828 -1.960 17930 1882 1 8 . 1 1 28 28 ASN CB C 743 39.097 39.097 40.185 -1.088 17930 1883 1 8 . 1 1 28 28 ASN H H 743 8.048 8.048 8.514 -0.466 17930 1884 1 8 . 1 1 29 29 ASN N N 744 119.536 119.536 118.354 1.182 17930 1885 1 8 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.208 -0.600 17930 1886 1 8 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.047 0.893 17930 1887 1 8 . 1 1 29 29 ASN CB C 744 38.799 38.799 41.536 -2.737 17930 1888 1 8 . 1 1 29 29 ASN H H 744 8.031 8.031 7.746 0.285 17930 1889 1 8 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.354 0.018 17930 1890 1 8 . 1 1 30 30 PRO C C 745 177.161 177.161 176.442 0.719 17930 1891 1 8 . 1 1 30 30 PRO CA C 745 63.583 63.583 65.096 -1.512 17930 1892 1 8 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.257 -0.316 17930 1893 1 8 . 1 1 34 34 GLU N N 749 121.102 121.102 120.760 0.342 17930 1894 1 8 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.128 0.078 17930 1895 1 8 . 1 1 34 34 GLU C C 749 176.842 176.842 178.237 -1.395 17930 1896 1 8 . 1 1 34 34 GLU CA C 749 56.698 56.698 59.154 -2.456 17930 1897 1 8 . 1 1 34 34 GLU CB C 749 29.905 29.905 29.865 0.040 17930 1898 1 8 . 1 1 34 34 GLU H H 749 8.216 8.216 8.939 -0.723 17930 1899 1 8 . 1 1 35 35 ALA N N 750 124.433 124.433 119.879 4.554 17930 1900 1 8 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.426 -0.151 17930 1901 1 8 . 1 1 35 35 ALA C C 750 178.080 178.080 179.135 -1.055 17930 1902 1 8 . 1 1 35 35 ALA CA C 750 53.212 53.212 54.174 -0.962 17930 1903 1 8 . 1 1 35 35 ALA CB C 750 19.060 19.060 18.316 0.744 17930 1904 1 8 . 1 1 35 35 ALA H H 750 8.339 8.339 8.178 0.161 17930 1905 1 8 . 1 1 36 36 THR N N 751 111.881 111.881 113.733 -1.852 17930 1906 1 8 . 1 1 36 36 THR HA H 751 4.225 4.225 4.065 0.160 17930 1907 1 8 . 1 1 36 36 THR C C 751 175.174 175.174 176.106 -0.932 17930 1908 1 8 . 1 1 36 36 THR CA C 751 62.508 62.508 65.674 -3.166 17930 1909 1 8 . 1 1 36 36 THR CB C 751 69.600 69.600 68.389 1.211 17930 1910 1 8 . 1 1 36 36 THR H H 751 8.008 8.008 8.183 -0.175 17930 1911 1 8 . 1 1 37 37 SER N N 752 117.588 117.588 115.865 1.723 17930 1912 1 8 . 1 1 37 37 SER HA H 752 4.567 4.567 4.448 0.119 17930 1913 1 8 . 1 1 37 37 SER C C 752 174.988 174.988 175.712 -0.724 17930 1914 1 8 . 1 1 37 37 SER CA C 752 58.856 58.856 61.294 -2.438 17930 1915 1 8 . 1 1 37 37 SER CB C 752 63.705 63.705 63.531 0.174 17930 1916 1 8 . 1 1 37 37 SER H H 752 8.168 8.168 7.818 0.350 17930 1917 1 8 . 1 1 38 38 THR N N 753 116.798 116.798 113.448 3.350 17930 1918 1 8 . 1 1 38 38 THR HA H 753 4.126 4.126 4.319 -0.193 17930 1919 1 8 . 1 1 38 38 THR C C 753 174.719 174.719 174.884 -0.165 17930 1920 1 8 . 1 1 38 38 THR CA C 753 62.889 62.889 63.624 -0.735 17930 1921 1 8 . 1 1 38 38 THR CB C 753 69.276 69.276 69.648 -0.372 17930 1922 1 8 . 1 1 38 38 THR H H 753 8.105 8.105 7.953 0.152 17930 1923 1 8 . 1 1 39 39 PHE N N 754 120.288 120.288 121.030 -0.742 17930 1924 1 8 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.874 -0.307 17930 1925 1 8 . 1 1 39 39 PHE C C 754 175.953 175.953 175.812 0.141 17930 1926 1 8 . 1 1 39 39 PHE CA C 754 58.289 58.289 57.146 1.143 17930 1927 1 8 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.917 -1.705 17930 1928 1 8 . 1 1 39 39 PHE H H 754 8.213 8.213 8.269 -0.056 17930 1929 1 8 . 1 1 40 40 THR N N 755 113.153 113.153 112.867 0.286 17930 1930 1 8 . 1 1 40 40 THR HA H 755 4.159 4.159 4.445 -0.286 17930 1931 1 8 . 1 1 40 40 THR C C 755 174.225 174.225 173.595 0.630 17930 1932 1 8 . 1 1 40 40 THR CA C 755 62.446 62.446 62.957 -0.511 17930 1933 1 8 . 1 1 40 40 THR CB C 755 69.403 69.403 69.889 -0.486 17930 1934 1 8 . 1 1 40 40 THR H H 755 7.871 7.871 8.368 -0.497 17930 1935 1 8 . 1 1 41 41 ASN N N 756 119.863 119.863 119.774 0.089 17930 1936 1 8 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.982 -0.383 17930 1937 1 8 . 1 1 41 41 ASN C C 756 175.231 175.231 174.025 1.206 17930 1938 1 8 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.083 0.542 17930 1939 1 8 . 1 1 41 41 ASN CB C 756 38.852 38.852 39.701 -0.849 17930 1940 1 8 . 1 1 41 41 ASN H H 756 8.213 8.213 8.439 -0.226 17930 1941 1 8 . 1 1 42 42 ILE N N 757 119.671 119.671 120.787 -1.116 17930 1942 1 8 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.598 -0.465 17930 1943 1 8 . 1 1 42 42 ILE C C 757 175.709 175.709 177.117 -1.408 17930 1944 1 8 . 1 1 42 42 ILE CA C 757 61.607 61.607 59.793 1.814 17930 1945 1 8 . 1 1 42 42 ILE CB C 757 38.445 38.445 39.507 -1.062 17930 1946 1 8 . 1 1 42 42 ILE H H 757 7.860 7.860 7.788 0.072 17930 1947 1 8 . 1 1 43 43 THR N N 758 115.737 115.737 116.263 -0.526 17930 1948 1 8 . 1 1 43 43 THR HA H 758 4.276 4.276 3.939 0.337 17930 1949 1 8 . 1 1 43 43 THR C C 758 173.978 173.978 174.123 -0.145 17930 1950 1 8 . 1 1 43 43 THR CA C 758 61.620 61.620 64.862 -3.242 17930 1951 1 8 . 1 1 43 43 THR CB C 758 69.640 69.640 68.556 1.084 17930 1952 1 8 . 1 1 43 43 THR H H 758 7.929 7.929 8.459 -0.530 17930 1953 1 8 . 1 1 44 44 TYR N N 759 122.351 122.351 117.137 5.214 17930 1954 1 8 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.556 0.011 17930 1955 1 8 . 1 1 44 44 TYR C C 759 175.349 175.349 174.759 0.590 17930 1956 1 8 . 1 1 44 44 TYR CA C 759 57.894 57.894 57.655 0.239 17930 1957 1 8 . 1 1 44 44 TYR CB C 759 38.782 38.782 38.974 -0.192 17930 1958 1 8 . 1 1 44 44 TYR H H 759 8.048 8.048 7.887 0.161 17930 1959 1 8 . 1 1 45 45 ARG N N 760 122.717 122.717 119.383 3.334 17930 1960 1 8 . 1 1 45 45 ARG HA H 760 4.266 4.266 3.937 0.329 17930 1961 1 8 . 1 1 45 45 ARG C C 760 176.141 176.141 175.001 1.140 17930 1962 1 8 . 1 1 45 45 ARG CA C 760 55.718 55.718 56.861 -1.143 17930 1963 1 8 . 1 1 45 45 ARG CB C 760 30.828 30.828 29.089 1.739 17930 1964 1 8 . 1 1 45 45 ARG H H 760 8.111 8.111 8.168 -0.057 17930 1965 1 8 . 1 1 46 46 GLY N N 761 109.046 109.046 108.023 1.023 17930 1966 1 8 . 1 1 46 46 GLY C C 761 173.235 173.235 173.604 -0.369 17930 1967 1 8 . 1 1 46 46 GLY CA C 761 45.272 45.272 44.989 0.283 17930 1968 1 8 . 1 1 46 46 GLY H H 761 7.786 7.786 8.124 -0.338 17930 1969 1 9 . 1 1 2 2 LEU N N 717 119.998 119.998 123.308 -3.310 17930 1970 1 9 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.261 -0.131 17930 1971 1 9 . 1 1 2 2 LEU C C 717 177.845 177.845 177.597 0.248 17930 1972 1 9 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.287 -0.613 17930 1973 1 9 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.312 0.612 17930 1974 1 9 . 1 1 2 2 LEU H H 717 7.838 7.838 7.859 -0.021 17930 1975 1 9 . 1 1 3 3 LEU N N 718 118.244 118.244 114.358 3.886 17930 1976 1 9 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.176 -0.119 17930 1977 1 9 . 1 1 3 3 LEU C C 718 177.838 177.838 177.594 0.244 17930 1978 1 9 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.543 -0.600 17930 1979 1 9 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.248 0.558 17930 1980 1 9 . 1 1 3 3 LEU H H 718 7.727 7.727 7.998 -0.271 17930 1981 1 9 . 1 1 4 4 ILE N N 719 116.296 116.296 116.745 -0.449 17930 1982 1 9 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.288 -0.377 17930 1983 1 9 . 1 1 4 4 ILE C C 719 176.887 176.887 178.023 -1.136 17930 1984 1 9 . 1 1 4 4 ILE CA C 719 62.960 62.960 60.855 2.105 17930 1985 1 9 . 1 1 4 4 ILE CB C 719 38.219 38.219 38.242 -0.023 17930 1986 1 9 . 1 1 4 4 ILE H H 719 7.738 7.738 7.448 0.290 17930 1987 1 9 . 1 1 5 5 THR N N 720 114.599 114.599 117.817 -3.218 17930 1988 1 9 . 1 1 5 5 THR HA H 720 4.161 4.161 4.094 0.067 17930 1989 1 9 . 1 1 5 5 THR C C 720 175.578 175.578 176.469 -0.891 17930 1990 1 9 . 1 1 5 5 THR CA C 720 64.390 64.390 65.869 -1.479 17930 1991 1 9 . 1 1 5 5 THR CB C 720 69.027 69.027 68.406 0.621 17930 1992 1 9 . 1 1 5 5 THR H H 720 7.803 7.803 7.869 -0.066 17930 1993 1 9 . 1 1 6 6 ILE N N 721 119.767 119.767 121.069 -1.302 17930 1994 1 9 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.625 0.284 17930 1995 1 9 . 1 1 6 6 ILE C C 721 176.119 176.119 177.119 -1.000 17930 1996 1 9 . 1 1 6 6 ILE CA C 721 63.025 63.025 65.415 -2.390 17930 1997 1 9 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.766 0.368 17930 1998 1 9 . 1 1 6 6 ILE H H 721 7.786 7.786 7.615 0.171 17930 1999 1 9 . 1 1 7 7 HIS N N 722 118.437 118.437 118.377 0.060 17930 2000 1 9 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.311 0.304 17930 2001 1 9 . 1 1 7 7 HIS CA C 722 57.344 57.344 60.141 -2.797 17930 2002 1 9 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.465 -1.090 17930 2003 1 9 . 1 1 7 7 HIS H H 722 8.134 8.134 7.671 0.463 17930 2004 1 9 . 1 1 8 8 ASP N N 723 118.080 118.080 119.420 -1.340 17930 2005 1 9 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.560 0.034 17930 2006 1 9 . 1 1 8 8 ASP C C 723 176.711 176.711 178.174 -1.463 17930 2007 1 9 . 1 1 8 8 ASP CA C 723 54.176 54.176 57.376 -3.200 17930 2008 1 9 . 1 1 8 8 ASP CB C 723 41.480 41.480 40.799 0.681 17930 2009 1 9 . 1 1 8 8 ASP H H 723 8.025 8.025 7.767 0.258 17930 2010 1 9 . 1 1 9 9 ARG N N 724 120.693 120.693 119.852 0.841 17930 2011 1 9 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.003 0.201 17930 2012 1 9 . 1 1 9 9 ARG C C 724 177.662 177.662 177.796 -0.134 17930 2013 1 9 . 1 1 9 9 ARG CA C 724 56.819 56.819 59.146 -2.327 17930 2014 1 9 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.180 2.523 17930 2015 1 9 . 1 1 9 9 ARG H H 724 8.219 8.219 8.238 -0.019 17930 2016 1 9 . 1 1 10 10 LYS N N 725 121.792 121.792 117.063 4.729 17930 2017 1 9 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.110 0.030 17930 2018 1 9 . 1 1 10 10 LYS C C 725 178.127 178.127 178.215 -0.088 17930 2019 1 9 . 1 1 10 10 LYS CA C 725 57.637 57.637 59.413 -1.776 17930 2020 1 9 . 1 1 10 10 LYS CB C 725 32.190 32.190 32.309 -0.119 17930 2021 1 9 . 1 1 10 10 LYS H H 725 8.493 8.493 7.495 0.998 17930 2022 1 9 . 1 1 11 11 GLU N N 726 119.285 119.285 118.332 0.953 17930 2023 1 9 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.190 -0.094 17930 2024 1 9 . 1 1 11 11 GLU C C 726 177.688 177.688 178.361 -0.673 17930 2025 1 9 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.734 -0.328 17930 2026 1 9 . 1 1 11 11 GLU CB C 726 29.340 29.340 29.810 -0.470 17930 2027 1 9 . 1 1 11 11 GLU H H 726 8.716 8.716 7.516 1.200 17930 2028 1 9 . 1 1 12 12 PHE N N 727 118.784 118.784 118.874 -0.090 17930 2029 1 9 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.458 -0.080 17930 2030 1 9 . 1 1 12 12 PHE C C 727 176.358 176.358 177.431 -1.073 17930 2031 1 9 . 1 1 12 12 PHE CA C 727 59.332 59.332 59.863 -0.531 17930 2032 1 9 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.646 -0.486 17930 2033 1 9 . 1 1 12 12 PHE H H 727 7.906 7.906 8.313 -0.407 17930 2034 1 9 . 1 1 13 13 ALA N N 728 122.197 122.197 122.108 0.089 17930 2035 1 9 . 1 1 13 13 ALA HA H 728 4.158 4.158 4.184 -0.026 17930 2036 1 9 . 1 1 13 13 ALA C C 728 178.513 178.513 179.215 -0.702 17930 2037 1 9 . 1 1 13 13 ALA CA C 728 54.083 54.083 55.182 -1.099 17930 2038 1 9 . 1 1 13 13 ALA CB C 728 18.496 18.496 18.032 0.464 17930 2039 1 9 . 1 1 13 13 ALA H H 728 7.951 7.951 8.074 -0.123 17930 2040 1 9 . 1 1 14 14 LYS N N 729 117.742 117.742 119.690 -1.948 17930 2041 1 9 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.309 -0.213 17930 2042 1 9 . 1 1 14 14 LYS C C 729 177.562 177.562 178.620 -1.058 17930 2043 1 9 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.114 -1.184 17930 2044 1 9 . 1 1 14 14 LYS CB C 729 30.515 30.515 31.738 -1.223 17930 2045 1 9 . 1 1 14 14 LYS H H 729 7.814 7.814 7.799 0.015 17930 2046 1 9 . 1 1 15 15 PHE N N 730 119.960 119.960 119.547 0.413 17930 2047 1 9 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.227 0.152 17930 2048 1 9 . 1 1 15 15 PHE C C 730 176.706 176.706 177.452 -0.746 17930 2049 1 9 . 1 1 15 15 PHE CA C 730 59.753 59.753 61.821 -2.067 17930 2050 1 9 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.409 -0.399 17930 2051 1 9 . 1 1 15 15 PHE H H 730 7.900 7.900 8.130 -0.230 17930 2052 1 9 . 1 1 16 16 GLU N N 731 119.516 119.516 118.296 1.220 17930 2053 1 9 . 1 1 16 16 GLU HA H 731 4.065 4.065 4.117 -0.052 17930 2054 1 9 . 1 1 16 16 GLU C C 731 177.892 177.892 178.914 -1.022 17930 2055 1 9 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.188 -1.363 17930 2056 1 9 . 1 1 16 16 GLU CB C 731 29.349 29.349 29.178 0.171 17930 2057 1 9 . 1 1 16 16 GLU H H 731 8.174 8.174 8.217 -0.043 17930 2058 1 9 . 1 1 17 17 GLU N N 732 120.577 120.577 120.009 0.568 17930 2059 1 9 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.988 0.062 17930 2060 1 9 . 1 1 17 17 GLU C C 732 178.077 178.077 178.999 -0.922 17930 2061 1 9 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.511 -1.204 17930 2062 1 9 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.387 0.001 17930 2063 1 9 . 1 1 17 17 GLU H H 732 8.145 8.145 8.540 -0.395 17930 2064 1 9 . 1 1 18 18 GLU N N 733 119.573 119.573 118.214 1.359 17930 2065 1 9 . 1 1 18 18 GLU HA H 733 4.056 4.056 4.038 0.018 17930 2066 1 9 . 1 1 18 18 GLU C C 733 177.346 177.346 178.229 -0.883 17930 2067 1 9 . 1 1 18 18 GLU CA C 733 58.298 58.298 58.880 -0.583 17930 2068 1 9 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.259 0.188 17930 2069 1 9 . 1 1 18 18 GLU H H 733 8.152 8.152 7.732 0.420 17930 2070 1 9 . 1 1 19 19 ARG N N 734 118.803 118.803 118.900 -0.097 17930 2071 1 9 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.255 -0.223 17930 2072 1 9 . 1 1 19 19 ARG C C 734 177.328 177.328 177.658 -0.330 17930 2073 1 9 . 1 1 19 19 ARG CA C 734 58.397 58.397 57.901 0.496 17930 2074 1 9 . 1 1 19 19 ARG CB C 734 32.170 32.170 30.313 1.857 17930 2075 1 9 . 1 1 19 19 ARG H H 734 8.008 8.008 7.583 0.425 17930 2076 1 9 . 1 1 20 20 ALA N N 735 121.734 121.734 121.066 0.668 17930 2077 1 9 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.255 -0.120 17930 2078 1 9 . 1 1 20 20 ALA C C 735 178.936 178.936 179.425 -0.489 17930 2079 1 9 . 1 1 20 20 ALA CA C 735 53.546 53.546 54.686 -1.140 17930 2080 1 9 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.829 -0.182 17930 2081 1 9 . 1 1 20 20 ALA H H 735 7.877 7.877 8.395 -0.518 17930 2082 1 9 . 1 1 21 21 ARG N N 736 118.070 118.070 118.943 -0.873 17930 2083 1 9 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.226 -0.116 17930 2084 1 9 . 1 1 21 21 ARG C C 736 176.675 176.675 178.148 -1.473 17930 2085 1 9 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.419 -1.682 17930 2086 1 9 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.334 0.239 17930 2087 1 9 . 1 1 21 21 ARG H H 736 7.854 7.854 8.536 -0.682 17930 2088 1 9 . 1 1 22 22 ALA N N 737 122.582 122.582 120.779 1.803 17930 2089 1 9 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.208 -0.057 17930 2090 1 9 . 1 1 22 22 ALA C C 737 177.676 177.676 178.354 -0.678 17930 2091 1 9 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.251 -1.525 17930 2092 1 9 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.595 0.196 17930 2093 1 9 . 1 1 22 22 ALA H H 737 7.809 7.809 8.128 -0.319 17930 2094 1 9 . 1 1 23 23 LYS N N 738 118.494 118.494 114.092 4.402 17930 2095 1 9 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.419 -0.260 17930 2096 1 9 . 1 1 23 23 LYS C C 738 176.523 176.523 176.737 -0.214 17930 2097 1 9 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.688 -0.220 17930 2098 1 9 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.407 -2.781 17930 2099 1 9 . 1 1 23 23 LYS H H 738 7.854 7.854 7.718 0.136 17930 2100 1 9 . 1 1 24 24 TRP N N 739 120.538 120.538 121.395 -0.857 17930 2101 1 9 . 1 1 24 24 TRP HA H 739 4.599 4.599 5.001 -0.402 17930 2102 1 9 . 1 1 24 24 TRP C C 739 175.937 175.937 175.483 0.454 17930 2103 1 9 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.014 0.918 17930 2104 1 9 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.396 0.126 17930 2105 1 9 . 1 1 24 24 TRP H H 739 7.967 7.967 8.681 -0.714 17930 2106 1 9 . 1 1 25 25 ASP N N 740 121.078 121.078 120.676 0.402 17930 2107 1 9 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.351 -0.198 17930 2108 1 9 . 1 1 25 25 ASP C C 740 176.659 176.659 177.479 -0.820 17930 2109 1 9 . 1 1 25 25 ASP CA C 740 54.127 54.127 57.578 -3.451 17930 2110 1 9 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.300 0.726 17930 2111 1 9 . 1 1 25 25 ASP H H 740 8.219 8.219 8.195 0.024 17930 2112 1 9 . 1 1 26 26 THR N N 741 113.655 113.655 112.824 0.831 17930 2113 1 9 . 1 1 26 26 THR HA H 741 4.221 4.221 4.180 0.041 17930 2114 1 9 . 1 1 26 26 THR C C 741 174.807 174.807 174.503 0.304 17930 2115 1 9 . 1 1 26 26 THR CA C 741 62.439 62.439 63.540 -1.101 17930 2116 1 9 . 1 1 26 26 THR CB C 741 69.255 69.255 68.914 0.341 17930 2117 1 9 . 1 1 26 26 THR H H 741 7.946 7.946 8.170 -0.224 17930 2118 1 9 . 1 1 27 27 ALA N N 742 124.530 124.530 122.593 1.937 17930 2119 1 9 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.558 -0.365 17930 2120 1 9 . 1 1 27 27 ALA C C 742 177.516 177.516 178.837 -1.321 17930 2121 1 9 . 1 1 27 27 ALA CA C 742 52.937 52.937 53.756 -0.819 17930 2122 1 9 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.451 -0.477 17930 2123 1 9 . 1 1 27 27 ALA H H 742 8.116 8.116 7.646 0.470 17930 2124 1 9 . 1 1 28 28 ASN N N 743 116.065 116.065 116.697 -0.632 17930 2125 1 9 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.714 -0.115 17930 2126 1 9 . 1 1 28 28 ASN C C 743 174.308 174.308 175.545 -1.237 17930 2127 1 9 . 1 1 28 28 ASN CA C 743 52.868 52.868 54.782 -1.914 17930 2128 1 9 . 1 1 28 28 ASN CB C 743 39.097 39.097 39.692 -0.595 17930 2129 1 9 . 1 1 28 28 ASN H H 743 8.048 8.048 8.477 -0.429 17930 2130 1 9 . 1 1 29 29 ASN N N 744 119.536 119.536 118.530 1.006 17930 2131 1 9 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.191 -0.583 17930 2132 1 9 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.794 0.146 17930 2133 1 9 . 1 1 29 29 ASN CB C 744 38.799 38.799 39.940 -1.141 17930 2134 1 9 . 1 1 29 29 ASN H H 744 8.031 8.031 7.769 0.262 17930 2135 1 9 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.323 0.049 17930 2136 1 9 . 1 1 30 30 PRO C C 745 177.161 177.161 176.518 0.643 17930 2137 1 9 . 1 1 30 30 PRO CA C 745 63.583 63.583 64.427 -0.844 17930 2138 1 9 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.225 -0.284 17930 2139 1 9 . 1 1 34 34 GLU N N 749 121.102 121.102 120.251 0.851 17930 2140 1 9 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.331 -0.125 17930 2141 1 9 . 1 1 34 34 GLU C C 749 176.842 176.842 177.374 -0.532 17930 2142 1 9 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.574 -1.876 17930 2143 1 9 . 1 1 34 34 GLU CB C 749 29.905 29.905 29.927 -0.022 17930 2144 1 9 . 1 1 34 34 GLU H H 749 8.216 8.216 8.861 -0.645 17930 2145 1 9 . 1 1 35 35 ALA N N 750 124.433 124.433 119.944 4.489 17930 2146 1 9 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.469 -0.194 17930 2147 1 9 . 1 1 35 35 ALA C C 750 178.080 178.080 178.950 -0.870 17930 2148 1 9 . 1 1 35 35 ALA CA C 750 53.212 53.212 53.080 0.132 17930 2149 1 9 . 1 1 35 35 ALA CB C 750 19.060 19.060 19.268 -0.208 17930 2150 1 9 . 1 1 35 35 ALA H H 750 8.339 8.339 7.800 0.539 17930 2151 1 9 . 1 1 36 36 THR N N 751 111.881 111.881 115.929 -4.048 17930 2152 1 9 . 1 1 36 36 THR HA H 751 4.225 4.225 3.912 0.313 17930 2153 1 9 . 1 1 36 36 THR C C 751 175.174 175.174 176.180 -1.006 17930 2154 1 9 . 1 1 36 36 THR CA C 751 62.508 62.508 67.424 -4.916 17930 2155 1 9 . 1 1 36 36 THR CB C 751 69.600 69.600 68.395 1.205 17930 2156 1 9 . 1 1 36 36 THR H H 751 8.008 8.008 8.100 -0.092 17930 2157 1 9 . 1 1 37 37 SER N N 752 117.588 117.588 113.072 4.516 17930 2158 1 9 . 1 1 37 37 SER HA H 752 4.567 4.567 4.267 0.300 17930 2159 1 9 . 1 1 37 37 SER C C 752 174.988 174.988 175.886 -0.898 17930 2160 1 9 . 1 1 37 37 SER CA C 752 58.856 58.856 60.369 -1.513 17930 2161 1 9 . 1 1 37 37 SER CB C 752 63.705 63.705 62.924 0.781 17930 2162 1 9 . 1 1 37 37 SER H H 752 8.168 8.168 8.307 -0.139 17930 2163 1 9 . 1 1 38 38 THR N N 753 116.798 116.798 113.935 2.863 17930 2164 1 9 . 1 1 38 38 THR HA H 753 4.126 4.126 4.069 0.057 17930 2165 1 9 . 1 1 38 38 THR C C 753 174.719 174.719 174.609 0.110 17930 2166 1 9 . 1 1 38 38 THR CA C 753 62.889 62.889 64.001 -1.112 17930 2167 1 9 . 1 1 38 38 THR CB C 753 69.276 69.276 68.979 0.297 17930 2168 1 9 . 1 1 38 38 THR H H 753 8.105 8.105 8.034 0.071 17930 2169 1 9 . 1 1 39 39 PHE N N 754 120.288 120.288 118.469 1.819 17930 2170 1 9 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.913 -0.346 17930 2171 1 9 . 1 1 39 39 PHE C C 754 175.953 175.953 175.383 0.570 17930 2172 1 9 . 1 1 39 39 PHE CA C 754 58.289 58.289 56.397 1.892 17930 2173 1 9 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.333 -1.121 17930 2174 1 9 . 1 1 39 39 PHE H H 754 8.213 8.213 7.728 0.485 17930 2175 1 9 . 1 1 40 40 THR N N 755 113.153 113.153 112.478 0.675 17930 2176 1 9 . 1 1 40 40 THR HA H 755 4.159 4.159 4.448 -0.289 17930 2177 1 9 . 1 1 40 40 THR C C 755 174.225 174.225 173.667 0.558 17930 2178 1 9 . 1 1 40 40 THR CA C 755 62.446 62.446 61.698 0.748 17930 2179 1 9 . 1 1 40 40 THR CB C 755 69.403 69.403 70.582 -1.179 17930 2180 1 9 . 1 1 40 40 THR H H 755 7.871 7.871 8.338 -0.467 17930 2181 1 9 . 1 1 41 41 ASN N N 756 119.863 119.863 119.315 0.548 17930 2182 1 9 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.914 -0.315 17930 2183 1 9 . 1 1 41 41 ASN C C 756 175.231 175.231 173.611 1.620 17930 2184 1 9 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.421 0.204 17930 2185 1 9 . 1 1 41 41 ASN CB C 756 38.852 38.852 40.042 -1.190 17930 2186 1 9 . 1 1 41 41 ASN H H 756 8.213 8.213 7.958 0.255 17930 2187 1 9 . 1 1 42 42 ILE N N 757 119.671 119.671 123.829 -4.158 17930 2188 1 9 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.485 -0.352 17930 2189 1 9 . 1 1 42 42 ILE C C 757 175.709 175.709 176.396 -0.687 17930 2190 1 9 . 1 1 42 42 ILE CA C 757 61.607 61.607 60.346 1.261 17930 2191 1 9 . 1 1 42 42 ILE CB C 757 38.445 38.445 40.822 -2.377 17930 2192 1 9 . 1 1 42 42 ILE H H 757 7.860 7.860 8.394 -0.534 17930 2193 1 9 . 1 1 43 43 THR N N 758 115.737 115.737 115.913 -0.176 17930 2194 1 9 . 1 1 43 43 THR HA H 758 4.276 4.276 4.139 0.137 17930 2195 1 9 . 1 1 43 43 THR C C 758 173.978 173.978 175.243 -1.265 17930 2196 1 9 . 1 1 43 43 THR CA C 758 61.620 61.620 64.294 -2.674 17930 2197 1 9 . 1 1 43 43 THR CB C 758 69.640 69.640 68.775 0.865 17930 2198 1 9 . 1 1 43 43 THR H H 758 7.929 7.929 8.119 -0.190 17930 2199 1 9 . 1 1 44 44 TYR N N 759 122.351 122.351 118.789 3.562 17930 2200 1 9 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.704 -0.137 17930 2201 1 9 . 1 1 44 44 TYR C C 759 175.349 175.349 175.726 -0.377 17930 2202 1 9 . 1 1 44 44 TYR CA C 759 57.894 57.894 58.547 -0.653 17930 2203 1 9 . 1 1 44 44 TYR CB C 759 38.782 38.782 39.072 -0.290 17930 2204 1 9 . 1 1 44 44 TYR H H 759 8.048 8.048 7.523 0.525 17930 2205 1 9 . 1 1 45 45 ARG N N 760 122.717 122.717 118.141 4.576 17930 2206 1 9 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.021 0.245 17930 2207 1 9 . 1 1 45 45 ARG C C 760 176.141 176.141 175.425 0.716 17930 2208 1 9 . 1 1 45 45 ARG CA C 760 55.718 55.718 57.871 -2.153 17930 2209 1 9 . 1 1 45 45 ARG CB C 760 30.828 30.828 29.617 1.210 17930 2210 1 9 . 1 1 45 45 ARG H H 760 8.111 8.111 8.430 -0.319 17930 2211 1 9 . 1 1 46 46 GLY N N 761 109.046 109.046 102.329 6.717 17930 2212 1 9 . 1 1 46 46 GLY C C 761 173.235 173.235 173.478 -0.243 17930 2213 1 9 . 1 1 46 46 GLY CA C 761 45.272 45.272 45.130 0.142 17930 2214 1 9 . 1 1 46 46 GLY H H 761 7.786 7.786 8.163 -0.377 17930 2215 1 10 . 1 1 2 2 LEU N N 717 119.998 119.998 122.213 -2.215 17930 2216 1 10 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.331 -0.201 17930 2217 1 10 . 1 1 2 2 LEU C C 717 177.845 177.845 177.506 0.339 17930 2218 1 10 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.486 -0.812 17930 2219 1 10 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.512 0.412 17930 2220 1 10 . 1 1 2 2 LEU H H 717 7.838 7.838 7.914 -0.076 17930 2221 1 10 . 1 1 3 3 LEU N N 718 118.244 118.244 118.768 -0.524 17930 2222 1 10 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.122 -0.065 17930 2223 1 10 . 1 1 3 3 LEU C C 718 177.838 177.838 179.311 -1.473 17930 2224 1 10 . 1 1 3 3 LEU CA C 718 56.943 56.943 58.169 -1.226 17930 2225 1 10 . 1 1 3 3 LEU CB C 718 41.806 41.806 40.923 0.883 17930 2226 1 10 . 1 1 3 3 LEU H H 718 7.727 7.727 7.968 -0.241 17930 2227 1 10 . 1 1 4 4 ILE N N 719 116.296 116.296 117.304 -1.008 17930 2228 1 10 . 1 1 4 4 ILE HA H 719 3.911 3.911 3.925 -0.014 17930 2229 1 10 . 1 1 4 4 ILE C C 719 176.887 176.887 178.212 -1.325 17930 2230 1 10 . 1 1 4 4 ILE CA C 719 62.960 62.960 63.355 -0.395 17930 2231 1 10 . 1 1 4 4 ILE CB C 719 38.219 38.219 36.888 1.331 17930 2232 1 10 . 1 1 4 4 ILE H H 719 7.738 7.738 7.648 0.090 17930 2233 1 10 . 1 1 5 5 THR N N 720 114.599 114.599 117.465 -2.866 17930 2234 1 10 . 1 1 5 5 THR HA H 720 4.161 4.161 4.142 0.019 17930 2235 1 10 . 1 1 5 5 THR C C 720 175.578 175.578 176.836 -1.258 17930 2236 1 10 . 1 1 5 5 THR CA C 720 64.390 64.390 66.375 -1.985 17930 2237 1 10 . 1 1 5 5 THR CB C 720 69.027 69.027 68.582 0.445 17930 2238 1 10 . 1 1 5 5 THR H H 720 7.803 7.803 8.068 -0.265 17930 2239 1 10 . 1 1 6 6 ILE N N 721 119.767 119.767 120.846 -1.079 17930 2240 1 10 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.650 0.259 17930 2241 1 10 . 1 1 6 6 ILE C C 721 176.119 176.119 177.394 -1.275 17930 2242 1 10 . 1 1 6 6 ILE CA C 721 63.025 63.025 65.838 -2.813 17930 2243 1 10 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.858 0.277 17930 2244 1 10 . 1 1 6 6 ILE H H 721 7.786 7.786 7.926 -0.140 17930 2245 1 10 . 1 1 7 7 HIS N N 722 118.437 118.437 118.308 0.129 17930 2246 1 10 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.308 0.307 17930 2247 1 10 . 1 1 7 7 HIS CA C 722 57.344 57.344 59.934 -2.590 17930 2248 1 10 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.140 -0.765 17930 2249 1 10 . 1 1 7 7 HIS H H 722 8.134 8.134 7.455 0.679 17930 2250 1 10 . 1 1 8 8 ASP N N 723 118.080 118.080 119.337 -1.257 17930 2251 1 10 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.570 0.024 17930 2252 1 10 . 1 1 8 8 ASP C C 723 176.711 176.711 178.712 -2.001 17930 2253 1 10 . 1 1 8 8 ASP CA C 723 54.176 54.176 57.188 -3.012 17930 2254 1 10 . 1 1 8 8 ASP CB C 723 41.480 41.480 40.752 0.728 17930 2255 1 10 . 1 1 8 8 ASP H H 723 8.025 8.025 7.880 0.145 17930 2256 1 10 . 1 1 9 9 ARG N N 724 120.693 120.693 119.557 1.136 17930 2257 1 10 . 1 1 9 9 ARG HA H 724 4.204 4.204 3.916 0.288 17930 2258 1 10 . 1 1 9 9 ARG C C 724 177.662 177.662 178.348 -0.686 17930 2259 1 10 . 1 1 9 9 ARG CA C 724 56.819 56.819 59.813 -2.994 17930 2260 1 10 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.147 2.556 17930 2261 1 10 . 1 1 9 9 ARG H H 724 8.219 8.219 8.349 -0.130 17930 2262 1 10 . 1 1 10 10 LYS N N 725 121.792 121.792 117.813 3.979 17930 2263 1 10 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.193 -0.053 17930 2264 1 10 . 1 1 10 10 LYS C C 725 178.127 178.127 178.517 -0.390 17930 2265 1 10 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.687 -1.050 17930 2266 1 10 . 1 1 10 10 LYS CB C 725 32.190 32.190 32.107 0.083 17930 2267 1 10 . 1 1 10 10 LYS H H 725 8.493 8.493 7.381 1.112 17930 2268 1 10 . 1 1 11 11 GLU N N 726 119.285 119.285 118.794 0.491 17930 2269 1 10 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.223 -0.127 17930 2270 1 10 . 1 1 11 11 GLU C C 726 177.688 177.688 178.522 -0.834 17930 2271 1 10 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.475 -0.070 17930 2272 1 10 . 1 1 11 11 GLU CB C 726 29.340 29.340 29.901 -0.561 17930 2273 1 10 . 1 1 11 11 GLU H H 726 8.716 8.716 7.765 0.951 17930 2274 1 10 . 1 1 12 12 PHE N N 727 118.784 118.784 120.060 -1.276 17930 2275 1 10 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.436 -0.058 17930 2276 1 10 . 1 1 12 12 PHE C C 727 176.358 176.358 177.044 -0.686 17930 2277 1 10 . 1 1 12 12 PHE CA C 727 59.332 59.332 60.002 -0.670 17930 2278 1 10 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.347 -0.187 17930 2279 1 10 . 1 1 12 12 PHE H H 727 7.906 7.906 7.950 -0.044 17930 2280 1 10 . 1 1 13 13 ALA N N 728 122.197 122.197 121.985 0.212 17930 2281 1 10 . 1 1 13 13 ALA HA H 728 4.158 4.158 4.027 0.131 17930 2282 1 10 . 1 1 13 13 ALA C C 728 178.513 178.513 179.496 -0.983 17930 2283 1 10 . 1 1 13 13 ALA CA C 728 54.083 54.083 54.891 -0.808 17930 2284 1 10 . 1 1 13 13 ALA CB C 728 18.496 18.496 18.261 0.235 17930 2285 1 10 . 1 1 13 13 ALA H H 728 7.951 7.951 8.832 -0.881 17930 2286 1 10 . 1 1 14 14 LYS N N 729 117.742 117.742 117.391 0.351 17930 2287 1 10 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.036 0.060 17930 2288 1 10 . 1 1 14 14 LYS C C 729 177.562 177.562 178.732 -1.170 17930 2289 1 10 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.375 -1.445 17930 2290 1 10 . 1 1 14 14 LYS CB C 729 30.515 30.515 31.998 -1.483 17930 2291 1 10 . 1 1 14 14 LYS H H 729 7.814 7.814 7.731 0.083 17930 2292 1 10 . 1 1 15 15 PHE N N 730 119.960 119.960 119.178 0.782 17930 2293 1 10 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.251 0.128 17930 2294 1 10 . 1 1 15 15 PHE C C 730 176.706 176.706 177.429 -0.723 17930 2295 1 10 . 1 1 15 15 PHE CA C 730 59.753 59.753 61.038 -1.284 17930 2296 1 10 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.772 -0.762 17930 2297 1 10 . 1 1 15 15 PHE H H 730 7.900 7.900 7.690 0.210 17930 2298 1 10 . 1 1 16 16 GLU N N 731 119.516 119.516 118.860 0.656 17930 2299 1 10 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.995 0.070 17930 2300 1 10 . 1 1 16 16 GLU C C 731 177.892 177.892 178.693 -0.801 17930 2301 1 10 . 1 1 16 16 GLU CA C 731 57.825 57.825 58.995 -1.170 17930 2302 1 10 . 1 1 16 16 GLU CB C 731 29.349 29.349 28.895 0.454 17930 2303 1 10 . 1 1 16 16 GLU H H 731 8.174 8.174 8.174 0.000 17930 2304 1 10 . 1 1 17 17 GLU N N 732 120.577 120.577 119.896 0.681 17930 2305 1 10 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.946 0.104 17930 2306 1 10 . 1 1 17 17 GLU C C 732 178.077 178.077 179.044 -0.967 17930 2307 1 10 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.573 -1.266 17930 2308 1 10 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.064 0.324 17930 2309 1 10 . 1 1 17 17 GLU H H 732 8.145 8.145 8.565 -0.420 17930 2310 1 10 . 1 1 18 18 GLU N N 733 119.573 119.573 118.855 0.718 17930 2311 1 10 . 1 1 18 18 GLU HA H 733 4.056 4.056 4.003 0.053 17930 2312 1 10 . 1 1 18 18 GLU C C 733 177.346 177.346 178.697 -1.351 17930 2313 1 10 . 1 1 18 18 GLU CA C 733 58.298 58.298 59.000 -0.702 17930 2314 1 10 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.417 0.030 17930 2315 1 10 . 1 1 18 18 GLU H H 733 8.152 8.152 7.935 0.217 17930 2316 1 10 . 1 1 19 19 ARG N N 734 118.803 118.803 118.529 0.274 17930 2317 1 10 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.288 -0.256 17930 2318 1 10 . 1 1 19 19 ARG C C 734 177.328 177.328 177.948 -0.620 17930 2319 1 10 . 1 1 19 19 ARG CA C 734 58.397 58.397 57.477 0.920 17930 2320 1 10 . 1 1 19 19 ARG CB C 734 32.170 32.170 30.142 2.028 17930 2321 1 10 . 1 1 19 19 ARG H H 734 8.008 8.008 7.739 0.269 17930 2322 1 10 . 1 1 20 20 ALA N N 735 121.734 121.734 122.465 -0.731 17930 2323 1 10 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.055 0.080 17930 2324 1 10 . 1 1 20 20 ALA C C 735 178.936 178.936 179.139 -0.203 17930 2325 1 10 . 1 1 20 20 ALA CA C 735 53.546 53.546 55.508 -1.962 17930 2326 1 10 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.612 0.035 17930 2327 1 10 . 1 1 20 20 ALA H H 735 7.877 7.877 8.569 -0.692 17930 2328 1 10 . 1 1 21 21 ARG N N 736 118.070 118.070 119.248 -1.178 17930 2329 1 10 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.245 -0.135 17930 2330 1 10 . 1 1 21 21 ARG C C 736 176.675 176.675 178.295 -1.620 17930 2331 1 10 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.513 -1.776 17930 2332 1 10 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.321 0.252 17930 2333 1 10 . 1 1 21 21 ARG H H 736 7.854 7.854 8.380 -0.526 17930 2334 1 10 . 1 1 22 22 ALA N N 737 122.582 122.582 120.095 2.487 17930 2335 1 10 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.207 -0.056 17930 2336 1 10 . 1 1 22 22 ALA C C 737 177.676 177.676 178.222 -0.546 17930 2337 1 10 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.199 -1.473 17930 2338 1 10 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.649 0.142 17930 2339 1 10 . 1 1 22 22 ALA H H 737 7.809 7.809 8.115 -0.306 17930 2340 1 10 . 1 1 23 23 LYS N N 738 118.494 118.494 114.389 4.105 17930 2341 1 10 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.398 -0.239 17930 2342 1 10 . 1 1 23 23 LYS C C 738 176.523 176.523 176.641 -0.118 17930 2343 1 10 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.617 -0.149 17930 2344 1 10 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.283 -2.657 17930 2345 1 10 . 1 1 23 23 LYS H H 738 7.854 7.854 7.616 0.238 17930 2346 1 10 . 1 1 24 24 TRP N N 739 120.538 120.538 121.598 -1.060 17930 2347 1 10 . 1 1 24 24 TRP HA H 739 4.599 4.599 4.979 -0.380 17930 2348 1 10 . 1 1 24 24 TRP C C 739 175.937 175.937 175.468 0.469 17930 2349 1 10 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.059 0.873 17930 2350 1 10 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.347 0.175 17930 2351 1 10 . 1 1 24 24 TRP H H 739 7.967 7.967 8.819 -0.852 17930 2352 1 10 . 1 1 25 25 ASP N N 740 121.078 121.078 120.919 0.159 17930 2353 1 10 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.296 -0.143 17930 2354 1 10 . 1 1 25 25 ASP C C 740 176.659 176.659 177.471 -0.812 17930 2355 1 10 . 1 1 25 25 ASP CA C 740 54.127 54.127 57.815 -3.688 17930 2356 1 10 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.338 0.688 17930 2357 1 10 . 1 1 25 25 ASP H H 740 8.219 8.219 8.421 -0.202 17930 2358 1 10 . 1 1 26 26 THR N N 741 113.655 113.655 113.324 0.331 17930 2359 1 10 . 1 1 26 26 THR HA H 741 4.221 4.221 4.381 -0.160 17930 2360 1 10 . 1 1 26 26 THR C C 741 174.807 174.807 174.760 0.047 17930 2361 1 10 . 1 1 26 26 THR CA C 741 62.439 62.439 63.365 -0.926 17930 2362 1 10 . 1 1 26 26 THR CB C 741 69.255 69.255 68.545 0.710 17930 2363 1 10 . 1 1 26 26 THR H H 741 7.946 7.946 8.213 -0.267 17930 2364 1 10 . 1 1 27 27 ALA N N 742 124.530 124.530 122.760 1.770 17930 2365 1 10 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.406 -0.213 17930 2366 1 10 . 1 1 27 27 ALA C C 742 177.516 177.516 178.823 -1.307 17930 2367 1 10 . 1 1 27 27 ALA CA C 742 52.937 52.937 54.066 -1.129 17930 2368 1 10 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.264 -0.290 17930 2369 1 10 . 1 1 27 27 ALA H H 742 8.116 8.116 7.804 0.312 17930 2370 1 10 . 1 1 28 28 ASN N N 743 116.065 116.065 114.878 1.187 17930 2371 1 10 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.848 -0.249 17930 2372 1 10 . 1 1 28 28 ASN C C 743 174.308 174.308 175.642 -1.334 17930 2373 1 10 . 1 1 28 28 ASN CA C 743 52.868 52.868 54.350 -1.482 17930 2374 1 10 . 1 1 28 28 ASN CB C 743 39.097 39.097 40.864 -1.766 17930 2375 1 10 . 1 1 28 28 ASN H H 743 8.048 8.048 8.029 0.019 17930 2376 1 10 . 1 1 29 29 ASN N N 744 119.536 119.536 119.283 0.253 17930 2377 1 10 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.206 -0.598 17930 2378 1 10 . 1 1 29 29 ASN CA C 744 50.940 50.940 51.196 -0.256 17930 2379 1 10 . 1 1 29 29 ASN CB C 744 38.799 38.799 40.633 -1.835 17930 2380 1 10 . 1 1 29 29 ASN H H 744 8.031 8.031 8.042 -0.011 17930 2381 1 10 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.525 -0.153 17930 2382 1 10 . 1 1 30 30 PRO C C 745 177.161 177.161 176.154 1.007 17930 2383 1 10 . 1 1 30 30 PRO CA C 745 63.583 63.583 64.025 -0.442 17930 2384 1 10 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.200 -0.259 17930 2385 1 10 . 1 1 34 34 GLU N N 749 121.102 121.102 120.155 0.947 17930 2386 1 10 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.328 -0.122 17930 2387 1 10 . 1 1 34 34 GLU C C 749 176.842 176.842 177.134 -0.292 17930 2388 1 10 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.213 -1.515 17930 2389 1 10 . 1 1 34 34 GLU CB C 749 29.905 29.905 30.122 -0.217 17930 2390 1 10 . 1 1 34 34 GLU H H 749 8.216 8.216 8.931 -0.715 17930 2391 1 10 . 1 1 35 35 ALA N N 750 124.433 124.433 120.608 3.825 17930 2392 1 10 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.648 -0.373 17930 2393 1 10 . 1 1 35 35 ALA C C 750 178.080 178.080 178.319 -0.239 17930 2394 1 10 . 1 1 35 35 ALA CA C 750 53.212 53.212 52.751 0.461 17930 2395 1 10 . 1 1 35 35 ALA CB C 750 19.060 19.060 19.633 -0.573 17930 2396 1 10 . 1 1 35 35 ALA H H 750 8.339 8.339 7.521 0.818 17930 2397 1 10 . 1 1 36 36 THR N N 751 111.881 111.881 113.878 -1.997 17930 2398 1 10 . 1 1 36 36 THR HA H 751 4.225 4.225 4.032 0.193 17930 2399 1 10 . 1 1 36 36 THR C C 751 175.174 175.174 175.395 -0.221 17930 2400 1 10 . 1 1 36 36 THR CA C 751 62.508 62.508 65.659 -3.151 17930 2401 1 10 . 1 1 36 36 THR CB C 751 69.600 69.600 68.814 0.786 17930 2402 1 10 . 1 1 36 36 THR H H 751 8.008 8.008 8.332 -0.324 17930 2403 1 10 . 1 1 37 37 SER N N 752 117.588 117.588 110.704 6.884 17930 2404 1 10 . 1 1 37 37 SER HA H 752 4.567 4.567 4.587 -0.020 17930 2405 1 10 . 1 1 37 37 SER C C 752 174.988 174.988 174.844 0.144 17930 2406 1 10 . 1 1 37 37 SER CA C 752 58.856 58.856 58.535 0.321 17930 2407 1 10 . 1 1 37 37 SER CB C 752 63.705 63.705 62.754 0.951 17930 2408 1 10 . 1 1 37 37 SER H H 752 8.168 8.168 8.491 -0.323 17930 2409 1 10 . 1 1 38 38 THR N N 753 116.798 116.798 116.141 0.657 17930 2410 1 10 . 1 1 38 38 THR HA H 753 4.126 4.126 4.092 0.034 17930 2411 1 10 . 1 1 38 38 THR C C 753 174.719 174.719 174.216 0.503 17930 2412 1 10 . 1 1 38 38 THR CA C 753 62.889 62.889 64.772 -1.883 17930 2413 1 10 . 1 1 38 38 THR CB C 753 69.276 69.276 69.186 0.090 17930 2414 1 10 . 1 1 38 38 THR H H 753 8.105 8.105 7.369 0.736 17930 2415 1 10 . 1 1 39 39 PHE N N 754 120.288 120.288 118.609 1.679 17930 2416 1 10 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.975 -0.408 17930 2417 1 10 . 1 1 39 39 PHE C C 754 175.953 175.953 175.478 0.475 17930 2418 1 10 . 1 1 39 39 PHE CA C 754 58.289 58.289 56.590 1.699 17930 2419 1 10 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.895 -1.683 17930 2420 1 10 . 1 1 39 39 PHE H H 754 8.213 8.213 8.018 0.195 17930 2421 1 10 . 1 1 40 40 THR N N 755 113.153 113.153 113.499 -0.346 17930 2422 1 10 . 1 1 40 40 THR HA H 755 4.159 4.159 4.314 -0.155 17930 2423 1 10 . 1 1 40 40 THR C C 755 174.225 174.225 173.845 0.380 17930 2424 1 10 . 1 1 40 40 THR CA C 755 62.446 62.446 63.536 -1.090 17930 2425 1 10 . 1 1 40 40 THR CB C 755 69.403 69.403 69.581 -0.177 17930 2426 1 10 . 1 1 40 40 THR H H 755 7.871 7.871 8.351 -0.480 17930 2427 1 10 . 1 1 41 41 ASN N N 756 119.863 119.863 117.700 2.163 17930 2428 1 10 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.952 -0.353 17930 2429 1 10 . 1 1 41 41 ASN C C 756 175.231 175.231 173.889 1.342 17930 2430 1 10 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.398 0.227 17930 2431 1 10 . 1 1 41 41 ASN CB C 756 38.852 38.852 40.069 -1.217 17930 2432 1 10 . 1 1 41 41 ASN H H 756 8.213 8.213 8.283 -0.070 17930 2433 1 10 . 1 1 42 42 ILE N N 757 119.671 119.671 122.284 -2.613 17930 2434 1 10 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.427 -0.294 17930 2435 1 10 . 1 1 42 42 ILE C C 757 175.709 175.709 176.553 -0.844 17930 2436 1 10 . 1 1 42 42 ILE CA C 757 61.607 61.607 59.053 2.554 17930 2437 1 10 . 1 1 42 42 ILE CB C 757 38.445 38.445 39.635 -1.190 17930 2438 1 10 . 1 1 42 42 ILE H H 757 7.860 7.860 7.933 -0.073 17930 2439 1 10 . 1 1 43 43 THR N N 758 115.737 115.737 115.860 -0.123 17930 2440 1 10 . 1 1 43 43 THR HA H 758 4.276 4.276 4.070 0.206 17930 2441 1 10 . 1 1 43 43 THR C C 758 173.978 173.978 175.092 -1.114 17930 2442 1 10 . 1 1 43 43 THR CA C 758 61.620 61.620 64.698 -3.078 17930 2443 1 10 . 1 1 43 43 THR CB C 758 69.640 69.640 68.909 0.731 17930 2444 1 10 . 1 1 43 43 THR H H 758 7.929 7.929 8.093 -0.164 17930 2445 1 10 . 1 1 44 44 TYR N N 759 122.351 122.351 118.895 3.456 17930 2446 1 10 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.747 -0.180 17930 2447 1 10 . 1 1 44 44 TYR C C 759 175.349 175.349 175.568 -0.219 17930 2448 1 10 . 1 1 44 44 TYR CA C 759 57.894 57.894 57.866 0.028 17930 2449 1 10 . 1 1 44 44 TYR CB C 759 38.782 38.782 38.846 -0.064 17930 2450 1 10 . 1 1 44 44 TYR H H 759 8.048 8.048 7.413 0.635 17930 2451 1 10 . 1 1 45 45 ARG N N 760 122.717 122.717 118.647 4.070 17930 2452 1 10 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.072 0.194 17930 2453 1 10 . 1 1 45 45 ARG C C 760 176.141 176.141 175.053 1.088 17930 2454 1 10 . 1 1 45 45 ARG CA C 760 55.718 55.718 57.304 -1.586 17930 2455 1 10 . 1 1 45 45 ARG CB C 760 30.828 30.828 29.620 1.208 17930 2456 1 10 . 1 1 45 45 ARG H H 760 8.111 8.111 8.536 -0.425 17930 2457 1 10 . 1 1 46 46 GLY N N 761 109.046 109.046 103.264 5.782 17930 2458 1 10 . 1 1 46 46 GLY C C 761 173.235 173.235 173.597 -0.362 17930 2459 1 10 . 1 1 46 46 GLY CA C 761 45.272 45.272 44.672 0.600 17930 2460 1 10 . 1 1 46 46 GLY H H 761 7.786 7.786 8.128 -0.342 17930 2461 1 11 . 1 1 2 2 LEU N N 717 119.998 119.998 121.726 -1.728 17930 2462 1 11 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.211 -0.081 17930 2463 1 11 . 1 1 2 2 LEU C C 717 177.845 177.845 176.956 0.889 17930 2464 1 11 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.518 -0.844 17930 2465 1 11 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.745 0.179 17930 2466 1 11 . 1 1 2 2 LEU H H 717 7.838 7.838 8.021 -0.183 17930 2467 1 11 . 1 1 3 3 LEU N N 718 118.244 118.244 114.971 3.273 17930 2468 1 11 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.181 -0.124 17930 2469 1 11 . 1 1 3 3 LEU C C 718 177.838 177.838 178.091 -0.253 17930 2470 1 11 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.261 -0.319 17930 2471 1 11 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.444 0.362 17930 2472 1 11 . 1 1 3 3 LEU H H 718 7.727 7.727 8.089 -0.362 17930 2473 1 11 . 1 1 4 4 ILE N N 719 116.296 116.296 116.227 0.069 17930 2474 1 11 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.235 -0.324 17930 2475 1 11 . 1 1 4 4 ILE C C 719 176.887 176.887 178.272 -1.385 17930 2476 1 11 . 1 1 4 4 ILE CA C 719 62.960 62.960 61.603 1.357 17930 2477 1 11 . 1 1 4 4 ILE CB C 719 38.219 38.219 37.946 0.273 17930 2478 1 11 . 1 1 4 4 ILE H H 719 7.738 7.738 7.437 0.301 17930 2479 1 11 . 1 1 5 5 THR N N 720 114.599 114.599 117.642 -3.043 17930 2480 1 11 . 1 1 5 5 THR HA H 720 4.161 4.161 4.207 -0.046 17930 2481 1 11 . 1 1 5 5 THR C C 720 175.578 175.578 176.297 -0.719 17930 2482 1 11 . 1 1 5 5 THR CA C 720 64.390 64.390 64.887 -0.497 17930 2483 1 11 . 1 1 5 5 THR CB C 720 69.027 69.027 68.616 0.411 17930 2484 1 11 . 1 1 5 5 THR H H 720 7.803 7.803 8.152 -0.349 17930 2485 1 11 . 1 1 6 6 ILE N N 721 119.767 119.767 121.359 -1.592 17930 2486 1 11 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.723 0.186 17930 2487 1 11 . 1 1 6 6 ILE C C 721 176.119 176.119 177.344 -1.225 17930 2488 1 11 . 1 1 6 6 ILE CA C 721 63.025 63.025 64.267 -1.242 17930 2489 1 11 . 1 1 6 6 ILE CB C 721 38.134 38.134 36.676 1.458 17930 2490 1 11 . 1 1 6 6 ILE H H 721 7.786 7.786 7.575 0.211 17930 2491 1 11 . 1 1 7 7 HIS N N 722 118.437 118.437 119.327 -0.890 17930 2492 1 11 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.261 0.354 17930 2493 1 11 . 1 1 7 7 HIS CA C 722 57.344 57.344 60.207 -2.863 17930 2494 1 11 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.119 -0.744 17930 2495 1 11 . 1 1 7 7 HIS H H 722 8.134 8.134 7.738 0.396 17930 2496 1 11 . 1 1 8 8 ASP N N 723 118.080 118.080 118.689 -0.609 17930 2497 1 11 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.539 0.055 17930 2498 1 11 . 1 1 8 8 ASP C C 723 176.711 176.711 178.632 -1.921 17930 2499 1 11 . 1 1 8 8 ASP CA C 723 54.176 54.176 57.348 -3.172 17930 2500 1 11 . 1 1 8 8 ASP CB C 723 41.480 41.480 40.650 0.830 17930 2501 1 11 . 1 1 8 8 ASP H H 723 8.025 8.025 7.695 0.330 17930 2502 1 11 . 1 1 9 9 ARG N N 724 120.693 120.693 120.486 0.207 17930 2503 1 11 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.112 0.092 17930 2504 1 11 . 1 1 9 9 ARG C C 724 177.662 177.662 178.324 -0.662 17930 2505 1 11 . 1 1 9 9 ARG CA C 724 56.819 56.819 59.627 -2.808 17930 2506 1 11 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.308 2.395 17930 2507 1 11 . 1 1 9 9 ARG H H 724 8.219 8.219 8.111 0.108 17930 2508 1 11 . 1 1 10 10 LYS N N 725 121.792 121.792 118.284 3.508 17930 2509 1 11 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.212 -0.072 17930 2510 1 11 . 1 1 10 10 LYS C C 725 178.127 178.127 178.201 -0.074 17930 2511 1 11 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.728 -1.091 17930 2512 1 11 . 1 1 10 10 LYS CB C 725 32.190 32.190 32.178 0.012 17930 2513 1 11 . 1 1 10 10 LYS H H 725 8.493 8.493 8.026 0.467 17930 2514 1 11 . 1 1 11 11 GLU N N 726 119.285 119.285 119.041 0.244 17930 2515 1 11 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.128 -0.032 17930 2516 1 11 . 1 1 11 11 GLU C C 726 177.688 177.688 177.905 -0.217 17930 2517 1 11 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.751 -0.345 17930 2518 1 11 . 1 1 11 11 GLU CB C 726 29.340 29.340 30.078 -0.738 17930 2519 1 11 . 1 1 11 11 GLU H H 726 8.716 8.716 7.661 1.055 17930 2520 1 11 . 1 1 12 12 PHE N N 727 118.784 118.784 119.007 -0.223 17930 2521 1 11 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.441 -0.063 17930 2522 1 11 . 1 1 12 12 PHE C C 727 176.358 176.358 177.313 -0.955 17930 2523 1 11 . 1 1 12 12 PHE CA C 727 59.332 59.332 59.935 -0.603 17930 2524 1 11 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.795 -0.635 17930 2525 1 11 . 1 1 12 12 PHE H H 727 7.906 7.906 8.444 -0.538 17930 2526 1 11 . 1 1 13 13 ALA N N 728 122.197 122.197 123.070 -0.873 17930 2527 1 11 . 1 1 13 13 ALA HA H 728 4.158 4.158 3.624 0.534 17930 2528 1 11 . 1 1 13 13 ALA C C 728 178.513 178.513 178.856 -0.343 17930 2529 1 11 . 1 1 13 13 ALA CA C 728 54.083 54.083 55.294 -1.212 17930 2530 1 11 . 1 1 13 13 ALA CB C 728 18.496 18.496 17.925 0.571 17930 2531 1 11 . 1 1 13 13 ALA H H 728 7.951 7.951 7.989 -0.038 17930 2532 1 11 . 1 1 14 14 LYS N N 729 117.742 117.742 119.315 -1.573 17930 2533 1 11 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.299 -0.203 17930 2534 1 11 . 1 1 14 14 LYS C C 729 177.562 177.562 178.653 -1.091 17930 2535 1 11 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.292 -1.362 17930 2536 1 11 . 1 1 14 14 LYS CB C 729 30.515 30.515 31.977 -1.462 17930 2537 1 11 . 1 1 14 14 LYS H H 729 7.814 7.814 7.859 -0.045 17930 2538 1 11 . 1 1 15 15 PHE N N 730 119.960 119.960 119.122 0.838 17930 2539 1 11 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.249 0.130 17930 2540 1 11 . 1 1 15 15 PHE C C 730 176.706 176.706 177.339 -0.633 17930 2541 1 11 . 1 1 15 15 PHE CA C 730 59.753 59.753 61.001 -1.248 17930 2542 1 11 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.642 -0.632 17930 2543 1 11 . 1 1 15 15 PHE H H 730 7.900 7.900 7.998 -0.098 17930 2544 1 11 . 1 1 16 16 GLU N N 731 119.516 119.516 119.004 0.512 17930 2545 1 11 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.927 0.138 17930 2546 1 11 . 1 1 16 16 GLU C C 731 177.892 177.892 178.520 -0.628 17930 2547 1 11 . 1 1 16 16 GLU CA C 731 57.825 57.825 58.962 -1.137 17930 2548 1 11 . 1 1 16 16 GLU CB C 731 29.349 29.349 28.948 0.401 17930 2549 1 11 . 1 1 16 16 GLU H H 731 8.174 8.174 7.658 0.516 17930 2550 1 11 . 1 1 17 17 GLU N N 732 120.577 120.577 120.170 0.407 17930 2551 1 11 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.858 0.192 17930 2552 1 11 . 1 1 17 17 GLU C C 732 178.077 178.077 179.005 -0.928 17930 2553 1 11 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.713 -1.406 17930 2554 1 11 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.187 0.201 17930 2555 1 11 . 1 1 17 17 GLU H H 732 8.145 8.145 8.756 -0.611 17930 2556 1 11 . 1 1 18 18 GLU N N 733 119.573 119.573 118.070 1.503 17930 2557 1 11 . 1 1 18 18 GLU HA H 733 4.056 4.056 3.971 0.085 17930 2558 1 11 . 1 1 18 18 GLU C C 733 177.346 177.346 178.939 -1.593 17930 2559 1 11 . 1 1 18 18 GLU CA C 733 58.298 58.298 59.004 -0.706 17930 2560 1 11 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.236 0.211 17930 2561 1 11 . 1 1 18 18 GLU H H 733 8.152 8.152 7.832 0.320 17930 2562 1 11 . 1 1 19 19 ARG N N 734 118.803 118.803 119.198 -0.395 17930 2563 1 11 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.220 -0.188 17930 2564 1 11 . 1 1 19 19 ARG C C 734 177.328 177.328 177.718 -0.390 17930 2565 1 11 . 1 1 19 19 ARG CA C 734 58.397 58.397 58.017 0.380 17930 2566 1 11 . 1 1 19 19 ARG CB C 734 32.170 32.170 30.199 1.971 17930 2567 1 11 . 1 1 19 19 ARG H H 734 8.008 8.008 7.634 0.374 17930 2568 1 11 . 1 1 20 20 ALA N N 735 121.734 121.734 121.410 0.324 17930 2569 1 11 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.232 -0.097 17930 2570 1 11 . 1 1 20 20 ALA C C 735 178.936 178.936 179.376 -0.440 17930 2571 1 11 . 1 1 20 20 ALA CA C 735 53.546 53.546 54.638 -1.092 17930 2572 1 11 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.723 -0.076 17930 2573 1 11 . 1 1 20 20 ALA H H 735 7.877 7.877 8.534 -0.657 17930 2574 1 11 . 1 1 21 21 ARG N N 736 118.070 118.070 119.495 -1.425 17930 2575 1 11 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.230 -0.120 17930 2576 1 11 . 1 1 21 21 ARG C C 736 176.675 176.675 178.205 -1.530 17930 2577 1 11 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.680 -1.943 17930 2578 1 11 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.258 0.315 17930 2579 1 11 . 1 1 21 21 ARG H H 736 7.854 7.854 8.533 -0.679 17930 2580 1 11 . 1 1 22 22 ALA N N 737 122.582 122.582 119.876 2.706 17930 2581 1 11 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.205 -0.054 17930 2582 1 11 . 1 1 22 22 ALA C C 737 177.676 177.676 178.228 -0.552 17930 2583 1 11 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.027 -1.301 17930 2584 1 11 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.635 0.156 17930 2585 1 11 . 1 1 22 22 ALA H H 737 7.809 7.809 7.820 -0.011 17930 2586 1 11 . 1 1 23 23 LYS N N 738 118.494 118.494 116.210 2.284 17930 2587 1 11 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.316 -0.157 17930 2588 1 11 . 1 1 23 23 LYS C C 738 176.523 176.523 176.327 0.196 17930 2589 1 11 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.575 -0.107 17930 2590 1 11 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.258 -2.632 17930 2591 1 11 . 1 1 23 23 LYS H H 738 7.854 7.854 7.646 0.208 17930 2592 1 11 . 1 1 24 24 TRP N N 739 120.538 120.538 120.570 -0.032 17930 2593 1 11 . 1 1 24 24 TRP HA H 739 4.599 4.599 4.992 -0.393 17930 2594 1 11 . 1 1 24 24 TRP C C 739 175.937 175.937 175.287 0.650 17930 2595 1 11 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.039 0.893 17930 2596 1 11 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.740 -0.218 17930 2597 1 11 . 1 1 24 24 TRP H H 739 7.967 7.967 8.747 -0.780 17930 2598 1 11 . 1 1 25 25 ASP N N 740 121.078 121.078 122.912 -1.834 17930 2599 1 11 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.247 -0.094 17930 2600 1 11 . 1 1 25 25 ASP C C 740 176.659 176.659 177.321 -0.662 17930 2601 1 11 . 1 1 25 25 ASP CA C 740 54.127 54.127 58.821 -4.694 17930 2602 1 11 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.971 0.055 17930 2603 1 11 . 1 1 25 25 ASP H H 740 8.219 8.219 8.196 0.023 17930 2604 1 11 . 1 1 26 26 THR N N 741 113.655 113.655 112.720 0.935 17930 2605 1 11 . 1 1 26 26 THR HA H 741 4.221 4.221 4.154 0.067 17930 2606 1 11 . 1 1 26 26 THR C C 741 174.807 174.807 174.782 0.025 17930 2607 1 11 . 1 1 26 26 THR CA C 741 62.439 62.439 64.615 -2.176 17930 2608 1 11 . 1 1 26 26 THR CB C 741 69.255 69.255 68.361 0.894 17930 2609 1 11 . 1 1 26 26 THR H H 741 7.946 7.946 8.420 -0.474 17930 2610 1 11 . 1 1 27 27 ALA N N 742 124.530 124.530 122.997 1.533 17930 2611 1 11 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.472 -0.279 17930 2612 1 11 . 1 1 27 27 ALA C C 742 177.516 177.516 179.293 -1.777 17930 2613 1 11 . 1 1 27 27 ALA CA C 742 52.937 52.937 53.803 -0.866 17930 2614 1 11 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.698 -0.724 17930 2615 1 11 . 1 1 27 27 ALA H H 742 8.116 8.116 7.816 0.300 17930 2616 1 11 . 1 1 28 28 ASN N N 743 116.065 116.065 114.963 1.102 17930 2617 1 11 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.655 -0.056 17930 2618 1 11 . 1 1 28 28 ASN C C 743 174.308 174.308 175.193 -0.885 17930 2619 1 11 . 1 1 28 28 ASN CA C 743 52.868 52.868 55.756 -2.888 17930 2620 1 11 . 1 1 28 28 ASN CB C 743 39.097 39.097 39.789 -0.692 17930 2621 1 11 . 1 1 28 28 ASN H H 743 8.048 8.048 8.553 -0.505 17930 2622 1 11 . 1 1 29 29 ASN N N 744 119.536 119.536 118.835 0.701 17930 2623 1 11 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.123 -0.515 17930 2624 1 11 . 1 1 29 29 ASN CA C 744 50.940 50.940 51.010 -0.070 17930 2625 1 11 . 1 1 29 29 ASN CB C 744 38.799 38.799 40.517 -1.718 17930 2626 1 11 . 1 1 29 29 ASN H H 744 8.031 8.031 7.956 0.075 17930 2627 1 11 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.464 -0.092 17930 2628 1 11 . 1 1 30 30 PRO C C 745 177.161 177.161 176.282 0.879 17930 2629 1 11 . 1 1 30 30 PRO CA C 745 63.583 63.583 63.753 -0.170 17930 2630 1 11 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.282 -0.341 17930 2631 1 11 . 1 1 34 34 GLU N N 749 121.102 121.102 121.070 0.032 17930 2632 1 11 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.192 0.014 17930 2633 1 11 . 1 1 34 34 GLU C C 749 176.842 176.842 178.027 -1.185 17930 2634 1 11 . 1 1 34 34 GLU CA C 749 56.698 56.698 59.036 -2.338 17930 2635 1 11 . 1 1 34 34 GLU CB C 749 29.905 29.905 29.856 0.049 17930 2636 1 11 . 1 1 34 34 GLU H H 749 8.216 8.216 8.903 -0.687 17930 2637 1 11 . 1 1 35 35 ALA N N 750 124.433 124.433 119.913 4.520 17930 2638 1 11 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.053 0.222 17930 2639 1 11 . 1 1 35 35 ALA C C 750 178.080 178.080 178.828 -0.748 17930 2640 1 11 . 1 1 35 35 ALA CA C 750 53.212 53.212 54.257 -1.045 17930 2641 1 11 . 1 1 35 35 ALA CB C 750 19.060 19.060 18.477 0.583 17930 2642 1 11 . 1 1 35 35 ALA H H 750 8.339 8.339 8.676 -0.337 17930 2643 1 11 . 1 1 36 36 THR N N 751 111.881 111.881 108.743 3.138 17930 2644 1 11 . 1 1 36 36 THR HA H 751 4.225 4.225 4.085 0.140 17930 2645 1 11 . 1 1 36 36 THR C C 751 175.174 175.174 175.781 -0.607 17930 2646 1 11 . 1 1 36 36 THR CA C 751 62.508 62.508 64.325 -1.817 17930 2647 1 11 . 1 1 36 36 THR CB C 751 69.600 69.600 68.340 1.260 17930 2648 1 11 . 1 1 36 36 THR H H 751 8.008 8.008 8.081 -0.073 17930 2649 1 11 . 1 1 37 37 SER N N 752 117.588 117.588 115.430 2.158 17930 2650 1 11 . 1 1 37 37 SER HA H 752 4.567 4.567 4.524 0.043 17930 2651 1 11 . 1 1 37 37 SER C C 752 174.988 174.988 175.407 -0.419 17930 2652 1 11 . 1 1 37 37 SER CA C 752 58.856 58.856 60.693 -1.837 17930 2653 1 11 . 1 1 37 37 SER CB C 752 63.705 63.705 63.702 0.003 17930 2654 1 11 . 1 1 37 37 SER H H 752 8.168 8.168 7.637 0.531 17930 2655 1 11 . 1 1 38 38 THR N N 753 116.798 116.798 114.741 2.057 17930 2656 1 11 . 1 1 38 38 THR HA H 753 4.126 4.126 4.193 -0.067 17930 2657 1 11 . 1 1 38 38 THR C C 753 174.719 174.719 174.152 0.567 17930 2658 1 11 . 1 1 38 38 THR CA C 753 62.889 62.889 63.381 -0.492 17930 2659 1 11 . 1 1 38 38 THR CB C 753 69.276 69.276 69.374 -0.098 17930 2660 1 11 . 1 1 38 38 THR H H 753 8.105 8.105 7.444 0.661 17930 2661 1 11 . 1 1 39 39 PHE N N 754 120.288 120.288 119.892 0.396 17930 2662 1 11 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.940 -0.373 17930 2663 1 11 . 1 1 39 39 PHE C C 754 175.953 175.953 175.853 0.100 17930 2664 1 11 . 1 1 39 39 PHE CA C 754 58.289 58.289 56.213 2.076 17930 2665 1 11 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.324 -1.112 17930 2666 1 11 . 1 1 39 39 PHE H H 754 8.213 8.213 7.861 0.352 17930 2667 1 11 . 1 1 40 40 THR N N 755 113.153 113.153 110.031 3.122 17930 2668 1 11 . 1 1 40 40 THR HA H 755 4.159 4.159 4.355 -0.196 17930 2669 1 11 . 1 1 40 40 THR C C 755 174.225 174.225 174.012 0.213 17930 2670 1 11 . 1 1 40 40 THR CA C 755 62.446 62.446 62.837 -0.391 17930 2671 1 11 . 1 1 40 40 THR CB C 755 69.403 69.403 70.236 -0.833 17930 2672 1 11 . 1 1 40 40 THR H H 755 7.871 7.871 8.305 -0.434 17930 2673 1 11 . 1 1 41 41 ASN N N 756 119.863 119.863 118.614 1.249 17930 2674 1 11 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.895 -0.296 17930 2675 1 11 . 1 1 41 41 ASN C C 756 175.231 175.231 173.658 1.573 17930 2676 1 11 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.470 0.155 17930 2677 1 11 . 1 1 41 41 ASN CB C 756 38.852 38.852 40.385 -1.532 17930 2678 1 11 . 1 1 41 41 ASN H H 756 8.213 8.213 7.991 0.222 17930 2679 1 11 . 1 1 42 42 ILE N N 757 119.671 119.671 124.146 -4.475 17930 2680 1 11 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.422 -0.289 17930 2681 1 11 . 1 1 42 42 ILE C C 757 175.709 175.709 174.985 0.724 17930 2682 1 11 . 1 1 42 42 ILE CA C 757 61.607 61.607 59.522 2.085 17930 2683 1 11 . 1 1 42 42 ILE CB C 757 38.445 38.445 40.556 -2.111 17930 2684 1 11 . 1 1 42 42 ILE H H 757 7.860 7.860 8.059 -0.199 17930 2685 1 11 . 1 1 43 43 THR N N 758 115.737 115.737 115.172 0.565 17930 2686 1 11 . 1 1 43 43 THR HA H 758 4.276 4.276 4.225 0.051 17930 2687 1 11 . 1 1 43 43 THR C C 758 173.978 173.978 174.720 -0.742 17930 2688 1 11 . 1 1 43 43 THR CA C 758 61.620 61.620 62.842 -1.222 17930 2689 1 11 . 1 1 43 43 THR CB C 758 69.640 69.640 69.305 0.335 17930 2690 1 11 . 1 1 43 43 THR H H 758 7.929 7.929 8.368 -0.439 17930 2691 1 11 . 1 1 44 44 TYR N N 759 122.351 122.351 119.167 3.184 17930 2692 1 11 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.541 0.026 17930 2693 1 11 . 1 1 44 44 TYR C C 759 175.349 175.349 175.216 0.133 17930 2694 1 11 . 1 1 44 44 TYR CA C 759 57.894 57.894 58.584 -0.690 17930 2695 1 11 . 1 1 44 44 TYR CB C 759 38.782 38.782 38.702 0.080 17930 2696 1 11 . 1 1 44 44 TYR H H 759 8.048 8.048 7.616 0.432 17930 2697 1 11 . 1 1 45 45 ARG N N 760 122.717 122.717 119.513 3.204 17930 2698 1 11 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.097 0.169 17930 2699 1 11 . 1 1 45 45 ARG C C 760 176.141 176.141 175.981 0.160 17930 2700 1 11 . 1 1 45 45 ARG CA C 760 55.718 55.718 57.149 -1.431 17930 2701 1 11 . 1 1 45 45 ARG CB C 760 30.828 30.828 28.590 2.239 17930 2702 1 11 . 1 1 45 45 ARG H H 760 8.111 8.111 8.651 -0.540 17930 2703 1 11 . 1 1 46 46 GLY N N 761 109.046 109.046 104.896 4.150 17930 2704 1 11 . 1 1 46 46 GLY C C 761 173.235 173.235 173.005 0.230 17930 2705 1 11 . 1 1 46 46 GLY CA C 761 45.272 45.272 45.556 -0.284 17930 2706 1 11 . 1 1 46 46 GLY H H 761 7.786 7.786 8.278 -0.492 17930 2707 1 12 . 1 1 2 2 LEU N N 717 119.998 119.998 122.554 -2.556 17930 2708 1 12 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.185 -0.055 17930 2709 1 12 . 1 1 2 2 LEU C C 717 177.845 177.845 177.753 0.092 17930 2710 1 12 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.232 -0.558 17930 2711 1 12 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.436 0.488 17930 2712 1 12 . 1 1 2 2 LEU H H 717 7.838 7.838 7.989 -0.151 17930 2713 1 12 . 1 1 3 3 LEU N N 718 118.244 118.244 116.302 1.942 17930 2714 1 12 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.071 -0.014 17930 2715 1 12 . 1 1 3 3 LEU C C 718 177.838 177.838 178.233 -0.395 17930 2716 1 12 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.192 -0.249 17930 2717 1 12 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.408 0.398 17930 2718 1 12 . 1 1 3 3 LEU H H 718 7.727 7.727 8.006 -0.279 17930 2719 1 12 . 1 1 4 4 ILE N N 719 116.296 116.296 116.136 0.160 17930 2720 1 12 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.192 -0.281 17930 2721 1 12 . 1 1 4 4 ILE C C 719 176.887 176.887 178.362 -1.475 17930 2722 1 12 . 1 1 4 4 ILE CA C 719 62.960 62.960 61.694 1.266 17930 2723 1 12 . 1 1 4 4 ILE CB C 719 38.219 38.219 37.956 0.263 17930 2724 1 12 . 1 1 4 4 ILE H H 719 7.738 7.738 7.491 0.247 17930 2725 1 12 . 1 1 5 5 THR N N 720 114.599 114.599 117.960 -3.361 17930 2726 1 12 . 1 1 5 5 THR HA H 720 4.161 4.161 4.318 -0.157 17930 2727 1 12 . 1 1 5 5 THR C C 720 175.578 175.578 176.581 -1.003 17930 2728 1 12 . 1 1 5 5 THR CA C 720 64.390 64.390 65.295 -0.905 17930 2729 1 12 . 1 1 5 5 THR CB C 720 69.027 69.027 68.242 0.785 17930 2730 1 12 . 1 1 5 5 THR H H 720 7.803 7.803 8.216 -0.413 17930 2731 1 12 . 1 1 6 6 ILE N N 721 119.767 119.767 120.746 -0.979 17930 2732 1 12 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.728 0.181 17930 2733 1 12 . 1 1 6 6 ILE C C 721 176.119 176.119 177.600 -1.481 17930 2734 1 12 . 1 1 6 6 ILE CA C 721 63.025 63.025 63.780 -0.755 17930 2735 1 12 . 1 1 6 6 ILE CB C 721 38.134 38.134 36.249 1.885 17930 2736 1 12 . 1 1 6 6 ILE H H 721 7.786 7.786 7.685 0.101 17930 2737 1 12 . 1 1 7 7 HIS N N 722 118.437 118.437 119.601 -1.164 17930 2738 1 12 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.190 0.425 17930 2739 1 12 . 1 1 7 7 HIS CA C 722 57.344 57.344 59.894 -2.550 17930 2740 1 12 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.452 -1.077 17930 2741 1 12 . 1 1 7 7 HIS H H 722 8.134 8.134 7.782 0.352 17930 2742 1 12 . 1 1 8 8 ASP N N 723 118.080 118.080 119.413 -1.333 17930 2743 1 12 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.531 0.063 17930 2744 1 12 . 1 1 8 8 ASP C C 723 176.711 176.711 178.178 -1.467 17930 2745 1 12 . 1 1 8 8 ASP CA C 723 54.176 54.176 57.787 -3.611 17930 2746 1 12 . 1 1 8 8 ASP CB C 723 41.480 41.480 40.677 0.803 17930 2747 1 12 . 1 1 8 8 ASP H H 723 8.025 8.025 7.871 0.154 17930 2748 1 12 . 1 1 9 9 ARG N N 724 120.693 120.693 119.588 1.105 17930 2749 1 12 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.045 0.159 17930 2750 1 12 . 1 1 9 9 ARG C C 724 177.662 177.662 177.604 0.058 17930 2751 1 12 . 1 1 9 9 ARG CA C 724 56.819 56.819 59.216 -2.397 17930 2752 1 12 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.251 2.452 17930 2753 1 12 . 1 1 9 9 ARG H H 724 8.219 8.219 8.160 0.059 17930 2754 1 12 . 1 1 10 10 LYS N N 725 121.792 121.792 116.939 4.853 17930 2755 1 12 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.197 -0.057 17930 2756 1 12 . 1 1 10 10 LYS C C 725 178.127 178.127 178.747 -0.620 17930 2757 1 12 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.262 -0.625 17930 2758 1 12 . 1 1 10 10 LYS CB C 725 32.190 32.190 32.051 0.139 17930 2759 1 12 . 1 1 10 10 LYS H H 725 8.493 8.493 7.335 1.158 17930 2760 1 12 . 1 1 11 11 GLU N N 726 119.285 119.285 119.063 0.222 17930 2761 1 12 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.174 -0.078 17930 2762 1 12 . 1 1 11 11 GLU C C 726 177.688 177.688 178.833 -1.145 17930 2763 1 12 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.712 -0.306 17930 2764 1 12 . 1 1 11 11 GLU CB C 726 29.340 29.340 29.777 -0.438 17930 2765 1 12 . 1 1 11 11 GLU H H 726 8.716 8.716 7.568 1.148 17930 2766 1 12 . 1 1 12 12 PHE N N 727 118.784 118.784 119.382 -0.598 17930 2767 1 12 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.479 -0.101 17930 2768 1 12 . 1 1 12 12 PHE C C 727 176.358 176.358 177.677 -1.319 17930 2769 1 12 . 1 1 12 12 PHE CA C 727 59.332 59.332 60.607 -1.275 17930 2770 1 12 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.703 -0.543 17930 2771 1 12 . 1 1 12 12 PHE H H 727 7.906 7.906 8.145 -0.239 17930 2772 1 12 . 1 1 13 13 ALA N N 728 122.197 122.197 122.119 0.078 17930 2773 1 12 . 1 1 13 13 ALA HA H 728 4.158 4.158 3.976 0.182 17930 2774 1 12 . 1 1 13 13 ALA C C 728 178.513 178.513 178.830 -0.317 17930 2775 1 12 . 1 1 13 13 ALA CA C 728 54.083 54.083 55.175 -1.092 17930 2776 1 12 . 1 1 13 13 ALA CB C 728 18.496 18.496 17.930 0.566 17930 2777 1 12 . 1 1 13 13 ALA H H 728 7.951 7.951 8.750 -0.799 17930 2778 1 12 . 1 1 14 14 LYS N N 729 117.742 117.742 119.303 -1.561 17930 2779 1 12 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.226 -0.130 17930 2780 1 12 . 1 1 14 14 LYS C C 729 177.562 177.562 178.492 -0.930 17930 2781 1 12 . 1 1 14 14 LYS CA C 729 56.930 56.930 57.998 -1.067 17930 2782 1 12 . 1 1 14 14 LYS CB C 729 30.515 30.515 31.730 -1.215 17930 2783 1 12 . 1 1 14 14 LYS H H 729 7.814 7.814 7.969 -0.155 17930 2784 1 12 . 1 1 15 15 PHE N N 730 119.960 119.960 119.720 0.240 17930 2785 1 12 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.331 0.048 17930 2786 1 12 . 1 1 15 15 PHE C C 730 176.706 176.706 177.349 -0.643 17930 2787 1 12 . 1 1 15 15 PHE CA C 730 59.753 59.753 61.273 -1.520 17930 2788 1 12 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.387 -0.377 17930 2789 1 12 . 1 1 15 15 PHE H H 730 7.900 7.900 8.051 -0.151 17930 2790 1 12 . 1 1 16 16 GLU N N 731 119.516 119.516 118.161 1.355 17930 2791 1 12 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.985 0.080 17930 2792 1 12 . 1 1 16 16 GLU C C 731 177.892 177.892 178.773 -0.881 17930 2793 1 12 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.114 -1.290 17930 2794 1 12 . 1 1 16 16 GLU CB C 731 29.349 29.349 29.099 0.250 17930 2795 1 12 . 1 1 16 16 GLU H H 731 8.174 8.174 7.633 0.541 17930 2796 1 12 . 1 1 17 17 GLU N N 732 120.577 120.577 120.061 0.516 17930 2797 1 12 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.908 0.142 17930 2798 1 12 . 1 1 17 17 GLU C C 732 178.077 178.077 178.985 -0.908 17930 2799 1 12 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.654 -1.347 17930 2800 1 12 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.392 -0.004 17930 2801 1 12 . 1 1 17 17 GLU H H 732 8.145 8.145 8.560 -0.415 17930 2802 1 12 . 1 1 18 18 GLU N N 733 119.573 119.573 118.315 1.258 17930 2803 1 12 . 1 1 18 18 GLU HA H 733 4.056 4.056 3.966 0.090 17930 2804 1 12 . 1 1 18 18 GLU C C 733 177.346 177.346 178.695 -1.349 17930 2805 1 12 . 1 1 18 18 GLU CA C 733 58.298 58.298 59.336 -1.038 17930 2806 1 12 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.297 0.151 17930 2807 1 12 . 1 1 18 18 GLU H H 733 8.152 8.152 7.815 0.337 17930 2808 1 12 . 1 1 19 19 ARG N N 734 118.803 118.803 116.980 1.823 17930 2809 1 12 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.283 -0.251 17930 2810 1 12 . 1 1 19 19 ARG C C 734 177.328 177.328 177.557 -0.229 17930 2811 1 12 . 1 1 19 19 ARG CA C 734 58.397 58.397 57.614 0.783 17930 2812 1 12 . 1 1 19 19 ARG CB C 734 32.170 32.170 29.253 2.917 17930 2813 1 12 . 1 1 19 19 ARG H H 734 8.008 8.008 7.544 0.464 17930 2814 1 12 . 1 1 20 20 ALA N N 735 121.734 121.734 122.292 -0.558 17930 2815 1 12 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.365 -0.230 17930 2816 1 12 . 1 1 20 20 ALA C C 735 178.936 178.936 179.225 -0.289 17930 2817 1 12 . 1 1 20 20 ALA CA C 735 53.546 53.546 54.208 -0.662 17930 2818 1 12 . 1 1 20 20 ALA CB C 735 18.647 18.647 19.014 -0.367 17930 2819 1 12 . 1 1 20 20 ALA H H 735 7.877 7.877 8.512 -0.635 17930 2820 1 12 . 1 1 21 21 ARG N N 736 118.070 118.070 118.984 -0.914 17930 2821 1 12 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.201 -0.091 17930 2822 1 12 . 1 1 21 21 ARG C C 736 176.675 176.675 178.231 -1.556 17930 2823 1 12 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.704 -1.967 17930 2824 1 12 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.278 0.295 17930 2825 1 12 . 1 1 21 21 ARG H H 736 7.854 7.854 8.680 -0.826 17930 2826 1 12 . 1 1 22 22 ALA N N 737 122.582 122.582 120.207 2.375 17930 2827 1 12 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.216 -0.065 17930 2828 1 12 . 1 1 22 22 ALA C C 737 177.676 177.676 178.284 -0.608 17930 2829 1 12 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.164 -1.438 17930 2830 1 12 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.658 0.133 17930 2831 1 12 . 1 1 22 22 ALA H H 737 7.809 7.809 7.869 -0.060 17930 2832 1 12 . 1 1 23 23 LYS N N 738 118.494 118.494 115.428 3.066 17930 2833 1 12 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.253 -0.094 17930 2834 1 12 . 1 1 23 23 LYS C C 738 176.523 176.523 176.222 0.301 17930 2835 1 12 . 1 1 23 23 LYS CA C 738 56.468 56.468 57.046 -0.578 17930 2836 1 12 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.223 -2.597 17930 2837 1 12 . 1 1 23 23 LYS H H 738 7.854 7.854 7.637 0.217 17930 2838 1 12 . 1 1 24 24 TRP N N 739 120.538 120.538 121.192 -0.654 17930 2839 1 12 . 1 1 24 24 TRP HA H 739 4.599 4.599 5.042 -0.443 17930 2840 1 12 . 1 1 24 24 TRP C C 739 175.937 175.937 175.594 0.343 17930 2841 1 12 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.066 0.866 17930 2842 1 12 . 1 1 24 24 TRP CB C 739 29.522 29.522 28.968 0.554 17930 2843 1 12 . 1 1 24 24 TRP H H 739 7.967 7.967 8.725 -0.758 17930 2844 1 12 . 1 1 25 25 ASP N N 740 121.078 121.078 121.989 -0.911 17930 2845 1 12 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.254 -0.101 17930 2846 1 12 . 1 1 25 25 ASP C C 740 176.659 176.659 177.363 -0.704 17930 2847 1 12 . 1 1 25 25 ASP CA C 740 54.127 54.127 58.057 -3.930 17930 2848 1 12 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.820 0.206 17930 2849 1 12 . 1 1 25 25 ASP H H 740 8.219 8.219 8.077 0.142 17930 2850 1 12 . 1 1 26 26 THR N N 741 113.655 113.655 112.930 0.725 17930 2851 1 12 . 1 1 26 26 THR HA H 741 4.221 4.221 4.364 -0.143 17930 2852 1 12 . 1 1 26 26 THR C C 741 174.807 174.807 175.049 -0.242 17930 2853 1 12 . 1 1 26 26 THR CA C 741 62.439 62.439 64.443 -2.004 17930 2854 1 12 . 1 1 26 26 THR CB C 741 69.255 69.255 68.363 0.892 17930 2855 1 12 . 1 1 26 26 THR H H 741 7.946 7.946 8.318 -0.372 17930 2856 1 12 . 1 1 27 27 ALA N N 742 124.530 124.530 122.884 1.646 17930 2857 1 12 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.402 -0.209 17930 2858 1 12 . 1 1 27 27 ALA C C 742 177.516 177.516 179.120 -1.604 17930 2859 1 12 . 1 1 27 27 ALA CA C 742 52.937 52.937 54.016 -1.079 17930 2860 1 12 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.276 -0.302 17930 2861 1 12 . 1 1 27 27 ALA H H 742 8.116 8.116 7.774 0.342 17930 2862 1 12 . 1 1 28 28 ASN N N 743 116.065 116.065 115.997 0.068 17930 2863 1 12 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.771 -0.172 17930 2864 1 12 . 1 1 28 28 ASN C C 743 174.308 174.308 175.449 -1.141 17930 2865 1 12 . 1 1 28 28 ASN CA C 743 52.868 52.868 54.102 -1.234 17930 2866 1 12 . 1 1 28 28 ASN CB C 743 39.097 39.097 40.198 -1.101 17930 2867 1 12 . 1 1 28 28 ASN H H 743 8.048 8.048 8.374 -0.326 17930 2868 1 12 . 1 1 29 29 ASN N N 744 119.536 119.536 119.163 0.373 17930 2869 1 12 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.250 -0.642 17930 2870 1 12 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.746 0.194 17930 2871 1 12 . 1 1 29 29 ASN CB C 744 38.799 38.799 39.934 -1.135 17930 2872 1 12 . 1 1 29 29 ASN H H 744 8.031 8.031 7.943 0.088 17930 2873 1 12 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.411 -0.039 17930 2874 1 12 . 1 1 30 30 PRO C C 745 177.161 177.161 176.277 0.884 17930 2875 1 12 . 1 1 30 30 PRO CA C 745 63.583 63.583 64.405 -0.822 17930 2876 1 12 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.183 -0.242 17930 2877 1 12 . 1 1 34 34 GLU N N 749 121.102 121.102 120.580 0.522 17930 2878 1 12 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.189 0.017 17930 2879 1 12 . 1 1 34 34 GLU C C 749 176.842 176.842 177.936 -1.094 17930 2880 1 12 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.635 -1.937 17930 2881 1 12 . 1 1 34 34 GLU CB C 749 29.905 29.905 30.234 -0.329 17930 2882 1 12 . 1 1 34 34 GLU H H 749 8.216 8.216 8.832 -0.616 17930 2883 1 12 . 1 1 35 35 ALA N N 750 124.433 124.433 121.477 2.956 17930 2884 1 12 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.168 0.107 17930 2885 1 12 . 1 1 35 35 ALA C C 750 178.080 178.080 179.054 -0.974 17930 2886 1 12 . 1 1 35 35 ALA CA C 750 53.212 53.212 55.368 -2.156 17930 2887 1 12 . 1 1 35 35 ALA CB C 750 19.060 19.060 17.878 1.182 17930 2888 1 12 . 1 1 35 35 ALA H H 750 8.339 8.339 8.715 -0.376 17930 2889 1 12 . 1 1 36 36 THR N N 751 111.881 111.881 108.192 3.689 17930 2890 1 12 . 1 1 36 36 THR HA H 751 4.225 4.225 4.161 0.064 17930 2891 1 12 . 1 1 36 36 THR C C 751 175.174 175.174 175.992 -0.818 17930 2892 1 12 . 1 1 36 36 THR CA C 751 62.508 62.508 65.072 -2.564 17930 2893 1 12 . 1 1 36 36 THR CB C 751 69.600 69.600 68.352 1.248 17930 2894 1 12 . 1 1 36 36 THR H H 751 8.008 8.008 8.230 -0.222 17930 2895 1 12 . 1 1 37 37 SER N N 752 117.588 117.588 116.577 1.011 17930 2896 1 12 . 1 1 37 37 SER HA H 752 4.567 4.567 4.597 -0.030 17930 2897 1 12 . 1 1 37 37 SER C C 752 174.988 174.988 175.654 -0.666 17930 2898 1 12 . 1 1 37 37 SER CA C 752 58.856 58.856 60.344 -1.488 17930 2899 1 12 . 1 1 37 37 SER CB C 752 63.705 63.705 63.347 0.358 17930 2900 1 12 . 1 1 37 37 SER H H 752 8.168 8.168 7.891 0.277 17930 2901 1 12 . 1 1 38 38 THR N N 753 116.798 116.798 116.375 0.423 17930 2902 1 12 . 1 1 38 38 THR HA H 753 4.126 4.126 3.984 0.142 17930 2903 1 12 . 1 1 38 38 THR C C 753 174.719 174.719 174.342 0.377 17930 2904 1 12 . 1 1 38 38 THR CA C 753 62.889 62.889 65.195 -2.306 17930 2905 1 12 . 1 1 38 38 THR CB C 753 69.276 69.276 69.247 0.029 17930 2906 1 12 . 1 1 38 38 THR H H 753 8.105 8.105 7.694 0.411 17930 2907 1 12 . 1 1 39 39 PHE N N 754 120.288 120.288 118.448 1.840 17930 2908 1 12 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.942 -0.375 17930 2909 1 12 . 1 1 39 39 PHE C C 754 175.953 175.953 175.590 0.363 17930 2910 1 12 . 1 1 39 39 PHE CA C 754 58.289 58.289 56.620 1.669 17930 2911 1 12 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.747 -1.535 17930 2912 1 12 . 1 1 39 39 PHE H H 754 8.213 8.213 8.030 0.183 17930 2913 1 12 . 1 1 40 40 THR N N 755 113.153 113.153 113.143 0.010 17930 2914 1 12 . 1 1 40 40 THR HA H 755 4.159 4.159 4.406 -0.247 17930 2915 1 12 . 1 1 40 40 THR C C 755 174.225 174.225 173.669 0.556 17930 2916 1 12 . 1 1 40 40 THR CA C 755 62.446 62.446 62.178 0.268 17930 2917 1 12 . 1 1 40 40 THR CB C 755 69.403 69.403 70.098 -0.695 17930 2918 1 12 . 1 1 40 40 THR H H 755 7.871 7.871 8.318 -0.447 17930 2919 1 12 . 1 1 41 41 ASN N N 756 119.863 119.863 118.634 1.229 17930 2920 1 12 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.837 -0.238 17930 2921 1 12 . 1 1 41 41 ASN C C 756 175.231 175.231 173.761 1.470 17930 2922 1 12 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.456 0.169 17930 2923 1 12 . 1 1 41 41 ASN CB C 756 38.852 38.852 39.807 -0.955 17930 2924 1 12 . 1 1 41 41 ASN H H 756 8.213 8.213 7.879 0.334 17930 2925 1 12 . 1 1 42 42 ILE N N 757 119.671 119.671 122.750 -3.079 17930 2926 1 12 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.329 -0.196 17930 2927 1 12 . 1 1 42 42 ILE C C 757 175.709 175.709 176.555 -0.846 17930 2928 1 12 . 1 1 42 42 ILE CA C 757 61.607 61.607 60.047 1.560 17930 2929 1 12 . 1 1 42 42 ILE CB C 757 38.445 38.445 40.046 -1.601 17930 2930 1 12 . 1 1 42 42 ILE H H 757 7.860 7.860 8.349 -0.489 17930 2931 1 12 . 1 1 43 43 THR N N 758 115.737 115.737 117.546 -1.809 17930 2932 1 12 . 1 1 43 43 THR HA H 758 4.276 4.276 4.079 0.197 17930 2933 1 12 . 1 1 43 43 THR C C 758 173.978 173.978 175.400 -1.422 17930 2934 1 12 . 1 1 43 43 THR CA C 758 61.620 61.620 64.228 -2.608 17930 2935 1 12 . 1 1 43 43 THR CB C 758 69.640 69.640 68.587 1.053 17930 2936 1 12 . 1 1 43 43 THR H H 758 7.929 7.929 8.241 -0.312 17930 2937 1 12 . 1 1 44 44 TYR N N 759 122.351 122.351 118.992 3.359 17930 2938 1 12 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.662 -0.095 17930 2939 1 12 . 1 1 44 44 TYR C C 759 175.349 175.349 175.456 -0.107 17930 2940 1 12 . 1 1 44 44 TYR CA C 759 57.894 57.894 58.828 -0.934 17930 2941 1 12 . 1 1 44 44 TYR CB C 759 38.782 38.782 38.968 -0.186 17930 2942 1 12 . 1 1 44 44 TYR H H 759 8.048 8.048 7.467 0.581 17930 2943 1 12 . 1 1 45 45 ARG N N 760 122.717 122.717 120.156 2.561 17930 2944 1 12 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.194 0.072 17930 2945 1 12 . 1 1 45 45 ARG C C 760 176.141 176.141 175.663 0.478 17930 2946 1 12 . 1 1 45 45 ARG CA C 760 55.718 55.718 56.723 -1.005 17930 2947 1 12 . 1 1 45 45 ARG CB C 760 30.828 30.828 28.649 2.179 17930 2948 1 12 . 1 1 45 45 ARG H H 760 8.111 8.111 8.552 -0.441 17930 2949 1 12 . 1 1 46 46 GLY N N 761 109.046 109.046 104.853 4.193 17930 2950 1 12 . 1 1 46 46 GLY C C 761 173.235 173.235 173.493 -0.258 17930 2951 1 12 . 1 1 46 46 GLY CA C 761 45.272 45.272 45.658 -0.386 17930 2952 1 12 . 1 1 46 46 GLY H H 761 7.786 7.786 8.226 -0.440 17930 2953 1 13 . 1 1 2 2 LEU N N 717 119.998 119.998 122.586 -2.588 17930 2954 1 13 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.429 -0.299 17930 2955 1 13 . 1 1 2 2 LEU C C 717 177.845 177.845 177.652 0.193 17930 2956 1 13 . 1 1 2 2 LEU CA C 717 56.674 56.674 56.662 0.012 17930 2957 1 13 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.749 0.175 17930 2958 1 13 . 1 1 2 2 LEU H H 717 7.838 7.838 7.872 -0.034 17930 2959 1 13 . 1 1 3 3 LEU N N 718 118.244 118.244 118.779 -0.535 17930 2960 1 13 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.061 -0.004 17930 2961 1 13 . 1 1 3 3 LEU C C 718 177.838 177.838 178.599 -0.761 17930 2962 1 13 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.657 -0.714 17930 2963 1 13 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.162 0.644 17930 2964 1 13 . 1 1 3 3 LEU H H 718 7.727 7.727 7.956 -0.229 17930 2965 1 13 . 1 1 4 4 ILE N N 719 116.296 116.296 115.924 0.372 17930 2966 1 13 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.135 -0.224 17930 2967 1 13 . 1 1 4 4 ILE C C 719 176.887 176.887 178.609 -1.722 17930 2968 1 13 . 1 1 4 4 ILE CA C 719 62.960 62.960 62.673 0.287 17930 2969 1 13 . 1 1 4 4 ILE CB C 719 38.219 38.219 37.090 1.129 17930 2970 1 13 . 1 1 4 4 ILE H H 719 7.738 7.738 7.684 0.054 17930 2971 1 13 . 1 1 5 5 THR N N 720 114.599 114.599 117.790 -3.191 17930 2972 1 13 . 1 1 5 5 THR HA H 720 4.161 4.161 4.130 0.031 17930 2973 1 13 . 1 1 5 5 THR C C 720 175.578 175.578 176.473 -0.895 17930 2974 1 13 . 1 1 5 5 THR CA C 720 64.390 64.390 66.147 -1.757 17930 2975 1 13 . 1 1 5 5 THR CB C 720 69.027 69.027 68.569 0.458 17930 2976 1 13 . 1 1 5 5 THR H H 720 7.803 7.803 7.600 0.203 17930 2977 1 13 . 1 1 6 6 ILE N N 721 119.767 119.767 121.315 -1.548 17930 2978 1 13 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.620 0.289 17930 2979 1 13 . 1 1 6 6 ILE C C 721 176.119 176.119 177.262 -1.143 17930 2980 1 13 . 1 1 6 6 ILE CA C 721 63.025 63.025 65.430 -2.405 17930 2981 1 13 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.592 0.542 17930 2982 1 13 . 1 1 6 6 ILE H H 721 7.786 7.786 8.116 -0.330 17930 2983 1 13 . 1 1 7 7 HIS N N 722 118.437 118.437 118.869 -0.432 17930 2984 1 13 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.242 0.373 17930 2985 1 13 . 1 1 7 7 HIS CA C 722 57.344 57.344 60.010 -2.666 17930 2986 1 13 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.035 -0.660 17930 2987 1 13 . 1 1 7 7 HIS H H 722 8.134 8.134 7.770 0.364 17930 2988 1 13 . 1 1 8 8 ASP N N 723 118.080 118.080 118.697 -0.617 17930 2989 1 13 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.695 -0.101 17930 2990 1 13 . 1 1 8 8 ASP C C 723 176.711 176.711 178.025 -1.314 17930 2991 1 13 . 1 1 8 8 ASP CA C 723 54.176 54.176 56.874 -2.698 17930 2992 1 13 . 1 1 8 8 ASP CB C 723 41.480 41.480 41.244 0.236 17930 2993 1 13 . 1 1 8 8 ASP H H 723 8.025 8.025 7.873 0.152 17930 2994 1 13 . 1 1 9 9 ARG N N 724 120.693 120.693 119.440 1.253 17930 2995 1 13 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.140 0.064 17930 2996 1 13 . 1 1 9 9 ARG C C 724 177.662 177.662 177.337 0.325 17930 2997 1 13 . 1 1 9 9 ARG CA C 724 56.819 56.819 58.798 -1.979 17930 2998 1 13 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.102 2.601 17930 2999 1 13 . 1 1 9 9 ARG H H 724 8.219 8.219 8.415 -0.196 17930 3000 1 13 . 1 1 10 10 LYS N N 725 121.792 121.792 119.351 2.441 17930 3001 1 13 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.157 -0.017 17930 3002 1 13 . 1 1 10 10 LYS C C 725 178.127 178.127 178.605 -0.478 17930 3003 1 13 . 1 1 10 10 LYS CA C 725 57.637 57.637 59.037 -1.400 17930 3004 1 13 . 1 1 10 10 LYS CB C 725 32.190 32.190 32.843 -0.653 17930 3005 1 13 . 1 1 10 10 LYS H H 725 8.493 8.493 7.814 0.679 17930 3006 1 13 . 1 1 11 11 GLU N N 726 119.285 119.285 119.695 -0.410 17930 3007 1 13 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.043 0.053 17930 3008 1 13 . 1 1 11 11 GLU C C 726 177.688 177.688 178.851 -1.163 17930 3009 1 13 . 1 1 11 11 GLU CA C 726 58.406 58.406 59.570 -1.164 17930 3010 1 13 . 1 1 11 11 GLU CB C 726 29.340 29.340 29.675 -0.335 17930 3011 1 13 . 1 1 11 11 GLU H H 726 8.716 8.716 8.126 0.590 17930 3012 1 13 . 1 1 12 12 PHE N N 727 118.784 118.784 119.843 -1.059 17930 3013 1 13 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.245 0.133 17930 3014 1 13 . 1 1 12 12 PHE C C 727 176.358 176.358 176.967 -0.609 17930 3015 1 13 . 1 1 12 12 PHE CA C 727 59.332 59.332 60.230 -0.898 17930 3016 1 13 . 1 1 12 12 PHE CB C 727 39.160 39.160 38.895 0.265 17930 3017 1 13 . 1 1 12 12 PHE H H 727 7.906 7.906 7.461 0.445 17930 3018 1 13 . 1 1 13 13 ALA N N 728 122.197 122.197 121.655 0.542 17930 3019 1 13 . 1 1 13 13 ALA HA H 728 4.158 4.158 3.966 0.192 17930 3020 1 13 . 1 1 13 13 ALA C C 728 178.513 178.513 179.063 -0.550 17930 3021 1 13 . 1 1 13 13 ALA CA C 728 54.083 54.083 54.784 -0.701 17930 3022 1 13 . 1 1 13 13 ALA CB C 728 18.496 18.496 18.017 0.479 17930 3023 1 13 . 1 1 13 13 ALA H H 728 7.951 7.951 8.602 -0.651 17930 3024 1 13 . 1 1 14 14 LYS N N 729 117.742 117.742 118.504 -0.762 17930 3025 1 13 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.021 0.075 17930 3026 1 13 . 1 1 14 14 LYS C C 729 177.562 177.562 178.502 -0.940 17930 3027 1 13 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.413 -1.483 17930 3028 1 13 . 1 1 14 14 LYS CB C 729 30.515 30.515 31.894 -1.379 17930 3029 1 13 . 1 1 14 14 LYS H H 729 7.814 7.814 7.813 0.001 17930 3030 1 13 . 1 1 15 15 PHE N N 730 119.960 119.960 119.316 0.644 17930 3031 1 13 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.199 0.180 17930 3032 1 13 . 1 1 15 15 PHE C C 730 176.706 176.706 177.513 -0.807 17930 3033 1 13 . 1 1 15 15 PHE CA C 730 59.753 59.753 61.108 -1.355 17930 3034 1 13 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.437 -0.427 17930 3035 1 13 . 1 1 15 15 PHE H H 730 7.900 7.900 7.538 0.362 17930 3036 1 13 . 1 1 16 16 GLU N N 731 119.516 119.516 118.731 0.785 17930 3037 1 13 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.920 0.145 17930 3038 1 13 . 1 1 16 16 GLU C C 731 177.892 177.892 178.533 -0.641 17930 3039 1 13 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.054 -1.229 17930 3040 1 13 . 1 1 16 16 GLU CB C 731 29.349 29.349 28.961 0.388 17930 3041 1 13 . 1 1 16 16 GLU H H 731 8.174 8.174 7.903 0.271 17930 3042 1 13 . 1 1 17 17 GLU N N 732 120.577 120.577 120.574 0.003 17930 3043 1 13 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.914 0.136 17930 3044 1 13 . 1 1 17 17 GLU C C 732 178.077 178.077 178.979 -0.902 17930 3045 1 13 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.654 -1.347 17930 3046 1 13 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.408 -0.020 17930 3047 1 13 . 1 1 17 17 GLU H H 732 8.145 8.145 8.706 -0.561 17930 3048 1 13 . 1 1 18 18 GLU N N 733 119.573 119.573 118.138 1.435 17930 3049 1 13 . 1 1 18 18 GLU HA H 733 4.056 4.056 4.001 0.055 17930 3050 1 13 . 1 1 18 18 GLU C C 733 177.346 177.346 178.559 -1.213 17930 3051 1 13 . 1 1 18 18 GLU CA C 733 58.298 58.298 58.918 -0.620 17930 3052 1 13 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.255 0.192 17930 3053 1 13 . 1 1 18 18 GLU H H 733 8.152 8.152 7.651 0.501 17930 3054 1 13 . 1 1 19 19 ARG N N 734 118.803 118.803 118.845 -0.042 17930 3055 1 13 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.269 -0.237 17930 3056 1 13 . 1 1 19 19 ARG C C 734 177.328 177.328 178.226 -0.898 17930 3057 1 13 . 1 1 19 19 ARG CA C 734 58.397 58.397 57.588 0.809 17930 3058 1 13 . 1 1 19 19 ARG CB C 734 32.170 32.170 30.365 1.805 17930 3059 1 13 . 1 1 19 19 ARG H H 734 8.008 8.008 7.566 0.442 17930 3060 1 13 . 1 1 20 20 ALA N N 735 121.734 121.734 122.085 -0.351 17930 3061 1 13 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.130 0.005 17930 3062 1 13 . 1 1 20 20 ALA C C 735 178.936 178.936 179.619 -0.683 17930 3063 1 13 . 1 1 20 20 ALA CA C 735 53.546 53.546 55.171 -1.625 17930 3064 1 13 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.424 0.223 17930 3065 1 13 . 1 1 20 20 ALA H H 735 7.877 7.877 8.640 -0.763 17930 3066 1 13 . 1 1 21 21 ARG N N 736 118.070 118.070 118.607 -0.537 17930 3067 1 13 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.197 -0.088 17930 3068 1 13 . 1 1 21 21 ARG C C 736 176.675 176.675 178.450 -1.775 17930 3069 1 13 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.539 -1.802 17930 3070 1 13 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.359 0.214 17930 3071 1 13 . 1 1 21 21 ARG H H 736 7.854 7.854 8.443 -0.589 17930 3072 1 13 . 1 1 22 22 ALA N N 737 122.582 122.582 120.943 1.639 17930 3073 1 13 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.189 -0.038 17930 3074 1 13 . 1 1 22 22 ALA C C 737 177.676 177.676 178.466 -0.790 17930 3075 1 13 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.412 -1.686 17930 3076 1 13 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.660 0.131 17930 3077 1 13 . 1 1 22 22 ALA H H 737 7.809 7.809 8.062 -0.253 17930 3078 1 13 . 1 1 23 23 LYS N N 738 118.494 118.494 114.431 4.063 17930 3079 1 13 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.349 -0.190 17930 3080 1 13 . 1 1 23 23 LYS C C 738 176.523 176.523 176.876 -0.353 17930 3081 1 13 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.743 -0.275 17930 3082 1 13 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.401 -2.775 17930 3083 1 13 . 1 1 23 23 LYS H H 738 7.854 7.854 7.720 0.134 17930 3084 1 13 . 1 1 24 24 TRP N N 739 120.538 120.538 120.810 -0.272 17930 3085 1 13 . 1 1 24 24 TRP HA H 739 4.599 4.599 4.943 -0.344 17930 3086 1 13 . 1 1 24 24 TRP C C 739 175.937 175.937 175.010 0.927 17930 3087 1 13 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.423 0.509 17930 3088 1 13 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.362 0.160 17930 3089 1 13 . 1 1 24 24 TRP H H 739 7.967 7.967 8.689 -0.722 17930 3090 1 13 . 1 1 25 25 ASP N N 740 121.078 121.078 121.643 -0.565 17930 3091 1 13 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.215 -0.062 17930 3092 1 13 . 1 1 25 25 ASP C C 740 176.659 176.659 177.503 -0.844 17930 3093 1 13 . 1 1 25 25 ASP CA C 740 54.127 54.127 58.500 -4.373 17930 3094 1 13 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.858 0.168 17930 3095 1 13 . 1 1 25 25 ASP H H 740 8.219 8.219 8.095 0.124 17930 3096 1 13 . 1 1 26 26 THR N N 741 113.655 113.655 112.159 1.496 17930 3097 1 13 . 1 1 26 26 THR HA H 741 4.221 4.221 4.370 -0.149 17930 3098 1 13 . 1 1 26 26 THR C C 741 174.807 174.807 174.868 -0.061 17930 3099 1 13 . 1 1 26 26 THR CA C 741 62.439 62.439 63.728 -1.290 17930 3100 1 13 . 1 1 26 26 THR CB C 741 69.255 69.255 68.899 0.356 17930 3101 1 13 . 1 1 26 26 THR H H 741 7.946 7.946 8.352 -0.406 17930 3102 1 13 . 1 1 27 27 ALA N N 742 124.530 124.530 121.678 2.852 17930 3103 1 13 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.538 -0.345 17930 3104 1 13 . 1 1 27 27 ALA C C 742 177.516 177.516 178.235 -0.719 17930 3105 1 13 . 1 1 27 27 ALA CA C 742 52.937 52.937 53.553 -0.616 17930 3106 1 13 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.634 -0.660 17930 3107 1 13 . 1 1 27 27 ALA H H 742 8.116 8.116 7.767 0.349 17930 3108 1 13 . 1 1 28 28 ASN N N 743 116.065 116.065 115.420 0.645 17930 3109 1 13 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.841 -0.242 17930 3110 1 13 . 1 1 28 28 ASN C C 743 174.308 174.308 175.184 -0.876 17930 3111 1 13 . 1 1 28 28 ASN CA C 743 52.868 52.868 53.701 -0.833 17930 3112 1 13 . 1 1 28 28 ASN CB C 743 39.097 39.097 41.213 -2.116 17930 3113 1 13 . 1 1 28 28 ASN H H 743 8.048 8.048 8.241 -0.193 17930 3114 1 13 . 1 1 29 29 ASN N N 744 119.536 119.536 119.773 -0.237 17930 3115 1 13 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.205 -0.597 17930 3116 1 13 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.886 0.054 17930 3117 1 13 . 1 1 29 29 ASN CB C 744 38.799 38.799 39.972 -1.173 17930 3118 1 13 . 1 1 29 29 ASN H H 744 8.031 8.031 8.144 -0.113 17930 3119 1 13 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.377 -0.005 17930 3120 1 13 . 1 1 30 30 PRO C C 745 177.161 177.161 176.075 1.086 17930 3121 1 13 . 1 1 30 30 PRO CA C 745 63.583 63.583 64.126 -0.543 17930 3122 1 13 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.275 -0.334 17930 3123 1 13 . 1 1 34 34 GLU N N 749 121.102 121.102 119.439 1.663 17930 3124 1 13 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.336 -0.130 17930 3125 1 13 . 1 1 34 34 GLU C C 749 176.842 176.842 177.034 -0.192 17930 3126 1 13 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.140 -1.442 17930 3127 1 13 . 1 1 34 34 GLU CB C 749 29.905 29.905 30.046 -0.141 17930 3128 1 13 . 1 1 34 34 GLU H H 749 8.216 8.216 8.800 -0.584 17930 3129 1 13 . 1 1 35 35 ALA N N 750 124.433 124.433 121.212 3.221 17930 3130 1 13 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.636 -0.361 17930 3131 1 13 . 1 1 35 35 ALA C C 750 178.080 178.080 178.460 -0.380 17930 3132 1 13 . 1 1 35 35 ALA CA C 750 53.212 53.212 52.206 1.006 17930 3133 1 13 . 1 1 35 35 ALA CB C 750 19.060 19.060 19.760 -0.700 17930 3134 1 13 . 1 1 35 35 ALA H H 750 8.339 8.339 7.853 0.486 17930 3135 1 13 . 1 1 36 36 THR N N 751 111.881 111.881 114.134 -2.253 17930 3136 1 13 . 1 1 36 36 THR HA H 751 4.225 4.225 4.005 0.220 17930 3137 1 13 . 1 1 36 36 THR C C 751 175.174 175.174 175.970 -0.796 17930 3138 1 13 . 1 1 36 36 THR CA C 751 62.508 62.508 66.395 -3.887 17930 3139 1 13 . 1 1 36 36 THR CB C 751 69.600 69.600 68.735 0.865 17930 3140 1 13 . 1 1 36 36 THR H H 751 8.008 8.008 8.085 -0.077 17930 3141 1 13 . 1 1 37 37 SER N N 752 117.588 117.588 112.503 5.085 17930 3142 1 13 . 1 1 37 37 SER HA H 752 4.567 4.567 4.603 -0.036 17930 3143 1 13 . 1 1 37 37 SER C C 752 174.988 174.988 175.362 -0.374 17930 3144 1 13 . 1 1 37 37 SER CA C 752 58.856 58.856 59.999 -1.143 17930 3145 1 13 . 1 1 37 37 SER CB C 752 63.705 63.705 63.504 0.202 17930 3146 1 13 . 1 1 37 37 SER H H 752 8.168 8.168 8.427 -0.259 17930 3147 1 13 . 1 1 38 38 THR N N 753 116.798 116.798 116.232 0.566 17930 3148 1 13 . 1 1 38 38 THR HA H 753 4.126 4.126 3.964 0.162 17930 3149 1 13 . 1 1 38 38 THR C C 753 174.719 174.719 174.225 0.494 17930 3150 1 13 . 1 1 38 38 THR CA C 753 62.889 62.889 65.260 -2.372 17930 3151 1 13 . 1 1 38 38 THR CB C 753 69.276 69.276 69.069 0.207 17930 3152 1 13 . 1 1 38 38 THR H H 753 8.105 8.105 7.836 0.269 17930 3153 1 13 . 1 1 39 39 PHE N N 754 120.288 120.288 118.467 1.821 17930 3154 1 13 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.948 -0.381 17930 3155 1 13 . 1 1 39 39 PHE C C 754 175.953 175.953 175.665 0.288 17930 3156 1 13 . 1 1 39 39 PHE CA C 754 58.289 58.289 55.779 2.510 17930 3157 1 13 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.549 -1.337 17930 3158 1 13 . 1 1 39 39 PHE H H 754 8.213 8.213 8.136 0.077 17930 3159 1 13 . 1 1 40 40 THR N N 755 113.153 113.153 111.452 1.701 17930 3160 1 13 . 1 1 40 40 THR HA H 755 4.159 4.159 4.176 -0.017 17930 3161 1 13 . 1 1 40 40 THR C C 755 174.225 174.225 174.373 -0.148 17930 3162 1 13 . 1 1 40 40 THR CA C 755 62.446 62.446 64.936 -2.490 17930 3163 1 13 . 1 1 40 40 THR CB C 755 69.403 69.403 69.589 -0.186 17930 3164 1 13 . 1 1 40 40 THR H H 755 7.871 7.871 8.291 -0.420 17930 3165 1 13 . 1 1 41 41 ASN N N 756 119.863 119.863 118.453 1.410 17930 3166 1 13 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.874 -0.275 17930 3167 1 13 . 1 1 41 41 ASN C C 756 175.231 175.231 173.499 1.732 17930 3168 1 13 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.273 0.352 17930 3169 1 13 . 1 1 41 41 ASN CB C 756 38.852 38.852 39.702 -0.850 17930 3170 1 13 . 1 1 41 41 ASN H H 756 8.213 8.213 8.131 0.082 17930 3171 1 13 . 1 1 42 42 ILE N N 757 119.671 119.671 124.606 -4.935 17930 3172 1 13 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.359 -0.226 17930 3173 1 13 . 1 1 42 42 ILE C C 757 175.709 175.709 175.860 -0.151 17930 3174 1 13 . 1 1 42 42 ILE CA C 757 61.607 61.607 59.237 2.370 17930 3175 1 13 . 1 1 42 42 ILE CB C 757 38.445 38.445 39.672 -1.227 17930 3176 1 13 . 1 1 42 42 ILE H H 757 7.860 7.860 7.832 0.028 17930 3177 1 13 . 1 1 43 43 THR N N 758 115.737 115.737 114.711 1.026 17930 3178 1 13 . 1 1 43 43 THR HA H 758 4.276 4.276 3.936 0.340 17930 3179 1 13 . 1 1 43 43 THR C C 758 173.978 173.978 175.068 -1.090 17930 3180 1 13 . 1 1 43 43 THR CA C 758 61.620 61.620 64.730 -3.110 17930 3181 1 13 . 1 1 43 43 THR CB C 758 69.640 69.640 68.864 0.776 17930 3182 1 13 . 1 1 43 43 THR H H 758 7.929 7.929 8.195 -0.266 17930 3183 1 13 . 1 1 44 44 TYR N N 759 122.351 122.351 116.656 5.695 17930 3184 1 13 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.619 -0.052 17930 3185 1 13 . 1 1 44 44 TYR C C 759 175.349 175.349 174.983 0.366 17930 3186 1 13 . 1 1 44 44 TYR CA C 759 57.894 57.894 58.101 -0.207 17930 3187 1 13 . 1 1 44 44 TYR CB C 759 38.782 38.782 39.864 -1.082 17930 3188 1 13 . 1 1 44 44 TYR H H 759 8.048 8.048 7.612 0.436 17930 3189 1 13 . 1 1 45 45 ARG N N 760 122.717 122.717 118.450 4.267 17930 3190 1 13 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.078 0.188 17930 3191 1 13 . 1 1 45 45 ARG C C 760 176.141 176.141 175.291 0.850 17930 3192 1 13 . 1 1 45 45 ARG CA C 760 55.718 55.718 57.342 -1.624 17930 3193 1 13 . 1 1 45 45 ARG CB C 760 30.828 30.828 28.976 1.852 17930 3194 1 13 . 1 1 45 45 ARG H H 760 8.111 8.111 8.414 -0.303 17930 3195 1 13 . 1 1 46 46 GLY N N 761 109.046 109.046 102.443 6.603 17930 3196 1 13 . 1 1 46 46 GLY C C 761 173.235 173.235 173.020 0.215 17930 3197 1 13 . 1 1 46 46 GLY CA C 761 45.272 45.272 45.387 -0.115 17930 3198 1 13 . 1 1 46 46 GLY H H 761 7.786 7.786 8.080 -0.294 17930 3199 1 14 . 1 1 2 2 LEU N N 717 119.998 119.998 122.776 -2.778 17930 3200 1 14 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.277 -0.147 17930 3201 1 14 . 1 1 2 2 LEU C C 717 177.845 177.845 177.270 0.575 17930 3202 1 14 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.399 -0.725 17930 3203 1 14 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.344 0.580 17930 3204 1 14 . 1 1 2 2 LEU H H 717 7.838 7.838 7.925 -0.087 17930 3205 1 14 . 1 1 3 3 LEU N N 718 118.244 118.244 114.303 3.941 17930 3206 1 14 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.205 -0.148 17930 3207 1 14 . 1 1 3 3 LEU C C 718 177.838 177.838 177.435 0.403 17930 3208 1 14 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.354 -0.411 17930 3209 1 14 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.057 0.749 17930 3210 1 14 . 1 1 3 3 LEU H H 718 7.727 7.727 8.001 -0.274 17930 3211 1 14 . 1 1 4 4 ILE N N 719 116.296 116.296 117.217 -0.921 17930 3212 1 14 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.139 -0.228 17930 3213 1 14 . 1 1 4 4 ILE C C 719 176.887 176.887 177.722 -0.835 17930 3214 1 14 . 1 1 4 4 ILE CA C 719 62.960 62.960 63.480 -0.520 17930 3215 1 14 . 1 1 4 4 ILE CB C 719 38.219 38.219 38.530 -0.311 17930 3216 1 14 . 1 1 4 4 ILE H H 719 7.738 7.738 7.237 0.501 17930 3217 1 14 . 1 1 5 5 THR N N 720 114.599 114.599 117.364 -2.765 17930 3218 1 14 . 1 1 5 5 THR HA H 720 4.161 4.161 4.175 -0.014 17930 3219 1 14 . 1 1 5 5 THR C C 720 175.578 175.578 176.493 -0.915 17930 3220 1 14 . 1 1 5 5 THR CA C 720 64.390 64.390 65.683 -1.293 17930 3221 1 14 . 1 1 5 5 THR CB C 720 69.027 69.027 68.348 0.679 17930 3222 1 14 . 1 1 5 5 THR H H 720 7.803 7.803 7.757 0.046 17930 3223 1 14 . 1 1 6 6 ILE N N 721 119.767 119.767 121.212 -1.445 17930 3224 1 14 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.626 0.283 17930 3225 1 14 . 1 1 6 6 ILE C C 721 176.119 176.119 177.488 -1.369 17930 3226 1 14 . 1 1 6 6 ILE CA C 721 63.025 63.025 65.511 -2.486 17930 3227 1 14 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.545 0.588 17930 3228 1 14 . 1 1 6 6 ILE H H 721 7.786 7.786 7.602 0.184 17930 3229 1 14 . 1 1 7 7 HIS N N 722 118.437 118.437 118.515 -0.078 17930 3230 1 14 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.233 0.382 17930 3231 1 14 . 1 1 7 7 HIS CA C 722 57.344 57.344 59.469 -2.125 17930 3232 1 14 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.590 -1.215 17930 3233 1 14 . 1 1 7 7 HIS H H 722 8.134 8.134 7.729 0.405 17930 3234 1 14 . 1 1 8 8 ASP N N 723 118.080 118.080 120.137 -2.057 17930 3235 1 14 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.542 0.052 17930 3236 1 14 . 1 1 8 8 ASP C C 723 176.711 176.711 178.494 -1.783 17930 3237 1 14 . 1 1 8 8 ASP CA C 723 54.176 54.176 57.823 -3.647 17930 3238 1 14 . 1 1 8 8 ASP CB C 723 41.480 41.480 40.706 0.774 17930 3239 1 14 . 1 1 8 8 ASP H H 723 8.025 8.025 7.809 0.216 17930 3240 1 14 . 1 1 9 9 ARG N N 724 120.693 120.693 118.739 1.954 17930 3241 1 14 . 1 1 9 9 ARG HA H 724 4.204 4.204 3.996 0.208 17930 3242 1 14 . 1 1 9 9 ARG C C 724 177.662 177.662 178.019 -0.357 17930 3243 1 14 . 1 1 9 9 ARG CA C 724 56.819 56.819 59.361 -2.542 17930 3244 1 14 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.223 2.480 17930 3245 1 14 . 1 1 9 9 ARG H H 724 8.219 8.219 8.298 -0.079 17930 3246 1 14 . 1 1 10 10 LYS N N 725 121.792 121.792 118.116 3.676 17930 3247 1 14 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.197 -0.057 17930 3248 1 14 . 1 1 10 10 LYS C C 725 178.127 178.127 178.349 -0.222 17930 3249 1 14 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.175 -0.538 17930 3250 1 14 . 1 1 10 10 LYS CB C 725 32.190 32.190 31.973 0.217 17930 3251 1 14 . 1 1 10 10 LYS H H 725 8.493 8.493 7.305 1.188 17930 3252 1 14 . 1 1 11 11 GLU N N 726 119.285 119.285 118.945 0.340 17930 3253 1 14 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.185 -0.089 17930 3254 1 14 . 1 1 11 11 GLU C C 726 177.688 177.688 178.430 -0.742 17930 3255 1 14 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.168 0.238 17930 3256 1 14 . 1 1 11 11 GLU CB C 726 29.340 29.340 29.728 -0.388 17930 3257 1 14 . 1 1 11 11 GLU H H 726 8.716 8.716 7.670 1.046 17930 3258 1 14 . 1 1 12 12 PHE N N 727 118.784 118.784 119.903 -1.119 17930 3259 1 14 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.431 -0.053 17930 3260 1 14 . 1 1 12 12 PHE C C 727 176.358 176.358 177.032 -0.674 17930 3261 1 14 . 1 1 12 12 PHE CA C 727 59.332 59.332 59.767 -0.435 17930 3262 1 14 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.440 -0.280 17930 3263 1 14 . 1 1 12 12 PHE H H 727 7.906 7.906 8.022 -0.116 17930 3264 1 14 . 1 1 13 13 ALA N N 728 122.197 122.197 122.077 0.120 17930 3265 1 14 . 1 1 13 13 ALA HA H 728 4.158 4.158 3.879 0.279 17930 3266 1 14 . 1 1 13 13 ALA C C 728 178.513 178.513 179.200 -0.687 17930 3267 1 14 . 1 1 13 13 ALA CA C 728 54.083 54.083 54.954 -0.871 17930 3268 1 14 . 1 1 13 13 ALA CB C 728 18.496 18.496 17.956 0.540 17930 3269 1 14 . 1 1 13 13 ALA H H 728 7.951 7.951 8.506 -0.555 17930 3270 1 14 . 1 1 14 14 LYS N N 729 117.742 117.742 118.563 -0.821 17930 3271 1 14 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.241 -0.145 17930 3272 1 14 . 1 1 14 14 LYS C C 729 177.562 177.562 178.413 -0.851 17930 3273 1 14 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.084 -1.154 17930 3274 1 14 . 1 1 14 14 LYS CB C 729 30.515 30.515 31.972 -1.457 17930 3275 1 14 . 1 1 14 14 LYS H H 729 7.814 7.814 7.746 0.068 17930 3276 1 14 . 1 1 15 15 PHE N N 730 119.960 119.960 118.946 1.014 17930 3277 1 14 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.270 0.109 17930 3278 1 14 . 1 1 15 15 PHE C C 730 176.706 176.706 177.302 -0.596 17930 3279 1 14 . 1 1 15 15 PHE CA C 730 59.753 59.753 60.961 -1.208 17930 3280 1 14 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.911 -0.901 17930 3281 1 14 . 1 1 15 15 PHE H H 730 7.900 7.900 7.705 0.195 17930 3282 1 14 . 1 1 16 16 GLU N N 731 119.516 119.516 119.373 0.143 17930 3283 1 14 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.916 0.149 17930 3284 1 14 . 1 1 16 16 GLU C C 731 177.892 177.892 178.584 -0.692 17930 3285 1 14 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.321 -1.496 17930 3286 1 14 . 1 1 16 16 GLU CB C 731 29.349 29.349 28.871 0.478 17930 3287 1 14 . 1 1 16 16 GLU H H 731 8.174 8.174 8.246 -0.072 17930 3288 1 14 . 1 1 17 17 GLU N N 732 120.577 120.577 119.805 0.772 17930 3289 1 14 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.929 0.121 17930 3290 1 14 . 1 1 17 17 GLU C C 732 178.077 178.077 179.049 -0.972 17930 3291 1 14 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.163 -0.856 17930 3292 1 14 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.360 0.028 17930 3293 1 14 . 1 1 17 17 GLU H H 732 8.145 8.145 8.660 -0.515 17930 3294 1 14 . 1 1 18 18 GLU N N 733 119.573 119.573 118.663 0.910 17930 3295 1 14 . 1 1 18 18 GLU HA H 733 4.056 4.056 4.065 -0.009 17930 3296 1 14 . 1 1 18 18 GLU C C 733 177.346 177.346 178.267 -0.921 17930 3297 1 14 . 1 1 18 18 GLU CA C 733 58.298 58.298 58.747 -0.449 17930 3298 1 14 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.140 0.307 17930 3299 1 14 . 1 1 18 18 GLU H H 733 8.152 8.152 7.628 0.524 17930 3300 1 14 . 1 1 19 19 ARG N N 734 118.803 118.803 119.489 -0.686 17930 3301 1 14 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.234 -0.202 17930 3302 1 14 . 1 1 19 19 ARG C C 734 177.328 177.328 177.676 -0.348 17930 3303 1 14 . 1 1 19 19 ARG CA C 734 58.397 58.397 57.182 1.215 17930 3304 1 14 . 1 1 19 19 ARG CB C 734 32.170 32.170 30.120 2.050 17930 3305 1 14 . 1 1 19 19 ARG H H 734 8.008 8.008 7.586 0.422 17930 3306 1 14 . 1 1 20 20 ALA N N 735 121.734 121.734 121.166 0.568 17930 3307 1 14 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.415 -0.280 17930 3308 1 14 . 1 1 20 20 ALA C C 735 178.936 178.936 179.195 -0.259 17930 3309 1 14 . 1 1 20 20 ALA CA C 735 53.546 53.546 54.335 -0.789 17930 3310 1 14 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.979 -0.332 17930 3311 1 14 . 1 1 20 20 ALA H H 735 7.877 7.877 8.459 -0.582 17930 3312 1 14 . 1 1 21 21 ARG N N 736 118.070 118.070 120.137 -2.067 17930 3313 1 14 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.290 -0.180 17930 3314 1 14 . 1 1 21 21 ARG C C 736 176.675 176.675 178.215 -1.540 17930 3315 1 14 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.399 -1.662 17930 3316 1 14 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.169 0.404 17930 3317 1 14 . 1 1 21 21 ARG H H 736 7.854 7.854 8.164 -0.310 17930 3318 1 14 . 1 1 22 22 ALA N N 737 122.582 122.582 120.560 2.022 17930 3319 1 14 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.206 -0.055 17930 3320 1 14 . 1 1 22 22 ALA C C 737 177.676 177.676 178.338 -0.662 17930 3321 1 14 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.062 -1.336 17930 3322 1 14 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.728 0.063 17930 3323 1 14 . 1 1 22 22 ALA H H 737 7.809 7.809 8.007 -0.198 17930 3324 1 14 . 1 1 23 23 LYS N N 738 118.494 118.494 117.025 1.469 17930 3325 1 14 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.304 -0.145 17930 3326 1 14 . 1 1 23 23 LYS C C 738 176.523 176.523 176.376 0.147 17930 3327 1 14 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.843 -0.375 17930 3328 1 14 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.209 -2.583 17930 3329 1 14 . 1 1 23 23 LYS H H 738 7.854 7.854 7.738 0.116 17930 3330 1 14 . 1 1 24 24 TRP N N 739 120.538 120.538 121.492 -0.954 17930 3331 1 14 . 1 1 24 24 TRP HA H 739 4.599 4.599 5.036 -0.437 17930 3332 1 14 . 1 1 24 24 TRP C C 739 175.937 175.937 175.583 0.354 17930 3333 1 14 . 1 1 24 24 TRP CA C 739 56.932 56.932 55.571 1.361 17930 3334 1 14 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.587 -0.065 17930 3335 1 14 . 1 1 24 24 TRP H H 739 7.967 7.967 8.776 -0.809 17930 3336 1 14 . 1 1 25 25 ASP N N 740 121.078 121.078 121.114 -0.036 17930 3337 1 14 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.301 -0.148 17930 3338 1 14 . 1 1 25 25 ASP C C 740 176.659 176.659 177.321 -0.662 17930 3339 1 14 . 1 1 25 25 ASP CA C 740 54.127 54.127 58.057 -3.930 17930 3340 1 14 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.241 0.785 17930 3341 1 14 . 1 1 25 25 ASP H H 740 8.219 8.219 8.213 0.006 17930 3342 1 14 . 1 1 26 26 THR N N 741 113.655 113.655 113.217 0.438 17930 3343 1 14 . 1 1 26 26 THR HA H 741 4.221 4.221 4.319 -0.097 17930 3344 1 14 . 1 1 26 26 THR C C 741 174.807 174.807 174.657 0.150 17930 3345 1 14 . 1 1 26 26 THR CA C 741 62.439 62.439 63.592 -1.153 17930 3346 1 14 . 1 1 26 26 THR CB C 741 69.255 69.255 68.909 0.346 17930 3347 1 14 . 1 1 26 26 THR H H 741 7.946 7.946 8.186 -0.240 17930 3348 1 14 . 1 1 27 27 ALA N N 742 124.530 124.530 122.639 1.891 17930 3349 1 14 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.453 -0.260 17930 3350 1 14 . 1 1 27 27 ALA C C 742 177.516 177.516 179.155 -1.639 17930 3351 1 14 . 1 1 27 27 ALA CA C 742 52.937 52.937 53.930 -0.993 17930 3352 1 14 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.243 -0.269 17930 3353 1 14 . 1 1 27 27 ALA H H 742 8.116 8.116 7.715 0.401 17930 3354 1 14 . 1 1 28 28 ASN N N 743 116.065 116.065 115.686 0.379 17930 3355 1 14 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.762 -0.163 17930 3356 1 14 . 1 1 28 28 ASN C C 743 174.308 174.308 175.400 -1.092 17930 3357 1 14 . 1 1 28 28 ASN CA C 743 52.868 52.868 54.747 -1.879 17930 3358 1 14 . 1 1 28 28 ASN CB C 743 39.097 39.097 40.301 -1.204 17930 3359 1 14 . 1 1 28 28 ASN H H 743 8.048 8.048 8.359 -0.311 17930 3360 1 14 . 1 1 29 29 ASN N N 744 119.536 119.536 117.701 1.835 17930 3361 1 14 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.212 -0.604 17930 3362 1 14 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.623 0.317 17930 3363 1 14 . 1 1 29 29 ASN CB C 744 38.799 38.799 40.322 -1.523 17930 3364 1 14 . 1 1 29 29 ASN H H 744 8.031 8.031 7.867 0.164 17930 3365 1 14 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.467 -0.095 17930 3366 1 14 . 1 1 30 30 PRO C C 745 177.161 177.161 176.041 1.120 17930 3367 1 14 . 1 1 30 30 PRO CA C 745 63.583 63.583 63.558 0.025 17930 3368 1 14 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.343 -0.402 17930 3369 1 14 . 1 1 34 34 GLU N N 749 121.102 121.102 120.381 0.721 17930 3370 1 14 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.262 -0.056 17930 3371 1 14 . 1 1 34 34 GLU C C 749 176.842 176.842 177.941 -1.099 17930 3372 1 14 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.452 -1.754 17930 3373 1 14 . 1 1 34 34 GLU CB C 749 29.905 29.905 29.811 0.094 17930 3374 1 14 . 1 1 34 34 GLU H H 749 8.216 8.216 8.758 -0.542 17930 3375 1 14 . 1 1 35 35 ALA N N 750 124.433 124.433 122.511 1.922 17930 3376 1 14 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.233 0.042 17930 3377 1 14 . 1 1 35 35 ALA C C 750 178.080 178.080 179.184 -1.104 17930 3378 1 14 . 1 1 35 35 ALA CA C 750 53.212 53.212 54.325 -1.113 17930 3379 1 14 . 1 1 35 35 ALA CB C 750 19.060 19.060 18.024 1.036 17930 3380 1 14 . 1 1 35 35 ALA H H 750 8.339 8.339 8.328 0.011 17930 3381 1 14 . 1 1 36 36 THR N N 751 111.881 111.881 113.711 -1.830 17930 3382 1 14 . 1 1 36 36 THR HA H 751 4.225 4.225 4.044 0.181 17930 3383 1 14 . 1 1 36 36 THR C C 751 175.174 175.174 176.024 -0.850 17930 3384 1 14 . 1 1 36 36 THR CA C 751 62.508 62.508 66.500 -3.992 17930 3385 1 14 . 1 1 36 36 THR CB C 751 69.600 69.600 68.187 1.413 17930 3386 1 14 . 1 1 36 36 THR H H 751 8.008 8.008 8.201 -0.193 17930 3387 1 14 . 1 1 37 37 SER N N 752 117.588 117.588 115.854 1.734 17930 3388 1 14 . 1 1 37 37 SER HA H 752 4.567 4.567 4.375 0.192 17930 3389 1 14 . 1 1 37 37 SER C C 752 174.988 174.988 175.827 -0.839 17930 3390 1 14 . 1 1 37 37 SER CA C 752 58.856 58.856 61.215 -2.359 17930 3391 1 14 . 1 1 37 37 SER CB C 752 63.705 63.705 63.100 0.605 17930 3392 1 14 . 1 1 37 37 SER H H 752 8.168 8.168 7.528 0.640 17930 3393 1 14 . 1 1 38 38 THR N N 753 116.798 116.798 114.919 1.879 17930 3394 1 14 . 1 1 38 38 THR HA H 753 4.126 4.126 4.057 0.069 17930 3395 1 14 . 1 1 38 38 THR C C 753 174.719 174.719 174.408 0.311 17930 3396 1 14 . 1 1 38 38 THR CA C 753 62.889 62.889 64.278 -1.389 17930 3397 1 14 . 1 1 38 38 THR CB C 753 69.276 69.276 69.048 0.228 17930 3398 1 14 . 1 1 38 38 THR H H 753 8.105 8.105 7.914 0.191 17930 3399 1 14 . 1 1 39 39 PHE N N 754 120.288 120.288 118.474 1.814 17930 3400 1 14 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.905 -0.338 17930 3401 1 14 . 1 1 39 39 PHE C C 754 175.953 175.953 175.624 0.329 17930 3402 1 14 . 1 1 39 39 PHE CA C 754 58.289 58.289 56.421 1.868 17930 3403 1 14 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.260 -1.048 17930 3404 1 14 . 1 1 39 39 PHE H H 754 8.213 8.213 7.540 0.673 17930 3405 1 14 . 1 1 40 40 THR N N 755 113.153 113.153 111.544 1.609 17930 3406 1 14 . 1 1 40 40 THR HA H 755 4.159 4.159 4.391 -0.232 17930 3407 1 14 . 1 1 40 40 THR C C 755 174.225 174.225 173.883 0.342 17930 3408 1 14 . 1 1 40 40 THR CA C 755 62.446 62.446 62.184 0.262 17930 3409 1 14 . 1 1 40 40 THR CB C 755 69.403 69.403 70.643 -1.240 17930 3410 1 14 . 1 1 40 40 THR H H 755 7.871 7.871 8.299 -0.428 17930 3411 1 14 . 1 1 41 41 ASN N N 756 119.863 119.863 120.777 -0.914 17930 3412 1 14 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.969 -0.370 17930 3413 1 14 . 1 1 41 41 ASN C C 756 175.231 175.231 173.718 1.513 17930 3414 1 14 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.027 0.598 17930 3415 1 14 . 1 1 41 41 ASN CB C 756 38.852 38.852 40.006 -1.154 17930 3416 1 14 . 1 1 41 41 ASN H H 756 8.213 8.213 8.193 0.020 17930 3417 1 14 . 1 1 42 42 ILE N N 757 119.671 119.671 121.187 -1.516 17930 3418 1 14 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.288 -0.155 17930 3419 1 14 . 1 1 42 42 ILE C C 757 175.709 175.709 176.180 -0.471 17930 3420 1 14 . 1 1 42 42 ILE CA C 757 61.607 61.607 59.955 1.653 17930 3421 1 14 . 1 1 42 42 ILE CB C 757 38.445 38.445 39.600 -1.155 17930 3422 1 14 . 1 1 42 42 ILE H H 757 7.860 7.860 8.133 -0.273 17930 3423 1 14 . 1 1 43 43 THR N N 758 115.737 115.737 116.651 -0.914 17930 3424 1 14 . 1 1 43 43 THR HA H 758 4.276 4.276 4.058 0.218 17930 3425 1 14 . 1 1 43 43 THR C C 758 173.978 173.978 175.371 -1.393 17930 3426 1 14 . 1 1 43 43 THR CA C 758 61.620 61.620 64.264 -2.644 17930 3427 1 14 . 1 1 43 43 THR CB C 758 69.640 69.640 69.075 0.565 17930 3428 1 14 . 1 1 43 43 THR H H 758 7.929 7.929 8.350 -0.421 17930 3429 1 14 . 1 1 44 44 TYR N N 759 122.351 122.351 118.740 3.611 17930 3430 1 14 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.692 -0.125 17930 3431 1 14 . 1 1 44 44 TYR C C 759 175.349 175.349 175.662 -0.313 17930 3432 1 14 . 1 1 44 44 TYR CA C 759 57.894 57.894 58.685 -0.791 17930 3433 1 14 . 1 1 44 44 TYR CB C 759 38.782 38.782 39.163 -0.381 17930 3434 1 14 . 1 1 44 44 TYR H H 759 8.048 8.048 7.594 0.454 17930 3435 1 14 . 1 1 45 45 ARG N N 760 122.717 122.717 117.657 5.060 17930 3436 1 14 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.080 0.186 17930 3437 1 14 . 1 1 45 45 ARG C C 760 176.141 176.141 174.857 1.284 17930 3438 1 14 . 1 1 45 45 ARG CA C 760 55.718 55.718 57.641 -1.923 17930 3439 1 14 . 1 1 45 45 ARG CB C 760 30.828 30.828 29.692 1.136 17930 3440 1 14 . 1 1 45 45 ARG H H 760 8.111 8.111 8.334 -0.223 17930 3441 1 14 . 1 1 46 46 GLY N N 761 109.046 109.046 103.075 5.971 17930 3442 1 14 . 1 1 46 46 GLY C C 761 173.235 173.235 173.079 0.156 17930 3443 1 14 . 1 1 46 46 GLY CA C 761 45.272 45.272 44.956 0.316 17930 3444 1 14 . 1 1 46 46 GLY H H 761 7.786 7.786 8.115 -0.329 17930 3445 1 15 . 1 1 2 2 LEU N N 717 119.998 119.998 122.826 -2.828 17930 3446 1 15 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.276 -0.146 17930 3447 1 15 . 1 1 2 2 LEU C C 717 177.845 177.845 177.301 0.544 17930 3448 1 15 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.493 -0.819 17930 3449 1 15 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.313 0.611 17930 3450 1 15 . 1 1 2 2 LEU H H 717 7.838 7.838 7.923 -0.085 17930 3451 1 15 . 1 1 3 3 LEU N N 718 118.244 118.244 114.634 3.610 17930 3452 1 15 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.194 -0.137 17930 3453 1 15 . 1 1 3 3 LEU C C 718 177.838 177.838 177.645 0.193 17930 3454 1 15 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.495 -0.552 17930 3455 1 15 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.348 0.458 17930 3456 1 15 . 1 1 3 3 LEU H H 718 7.727 7.727 8.138 -0.411 17930 3457 1 15 . 1 1 4 4 ILE N N 719 116.296 116.296 117.933 -1.637 17930 3458 1 15 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.246 -0.335 17930 3459 1 15 . 1 1 4 4 ILE C C 719 176.887 176.887 177.961 -1.074 17930 3460 1 15 . 1 1 4 4 ILE CA C 719 62.960 62.960 61.457 1.503 17930 3461 1 15 . 1 1 4 4 ILE CB C 719 38.219 38.219 37.780 0.439 17930 3462 1 15 . 1 1 4 4 ILE H H 719 7.738 7.738 7.468 0.270 17930 3463 1 15 . 1 1 5 5 THR N N 720 114.599 114.599 117.513 -2.914 17930 3464 1 15 . 1 1 5 5 THR HA H 720 4.161 4.161 4.142 0.019 17930 3465 1 15 . 1 1 5 5 THR C C 720 175.578 175.578 176.473 -0.895 17930 3466 1 15 . 1 1 5 5 THR CA C 720 64.390 64.390 65.955 -1.565 17930 3467 1 15 . 1 1 5 5 THR CB C 720 69.027 69.027 68.606 0.421 17930 3468 1 15 . 1 1 5 5 THR H H 720 7.803 7.803 8.023 -0.220 17930 3469 1 15 . 1 1 6 6 ILE N N 721 119.767 119.767 120.936 -1.169 17930 3470 1 15 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.617 0.292 17930 3471 1 15 . 1 1 6 6 ILE C C 721 176.119 176.119 177.267 -1.148 17930 3472 1 15 . 1 1 6 6 ILE CA C 721 63.025 63.025 64.955 -1.930 17930 3473 1 15 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.718 0.416 17930 3474 1 15 . 1 1 6 6 ILE H H 721 7.786 7.786 7.478 0.308 17930 3475 1 15 . 1 1 7 7 HIS N N 722 118.437 118.437 117.672 0.765 17930 3476 1 15 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.372 0.243 17930 3477 1 15 . 1 1 7 7 HIS CA C 722 57.344 57.344 58.896 -1.552 17930 3478 1 15 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.417 -1.042 17930 3479 1 15 . 1 1 7 7 HIS H H 722 8.134 8.134 7.659 0.475 17930 3480 1 15 . 1 1 8 8 ASP N N 723 118.080 118.080 117.516 0.564 17930 3481 1 15 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.798 -0.204 17930 3482 1 15 . 1 1 8 8 ASP C C 723 176.711 176.711 176.806 -0.095 17930 3483 1 15 . 1 1 8 8 ASP CA C 723 54.176 54.176 55.373 -1.197 17930 3484 1 15 . 1 1 8 8 ASP CB C 723 41.480 41.480 41.227 0.253 17930 3485 1 15 . 1 1 8 8 ASP H H 723 8.025 8.025 7.541 0.484 17930 3486 1 15 . 1 1 9 9 ARG N N 724 120.693 120.693 119.284 1.409 17930 3487 1 15 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.171 0.033 17930 3488 1 15 . 1 1 9 9 ARG C C 724 177.662 177.662 177.000 0.662 17930 3489 1 15 . 1 1 9 9 ARG CA C 724 56.819 56.819 58.876 -2.057 17930 3490 1 15 . 1 1 9 9 ARG CB C 724 32.703 32.703 29.722 2.981 17930 3491 1 15 . 1 1 9 9 ARG H H 724 8.219 8.219 7.916 0.303 17930 3492 1 15 . 1 1 10 10 LYS N N 725 121.792 121.792 119.868 1.924 17930 3493 1 15 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.131 0.009 17930 3494 1 15 . 1 1 10 10 LYS C C 725 178.127 178.127 177.949 0.178 17930 3495 1 15 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.526 -0.889 17930 3496 1 15 . 1 1 10 10 LYS CB C 725 32.190 32.190 31.473 0.717 17930 3497 1 15 . 1 1 10 10 LYS H H 725 8.493 8.493 8.084 0.409 17930 3498 1 15 . 1 1 11 11 GLU N N 726 119.285 119.285 119.592 -0.307 17930 3499 1 15 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.300 -0.204 17930 3500 1 15 . 1 1 11 11 GLU C C 726 177.688 177.688 178.508 -0.820 17930 3501 1 15 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.775 -0.369 17930 3502 1 15 . 1 1 11 11 GLU CB C 726 29.340 29.340 29.884 -0.544 17930 3503 1 15 . 1 1 11 11 GLU H H 726 8.716 8.716 7.741 0.975 17930 3504 1 15 . 1 1 12 12 PHE N N 727 118.784 118.784 119.568 -0.784 17930 3505 1 15 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.364 0.014 17930 3506 1 15 . 1 1 12 12 PHE C C 727 176.358 176.358 176.836 -0.478 17930 3507 1 15 . 1 1 12 12 PHE CA C 727 59.332 59.332 60.326 -0.994 17930 3508 1 15 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.355 -0.195 17930 3509 1 15 . 1 1 12 12 PHE H H 727 7.906 7.906 8.806 -0.900 17930 3510 1 15 . 1 1 13 13 ALA N N 728 122.197 122.197 121.844 0.353 17930 3511 1 15 . 1 1 13 13 ALA HA H 728 4.158 4.158 3.883 0.275 17930 3512 1 15 . 1 1 13 13 ALA C C 728 178.513 178.513 179.578 -1.065 17930 3513 1 15 . 1 1 13 13 ALA CA C 728 54.083 54.083 54.985 -0.902 17930 3514 1 15 . 1 1 13 13 ALA CB C 728 18.496 18.496 18.082 0.414 17930 3515 1 15 . 1 1 13 13 ALA H H 728 7.951 7.951 7.789 0.162 17930 3516 1 15 . 1 1 14 14 LYS N N 729 117.742 117.742 117.434 0.308 17930 3517 1 15 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.053 0.043 17930 3518 1 15 . 1 1 14 14 LYS C C 729 177.562 177.562 178.983 -1.421 17930 3519 1 15 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.463 -1.533 17930 3520 1 15 . 1 1 14 14 LYS CB C 729 30.515 30.515 32.065 -1.550 17930 3521 1 15 . 1 1 14 14 LYS H H 729 7.814 7.814 7.765 0.049 17930 3522 1 15 . 1 1 15 15 PHE N N 730 119.960 119.960 120.371 -0.411 17930 3523 1 15 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.268 0.111 17930 3524 1 15 . 1 1 15 15 PHE C C 730 176.706 176.706 177.213 -0.507 17930 3525 1 15 . 1 1 15 15 PHE CA C 730 59.753 59.753 61.219 -1.466 17930 3526 1 15 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.972 -0.962 17930 3527 1 15 . 1 1 15 15 PHE H H 730 7.900 7.900 7.750 0.150 17930 3528 1 15 . 1 1 16 16 GLU N N 731 119.516 119.516 118.324 1.192 17930 3529 1 15 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.981 0.084 17930 3530 1 15 . 1 1 16 16 GLU C C 731 177.892 177.892 178.798 -0.906 17930 3531 1 15 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.264 -1.439 17930 3532 1 15 . 1 1 16 16 GLU CB C 731 29.349 29.349 28.976 0.374 17930 3533 1 15 . 1 1 16 16 GLU H H 731 8.174 8.174 8.558 -0.384 17930 3534 1 15 . 1 1 17 17 GLU N N 732 120.577 120.577 119.709 0.868 17930 3535 1 15 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.997 0.053 17930 3536 1 15 . 1 1 17 17 GLU C C 732 178.077 178.077 179.024 -0.947 17930 3537 1 15 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.206 -0.899 17930 3538 1 15 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.271 0.117 17930 3539 1 15 . 1 1 17 17 GLU H H 732 8.145 8.145 8.595 -0.450 17930 3540 1 15 . 1 1 18 18 GLU N N 733 119.573 119.573 119.286 0.287 17930 3541 1 15 . 1 1 18 18 GLU HA H 733 4.056 4.056 3.962 0.094 17930 3542 1 15 . 1 1 18 18 GLU C C 733 177.346 177.346 178.779 -1.433 17930 3543 1 15 . 1 1 18 18 GLU CA C 733 58.298 58.298 59.330 -1.032 17930 3544 1 15 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.216 0.231 17930 3545 1 15 . 1 1 18 18 GLU H H 733 8.152 8.152 7.566 0.586 17930 3546 1 15 . 1 1 19 19 ARG N N 734 118.803 118.803 117.626 1.177 17930 3547 1 15 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.253 -0.221 17930 3548 1 15 . 1 1 19 19 ARG C C 734 177.328 177.328 178.391 -1.063 17930 3549 1 15 . 1 1 19 19 ARG CA C 734 58.397 58.397 57.328 1.069 17930 3550 1 15 . 1 1 19 19 ARG CB C 734 32.170 32.170 29.752 2.418 17930 3551 1 15 . 1 1 19 19 ARG H H 734 8.008 8.008 7.548 0.460 17930 3552 1 15 . 1 1 20 20 ALA N N 735 121.734 121.734 122.039 -0.305 17930 3553 1 15 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.186 -0.051 17930 3554 1 15 . 1 1 20 20 ALA C C 735 178.936 178.936 179.507 -0.571 17930 3555 1 15 . 1 1 20 20 ALA CA C 735 53.546 53.546 54.942 -1.396 17930 3556 1 15 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.553 0.094 17930 3557 1 15 . 1 1 20 20 ALA H H 735 7.877 7.877 8.591 -0.714 17930 3558 1 15 . 1 1 21 21 ARG N N 736 118.070 118.070 119.066 -0.996 17930 3559 1 15 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.276 -0.166 17930 3560 1 15 . 1 1 21 21 ARG C C 736 176.675 176.675 178.241 -1.566 17930 3561 1 15 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.481 -1.744 17930 3562 1 15 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.284 0.289 17930 3563 1 15 . 1 1 21 21 ARG H H 736 7.854 7.854 8.646 -0.791 17930 3564 1 15 . 1 1 22 22 ALA N N 737 122.582 122.582 120.571 2.011 17930 3565 1 15 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.181 -0.030 17930 3566 1 15 . 1 1 22 22 ALA C C 737 177.676 177.676 178.026 -0.350 17930 3567 1 15 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.264 -1.538 17930 3568 1 15 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.626 0.165 17930 3569 1 15 . 1 1 22 22 ALA H H 737 7.809 7.809 8.026 -0.217 17930 3570 1 15 . 1 1 23 23 LYS N N 738 118.494 118.494 114.521 3.973 17930 3571 1 15 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.361 -0.202 17930 3572 1 15 . 1 1 23 23 LYS C C 738 176.523 176.523 177.033 -0.510 17930 3573 1 15 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.543 -0.075 17930 3574 1 15 . 1 1 23 23 LYS CB C 738 32.626 32.626 34.481 -1.855 17930 3575 1 15 . 1 1 23 23 LYS H H 738 7.854 7.854 7.564 0.290 17930 3576 1 15 . 1 1 24 24 TRP N N 739 120.538 120.538 121.912 -1.374 17930 3577 1 15 . 1 1 24 24 TRP HA H 739 4.599 4.599 4.988 -0.389 17930 3578 1 15 . 1 1 24 24 TRP C C 739 175.937 175.937 175.432 0.505 17930 3579 1 15 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.340 0.592 17930 3580 1 15 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.365 0.157 17930 3581 1 15 . 1 1 24 24 TRP H H 739 7.967 7.967 8.632 -0.665 17930 3582 1 15 . 1 1 25 25 ASP N N 740 121.078 121.078 122.914 -1.836 17930 3583 1 15 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.219 -0.066 17930 3584 1 15 . 1 1 25 25 ASP C C 740 176.659 176.659 177.415 -0.756 17930 3585 1 15 . 1 1 25 25 ASP CA C 740 54.127 54.127 58.862 -4.735 17930 3586 1 15 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.953 0.073 17930 3587 1 15 . 1 1 25 25 ASP H H 740 8.219 8.219 8.142 0.077 17930 3588 1 15 . 1 1 26 26 THR N N 741 113.655 113.655 112.585 1.070 17930 3589 1 15 . 1 1 26 26 THR HA H 741 4.221 4.221 4.130 0.091 17930 3590 1 15 . 1 1 26 26 THR C C 741 174.807 174.807 174.849 -0.042 17930 3591 1 15 . 1 1 26 26 THR CA C 741 62.439 62.439 64.252 -1.813 17930 3592 1 15 . 1 1 26 26 THR CB C 741 69.255 69.255 68.804 0.451 17930 3593 1 15 . 1 1 26 26 THR H H 741 7.946 7.946 8.383 -0.437 17930 3594 1 15 . 1 1 27 27 ALA N N 742 124.530 124.530 122.417 2.113 17930 3595 1 15 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.532 -0.339 17930 3596 1 15 . 1 1 27 27 ALA C C 742 177.516 177.516 179.055 -1.539 17930 3597 1 15 . 1 1 27 27 ALA CA C 742 52.937 52.937 53.779 -0.841 17930 3598 1 15 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.714 -0.740 17930 3599 1 15 . 1 1 27 27 ALA H H 742 8.116 8.116 7.769 0.347 17930 3600 1 15 . 1 1 28 28 ASN N N 743 116.065 116.065 115.542 0.523 17930 3601 1 15 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.770 -0.171 17930 3602 1 15 . 1 1 28 28 ASN C C 743 174.308 174.308 175.503 -1.195 17930 3603 1 15 . 1 1 28 28 ASN CA C 743 52.868 52.868 54.935 -2.067 17930 3604 1 15 . 1 1 28 28 ASN CB C 743 39.097 39.097 40.463 -1.366 17930 3605 1 15 . 1 1 28 28 ASN H H 743 8.048 8.048 8.425 -0.377 17930 3606 1 15 . 1 1 29 29 ASN N N 744 119.536 119.536 118.007 1.529 17930 3607 1 15 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.141 -0.533 17930 3608 1 15 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.874 0.066 17930 3609 1 15 . 1 1 29 29 ASN CB C 744 38.799 38.799 41.817 -3.018 17930 3610 1 15 . 1 1 29 29 ASN H H 744 8.031 8.031 8.078 -0.047 17930 3611 1 15 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.496 -0.124 17930 3612 1 15 . 1 1 30 30 PRO C C 745 177.161 177.161 176.255 0.906 17930 3613 1 15 . 1 1 30 30 PRO CA C 745 63.583 63.583 64.305 -0.722 17930 3614 1 15 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.239 -0.298 17930 3615 1 15 . 1 1 34 34 GLU N N 749 121.102 121.102 120.832 0.270 17930 3616 1 15 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.124 0.082 17930 3617 1 15 . 1 1 34 34 GLU C C 749 176.842 176.842 178.525 -1.683 17930 3618 1 15 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.806 -2.108 17930 3619 1 15 . 1 1 34 34 GLU CB C 749 29.905 29.905 29.826 0.079 17930 3620 1 15 . 1 1 34 34 GLU H H 749 8.216 8.216 8.896 -0.680 17930 3621 1 15 . 1 1 35 35 ALA N N 750 124.433 124.433 120.395 4.038 17930 3622 1 15 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.341 -0.066 17930 3623 1 15 . 1 1 35 35 ALA C C 750 178.080 178.080 178.574 -0.494 17930 3624 1 15 . 1 1 35 35 ALA CA C 750 53.212 53.212 54.432 -1.220 17930 3625 1 15 . 1 1 35 35 ALA CB C 750 19.060 19.060 18.059 1.001 17930 3626 1 15 . 1 1 35 35 ALA H H 750 8.339 8.339 8.391 -0.052 17930 3627 1 15 . 1 1 36 36 THR N N 751 111.881 111.881 114.027 -2.146 17930 3628 1 15 . 1 1 36 36 THR HA H 751 4.225 4.225 4.135 0.090 17930 3629 1 15 . 1 1 36 36 THR C C 751 175.174 175.174 176.306 -1.132 17930 3630 1 15 . 1 1 36 36 THR CA C 751 62.508 62.508 66.311 -3.803 17930 3631 1 15 . 1 1 36 36 THR CB C 751 69.600 69.600 68.326 1.274 17930 3632 1 15 . 1 1 36 36 THR H H 751 8.008 8.008 8.103 -0.095 17930 3633 1 15 . 1 1 37 37 SER N N 752 117.588 117.588 115.188 2.400 17930 3634 1 15 . 1 1 37 37 SER HA H 752 4.567 4.567 4.356 0.211 17930 3635 1 15 . 1 1 37 37 SER C C 752 174.988 174.988 175.980 -0.992 17930 3636 1 15 . 1 1 37 37 SER CA C 752 58.856 58.856 61.080 -2.224 17930 3637 1 15 . 1 1 37 37 SER CB C 752 63.705 63.705 63.276 0.429 17930 3638 1 15 . 1 1 37 37 SER H H 752 8.168 8.168 7.677 0.491 17930 3639 1 15 . 1 1 38 38 THR N N 753 116.798 116.798 113.728 3.070 17930 3640 1 15 . 1 1 38 38 THR HA H 753 4.126 4.126 4.179 -0.053 17930 3641 1 15 . 1 1 38 38 THR C C 753 174.719 174.719 174.132 0.587 17930 3642 1 15 . 1 1 38 38 THR CA C 753 62.889 62.889 63.209 -0.320 17930 3643 1 15 . 1 1 38 38 THR CB C 753 69.276 69.276 69.054 0.222 17930 3644 1 15 . 1 1 38 38 THR H H 753 8.105 8.105 7.534 0.571 17930 3645 1 15 . 1 1 39 39 PHE N N 754 120.288 120.288 118.875 1.413 17930 3646 1 15 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.939 -0.372 17930 3647 1 15 . 1 1 39 39 PHE C C 754 175.953 175.953 175.164 0.789 17930 3648 1 15 . 1 1 39 39 PHE CA C 754 58.289 58.289 56.816 1.473 17930 3649 1 15 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.712 -1.500 17930 3650 1 15 . 1 1 39 39 PHE H H 754 8.213 8.213 8.001 0.212 17930 3651 1 15 . 1 1 40 40 THR N N 755 113.153 113.153 111.791 1.362 17930 3652 1 15 . 1 1 40 40 THR HA H 755 4.159 4.159 4.377 -0.218 17930 3653 1 15 . 1 1 40 40 THR C C 755 174.225 174.225 173.805 0.420 17930 3654 1 15 . 1 1 40 40 THR CA C 755 62.446 62.446 62.320 0.126 17930 3655 1 15 . 1 1 40 40 THR CB C 755 69.403 69.403 70.244 -0.841 17930 3656 1 15 . 1 1 40 40 THR H H 755 7.871 7.871 8.312 -0.441 17930 3657 1 15 . 1 1 41 41 ASN N N 756 119.863 119.863 119.209 0.654 17930 3658 1 15 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.847 -0.248 17930 3659 1 15 . 1 1 41 41 ASN C C 756 175.231 175.231 173.894 1.337 17930 3660 1 15 . 1 1 41 41 ASN CA C 756 53.625 53.625 52.956 0.669 17930 3661 1 15 . 1 1 41 41 ASN CB C 756 38.852 38.852 38.862 -0.010 17930 3662 1 15 . 1 1 41 41 ASN H H 756 8.213 8.213 8.136 0.077 17930 3663 1 15 . 1 1 42 42 ILE N N 757 119.671 119.671 123.202 -3.531 17930 3664 1 15 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.432 -0.299 17930 3665 1 15 . 1 1 42 42 ILE C C 757 175.709 175.709 176.660 -0.951 17930 3666 1 15 . 1 1 42 42 ILE CA C 757 61.607 61.607 58.722 2.885 17930 3667 1 15 . 1 1 42 42 ILE CB C 757 38.445 38.445 40.352 -1.907 17930 3668 1 15 . 1 1 42 42 ILE H H 757 7.860 7.860 7.871 -0.011 17930 3669 1 15 . 1 1 43 43 THR N N 758 115.737 115.737 115.573 0.164 17930 3670 1 15 . 1 1 43 43 THR HA H 758 4.276 4.276 4.113 0.163 17930 3671 1 15 . 1 1 43 43 THR C C 758 173.978 173.978 175.939 -1.961 17930 3672 1 15 . 1 1 43 43 THR CA C 758 61.620 61.620 64.590 -2.970 17930 3673 1 15 . 1 1 43 43 THR CB C 758 69.640 69.640 68.797 0.842 17930 3674 1 15 . 1 1 43 43 THR H H 758 7.929 7.929 8.265 -0.336 17930 3675 1 15 . 1 1 44 44 TYR N N 759 122.351 122.351 120.086 2.265 17930 3676 1 15 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.526 0.041 17930 3677 1 15 . 1 1 44 44 TYR C C 759 175.349 175.349 175.382 -0.033 17930 3678 1 15 . 1 1 44 44 TYR CA C 759 57.894 57.894 59.201 -1.307 17930 3679 1 15 . 1 1 44 44 TYR CB C 759 38.782 38.782 38.895 -0.113 17930 3680 1 15 . 1 1 44 44 TYR H H 759 8.048 8.048 7.699 0.349 17930 3681 1 15 . 1 1 45 45 ARG N N 760 122.717 122.717 119.586 3.131 17930 3682 1 15 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.149 0.117 17930 3683 1 15 . 1 1 45 45 ARG C C 760 176.141 176.141 175.677 0.464 17930 3684 1 15 . 1 1 45 45 ARG CA C 760 55.718 55.718 56.613 -0.895 17930 3685 1 15 . 1 1 45 45 ARG CB C 760 30.828 30.828 28.840 1.988 17930 3686 1 15 . 1 1 45 45 ARG H H 760 8.111 8.111 8.258 -0.147 17930 3687 1 15 . 1 1 46 46 GLY N N 761 109.046 109.046 107.240 1.806 17930 3688 1 15 . 1 1 46 46 GLY C C 761 173.235 173.235 173.407 -0.172 17930 3689 1 15 . 1 1 46 46 GLY CA C 761 45.272 45.272 44.849 0.423 17930 3690 1 15 . 1 1 46 46 GLY H H 761 7.786 7.786 8.356 -0.570 17930 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 41 2.344 -0.735 2.254 17930 2 1 1 "Average Difference" HA 43 0.214 0.052 0.210 17930 3 1 1 "Average Difference" C 40 0.927 0.527 0.772 17930 4 1 1 "Average Difference" CA 42 1.713 0.989 1.415 17930 5 1 1 "Average Difference" CB 41 0.967 0.004 0.979 17930 6 1 1 "Average Difference" HN 41 0.447 0.032 0.451 17930 7 1 2 "Average Difference" N 41 2.004 -0.517 1.961 17930 8 1 2 "Average Difference" HA 43 0.223 0.056 0.219 17930 9 1 2 "Average Difference" C 40 0.914 0.533 0.752 17930 10 1 2 "Average Difference" CA 42 1.560 0.961 1.244 17930 11 1 2 "Average Difference" CB 41 1.028 -0.086 1.037 17930 12 1 2 "Average Difference" HN 41 0.431 -0.007 0.436 17930 13 1 3 "Average Difference" N 41 2.207 -0.830 2.070 17930 14 1 3 "Average Difference" HA 43 0.196 0.054 0.191 17930 15 1 3 "Average Difference" C 40 0.869 0.453 0.751 17930 16 1 3 "Average Difference" CA 42 1.548 0.930 1.252 17930 17 1 3 "Average Difference" CB 41 1.030 0.047 1.042 17930 18 1 3 "Average Difference" HN 41 0.362 -0.007 0.366 17930 19 1 4 "Average Difference" N 41 1.843 -0.334 1.835 17930 20 1 4 "Average Difference" HA 43 0.195 0.042 0.193 17930 21 1 4 "Average Difference" C 40 0.857 0.465 0.729 17930 22 1 4 "Average Difference" CA 42 1.474 0.893 1.187 17930 23 1 4 "Average Difference" CB 41 1.118 -0.094 1.127 17930 24 1 4 "Average Difference" HN 41 0.451 0.019 0.456 17930 25 1 5 "Average Difference" N 41 2.354 -0.706 2.274 17930 26 1 5 "Average Difference" HA 43 0.212 0.045 0.210 17930 27 1 5 "Average Difference" C 40 0.841 0.455 0.716 17930 28 1 5 "Average Difference" CA 42 1.704 1.040 1.367 17930 29 1 5 "Average Difference" CB 41 1.019 0.013 1.032 17930 30 1 5 "Average Difference" HN 41 0.420 0.017 0.425 17930 31 1 6 "Average Difference" N 41 1.940 -0.604 1.866 17930 32 1 6 "Average Difference" HA 43 0.202 0.037 0.201 17930 33 1 6 "Average Difference" C 40 0.833 0.452 0.709 17930 34 1 6 "Average Difference" CA 42 1.574 0.932 1.284 17930 35 1 6 "Average Difference" CB 41 1.010 -0.134 1.013 17930 36 1 6 "Average Difference" HN 41 0.477 -0.008 0.483 17930 37 1 7 "Average Difference" N 41 2.126 -0.573 2.073 17930 38 1 7 "Average Difference" HA 43 0.212 0.037 0.211 17930 39 1 7 "Average Difference" C 40 0.820 0.414 0.717 17930 40 1 7 "Average Difference" CA 42 1.625 1.072 1.235 17930 41 1 7 "Average Difference" CB 41 0.992 -0.011 1.005 17930 42 1 7 "Average Difference" HN 41 0.458 0.020 0.464 17930 43 1 8 "Average Difference" N 41 1.919 -0.538 1.865 17930 44 1 8 "Average Difference" HA 43 0.224 0.064 0.217 17930 45 1 8 "Average Difference" C 40 0.973 0.583 0.789 17930 46 1 8 "Average Difference" CA 42 1.722 1.118 1.326 17930 47 1 8 "Average Difference" CB 41 1.019 -0.022 1.032 17930 48 1 8 "Average Difference" HN 41 0.460 0.072 0.460 17930 49 1 9 "Average Difference" N 41 2.558 -0.812 2.456 17930 50 1 9 "Average Difference" HA 43 0.226 0.080 0.214 17930 51 1 9 "Average Difference" C 40 0.843 0.469 0.709 17930 52 1 9 "Average Difference" CA 42 1.730 1.026 1.409 17930 53 1 9 "Average Difference" CB 41 0.985 0.040 0.996 17930 54 1 9 "Average Difference" HN 41 0.432 0.005 0.437 17930 55 1 10 "Average Difference" N 41 2.279 -0.753 2.178 17930 56 1 10 "Average Difference" HA 43 0.211 0.064 0.203 17930 57 1 10 "Average Difference" C 40 0.922 0.500 0.785 17930 58 1 10 "Average Difference" CA 42 1.665 1.005 1.344 17930 59 1 10 "Average Difference" CB 41 1.021 0.003 1.033 17930 60 1 10 "Average Difference" HN 41 0.461 0.031 0.466 17930 61 1 11 "Average Difference" N 41 2.081 -0.713 1.979 17930 62 1 11 "Average Difference" HA 43 0.204 0.038 0.202 17930 63 1 11 "Average Difference" C 40 0.873 0.406 0.783 17930 64 1 11 "Average Difference" CA 42 1.624 0.971 1.318 17930 65 1 11 "Average Difference" CB 41 1.050 0.026 1.063 17930 66 1 11 "Average Difference" HN 41 0.440 0.040 0.444 17930 67 1 12 "Average Difference" N 41 1.964 -0.588 1.897 17930 68 1 12 "Average Difference" HA 43 0.199 0.058 0.192 17930 69 1 12 "Average Difference" C 40 0.913 0.539 0.746 17930 70 1 12 "Average Difference" CA 42 1.600 1.022 1.247 17930 71 1 12 "Average Difference" CB 41 1.101 -0.110 1.109 17930 72 1 12 "Average Difference" HN 41 0.469 0.044 0.473 17930 73 1 13 "Average Difference" N 41 2.400 -0.754 2.307 17930 74 1 13 "Average Difference" HA 43 0.213 0.040 0.211 17930 75 1 13 "Average Difference" C 40 0.861 0.420 0.761 17930 76 1 13 "Average Difference" CA 42 1.744 1.046 1.412 17930 77 1 13 "Average Difference" CB 41 0.998 0.048 1.009 17930 78 1 13 "Average Difference" HN 41 0.384 0.029 0.387 17930 79 1 14 "Average Difference" N 41 2.082 -0.607 2.016 17930 80 1 14 "Average Difference" HA 43 0.212 0.061 0.206 17930 81 1 14 "Average Difference" C 40 0.883 0.430 0.782 17930 82 1 14 "Average Difference" CA 42 1.663 0.976 1.363 17930 83 1 14 "Average Difference" CB 41 0.991 -0.006 1.004 17930 84 1 14 "Average Difference" HN 41 0.433 -0.022 0.438 17930 85 1 15 "Average Difference" N 41 1.915 -0.586 1.846 17930 86 1 15 "Average Difference" HA 43 0.197 0.057 0.191 17930 87 1 15 "Average Difference" C 40 0.938 0.480 0.816 17930 88 1 15 "Average Difference" CA 42 1.666 0.956 1.381 17930 89 1 15 "Average Difference" CB 41 1.116 -0.024 1.130 17930 90 1 15 "Average Difference" HN 41 0.438 0.024 0.443 17930 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 17930 _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 2 2 LEU N N 717 119.998 119.998 122.788 -2.790 17930 2 1 . 1 1 2 2 LEU HA H 717 4.130 4.130 4.265 -0.135 17930 3 1 . 1 1 2 2 LEU C C 717 177.845 177.845 177.597 0.248 17930 4 1 . 1 1 2 2 LEU CA C 717 56.674 56.674 57.284 -0.610 17930 5 1 . 1 1 2 2 LEU CB C 717 41.924 41.924 41.357 0.567 17930 6 1 . 1 1 2 2 LEU H H 717 7.838 7.838 7.942 -0.104 17930 7 1 . 1 1 3 3 LEU N N 718 118.244 118.244 116.014 2.230 17930 8 1 . 1 1 3 3 LEU HA H 718 4.057 4.057 4.118 -0.061 17930 9 1 . 1 1 3 3 LEU C C 718 177.838 177.838 178.195 -0.357 17930 10 1 . 1 1 3 3 LEU CA C 718 56.943 56.943 57.528 -0.585 17930 11 1 . 1 1 3 3 LEU CB C 718 41.806 41.806 41.284 0.522 17930 12 1 . 1 1 3 3 LEU H H 718 7.727 7.727 8.006 -0.279 17930 13 1 . 1 1 4 4 ILE N N 719 116.296 116.296 116.538 -0.242 17930 14 1 . 1 1 4 4 ILE HA H 719 3.911 3.911 4.155 -0.244 17930 15 1 . 1 1 4 4 ILE C C 719 176.887 176.887 178.113 -1.226 17930 16 1 . 1 1 4 4 ILE CA C 719 62.960 62.960 62.242 0.718 17930 17 1 . 1 1 4 4 ILE CB C 719 38.219 38.219 37.865 0.354 17930 18 1 . 1 1 4 4 ILE H H 719 7.738 7.738 7.555 0.183 17930 19 1 . 1 1 5 5 THR N N 720 114.599 114.599 117.540 -2.941 17930 20 1 . 1 1 5 5 THR HA H 720 4.161 4.161 4.176 -0.015 17930 21 1 . 1 1 5 5 THR C C 720 175.578 175.578 176.521 -0.943 17930 22 1 . 1 1 5 5 THR CA C 720 64.390 64.390 65.759 -1.369 17930 23 1 . 1 1 5 5 THR CB C 720 69.027 69.027 68.462 0.565 17930 24 1 . 1 1 5 5 THR H H 720 7.803 7.803 7.916 -0.113 17930 25 1 . 1 1 6 6 ILE N N 721 119.767 119.767 121.025 -1.258 17930 26 1 . 1 1 6 6 ILE HA H 721 3.909 3.909 3.642 0.267 17930 27 1 . 1 1 6 6 ILE C C 721 176.119 176.119 177.324 -1.205 17930 28 1 . 1 1 6 6 ILE CA C 721 63.025 63.025 65.234 -2.209 17930 29 1 . 1 1 6 6 ILE CB C 721 38.134 38.134 37.426 0.708 17930 30 1 . 1 1 6 6 ILE H H 721 7.786 7.786 7.748 0.038 17930 31 1 . 1 1 7 7 HIS N N 722 118.437 118.437 118.594 -0.157 17930 32 1 . 1 1 7 7 HIS HA H 722 4.615 4.615 4.271 0.344 17930 33 1 . 1 1 7 7 HIS CA C 722 57.344 57.344 59.851 -2.507 17930 34 1 . 1 1 7 7 HIS CB C 722 29.375 29.375 30.203 -0.828 17930 35 1 . 1 1 7 7 HIS H H 722 8.134 8.134 7.672 0.462 17930 36 1 . 1 1 8 8 ASP N N 723 118.080 118.080 118.761 -0.681 17930 37 1 . 1 1 8 8 ASP HA H 723 4.594 4.594 4.634 -0.040 17930 38 1 . 1 1 8 8 ASP C C 723 176.711 176.711 178.150 -1.439 17930 39 1 . 1 1 8 8 ASP CA C 723 54.176 54.176 56.953 -2.777 17930 40 1 . 1 1 8 8 ASP CB C 723 41.480 41.480 40.890 0.590 17930 41 1 . 1 1 8 8 ASP H H 723 8.025 8.025 7.794 0.231 17930 42 1 . 1 1 9 9 ARG N N 724 120.693 120.693 119.898 0.795 17930 43 1 . 1 1 9 9 ARG HA H 724 4.204 4.204 4.064 0.140 17930 44 1 . 1 1 9 9 ARG C C 724 177.662 177.662 177.829 -0.167 17930 45 1 . 1 1 9 9 ARG CA C 724 56.819 56.819 59.277 -2.458 17930 46 1 . 1 1 9 9 ARG CB C 724 32.703 32.703 30.119 2.584 17930 47 1 . 1 1 9 9 ARG H H 724 8.219 8.219 8.182 0.037 17930 48 1 . 1 1 10 10 LYS N N 725 121.792 121.792 118.023 3.769 17930 49 1 . 1 1 10 10 LYS HA H 725 4.140 4.140 4.183 -0.043 17930 50 1 . 1 1 10 10 LYS C C 725 178.127 178.127 178.488 -0.361 17930 51 1 . 1 1 10 10 LYS CA C 725 57.637 57.637 58.606 -0.969 17930 52 1 . 1 1 10 10 LYS CB C 725 32.190 32.190 32.166 0.024 17930 53 1 . 1 1 10 10 LYS H H 725 8.493 8.493 7.684 0.809 17930 54 1 . 1 1 11 11 GLU N N 726 119.285 119.285 119.066 0.219 17930 55 1 . 1 1 11 11 GLU HA H 726 4.096 4.096 4.167 -0.071 17930 56 1 . 1 1 11 11 GLU C C 726 177.688 177.688 178.551 -0.863 17930 57 1 . 1 1 11 11 GLU CA C 726 58.406 58.406 58.818 -0.412 17930 58 1 . 1 1 11 11 GLU CB C 726 29.340 29.340 29.865 -0.525 17930 59 1 . 1 1 11 11 GLU H H 726 8.716 8.716 7.725 0.991 17930 60 1 . 1 1 12 12 PHE N N 727 118.784 118.784 119.664 -0.880 17930 61 1 . 1 1 12 12 PHE HA H 727 4.378 4.378 4.395 -0.017 17930 62 1 . 1 1 12 12 PHE C C 727 176.358 176.358 177.089 -0.731 17930 63 1 . 1 1 12 12 PHE CA C 727 59.332 59.332 60.097 -0.765 17930 64 1 . 1 1 12 12 PHE CB C 727 39.160 39.160 39.514 -0.354 17930 65 1 . 1 1 12 12 PHE H H 727 7.906 7.906 8.119 -0.213 17930 66 1 . 1 1 13 13 ALA N N 728 122.197 122.197 122.077 0.120 17930 67 1 . 1 1 13 13 ALA HA H 728 4.158 4.158 3.904 0.254 17930 68 1 . 1 1 13 13 ALA C C 728 178.513 178.513 179.181 -0.668 17930 69 1 . 1 1 13 13 ALA CA C 728 54.083 54.083 55.080 -0.998 17930 70 1 . 1 1 13 13 ALA CB C 728 18.496 18.496 18.012 0.484 17930 71 1 . 1 1 13 13 ALA H H 728 7.951 7.951 8.413 -0.462 17930 72 1 . 1 1 14 14 LYS N N 729 117.742 117.742 118.703 -0.961 17930 73 1 . 1 1 14 14 LYS HA H 729 4.096 4.096 4.141 -0.045 17930 74 1 . 1 1 14 14 LYS C C 729 177.562 177.562 178.700 -1.138 17930 75 1 . 1 1 14 14 LYS CA C 729 56.930 56.930 58.324 -1.394 17930 76 1 . 1 1 14 14 LYS CB C 729 30.515 30.515 31.917 -1.402 17930 77 1 . 1 1 14 14 LYS H H 729 7.814 7.814 7.868 -0.054 17930 78 1 . 1 1 15 15 PHE N N 730 119.960 119.960 119.355 0.605 17930 79 1 . 1 1 15 15 PHE HA H 730 4.379 4.379 4.284 0.095 17930 80 1 . 1 1 15 15 PHE C C 730 176.706 176.706 177.522 -0.816 17930 81 1 . 1 1 15 15 PHE CA C 730 59.753 59.753 61.185 -1.432 17930 82 1 . 1 1 15 15 PHE CB C 730 39.010 39.010 39.587 -0.577 17930 83 1 . 1 1 15 15 PHE H H 730 7.900 7.900 7.888 0.012 17930 84 1 . 1 1 16 16 GLU N N 731 119.516 119.516 118.697 0.819 17930 85 1 . 1 1 16 16 GLU HA H 731 4.065 4.065 3.950 0.115 17930 86 1 . 1 1 16 16 GLU C C 731 177.892 177.892 178.661 -0.769 17930 87 1 . 1 1 16 16 GLU CA C 731 57.825 57.825 59.162 -1.337 17930 88 1 . 1 1 16 16 GLU CB C 731 29.349 29.349 28.961 0.388 17930 89 1 . 1 1 16 16 GLU H H 731 8.174 8.174 8.076 0.098 17930 90 1 . 1 1 17 17 GLU N N 732 120.577 120.577 119.965 0.612 17930 91 1 . 1 1 17 17 GLU HA H 732 4.050 4.050 3.943 0.107 17930 92 1 . 1 1 17 17 GLU C C 732 178.077 178.077 179.039 -0.962 17930 93 1 . 1 1 17 17 GLU CA C 732 58.307 58.307 59.405 -1.098 17930 94 1 . 1 1 17 17 GLU CB C 732 29.388 29.388 29.236 0.152 17930 95 1 . 1 1 17 17 GLU H H 732 8.145 8.145 8.596 -0.451 17930 96 1 . 1 1 18 18 GLU N N 733 119.573 119.573 118.655 0.918 17930 97 1 . 1 1 18 18 GLU HA H 733 4.056 4.056 3.996 0.060 17930 98 1 . 1 1 18 18 GLU C C 733 177.346 177.346 178.549 -1.203 17930 99 1 . 1 1 18 18 GLU CA C 733 58.298 58.298 59.029 -0.731 17930 100 1 . 1 1 18 18 GLU CB C 733 29.447 29.447 29.289 0.158 17930 101 1 . 1 1 18 18 GLU H H 733 8.152 8.152 7.688 0.464 17930 102 1 . 1 1 19 19 ARG N N 734 118.803 118.803 118.266 0.537 17930 103 1 . 1 1 19 19 ARG HA H 734 4.032 4.032 4.264 -0.232 17930 104 1 . 1 1 19 19 ARG C C 734 177.328 177.328 177.897 -0.569 17930 105 1 . 1 1 19 19 ARG CA C 734 58.397 58.397 57.457 0.940 17930 106 1 . 1 1 19 19 ARG CB C 734 32.170 32.170 30.013 2.157 17930 107 1 . 1 1 19 19 ARG H H 734 8.008 8.008 7.596 0.412 17930 108 1 . 1 1 20 20 ALA N N 735 121.734 121.734 121.873 -0.139 17930 109 1 . 1 1 20 20 ALA HA H 735 4.135 4.135 4.217 -0.082 17930 110 1 . 1 1 20 20 ALA C C 735 178.936 178.936 179.247 -0.311 17930 111 1 . 1 1 20 20 ALA CA C 735 53.546 53.546 54.867 -1.321 17930 112 1 . 1 1 20 20 ALA CB C 735 18.647 18.647 18.770 -0.123 17930 113 1 . 1 1 20 20 ALA H H 735 7.877 7.877 8.546 -0.669 17930 114 1 . 1 1 21 21 ARG N N 736 118.070 118.070 119.211 -1.141 17930 115 1 . 1 1 21 21 ARG HA H 736 4.110 4.110 4.233 -0.123 17930 116 1 . 1 1 21 21 ARG C C 736 176.675 176.675 178.150 -1.475 17930 117 1 . 1 1 21 21 ARG CA C 736 56.737 56.737 58.448 -1.711 17930 118 1 . 1 1 21 21 ARG CB C 736 30.573 30.573 30.255 0.318 17930 119 1 . 1 1 21 21 ARG H H 736 7.854 7.854 8.363 -0.509 17930 120 1 . 1 1 22 22 ALA N N 737 122.582 122.582 120.291 2.291 17930 121 1 . 1 1 22 22 ALA HA H 737 4.151 4.151 4.205 -0.054 17930 122 1 . 1 1 22 22 ALA C C 737 177.676 177.676 178.218 -0.542 17930 123 1 . 1 1 22 22 ALA CA C 737 52.726 52.726 54.157 -1.431 17930 124 1 . 1 1 22 22 ALA CB C 737 18.791 18.791 18.663 0.128 17930 125 1 . 1 1 22 22 ALA H H 737 7.809 7.809 7.958 -0.149 17930 126 1 . 1 1 23 23 LYS N N 738 118.494 118.494 115.360 3.134 17930 127 1 . 1 1 23 23 LYS HA H 738 4.159 4.159 4.336 -0.177 17930 128 1 . 1 1 23 23 LYS C C 738 176.523 176.523 176.544 -0.021 17930 129 1 . 1 1 23 23 LYS CA C 738 56.468 56.468 56.755 -0.287 17930 130 1 . 1 1 23 23 LYS CB C 738 32.626 32.626 35.226 -2.600 17930 131 1 . 1 1 23 23 LYS H H 738 7.854 7.854 7.652 0.202 17930 132 1 . 1 1 24 24 TRP N N 739 120.538 120.538 121.281 -0.743 17930 133 1 . 1 1 24 24 TRP HA H 739 4.599 4.599 4.999 -0.400 17930 134 1 . 1 1 24 24 TRP C C 739 175.937 175.937 175.425 0.512 17930 135 1 . 1 1 24 24 TRP CA C 739 56.932 56.932 56.048 0.884 17930 136 1 . 1 1 24 24 TRP CB C 739 29.522 29.522 29.489 0.033 17930 137 1 . 1 1 24 24 TRP H H 739 7.967 7.967 8.748 -0.781 17930 138 1 . 1 1 25 25 ASP N N 740 121.078 121.078 121.473 -0.395 17930 139 1 . 1 1 25 25 ASP HA H 740 4.153 4.153 4.299 -0.146 17930 140 1 . 1 1 25 25 ASP C C 740 176.659 176.659 177.463 -0.804 17930 141 1 . 1 1 25 25 ASP CA C 740 54.127 54.127 58.013 -3.886 17930 142 1 . 1 1 25 25 ASP CB C 740 41.026 41.026 40.582 0.444 17930 143 1 . 1 1 25 25 ASP H H 740 8.219 8.219 8.200 0.019 17930 144 1 . 1 1 26 26 THR N N 741 113.655 113.655 112.641 1.014 17930 145 1 . 1 1 26 26 THR HA H 741 4.221 4.221 4.260 -0.039 17930 146 1 . 1 1 26 26 THR C C 741 174.807 174.807 174.701 0.106 17930 147 1 . 1 1 26 26 THR CA C 741 62.439 62.439 63.706 -1.267 17930 148 1 . 1 1 26 26 THR CB C 741 69.255 69.255 68.738 0.517 17930 149 1 . 1 1 26 26 THR H H 741 7.946 7.946 8.255 -0.309 17930 150 1 . 1 1 27 27 ALA N N 742 124.530 124.530 122.640 1.890 17930 151 1 . 1 1 27 27 ALA HA H 742 4.193 4.193 4.514 -0.321 17930 152 1 . 1 1 27 27 ALA C C 742 177.516 177.516 178.894 -1.378 17930 153 1 . 1 1 27 27 ALA CA C 742 52.937 52.937 53.809 -0.872 17930 154 1 . 1 1 27 27 ALA CB C 742 18.974 18.974 19.477 -0.503 17930 155 1 . 1 1 27 27 ALA H H 742 8.116 8.116 7.718 0.398 17930 156 1 . 1 1 28 28 ASN N N 743 116.065 116.065 115.841 0.224 17930 157 1 . 1 1 28 28 ASN HA H 743 4.599 4.599 4.749 -0.150 17930 158 1 . 1 1 28 28 ASN C C 743 174.308 174.308 175.315 -1.007 17930 159 1 . 1 1 28 28 ASN CA C 743 52.868 52.868 54.647 -1.780 17930 160 1 . 1 1 28 28 ASN CB C 743 39.097 39.097 40.218 -1.121 17930 161 1 . 1 1 28 28 ASN H H 743 8.048 8.048 8.408 -0.360 17930 162 1 . 1 1 29 29 ASN N N 744 119.536 119.536 118.595 0.941 17930 163 1 . 1 1 29 29 ASN HA H 744 4.608 4.608 5.178 -0.570 17930 164 1 . 1 1 29 29 ASN CA C 744 50.940 50.940 50.823 0.117 17930 165 1 . 1 1 29 29 ASN CB C 744 38.799 38.799 40.364 -1.565 17930 166 1 . 1 1 29 29 ASN H H 744 8.031 8.031 7.838 0.193 17930 167 1 . 1 1 30 30 PRO HA H 745 4.372 4.372 4.422 -0.050 17930 168 1 . 1 1 30 30 PRO C C 745 177.161 177.161 176.293 0.868 17930 169 1 . 1 1 30 30 PRO CA C 745 63.583 63.583 64.232 -0.649 17930 170 1 . 1 1 30 30 PRO CB C 745 31.941 31.941 32.224 -0.283 17930 171 1 . 1 1 34 34 GLU N N 749 121.102 121.102 120.631 0.471 17930 172 1 . 1 1 34 34 GLU HA H 749 4.206 4.206 4.219 -0.013 17930 173 1 . 1 1 34 34 GLU C C 749 176.842 176.842 177.896 -1.054 17930 174 1 . 1 1 34 34 GLU CA C 749 56.698 56.698 58.668 -1.970 17930 175 1 . 1 1 34 34 GLU CB C 749 29.905 29.905 29.933 -0.028 17930 176 1 . 1 1 34 34 GLU H H 749 8.216 8.216 8.859 -0.643 17930 177 1 . 1 1 35 35 ALA N N 750 124.433 124.433 121.008 3.425 17930 178 1 . 1 1 35 35 ALA HA H 750 4.275 4.275 4.316 -0.041 17930 179 1 . 1 1 35 35 ALA C C 750 178.080 178.080 178.922 -0.842 17930 180 1 . 1 1 35 35 ALA CA C 750 53.212 53.212 54.082 -0.870 17930 181 1 . 1 1 35 35 ALA CB C 750 19.060 19.060 18.415 0.645 17930 182 1 . 1 1 35 35 ALA H H 750 8.339 8.339 8.267 0.072 17930 183 1 . 1 1 36 36 THR N N 751 111.881 111.881 112.828 -0.947 17930 184 1 . 1 1 36 36 THR HA H 751 4.225 4.225 4.080 0.145 17930 185 1 . 1 1 36 36 THR C C 751 175.174 175.174 175.890 -0.716 17930 186 1 . 1 1 36 36 THR CA C 751 62.508 62.508 65.741 -3.233 17930 187 1 . 1 1 36 36 THR CB C 751 69.600 69.600 68.467 1.133 17930 188 1 . 1 1 36 36 THR H H 751 8.008 8.008 8.173 -0.165 17930 189 1 . 1 1 37 37 SER N N 752 117.588 117.588 114.357 3.231 17930 190 1 . 1 1 37 37 SER HA H 752 4.567 4.567 4.488 0.079 17930 191 1 . 1 1 37 37 SER C C 752 174.988 174.988 175.492 -0.504 17930 192 1 . 1 1 37 37 SER CA C 752 58.856 58.856 60.286 -1.430 17930 193 1 . 1 1 37 37 SER CB C 752 63.705 63.705 63.467 0.239 17930 194 1 . 1 1 37 37 SER H H 752 8.168 8.168 7.859 0.309 17930 195 1 . 1 1 38 38 THR N N 753 116.798 116.798 115.106 1.692 17930 196 1 . 1 1 38 38 THR HA H 753 4.126 4.126 4.112 0.014 17930 197 1 . 1 1 38 38 THR C C 753 174.719 174.719 174.388 0.331 17930 198 1 . 1 1 38 38 THR CA C 753 62.889 62.889 64.233 -1.344 17930 199 1 . 1 1 38 38 THR CB C 753 69.276 69.276 69.227 0.049 17930 200 1 . 1 1 38 38 THR H H 753 8.105 8.105 7.588 0.517 17930 201 1 . 1 1 39 39 PHE N N 754 120.288 120.288 119.232 1.056 17930 202 1 . 1 1 39 39 PHE HA H 754 4.567 4.567 4.933 -0.366 17930 203 1 . 1 1 39 39 PHE C C 754 175.953 175.953 175.633 0.320 17930 204 1 . 1 1 39 39 PHE CA C 754 58.289 58.289 56.359 1.930 17930 205 1 . 1 1 39 39 PHE CB C 754 39.212 39.212 40.598 -1.386 17930 206 1 . 1 1 39 39 PHE H H 754 8.213 8.213 7.980 0.233 17930 207 1 . 1 1 40 40 THR N N 755 113.153 113.153 112.272 0.881 17930 208 1 . 1 1 40 40 THR HA H 755 4.159 4.159 4.353 -0.194 17930 209 1 . 1 1 40 40 THR C C 755 174.225 174.225 174.027 0.198 17930 210 1 . 1 1 40 40 THR CA C 755 62.446 62.446 62.756 -0.310 17930 211 1 . 1 1 40 40 THR CB C 755 69.403 69.403 69.753 -0.350 17930 212 1 . 1 1 40 40 THR H H 755 7.871 7.871 8.338 -0.467 17930 213 1 . 1 1 41 41 ASN N N 756 119.863 119.863 118.883 0.980 17930 214 1 . 1 1 41 41 ASN HA H 756 4.599 4.599 4.876 -0.277 17930 215 1 . 1 1 41 41 ASN C C 756 175.231 175.231 173.693 1.538 17930 216 1 . 1 1 41 41 ASN CA C 756 53.625 53.625 53.377 0.248 17930 217 1 . 1 1 41 41 ASN CB C 756 38.852 38.852 39.754 -0.901 17930 218 1 . 1 1 41 41 ASN H H 756 8.213 8.213 8.068 0.145 17930 219 1 . 1 1 42 42 ILE N N 757 119.671 119.671 122.927 -3.256 17930 220 1 . 1 1 42 42 ILE HA H 757 4.133 4.133 4.421 -0.288 17930 221 1 . 1 1 42 42 ILE C C 757 175.709 175.709 176.209 -0.500 17930 222 1 . 1 1 42 42 ILE CA C 757 61.607 61.607 59.675 1.932 17930 223 1 . 1 1 42 42 ILE CB C 757 38.445 38.445 40.060 -1.615 17930 224 1 . 1 1 42 42 ILE H H 757 7.860 7.860 8.067 -0.207 17930 225 1 . 1 1 43 43 THR N N 758 115.737 115.737 116.108 -0.371 17930 226 1 . 1 1 43 43 THR HA H 758 4.276 4.276 4.096 0.180 17930 227 1 . 1 1 43 43 THR C C 758 173.978 173.978 175.148 -1.170 17930 228 1 . 1 1 43 43 THR CA C 758 61.620 61.620 64.284 -2.664 17930 229 1 . 1 1 43 43 THR CB C 758 69.640 69.640 68.898 0.742 17930 230 1 . 1 1 43 43 THR H H 758 7.929 7.929 8.300 -0.371 17930 231 1 . 1 1 44 44 TYR N N 759 122.351 122.351 118.876 3.475 17930 232 1 . 1 1 44 44 TYR HA H 759 4.567 4.567 4.595 -0.028 17930 233 1 . 1 1 44 44 TYR C C 759 175.349 175.349 175.461 -0.112 17930 234 1 . 1 1 44 44 TYR CA C 759 57.894 57.894 58.514 -0.620 17930 235 1 . 1 1 44 44 TYR CB C 759 38.782 38.782 38.931 -0.149 17930 236 1 . 1 1 44 44 TYR H H 759 8.048 8.048 7.662 0.386 17930 237 1 . 1 1 45 45 ARG N N 760 122.717 122.717 118.865 3.852 17930 238 1 . 1 1 45 45 ARG HA H 760 4.266 4.266 4.072 0.194 17930 239 1 . 1 1 45 45 ARG C C 760 176.141 176.141 175.322 0.819 17930 240 1 . 1 1 45 45 ARG CA C 760 55.718 55.718 57.175 -1.457 17930 241 1 . 1 1 45 45 ARG CB C 760 30.828 30.828 29.179 1.649 17930 242 1 . 1 1 45 45 ARG H H 760 8.111 8.111 8.388 -0.277 17930 243 1 . 1 1 46 46 GLY N N 761 109.046 109.046 104.945 4.101 17930 244 1 . 1 1 46 46 GLY C C 761 173.235 173.235 173.327 -0.092 17930 245 1 . 1 1 46 46 GLY CA C 761 45.272 45.272 45.105 0.167 17930 246 1 . 1 1 46 46 GLY H H 761 7.786 7.786 8.203 -0.417 17930 stop_ save_