data_25874 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25874 _Entry.PDB_ID 2N91 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 25874 _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 ASP HA H 2 4.768 4.768 4.476 0.292 25874 2 1 1 . 1 1 3 3 ASP N N 3 116.646 116.646 118.370 -1.724 25874 3 1 1 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.470 0.100 25874 4 1 1 . 1 1 3 3 ASP H H 3 7.252 7.252 8.019 -0.767 25874 5 1 1 . 1 1 4 4 ILE N N 4 122.597 122.597 118.625 3.972 25874 6 1 1 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.129 -0.355 25874 7 1 1 . 1 1 4 4 ILE H H 4 8.202 8.202 8.107 0.095 25874 8 1 1 . 1 1 5 5 VAL N N 5 127.035 127.035 124.728 2.307 25874 9 1 1 . 1 1 5 5 VAL H H 5 8.390 8.390 8.186 0.204 25874 10 1 1 . 1 1 6 6 PHE N N 6 129.504 129.504 126.511 2.993 25874 11 1 1 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.742 0.337 25874 12 1 1 . 1 1 6 6 PHE H H 6 9.545 9.545 8.370 1.175 25874 13 1 1 . 1 1 7 7 LYS N N 7 125.467 125.467 125.490 -0.023 25874 14 1 1 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.319 0.138 25874 15 1 1 . 1 1 7 7 LYS H H 7 8.850 8.850 8.774 0.076 25874 16 1 1 . 1 1 8 8 ALA N N 8 124.878 124.878 128.688 -3.810 25874 17 1 1 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.651 0.190 25874 18 1 1 . 1 1 8 8 ALA H H 8 8.255 8.255 8.222 0.033 25874 19 1 1 . 1 1 9 9 LYS N N 9 125.448 125.448 121.615 3.833 25874 20 1 1 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.289 -0.316 25874 21 1 1 . 1 1 9 9 LYS H H 9 10.288 10.288 8.687 1.601 25874 22 1 1 . 1 1 10 10 ASN N N 10 113.783 113.783 116.699 -2.916 25874 23 1 1 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.831 -0.578 25874 24 1 1 . 1 1 10 10 ASN H H 10 8.773 8.773 8.030 0.743 25874 25 1 1 . 1 1 11 11 GLY N N 11 110.396 110.396 107.977 2.419 25874 26 1 1 . 1 1 11 11 GLY H H 11 6.968 6.968 7.470 -0.502 25874 27 1 1 . 1 1 12 12 ASP N N 12 129.103 129.103 122.916 6.187 25874 28 1 1 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.704 -0.299 25874 29 1 1 . 1 1 12 12 ASP H H 12 7.962 7.962 8.381 -0.419 25874 30 1 1 . 1 1 13 13 VAL N N 13 121.052 121.052 123.791 -2.739 25874 31 1 1 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.558 -0.284 25874 32 1 1 . 1 1 13 13 VAL H H 13 8.620 8.620 7.958 0.662 25874 33 1 1 . 1 1 14 14 LYS N N 14 129.063 129.063 127.594 1.469 25874 34 1 1 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.600 0.008 25874 35 1 1 . 1 1 14 14 LYS H H 14 9.012 9.012 8.530 0.482 25874 36 1 1 . 1 1 15 15 PHE N N 15 127.819 127.819 125.146 2.673 25874 37 1 1 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.094 0.587 25874 38 1 1 . 1 1 15 15 PHE H H 15 9.449 9.449 8.374 1.075 25874 39 1 1 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.756 -0.186 25874 40 1 1 . 1 1 17 17 HIS N N 17 132.614 132.614 125.831 6.783 25874 41 1 1 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.800 -2.983 25874 42 1 1 . 1 1 17 17 HIS H H 17 6.540 6.540 8.105 -1.565 25874 43 1 1 . 1 1 18 18 LYS N N 18 118.133 118.133 119.729 -1.596 25874 44 1 1 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.977 -1.401 25874 45 1 1 . 1 1 18 18 LYS H H 18 7.325 7.325 8.372 -1.047 25874 46 1 1 . 1 1 19 19 ALA N N 19 120.621 120.621 119.803 0.818 25874 47 1 1 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.130 -0.734 25874 48 1 1 . 1 1 19 19 ALA H H 19 7.014 7.014 8.041 -1.027 25874 49 1 1 . 1 1 20 20 HIS N N 20 116.674 116.674 116.732 -0.058 25874 50 1 1 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.381 -1.889 25874 51 1 1 . 1 1 20 20 HIS H H 20 6.376 6.376 8.189 -1.813 25874 52 1 1 . 1 1 21 21 GLN N N 21 117.448 117.448 116.559 0.889 25874 53 1 1 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.152 -0.088 25874 54 1 1 . 1 1 21 21 GLN H H 21 6.796 6.796 7.432 -0.636 25874 55 1 1 . 1 1 22 22 LYS N N 22 115.279 115.279 117.648 -2.369 25874 56 1 1 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.341 -0.325 25874 57 1 1 . 1 1 22 22 LYS H H 22 6.578 6.578 7.848 -1.270 25874 58 1 1 . 1 1 23 23 ALA N N 23 120.362 120.362 121.741 -1.379 25874 59 1 1 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.300 -0.106 25874 60 1 1 . 1 1 23 23 ALA H H 23 6.963 6.963 7.618 -0.655 25874 61 1 1 . 1 1 24 24 VAL N N 24 120.608 120.608 119.084 1.524 25874 62 1 1 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.454 0.143 25874 63 1 1 . 1 1 24 24 VAL H H 24 8.369 8.369 7.511 0.858 25874 64 1 1 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.480 0.294 25874 65 1 1 . 1 1 26 26 ASP N N 26 117.853 117.853 120.964 -3.111 25874 66 1 1 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.492 0.586 25874 67 1 1 . 1 1 26 26 ASP H H 26 7.828 7.828 8.449 -0.621 25874 68 1 1 . 1 1 27 27 CYS N N 27 123.776 123.776 124.772 -0.996 25874 69 1 1 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.493 0.471 25874 70 1 1 . 1 1 27 27 CYS H H 27 8.544 8.544 8.714 -0.170 25874 71 1 1 . 1 1 28 28 LYS N N 28 114.260 114.260 121.219 -6.959 25874 72 1 1 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.293 -0.796 25874 73 1 1 . 1 1 28 28 LYS H H 28 8.062 8.062 8.207 -0.145 25874 74 1 1 . 1 1 29 29 LYS N N 29 118.718 118.718 116.995 1.723 25874 75 1 1 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.154 -0.121 25874 76 1 1 . 1 1 29 29 LYS H H 29 7.751 7.751 7.906 -0.155 25874 77 1 1 . 1 1 30 30 CYS N N 30 111.794 111.794 113.724 -1.930 25874 78 1 1 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.514 0.126 25874 79 1 1 . 1 1 30 30 CYS H H 30 6.273 6.273 8.417 -2.144 25874 80 1 1 . 1 1 31 31 HIS N N 31 118.519 118.519 121.055 -2.536 25874 81 1 1 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.867 -1.802 25874 82 1 1 . 1 1 31 31 HIS H H 31 7.120 7.120 8.715 -1.595 25874 83 1 1 . 1 1 32 32 GLU N N 32 125.364 125.364 123.264 2.100 25874 84 1 1 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.265 -0.569 25874 85 1 1 . 1 1 32 32 GLU H H 32 7.986 7.986 8.388 -0.402 25874 86 1 1 . 1 1 33 33 LYS N N 33 115.015 115.015 119.503 -4.488 25874 87 1 1 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.422 -0.209 25874 88 1 1 . 1 1 33 33 LYS H H 33 8.183 8.183 7.842 0.341 25874 89 1 1 . 1 1 34 34 GLY N N 34 107.428 107.428 109.284 -1.856 25874 90 1 1 . 1 1 34 34 GLY H H 34 6.624 6.624 7.552 -0.928 25874 91 1 1 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.495 -2.859 25874 92 1 1 . 1 1 36 36 GLY N N 36 109.389 109.389 110.654 -1.265 25874 93 1 1 . 1 1 36 36 GLY H H 36 3.873 3.873 7.299 -3.426 25874 94 1 1 . 1 1 37 37 LYS N N 37 116.850 116.850 120.691 -3.841 25874 95 1 1 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.498 -0.339 25874 96 1 1 . 1 1 37 37 LYS H H 37 7.981 7.981 8.346 -0.365 25874 97 1 1 . 1 1 38 38 ILE N N 38 128.778 128.778 123.546 5.232 25874 98 1 1 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.371 -0.647 25874 99 1 1 . 1 1 38 38 ILE H H 38 10.493 10.493 8.625 1.868 25874 100 1 1 . 1 1 39 39 GLU N N 39 130.536 130.536 127.321 3.215 25874 101 1 1 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.239 -0.221 25874 102 1 1 . 1 1 39 39 GLU H H 39 8.595 8.595 9.048 -0.453 25874 103 1 1 . 1 1 40 40 GLY N N 40 113.068 113.068 113.325 -0.257 25874 104 1 1 . 1 1 40 40 GLY H H 40 9.115 9.115 8.452 0.663 25874 105 1 1 . 1 1 41 41 PHE N N 41 121.942 121.942 121.740 0.202 25874 106 1 1 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.371 -0.071 25874 107 1 1 . 1 1 41 41 PHE H H 41 8.010 8.010 8.016 -0.006 25874 108 1 1 . 1 1 42 42 GLY N N 42 114.942 114.942 108.042 6.900 25874 109 1 1 . 1 1 42 42 GLY H H 42 5.768 5.768 6.207 -0.439 25874 110 1 1 . 1 1 43 43 LYS N N 43 122.844 122.844 118.369 4.475 25874 111 1 1 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.851 -0.549 25874 112 1 1 . 1 1 43 43 LYS H H 43 8.884 8.884 8.271 0.613 25874 113 1 1 . 1 1 44 44 GLU N N 44 115.043 115.043 119.590 -4.547 25874 114 1 1 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.801 -0.757 25874 115 1 1 . 1 1 44 44 GLU H H 44 7.923 7.923 7.964 -0.041 25874 116 1 1 . 1 1 45 45 MET N N 45 118.080 118.080 118.644 -0.564 25874 117 1 1 . 1 1 45 45 MET HA H 45 3.848 3.848 4.168 -0.320 25874 118 1 1 . 1 1 45 45 MET H H 45 7.559 7.559 7.587 -0.028 25874 119 1 1 . 1 1 46 46 ALA N N 46 122.871 122.871 119.831 3.040 25874 120 1 1 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.731 0.229 25874 121 1 1 . 1 1 46 46 ALA H H 46 7.907 7.907 7.545 0.362 25874 122 1 1 . 1 1 47 47 HIS N N 47 113.174 113.174 115.978 -2.804 25874 123 1 1 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.462 -1.745 25874 124 1 1 . 1 1 47 47 HIS H H 47 6.721 6.721 7.950 -1.229 25874 125 1 1 . 1 1 48 48 GLY N N 48 109.910 109.910 107.800 2.110 25874 126 1 1 . 1 1 48 48 GLY H H 48 6.697 6.697 8.076 -1.379 25874 127 1 1 . 1 1 49 49 LYS N N 49 125.155 125.155 121.291 3.864 25874 128 1 1 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.170 -0.452 25874 129 1 1 . 1 1 49 49 LYS H H 49 8.725 8.725 8.391 0.334 25874 130 1 1 . 1 1 50 50 GLY N N 50 105.682 105.682 107.876 -2.194 25874 131 1 1 . 1 1 50 50 GLY H H 50 8.455 8.455 8.154 0.301 25874 132 1 1 . 1 1 51 51 CYS N N 51 110.903 110.903 117.307 -6.404 25874 133 1 1 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.305 1.288 25874 134 1 1 . 1 1 51 51 CYS H H 51 6.640 6.640 7.534 -0.894 25874 135 1 1 . 1 1 52 52 LYS N N 52 120.482 120.482 120.638 -0.156 25874 136 1 1 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.167 -1.659 25874 137 1 1 . 1 1 52 52 LYS H H 52 7.906 7.906 7.553 0.353 25874 138 1 1 . 1 1 53 53 GLY N N 53 102.630 102.630 107.724 -5.094 25874 139 1 1 . 1 1 53 53 GLY H H 53 8.549 8.549 7.962 0.587 25874 140 1 1 . 1 1 54 54 CYS N N 54 120.890 120.890 118.626 2.264 25874 141 1 1 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.552 -0.153 25874 142 1 1 . 1 1 54 54 CYS H H 54 6.584 6.584 7.874 -1.290 25874 143 1 1 . 1 1 55 55 HIS N N 55 117.794 117.794 119.658 -1.864 25874 144 1 1 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.824 -1.114 25874 145 1 1 . 1 1 55 55 HIS H H 55 5.404 5.404 7.660 -2.256 25874 146 1 1 . 1 1 56 56 GLU N N 56 116.823 116.823 120.564 -3.741 25874 147 1 1 . 1 1 56 56 GLU HA H 56 3.629 3.629 3.909 -0.280 25874 148 1 1 . 1 1 56 56 GLU H H 56 7.969 7.969 8.512 -0.543 25874 149 1 1 . 1 1 57 57 GLU N N 57 120.523 120.523 117.828 2.695 25874 150 1 1 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.059 -0.038 25874 151 1 1 . 1 1 57 57 GLU H H 57 7.485 7.485 7.704 -0.219 25874 152 1 1 . 1 1 58 58 MET N N 58 115.336 115.336 115.302 0.034 25874 153 1 1 . 1 1 58 58 MET HA H 58 4.352 4.352 4.475 -0.123 25874 154 1 1 . 1 1 58 58 MET H H 58 8.866 8.866 7.614 1.252 25874 155 1 1 . 1 1 59 59 LYS N N 59 114.369 114.369 118.233 -3.864 25874 156 1 1 . 1 1 59 59 LYS HA H 59 3.713 3.713 3.993 -0.280 25874 157 1 1 . 1 1 59 59 LYS H H 59 7.691 7.691 8.241 -0.550 25874 158 1 1 . 1 1 60 60 LYS N N 60 118.488 118.488 119.557 -1.069 25874 159 1 1 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.546 -0.267 25874 160 1 1 . 1 1 60 60 LYS H H 60 7.566 7.566 7.752 -0.186 25874 161 1 1 . 1 1 61 61 GLY N N 61 103.494 103.494 110.063 -6.569 25874 162 1 1 . 1 1 61 61 GLY H H 61 7.514 7.514 8.232 -0.718 25874 163 1 1 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.458 -0.531 25874 164 1 1 . 1 1 63 63 THR N N 63 109.032 109.032 113.212 -4.180 25874 165 1 1 . 1 1 63 63 THR HA H 63 4.403 4.403 4.417 -0.014 25874 166 1 1 . 1 1 63 63 THR H H 63 8.271 8.271 8.204 0.067 25874 167 1 1 . 1 1 64 64 LYS N N 64 124.136 124.136 122.393 1.743 25874 168 1 1 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.673 0.443 25874 169 1 1 . 1 1 64 64 LYS H H 64 8.437 8.437 7.482 0.955 25874 170 1 1 . 1 1 65 65 CYS N N 65 118.006 118.006 117.373 0.633 25874 171 1 1 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.591 0.178 25874 172 1 1 . 1 1 65 65 CYS H H 65 8.731 8.731 8.649 0.082 25874 173 1 1 . 1 1 66 66 GLY N N 66 101.862 101.862 107.892 -6.030 25874 174 1 1 . 1 1 66 66 GLY H H 66 8.809 8.809 8.412 0.397 25874 175 1 1 . 1 1 67 67 GLU N N 67 116.476 116.476 120.260 -3.784 25874 176 1 1 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.456 -0.295 25874 177 1 1 . 1 1 67 67 GLU H H 67 7.694 7.694 7.680 0.014 25874 178 1 1 . 1 1 68 68 CYS N N 68 114.694 114.694 116.837 -2.143 25874 179 1 1 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.369 0.334 25874 180 1 1 . 1 1 68 68 CYS H H 68 6.422 6.422 7.490 -1.068 25874 181 1 1 . 1 1 69 69 HIS N N 69 117.752 117.752 119.554 -1.802 25874 182 1 1 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.895 -2.155 25874 183 1 1 . 1 1 69 69 HIS H H 69 6.901 6.901 7.819 -0.918 25874 184 1 1 . 1 1 70 70 LYS N N 70 123.740 123.740 122.446 1.294 25874 185 1 1 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.426 -0.186 25874 186 1 1 . 1 1 70 70 LYS H H 70 7.214 7.214 7.785 -0.571 25874 187 1 2 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.616 0.152 25874 188 1 2 . 1 1 3 3 ASP N N 3 116.646 116.646 120.236 -3.590 25874 189 1 2 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.480 0.090 25874 190 1 2 . 1 1 3 3 ASP H H 3 7.252 7.252 8.028 -0.776 25874 191 1 2 . 1 1 4 4 ILE N N 4 122.597 122.597 119.114 3.483 25874 192 1 2 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.224 -0.450 25874 193 1 2 . 1 1 4 4 ILE H H 4 8.202 8.202 8.225 -0.023 25874 194 1 2 . 1 1 5 5 VAL N N 5 127.035 127.035 123.816 3.219 25874 195 1 2 . 1 1 5 5 VAL H H 5 8.390 8.390 8.143 0.247 25874 196 1 2 . 1 1 6 6 PHE N N 6 129.504 129.504 126.273 3.231 25874 197 1 2 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.771 0.308 25874 198 1 2 . 1 1 6 6 PHE H H 6 9.545 9.545 8.351 1.194 25874 199 1 2 . 1 1 7 7 LYS N N 7 125.467 125.467 126.288 -0.821 25874 200 1 2 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.293 0.164 25874 201 1 2 . 1 1 7 7 LYS H H 7 8.850 8.850 8.734 0.116 25874 202 1 2 . 1 1 8 8 ALA N N 8 124.878 124.878 126.335 -1.457 25874 203 1 2 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.706 0.135 25874 204 1 2 . 1 1 8 8 ALA H H 8 8.255 8.255 8.257 -0.002 25874 205 1 2 . 1 1 9 9 LYS N N 9 125.448 125.448 121.550 3.898 25874 206 1 2 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.271 -0.298 25874 207 1 2 . 1 1 9 9 LYS H H 9 10.288 10.288 8.688 1.600 25874 208 1 2 . 1 1 10 10 ASN N N 10 113.783 113.783 116.390 -2.607 25874 209 1 2 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.861 -0.608 25874 210 1 2 . 1 1 10 10 ASN H H 10 8.773 8.773 8.010 0.763 25874 211 1 2 . 1 1 11 11 GLY N N 11 110.396 110.396 107.495 2.901 25874 212 1 2 . 1 1 11 11 GLY H H 11 6.968 6.968 7.448 -0.480 25874 213 1 2 . 1 1 12 12 ASP N N 12 129.103 129.103 123.330 5.773 25874 214 1 2 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.745 -0.340 25874 215 1 2 . 1 1 12 12 ASP H H 12 7.962 7.962 8.396 -0.434 25874 216 1 2 . 1 1 13 13 VAL N N 13 121.052 121.052 123.418 -2.366 25874 217 1 2 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.535 -0.261 25874 218 1 2 . 1 1 13 13 VAL H H 13 8.620 8.620 8.109 0.511 25874 219 1 2 . 1 1 14 14 LYS N N 14 129.063 129.063 128.360 0.703 25874 220 1 2 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.679 -0.071 25874 221 1 2 . 1 1 14 14 LYS H H 14 9.012 9.012 8.593 0.419 25874 222 1 2 . 1 1 15 15 PHE N N 15 127.819 127.819 124.420 3.399 25874 223 1 2 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.128 0.553 25874 224 1 2 . 1 1 15 15 PHE H H 15 9.449 9.449 8.455 0.994 25874 225 1 2 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.520 0.050 25874 226 1 2 . 1 1 17 17 HIS N N 17 132.614 132.614 125.056 7.558 25874 227 1 2 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.618 -2.801 25874 228 1 2 . 1 1 17 17 HIS H H 17 6.540 6.540 8.212 -1.672 25874 229 1 2 . 1 1 18 18 LYS N N 18 118.133 118.133 119.446 -1.313 25874 230 1 2 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.996 -1.420 25874 231 1 2 . 1 1 18 18 LYS H H 18 7.325 7.325 8.310 -0.985 25874 232 1 2 . 1 1 19 19 ALA N N 19 120.621 120.621 120.234 0.387 25874 233 1 2 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.025 -0.629 25874 234 1 2 . 1 1 19 19 ALA H H 19 7.014 7.014 8.129 -1.115 25874 235 1 2 . 1 1 20 20 HIS N N 20 116.674 116.674 116.875 -0.201 25874 236 1 2 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.339 -1.847 25874 237 1 2 . 1 1 20 20 HIS H H 20 6.376 6.376 8.574 -2.198 25874 238 1 2 . 1 1 21 21 GLN N N 21 117.448 117.448 116.581 0.867 25874 239 1 2 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.108 -0.044 25874 240 1 2 . 1 1 21 21 GLN H H 21 6.796 6.796 8.140 -1.344 25874 241 1 2 . 1 1 22 22 LYS N N 22 115.279 115.279 117.298 -2.019 25874 242 1 2 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.310 -0.294 25874 243 1 2 . 1 1 22 22 LYS H H 22 6.578 6.578 7.677 -1.099 25874 244 1 2 . 1 1 23 23 ALA N N 23 120.362 120.362 121.937 -1.575 25874 245 1 2 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.343 -0.149 25874 246 1 2 . 1 1 23 23 ALA H H 23 6.963 6.963 7.460 -0.497 25874 247 1 2 . 1 1 24 24 VAL N N 24 120.608 120.608 120.193 0.415 25874 248 1 2 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.485 0.112 25874 249 1 2 . 1 1 24 24 VAL H H 24 8.369 8.369 8.258 0.112 25874 250 1 2 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.455 0.319 25874 251 1 2 . 1 1 26 26 ASP N N 26 117.853 117.853 121.011 -3.158 25874 252 1 2 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.516 0.561 25874 253 1 2 . 1 1 26 26 ASP H H 26 7.828 7.828 8.500 -0.672 25874 254 1 2 . 1 1 27 27 CYS N N 27 123.776 123.776 125.093 -1.317 25874 255 1 2 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.470 0.494 25874 256 1 2 . 1 1 27 27 CYS H H 27 8.544 8.544 8.695 -0.151 25874 257 1 2 . 1 1 28 28 LYS N N 28 114.260 114.260 121.182 -6.922 25874 258 1 2 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.233 -0.736 25874 259 1 2 . 1 1 28 28 LYS H H 28 8.062 8.062 8.862 -0.800 25874 260 1 2 . 1 1 29 29 LYS N N 29 118.718 118.718 115.944 2.774 25874 261 1 2 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.154 -0.121 25874 262 1 2 . 1 1 29 29 LYS H H 29 7.751 7.751 7.866 -0.115 25874 263 1 2 . 1 1 30 30 CYS N N 30 111.794 111.794 113.157 -1.363 25874 264 1 2 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.524 0.116 25874 265 1 2 . 1 1 30 30 CYS H H 30 6.273 6.273 8.461 -2.188 25874 266 1 2 . 1 1 31 31 HIS N N 31 118.519 118.519 121.531 -3.012 25874 267 1 2 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.871 -1.806 25874 268 1 2 . 1 1 31 31 HIS H H 31 7.120 7.120 8.743 -1.623 25874 269 1 2 . 1 1 32 32 GLU N N 32 125.364 125.364 121.683 3.681 25874 270 1 2 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.205 -0.509 25874 271 1 2 . 1 1 32 32 GLU H H 32 7.986 7.986 8.187 -0.201 25874 272 1 2 . 1 1 33 33 LYS N N 33 115.015 115.015 119.544 -4.529 25874 273 1 2 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.386 -0.173 25874 274 1 2 . 1 1 33 33 LYS H H 33 8.183 8.183 7.957 0.226 25874 275 1 2 . 1 1 34 34 GLY N N 34 107.428 107.428 109.548 -2.120 25874 276 1 2 . 1 1 34 34 GLY H H 34 6.624 6.624 7.644 -1.020 25874 277 1 2 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.478 -2.842 25874 278 1 2 . 1 1 36 36 GLY N N 36 109.389 109.389 106.318 3.071 25874 279 1 2 . 1 1 36 36 GLY H H 36 3.873 3.873 7.820 -3.947 25874 280 1 2 . 1 1 37 37 LYS N N 37 116.850 116.850 120.108 -3.258 25874 281 1 2 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.385 -0.226 25874 282 1 2 . 1 1 37 37 LYS H H 37 7.981 7.981 8.322 -0.341 25874 283 1 2 . 1 1 38 38 ILE N N 38 128.778 128.778 122.749 6.029 25874 284 1 2 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.315 -0.591 25874 285 1 2 . 1 1 38 38 ILE H H 38 10.493 10.493 8.516 1.977 25874 286 1 2 . 1 1 39 39 GLU N N 39 130.536 130.536 127.547 2.989 25874 287 1 2 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.147 -0.129 25874 288 1 2 . 1 1 39 39 GLU H H 39 8.595 8.595 9.075 -0.480 25874 289 1 2 . 1 1 40 40 GLY N N 40 113.068 113.068 114.078 -1.010 25874 290 1 2 . 1 1 40 40 GLY H H 40 9.115 9.115 8.452 0.663 25874 291 1 2 . 1 1 41 41 PHE N N 41 121.942 121.942 122.116 -0.174 25874 292 1 2 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.258 0.042 25874 293 1 2 . 1 1 41 41 PHE H H 41 8.010 8.010 8.101 -0.091 25874 294 1 2 . 1 1 42 42 GLY N N 42 114.942 114.942 107.488 7.454 25874 295 1 2 . 1 1 42 42 GLY H H 42 5.768 5.768 6.066 -0.298 25874 296 1 2 . 1 1 43 43 LYS N N 43 122.844 122.844 118.349 4.495 25874 297 1 2 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.857 -0.555 25874 298 1 2 . 1 1 43 43 LYS H H 43 8.884 8.884 8.315 0.569 25874 299 1 2 . 1 1 44 44 GLU N N 44 115.043 115.043 119.625 -4.582 25874 300 1 2 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.767 -0.723 25874 301 1 2 . 1 1 44 44 GLU H H 44 7.923 7.923 7.925 -0.002 25874 302 1 2 . 1 1 45 45 MET N N 45 118.080 118.080 118.438 -0.358 25874 303 1 2 . 1 1 45 45 MET HA H 45 3.848 3.848 4.157 -0.309 25874 304 1 2 . 1 1 45 45 MET H H 45 7.559 7.559 7.543 0.016 25874 305 1 2 . 1 1 46 46 ALA N N 46 122.871 122.871 120.185 2.686 25874 306 1 2 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.760 0.200 25874 307 1 2 . 1 1 46 46 ALA H H 46 7.907 7.907 7.597 0.310 25874 308 1 2 . 1 1 47 47 HIS N N 47 113.174 113.174 115.870 -2.696 25874 309 1 2 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.484 -1.767 25874 310 1 2 . 1 1 47 47 HIS H H 47 6.721 6.721 7.989 -1.268 25874 311 1 2 . 1 1 48 48 GLY N N 48 109.910 109.910 108.264 1.646 25874 312 1 2 . 1 1 48 48 GLY H H 48 6.697 6.697 8.121 -1.424 25874 313 1 2 . 1 1 49 49 LYS N N 49 125.155 125.155 121.109 4.046 25874 314 1 2 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.212 -0.494 25874 315 1 2 . 1 1 49 49 LYS H H 49 8.725 8.725 8.380 0.345 25874 316 1 2 . 1 1 50 50 GLY N N 50 105.682 105.682 106.411 -0.729 25874 317 1 2 . 1 1 50 50 GLY H H 50 8.455 8.455 8.388 0.067 25874 318 1 2 . 1 1 51 51 CYS N N 51 110.903 110.903 116.942 -6.039 25874 319 1 2 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.274 1.319 25874 320 1 2 . 1 1 51 51 CYS H H 51 6.640 6.640 7.485 -0.845 25874 321 1 2 . 1 1 52 52 LYS N N 52 120.482 120.482 120.206 0.276 25874 322 1 2 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.220 -1.712 25874 323 1 2 . 1 1 52 52 LYS H H 52 7.906 7.906 7.536 0.370 25874 324 1 2 . 1 1 53 53 GLY N N 53 102.630 102.630 108.216 -5.586 25874 325 1 2 . 1 1 53 53 GLY H H 53 8.549 8.549 7.838 0.711 25874 326 1 2 . 1 1 54 54 CYS N N 54 120.890 120.890 118.881 2.009 25874 327 1 2 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.709 -0.310 25874 328 1 2 . 1 1 54 54 CYS H H 54 6.584 6.584 8.260 -1.676 25874 329 1 2 . 1 1 55 55 HIS N N 55 117.794 117.794 119.646 -1.852 25874 330 1 2 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.741 -1.031 25874 331 1 2 . 1 1 55 55 HIS H H 55 5.404 5.404 7.610 -2.206 25874 332 1 2 . 1 1 56 56 GLU N N 56 116.823 116.823 120.552 -3.729 25874 333 1 2 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.045 -0.416 25874 334 1 2 . 1 1 56 56 GLU H H 56 7.969 7.969 8.454 -0.485 25874 335 1 2 . 1 1 57 57 GLU N N 57 120.523 120.523 117.725 2.798 25874 336 1 2 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.093 -0.072 25874 337 1 2 . 1 1 57 57 GLU H H 57 7.485 7.485 7.881 -0.396 25874 338 1 2 . 1 1 58 58 MET N N 58 115.336 115.336 114.200 1.136 25874 339 1 2 . 1 1 58 58 MET HA H 58 4.352 4.352 4.558 -0.206 25874 340 1 2 . 1 1 58 58 MET H H 58 8.866 8.866 7.587 1.279 25874 341 1 2 . 1 1 59 59 LYS N N 59 114.369 114.369 116.861 -2.492 25874 342 1 2 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.030 -0.317 25874 343 1 2 . 1 1 59 59 LYS H H 59 7.691 7.691 8.083 -0.392 25874 344 1 2 . 1 1 60 60 LYS N N 60 118.488 118.488 119.014 -0.526 25874 345 1 2 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.469 -0.190 25874 346 1 2 . 1 1 60 60 LYS H H 60 7.566 7.566 7.782 -0.216 25874 347 1 2 . 1 1 61 61 GLY N N 61 103.494 103.494 110.774 -7.280 25874 348 1 2 . 1 1 61 61 GLY H H 61 7.514 7.514 8.375 -0.861 25874 349 1 2 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.736 -0.809 25874 350 1 2 . 1 1 63 63 THR N N 63 109.032 109.032 113.664 -4.632 25874 351 1 2 . 1 1 63 63 THR HA H 63 4.403 4.403 4.374 0.029 25874 352 1 2 . 1 1 63 63 THR H H 63 8.271 8.271 8.087 0.184 25874 353 1 2 . 1 1 64 64 LYS N N 64 124.136 124.136 121.225 2.911 25874 354 1 2 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.645 0.471 25874 355 1 2 . 1 1 64 64 LYS H H 64 8.437 8.437 7.518 0.919 25874 356 1 2 . 1 1 65 65 CYS N N 65 118.006 118.006 117.167 0.839 25874 357 1 2 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.607 0.162 25874 358 1 2 . 1 1 65 65 CYS H H 65 8.731 8.731 8.610 0.121 25874 359 1 2 . 1 1 66 66 GLY N N 66 101.862 101.862 107.789 -5.927 25874 360 1 2 . 1 1 66 66 GLY H H 66 8.809 8.809 8.458 0.351 25874 361 1 2 . 1 1 67 67 GLU N N 67 116.476 116.476 119.985 -3.509 25874 362 1 2 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.394 -0.233 25874 363 1 2 . 1 1 67 67 GLU H H 67 7.694 7.694 7.667 0.027 25874 364 1 2 . 1 1 68 68 CYS N N 68 114.694 114.694 116.949 -2.255 25874 365 1 2 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.434 0.269 25874 366 1 2 . 1 1 68 68 CYS H H 68 6.422 6.422 7.475 -1.053 25874 367 1 2 . 1 1 69 69 HIS N N 69 117.752 117.752 119.861 -2.109 25874 368 1 2 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.867 -2.127 25874 369 1 2 . 1 1 69 69 HIS H H 69 6.901 6.901 7.977 -1.076 25874 370 1 2 . 1 1 70 70 LYS N N 70 123.740 123.740 122.458 1.282 25874 371 1 2 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.417 -0.177 25874 372 1 2 . 1 1 70 70 LYS H H 70 7.214 7.214 7.802 -0.588 25874 373 1 3 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.615 0.153 25874 374 1 3 . 1 1 3 3 ASP N N 3 116.646 116.646 119.659 -3.013 25874 375 1 3 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.486 0.084 25874 376 1 3 . 1 1 3 3 ASP H H 3 7.252 7.252 7.993 -0.741 25874 377 1 3 . 1 1 4 4 ILE N N 4 122.597 122.597 119.613 2.984 25874 378 1 3 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.176 -0.402 25874 379 1 3 . 1 1 4 4 ILE H H 4 8.202 8.202 8.120 0.082 25874 380 1 3 . 1 1 5 5 VAL N N 5 127.035 127.035 124.141 2.894 25874 381 1 3 . 1 1 5 5 VAL H H 5 8.390 8.390 8.214 0.176 25874 382 1 3 . 1 1 6 6 PHE N N 6 129.504 129.504 126.067 3.437 25874 383 1 3 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.739 0.340 25874 384 1 3 . 1 1 6 6 PHE H H 6 9.545 9.545 8.270 1.275 25874 385 1 3 . 1 1 7 7 LYS N N 7 125.467 125.467 126.452 -0.985 25874 386 1 3 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.309 0.148 25874 387 1 3 . 1 1 7 7 LYS H H 7 8.850 8.850 8.757 0.093 25874 388 1 3 . 1 1 8 8 ALA N N 8 124.878 124.878 127.116 -2.238 25874 389 1 3 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.767 0.074 25874 390 1 3 . 1 1 8 8 ALA H H 8 8.255 8.255 8.192 0.063 25874 391 1 3 . 1 1 9 9 LYS N N 9 125.448 125.448 121.565 3.883 25874 392 1 3 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.297 -0.324 25874 393 1 3 . 1 1 9 9 LYS H H 9 10.288 10.288 8.791 1.497 25874 394 1 3 . 1 1 10 10 ASN N N 10 113.783 113.783 116.388 -2.605 25874 395 1 3 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.864 -0.611 25874 396 1 3 . 1 1 10 10 ASN H H 10 8.773 8.773 8.006 0.767 25874 397 1 3 . 1 1 11 11 GLY N N 11 110.396 110.396 107.476 2.920 25874 398 1 3 . 1 1 11 11 GLY H H 11 6.968 6.968 7.457 -0.489 25874 399 1 3 . 1 1 12 12 ASP N N 12 129.103 129.103 122.763 6.340 25874 400 1 3 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.710 -0.305 25874 401 1 3 . 1 1 12 12 ASP H H 12 7.962 7.962 8.379 -0.417 25874 402 1 3 . 1 1 13 13 VAL N N 13 121.052 121.052 124.188 -3.136 25874 403 1 3 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.535 -0.261 25874 404 1 3 . 1 1 13 13 VAL H H 13 8.620 8.620 8.127 0.493 25874 405 1 3 . 1 1 14 14 LYS N N 14 129.063 129.063 128.370 0.693 25874 406 1 3 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.633 -0.025 25874 407 1 3 . 1 1 14 14 LYS H H 14 9.012 9.012 8.528 0.484 25874 408 1 3 . 1 1 15 15 PHE N N 15 127.819 127.819 124.520 3.299 25874 409 1 3 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.121 0.560 25874 410 1 3 . 1 1 15 15 PHE H H 15 9.449 9.449 8.531 0.918 25874 411 1 3 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.526 0.044 25874 412 1 3 . 1 1 17 17 HIS N N 17 132.614 132.614 125.649 6.965 25874 413 1 3 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.691 -2.874 25874 414 1 3 . 1 1 17 17 HIS H H 17 6.540 6.540 8.116 -1.576 25874 415 1 3 . 1 1 18 18 LYS N N 18 118.133 118.133 119.523 -1.390 25874 416 1 3 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.813 -1.237 25874 417 1 3 . 1 1 18 18 LYS H H 18 7.325 7.325 8.371 -1.046 25874 418 1 3 . 1 1 19 19 ALA N N 19 120.621 120.621 120.306 0.315 25874 419 1 3 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.018 -0.622 25874 420 1 3 . 1 1 19 19 ALA H H 19 7.014 7.014 8.175 -1.161 25874 421 1 3 . 1 1 20 20 HIS N N 20 116.674 116.674 117.021 -0.347 25874 422 1 3 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.324 -1.832 25874 423 1 3 . 1 1 20 20 HIS H H 20 6.376 6.376 8.146 -1.770 25874 424 1 3 . 1 1 21 21 GLN N N 21 117.448 117.448 116.469 0.979 25874 425 1 3 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.078 -0.014 25874 426 1 3 . 1 1 21 21 GLN H H 21 6.796 6.796 8.141 -1.345 25874 427 1 3 . 1 1 22 22 LYS N N 22 115.279 115.279 118.106 -2.827 25874 428 1 3 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.255 -0.239 25874 429 1 3 . 1 1 22 22 LYS H H 22 6.578 6.578 7.864 -1.286 25874 430 1 3 . 1 1 23 23 ALA N N 23 120.362 120.362 120.861 -0.499 25874 431 1 3 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.382 -0.188 25874 432 1 3 . 1 1 23 23 ALA H H 23 6.963 6.963 7.673 -0.710 25874 433 1 3 . 1 1 24 24 VAL N N 24 120.608 120.608 119.009 1.599 25874 434 1 3 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.475 0.122 25874 435 1 3 . 1 1 24 24 VAL H H 24 8.369 8.369 8.189 0.180 25874 436 1 3 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.509 0.265 25874 437 1 3 . 1 1 26 26 ASP N N 26 117.853 117.853 120.694 -2.841 25874 438 1 3 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.467 0.611 25874 439 1 3 . 1 1 26 26 ASP H H 26 7.828 7.828 8.435 -0.607 25874 440 1 3 . 1 1 27 27 CYS N N 27 123.776 123.776 124.652 -0.876 25874 441 1 3 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.510 0.454 25874 442 1 3 . 1 1 27 27 CYS H H 27 8.544 8.544 8.757 -0.213 25874 443 1 3 . 1 1 28 28 LYS N N 28 114.260 114.260 121.585 -7.325 25874 444 1 3 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.254 -0.757 25874 445 1 3 . 1 1 28 28 LYS H H 28 8.062 8.062 8.142 -0.080 25874 446 1 3 . 1 1 29 29 LYS N N 29 118.718 118.718 117.893 0.825 25874 447 1 3 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.134 -0.101 25874 448 1 3 . 1 1 29 29 LYS H H 29 7.751 7.751 8.110 -0.359 25874 449 1 3 . 1 1 30 30 CYS N N 30 111.794 111.794 113.208 -1.414 25874 450 1 3 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.498 0.142 25874 451 1 3 . 1 1 30 30 CYS H H 30 6.273 6.273 8.395 -2.122 25874 452 1 3 . 1 1 31 31 HIS N N 31 118.519 118.519 121.346 -2.827 25874 453 1 3 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.862 -1.797 25874 454 1 3 . 1 1 31 31 HIS H H 31 7.120 7.120 8.692 -1.572 25874 455 1 3 . 1 1 32 32 GLU N N 32 125.364 125.364 122.360 3.004 25874 456 1 3 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.223 -0.527 25874 457 1 3 . 1 1 32 32 GLU H H 32 7.986 7.986 8.181 -0.195 25874 458 1 3 . 1 1 33 33 LYS N N 33 115.015 115.015 119.642 -4.627 25874 459 1 3 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.396 -0.183 25874 460 1 3 . 1 1 33 33 LYS H H 33 8.183 8.183 7.958 0.225 25874 461 1 3 . 1 1 34 34 GLY N N 34 107.428 107.428 109.337 -1.909 25874 462 1 3 . 1 1 34 34 GLY H H 34 6.624 6.624 7.623 -0.999 25874 463 1 3 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.549 -2.913 25874 464 1 3 . 1 1 36 36 GLY N N 36 109.389 109.389 106.483 2.906 25874 465 1 3 . 1 1 36 36 GLY H H 36 3.873 3.873 7.244 -3.371 25874 466 1 3 . 1 1 37 37 LYS N N 37 116.850 116.850 121.579 -4.729 25874 467 1 3 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.536 -0.377 25874 468 1 3 . 1 1 37 37 LYS H H 37 7.981 7.981 8.335 -0.354 25874 469 1 3 . 1 1 38 38 ILE N N 38 128.778 128.778 122.354 6.424 25874 470 1 3 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.398 -0.674 25874 471 1 3 . 1 1 38 38 ILE H H 38 10.493 10.493 8.559 1.934 25874 472 1 3 . 1 1 39 39 GLU N N 39 130.536 130.536 129.325 1.211 25874 473 1 3 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.317 -0.299 25874 474 1 3 . 1 1 39 39 GLU H H 39 8.595 8.595 9.230 -0.635 25874 475 1 3 . 1 1 40 40 GLY N N 40 113.068 113.068 107.875 5.193 25874 476 1 3 . 1 1 40 40 GLY H H 40 9.115 9.115 8.187 0.928 25874 477 1 3 . 1 1 41 41 PHE N N 41 121.942 121.942 120.677 1.265 25874 478 1 3 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.781 -0.481 25874 479 1 3 . 1 1 41 41 PHE H H 41 8.010 8.010 7.488 0.522 25874 480 1 3 . 1 1 42 42 GLY N N 42 114.942 114.942 108.169 6.773 25874 481 1 3 . 1 1 42 42 GLY H H 42 5.768 5.768 6.319 -0.551 25874 482 1 3 . 1 1 43 43 LYS N N 43 122.844 122.844 118.406 4.438 25874 483 1 3 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.894 -0.592 25874 484 1 3 . 1 1 43 43 LYS H H 43 8.884 8.884 8.288 0.596 25874 485 1 3 . 1 1 44 44 GLU N N 44 115.043 115.043 119.496 -4.453 25874 486 1 3 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.804 -0.760 25874 487 1 3 . 1 1 44 44 GLU H H 44 7.923 7.923 8.007 -0.084 25874 488 1 3 . 1 1 45 45 MET N N 45 118.080 118.080 118.634 -0.554 25874 489 1 3 . 1 1 45 45 MET HA H 45 3.848 3.848 4.158 -0.310 25874 490 1 3 . 1 1 45 45 MET H H 45 7.559 7.559 7.590 -0.031 25874 491 1 3 . 1 1 46 46 ALA N N 46 122.871 122.871 120.097 2.774 25874 492 1 3 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.777 0.183 25874 493 1 3 . 1 1 46 46 ALA H H 46 7.907 7.907 7.526 0.381 25874 494 1 3 . 1 1 47 47 HIS N N 47 113.174 113.174 116.036 -2.862 25874 495 1 3 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.480 -1.763 25874 496 1 3 . 1 1 47 47 HIS H H 47 6.721 6.721 8.117 -1.396 25874 497 1 3 . 1 1 48 48 GLY N N 48 109.910 109.910 107.978 1.932 25874 498 1 3 . 1 1 48 48 GLY H H 48 6.697 6.697 8.243 -1.546 25874 499 1 3 . 1 1 49 49 LYS N N 49 125.155 125.155 121.053 4.102 25874 500 1 3 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.164 -0.446 25874 501 1 3 . 1 1 49 49 LYS H H 49 8.725 8.725 8.410 0.315 25874 502 1 3 . 1 1 50 50 GLY N N 50 105.682 105.682 107.706 -2.024 25874 503 1 3 . 1 1 50 50 GLY H H 50 8.455 8.455 8.191 0.264 25874 504 1 3 . 1 1 51 51 CYS N N 51 110.903 110.903 117.722 -6.819 25874 505 1 3 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.290 1.303 25874 506 1 3 . 1 1 51 51 CYS H H 51 6.640 6.640 7.545 -0.905 25874 507 1 3 . 1 1 52 52 LYS N N 52 120.482 120.482 120.816 -0.334 25874 508 1 3 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.145 -1.637 25874 509 1 3 . 1 1 52 52 LYS H H 52 7.906 7.906 7.562 0.344 25874 510 1 3 . 1 1 53 53 GLY N N 53 102.630 102.630 107.487 -4.857 25874 511 1 3 . 1 1 53 53 GLY H H 53 8.549 8.549 7.971 0.578 25874 512 1 3 . 1 1 54 54 CYS N N 54 120.890 120.890 118.503 2.387 25874 513 1 3 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.549 -0.150 25874 514 1 3 . 1 1 54 54 CYS H H 54 6.584 6.584 7.727 -1.143 25874 515 1 3 . 1 1 55 55 HIS N N 55 117.794 117.794 119.571 -1.777 25874 516 1 3 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.843 -1.133 25874 517 1 3 . 1 1 55 55 HIS H H 55 5.404 5.404 7.681 -2.277 25874 518 1 3 . 1 1 56 56 GLU N N 56 116.823 116.823 120.465 -3.642 25874 519 1 3 . 1 1 56 56 GLU HA H 56 3.629 3.629 3.925 -0.296 25874 520 1 3 . 1 1 56 56 GLU H H 56 7.969 7.969 8.624 -0.655 25874 521 1 3 . 1 1 57 57 GLU N N 57 120.523 120.523 117.851 2.672 25874 522 1 3 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.095 -0.074 25874 523 1 3 . 1 1 57 57 GLU H H 57 7.485 7.485 7.754 -0.269 25874 524 1 3 . 1 1 58 58 MET N N 58 115.336 115.336 115.377 -0.041 25874 525 1 3 . 1 1 58 58 MET HA H 58 4.352 4.352 4.485 -0.133 25874 526 1 3 . 1 1 58 58 MET H H 58 8.866 8.866 7.703 1.163 25874 527 1 3 . 1 1 59 59 LYS N N 59 114.369 114.369 118.246 -3.877 25874 528 1 3 . 1 1 59 59 LYS HA H 59 3.713 3.713 3.981 -0.268 25874 529 1 3 . 1 1 59 59 LYS H H 59 7.691 7.691 8.220 -0.529 25874 530 1 3 . 1 1 60 60 LYS N N 60 118.488 118.488 119.340 -0.852 25874 531 1 3 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.503 -0.224 25874 532 1 3 . 1 1 60 60 LYS H H 60 7.566 7.566 7.738 -0.172 25874 533 1 3 . 1 1 61 61 GLY N N 61 103.494 103.494 109.813 -6.319 25874 534 1 3 . 1 1 61 61 GLY H H 61 7.514 7.514 8.245 -0.731 25874 535 1 3 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.514 -0.587 25874 536 1 3 . 1 1 63 63 THR N N 63 109.032 109.032 114.274 -5.242 25874 537 1 3 . 1 1 63 63 THR HA H 63 4.403 4.403 4.491 -0.088 25874 538 1 3 . 1 1 63 63 THR H H 63 8.271 8.271 8.162 0.109 25874 539 1 3 . 1 1 64 64 LYS N N 64 124.136 124.136 122.226 1.910 25874 540 1 3 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.695 0.421 25874 541 1 3 . 1 1 64 64 LYS H H 64 8.437 8.437 7.868 0.569 25874 542 1 3 . 1 1 65 65 CYS N N 65 118.006 118.006 117.137 0.869 25874 543 1 3 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.631 0.138 25874 544 1 3 . 1 1 65 65 CYS H H 65 8.731 8.731 8.720 0.011 25874 545 1 3 . 1 1 66 66 GLY N N 66 101.862 101.862 107.926 -6.064 25874 546 1 3 . 1 1 66 66 GLY H H 66 8.809 8.809 8.506 0.303 25874 547 1 3 . 1 1 67 67 GLU N N 67 116.476 116.476 120.147 -3.671 25874 548 1 3 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.385 -0.224 25874 549 1 3 . 1 1 67 67 GLU H H 67 7.694 7.694 7.637 0.057 25874 550 1 3 . 1 1 68 68 CYS N N 68 114.694 114.694 116.882 -2.188 25874 551 1 3 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.418 0.285 25874 552 1 3 . 1 1 68 68 CYS H H 68 6.422 6.422 7.489 -1.067 25874 553 1 3 . 1 1 69 69 HIS N N 69 117.752 117.752 119.460 -1.708 25874 554 1 3 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.878 -2.138 25874 555 1 3 . 1 1 69 69 HIS H H 69 6.901 6.901 7.880 -0.979 25874 556 1 3 . 1 1 70 70 LYS N N 70 123.740 123.740 122.288 1.452 25874 557 1 3 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.427 -0.187 25874 558 1 3 . 1 1 70 70 LYS H H 70 7.214 7.214 7.748 -0.534 25874 559 1 4 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.628 0.140 25874 560 1 4 . 1 1 3 3 ASP N N 3 116.646 116.646 120.477 -3.831 25874 561 1 4 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.504 0.066 25874 562 1 4 . 1 1 3 3 ASP H H 3 7.252 7.252 8.190 -0.938 25874 563 1 4 . 1 1 4 4 ILE N N 4 122.597 122.597 119.519 3.078 25874 564 1 4 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.171 -0.397 25874 565 1 4 . 1 1 4 4 ILE H H 4 8.202 8.202 8.167 0.035 25874 566 1 4 . 1 1 5 5 VAL N N 5 127.035 127.035 124.165 2.870 25874 567 1 4 . 1 1 5 5 VAL H H 5 8.390 8.390 8.233 0.157 25874 568 1 4 . 1 1 6 6 PHE N N 6 129.504 129.504 126.295 3.209 25874 569 1 4 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.703 0.376 25874 570 1 4 . 1 1 6 6 PHE H H 6 9.545 9.545 8.367 1.178 25874 571 1 4 . 1 1 7 7 LYS N N 7 125.467 125.467 124.974 0.493 25874 572 1 4 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.272 0.185 25874 573 1 4 . 1 1 7 7 LYS H H 7 8.850 8.850 8.764 0.086 25874 574 1 4 . 1 1 8 8 ALA N N 8 124.878 124.878 127.281 -2.403 25874 575 1 4 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.635 0.206 25874 576 1 4 . 1 1 8 8 ALA H H 8 8.255 8.255 8.290 -0.035 25874 577 1 4 . 1 1 9 9 LYS N N 9 125.448 125.448 121.580 3.868 25874 578 1 4 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.272 -0.299 25874 579 1 4 . 1 1 9 9 LYS H H 9 10.288 10.288 8.643 1.645 25874 580 1 4 . 1 1 10 10 ASN N N 10 113.783 113.783 116.558 -2.775 25874 581 1 4 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.850 -0.597 25874 582 1 4 . 1 1 10 10 ASN H H 10 8.773 8.773 8.038 0.735 25874 583 1 4 . 1 1 11 11 GLY N N 11 110.396 110.396 107.519 2.877 25874 584 1 4 . 1 1 11 11 GLY H H 11 6.968 6.968 7.440 -0.472 25874 585 1 4 . 1 1 12 12 ASP N N 12 129.103 129.103 123.285 5.818 25874 586 1 4 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.719 -0.314 25874 587 1 4 . 1 1 12 12 ASP H H 12 7.962 7.962 8.379 -0.417 25874 588 1 4 . 1 1 13 13 VAL N N 13 121.052 121.052 124.995 -3.943 25874 589 1 4 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.513 -0.239 25874 590 1 4 . 1 1 13 13 VAL H H 13 8.620 8.620 8.023 0.597 25874 591 1 4 . 1 1 14 14 LYS N N 14 129.063 129.063 128.258 0.805 25874 592 1 4 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.759 -0.151 25874 593 1 4 . 1 1 14 14 LYS H H 14 9.012 9.012 8.529 0.483 25874 594 1 4 . 1 1 15 15 PHE N N 15 127.819 127.819 124.980 2.839 25874 595 1 4 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.104 0.577 25874 596 1 4 . 1 1 15 15 PHE H H 15 9.449 9.449 8.545 0.904 25874 597 1 4 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.514 0.056 25874 598 1 4 . 1 1 17 17 HIS N N 17 132.614 132.614 125.767 6.847 25874 599 1 4 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.765 -2.948 25874 600 1 4 . 1 1 17 17 HIS H H 17 6.540 6.540 8.130 -1.590 25874 601 1 4 . 1 1 18 18 LYS N N 18 118.133 118.133 119.501 -1.368 25874 602 1 4 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.980 -1.404 25874 603 1 4 . 1 1 18 18 LYS H H 18 7.325 7.325 8.356 -1.031 25874 604 1 4 . 1 1 19 19 ALA N N 19 120.621 120.621 119.919 0.702 25874 605 1 4 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.085 -0.689 25874 606 1 4 . 1 1 19 19 ALA H H 19 7.014 7.014 8.023 -1.009 25874 607 1 4 . 1 1 20 20 HIS N N 20 116.674 116.674 116.673 0.001 25874 608 1 4 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.370 -1.878 25874 609 1 4 . 1 1 20 20 HIS H H 20 6.376 6.376 8.328 -1.952 25874 610 1 4 . 1 1 21 21 GLN N N 21 117.448 117.448 116.547 0.901 25874 611 1 4 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.156 -0.092 25874 612 1 4 . 1 1 21 21 GLN H H 21 6.796 6.796 7.497 -0.701 25874 613 1 4 . 1 1 22 22 LYS N N 22 115.279 115.279 117.485 -2.206 25874 614 1 4 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.344 -0.328 25874 615 1 4 . 1 1 22 22 LYS H H 22 6.578 6.578 7.792 -1.214 25874 616 1 4 . 1 1 23 23 ALA N N 23 120.362 120.362 121.798 -1.436 25874 617 1 4 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.353 -0.159 25874 618 1 4 . 1 1 23 23 ALA H H 23 6.963 6.963 7.580 -0.617 25874 619 1 4 . 1 1 24 24 VAL N N 24 120.608 120.608 120.117 0.491 25874 620 1 4 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.420 0.177 25874 621 1 4 . 1 1 24 24 VAL H H 24 8.369 8.369 7.789 0.580 25874 622 1 4 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.448 0.326 25874 623 1 4 . 1 1 26 26 ASP N N 26 117.853 117.853 120.953 -3.100 25874 624 1 4 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.507 0.571 25874 625 1 4 . 1 1 26 26 ASP H H 26 7.828 7.828 8.477 -0.649 25874 626 1 4 . 1 1 27 27 CYS N N 27 123.776 123.776 125.913 -2.137 25874 627 1 4 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.418 0.546 25874 628 1 4 . 1 1 27 27 CYS H H 27 8.544 8.544 8.773 -0.229 25874 629 1 4 . 1 1 28 28 LYS N N 28 114.260 114.260 120.623 -6.363 25874 630 1 4 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.312 -0.815 25874 631 1 4 . 1 1 28 28 LYS H H 28 8.062 8.062 7.987 0.075 25874 632 1 4 . 1 1 29 29 LYS N N 29 118.718 118.718 116.489 2.229 25874 633 1 4 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.160 -0.127 25874 634 1 4 . 1 1 29 29 LYS H H 29 7.751 7.751 7.712 0.039 25874 635 1 4 . 1 1 30 30 CYS N N 30 111.794 111.794 113.343 -1.549 25874 636 1 4 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.483 0.157 25874 637 1 4 . 1 1 30 30 CYS H H 30 6.273 6.273 8.451 -2.178 25874 638 1 4 . 1 1 31 31 HIS N N 31 118.519 118.519 121.067 -2.548 25874 639 1 4 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.930 -1.865 25874 640 1 4 . 1 1 31 31 HIS H H 31 7.120 7.120 8.663 -1.543 25874 641 1 4 . 1 1 32 32 GLU N N 32 125.364 125.364 121.724 3.640 25874 642 1 4 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.200 -0.504 25874 643 1 4 . 1 1 32 32 GLU H H 32 7.986 7.986 8.385 -0.399 25874 644 1 4 . 1 1 33 33 LYS N N 33 115.015 115.015 119.307 -4.292 25874 645 1 4 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.382 -0.169 25874 646 1 4 . 1 1 33 33 LYS H H 33 8.183 8.183 7.970 0.213 25874 647 1 4 . 1 1 34 34 GLY N N 34 107.428 107.428 109.510 -2.082 25874 648 1 4 . 1 1 34 34 GLY H H 34 6.624 6.624 7.683 -1.059 25874 649 1 4 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.607 -2.971 25874 650 1 4 . 1 1 36 36 GLY N N 36 109.389 109.389 106.677 2.712 25874 651 1 4 . 1 1 36 36 GLY H H 36 3.873 3.873 8.427 -4.554 25874 652 1 4 . 1 1 37 37 LYS N N 37 116.850 116.850 121.080 -4.230 25874 653 1 4 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.542 -0.383 25874 654 1 4 . 1 1 37 37 LYS H H 37 7.981 7.981 8.390 -0.409 25874 655 1 4 . 1 1 38 38 ILE N N 38 128.778 128.778 122.161 6.617 25874 656 1 4 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.368 -0.644 25874 657 1 4 . 1 1 38 38 ILE H H 38 10.493 10.493 8.510 1.983 25874 658 1 4 . 1 1 39 39 GLU N N 39 130.536 130.536 128.920 1.616 25874 659 1 4 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.224 -0.206 25874 660 1 4 . 1 1 39 39 GLU H H 39 8.595 8.595 9.083 -0.488 25874 661 1 4 . 1 1 40 40 GLY N N 40 113.068 113.068 112.925 0.143 25874 662 1 4 . 1 1 40 40 GLY H H 40 9.115 9.115 8.322 0.793 25874 663 1 4 . 1 1 41 41 PHE N N 41 121.942 121.942 122.030 -0.088 25874 664 1 4 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.191 0.109 25874 665 1 4 . 1 1 41 41 PHE H H 41 8.010 8.010 7.901 0.109 25874 666 1 4 . 1 1 42 42 GLY N N 42 114.942 114.942 109.379 5.563 25874 667 1 4 . 1 1 42 42 GLY H H 42 5.768 5.768 6.489 -0.721 25874 668 1 4 . 1 1 43 43 LYS N N 43 122.844 122.844 119.168 3.676 25874 669 1 4 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.980 -0.678 25874 670 1 4 . 1 1 43 43 LYS H H 43 8.884 8.884 8.380 0.504 25874 671 1 4 . 1 1 44 44 GLU N N 44 115.043 115.043 119.634 -4.591 25874 672 1 4 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.795 -0.751 25874 673 1 4 . 1 1 44 44 GLU H H 44 7.923 7.923 7.964 -0.041 25874 674 1 4 . 1 1 45 45 MET N N 45 118.080 118.080 118.371 -0.291 25874 675 1 4 . 1 1 45 45 MET HA H 45 3.848 3.848 4.126 -0.278 25874 676 1 4 . 1 1 45 45 MET H H 45 7.559 7.559 7.634 -0.075 25874 677 1 4 . 1 1 46 46 ALA N N 46 122.871 122.871 120.195 2.676 25874 678 1 4 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.667 0.293 25874 679 1 4 . 1 1 46 46 ALA H H 46 7.907 7.907 7.395 0.512 25874 680 1 4 . 1 1 47 47 HIS N N 47 113.174 113.174 115.582 -2.408 25874 681 1 4 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.456 -1.739 25874 682 1 4 . 1 1 47 47 HIS H H 47 6.721 6.721 8.204 -1.483 25874 683 1 4 . 1 1 48 48 GLY N N 48 109.910 109.910 106.940 2.970 25874 684 1 4 . 1 1 48 48 GLY H H 48 6.697 6.697 8.192 -1.495 25874 685 1 4 . 1 1 49 49 LYS N N 49 125.155 125.155 120.831 4.324 25874 686 1 4 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.203 -0.485 25874 687 1 4 . 1 1 49 49 LYS H H 49 8.725 8.725 8.287 0.438 25874 688 1 4 . 1 1 50 50 GLY N N 50 105.682 105.682 108.750 -3.068 25874 689 1 4 . 1 1 50 50 GLY H H 50 8.455 8.455 8.046 0.409 25874 690 1 4 . 1 1 51 51 CYS N N 51 110.903 110.903 117.352 -6.449 25874 691 1 4 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.251 1.342 25874 692 1 4 . 1 1 51 51 CYS H H 51 6.640 6.640 7.403 -0.763 25874 693 1 4 . 1 1 52 52 LYS N N 52 120.482 120.482 120.264 0.218 25874 694 1 4 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.195 -1.687 25874 695 1 4 . 1 1 52 52 LYS H H 52 7.906 7.906 7.514 0.392 25874 696 1 4 . 1 1 53 53 GLY N N 53 102.630 102.630 108.248 -5.618 25874 697 1 4 . 1 1 53 53 GLY H H 53 8.549 8.549 7.980 0.569 25874 698 1 4 . 1 1 54 54 CYS N N 54 120.890 120.890 119.220 1.670 25874 699 1 4 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.521 -0.122 25874 700 1 4 . 1 1 54 54 CYS H H 54 6.584 6.584 8.263 -1.679 25874 701 1 4 . 1 1 55 55 HIS N N 55 117.794 117.794 119.638 -1.844 25874 702 1 4 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.721 -1.011 25874 703 1 4 . 1 1 55 55 HIS H H 55 5.404 5.404 7.580 -2.176 25874 704 1 4 . 1 1 56 56 GLU N N 56 116.823 116.823 121.086 -4.263 25874 705 1 4 . 1 1 56 56 GLU HA H 56 3.629 3.629 3.997 -0.368 25874 706 1 4 . 1 1 56 56 GLU H H 56 7.969 7.969 8.508 -0.539 25874 707 1 4 . 1 1 57 57 GLU N N 57 120.523 120.523 118.949 1.574 25874 708 1 4 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.093 -0.072 25874 709 1 4 . 1 1 57 57 GLU H H 57 7.485 7.485 7.824 -0.339 25874 710 1 4 . 1 1 58 58 MET N N 58 115.336 115.336 115.250 0.086 25874 711 1 4 . 1 1 58 58 MET HA H 58 4.352 4.352 4.507 -0.155 25874 712 1 4 . 1 1 58 58 MET H H 58 8.866 8.866 7.753 1.113 25874 713 1 4 . 1 1 59 59 LYS N N 59 114.369 114.369 117.908 -3.539 25874 714 1 4 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.014 -0.301 25874 715 1 4 . 1 1 59 59 LYS H H 59 7.691 7.691 7.983 -0.292 25874 716 1 4 . 1 1 60 60 LYS N N 60 118.488 118.488 119.284 -0.796 25874 717 1 4 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.472 -0.193 25874 718 1 4 . 1 1 60 60 LYS H H 60 7.566 7.566 7.609 -0.043 25874 719 1 4 . 1 1 61 61 GLY N N 61 103.494 103.494 109.901 -6.407 25874 720 1 4 . 1 1 61 61 GLY H H 61 7.514 7.514 8.239 -0.725 25874 721 1 4 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.733 -0.806 25874 722 1 4 . 1 1 63 63 THR N N 63 109.032 109.032 115.603 -6.571 25874 723 1 4 . 1 1 63 63 THR HA H 63 4.403 4.403 4.449 -0.046 25874 724 1 4 . 1 1 63 63 THR H H 63 8.271 8.271 8.169 0.102 25874 725 1 4 . 1 1 64 64 LYS N N 64 124.136 124.136 122.118 2.018 25874 726 1 4 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.691 0.425 25874 727 1 4 . 1 1 64 64 LYS H H 64 8.437 8.437 7.707 0.730 25874 728 1 4 . 1 1 65 65 CYS N N 65 118.006 118.006 117.167 0.839 25874 729 1 4 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.613 0.156 25874 730 1 4 . 1 1 65 65 CYS H H 65 8.731 8.731 8.608 0.123 25874 731 1 4 . 1 1 66 66 GLY N N 66 101.862 101.862 107.849 -5.987 25874 732 1 4 . 1 1 66 66 GLY H H 66 8.809 8.809 8.433 0.376 25874 733 1 4 . 1 1 67 67 GLU N N 67 116.476 116.476 120.149 -3.673 25874 734 1 4 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.392 -0.231 25874 735 1 4 . 1 1 67 67 GLU H H 67 7.694 7.694 7.671 0.023 25874 736 1 4 . 1 1 68 68 CYS N N 68 114.694 114.694 117.006 -2.312 25874 737 1 4 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.421 0.282 25874 738 1 4 . 1 1 68 68 CYS H H 68 6.422 6.422 7.475 -1.053 25874 739 1 4 . 1 1 69 69 HIS N N 69 117.752 117.752 119.486 -1.734 25874 740 1 4 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.891 -2.151 25874 741 1 4 . 1 1 69 69 HIS H H 69 6.901 6.901 7.977 -1.076 25874 742 1 4 . 1 1 70 70 LYS N N 70 123.740 123.740 121.967 1.773 25874 743 1 4 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.426 -0.186 25874 744 1 4 . 1 1 70 70 LYS H H 70 7.214 7.214 7.637 -0.423 25874 745 1 5 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.391 0.377 25874 746 1 5 . 1 1 3 3 ASP N N 3 116.646 116.646 119.063 -2.417 25874 747 1 5 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.500 0.070 25874 748 1 5 . 1 1 3 3 ASP H H 3 7.252 7.252 7.953 -0.701 25874 749 1 5 . 1 1 4 4 ILE N N 4 122.597 122.597 118.740 3.857 25874 750 1 5 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.122 -0.348 25874 751 1 5 . 1 1 4 4 ILE H H 4 8.202 8.202 8.120 0.082 25874 752 1 5 . 1 1 5 5 VAL N N 5 127.035 127.035 124.451 2.584 25874 753 1 5 . 1 1 5 5 VAL H H 5 8.390 8.390 8.226 0.164 25874 754 1 5 . 1 1 6 6 PHE N N 6 129.504 129.504 125.899 3.605 25874 755 1 5 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.678 0.401 25874 756 1 5 . 1 1 6 6 PHE H H 6 9.545 9.545 8.346 1.199 25874 757 1 5 . 1 1 7 7 LYS N N 7 125.467 125.467 125.312 0.155 25874 758 1 5 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.370 0.087 25874 759 1 5 . 1 1 7 7 LYS H H 7 8.850 8.850 8.759 0.091 25874 760 1 5 . 1 1 8 8 ALA N N 8 124.878 124.878 127.558 -2.680 25874 761 1 5 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.656 0.185 25874 762 1 5 . 1 1 8 8 ALA H H 8 8.255 8.255 8.260 -0.005 25874 763 1 5 . 1 1 9 9 LYS N N 9 125.448 125.448 121.383 4.065 25874 764 1 5 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.281 -0.308 25874 765 1 5 . 1 1 9 9 LYS H H 9 10.288 10.288 8.691 1.597 25874 766 1 5 . 1 1 10 10 ASN N N 10 113.783 113.783 116.441 -2.658 25874 767 1 5 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.856 -0.603 25874 768 1 5 . 1 1 10 10 ASN H H 10 8.773 8.773 8.018 0.755 25874 769 1 5 . 1 1 11 11 GLY N N 11 110.396 110.396 107.477 2.919 25874 770 1 5 . 1 1 11 11 GLY H H 11 6.968 6.968 7.428 -0.460 25874 771 1 5 . 1 1 12 12 ASP N N 12 129.103 129.103 122.917 6.186 25874 772 1 5 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.706 -0.301 25874 773 1 5 . 1 1 12 12 ASP H H 12 7.962 7.962 8.370 -0.408 25874 774 1 5 . 1 1 13 13 VAL N N 13 121.052 121.052 124.038 -2.986 25874 775 1 5 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.513 -0.239 25874 776 1 5 . 1 1 13 13 VAL H H 13 8.620 8.620 7.997 0.624 25874 777 1 5 . 1 1 14 14 LYS N N 14 129.063 129.063 128.576 0.487 25874 778 1 5 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.731 -0.123 25874 779 1 5 . 1 1 14 14 LYS H H 14 9.012 9.012 8.615 0.397 25874 780 1 5 . 1 1 15 15 PHE N N 15 127.819 127.819 124.393 3.426 25874 781 1 5 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.104 0.577 25874 782 1 5 . 1 1 15 15 PHE H H 15 9.449 9.449 8.407 1.042 25874 783 1 5 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.561 0.009 25874 784 1 5 . 1 1 17 17 HIS N N 17 132.614 132.614 125.856 6.758 25874 785 1 5 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.835 -3.018 25874 786 1 5 . 1 1 17 17 HIS H H 17 6.540 6.540 8.277 -1.737 25874 787 1 5 . 1 1 18 18 LYS N N 18 118.133 118.133 119.651 -1.518 25874 788 1 5 . 1 1 18 18 LYS HA H 18 2.576 2.576 4.029 -1.453 25874 789 1 5 . 1 1 18 18 LYS H H 18 7.325 7.325 8.268 -0.943 25874 790 1 5 . 1 1 19 19 ALA N N 19 120.621 120.621 119.362 1.259 25874 791 1 5 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.123 -0.727 25874 792 1 5 . 1 1 19 19 ALA H H 19 7.014 7.014 8.191 -1.177 25874 793 1 5 . 1 1 20 20 HIS N N 20 116.674 116.674 116.444 0.230 25874 794 1 5 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.424 -1.932 25874 795 1 5 . 1 1 20 20 HIS H H 20 6.376 6.376 8.258 -1.882 25874 796 1 5 . 1 1 21 21 GLN N N 21 117.448 117.448 116.579 0.869 25874 797 1 5 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.215 -0.151 25874 798 1 5 . 1 1 21 21 GLN H H 21 6.796 6.796 7.703 -0.907 25874 799 1 5 . 1 1 22 22 LYS N N 22 115.279 115.279 117.720 -2.441 25874 800 1 5 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.344 -0.328 25874 801 1 5 . 1 1 22 22 LYS H H 22 6.578 6.578 7.739 -1.161 25874 802 1 5 . 1 1 23 23 ALA N N 23 120.362 120.362 121.841 -1.479 25874 803 1 5 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.309 -0.115 25874 804 1 5 . 1 1 23 23 ALA H H 23 6.963 6.963 7.628 -0.665 25874 805 1 5 . 1 1 24 24 VAL N N 24 120.608 120.608 119.374 1.234 25874 806 1 5 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.438 0.159 25874 807 1 5 . 1 1 24 24 VAL H H 24 8.369 8.369 7.539 0.830 25874 808 1 5 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.474 0.300 25874 809 1 5 . 1 1 26 26 ASP N N 26 117.853 117.853 120.960 -3.107 25874 810 1 5 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.500 0.578 25874 811 1 5 . 1 1 26 26 ASP H H 26 7.828 7.828 8.472 -0.644 25874 812 1 5 . 1 1 27 27 CYS N N 27 123.776 123.776 124.938 -1.162 25874 813 1 5 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.478 0.486 25874 814 1 5 . 1 1 27 27 CYS H H 27 8.544 8.544 8.713 -0.169 25874 815 1 5 . 1 1 28 28 LYS N N 28 114.260 114.260 121.102 -6.842 25874 816 1 5 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.285 -0.788 25874 817 1 5 . 1 1 28 28 LYS H H 28 8.062 8.062 8.218 -0.156 25874 818 1 5 . 1 1 29 29 LYS N N 29 118.718 118.718 116.504 2.214 25874 819 1 5 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.153 -0.120 25874 820 1 5 . 1 1 29 29 LYS H H 29 7.751 7.751 7.853 -0.102 25874 821 1 5 . 1 1 30 30 CYS N N 30 111.794 111.794 114.302 -2.508 25874 822 1 5 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.605 0.035 25874 823 1 5 . 1 1 30 30 CYS H H 30 6.273 6.273 8.371 -2.098 25874 824 1 5 . 1 1 31 31 HIS N N 31 118.519 118.519 120.594 -2.075 25874 825 1 5 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.946 -1.881 25874 826 1 5 . 1 1 31 31 HIS H H 31 7.120 7.120 8.554 -1.434 25874 827 1 5 . 1 1 32 32 GLU N N 32 125.364 125.364 121.846 3.518 25874 828 1 5 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.179 -0.483 25874 829 1 5 . 1 1 32 32 GLU H H 32 7.986 7.986 8.276 -0.290 25874 830 1 5 . 1 1 33 33 LYS N N 33 115.015 115.015 119.610 -4.595 25874 831 1 5 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.377 -0.164 25874 832 1 5 . 1 1 33 33 LYS H H 33 8.183 8.183 8.003 0.180 25874 833 1 5 . 1 1 34 34 GLY N N 34 107.428 107.428 109.539 -2.111 25874 834 1 5 . 1 1 34 34 GLY H H 34 6.624 6.624 7.768 -1.144 25874 835 1 5 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.606 -2.970 25874 836 1 5 . 1 1 36 36 GLY N N 36 109.389 109.389 107.908 1.481 25874 837 1 5 . 1 1 36 36 GLY H H 36 3.873 3.873 7.500 -3.627 25874 838 1 5 . 1 1 37 37 LYS N N 37 116.850 116.850 120.538 -3.688 25874 839 1 5 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.493 -0.334 25874 840 1 5 . 1 1 37 37 LYS H H 37 7.981 7.981 8.329 -0.348 25874 841 1 5 . 1 1 38 38 ILE N N 38 128.778 128.778 122.323 6.455 25874 842 1 5 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.352 -0.628 25874 843 1 5 . 1 1 38 38 ILE H H 38 10.493 10.493 8.497 1.996 25874 844 1 5 . 1 1 39 39 GLU N N 39 130.536 130.536 129.275 1.261 25874 845 1 5 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.264 -0.246 25874 846 1 5 . 1 1 39 39 GLU H H 39 8.595 8.595 9.035 -0.440 25874 847 1 5 . 1 1 40 40 GLY N N 40 113.068 113.068 113.629 -0.561 25874 848 1 5 . 1 1 40 40 GLY H H 40 9.115 9.115 8.249 0.866 25874 849 1 5 . 1 1 41 41 PHE N N 41 121.942 121.942 121.776 0.166 25874 850 1 5 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.282 0.018 25874 851 1 5 . 1 1 41 41 PHE H H 41 8.010 8.010 7.801 0.209 25874 852 1 5 . 1 1 42 42 GLY N N 42 114.942 114.942 109.814 5.128 25874 853 1 5 . 1 1 42 42 GLY H H 42 5.768 5.768 6.593 -0.825 25874 854 1 5 . 1 1 43 43 LYS N N 43 122.844 122.844 119.407 3.437 25874 855 1 5 . 1 1 43 43 LYS HA H 43 2.302 2.302 3.037 -0.735 25874 856 1 5 . 1 1 43 43 LYS H H 43 8.884 8.884 8.426 0.458 25874 857 1 5 . 1 1 44 44 GLU N N 44 115.043 115.043 119.489 -4.446 25874 858 1 5 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.823 -0.779 25874 859 1 5 . 1 1 44 44 GLU H H 44 7.923 7.923 8.051 -0.128 25874 860 1 5 . 1 1 45 45 MET N N 45 118.080 118.080 118.088 -0.008 25874 861 1 5 . 1 1 45 45 MET HA H 45 3.848 3.848 4.184 -0.336 25874 862 1 5 . 1 1 45 45 MET H H 45 7.559 7.559 7.999 -0.440 25874 863 1 5 . 1 1 46 46 ALA N N 46 122.871 122.871 120.443 2.428 25874 864 1 5 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.665 0.295 25874 865 1 5 . 1 1 46 46 ALA H H 46 7.907 7.907 7.310 0.597 25874 866 1 5 . 1 1 47 47 HIS N N 47 113.174 113.174 115.298 -2.124 25874 867 1 5 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.489 -1.772 25874 868 1 5 . 1 1 47 47 HIS H H 47 6.721 6.721 8.358 -1.637 25874 869 1 5 . 1 1 48 48 GLY N N 48 109.910 109.910 108.137 1.773 25874 870 1 5 . 1 1 48 48 GLY H H 48 6.697 6.697 7.875 -1.178 25874 871 1 5 . 1 1 49 49 LYS N N 49 125.155 125.155 121.121 4.034 25874 872 1 5 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.236 -0.518 25874 873 1 5 . 1 1 49 49 LYS H H 49 8.725 8.725 8.379 0.346 25874 874 1 5 . 1 1 50 50 GLY N N 50 105.682 105.682 107.182 -1.500 25874 875 1 5 . 1 1 50 50 GLY H H 50 8.455 8.455 7.925 0.530 25874 876 1 5 . 1 1 51 51 CYS N N 51 110.903 110.903 117.712 -6.809 25874 877 1 5 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.241 1.352 25874 878 1 5 . 1 1 51 51 CYS H H 51 6.640 6.640 7.582 -0.942 25874 879 1 5 . 1 1 52 52 LYS N N 52 120.482 120.482 120.501 -0.019 25874 880 1 5 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.148 -1.640 25874 881 1 5 . 1 1 52 52 LYS H H 52 7.906 7.906 7.557 0.349 25874 882 1 5 . 1 1 53 53 GLY N N 53 102.630 102.630 108.093 -5.463 25874 883 1 5 . 1 1 53 53 GLY H H 53 8.549 8.549 8.063 0.486 25874 884 1 5 . 1 1 54 54 CYS N N 54 120.890 120.890 119.131 1.759 25874 885 1 5 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.722 -0.323 25874 886 1 5 . 1 1 54 54 CYS H H 54 6.584 6.584 8.018 -1.434 25874 887 1 5 . 1 1 55 55 HIS N N 55 117.794 117.794 119.606 -1.812 25874 888 1 5 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.815 -1.105 25874 889 1 5 . 1 1 55 55 HIS H H 55 5.404 5.404 7.558 -2.154 25874 890 1 5 . 1 1 56 56 GLU N N 56 116.823 116.823 120.481 -3.658 25874 891 1 5 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.032 -0.403 25874 892 1 5 . 1 1 56 56 GLU H H 56 7.969 7.969 8.436 -0.467 25874 893 1 5 . 1 1 57 57 GLU N N 57 120.523 120.523 117.768 2.755 25874 894 1 5 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.045 -0.024 25874 895 1 5 . 1 1 57 57 GLU H H 57 7.485 7.485 7.839 -0.354 25874 896 1 5 . 1 1 58 58 MET N N 58 115.336 115.336 114.099 1.237 25874 897 1 5 . 1 1 58 58 MET HA H 58 4.352 4.352 4.566 -0.214 25874 898 1 5 . 1 1 58 58 MET H H 58 8.866 8.866 7.552 1.314 25874 899 1 5 . 1 1 59 59 LYS N N 59 114.369 114.369 117.112 -2.743 25874 900 1 5 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.024 -0.311 25874 901 1 5 . 1 1 59 59 LYS H H 59 7.691 7.691 8.185 -0.494 25874 902 1 5 . 1 1 60 60 LYS N N 60 118.488 118.488 119.406 -0.918 25874 903 1 5 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.539 -0.260 25874 904 1 5 . 1 1 60 60 LYS H H 60 7.566 7.566 7.791 -0.225 25874 905 1 5 . 1 1 61 61 GLY N N 61 103.494 103.494 109.982 -6.488 25874 906 1 5 . 1 1 61 61 GLY H H 61 7.514 7.514 8.042 -0.528 25874 907 1 5 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.465 -0.538 25874 908 1 5 . 1 1 63 63 THR N N 63 109.032 109.032 115.182 -6.150 25874 909 1 5 . 1 1 63 63 THR HA H 63 4.403 4.403 4.432 -0.029 25874 910 1 5 . 1 1 63 63 THR H H 63 8.271 8.271 8.062 0.209 25874 911 1 5 . 1 1 64 64 LYS N N 64 124.136 124.136 120.389 3.747 25874 912 1 5 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.601 0.515 25874 913 1 5 . 1 1 64 64 LYS H H 64 8.437 8.437 7.725 0.712 25874 914 1 5 . 1 1 65 65 CYS N N 65 118.006 118.006 117.419 0.587 25874 915 1 5 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.630 0.139 25874 916 1 5 . 1 1 65 65 CYS H H 65 8.731 8.731 8.748 -0.017 25874 917 1 5 . 1 1 66 66 GLY N N 66 101.862 101.862 107.823 -5.961 25874 918 1 5 . 1 1 66 66 GLY H H 66 8.809 8.809 8.387 0.422 25874 919 1 5 . 1 1 67 67 GLU N N 67 116.476 116.476 120.342 -3.866 25874 920 1 5 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.481 -0.320 25874 921 1 5 . 1 1 67 67 GLU H H 67 7.694 7.694 7.679 0.015 25874 922 1 5 . 1 1 68 68 CYS N N 68 114.694 114.694 117.033 -2.339 25874 923 1 5 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.366 0.337 25874 924 1 5 . 1 1 68 68 CYS H H 68 6.422 6.422 7.489 -1.067 25874 925 1 5 . 1 1 69 69 HIS N N 69 117.752 117.752 119.452 -1.700 25874 926 1 5 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.863 -2.123 25874 927 1 5 . 1 1 69 69 HIS H H 69 6.901 6.901 7.858 -0.957 25874 928 1 5 . 1 1 70 70 LYS N N 70 123.740 123.740 122.874 0.866 25874 929 1 5 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.397 -0.157 25874 930 1 5 . 1 1 70 70 LYS H H 70 7.214 7.214 7.651 -0.437 25874 931 1 6 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.555 0.213 25874 932 1 6 . 1 1 3 3 ASP N N 3 116.646 116.646 118.496 -1.850 25874 933 1 6 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.482 0.088 25874 934 1 6 . 1 1 3 3 ASP H H 3 7.252 7.252 7.940 -0.688 25874 935 1 6 . 1 1 4 4 ILE N N 4 122.597 122.597 118.786 3.811 25874 936 1 6 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.148 -0.374 25874 937 1 6 . 1 1 4 4 ILE H H 4 8.202 8.202 7.958 0.244 25874 938 1 6 . 1 1 5 5 VAL N N 5 127.035 127.035 124.238 2.797 25874 939 1 6 . 1 1 5 5 VAL H H 5 8.390 8.390 8.215 0.175 25874 940 1 6 . 1 1 6 6 PHE N N 6 129.504 129.504 126.295 3.209 25874 941 1 6 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.712 0.367 25874 942 1 6 . 1 1 6 6 PHE H H 6 9.545 9.545 8.280 1.265 25874 943 1 6 . 1 1 7 7 LYS N N 7 125.467 125.467 125.218 0.249 25874 944 1 6 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.329 0.128 25874 945 1 6 . 1 1 7 7 LYS H H 7 8.850 8.850 8.773 0.077 25874 946 1 6 . 1 1 8 8 ALA N N 8 124.878 124.878 128.074 -3.196 25874 947 1 6 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.607 0.234 25874 948 1 6 . 1 1 8 8 ALA H H 8 8.255 8.255 8.226 0.029 25874 949 1 6 . 1 1 9 9 LYS N N 9 125.448 125.448 122.077 3.371 25874 950 1 6 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.267 -0.294 25874 951 1 6 . 1 1 9 9 LYS H H 9 10.288 10.288 8.685 1.603 25874 952 1 6 . 1 1 10 10 ASN N N 10 113.783 113.783 117.026 -3.243 25874 953 1 6 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.812 -0.559 25874 954 1 6 . 1 1 10 10 ASN H H 10 8.773 8.773 7.991 0.782 25874 955 1 6 . 1 1 11 11 GLY N N 11 110.396 110.396 107.966 2.430 25874 956 1 6 . 1 1 11 11 GLY H H 11 6.968 6.968 7.436 -0.468 25874 957 1 6 . 1 1 12 12 ASP N N 12 129.103 129.103 123.181 5.922 25874 958 1 6 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.708 -0.303 25874 959 1 6 . 1 1 12 12 ASP H H 12 7.962 7.962 8.436 -0.474 25874 960 1 6 . 1 1 13 13 VAL N N 13 121.052 121.052 126.647 -5.595 25874 961 1 6 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.383 -0.109 25874 962 1 6 . 1 1 13 13 VAL H H 13 8.620 8.620 8.030 0.590 25874 963 1 6 . 1 1 14 14 LYS N N 14 129.063 129.063 127.389 1.674 25874 964 1 6 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.522 0.086 25874 965 1 6 . 1 1 14 14 LYS H H 14 9.012 9.012 8.130 0.882 25874 966 1 6 . 1 1 15 15 PHE N N 15 127.819 127.819 125.523 2.296 25874 967 1 6 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.133 0.548 25874 968 1 6 . 1 1 15 15 PHE H H 15 9.449 9.449 8.636 0.813 25874 969 1 6 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.790 -0.220 25874 970 1 6 . 1 1 17 17 HIS N N 17 132.614 132.614 125.900 6.714 25874 971 1 6 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.709 -2.892 25874 972 1 6 . 1 1 17 17 HIS H H 17 6.540 6.540 8.184 -1.644 25874 973 1 6 . 1 1 18 18 LYS N N 18 118.133 118.133 120.014 -1.881 25874 974 1 6 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.852 -1.276 25874 975 1 6 . 1 1 18 18 LYS H H 18 7.325 7.325 8.384 -1.059 25874 976 1 6 . 1 1 19 19 ALA N N 19 120.621 120.621 121.323 -0.702 25874 977 1 6 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.053 -0.657 25874 978 1 6 . 1 1 19 19 ALA H H 19 7.014 7.014 8.299 -1.285 25874 979 1 6 . 1 1 20 20 HIS N N 20 116.674 116.674 116.890 -0.216 25874 980 1 6 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.369 -1.877 25874 981 1 6 . 1 1 20 20 HIS H H 20 6.376 6.376 8.073 -1.697 25874 982 1 6 . 1 1 21 21 GLN N N 21 117.448 117.448 116.598 0.850 25874 983 1 6 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.101 -0.037 25874 984 1 6 . 1 1 21 21 GLN H H 21 6.796 6.796 8.180 -1.384 25874 985 1 6 . 1 1 22 22 LYS N N 22 115.279 115.279 117.315 -2.036 25874 986 1 6 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.306 -0.290 25874 987 1 6 . 1 1 22 22 LYS H H 22 6.578 6.578 7.607 -1.029 25874 988 1 6 . 1 1 23 23 ALA N N 23 120.362 120.362 121.879 -1.517 25874 989 1 6 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.341 -0.147 25874 990 1 6 . 1 1 23 23 ALA H H 23 6.963 6.963 7.443 -0.480 25874 991 1 6 . 1 1 24 24 VAL N N 24 120.608 120.608 119.643 0.965 25874 992 1 6 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.517 0.080 25874 993 1 6 . 1 1 24 24 VAL H H 24 8.369 8.369 8.291 0.078 25874 994 1 6 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.551 0.223 25874 995 1 6 . 1 1 26 26 ASP N N 26 117.853 117.853 121.171 -3.318 25874 996 1 6 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.475 0.603 25874 997 1 6 . 1 1 26 26 ASP H H 26 7.828 7.828 8.531 -0.703 25874 998 1 6 . 1 1 27 27 CYS N N 27 123.776 123.776 124.060 -0.284 25874 999 1 6 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.532 0.432 25874 1000 1 6 . 1 1 27 27 CYS H H 27 8.544 8.544 8.716 -0.172 25874 1001 1 6 . 1 1 28 28 LYS N N 28 114.260 114.260 121.807 -7.547 25874 1002 1 6 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.235 -0.738 25874 1003 1 6 . 1 1 28 28 LYS H H 28 8.062 8.062 8.160 -0.098 25874 1004 1 6 . 1 1 29 29 LYS N N 29 118.718 118.718 116.780 1.938 25874 1005 1 6 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.159 -0.126 25874 1006 1 6 . 1 1 29 29 LYS H H 29 7.751 7.751 8.276 -0.525 25874 1007 1 6 . 1 1 30 30 CYS N N 30 111.794 111.794 113.098 -1.304 25874 1008 1 6 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.491 0.149 25874 1009 1 6 . 1 1 30 30 CYS H H 30 6.273 6.273 8.382 -2.109 25874 1010 1 6 . 1 1 31 31 HIS N N 31 118.519 118.519 120.904 -2.385 25874 1011 1 6 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.916 -1.851 25874 1012 1 6 . 1 1 31 31 HIS H H 31 7.120 7.120 8.618 -1.498 25874 1013 1 6 . 1 1 32 32 GLU N N 32 125.364 125.364 121.058 4.306 25874 1014 1 6 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.107 -0.411 25874 1015 1 6 . 1 1 32 32 GLU H H 32 7.986 7.986 7.951 0.035 25874 1016 1 6 . 1 1 33 33 LYS N N 33 115.015 115.015 118.171 -3.156 25874 1017 1 6 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.396 -0.183 25874 1018 1 6 . 1 1 33 33 LYS H H 33 8.183 8.183 7.855 0.328 25874 1019 1 6 . 1 1 34 34 GLY N N 34 107.428 107.428 109.508 -2.080 25874 1020 1 6 . 1 1 34 34 GLY H H 34 6.624 6.624 7.726 -1.102 25874 1021 1 6 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.558 -2.922 25874 1022 1 6 . 1 1 36 36 GLY N N 36 109.389 109.389 106.559 2.830 25874 1023 1 6 . 1 1 36 36 GLY H H 36 3.873 3.873 7.503 -3.630 25874 1024 1 6 . 1 1 37 37 LYS N N 37 116.850 116.850 119.655 -2.805 25874 1025 1 6 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.349 -0.190 25874 1026 1 6 . 1 1 37 37 LYS H H 37 7.981 7.981 8.341 -0.359 25874 1027 1 6 . 1 1 38 38 ILE N N 38 128.778 128.778 122.487 6.291 25874 1028 1 6 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.363 -0.639 25874 1029 1 6 . 1 1 38 38 ILE H H 38 10.493 10.493 8.558 1.935 25874 1030 1 6 . 1 1 39 39 GLU N N 39 130.536 130.536 126.114 4.422 25874 1031 1 6 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.117 -0.099 25874 1032 1 6 . 1 1 39 39 GLU H H 39 8.595 8.595 9.008 -0.413 25874 1033 1 6 . 1 1 40 40 GLY N N 40 113.068 113.068 113.041 0.027 25874 1034 1 6 . 1 1 40 40 GLY H H 40 9.115 9.115 8.485 0.630 25874 1035 1 6 . 1 1 41 41 PHE N N 41 121.942 121.942 121.849 0.093 25874 1036 1 6 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.240 0.060 25874 1037 1 6 . 1 1 41 41 PHE H H 41 8.010 8.010 8.219 -0.209 25874 1038 1 6 . 1 1 42 42 GLY N N 42 114.942 114.942 107.447 7.495 25874 1039 1 6 . 1 1 42 42 GLY H H 42 5.768 5.768 6.054 -0.286 25874 1040 1 6 . 1 1 43 43 LYS N N 43 122.844 122.844 118.383 4.461 25874 1041 1 6 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.872 -0.570 25874 1042 1 6 . 1 1 43 43 LYS H H 43 8.884 8.884 8.281 0.603 25874 1043 1 6 . 1 1 44 44 GLU N N 44 115.043 115.043 119.446 -4.403 25874 1044 1 6 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.801 -0.757 25874 1045 1 6 . 1 1 44 44 GLU H H 44 7.923 7.923 8.004 -0.081 25874 1046 1 6 . 1 1 45 45 MET N N 45 118.080 118.080 118.521 -0.441 25874 1047 1 6 . 1 1 45 45 MET HA H 45 3.848 3.848 4.187 -0.339 25874 1048 1 6 . 1 1 45 45 MET H H 45 7.559 7.559 7.533 0.026 25874 1049 1 6 . 1 1 46 46 ALA N N 46 122.871 122.871 120.186 2.685 25874 1050 1 6 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.744 0.216 25874 1051 1 6 . 1 1 46 46 ALA H H 46 7.907 7.907 7.605 0.302 25874 1052 1 6 . 1 1 47 47 HIS N N 47 113.174 113.174 115.941 -2.767 25874 1053 1 6 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.469 -1.752 25874 1054 1 6 . 1 1 47 47 HIS H H 47 6.721 6.721 7.980 -1.259 25874 1055 1 6 . 1 1 48 48 GLY N N 48 109.910 109.910 107.821 2.089 25874 1056 1 6 . 1 1 48 48 GLY H H 48 6.697 6.697 8.142 -1.445 25874 1057 1 6 . 1 1 49 49 LYS N N 49 125.155 125.155 121.945 3.210 25874 1058 1 6 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.207 -0.489 25874 1059 1 6 . 1 1 49 49 LYS H H 49 8.725 8.725 8.307 0.418 25874 1060 1 6 . 1 1 50 50 GLY N N 50 105.682 105.682 107.667 -1.985 25874 1061 1 6 . 1 1 50 50 GLY H H 50 8.455 8.455 8.188 0.267 25874 1062 1 6 . 1 1 51 51 CYS N N 51 110.903 110.903 117.465 -6.562 25874 1063 1 6 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.300 1.293 25874 1064 1 6 . 1 1 51 51 CYS H H 51 6.640 6.640 7.519 -0.879 25874 1065 1 6 . 1 1 52 52 LYS N N 52 120.482 120.482 120.740 -0.258 25874 1066 1 6 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.150 -1.642 25874 1067 1 6 . 1 1 52 52 LYS H H 52 7.906 7.906 7.545 0.361 25874 1068 1 6 . 1 1 53 53 GLY N N 53 102.630 102.630 107.687 -5.057 25874 1069 1 6 . 1 1 53 53 GLY H H 53 8.549 8.549 7.972 0.577 25874 1070 1 6 . 1 1 54 54 CYS N N 54 120.890 120.890 118.679 2.211 25874 1071 1 6 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.532 -0.133 25874 1072 1 6 . 1 1 54 54 CYS H H 54 6.584 6.584 7.881 -1.297 25874 1073 1 6 . 1 1 55 55 HIS N N 55 117.794 117.794 119.673 -1.879 25874 1074 1 6 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.842 -1.132 25874 1075 1 6 . 1 1 55 55 HIS H H 55 5.404 5.404 7.707 -2.303 25874 1076 1 6 . 1 1 56 56 GLU N N 56 116.823 116.823 120.464 -3.641 25874 1077 1 6 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.027 -0.398 25874 1078 1 6 . 1 1 56 56 GLU H H 56 7.969 7.969 8.545 -0.576 25874 1079 1 6 . 1 1 57 57 GLU N N 57 120.523 120.523 117.781 2.742 25874 1080 1 6 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.055 -0.034 25874 1081 1 6 . 1 1 57 57 GLU H H 57 7.485 7.485 7.860 -0.375 25874 1082 1 6 . 1 1 58 58 MET N N 58 115.336 115.336 114.395 0.941 25874 1083 1 6 . 1 1 58 58 MET HA H 58 4.352 4.352 4.561 -0.209 25874 1084 1 6 . 1 1 58 58 MET H H 58 8.866 8.866 7.603 1.263 25874 1085 1 6 . 1 1 59 59 LYS N N 59 114.369 114.369 116.881 -2.512 25874 1086 1 6 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.050 -0.337 25874 1087 1 6 . 1 1 59 59 LYS H H 59 7.691 7.691 8.162 -0.471 25874 1088 1 6 . 1 1 60 60 LYS N N 60 118.488 118.488 119.306 -0.818 25874 1089 1 6 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.548 -0.269 25874 1090 1 6 . 1 1 60 60 LYS H H 60 7.566 7.566 7.795 -0.229 25874 1091 1 6 . 1 1 61 61 GLY N N 61 103.494 103.494 111.018 -7.524 25874 1092 1 6 . 1 1 61 61 GLY H H 61 7.514 7.514 8.371 -0.857 25874 1093 1 6 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.679 -0.752 25874 1094 1 6 . 1 1 63 63 THR N N 63 109.032 109.032 114.986 -5.954 25874 1095 1 6 . 1 1 63 63 THR HA H 63 4.403 4.403 4.380 0.023 25874 1096 1 6 . 1 1 63 63 THR H H 63 8.271 8.271 8.142 0.129 25874 1097 1 6 . 1 1 64 64 LYS N N 64 124.136 124.136 122.085 2.051 25874 1098 1 6 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.668 0.448 25874 1099 1 6 . 1 1 64 64 LYS H H 64 8.437 8.437 7.649 0.788 25874 1100 1 6 . 1 1 65 65 CYS N N 65 118.006 118.006 117.146 0.860 25874 1101 1 6 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.585 0.184 25874 1102 1 6 . 1 1 65 65 CYS H H 65 8.731 8.731 8.625 0.106 25874 1103 1 6 . 1 1 66 66 GLY N N 66 101.862 101.862 107.901 -6.039 25874 1104 1 6 . 1 1 66 66 GLY H H 66 8.809 8.809 8.490 0.319 25874 1105 1 6 . 1 1 67 67 GLU N N 67 116.476 116.476 119.965 -3.489 25874 1106 1 6 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.391 -0.230 25874 1107 1 6 . 1 1 67 67 GLU H H 67 7.694 7.694 7.660 0.034 25874 1108 1 6 . 1 1 68 68 CYS N N 68 114.694 114.694 116.817 -2.123 25874 1109 1 6 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.455 0.248 25874 1110 1 6 . 1 1 68 68 CYS H H 68 6.422 6.422 7.483 -1.061 25874 1111 1 6 . 1 1 69 69 HIS N N 69 117.752 117.752 119.805 -2.053 25874 1112 1 6 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.905 -2.165 25874 1113 1 6 . 1 1 69 69 HIS H H 69 6.901 6.901 7.905 -1.004 25874 1114 1 6 . 1 1 70 70 LYS N N 70 123.740 123.740 122.048 1.692 25874 1115 1 6 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.430 -0.190 25874 1116 1 6 . 1 1 70 70 LYS H H 70 7.214 7.214 7.839 -0.625 25874 1117 1 7 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.488 0.280 25874 1118 1 7 . 1 1 3 3 ASP N N 3 116.646 116.646 118.528 -1.882 25874 1119 1 7 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.485 0.085 25874 1120 1 7 . 1 1 3 3 ASP H H 3 7.252 7.252 7.900 -0.648 25874 1121 1 7 . 1 1 4 4 ILE N N 4 122.597 122.597 118.814 3.783 25874 1122 1 7 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.158 -0.384 25874 1123 1 7 . 1 1 4 4 ILE H H 4 8.202 8.202 7.791 0.411 25874 1124 1 7 . 1 1 5 5 VAL N N 5 127.035 127.035 123.721 3.314 25874 1125 1 7 . 1 1 5 5 VAL H H 5 8.390 8.390 8.182 0.208 25874 1126 1 7 . 1 1 6 6 PHE N N 6 129.504 129.504 125.921 3.583 25874 1127 1 7 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.675 0.404 25874 1128 1 7 . 1 1 6 6 PHE H H 6 9.545 9.545 8.624 0.921 25874 1129 1 7 . 1 1 7 7 LYS N N 7 125.467 125.467 124.928 0.539 25874 1130 1 7 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.309 0.148 25874 1131 1 7 . 1 1 7 7 LYS H H 7 8.850 8.850 8.768 0.082 25874 1132 1 7 . 1 1 8 8 ALA N N 8 124.878 124.878 128.393 -3.515 25874 1133 1 7 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.636 0.205 25874 1134 1 7 . 1 1 8 8 ALA H H 8 8.255 8.255 8.200 0.055 25874 1135 1 7 . 1 1 9 9 LYS N N 9 125.448 125.448 121.725 3.723 25874 1136 1 7 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.296 -0.323 25874 1137 1 7 . 1 1 9 9 LYS H H 9 10.288 10.288 8.736 1.552 25874 1138 1 7 . 1 1 10 10 ASN N N 10 113.783 113.783 116.518 -2.735 25874 1139 1 7 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.842 -0.589 25874 1140 1 7 . 1 1 10 10 ASN H H 10 8.773 8.773 8.017 0.756 25874 1141 1 7 . 1 1 11 11 GLY N N 11 110.396 110.396 107.669 2.727 25874 1142 1 7 . 1 1 11 11 GLY H H 11 6.968 6.968 7.455 -0.487 25874 1143 1 7 . 1 1 12 12 ASP N N 12 129.103 129.103 122.499 6.604 25874 1144 1 7 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.693 -0.288 25874 1145 1 7 . 1 1 12 12 ASP H H 12 7.962 7.962 8.385 -0.423 25874 1146 1 7 . 1 1 13 13 VAL N N 13 121.052 121.052 124.526 -3.474 25874 1147 1 7 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.572 -0.298 25874 1148 1 7 . 1 1 13 13 VAL H H 13 8.620 8.620 7.931 0.689 25874 1149 1 7 . 1 1 14 14 LYS N N 14 129.063 129.063 124.982 4.081 25874 1150 1 7 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.371 0.237 25874 1151 1 7 . 1 1 14 14 LYS H H 14 9.012 9.012 8.044 0.968 25874 1152 1 7 . 1 1 15 15 PHE N N 15 127.819 127.819 125.019 2.800 25874 1153 1 7 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.085 0.596 25874 1154 1 7 . 1 1 15 15 PHE H H 15 9.449 9.449 8.631 0.818 25874 1155 1 7 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.739 -0.169 25874 1156 1 7 . 1 1 17 17 HIS N N 17 132.614 132.614 126.783 5.831 25874 1157 1 7 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.869 -3.052 25874 1158 1 7 . 1 1 17 17 HIS H H 17 6.540 6.540 8.505 -1.965 25874 1159 1 7 . 1 1 18 18 LYS N N 18 118.133 118.133 120.107 -1.974 25874 1160 1 7 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.986 -1.410 25874 1161 1 7 . 1 1 18 18 LYS H H 18 7.325 7.325 8.215 -0.890 25874 1162 1 7 . 1 1 19 19 ALA N N 19 120.621 120.621 119.010 1.611 25874 1163 1 7 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.001 -0.605 25874 1164 1 7 . 1 1 19 19 ALA H H 19 7.014 7.014 8.231 -1.217 25874 1165 1 7 . 1 1 20 20 HIS N N 20 116.674 116.674 117.761 -1.087 25874 1166 1 7 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.230 -1.738 25874 1167 1 7 . 1 1 20 20 HIS H H 20 6.376 6.376 7.774 -1.398 25874 1168 1 7 . 1 1 21 21 GLN N N 21 117.448 117.448 116.042 1.406 25874 1169 1 7 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.100 -0.036 25874 1170 1 7 . 1 1 21 21 GLN H H 21 6.796 6.796 8.029 -1.233 25874 1171 1 7 . 1 1 22 22 LYS N N 22 115.279 115.279 115.973 -0.694 25874 1172 1 7 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.370 -0.354 25874 1173 1 7 . 1 1 22 22 LYS H H 22 6.578 6.578 7.974 -1.396 25874 1174 1 7 . 1 1 23 23 ALA N N 23 120.362 120.362 122.263 -1.901 25874 1175 1 7 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.370 -0.176 25874 1176 1 7 . 1 1 23 23 ALA H H 23 6.963 6.963 7.279 -0.316 25874 1177 1 7 . 1 1 24 24 VAL N N 24 120.608 120.608 119.497 1.111 25874 1178 1 7 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.522 0.075 25874 1179 1 7 . 1 1 24 24 VAL H H 24 8.369 8.369 8.180 0.190 25874 1180 1 7 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.505 0.269 25874 1181 1 7 . 1 1 26 26 ASP N N 26 117.853 117.853 121.023 -3.170 25874 1182 1 7 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.505 0.573 25874 1183 1 7 . 1 1 26 26 ASP H H 26 7.828 7.828 8.460 -0.632 25874 1184 1 7 . 1 1 27 27 CYS N N 27 123.776 123.776 124.757 -0.981 25874 1185 1 7 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.476 0.488 25874 1186 1 7 . 1 1 27 27 CYS H H 27 8.544 8.544 8.738 -0.194 25874 1187 1 7 . 1 1 28 28 LYS N N 28 114.260 114.260 121.065 -6.805 25874 1188 1 7 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.252 -0.755 25874 1189 1 7 . 1 1 28 28 LYS H H 28 8.062 8.062 8.118 -0.056 25874 1190 1 7 . 1 1 29 29 LYS N N 29 118.718 118.718 117.150 1.568 25874 1191 1 7 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.137 -0.104 25874 1192 1 7 . 1 1 29 29 LYS H H 29 7.751 7.751 7.820 -0.069 25874 1193 1 7 . 1 1 30 30 CYS N N 30 111.794 111.794 113.617 -1.823 25874 1194 1 7 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.462 0.178 25874 1195 1 7 . 1 1 30 30 CYS H H 30 6.273 6.273 8.393 -2.120 25874 1196 1 7 . 1 1 31 31 HIS N N 31 118.519 118.519 120.919 -2.400 25874 1197 1 7 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.860 -1.795 25874 1198 1 7 . 1 1 31 31 HIS H H 31 7.120 7.120 8.708 -1.588 25874 1199 1 7 . 1 1 32 32 GLU N N 32 125.364 125.364 123.215 2.149 25874 1200 1 7 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.248 -0.552 25874 1201 1 7 . 1 1 32 32 GLU H H 32 7.986 7.986 8.401 -0.415 25874 1202 1 7 . 1 1 33 33 LYS N N 33 115.015 115.015 119.581 -4.566 25874 1203 1 7 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.401 -0.188 25874 1204 1 7 . 1 1 33 33 LYS H H 33 8.183 8.183 7.888 0.295 25874 1205 1 7 . 1 1 34 34 GLY N N 34 107.428 107.428 109.309 -1.881 25874 1206 1 7 . 1 1 34 34 GLY H H 34 6.624 6.624 7.589 -0.965 25874 1207 1 7 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.477 -2.841 25874 1208 1 7 . 1 1 36 36 GLY N N 36 109.389 109.389 108.371 1.018 25874 1209 1 7 . 1 1 36 36 GLY H H 36 3.873 3.873 7.149 -3.276 25874 1210 1 7 . 1 1 37 37 LYS N N 37 116.850 116.850 121.281 -4.431 25874 1211 1 7 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.537 -0.378 25874 1212 1 7 . 1 1 37 37 LYS H H 37 7.981 7.981 8.373 -0.392 25874 1213 1 7 . 1 1 38 38 ILE N N 38 128.778 128.778 123.348 5.430 25874 1214 1 7 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.344 -0.620 25874 1215 1 7 . 1 1 38 38 ILE H H 38 10.493 10.493 8.618 1.875 25874 1216 1 7 . 1 1 39 39 GLU N N 39 130.536 130.536 126.630 3.906 25874 1217 1 7 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.234 -0.216 25874 1218 1 7 . 1 1 39 39 GLU H H 39 8.595 8.595 8.987 -0.392 25874 1219 1 7 . 1 1 40 40 GLY N N 40 113.068 113.068 112.542 0.526 25874 1220 1 7 . 1 1 40 40 GLY H H 40 9.115 9.115 8.168 0.947 25874 1221 1 7 . 1 1 41 41 PHE N N 41 121.942 121.942 121.815 0.127 25874 1222 1 7 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.322 -0.022 25874 1223 1 7 . 1 1 41 41 PHE H H 41 8.010 8.010 8.010 0.000 25874 1224 1 7 . 1 1 42 42 GLY N N 42 114.942 114.942 108.108 6.834 25874 1225 1 7 . 1 1 42 42 GLY H H 42 5.768 5.768 6.208 -0.440 25874 1226 1 7 . 1 1 43 43 LYS N N 43 122.844 122.844 118.398 4.446 25874 1227 1 7 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.892 -0.590 25874 1228 1 7 . 1 1 43 43 LYS H H 43 8.884 8.884 8.267 0.617 25874 1229 1 7 . 1 1 44 44 GLU N N 44 115.043 115.043 119.662 -4.619 25874 1230 1 7 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.821 -0.777 25874 1231 1 7 . 1 1 44 44 GLU H H 44 7.923 7.923 8.003 -0.080 25874 1232 1 7 . 1 1 45 45 MET N N 45 118.080 118.080 118.250 -0.170 25874 1233 1 7 . 1 1 45 45 MET HA H 45 3.848 3.848 4.222 -0.374 25874 1234 1 7 . 1 1 45 45 MET H H 45 7.559 7.559 7.521 0.038 25874 1235 1 7 . 1 1 46 46 ALA N N 46 122.871 122.871 120.321 2.550 25874 1236 1 7 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.811 0.149 25874 1237 1 7 . 1 1 46 46 ALA H H 46 7.907 7.907 7.679 0.228 25874 1238 1 7 . 1 1 47 47 HIS N N 47 113.174 113.174 115.898 -2.724 25874 1239 1 7 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.502 -1.785 25874 1240 1 7 . 1 1 47 47 HIS H H 47 6.721 6.721 7.987 -1.266 25874 1241 1 7 . 1 1 48 48 GLY N N 48 109.910 109.910 108.033 1.877 25874 1242 1 7 . 1 1 48 48 GLY H H 48 6.697 6.697 8.079 -1.382 25874 1243 1 7 . 1 1 49 49 LYS N N 49 125.155 125.155 120.997 4.158 25874 1244 1 7 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.181 -0.463 25874 1245 1 7 . 1 1 49 49 LYS H H 49 8.725 8.725 8.399 0.326 25874 1246 1 7 . 1 1 50 50 GLY N N 50 105.682 105.682 107.545 -1.863 25874 1247 1 7 . 1 1 50 50 GLY H H 50 8.455 8.455 8.163 0.292 25874 1248 1 7 . 1 1 51 51 CYS N N 51 110.903 110.903 117.328 -6.425 25874 1249 1 7 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.324 1.269 25874 1250 1 7 . 1 1 51 51 CYS H H 51 6.640 6.640 7.540 -0.900 25874 1251 1 7 . 1 1 52 52 LYS N N 52 120.482 120.482 120.337 0.145 25874 1252 1 7 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.218 -1.710 25874 1253 1 7 . 1 1 52 52 LYS H H 52 7.906 7.906 7.649 0.257 25874 1254 1 7 . 1 1 53 53 GLY N N 53 102.630 102.630 108.113 -5.483 25874 1255 1 7 . 1 1 53 53 GLY H H 53 8.549 8.549 8.019 0.530 25874 1256 1 7 . 1 1 54 54 CYS N N 54 120.890 120.890 119.067 1.823 25874 1257 1 7 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.719 -0.320 25874 1258 1 7 . 1 1 54 54 CYS H H 54 6.584 6.584 8.109 -1.525 25874 1259 1 7 . 1 1 55 55 HIS N N 55 117.794 117.794 119.562 -1.768 25874 1260 1 7 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.829 -1.119 25874 1261 1 7 . 1 1 55 55 HIS H H 55 5.404 5.404 7.633 -2.229 25874 1262 1 7 . 1 1 56 56 GLU N N 56 116.823 116.823 120.353 -3.530 25874 1263 1 7 . 1 1 56 56 GLU HA H 56 3.629 3.629 3.967 -0.338 25874 1264 1 7 . 1 1 56 56 GLU H H 56 7.969 7.969 8.646 -0.677 25874 1265 1 7 . 1 1 57 57 GLU N N 57 120.523 120.523 118.148 2.375 25874 1266 1 7 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.115 -0.094 25874 1267 1 7 . 1 1 57 57 GLU H H 57 7.485 7.485 7.861 -0.376 25874 1268 1 7 . 1 1 58 58 MET N N 58 115.336 115.336 115.297 0.039 25874 1269 1 7 . 1 1 58 58 MET HA H 58 4.352 4.352 4.575 -0.223 25874 1270 1 7 . 1 1 58 58 MET H H 58 8.866 8.866 7.743 1.123 25874 1271 1 7 . 1 1 59 59 LYS N N 59 114.369 114.369 117.789 -3.420 25874 1272 1 7 . 1 1 59 59 LYS HA H 59 3.713 3.713 3.995 -0.282 25874 1273 1 7 . 1 1 59 59 LYS H H 59 7.691 7.691 7.887 -0.196 25874 1274 1 7 . 1 1 60 60 LYS N N 60 118.488 118.488 119.305 -0.817 25874 1275 1 7 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.478 -0.199 25874 1276 1 7 . 1 1 60 60 LYS H H 60 7.566 7.566 7.650 -0.084 25874 1277 1 7 . 1 1 61 61 GLY N N 61 103.494 103.494 110.637 -7.143 25874 1278 1 7 . 1 1 61 61 GLY H H 61 7.514 7.514 8.317 -0.803 25874 1279 1 7 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.570 -0.643 25874 1280 1 7 . 1 1 63 63 THR N N 63 109.032 109.032 115.366 -6.334 25874 1281 1 7 . 1 1 63 63 THR HA H 63 4.403 4.403 4.493 -0.090 25874 1282 1 7 . 1 1 63 63 THR H H 63 8.271 8.271 8.143 0.128 25874 1283 1 7 . 1 1 64 64 LYS N N 64 124.136 124.136 122.335 1.801 25874 1284 1 7 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.705 0.411 25874 1285 1 7 . 1 1 64 64 LYS H H 64 8.437 8.437 7.950 0.487 25874 1286 1 7 . 1 1 65 65 CYS N N 65 118.006 118.006 116.990 1.016 25874 1287 1 7 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.660 0.109 25874 1288 1 7 . 1 1 65 65 CYS H H 65 8.731 8.731 8.716 0.015 25874 1289 1 7 . 1 1 66 66 GLY N N 66 101.862 101.862 107.382 -5.520 25874 1290 1 7 . 1 1 66 66 GLY H H 66 8.809 8.809 8.266 0.543 25874 1291 1 7 . 1 1 67 67 GLU N N 67 116.476 116.476 119.104 -2.628 25874 1292 1 7 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.539 -0.378 25874 1293 1 7 . 1 1 67 67 GLU H H 67 7.694 7.694 7.571 0.123 25874 1294 1 7 . 1 1 68 68 CYS N N 68 114.694 114.694 117.537 -2.843 25874 1295 1 7 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.424 0.279 25874 1296 1 7 . 1 1 68 68 CYS H H 68 6.422 6.422 7.520 -1.098 25874 1297 1 7 . 1 1 69 69 HIS N N 69 117.752 117.752 118.941 -1.189 25874 1298 1 7 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.961 -2.221 25874 1299 1 7 . 1 1 69 69 HIS H H 69 6.901 6.901 7.911 -1.010 25874 1300 1 7 . 1 1 70 70 LYS N N 70 123.740 123.740 121.914 1.826 25874 1301 1 7 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.479 -0.239 25874 1302 1 7 . 1 1 70 70 LYS H H 70 7.214 7.214 7.809 -0.595 25874 1303 1 8 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.529 0.239 25874 1304 1 8 . 1 1 3 3 ASP N N 3 116.646 116.646 118.358 -1.712 25874 1305 1 8 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.467 0.103 25874 1306 1 8 . 1 1 3 3 ASP H H 3 7.252 7.252 7.977 -0.725 25874 1307 1 8 . 1 1 4 4 ILE N N 4 122.597 122.597 119.617 2.980 25874 1308 1 8 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.155 -0.381 25874 1309 1 8 . 1 1 4 4 ILE H H 4 8.202 8.202 7.979 0.223 25874 1310 1 8 . 1 1 5 5 VAL N N 5 127.035 127.035 124.746 2.289 25874 1311 1 8 . 1 1 5 5 VAL H H 5 8.390 8.390 8.218 0.172 25874 1312 1 8 . 1 1 6 6 PHE N N 6 129.504 129.504 125.783 3.721 25874 1313 1 8 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.716 0.363 25874 1314 1 8 . 1 1 6 6 PHE H H 6 9.545 9.545 8.308 1.237 25874 1315 1 8 . 1 1 7 7 LYS N N 7 125.467 125.467 125.575 -0.108 25874 1316 1 8 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.383 0.074 25874 1317 1 8 . 1 1 7 7 LYS H H 7 8.850 8.850 8.770 0.080 25874 1318 1 8 . 1 1 8 8 ALA N N 8 124.878 124.878 127.756 -2.878 25874 1319 1 8 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.660 0.181 25874 1320 1 8 . 1 1 8 8 ALA H H 8 8.255 8.255 8.265 -0.010 25874 1321 1 8 . 1 1 9 9 LYS N N 9 125.448 125.448 121.361 4.087 25874 1322 1 8 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.282 -0.309 25874 1323 1 8 . 1 1 9 9 LYS H H 9 10.288 10.288 8.655 1.633 25874 1324 1 8 . 1 1 10 10 ASN N N 10 113.783 113.783 116.589 -2.806 25874 1325 1 8 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.846 -0.593 25874 1326 1 8 . 1 1 10 10 ASN H H 10 8.773 8.773 8.030 0.743 25874 1327 1 8 . 1 1 11 11 GLY N N 11 110.396 110.396 107.557 2.839 25874 1328 1 8 . 1 1 11 11 GLY H H 11 6.968 6.968 7.423 -0.455 25874 1329 1 8 . 1 1 12 12 ASP N N 12 129.103 129.103 122.995 6.108 25874 1330 1 8 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.734 -0.329 25874 1331 1 8 . 1 1 12 12 ASP H H 12 7.962 7.962 8.371 -0.409 25874 1332 1 8 . 1 1 13 13 VAL N N 13 121.052 121.052 124.762 -3.710 25874 1333 1 8 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.504 -0.230 25874 1334 1 8 . 1 1 13 13 VAL H H 13 8.620 8.620 8.125 0.495 25874 1335 1 8 . 1 1 14 14 LYS N N 14 129.063 129.063 128.569 0.494 25874 1336 1 8 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.619 -0.011 25874 1337 1 8 . 1 1 14 14 LYS H H 14 9.012 9.012 8.524 0.488 25874 1338 1 8 . 1 1 15 15 PHE N N 15 127.819 127.819 124.574 3.245 25874 1339 1 8 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.084 0.597 25874 1340 1 8 . 1 1 15 15 PHE H H 15 9.449 9.449 8.686 0.763 25874 1341 1 8 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.665 -0.095 25874 1342 1 8 . 1 1 17 17 HIS N N 17 132.614 132.614 126.122 6.492 25874 1343 1 8 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.818 -3.001 25874 1344 1 8 . 1 1 17 17 HIS H H 17 6.540 6.540 8.197 -1.657 25874 1345 1 8 . 1 1 18 18 LYS N N 18 118.133 118.133 119.662 -1.529 25874 1346 1 8 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.974 -1.399 25874 1347 1 8 . 1 1 18 18 LYS H H 18 7.325 7.325 8.345 -1.020 25874 1348 1 8 . 1 1 19 19 ALA N N 19 120.621 120.621 119.926 0.695 25874 1349 1 8 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.150 -0.754 25874 1350 1 8 . 1 1 19 19 ALA H H 19 7.014 7.014 7.910 -0.896 25874 1351 1 8 . 1 1 20 20 HIS N N 20 116.674 116.674 117.801 -1.127 25874 1352 1 8 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.331 -1.839 25874 1353 1 8 . 1 1 20 20 HIS H H 20 6.376 6.376 8.452 -2.076 25874 1354 1 8 . 1 1 21 21 GLN N N 21 117.448 117.448 117.394 0.054 25874 1355 1 8 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.194 -0.130 25874 1356 1 8 . 1 1 21 21 GLN H H 21 6.796 6.796 7.908 -1.112 25874 1357 1 8 . 1 1 22 22 LYS N N 22 115.279 115.279 118.038 -2.759 25874 1358 1 8 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.322 -0.306 25874 1359 1 8 . 1 1 22 22 LYS H H 22 6.578 6.578 8.043 -1.465 25874 1360 1 8 . 1 1 23 23 ALA N N 23 120.362 120.362 122.237 -1.875 25874 1361 1 8 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.354 -0.160 25874 1362 1 8 . 1 1 23 23 ALA H H 23 6.963 6.963 7.537 -0.574 25874 1363 1 8 . 1 1 24 24 VAL N N 24 120.608 120.608 119.849 0.759 25874 1364 1 8 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.448 0.149 25874 1365 1 8 . 1 1 24 24 VAL H H 24 8.369 8.369 7.747 0.622 25874 1366 1 8 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.306 0.468 25874 1367 1 8 . 1 1 26 26 ASP N N 26 117.853 117.853 118.257 -0.404 25874 1368 1 8 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.585 0.493 25874 1369 1 8 . 1 1 26 26 ASP H H 26 7.828 7.828 8.078 -0.250 25874 1370 1 8 . 1 1 27 27 CYS N N 27 123.776 123.776 124.968 -1.192 25874 1371 1 8 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.504 0.460 25874 1372 1 8 . 1 1 27 27 CYS H H 27 8.544 8.544 8.723 -0.179 25874 1373 1 8 . 1 1 28 28 LYS N N 28 114.260 114.260 121.209 -6.949 25874 1374 1 8 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.273 -0.776 25874 1375 1 8 . 1 1 28 28 LYS H H 28 8.062 8.062 8.101 -0.039 25874 1376 1 8 . 1 1 29 29 LYS N N 29 118.718 118.718 116.541 2.177 25874 1377 1 8 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.160 -0.127 25874 1378 1 8 . 1 1 29 29 LYS H H 29 7.751 7.751 7.906 -0.155 25874 1379 1 8 . 1 1 30 30 CYS N N 30 111.794 111.794 113.705 -1.911 25874 1380 1 8 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.507 0.133 25874 1381 1 8 . 1 1 30 30 CYS H H 30 6.273 6.273 8.460 -2.187 25874 1382 1 8 . 1 1 31 31 HIS N N 31 118.519 118.519 121.149 -2.630 25874 1383 1 8 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.897 -1.832 25874 1384 1 8 . 1 1 31 31 HIS H H 31 7.120 7.120 8.744 -1.624 25874 1385 1 8 . 1 1 32 32 GLU N N 32 125.364 125.364 122.821 2.543 25874 1386 1 8 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.198 -0.502 25874 1387 1 8 . 1 1 32 32 GLU H H 32 7.986 7.986 8.065 -0.079 25874 1388 1 8 . 1 1 33 33 LYS N N 33 115.015 115.015 118.637 -3.622 25874 1389 1 8 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.410 -0.197 25874 1390 1 8 . 1 1 33 33 LYS H H 33 8.183 8.183 7.922 0.261 25874 1391 1 8 . 1 1 34 34 GLY N N 34 107.428 107.428 109.310 -1.882 25874 1392 1 8 . 1 1 34 34 GLY H H 34 6.624 6.624 7.562 -0.938 25874 1393 1 8 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.360 -2.724 25874 1394 1 8 . 1 1 36 36 GLY N N 36 109.389 109.389 107.253 2.136 25874 1395 1 8 . 1 1 36 36 GLY H H 36 3.873 3.873 7.534 -3.661 25874 1396 1 8 . 1 1 37 37 LYS N N 37 116.850 116.850 120.597 -3.747 25874 1397 1 8 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.445 -0.286 25874 1398 1 8 . 1 1 37 37 LYS H H 37 7.981 7.981 8.320 -0.339 25874 1399 1 8 . 1 1 38 38 ILE N N 38 128.778 128.778 122.906 5.872 25874 1400 1 8 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.344 -0.620 25874 1401 1 8 . 1 1 38 38 ILE H H 38 10.493 10.493 8.505 1.988 25874 1402 1 8 . 1 1 39 39 GLU N N 39 130.536 130.536 128.868 1.668 25874 1403 1 8 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.274 -0.256 25874 1404 1 8 . 1 1 39 39 GLU H H 39 8.595 8.595 9.077 -0.482 25874 1405 1 8 . 1 1 40 40 GLY N N 40 113.068 113.068 112.262 0.806 25874 1406 1 8 . 1 1 40 40 GLY H H 40 9.115 9.115 8.343 0.772 25874 1407 1 8 . 1 1 41 41 PHE N N 41 121.942 121.942 121.952 -0.010 25874 1408 1 8 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.199 0.101 25874 1409 1 8 . 1 1 41 41 PHE H H 41 8.010 8.010 7.879 0.131 25874 1410 1 8 . 1 1 42 42 GLY N N 42 114.942 114.942 109.447 5.495 25874 1411 1 8 . 1 1 42 42 GLY H H 42 5.768 5.768 6.519 -0.751 25874 1412 1 8 . 1 1 43 43 LYS N N 43 122.844 122.844 119.141 3.703 25874 1413 1 8 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.988 -0.686 25874 1414 1 8 . 1 1 43 43 LYS H H 43 8.884 8.884 8.365 0.519 25874 1415 1 8 . 1 1 44 44 GLU N N 44 115.043 115.043 119.826 -4.783 25874 1416 1 8 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.814 -0.770 25874 1417 1 8 . 1 1 44 44 GLU H H 44 7.923 7.923 7.965 -0.043 25874 1418 1 8 . 1 1 45 45 MET N N 45 118.080 118.080 118.372 -0.292 25874 1419 1 8 . 1 1 45 45 MET HA H 45 3.848 3.848 4.110 -0.262 25874 1420 1 8 . 1 1 45 45 MET H H 45 7.559 7.559 7.561 -0.002 25874 1421 1 8 . 1 1 46 46 ALA N N 46 122.871 122.871 120.183 2.688 25874 1422 1 8 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.652 0.308 25874 1423 1 8 . 1 1 46 46 ALA H H 46 7.907 7.907 7.335 0.572 25874 1424 1 8 . 1 1 47 47 HIS N N 47 113.174 113.174 115.839 -2.665 25874 1425 1 8 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.457 -1.740 25874 1426 1 8 . 1 1 47 47 HIS H H 47 6.721 6.721 8.169 -1.448 25874 1427 1 8 . 1 1 48 48 GLY N N 48 109.910 109.910 107.895 2.015 25874 1428 1 8 . 1 1 48 48 GLY H H 48 6.697 6.697 8.236 -1.539 25874 1429 1 8 . 1 1 49 49 LYS N N 49 125.155 125.155 121.433 3.722 25874 1430 1 8 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.184 -0.466 25874 1431 1 8 . 1 1 49 49 LYS H H 49 8.725 8.725 8.371 0.354 25874 1432 1 8 . 1 1 50 50 GLY N N 50 105.682 105.682 107.912 -2.230 25874 1433 1 8 . 1 1 50 50 GLY H H 50 8.455 8.455 8.034 0.421 25874 1434 1 8 . 1 1 51 51 CYS N N 51 110.903 110.903 117.470 -6.567 25874 1435 1 8 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.261 1.332 25874 1436 1 8 . 1 1 51 51 CYS H H 51 6.640 6.640 7.506 -0.867 25874 1437 1 8 . 1 1 52 52 LYS N N 52 120.482 120.482 120.562 -0.080 25874 1438 1 8 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.158 -1.650 25874 1439 1 8 . 1 1 52 52 LYS H H 52 7.906 7.906 7.534 0.372 25874 1440 1 8 . 1 1 53 53 GLY N N 53 102.630 102.630 107.954 -5.324 25874 1441 1 8 . 1 1 53 53 GLY H H 53 8.549 8.549 8.009 0.540 25874 1442 1 8 . 1 1 54 54 CYS N N 54 120.890 120.890 118.879 2.011 25874 1443 1 8 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.522 -0.123 25874 1444 1 8 . 1 1 54 54 CYS H H 54 6.584 6.584 8.086 -1.502 25874 1445 1 8 . 1 1 55 55 HIS N N 55 117.794 117.794 119.634 -1.840 25874 1446 1 8 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.812 -1.102 25874 1447 1 8 . 1 1 55 55 HIS H H 55 5.404 5.404 7.604 -2.200 25874 1448 1 8 . 1 1 56 56 GLU N N 56 116.823 116.823 120.548 -3.725 25874 1449 1 8 . 1 1 56 56 GLU HA H 56 3.629 3.629 3.905 -0.276 25874 1450 1 8 . 1 1 56 56 GLU H H 56 7.969 7.969 8.496 -0.527 25874 1451 1 8 . 1 1 57 57 GLU N N 57 120.523 120.523 117.632 2.891 25874 1452 1 8 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.081 -0.060 25874 1453 1 8 . 1 1 57 57 GLU H H 57 7.485 7.485 7.716 -0.231 25874 1454 1 8 . 1 1 58 58 MET N N 58 115.336 115.336 115.296 0.040 25874 1455 1 8 . 1 1 58 58 MET HA H 58 4.352 4.352 4.535 -0.183 25874 1456 1 8 . 1 1 58 58 MET H H 58 8.866 8.866 7.648 1.218 25874 1457 1 8 . 1 1 59 59 LYS N N 59 114.369 114.369 118.333 -3.964 25874 1458 1 8 . 1 1 59 59 LYS HA H 59 3.713 3.713 3.998 -0.285 25874 1459 1 8 . 1 1 59 59 LYS H H 59 7.691 7.691 8.147 -0.456 25874 1460 1 8 . 1 1 60 60 LYS N N 60 118.488 118.488 119.546 -1.058 25874 1461 1 8 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.527 -0.248 25874 1462 1 8 . 1 1 60 60 LYS H H 60 7.566 7.566 7.783 -0.217 25874 1463 1 8 . 1 1 61 61 GLY N N 61 103.494 103.494 109.869 -6.375 25874 1464 1 8 . 1 1 61 61 GLY H H 61 7.514 7.514 8.244 -0.730 25874 1465 1 8 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.500 -0.573 25874 1466 1 8 . 1 1 63 63 THR N N 63 109.032 109.032 114.485 -5.453 25874 1467 1 8 . 1 1 63 63 THR HA H 63 4.403 4.403 4.391 0.012 25874 1468 1 8 . 1 1 63 63 THR H H 63 8.271 8.271 8.144 0.127 25874 1469 1 8 . 1 1 64 64 LYS N N 64 124.136 124.136 121.668 2.468 25874 1470 1 8 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.677 0.439 25874 1471 1 8 . 1 1 64 64 LYS H H 64 8.437 8.437 7.518 0.919 25874 1472 1 8 . 1 1 65 65 CYS N N 65 118.006 118.006 117.237 0.769 25874 1473 1 8 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.619 0.150 25874 1474 1 8 . 1 1 65 65 CYS H H 65 8.731 8.731 8.642 0.089 25874 1475 1 8 . 1 1 66 66 GLY N N 66 101.862 101.862 107.746 -5.884 25874 1476 1 8 . 1 1 66 66 GLY H H 66 8.809 8.809 8.371 0.438 25874 1477 1 8 . 1 1 67 67 GLU N N 67 116.476 116.476 120.332 -3.856 25874 1478 1 8 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.490 -0.329 25874 1479 1 8 . 1 1 67 67 GLU H H 67 7.694 7.694 7.685 0.009 25874 1480 1 8 . 1 1 68 68 CYS N N 68 114.694 114.694 117.366 -2.672 25874 1481 1 8 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.358 0.345 25874 1482 1 8 . 1 1 68 68 CYS H H 68 6.422 6.422 7.496 -1.074 25874 1483 1 8 . 1 1 69 69 HIS N N 69 117.752 117.752 118.608 -0.856 25874 1484 1 8 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.938 -2.198 25874 1485 1 8 . 1 1 69 69 HIS H H 69 6.901 6.901 7.842 -0.941 25874 1486 1 8 . 1 1 70 70 LYS N N 70 123.740 123.740 122.098 1.642 25874 1487 1 8 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.446 -0.206 25874 1488 1 8 . 1 1 70 70 LYS H H 70 7.214 7.214 7.779 -0.565 25874 1489 1 9 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.513 0.255 25874 1490 1 9 . 1 1 3 3 ASP N N 3 116.646 116.646 118.076 -1.430 25874 1491 1 9 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.479 0.091 25874 1492 1 9 . 1 1 3 3 ASP H H 3 7.252 7.252 7.971 -0.719 25874 1493 1 9 . 1 1 4 4 ILE N N 4 122.597 122.597 119.146 3.451 25874 1494 1 9 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.150 -0.376 25874 1495 1 9 . 1 1 4 4 ILE H H 4 8.202 8.202 8.109 0.093 25874 1496 1 9 . 1 1 5 5 VAL N N 5 127.035 127.035 124.171 2.864 25874 1497 1 9 . 1 1 5 5 VAL H H 5 8.390 8.390 8.168 0.222 25874 1498 1 9 . 1 1 6 6 PHE N N 6 129.504 129.504 125.830 3.674 25874 1499 1 9 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.769 0.310 25874 1500 1 9 . 1 1 6 6 PHE H H 6 9.545 9.545 8.406 1.139 25874 1501 1 9 . 1 1 7 7 LYS N N 7 125.467 125.467 124.481 0.986 25874 1502 1 9 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.320 0.137 25874 1503 1 9 . 1 1 7 7 LYS H H 7 8.850 8.850 8.819 0.031 25874 1504 1 9 . 1 1 8 8 ALA N N 8 124.878 124.878 128.596 -3.718 25874 1505 1 9 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.695 0.146 25874 1506 1 9 . 1 1 8 8 ALA H H 8 8.255 8.255 8.212 0.043 25874 1507 1 9 . 1 1 9 9 LYS N N 9 125.448 125.448 122.031 3.417 25874 1508 1 9 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.277 -0.304 25874 1509 1 9 . 1 1 9 9 LYS H H 9 10.288 10.288 8.730 1.558 25874 1510 1 9 . 1 1 10 10 ASN N N 10 113.783 113.783 116.454 -2.671 25874 1511 1 9 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.854 -0.601 25874 1512 1 9 . 1 1 10 10 ASN H H 10 8.773 8.773 7.997 0.776 25874 1513 1 9 . 1 1 11 11 GLY N N 11 110.396 110.396 107.667 2.729 25874 1514 1 9 . 1 1 11 11 GLY H H 11 6.968 6.968 7.413 -0.445 25874 1515 1 9 . 1 1 12 12 ASP N N 12 129.103 129.103 123.178 5.925 25874 1516 1 9 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.736 -0.331 25874 1517 1 9 . 1 1 12 12 ASP H H 12 7.962 7.962 8.376 -0.414 25874 1518 1 9 . 1 1 13 13 VAL N N 13 121.052 121.052 126.169 -5.117 25874 1519 1 9 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.442 -0.168 25874 1520 1 9 . 1 1 13 13 VAL H H 13 8.620 8.620 8.012 0.608 25874 1521 1 9 . 1 1 14 14 LYS N N 14 129.063 129.063 127.913 1.150 25874 1522 1 9 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.630 -0.022 25874 1523 1 9 . 1 1 14 14 LYS H H 14 9.012 9.012 8.406 0.606 25874 1524 1 9 . 1 1 15 15 PHE N N 15 127.819 127.819 124.892 2.927 25874 1525 1 9 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.090 0.591 25874 1526 1 9 . 1 1 15 15 PHE H H 15 9.449 9.449 8.378 1.071 25874 1527 1 9 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.780 -0.210 25874 1528 1 9 . 1 1 17 17 HIS N N 17 132.614 132.614 126.153 6.461 25874 1529 1 9 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.789 -2.972 25874 1530 1 9 . 1 1 17 17 HIS H H 17 6.540 6.540 8.118 -1.578 25874 1531 1 9 . 1 1 18 18 LYS N N 18 118.133 118.133 119.713 -1.580 25874 1532 1 9 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.974 -1.398 25874 1533 1 9 . 1 1 18 18 LYS H H 18 7.325 7.325 8.332 -1.007 25874 1534 1 9 . 1 1 19 19 ALA N N 19 120.621 120.621 119.671 0.950 25874 1535 1 9 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.138 -0.742 25874 1536 1 9 . 1 1 19 19 ALA H H 19 7.014 7.014 7.983 -0.969 25874 1537 1 9 . 1 1 20 20 HIS N N 20 116.674 116.674 116.844 -0.170 25874 1538 1 9 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.356 -1.864 25874 1539 1 9 . 1 1 20 20 HIS H H 20 6.376 6.376 8.276 -1.900 25874 1540 1 9 . 1 1 21 21 GLN N N 21 117.448 117.448 117.092 0.356 25874 1541 1 9 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.139 -0.075 25874 1542 1 9 . 1 1 21 21 GLN H H 21 6.796 6.796 7.495 -0.699 25874 1543 1 9 . 1 1 22 22 LYS N N 22 115.279 115.279 118.141 -2.862 25874 1544 1 9 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.314 -0.298 25874 1545 1 9 . 1 1 22 22 LYS H H 22 6.578 6.578 7.950 -1.372 25874 1546 1 9 . 1 1 23 23 ALA N N 23 120.362 120.362 121.957 -1.595 25874 1547 1 9 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.339 -0.145 25874 1548 1 9 . 1 1 23 23 ALA H H 23 6.963 6.963 7.505 -0.542 25874 1549 1 9 . 1 1 24 24 VAL N N 24 120.608 120.608 120.121 0.487 25874 1550 1 9 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.465 0.132 25874 1551 1 9 . 1 1 24 24 VAL H H 24 8.369 8.369 7.566 0.803 25874 1552 1 9 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.282 0.492 25874 1553 1 9 . 1 1 26 26 ASP N N 26 117.853 117.853 118.327 -0.474 25874 1554 1 9 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.578 0.500 25874 1555 1 9 . 1 1 26 26 ASP H H 26 7.828 7.828 8.088 -0.260 25874 1556 1 9 . 1 1 27 27 CYS N N 27 123.776 123.776 124.627 -0.851 25874 1557 1 9 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.505 0.459 25874 1558 1 9 . 1 1 27 27 CYS H H 27 8.544 8.544 8.688 -0.144 25874 1559 1 9 . 1 1 28 28 LYS N N 28 114.260 114.260 121.323 -7.063 25874 1560 1 9 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.205 -0.708 25874 1561 1 9 . 1 1 28 28 LYS H H 28 8.062 8.062 7.950 0.112 25874 1562 1 9 . 1 1 29 29 LYS N N 29 118.718 118.718 115.556 3.162 25874 1563 1 9 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.189 -0.156 25874 1564 1 9 . 1 1 29 29 LYS H H 29 7.751 7.751 8.009 -0.258 25874 1565 1 9 . 1 1 30 30 CYS N N 30 111.794 111.794 113.483 -1.689 25874 1566 1 9 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.493 0.147 25874 1567 1 9 . 1 1 30 30 CYS H H 30 6.273 6.273 8.399 -2.126 25874 1568 1 9 . 1 1 31 31 HIS N N 31 118.519 118.519 120.649 -2.130 25874 1569 1 9 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.923 -1.858 25874 1570 1 9 . 1 1 31 31 HIS H H 31 7.120 7.120 8.628 -1.508 25874 1571 1 9 . 1 1 32 32 GLU N N 32 125.364 125.364 121.671 3.693 25874 1572 1 9 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.104 -0.408 25874 1573 1 9 . 1 1 32 32 GLU H H 32 7.986 7.986 8.082 -0.096 25874 1574 1 9 . 1 1 33 33 LYS N N 33 115.015 115.015 118.605 -3.590 25874 1575 1 9 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.365 -0.152 25874 1576 1 9 . 1 1 33 33 LYS H H 33 8.183 8.183 7.953 0.230 25874 1577 1 9 . 1 1 34 34 GLY N N 34 107.428 107.428 109.471 -2.043 25874 1578 1 9 . 1 1 34 34 GLY H H 34 6.624 6.624 7.687 -1.063 25874 1579 1 9 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.561 -2.925 25874 1580 1 9 . 1 1 36 36 GLY N N 36 109.389 109.389 106.588 2.801 25874 1581 1 9 . 1 1 36 36 GLY H H 36 3.873 3.873 7.504 -3.631 25874 1582 1 9 . 1 1 37 37 LYS N N 37 116.850 116.850 120.618 -3.768 25874 1583 1 9 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.486 -0.327 25874 1584 1 9 . 1 1 37 37 LYS H H 37 7.981 7.981 8.317 -0.336 25874 1585 1 9 . 1 1 38 38 ILE N N 38 128.778 128.778 122.142 6.636 25874 1586 1 9 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.345 -0.621 25874 1587 1 9 . 1 1 38 38 ILE H H 38 10.493 10.493 8.543 1.950 25874 1588 1 9 . 1 1 39 39 GLU N N 39 130.536 130.536 126.944 3.592 25874 1589 1 9 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.077 -0.059 25874 1590 1 9 . 1 1 39 39 GLU H H 39 8.595 8.595 9.133 -0.538 25874 1591 1 9 . 1 1 40 40 GLY N N 40 113.068 113.068 113.589 -0.521 25874 1592 1 9 . 1 1 40 40 GLY H H 40 9.115 9.115 8.230 0.885 25874 1593 1 9 . 1 1 41 41 PHE N N 41 121.942 121.942 122.460 -0.518 25874 1594 1 9 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.239 0.061 25874 1595 1 9 . 1 1 41 41 PHE H H 41 8.010 8.010 8.164 -0.154 25874 1596 1 9 . 1 1 42 42 GLY N N 42 114.942 114.942 107.813 7.129 25874 1597 1 9 . 1 1 42 42 GLY H H 42 5.768 5.768 6.154 -0.386 25874 1598 1 9 . 1 1 43 43 LYS N N 43 122.844 122.844 118.545 4.299 25874 1599 1 9 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.860 -0.558 25874 1600 1 9 . 1 1 43 43 LYS H H 43 8.884 8.884 8.274 0.610 25874 1601 1 9 . 1 1 44 44 GLU N N 44 115.043 115.043 119.775 -4.732 25874 1602 1 9 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.813 -0.769 25874 1603 1 9 . 1 1 44 44 GLU H H 44 7.923 7.923 7.979 -0.056 25874 1604 1 9 . 1 1 45 45 MET N N 45 118.080 118.080 118.419 -0.339 25874 1605 1 9 . 1 1 45 45 MET HA H 45 3.848 3.848 4.184 -0.336 25874 1606 1 9 . 1 1 45 45 MET H H 45 7.559 7.559 7.536 0.023 25874 1607 1 9 . 1 1 46 46 ALA N N 46 122.871 122.871 119.838 3.033 25874 1608 1 9 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.720 0.240 25874 1609 1 9 . 1 1 46 46 ALA H H 46 7.907 7.907 7.604 0.303 25874 1610 1 9 . 1 1 47 47 HIS N N 47 113.174 113.174 115.934 -2.760 25874 1611 1 9 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.463 -1.746 25874 1612 1 9 . 1 1 47 47 HIS H H 47 6.721 6.721 7.946 -1.225 25874 1613 1 9 . 1 1 48 48 GLY N N 48 109.910 109.910 107.704 2.206 25874 1614 1 9 . 1 1 48 48 GLY H H 48 6.697 6.697 8.014 -1.317 25874 1615 1 9 . 1 1 49 49 LYS N N 49 125.155 125.155 121.627 3.528 25874 1616 1 9 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.188 -0.470 25874 1617 1 9 . 1 1 49 49 LYS H H 49 8.725 8.725 8.396 0.329 25874 1618 1 9 . 1 1 50 50 GLY N N 50 105.682 105.682 107.833 -2.151 25874 1619 1 9 . 1 1 50 50 GLY H H 50 8.455 8.455 8.174 0.281 25874 1620 1 9 . 1 1 51 51 CYS N N 51 110.903 110.903 117.637 -6.734 25874 1621 1 9 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.337 1.256 25874 1622 1 9 . 1 1 51 51 CYS H H 51 6.640 6.640 7.547 -0.907 25874 1623 1 9 . 1 1 52 52 LYS N N 52 120.482 120.482 121.005 -0.523 25874 1624 1 9 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.114 -1.606 25874 1625 1 9 . 1 1 52 52 LYS H H 52 7.906 7.906 7.540 0.366 25874 1626 1 9 . 1 1 53 53 GLY N N 53 102.630 102.630 107.315 -4.685 25874 1627 1 9 . 1 1 53 53 GLY H H 53 8.549 8.549 8.012 0.537 25874 1628 1 9 . 1 1 54 54 CYS N N 54 120.890 120.890 118.489 2.401 25874 1629 1 9 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.738 -0.339 25874 1630 1 9 . 1 1 54 54 CYS H H 54 6.584 6.584 7.705 -1.121 25874 1631 1 9 . 1 1 55 55 HIS N N 55 117.794 117.794 119.776 -1.982 25874 1632 1 9 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.820 -1.110 25874 1633 1 9 . 1 1 55 55 HIS H H 55 5.404 5.404 7.798 -2.394 25874 1634 1 9 . 1 1 56 56 GLU N N 56 116.823 116.823 120.457 -3.634 25874 1635 1 9 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.026 -0.397 25874 1636 1 9 . 1 1 56 56 GLU H H 56 7.969 7.969 8.632 -0.663 25874 1637 1 9 . 1 1 57 57 GLU N N 57 120.523 120.523 117.751 2.772 25874 1638 1 9 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.049 -0.028 25874 1639 1 9 . 1 1 57 57 GLU H H 57 7.485 7.485 7.906 -0.421 25874 1640 1 9 . 1 1 58 58 MET N N 58 115.336 115.336 115.258 0.078 25874 1641 1 9 . 1 1 58 58 MET HA H 58 4.352 4.352 4.475 -0.123 25874 1642 1 9 . 1 1 58 58 MET H H 58 8.866 8.866 7.625 1.241 25874 1643 1 9 . 1 1 59 59 LYS N N 59 114.369 114.369 118.065 -3.696 25874 1644 1 9 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.004 -0.291 25874 1645 1 9 . 1 1 59 59 LYS H H 59 7.691 7.691 8.227 -0.536 25874 1646 1 9 . 1 1 60 60 LYS N N 60 118.488 118.488 119.418 -0.930 25874 1647 1 9 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.536 -0.257 25874 1648 1 9 . 1 1 60 60 LYS H H 60 7.566 7.566 7.753 -0.187 25874 1649 1 9 . 1 1 61 61 GLY N N 61 103.494 103.494 110.331 -6.837 25874 1650 1 9 . 1 1 61 61 GLY H H 61 7.514 7.514 8.291 -0.777 25874 1651 1 9 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.548 -0.621 25874 1652 1 9 . 1 1 63 63 THR N N 63 109.032 109.032 114.654 -5.622 25874 1653 1 9 . 1 1 63 63 THR HA H 63 4.403 4.403 4.389 0.014 25874 1654 1 9 . 1 1 63 63 THR H H 63 8.271 8.271 8.226 0.045 25874 1655 1 9 . 1 1 64 64 LYS N N 64 124.136 124.136 122.853 1.283 25874 1656 1 9 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.661 0.455 25874 1657 1 9 . 1 1 64 64 LYS H H 64 8.437 8.437 7.611 0.826 25874 1658 1 9 . 1 1 65 65 CYS N N 65 118.006 118.006 117.350 0.656 25874 1659 1 9 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.596 0.173 25874 1660 1 9 . 1 1 65 65 CYS H H 65 8.731 8.731 8.645 0.086 25874 1661 1 9 . 1 1 66 66 GLY N N 66 101.862 101.862 107.952 -6.090 25874 1662 1 9 . 1 1 66 66 GLY H H 66 8.809 8.809 8.428 0.381 25874 1663 1 9 . 1 1 67 67 GLU N N 67 116.476 116.476 120.295 -3.819 25874 1664 1 9 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.452 -0.291 25874 1665 1 9 . 1 1 67 67 GLU H H 67 7.694 7.694 7.674 0.020 25874 1666 1 9 . 1 1 68 68 CYS N N 68 114.694 114.694 116.790 -2.096 25874 1667 1 9 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.372 0.331 25874 1668 1 9 . 1 1 68 68 CYS H H 68 6.422 6.422 7.495 -1.073 25874 1669 1 9 . 1 1 69 69 HIS N N 69 117.752 117.752 119.510 -1.758 25874 1670 1 9 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.870 -2.130 25874 1671 1 9 . 1 1 69 69 HIS H H 69 6.901 6.901 7.856 -0.955 25874 1672 1 9 . 1 1 70 70 LYS N N 70 123.740 123.740 121.710 2.030 25874 1673 1 9 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.431 -0.191 25874 1674 1 9 . 1 1 70 70 LYS H H 70 7.214 7.214 7.699 -0.485 25874 1675 1 10 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.356 0.412 25874 1676 1 10 . 1 1 3 3 ASP N N 3 116.646 116.646 117.630 -0.984 25874 1677 1 10 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.489 0.081 25874 1678 1 10 . 1 1 3 3 ASP H H 3 7.252 7.252 7.902 -0.650 25874 1679 1 10 . 1 1 4 4 ILE N N 4 122.597 122.597 119.168 3.429 25874 1680 1 10 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.138 -0.364 25874 1681 1 10 . 1 1 4 4 ILE H H 4 8.202 8.202 8.072 0.130 25874 1682 1 10 . 1 1 5 5 VAL N N 5 127.035 127.035 124.012 3.023 25874 1683 1 10 . 1 1 5 5 VAL H H 5 8.390 8.390 8.229 0.161 25874 1684 1 10 . 1 1 6 6 PHE N N 6 129.504 129.504 126.139 3.365 25874 1685 1 10 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.710 0.369 25874 1686 1 10 . 1 1 6 6 PHE H H 6 9.545 9.545 8.292 1.253 25874 1687 1 10 . 1 1 7 7 LYS N N 7 125.467 125.467 125.099 0.368 25874 1688 1 10 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.311 0.146 25874 1689 1 10 . 1 1 7 7 LYS H H 7 8.850 8.850 8.789 0.061 25874 1690 1 10 . 1 1 8 8 ALA N N 8 124.878 124.878 127.806 -2.928 25874 1691 1 10 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.612 0.229 25874 1692 1 10 . 1 1 8 8 ALA H H 8 8.255 8.255 8.183 0.072 25874 1693 1 10 . 1 1 9 9 LYS N N 9 125.448 125.448 121.619 3.829 25874 1694 1 10 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.288 -0.315 25874 1695 1 10 . 1 1 9 9 LYS H H 9 10.288 10.288 8.714 1.574 25874 1696 1 10 . 1 1 10 10 ASN N N 10 113.783 113.783 116.650 -2.867 25874 1697 1 10 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.839 -0.586 25874 1698 1 10 . 1 1 10 10 ASN H H 10 8.773 8.773 7.962 0.811 25874 1699 1 10 . 1 1 11 11 GLY N N 11 110.396 110.396 107.643 2.753 25874 1700 1 10 . 1 1 11 11 GLY H H 11 6.968 6.968 7.395 -0.427 25874 1701 1 10 . 1 1 12 12 ASP N N 12 129.103 129.103 123.141 5.962 25874 1702 1 10 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.701 -0.296 25874 1703 1 10 . 1 1 12 12 ASP H H 12 7.962 7.962 8.381 -0.419 25874 1704 1 10 . 1 1 13 13 VAL N N 13 121.052 121.052 126.312 -5.260 25874 1705 1 10 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.414 -0.140 25874 1706 1 10 . 1 1 13 13 VAL H H 13 8.620 8.620 8.127 0.493 25874 1707 1 10 . 1 1 14 14 LYS N N 14 129.063 129.063 128.133 0.930 25874 1708 1 10 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.666 -0.058 25874 1709 1 10 . 1 1 14 14 LYS H H 14 9.012 9.012 8.411 0.601 25874 1710 1 10 . 1 1 15 15 PHE N N 15 127.819 127.819 124.648 3.171 25874 1711 1 10 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.091 0.590 25874 1712 1 10 . 1 1 15 15 PHE H H 15 9.449 9.449 8.608 0.841 25874 1713 1 10 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.714 -0.144 25874 1714 1 10 . 1 1 17 17 HIS N N 17 132.614 132.614 125.867 6.747 25874 1715 1 10 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.809 -2.992 25874 1716 1 10 . 1 1 17 17 HIS H H 17 6.540 6.540 8.159 -1.619 25874 1717 1 10 . 1 1 18 18 LYS N N 18 118.133 118.133 119.669 -1.536 25874 1718 1 10 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.964 -1.388 25874 1719 1 10 . 1 1 18 18 LYS H H 18 7.325 7.325 8.303 -0.978 25874 1720 1 10 . 1 1 19 19 ALA N N 19 120.621 120.621 119.539 1.082 25874 1721 1 10 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.128 -0.732 25874 1722 1 10 . 1 1 19 19 ALA H H 19 7.014 7.014 7.961 -0.947 25874 1723 1 10 . 1 1 20 20 HIS N N 20 116.674 116.674 116.622 0.052 25874 1724 1 10 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.365 -1.873 25874 1725 1 10 . 1 1 20 20 HIS H H 20 6.376 6.376 8.172 -1.796 25874 1726 1 10 . 1 1 21 21 GLN N N 21 117.448 117.448 116.981 0.467 25874 1727 1 10 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.186 -0.122 25874 1728 1 10 . 1 1 21 21 GLN H H 21 6.796 6.796 7.477 -0.681 25874 1729 1 10 . 1 1 22 22 LYS N N 22 115.279 115.279 118.265 -2.986 25874 1730 1 10 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.323 -0.307 25874 1731 1 10 . 1 1 22 22 LYS H H 22 6.578 6.578 7.996 -1.418 25874 1732 1 10 . 1 1 23 23 ALA N N 23 120.362 120.362 122.328 -1.966 25874 1733 1 10 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.350 -0.156 25874 1734 1 10 . 1 1 23 23 ALA H H 23 6.963 6.963 7.534 -0.571 25874 1735 1 10 . 1 1 24 24 VAL N N 24 120.608 120.608 119.826 0.782 25874 1736 1 10 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.536 0.061 25874 1737 1 10 . 1 1 24 24 VAL H H 24 8.369 8.369 7.542 0.827 25874 1738 1 10 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.293 0.481 25874 1739 1 10 . 1 1 26 26 ASP N N 26 117.853 117.853 119.477 -1.624 25874 1740 1 10 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.548 0.530 25874 1741 1 10 . 1 1 26 26 ASP H H 26 7.828 7.828 8.434 -0.606 25874 1742 1 10 . 1 1 27 27 CYS N N 27 123.776 123.776 125.849 -2.073 25874 1743 1 10 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.560 0.404 25874 1744 1 10 . 1 1 27 27 CYS H H 27 8.544 8.544 8.646 -0.102 25874 1745 1 10 . 1 1 28 28 LYS N N 28 114.260 114.260 121.582 -7.322 25874 1746 1 10 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.261 -0.764 25874 1747 1 10 . 1 1 28 28 LYS H H 28 8.062 8.062 8.659 -0.597 25874 1748 1 10 . 1 1 29 29 LYS N N 29 118.718 118.718 117.586 1.132 25874 1749 1 10 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.158 -0.125 25874 1750 1 10 . 1 1 29 29 LYS H H 29 7.751 7.751 8.017 -0.266 25874 1751 1 10 . 1 1 30 30 CYS N N 30 111.794 111.794 113.470 -1.676 25874 1752 1 10 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.512 0.128 25874 1753 1 10 . 1 1 30 30 CYS H H 30 6.273 6.273 8.425 -2.152 25874 1754 1 10 . 1 1 31 31 HIS N N 31 118.519 118.519 121.099 -2.580 25874 1755 1 10 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.879 -1.814 25874 1756 1 10 . 1 1 31 31 HIS H H 31 7.120 7.120 8.716 -1.596 25874 1757 1 10 . 1 1 32 32 GLU N N 32 125.364 125.364 124.005 1.359 25874 1758 1 10 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.265 -0.569 25874 1759 1 10 . 1 1 32 32 GLU H H 32 7.986 7.986 8.317 -0.331 25874 1760 1 10 . 1 1 33 33 LYS N N 33 115.015 115.015 119.920 -4.905 25874 1761 1 10 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.403 -0.190 25874 1762 1 10 . 1 1 33 33 LYS H H 33 8.183 8.183 8.014 0.169 25874 1763 1 10 . 1 1 34 34 GLY N N 34 107.428 107.428 109.262 -1.834 25874 1764 1 10 . 1 1 34 34 GLY H H 34 6.624 6.624 7.544 -0.920 25874 1765 1 10 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.632 -2.996 25874 1766 1 10 . 1 1 36 36 GLY N N 36 109.389 109.389 109.465 -0.076 25874 1767 1 10 . 1 1 36 36 GLY H H 36 3.873 3.873 7.014 -3.141 25874 1768 1 10 . 1 1 37 37 LYS N N 37 116.850 116.850 121.097 -4.247 25874 1769 1 10 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.577 -0.418 25874 1770 1 10 . 1 1 37 37 LYS H H 37 7.981 7.981 8.397 -0.416 25874 1771 1 10 . 1 1 38 38 ILE N N 38 128.778 128.778 122.389 6.389 25874 1772 1 10 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.356 -0.632 25874 1773 1 10 . 1 1 38 38 ILE H H 38 10.493 10.493 8.553 1.940 25874 1774 1 10 . 1 1 39 39 GLU N N 39 130.536 130.536 127.881 2.655 25874 1775 1 10 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.209 -0.191 25874 1776 1 10 . 1 1 39 39 GLU H H 39 8.595 8.595 9.169 -0.574 25874 1777 1 10 . 1 1 40 40 GLY N N 40 113.068 113.068 113.241 -0.173 25874 1778 1 10 . 1 1 40 40 GLY H H 40 9.115 9.115 8.494 0.621 25874 1779 1 10 . 1 1 41 41 PHE N N 41 121.942 121.942 122.056 -0.114 25874 1780 1 10 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.246 0.054 25874 1781 1 10 . 1 1 41 41 PHE H H 41 8.010 8.010 7.931 0.079 25874 1782 1 10 . 1 1 42 42 GLY N N 42 114.942 114.942 107.798 7.144 25874 1783 1 10 . 1 1 42 42 GLY H H 42 5.768 5.768 6.150 -0.382 25874 1784 1 10 . 1 1 43 43 LYS N N 43 122.844 122.844 118.514 4.330 25874 1785 1 10 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.869 -0.567 25874 1786 1 10 . 1 1 43 43 LYS H H 43 8.884 8.884 8.294 0.590 25874 1787 1 10 . 1 1 44 44 GLU N N 44 115.043 115.043 119.707 -4.664 25874 1788 1 10 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.787 -0.743 25874 1789 1 10 . 1 1 44 44 GLU H H 44 7.923 7.923 7.923 -0.000 25874 1790 1 10 . 1 1 45 45 MET N N 45 118.080 118.080 118.325 -0.245 25874 1791 1 10 . 1 1 45 45 MET HA H 45 3.848 3.848 4.179 -0.331 25874 1792 1 10 . 1 1 45 45 MET H H 45 7.559 7.559 7.542 0.017 25874 1793 1 10 . 1 1 46 46 ALA N N 46 122.871 122.871 120.243 2.628 25874 1794 1 10 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.761 0.199 25874 1795 1 10 . 1 1 46 46 ALA H H 46 7.907 7.907 7.591 0.316 25874 1796 1 10 . 1 1 47 47 HIS N N 47 113.174 113.174 115.881 -2.707 25874 1797 1 10 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.483 -1.766 25874 1798 1 10 . 1 1 47 47 HIS H H 47 6.721 6.721 7.957 -1.236 25874 1799 1 10 . 1 1 48 48 GLY N N 48 109.910 109.910 107.810 2.100 25874 1800 1 10 . 1 1 48 48 GLY H H 48 6.697 6.697 8.071 -1.374 25874 1801 1 10 . 1 1 49 49 LYS N N 49 125.155 125.155 122.125 3.030 25874 1802 1 10 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.184 -0.466 25874 1803 1 10 . 1 1 49 49 LYS H H 49 8.725 8.725 8.406 0.319 25874 1804 1 10 . 1 1 50 50 GLY N N 50 105.682 105.682 107.863 -2.181 25874 1805 1 10 . 1 1 50 50 GLY H H 50 8.455 8.455 8.220 0.235 25874 1806 1 10 . 1 1 51 51 CYS N N 51 110.903 110.903 117.669 -6.766 25874 1807 1 10 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.311 1.282 25874 1808 1 10 . 1 1 51 51 CYS H H 51 6.640 6.640 7.541 -0.901 25874 1809 1 10 . 1 1 52 52 LYS N N 52 120.482 120.482 120.903 -0.421 25874 1810 1 10 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.146 -1.639 25874 1811 1 10 . 1 1 52 52 LYS H H 52 7.906 7.906 7.576 0.330 25874 1812 1 10 . 1 1 53 53 GLY N N 53 102.630 102.630 107.355 -4.725 25874 1813 1 10 . 1 1 53 53 GLY H H 53 8.549 8.549 7.988 0.561 25874 1814 1 10 . 1 1 54 54 CYS N N 54 120.890 120.890 118.367 2.523 25874 1815 1 10 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.718 -0.319 25874 1816 1 10 . 1 1 54 54 CYS H H 54 6.584 6.584 7.686 -1.102 25874 1817 1 10 . 1 1 55 55 HIS N N 55 117.794 117.794 119.620 -1.826 25874 1818 1 10 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.840 -1.130 25874 1819 1 10 . 1 1 55 55 HIS H H 55 5.404 5.404 7.682 -2.278 25874 1820 1 10 . 1 1 56 56 GLU N N 56 116.823 116.823 120.499 -3.676 25874 1821 1 10 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.024 -0.395 25874 1822 1 10 . 1 1 56 56 GLU H H 56 7.969 7.969 8.463 -0.494 25874 1823 1 10 . 1 1 57 57 GLU N N 57 120.523 120.523 116.209 4.314 25874 1824 1 10 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.105 -0.084 25874 1825 1 10 . 1 1 57 57 GLU H H 57 7.485 7.485 8.037 -0.552 25874 1826 1 10 . 1 1 58 58 MET N N 58 115.336 115.336 115.866 -0.530 25874 1827 1 10 . 1 1 58 58 MET HA H 58 4.352 4.352 4.463 -0.111 25874 1828 1 10 . 1 1 58 58 MET H H 58 8.866 8.866 7.748 1.118 25874 1829 1 10 . 1 1 59 59 LYS N N 59 114.369 114.369 118.384 -4.015 25874 1830 1 10 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.018 -0.305 25874 1831 1 10 . 1 1 59 59 LYS H H 59 7.691 7.691 8.250 -0.559 25874 1832 1 10 . 1 1 60 60 LYS N N 60 118.488 118.488 117.819 0.669 25874 1833 1 10 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.566 -0.287 25874 1834 1 10 . 1 1 60 60 LYS H H 60 7.566 7.566 7.639 -0.073 25874 1835 1 10 . 1 1 61 61 GLY N N 61 103.494 103.494 108.362 -4.868 25874 1836 1 10 . 1 1 61 61 GLY H H 61 7.514 7.514 8.317 -0.803 25874 1837 1 10 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.623 -0.696 25874 1838 1 10 . 1 1 63 63 THR N N 63 109.032 109.032 113.934 -4.902 25874 1839 1 10 . 1 1 63 63 THR HA H 63 4.403 4.403 4.382 0.021 25874 1840 1 10 . 1 1 63 63 THR H H 63 8.271 8.271 8.071 0.200 25874 1841 1 10 . 1 1 64 64 LYS N N 64 124.136 124.136 121.649 2.487 25874 1842 1 10 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.558 0.558 25874 1843 1 10 . 1 1 64 64 LYS H H 64 8.437 8.437 7.588 0.849 25874 1844 1 10 . 1 1 65 65 CYS N N 65 118.006 118.006 117.328 0.678 25874 1845 1 10 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.582 0.187 25874 1846 1 10 . 1 1 65 65 CYS H H 65 8.731 8.731 8.673 0.058 25874 1847 1 10 . 1 1 66 66 GLY N N 66 101.862 101.862 108.031 -6.169 25874 1848 1 10 . 1 1 66 66 GLY H H 66 8.809 8.809 8.556 0.253 25874 1849 1 10 . 1 1 67 67 GLU N N 67 116.476 116.476 120.036 -3.560 25874 1850 1 10 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.368 -0.207 25874 1851 1 10 . 1 1 67 67 GLU H H 67 7.694 7.694 7.646 0.048 25874 1852 1 10 . 1 1 68 68 CYS N N 68 114.694 114.694 116.492 -1.798 25874 1853 1 10 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.425 0.278 25874 1854 1 10 . 1 1 68 68 CYS H H 68 6.422 6.422 7.493 -1.071 25874 1855 1 10 . 1 1 69 69 HIS N N 69 117.752 117.752 119.485 -1.733 25874 1856 1 10 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.884 -2.144 25874 1857 1 10 . 1 1 69 69 HIS H H 69 6.901 6.901 7.866 -0.965 25874 1858 1 10 . 1 1 70 70 LYS N N 70 123.740 123.740 121.827 1.913 25874 1859 1 10 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.497 -0.257 25874 1860 1 10 . 1 1 70 70 LYS H H 70 7.214 7.214 7.830 -0.616 25874 1861 1 11 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.495 0.273 25874 1862 1 11 . 1 1 3 3 ASP N N 3 116.646 116.646 120.122 -3.476 25874 1863 1 11 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.515 0.055 25874 1864 1 11 . 1 1 3 3 ASP H H 3 7.252 7.252 8.096 -0.844 25874 1865 1 11 . 1 1 4 4 ILE N N 4 122.597 122.597 120.028 2.569 25874 1866 1 11 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.191 -0.417 25874 1867 1 11 . 1 1 4 4 ILE H H 4 8.202 8.202 8.078 0.124 25874 1868 1 11 . 1 1 5 5 VAL N N 5 127.035 127.035 124.961 2.074 25874 1869 1 11 . 1 1 5 5 VAL H H 5 8.390 8.390 8.196 0.194 25874 1870 1 11 . 1 1 6 6 PHE N N 6 129.504 129.504 126.407 3.097 25874 1871 1 11 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.732 0.347 25874 1872 1 11 . 1 1 6 6 PHE H H 6 9.545 9.545 8.343 1.202 25874 1873 1 11 . 1 1 7 7 LYS N N 7 125.467 125.467 125.066 0.401 25874 1874 1 11 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.274 0.183 25874 1875 1 11 . 1 1 7 7 LYS H H 7 8.850 8.850 8.779 0.071 25874 1876 1 11 . 1 1 8 8 ALA N N 8 124.878 124.878 127.486 -2.608 25874 1877 1 11 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.646 0.195 25874 1878 1 11 . 1 1 8 8 ALA H H 8 8.255 8.255 8.284 -0.029 25874 1879 1 11 . 1 1 9 9 LYS N N 9 125.448 125.448 121.523 3.925 25874 1880 1 11 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.276 -0.303 25874 1881 1 11 . 1 1 9 9 LYS H H 9 10.288 10.288 8.686 1.602 25874 1882 1 11 . 1 1 10 10 ASN N N 10 113.783 113.783 116.424 -2.641 25874 1883 1 11 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.861 -0.608 25874 1884 1 11 . 1 1 10 10 ASN H H 10 8.773 8.773 8.014 0.759 25874 1885 1 11 . 1 1 11 11 GLY N N 11 110.396 110.396 107.456 2.940 25874 1886 1 11 . 1 1 11 11 GLY H H 11 6.968 6.968 7.442 -0.474 25874 1887 1 11 . 1 1 12 12 ASP N N 12 129.103 129.103 122.995 6.108 25874 1888 1 11 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.706 -0.301 25874 1889 1 11 . 1 1 12 12 ASP H H 12 7.962 7.962 8.375 -0.413 25874 1890 1 11 . 1 1 13 13 VAL N N 13 121.052 121.052 125.248 -4.196 25874 1891 1 11 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.452 -0.178 25874 1892 1 11 . 1 1 13 13 VAL H H 13 8.620 8.620 8.025 0.595 25874 1893 1 11 . 1 1 14 14 LYS N N 14 129.063 129.063 128.618 0.445 25874 1894 1 11 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.615 -0.007 25874 1895 1 11 . 1 1 14 14 LYS H H 14 9.012 9.012 8.476 0.536 25874 1896 1 11 . 1 1 15 15 PHE N N 15 127.819 127.819 124.655 3.164 25874 1897 1 11 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.093 0.588 25874 1898 1 11 . 1 1 15 15 PHE H H 15 9.449 9.449 8.485 0.964 25874 1899 1 11 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.515 0.055 25874 1900 1 11 . 1 1 17 17 HIS N N 17 132.614 132.614 126.139 6.475 25874 1901 1 11 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.821 -3.004 25874 1902 1 11 . 1 1 17 17 HIS H H 17 6.540 6.540 8.216 -1.676 25874 1903 1 11 . 1 1 18 18 LYS N N 18 118.133 118.133 119.803 -1.670 25874 1904 1 11 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.963 -1.387 25874 1905 1 11 . 1 1 18 18 LYS H H 18 7.325 7.325 8.208 -0.883 25874 1906 1 11 . 1 1 19 19 ALA N N 19 120.621 120.621 119.848 0.773 25874 1907 1 11 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.154 -0.758 25874 1908 1 11 . 1 1 19 19 ALA H H 19 7.014 7.014 7.903 -0.889 25874 1909 1 11 . 1 1 20 20 HIS N N 20 116.674 116.674 117.834 -1.160 25874 1910 1 11 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.326 -1.834 25874 1911 1 11 . 1 1 20 20 HIS H H 20 6.376 6.376 8.447 -2.071 25874 1912 1 11 . 1 1 21 21 GLN N N 21 117.448 117.448 116.684 0.764 25874 1913 1 11 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.155 -0.091 25874 1914 1 11 . 1 1 21 21 GLN H H 21 6.796 6.796 7.897 -1.101 25874 1915 1 11 . 1 1 22 22 LYS N N 22 115.279 115.279 117.937 -2.658 25874 1916 1 11 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.329 -0.313 25874 1917 1 11 . 1 1 22 22 LYS H H 22 6.578 6.578 7.891 -1.313 25874 1918 1 11 . 1 1 23 23 ALA N N 23 120.362 120.362 122.208 -1.846 25874 1919 1 11 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.208 -0.014 25874 1920 1 11 . 1 1 23 23 ALA H H 23 6.963 6.963 7.748 -0.785 25874 1921 1 11 . 1 1 24 24 VAL N N 24 120.608 120.608 118.867 1.741 25874 1922 1 11 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.403 0.194 25874 1923 1 11 . 1 1 24 24 VAL H H 24 8.369 8.369 7.505 0.864 25874 1924 1 11 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.473 0.301 25874 1925 1 11 . 1 1 26 26 ASP N N 26 117.853 117.853 120.965 -3.112 25874 1926 1 11 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.503 0.575 25874 1927 1 11 . 1 1 26 26 ASP H H 26 7.828 7.828 8.494 -0.666 25874 1928 1 11 . 1 1 27 27 CYS N N 27 123.776 123.776 125.088 -1.312 25874 1929 1 11 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.468 0.496 25874 1930 1 11 . 1 1 27 27 CYS H H 27 8.544 8.544 8.710 -0.166 25874 1931 1 11 . 1 1 28 28 LYS N N 28 114.260 114.260 121.014 -6.754 25874 1932 1 11 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.284 -0.787 25874 1933 1 11 . 1 1 28 28 LYS H H 28 8.062 8.062 8.683 -0.621 25874 1934 1 11 . 1 1 29 29 LYS N N 29 118.718 118.718 116.025 2.693 25874 1935 1 11 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.159 -0.126 25874 1936 1 11 . 1 1 29 29 LYS H H 29 7.751 7.751 7.768 -0.017 25874 1937 1 11 . 1 1 30 30 CYS N N 30 111.794 111.794 113.448 -1.654 25874 1938 1 11 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.490 0.150 25874 1939 1 11 . 1 1 30 30 CYS H H 30 6.273 6.273 8.408 -2.135 25874 1940 1 11 . 1 1 31 31 HIS N N 31 118.519 118.519 120.698 -2.179 25874 1941 1 11 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.908 -1.843 25874 1942 1 11 . 1 1 31 31 HIS H H 31 7.120 7.120 8.617 -1.497 25874 1943 1 11 . 1 1 32 32 GLU N N 32 125.364 125.364 121.193 4.171 25874 1944 1 11 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.079 -0.383 25874 1945 1 11 . 1 1 32 32 GLU H H 32 7.986 7.986 8.061 -0.075 25874 1946 1 11 . 1 1 33 33 LYS N N 33 115.015 115.015 118.073 -3.058 25874 1947 1 11 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.387 -0.174 25874 1948 1 11 . 1 1 33 33 LYS H H 33 8.183 8.183 7.878 0.305 25874 1949 1 11 . 1 1 34 34 GLY N N 34 107.428 107.428 109.579 -2.151 25874 1950 1 11 . 1 1 34 34 GLY H H 34 6.624 6.624 7.801 -1.177 25874 1951 1 11 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.578 -2.942 25874 1952 1 11 . 1 1 36 36 GLY N N 36 109.389 109.389 106.648 2.741 25874 1953 1 11 . 1 1 36 36 GLY H H 36 3.873 3.873 7.625 -3.752 25874 1954 1 11 . 1 1 37 37 LYS N N 37 116.850 116.850 120.633 -3.783 25874 1955 1 11 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.486 -0.327 25874 1956 1 11 . 1 1 37 37 LYS H H 37 7.981 7.981 8.314 -0.333 25874 1957 1 11 . 1 1 38 38 ILE N N 38 128.778 128.778 122.870 5.908 25874 1958 1 11 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.336 -0.612 25874 1959 1 11 . 1 1 38 38 ILE H H 38 10.493 10.493 8.564 1.929 25874 1960 1 11 . 1 1 39 39 GLU N N 39 130.536 130.536 127.350 3.186 25874 1961 1 11 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.137 -0.119 25874 1962 1 11 . 1 1 39 39 GLU H H 39 8.595 8.595 9.042 -0.447 25874 1963 1 11 . 1 1 40 40 GLY N N 40 113.068 113.068 114.244 -1.176 25874 1964 1 11 . 1 1 40 40 GLY H H 40 9.115 9.115 8.523 0.592 25874 1965 1 11 . 1 1 41 41 PHE N N 41 121.942 121.942 121.616 0.326 25874 1966 1 11 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.349 -0.049 25874 1967 1 11 . 1 1 41 41 PHE H H 41 8.010 8.010 8.042 -0.032 25874 1968 1 11 . 1 1 42 42 GLY N N 42 114.942 114.942 109.282 5.660 25874 1969 1 11 . 1 1 42 42 GLY H H 42 5.768 5.768 6.383 -0.615 25874 1970 1 11 . 1 1 43 43 LYS N N 43 122.844 122.844 118.681 4.163 25874 1971 1 11 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.955 -0.653 25874 1972 1 11 . 1 1 43 43 LYS H H 43 8.884 8.884 8.402 0.482 25874 1973 1 11 . 1 1 44 44 GLU N N 44 115.043 115.043 119.793 -4.750 25874 1974 1 11 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.786 -0.742 25874 1975 1 11 . 1 1 44 44 GLU H H 44 7.923 7.923 7.991 -0.068 25874 1976 1 11 . 1 1 45 45 MET N N 45 118.080 118.080 118.216 -0.136 25874 1977 1 11 . 1 1 45 45 MET HA H 45 3.848 3.848 4.127 -0.279 25874 1978 1 11 . 1 1 45 45 MET H H 45 7.559 7.559 7.637 -0.078 25874 1979 1 11 . 1 1 46 46 ALA N N 46 122.871 122.871 120.257 2.614 25874 1980 1 11 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.675 0.285 25874 1981 1 11 . 1 1 46 46 ALA H H 46 7.907 7.907 7.369 0.538 25874 1982 1 11 . 1 1 47 47 HIS N N 47 113.174 113.174 115.718 -2.544 25874 1983 1 11 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.465 -1.748 25874 1984 1 11 . 1 1 47 47 HIS H H 47 6.721 6.721 8.182 -1.461 25874 1985 1 11 . 1 1 48 48 GLY N N 48 109.910 109.910 107.835 2.075 25874 1986 1 11 . 1 1 48 48 GLY H H 48 6.697 6.697 8.152 -1.455 25874 1987 1 11 . 1 1 49 49 LYS N N 49 125.155 125.155 120.281 4.874 25874 1988 1 11 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.240 -0.522 25874 1989 1 11 . 1 1 49 49 LYS H H 49 8.725 8.725 8.301 0.424 25874 1990 1 11 . 1 1 50 50 GLY N N 50 105.682 105.682 108.321 -2.639 25874 1991 1 11 . 1 1 50 50 GLY H H 50 8.455 8.455 7.895 0.560 25874 1992 1 11 . 1 1 51 51 CYS N N 51 110.903 110.903 117.423 -6.520 25874 1993 1 11 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.266 1.327 25874 1994 1 11 . 1 1 51 51 CYS H H 51 6.640 6.640 7.492 -0.852 25874 1995 1 11 . 1 1 52 52 LYS N N 52 120.482 120.482 120.493 -0.011 25874 1996 1 11 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.165 -1.657 25874 1997 1 11 . 1 1 52 52 LYS H H 52 7.906 7.906 7.553 0.353 25874 1998 1 11 . 1 1 53 53 GLY N N 53 102.630 102.630 108.118 -5.488 25874 1999 1 11 . 1 1 53 53 GLY H H 53 8.549 8.549 8.021 0.528 25874 2000 1 11 . 1 1 54 54 CYS N N 54 120.890 120.890 119.230 1.660 25874 2001 1 11 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.724 -0.325 25874 2002 1 11 . 1 1 54 54 CYS H H 54 6.584 6.584 8.047 -1.463 25874 2003 1 11 . 1 1 55 55 HIS N N 55 117.794 117.794 119.584 -1.790 25874 2004 1 11 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.829 -1.119 25874 2005 1 11 . 1 1 55 55 HIS H H 55 5.404 5.404 7.583 -2.179 25874 2006 1 11 . 1 1 56 56 GLU N N 56 116.823 116.823 120.908 -4.085 25874 2007 1 11 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.049 -0.420 25874 2008 1 11 . 1 1 56 56 GLU H H 56 7.969 7.969 8.440 -0.471 25874 2009 1 11 . 1 1 57 57 GLU N N 57 120.523 120.523 117.848 2.675 25874 2010 1 11 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.061 -0.040 25874 2011 1 11 . 1 1 57 57 GLU H H 57 7.485 7.485 7.936 -0.451 25874 2012 1 11 . 1 1 58 58 MET N N 58 115.336 115.336 116.124 -0.788 25874 2013 1 11 . 1 1 58 58 MET HA H 58 4.352 4.352 4.455 -0.103 25874 2014 1 11 . 1 1 58 58 MET H H 58 8.866 8.866 7.534 1.332 25874 2015 1 11 . 1 1 59 59 LYS N N 59 114.369 114.369 116.345 -1.976 25874 2016 1 11 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.022 -0.309 25874 2017 1 11 . 1 1 59 59 LYS H H 59 7.691 7.691 8.168 -0.477 25874 2018 1 11 . 1 1 60 60 LYS N N 60 118.488 118.488 119.542 -1.054 25874 2019 1 11 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.506 -0.227 25874 2020 1 11 . 1 1 60 60 LYS H H 60 7.566 7.566 7.814 -0.248 25874 2021 1 11 . 1 1 61 61 GLY N N 61 103.494 103.494 110.200 -6.706 25874 2022 1 11 . 1 1 61 61 GLY H H 61 7.514 7.514 8.242 -0.728 25874 2023 1 11 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.482 -0.555 25874 2024 1 11 . 1 1 63 63 THR N N 63 109.032 109.032 113.893 -4.861 25874 2025 1 11 . 1 1 63 63 THR HA H 63 4.403 4.403 4.484 -0.081 25874 2026 1 11 . 1 1 63 63 THR H H 63 8.271 8.271 8.005 0.266 25874 2027 1 11 . 1 1 64 64 LYS N N 64 124.136 124.136 121.398 2.738 25874 2028 1 11 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.636 0.480 25874 2029 1 11 . 1 1 64 64 LYS H H 64 8.437 8.437 7.697 0.740 25874 2030 1 11 . 1 1 65 65 CYS N N 65 118.006 118.006 117.021 0.985 25874 2031 1 11 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.647 0.122 25874 2032 1 11 . 1 1 65 65 CYS H H 65 8.731 8.731 8.728 0.003 25874 2033 1 11 . 1 1 66 66 GLY N N 66 101.862 101.862 107.802 -5.940 25874 2034 1 11 . 1 1 66 66 GLY H H 66 8.809 8.809 8.394 0.415 25874 2035 1 11 . 1 1 67 67 GLU N N 67 116.476 116.476 120.274 -3.798 25874 2036 1 11 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.506 -0.345 25874 2037 1 11 . 1 1 67 67 GLU H H 67 7.694 7.694 7.679 0.015 25874 2038 1 11 . 1 1 68 68 CYS N N 68 114.694 114.694 117.178 -2.484 25874 2039 1 11 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.389 0.314 25874 2040 1 11 . 1 1 68 68 CYS H H 68 6.422 6.422 7.508 -1.086 25874 2041 1 11 . 1 1 69 69 HIS N N 69 117.752 117.752 119.560 -1.808 25874 2042 1 11 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.854 -2.114 25874 2043 1 11 . 1 1 69 69 HIS H H 69 6.901 6.901 7.922 -1.021 25874 2044 1 11 . 1 1 70 70 LYS N N 70 123.740 123.740 122.368 1.372 25874 2045 1 11 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.426 -0.186 25874 2046 1 11 . 1 1 70 70 LYS H H 70 7.214 7.214 7.709 -0.495 25874 2047 1 12 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.383 0.385 25874 2048 1 12 . 1 1 3 3 ASP N N 3 116.646 116.646 118.713 -2.067 25874 2049 1 12 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.482 0.088 25874 2050 1 12 . 1 1 3 3 ASP H H 3 7.252 7.252 7.959 -0.707 25874 2051 1 12 . 1 1 4 4 ILE N N 4 122.597 122.597 119.019 3.578 25874 2052 1 12 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.170 -0.396 25874 2053 1 12 . 1 1 4 4 ILE H H 4 8.202 8.202 8.106 0.096 25874 2054 1 12 . 1 1 5 5 VAL N N 5 127.035 127.035 123.781 3.254 25874 2055 1 12 . 1 1 5 5 VAL H H 5 8.390 8.390 8.139 0.251 25874 2056 1 12 . 1 1 6 6 PHE N N 6 129.504 129.504 125.709 3.795 25874 2057 1 12 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.764 0.315 25874 2058 1 12 . 1 1 6 6 PHE H H 6 9.545 9.545 8.372 1.173 25874 2059 1 12 . 1 1 7 7 LYS N N 7 125.467 125.467 125.224 0.243 25874 2060 1 12 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.307 0.150 25874 2061 1 12 . 1 1 7 7 LYS H H 7 8.850 8.850 8.786 0.064 25874 2062 1 12 . 1 1 8 8 ALA N N 8 124.878 124.878 128.412 -3.534 25874 2063 1 12 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.627 0.214 25874 2064 1 12 . 1 1 8 8 ALA H H 8 8.255 8.255 8.204 0.051 25874 2065 1 12 . 1 1 9 9 LYS N N 9 125.448 125.448 122.041 3.407 25874 2066 1 12 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.286 -0.313 25874 2067 1 12 . 1 1 9 9 LYS H H 9 10.288 10.288 8.745 1.543 25874 2068 1 12 . 1 1 10 10 ASN N N 10 113.783 113.783 116.342 -2.559 25874 2069 1 12 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.855 -0.602 25874 2070 1 12 . 1 1 10 10 ASN H H 10 8.773 8.773 8.009 0.764 25874 2071 1 12 . 1 1 11 11 GLY N N 11 110.396 110.396 107.535 2.861 25874 2072 1 12 . 1 1 11 11 GLY H H 11 6.968 6.968 7.411 -0.443 25874 2073 1 12 . 1 1 12 12 ASP N N 12 129.103 129.103 123.595 5.508 25874 2074 1 12 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.777 -0.372 25874 2075 1 12 . 1 1 12 12 ASP H H 12 7.962 7.962 8.387 -0.425 25874 2076 1 12 . 1 1 13 13 VAL N N 13 121.052 121.052 125.104 -4.052 25874 2077 1 12 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.466 -0.192 25874 2078 1 12 . 1 1 13 13 VAL H H 13 8.620 8.620 7.971 0.649 25874 2079 1 12 . 1 1 14 14 LYS N N 14 129.063 129.063 128.341 0.722 25874 2080 1 12 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.693 -0.085 25874 2081 1 12 . 1 1 14 14 LYS H H 14 9.012 9.012 8.519 0.493 25874 2082 1 12 . 1 1 15 15 PHE N N 15 127.819 127.819 123.979 3.840 25874 2083 1 12 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.092 0.589 25874 2084 1 12 . 1 1 15 15 PHE H H 15 9.449 9.449 8.606 0.843 25874 2085 1 12 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.556 0.014 25874 2086 1 12 . 1 1 17 17 HIS N N 17 132.614 132.614 125.936 6.678 25874 2087 1 12 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.801 -2.984 25874 2088 1 12 . 1 1 17 17 HIS H H 17 6.540 6.540 8.203 -1.663 25874 2089 1 12 . 1 1 18 18 LYS N N 18 118.133 118.133 119.351 -1.218 25874 2090 1 12 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.874 -1.298 25874 2091 1 12 . 1 1 18 18 LYS H H 18 7.325 7.325 8.528 -1.203 25874 2092 1 12 . 1 1 19 19 ALA N N 19 120.621 120.621 120.991 -0.370 25874 2093 1 12 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.139 -0.743 25874 2094 1 12 . 1 1 19 19 ALA H H 19 7.014 7.014 8.355 -1.341 25874 2095 1 12 . 1 1 20 20 HIS N N 20 116.674 116.674 116.342 0.332 25874 2096 1 12 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.445 -1.953 25874 2097 1 12 . 1 1 20 20 HIS H H 20 6.376 6.376 8.050 -1.674 25874 2098 1 12 . 1 1 21 21 GLN N N 21 117.448 117.448 117.177 0.271 25874 2099 1 12 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.225 -0.161 25874 2100 1 12 . 1 1 21 21 GLN H H 21 6.796 6.796 7.959 -1.163 25874 2101 1 12 . 1 1 22 22 LYS N N 22 115.279 115.279 118.088 -2.809 25874 2102 1 12 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.321 -0.305 25874 2103 1 12 . 1 1 22 22 LYS H H 22 6.578 6.578 7.715 -1.137 25874 2104 1 12 . 1 1 23 23 ALA N N 23 120.362 120.362 122.179 -1.817 25874 2105 1 12 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.350 -0.156 25874 2106 1 12 . 1 1 23 23 ALA H H 23 6.963 6.963 7.484 -0.521 25874 2107 1 12 . 1 1 24 24 VAL N N 24 120.608 120.608 119.962 0.646 25874 2108 1 12 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.510 0.087 25874 2109 1 12 . 1 1 24 24 VAL H H 24 8.369 8.369 7.578 0.791 25874 2110 1 12 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.287 0.487 25874 2111 1 12 . 1 1 26 26 ASP N N 26 117.853 117.853 118.290 -0.437 25874 2112 1 12 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.583 0.495 25874 2113 1 12 . 1 1 26 26 ASP H H 26 7.828 7.828 8.074 -0.246 25874 2114 1 12 . 1 1 27 27 CYS N N 27 123.776 123.776 124.703 -0.927 25874 2115 1 12 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.496 0.468 25874 2116 1 12 . 1 1 27 27 CYS H H 27 8.544 8.544 8.699 -0.155 25874 2117 1 12 . 1 1 28 28 LYS N N 28 114.260 114.260 121.027 -6.767 25874 2118 1 12 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.230 -0.733 25874 2119 1 12 . 1 1 28 28 LYS H H 28 8.062 8.062 8.042 0.020 25874 2120 1 12 . 1 1 29 29 LYS N N 29 118.718 118.718 115.272 3.446 25874 2121 1 12 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.179 -0.146 25874 2122 1 12 . 1 1 29 29 LYS H H 29 7.751 7.751 7.979 -0.228 25874 2123 1 12 . 1 1 30 30 CYS N N 30 111.794 111.794 113.308 -1.514 25874 2124 1 12 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.502 0.138 25874 2125 1 12 . 1 1 30 30 CYS H H 30 6.273 6.273 8.399 -2.126 25874 2126 1 12 . 1 1 31 31 HIS N N 31 118.519 118.519 120.918 -2.399 25874 2127 1 12 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.905 -1.840 25874 2128 1 12 . 1 1 31 31 HIS H H 31 7.120 7.120 8.671 -1.551 25874 2129 1 12 . 1 1 32 32 GLU N N 32 125.364 125.364 121.753 3.611 25874 2130 1 12 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.183 -0.487 25874 2131 1 12 . 1 1 32 32 GLU H H 32 7.986 7.986 8.228 -0.242 25874 2132 1 12 . 1 1 33 33 LYS N N 33 115.015 115.015 117.702 -2.687 25874 2133 1 12 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.381 -0.168 25874 2134 1 12 . 1 1 33 33 LYS H H 33 8.183 8.183 7.917 0.266 25874 2135 1 12 . 1 1 34 34 GLY N N 34 107.428 107.428 109.340 -1.912 25874 2136 1 12 . 1 1 34 34 GLY H H 34 6.624 6.624 7.542 -0.918 25874 2137 1 12 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.600 -2.964 25874 2138 1 12 . 1 1 36 36 GLY N N 36 109.389 109.389 107.512 1.877 25874 2139 1 12 . 1 1 36 36 GLY H H 36 3.873 3.873 7.661 -3.788 25874 2140 1 12 . 1 1 37 37 LYS N N 37 116.850 116.850 119.968 -3.118 25874 2141 1 12 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.411 -0.252 25874 2142 1 12 . 1 1 37 37 LYS H H 37 7.981 7.981 8.293 -0.312 25874 2143 1 12 . 1 1 38 38 ILE N N 38 128.778 128.778 121.544 7.234 25874 2144 1 12 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.352 -0.628 25874 2145 1 12 . 1 1 38 38 ILE H H 38 10.493 10.493 8.476 2.017 25874 2146 1 12 . 1 1 39 39 GLU N N 39 130.536 130.536 128.150 2.386 25874 2147 1 12 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.149 -0.131 25874 2148 1 12 . 1 1 39 39 GLU H H 39 8.595 8.595 9.166 -0.571 25874 2149 1 12 . 1 1 40 40 GLY N N 40 113.068 113.068 113.883 -0.815 25874 2150 1 12 . 1 1 40 40 GLY H H 40 9.115 9.115 8.208 0.907 25874 2151 1 12 . 1 1 41 41 PHE N N 41 121.942 121.942 122.315 -0.373 25874 2152 1 12 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.282 0.018 25874 2153 1 12 . 1 1 41 41 PHE H H 41 8.010 8.010 8.098 -0.088 25874 2154 1 12 . 1 1 42 42 GLY N N 42 114.942 114.942 107.977 6.965 25874 2155 1 12 . 1 1 42 42 GLY H H 42 5.768 5.768 6.205 -0.437 25874 2156 1 12 . 1 1 43 43 LYS N N 43 122.844 122.844 118.492 4.352 25874 2157 1 12 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.873 -0.571 25874 2158 1 12 . 1 1 43 43 LYS H H 43 8.884 8.884 8.309 0.575 25874 2159 1 12 . 1 1 44 44 GLU N N 44 115.043 115.043 119.661 -4.618 25874 2160 1 12 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.788 -0.744 25874 2161 1 12 . 1 1 44 44 GLU H H 44 7.923 7.923 7.938 -0.015 25874 2162 1 12 . 1 1 45 45 MET N N 45 118.080 118.080 118.353 -0.273 25874 2163 1 12 . 1 1 45 45 MET HA H 45 3.848 3.848 4.176 -0.328 25874 2164 1 12 . 1 1 45 45 MET H H 45 7.559 7.559 7.558 0.001 25874 2165 1 12 . 1 1 46 46 ALA N N 46 122.871 122.871 120.160 2.711 25874 2166 1 12 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.773 0.187 25874 2167 1 12 . 1 1 46 46 ALA H H 46 7.907 7.907 7.632 0.275 25874 2168 1 12 . 1 1 47 47 HIS N N 47 113.174 113.174 115.712 -2.538 25874 2169 1 12 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.452 -1.735 25874 2170 1 12 . 1 1 47 47 HIS H H 47 6.721 6.721 7.974 -1.253 25874 2171 1 12 . 1 1 48 48 GLY N N 48 109.910 109.910 107.611 2.299 25874 2172 1 12 . 1 1 48 48 GLY H H 48 6.697 6.697 8.145 -1.448 25874 2173 1 12 . 1 1 49 49 LYS N N 49 125.155 125.155 121.332 3.823 25874 2174 1 12 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.170 -0.452 25874 2175 1 12 . 1 1 49 49 LYS H H 49 8.725 8.725 8.420 0.305 25874 2176 1 12 . 1 1 50 50 GLY N N 50 105.682 105.682 107.879 -2.197 25874 2177 1 12 . 1 1 50 50 GLY H H 50 8.455 8.455 8.167 0.288 25874 2178 1 12 . 1 1 51 51 CYS N N 51 110.903 110.903 117.578 -6.675 25874 2179 1 12 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.303 1.290 25874 2180 1 12 . 1 1 51 51 CYS H H 51 6.640 6.640 7.543 -0.903 25874 2181 1 12 . 1 1 52 52 LYS N N 52 120.482 120.482 120.836 -0.354 25874 2182 1 12 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.139 -1.631 25874 2183 1 12 . 1 1 52 52 LYS H H 52 7.906 7.906 7.574 0.332 25874 2184 1 12 . 1 1 53 53 GLY N N 53 102.630 102.630 107.495 -4.865 25874 2185 1 12 . 1 1 53 53 GLY H H 53 8.549 8.549 7.974 0.575 25874 2186 1 12 . 1 1 54 54 CYS N N 54 120.890 120.890 118.532 2.358 25874 2187 1 12 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.708 -0.309 25874 2188 1 12 . 1 1 54 54 CYS H H 54 6.584 6.584 7.744 -1.160 25874 2189 1 12 . 1 1 55 55 HIS N N 55 117.794 117.794 119.617 -1.823 25874 2190 1 12 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.856 -1.146 25874 2191 1 12 . 1 1 55 55 HIS H H 55 5.404 5.404 7.720 -2.316 25874 2192 1 12 . 1 1 56 56 GLU N N 56 116.823 116.823 120.458 -3.635 25874 2193 1 12 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.032 -0.403 25874 2194 1 12 . 1 1 56 56 GLU H H 56 7.969 7.969 8.631 -0.662 25874 2195 1 12 . 1 1 57 57 GLU N N 57 120.523 120.523 117.734 2.789 25874 2196 1 12 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.049 -0.028 25874 2197 1 12 . 1 1 57 57 GLU H H 57 7.485 7.485 7.861 -0.376 25874 2198 1 12 . 1 1 58 58 MET N N 58 115.336 115.336 115.444 -0.108 25874 2199 1 12 . 1 1 58 58 MET HA H 58 4.352 4.352 4.472 -0.120 25874 2200 1 12 . 1 1 58 58 MET H H 58 8.866 8.866 7.621 1.245 25874 2201 1 12 . 1 1 59 59 LYS N N 59 114.369 114.369 116.075 -1.706 25874 2202 1 12 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.008 -0.295 25874 2203 1 12 . 1 1 59 59 LYS H H 59 7.691 7.691 8.239 -0.548 25874 2204 1 12 . 1 1 60 60 LYS N N 60 118.488 118.488 119.640 -1.152 25874 2205 1 12 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.529 -0.250 25874 2206 1 12 . 1 1 60 60 LYS H H 60 7.566 7.566 7.803 -0.237 25874 2207 1 12 . 1 1 61 61 GLY N N 61 103.494 103.494 110.073 -6.579 25874 2208 1 12 . 1 1 61 61 GLY H H 61 7.514 7.514 8.211 -0.697 25874 2209 1 12 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.497 -0.570 25874 2210 1 12 . 1 1 63 63 THR N N 63 109.032 109.032 113.319 -4.287 25874 2211 1 12 . 1 1 63 63 THR HA H 63 4.403 4.403 4.494 -0.091 25874 2212 1 12 . 1 1 63 63 THR H H 63 8.271 8.271 8.131 0.140 25874 2213 1 12 . 1 1 64 64 LYS N N 64 124.136 124.136 121.295 2.841 25874 2214 1 12 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.701 0.415 25874 2215 1 12 . 1 1 64 64 LYS H H 64 8.437 8.437 7.827 0.610 25874 2216 1 12 . 1 1 65 65 CYS N N 65 118.006 118.006 116.976 1.030 25874 2217 1 12 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.646 0.123 25874 2218 1 12 . 1 1 65 65 CYS H H 65 8.731 8.731 8.707 0.024 25874 2219 1 12 . 1 1 66 66 GLY N N 66 101.862 101.862 107.967 -6.105 25874 2220 1 12 . 1 1 66 66 GLY H H 66 8.809 8.809 8.480 0.329 25874 2221 1 12 . 1 1 67 67 GLU N N 67 116.476 116.476 120.191 -3.715 25874 2222 1 12 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.377 -0.216 25874 2223 1 12 . 1 1 67 67 GLU H H 67 7.694 7.694 7.637 0.057 25874 2224 1 12 . 1 1 68 68 CYS N N 68 114.694 114.694 117.028 -2.334 25874 2225 1 12 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.419 0.284 25874 2226 1 12 . 1 1 68 68 CYS H H 68 6.422 6.422 7.486 -1.064 25874 2227 1 12 . 1 1 69 69 HIS N N 69 117.752 117.752 119.302 -1.550 25874 2228 1 12 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.811 -2.071 25874 2229 1 12 . 1 1 69 69 HIS H H 69 6.901 6.901 7.961 -1.060 25874 2230 1 12 . 1 1 70 70 LYS N N 70 123.740 123.740 121.915 1.825 25874 2231 1 12 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.473 -0.233 25874 2232 1 12 . 1 1 70 70 LYS H H 70 7.214 7.214 7.765 -0.551 25874 2233 1 13 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.581 0.187 25874 2234 1 13 . 1 1 3 3 ASP N N 3 116.646 116.646 119.163 -2.517 25874 2235 1 13 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.495 0.075 25874 2236 1 13 . 1 1 3 3 ASP H H 3 7.252 7.252 7.959 -0.707 25874 2237 1 13 . 1 1 4 4 ILE N N 4 122.597 122.597 119.115 3.482 25874 2238 1 13 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.183 -0.409 25874 2239 1 13 . 1 1 4 4 ILE H H 4 8.202 8.202 8.000 0.202 25874 2240 1 13 . 1 1 5 5 VAL N N 5 127.035 127.035 124.254 2.781 25874 2241 1 13 . 1 1 5 5 VAL H H 5 8.390 8.390 8.186 0.204 25874 2242 1 13 . 1 1 6 6 PHE N N 6 129.504 129.504 126.384 3.120 25874 2243 1 13 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.747 0.332 25874 2244 1 13 . 1 1 6 6 PHE H H 6 9.545 9.545 8.382 1.163 25874 2245 1 13 . 1 1 7 7 LYS N N 7 125.467 125.467 126.269 -0.802 25874 2246 1 13 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.298 0.159 25874 2247 1 13 . 1 1 7 7 LYS H H 7 8.850 8.850 8.744 0.106 25874 2248 1 13 . 1 1 8 8 ALA N N 8 124.878 124.878 126.664 -1.786 25874 2249 1 13 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.762 0.079 25874 2250 1 13 . 1 1 8 8 ALA H H 8 8.255 8.255 8.169 0.086 25874 2251 1 13 . 1 1 9 9 LYS N N 9 125.448 125.448 121.109 4.339 25874 2252 1 13 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.300 -0.327 25874 2253 1 13 . 1 1 9 9 LYS H H 9 10.288 10.288 8.883 1.405 25874 2254 1 13 . 1 1 10 10 ASN N N 10 113.783 113.783 115.225 -1.442 25874 2255 1 13 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.786 -0.533 25874 2256 1 13 . 1 1 10 10 ASN H H 10 8.773 8.773 7.828 0.945 25874 2257 1 13 . 1 1 11 11 GLY N N 11 110.396 110.396 108.451 1.945 25874 2258 1 13 . 1 1 11 11 GLY H H 11 6.968 6.968 7.483 -0.515 25874 2259 1 13 . 1 1 12 12 ASP N N 12 129.103 129.103 123.476 5.627 25874 2260 1 13 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.756 -0.351 25874 2261 1 13 . 1 1 12 12 ASP H H 12 7.962 7.962 8.385 -0.423 25874 2262 1 13 . 1 1 13 13 VAL N N 13 121.052 121.052 125.388 -4.336 25874 2263 1 13 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.443 -0.169 25874 2264 1 13 . 1 1 13 13 VAL H H 13 8.620 8.620 8.217 0.403 25874 2265 1 13 . 1 1 14 14 LYS N N 14 129.063 129.063 128.343 0.720 25874 2266 1 13 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.691 -0.083 25874 2267 1 13 . 1 1 14 14 LYS H H 14 9.012 9.012 8.467 0.545 25874 2268 1 13 . 1 1 15 15 PHE N N 15 127.819 127.819 124.576 3.243 25874 2269 1 13 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.110 0.571 25874 2270 1 13 . 1 1 15 15 PHE H H 15 9.449 9.449 8.531 0.918 25874 2271 1 13 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.515 0.055 25874 2272 1 13 . 1 1 17 17 HIS N N 17 132.614 132.614 125.913 6.701 25874 2273 1 13 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.818 -3.001 25874 2274 1 13 . 1 1 17 17 HIS H H 17 6.540 6.540 8.174 -1.634 25874 2275 1 13 . 1 1 18 18 LYS N N 18 118.133 118.133 119.822 -1.689 25874 2276 1 13 . 1 1 18 18 LYS HA H 18 2.576 2.576 4.003 -1.427 25874 2277 1 13 . 1 1 18 18 LYS H H 18 7.325 7.325 8.360 -1.035 25874 2278 1 13 . 1 1 19 19 ALA N N 19 120.621 120.621 119.902 0.719 25874 2279 1 13 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.124 -0.728 25874 2280 1 13 . 1 1 19 19 ALA H H 19 7.014 7.014 7.922 -0.908 25874 2281 1 13 . 1 1 20 20 HIS N N 20 116.674 116.674 118.099 -1.425 25874 2282 1 13 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.282 -1.790 25874 2283 1 13 . 1 1 20 20 HIS H H 20 6.376 6.376 8.227 -1.851 25874 2284 1 13 . 1 1 21 21 GLN N N 21 117.448 117.448 116.670 0.778 25874 2285 1 13 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.137 -0.073 25874 2286 1 13 . 1 1 21 21 GLN H H 21 6.796 6.796 7.802 -1.006 25874 2287 1 13 . 1 1 22 22 LYS N N 22 115.279 115.279 117.514 -2.235 25874 2288 1 13 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.321 -0.305 25874 2289 1 13 . 1 1 22 22 LYS H H 22 6.578 6.578 8.028 -1.450 25874 2290 1 13 . 1 1 23 23 ALA N N 23 120.362 120.362 121.750 -1.388 25874 2291 1 13 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.356 -0.162 25874 2292 1 13 . 1 1 23 23 ALA H H 23 6.963 6.963 7.515 -0.552 25874 2293 1 13 . 1 1 24 24 VAL N N 24 120.608 120.608 119.659 0.949 25874 2294 1 13 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.436 0.161 25874 2295 1 13 . 1 1 24 24 VAL H H 24 8.369 8.369 8.132 0.237 25874 2296 1 13 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.504 0.270 25874 2297 1 13 . 1 1 26 26 ASP N N 26 117.853 117.853 121.102 -3.249 25874 2298 1 13 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.468 0.610 25874 2299 1 13 . 1 1 26 26 ASP H H 26 7.828 7.828 8.527 -0.699 25874 2300 1 13 . 1 1 27 27 CYS N N 27 123.776 123.776 124.075 -0.299 25874 2301 1 13 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.563 0.401 25874 2302 1 13 . 1 1 27 27 CYS H H 27 8.544 8.544 8.710 -0.166 25874 2303 1 13 . 1 1 28 28 LYS N N 28 114.260 114.260 121.799 -7.539 25874 2304 1 13 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.225 -0.728 25874 2305 1 13 . 1 1 28 28 LYS H H 28 8.062 8.062 8.250 -0.188 25874 2306 1 13 . 1 1 29 29 LYS N N 29 118.718 118.718 117.150 1.568 25874 2307 1 13 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.156 -0.123 25874 2308 1 13 . 1 1 29 29 LYS H H 29 7.751 7.751 8.383 -0.632 25874 2309 1 13 . 1 1 30 30 CYS N N 30 111.794 111.794 114.120 -2.326 25874 2310 1 13 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.608 0.032 25874 2311 1 13 . 1 1 30 30 CYS H H 30 6.273 6.273 8.426 -2.153 25874 2312 1 13 . 1 1 31 31 HIS N N 31 118.519 118.519 121.239 -2.720 25874 2313 1 13 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.911 -1.846 25874 2314 1 13 . 1 1 31 31 HIS H H 31 7.120 7.120 8.629 -1.509 25874 2315 1 13 . 1 1 32 32 GLU N N 32 125.364 125.364 121.609 3.755 25874 2316 1 13 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.207 -0.511 25874 2317 1 13 . 1 1 32 32 GLU H H 32 7.986 7.986 8.288 -0.302 25874 2318 1 13 . 1 1 33 33 LYS N N 33 115.015 115.015 119.157 -4.142 25874 2319 1 13 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.377 -0.164 25874 2320 1 13 . 1 1 33 33 LYS H H 33 8.183 8.183 7.942 0.241 25874 2321 1 13 . 1 1 34 34 GLY N N 34 107.428 107.428 109.468 -2.040 25874 2322 1 13 . 1 1 34 34 GLY H H 34 6.624 6.624 7.672 -1.048 25874 2323 1 13 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.549 -2.913 25874 2324 1 13 . 1 1 36 36 GLY N N 36 109.389 109.389 106.490 2.899 25874 2325 1 13 . 1 1 36 36 GLY H H 36 3.873 3.873 8.425 -4.552 25874 2326 1 13 . 1 1 37 37 LYS N N 37 116.850 116.850 121.237 -4.387 25874 2327 1 13 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.555 -0.396 25874 2328 1 13 . 1 1 37 37 LYS H H 37 7.981 7.981 8.397 -0.416 25874 2329 1 13 . 1 1 38 38 ILE N N 38 128.778 128.778 122.574 6.204 25874 2330 1 13 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.366 -0.642 25874 2331 1 13 . 1 1 38 38 ILE H H 38 10.493 10.493 8.574 1.919 25874 2332 1 13 . 1 1 39 39 GLU N N 39 130.536 130.536 127.451 3.085 25874 2333 1 13 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.154 -0.136 25874 2334 1 13 . 1 1 39 39 GLU H H 39 8.595 8.595 9.098 -0.503 25874 2335 1 13 . 1 1 40 40 GLY N N 40 113.068 113.068 113.609 -0.541 25874 2336 1 13 . 1 1 40 40 GLY H H 40 9.115 9.115 8.462 0.653 25874 2337 1 13 . 1 1 41 41 PHE N N 41 121.942 121.942 121.523 0.419 25874 2338 1 13 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.312 -0.012 25874 2339 1 13 . 1 1 41 41 PHE H H 41 8.010 8.010 8.045 -0.035 25874 2340 1 13 . 1 1 42 42 GLY N N 42 114.942 114.942 109.808 5.134 25874 2341 1 13 . 1 1 42 42 GLY H H 42 5.768 5.768 6.472 -0.704 25874 2342 1 13 . 1 1 43 43 LYS N N 43 122.844 122.844 118.815 4.029 25874 2343 1 13 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.988 -0.686 25874 2344 1 13 . 1 1 43 43 LYS H H 43 8.884 8.884 8.421 0.463 25874 2345 1 13 . 1 1 44 44 GLU N N 44 115.043 115.043 119.519 -4.476 25874 2346 1 13 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.807 -0.763 25874 2347 1 13 . 1 1 44 44 GLU H H 44 7.923 7.923 8.065 -0.142 25874 2348 1 13 . 1 1 45 45 MET N N 45 118.080 118.080 118.163 -0.083 25874 2349 1 13 . 1 1 45 45 MET HA H 45 3.848 3.848 4.165 -0.317 25874 2350 1 13 . 1 1 45 45 MET H H 45 7.559 7.559 7.803 -0.244 25874 2351 1 13 . 1 1 46 46 ALA N N 46 122.871 122.871 120.365 2.506 25874 2352 1 13 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.670 0.290 25874 2353 1 13 . 1 1 46 46 ALA H H 46 7.907 7.907 7.376 0.531 25874 2354 1 13 . 1 1 47 47 HIS N N 47 113.174 113.174 115.366 -2.192 25874 2355 1 13 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.484 -1.767 25874 2356 1 13 . 1 1 47 47 HIS H H 47 6.721 6.721 8.322 -1.601 25874 2357 1 13 . 1 1 48 48 GLY N N 48 109.910 109.910 107.489 2.421 25874 2358 1 13 . 1 1 48 48 GLY H H 48 6.697 6.697 7.967 -1.270 25874 2359 1 13 . 1 1 49 49 LYS N N 49 125.155 125.155 122.032 3.123 25874 2360 1 13 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.208 -0.490 25874 2361 1 13 . 1 1 49 49 LYS H H 49 8.725 8.725 8.312 0.413 25874 2362 1 13 . 1 1 50 50 GLY N N 50 105.682 105.682 107.940 -2.258 25874 2363 1 13 . 1 1 50 50 GLY H H 50 8.455 8.455 7.893 0.562 25874 2364 1 13 . 1 1 51 51 CYS N N 51 110.903 110.903 117.688 -6.785 25874 2365 1 13 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.240 1.353 25874 2366 1 13 . 1 1 51 51 CYS H H 51 6.640 6.640 7.540 -0.900 25874 2367 1 13 . 1 1 52 52 LYS N N 52 120.482 120.482 120.247 0.235 25874 2368 1 13 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.184 -1.676 25874 2369 1 13 . 1 1 52 52 LYS H H 52 7.906 7.906 7.580 0.326 25874 2370 1 13 . 1 1 53 53 GLY N N 53 102.630 102.630 108.396 -5.766 25874 2371 1 13 . 1 1 53 53 GLY H H 53 8.549 8.549 8.014 0.535 25874 2372 1 13 . 1 1 54 54 CYS N N 54 120.890 120.890 119.756 1.134 25874 2373 1 13 . 1 1 54 54 CYS HA H 54 4.399 4.399 5.081 -0.682 25874 2374 1 13 . 1 1 54 54 CYS H H 54 6.584 6.584 8.168 -1.584 25874 2375 1 13 . 1 1 55 55 HIS N N 55 117.794 117.794 119.637 -1.843 25874 2376 1 13 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.725 -1.015 25874 2377 1 13 . 1 1 55 55 HIS H H 55 5.404 5.404 7.577 -2.172 25874 2378 1 13 . 1 1 56 56 GLU N N 56 116.823 116.823 120.550 -3.727 25874 2379 1 13 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.024 -0.395 25874 2380 1 13 . 1 1 56 56 GLU H H 56 7.969 7.969 8.387 -0.418 25874 2381 1 13 . 1 1 57 57 GLU N N 57 120.523 120.523 118.340 2.183 25874 2382 1 13 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.082 -0.061 25874 2383 1 13 . 1 1 57 57 GLU H H 57 7.485 7.485 7.923 -0.438 25874 2384 1 13 . 1 1 58 58 MET N N 58 115.336 115.336 116.488 -1.152 25874 2385 1 13 . 1 1 58 58 MET HA H 58 4.352 4.352 4.493 -0.141 25874 2386 1 13 . 1 1 58 58 MET H H 58 8.866 8.866 7.770 1.096 25874 2387 1 13 . 1 1 59 59 LYS N N 59 114.369 114.369 118.426 -4.057 25874 2388 1 13 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.027 -0.314 25874 2389 1 13 . 1 1 59 59 LYS H H 59 7.691 7.691 7.530 0.161 25874 2390 1 13 . 1 1 60 60 LYS N N 60 118.488 118.488 119.272 -0.784 25874 2391 1 13 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.490 -0.211 25874 2392 1 13 . 1 1 60 60 LYS H H 60 7.566 7.566 7.703 -0.137 25874 2393 1 13 . 1 1 61 61 GLY N N 61 103.494 103.494 110.063 -6.569 25874 2394 1 13 . 1 1 61 61 GLY H H 61 7.514 7.514 8.309 -0.795 25874 2395 1 13 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.703 -0.776 25874 2396 1 13 . 1 1 63 63 THR N N 63 109.032 109.032 114.718 -5.686 25874 2397 1 13 . 1 1 63 63 THR HA H 63 4.403 4.403 4.463 -0.060 25874 2398 1 13 . 1 1 63 63 THR H H 63 8.271 8.271 8.131 0.140 25874 2399 1 13 . 1 1 64 64 LYS N N 64 124.136 124.136 121.860 2.276 25874 2400 1 13 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.624 0.492 25874 2401 1 13 . 1 1 64 64 LYS H H 64 8.437 8.437 7.610 0.827 25874 2402 1 13 . 1 1 65 65 CYS N N 65 118.006 118.006 117.188 0.818 25874 2403 1 13 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.608 0.161 25874 2404 1 13 . 1 1 65 65 CYS H H 65 8.731 8.731 8.625 0.106 25874 2405 1 13 . 1 1 66 66 GLY N N 66 101.862 101.862 107.723 -5.861 25874 2406 1 13 . 1 1 66 66 GLY H H 66 8.809 8.809 8.107 0.702 25874 2407 1 13 . 1 1 67 67 GLU N N 67 116.476 116.476 118.980 -2.504 25874 2408 1 13 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.449 -0.288 25874 2409 1 13 . 1 1 67 67 GLU H H 67 7.694 7.694 7.573 0.121 25874 2410 1 13 . 1 1 68 68 CYS N N 68 114.694 114.694 116.945 -2.251 25874 2411 1 13 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.415 0.288 25874 2412 1 13 . 1 1 68 68 CYS H H 68 6.422 6.422 7.463 -1.041 25874 2413 1 13 . 1 1 69 69 HIS N N 69 117.752 117.752 119.701 -1.949 25874 2414 1 13 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.893 -2.152 25874 2415 1 13 . 1 1 69 69 HIS H H 69 6.901 6.901 7.933 -1.032 25874 2416 1 13 . 1 1 70 70 LYS N N 70 123.740 123.740 122.392 1.348 25874 2417 1 13 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.423 -0.183 25874 2418 1 13 . 1 1 70 70 LYS H H 70 7.214 7.214 7.764 -0.550 25874 2419 1 14 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.610 0.158 25874 2420 1 14 . 1 1 3 3 ASP N N 3 116.646 116.646 118.645 -1.999 25874 2421 1 14 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.478 0.092 25874 2422 1 14 . 1 1 3 3 ASP H H 3 7.252 7.252 7.983 -0.731 25874 2423 1 14 . 1 1 4 4 ILE N N 4 122.597 122.597 118.935 3.662 25874 2424 1 14 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.150 -0.376 25874 2425 1 14 . 1 1 4 4 ILE H H 4 8.202 8.202 8.127 0.075 25874 2426 1 14 . 1 1 5 5 VAL N N 5 127.035 127.035 124.256 2.779 25874 2427 1 14 . 1 1 5 5 VAL H H 5 8.390 8.390 8.169 0.221 25874 2428 1 14 . 1 1 6 6 PHE N N 6 129.504 129.504 125.609 3.895 25874 2429 1 14 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.726 0.353 25874 2430 1 14 . 1 1 6 6 PHE H H 6 9.545 9.545 8.335 1.210 25874 2431 1 14 . 1 1 7 7 LYS N N 7 125.467 125.467 124.351 1.116 25874 2432 1 14 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.292 0.165 25874 2433 1 14 . 1 1 7 7 LYS H H 7 8.850 8.850 8.813 0.037 25874 2434 1 14 . 1 1 8 8 ALA N N 8 124.878 124.878 128.549 -3.671 25874 2435 1 14 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.728 0.113 25874 2436 1 14 . 1 1 8 8 ALA H H 8 8.255 8.255 8.168 0.087 25874 2437 1 14 . 1 1 9 9 LYS N N 9 125.448 125.448 121.338 4.110 25874 2438 1 14 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.309 -0.336 25874 2439 1 14 . 1 1 9 9 LYS H H 9 10.288 10.288 8.789 1.499 25874 2440 1 14 . 1 1 10 10 ASN N N 10 113.783 113.783 116.390 -2.607 25874 2441 1 14 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.866 -0.613 25874 2442 1 14 . 1 1 10 10 ASN H H 10 8.773 8.773 8.035 0.738 25874 2443 1 14 . 1 1 11 11 GLY N N 11 110.396 110.396 107.787 2.609 25874 2444 1 14 . 1 1 11 11 GLY H H 11 6.968 6.968 7.461 -0.493 25874 2445 1 14 . 1 1 12 12 ASP N N 12 129.103 129.103 123.596 5.507 25874 2446 1 14 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.673 -0.268 25874 2447 1 14 . 1 1 12 12 ASP H H 12 7.962 7.962 8.434 -0.472 25874 2448 1 14 . 1 1 13 13 VAL N N 13 121.052 121.052 124.506 -3.454 25874 2449 1 14 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.447 -0.173 25874 2450 1 14 . 1 1 13 13 VAL H H 13 8.620 8.620 7.958 0.662 25874 2451 1 14 . 1 1 14 14 LYS N N 14 129.063 129.063 127.911 1.152 25874 2452 1 14 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.529 0.079 25874 2453 1 14 . 1 1 14 14 LYS H H 14 9.012 9.012 8.385 0.627 25874 2454 1 14 . 1 1 15 15 PHE N N 15 127.819 127.819 125.061 2.758 25874 2455 1 14 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.088 0.593 25874 2456 1 14 . 1 1 15 15 PHE H H 15 9.449 9.449 8.407 1.042 25874 2457 1 14 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.731 -0.161 25874 2458 1 14 . 1 1 17 17 HIS N N 17 132.614 132.614 126.041 6.573 25874 2459 1 14 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.785 -2.968 25874 2460 1 14 . 1 1 17 17 HIS H H 17 6.540 6.540 8.109 -1.569 25874 2461 1 14 . 1 1 18 18 LYS N N 18 118.133 118.133 119.760 -1.627 25874 2462 1 14 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.974 -1.398 25874 2463 1 14 . 1 1 18 18 LYS H H 18 7.325 7.325 8.343 -1.018 25874 2464 1 14 . 1 1 19 19 ALA N N 19 120.621 120.621 119.716 0.905 25874 2465 1 14 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.133 -0.737 25874 2466 1 14 . 1 1 19 19 ALA H H 19 7.014 7.014 7.990 -0.976 25874 2467 1 14 . 1 1 20 20 HIS N N 20 116.674 116.674 116.751 -0.077 25874 2468 1 14 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.364 -1.872 25874 2469 1 14 . 1 1 20 20 HIS H H 20 6.376 6.376 8.269 -1.893 25874 2470 1 14 . 1 1 21 21 GLN N N 21 117.448 117.448 116.570 0.878 25874 2471 1 14 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.162 -0.098 25874 2472 1 14 . 1 1 21 21 GLN H H 21 6.796 6.796 7.430 -0.634 25874 2473 1 14 . 1 1 22 22 LYS N N 22 115.279 115.279 117.679 -2.400 25874 2474 1 14 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.350 -0.334 25874 2475 1 14 . 1 1 22 22 LYS H H 22 6.578 6.578 7.889 -1.311 25874 2476 1 14 . 1 1 23 23 ALA N N 23 120.362 120.362 121.782 -1.420 25874 2477 1 14 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.295 -0.101 25874 2478 1 14 . 1 1 23 23 ALA H H 23 6.963 6.963 7.618 -0.655 25874 2479 1 14 . 1 1 24 24 VAL N N 24 120.608 120.608 119.384 1.224 25874 2480 1 14 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.462 0.135 25874 2481 1 14 . 1 1 24 24 VAL H H 24 8.369 8.369 7.540 0.829 25874 2482 1 14 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.492 0.282 25874 2483 1 14 . 1 1 26 26 ASP N N 26 117.853 117.853 120.825 -2.972 25874 2484 1 14 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.474 0.604 25874 2485 1 14 . 1 1 26 26 ASP H H 26 7.828 7.828 8.441 -0.613 25874 2486 1 14 . 1 1 27 27 CYS N N 27 123.776 123.776 124.719 -0.943 25874 2487 1 14 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.518 0.446 25874 2488 1 14 . 1 1 27 27 CYS H H 27 8.544 8.544 8.756 -0.212 25874 2489 1 14 . 1 1 28 28 LYS N N 28 114.260 114.260 121.423 -7.163 25874 2490 1 14 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.269 -0.772 25874 2491 1 14 . 1 1 28 28 LYS H H 28 8.062 8.062 8.133 -0.071 25874 2492 1 14 . 1 1 29 29 LYS N N 29 118.718 118.718 117.861 0.857 25874 2493 1 14 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.144 -0.111 25874 2494 1 14 . 1 1 29 29 LYS H H 29 7.751 7.751 7.941 -0.190 25874 2495 1 14 . 1 1 30 30 CYS N N 30 111.794 111.794 113.831 -2.037 25874 2496 1 14 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.500 0.140 25874 2497 1 14 . 1 1 30 30 CYS H H 30 6.273 6.273 8.449 -2.176 25874 2498 1 14 . 1 1 31 31 HIS N N 31 118.519 118.519 121.085 -2.566 25874 2499 1 14 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.877 -1.812 25874 2500 1 14 . 1 1 31 31 HIS H H 31 7.120 7.120 8.725 -1.605 25874 2501 1 14 . 1 1 32 32 GLU N N 32 125.364 125.364 123.293 2.071 25874 2502 1 14 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.264 -0.568 25874 2503 1 14 . 1 1 32 32 GLU H H 32 7.986 7.986 8.408 -0.422 25874 2504 1 14 . 1 1 33 33 LYS N N 33 115.015 115.015 119.470 -4.455 25874 2505 1 14 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.419 -0.206 25874 2506 1 14 . 1 1 33 33 LYS H H 33 8.183 8.183 7.872 0.311 25874 2507 1 14 . 1 1 34 34 GLY N N 34 107.428 107.428 109.291 -1.863 25874 2508 1 14 . 1 1 34 34 GLY H H 34 6.624 6.624 7.559 -0.935 25874 2509 1 14 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.432 -2.796 25874 2510 1 14 . 1 1 36 36 GLY N N 36 109.389 109.389 108.715 0.674 25874 2511 1 14 . 1 1 36 36 GLY H H 36 3.873 3.873 6.831 -2.958 25874 2512 1 14 . 1 1 37 37 LYS N N 37 116.850 116.850 119.962 -3.112 25874 2513 1 14 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.301 -0.142 25874 2514 1 14 . 1 1 37 37 LYS H H 37 7.981 7.981 8.344 -0.363 25874 2515 1 14 . 1 1 38 38 ILE N N 38 128.778 128.778 123.382 5.396 25874 2516 1 14 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.327 -0.603 25874 2517 1 14 . 1 1 38 38 ILE H H 38 10.493 10.493 8.490 2.003 25874 2518 1 14 . 1 1 39 39 GLU N N 39 130.536 130.536 128.770 1.766 25874 2519 1 14 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.242 -0.224 25874 2520 1 14 . 1 1 39 39 GLU H H 39 8.595 8.595 9.100 -0.505 25874 2521 1 14 . 1 1 40 40 GLY N N 40 113.068 113.068 114.388 -1.320 25874 2522 1 14 . 1 1 40 40 GLY H H 40 9.115 9.115 8.460 0.655 25874 2523 1 14 . 1 1 41 41 PHE N N 41 121.942 121.942 121.416 0.526 25874 2524 1 14 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.405 -0.105 25874 2525 1 14 . 1 1 41 41 PHE H H 41 8.010 8.010 7.798 0.212 25874 2526 1 14 . 1 1 42 42 GLY N N 42 114.942 114.942 108.590 6.352 25874 2527 1 14 . 1 1 42 42 GLY H H 42 5.768 5.768 6.326 -0.558 25874 2528 1 14 . 1 1 43 43 LYS N N 43 122.844 122.844 118.501 4.343 25874 2529 1 14 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.923 -0.621 25874 2530 1 14 . 1 1 43 43 LYS H H 43 8.884 8.884 8.379 0.505 25874 2531 1 14 . 1 1 44 44 GLU N N 44 115.043 115.043 119.829 -4.786 25874 2532 1 14 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.773 -0.729 25874 2533 1 14 . 1 1 44 44 GLU H H 44 7.923 7.923 7.947 -0.025 25874 2534 1 14 . 1 1 45 45 MET N N 45 118.080 118.080 118.512 -0.432 25874 2535 1 14 . 1 1 45 45 MET HA H 45 3.848 3.848 4.081 -0.233 25874 2536 1 14 . 1 1 45 45 MET H H 45 7.559 7.559 7.561 -0.002 25874 2537 1 14 . 1 1 46 46 ALA N N 46 122.871 122.871 120.111 2.760 25874 2538 1 14 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.691 0.269 25874 2539 1 14 . 1 1 46 46 ALA H H 46 7.907 7.907 7.307 0.600 25874 2540 1 14 . 1 1 47 47 HIS N N 47 113.174 113.174 115.993 -2.819 25874 2541 1 14 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.422 -1.705 25874 2542 1 14 . 1 1 47 47 HIS H H 47 6.721 6.721 8.108 -1.387 25874 2543 1 14 . 1 1 48 48 GLY N N 48 109.910 109.910 107.795 2.115 25874 2544 1 14 . 1 1 48 48 GLY H H 48 6.697 6.697 8.271 -1.574 25874 2545 1 14 . 1 1 49 49 LYS N N 49 125.155 125.155 121.069 4.086 25874 2546 1 14 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.176 -0.458 25874 2547 1 14 . 1 1 49 49 LYS H H 49 8.725 8.725 8.379 0.346 25874 2548 1 14 . 1 1 50 50 GLY N N 50 105.682 105.682 107.595 -1.913 25874 2549 1 14 . 1 1 50 50 GLY H H 50 8.455 8.455 8.127 0.328 25874 2550 1 14 . 1 1 51 51 CYS N N 51 110.903 110.903 117.326 -6.423 25874 2551 1 14 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.290 1.303 25874 2552 1 14 . 1 1 51 51 CYS H H 51 6.640 6.640 7.529 -0.889 25874 2553 1 14 . 1 1 52 52 LYS N N 52 120.482 120.482 120.571 -0.089 25874 2554 1 14 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.169 -1.661 25874 2555 1 14 . 1 1 52 52 LYS H H 52 7.906 7.906 7.552 0.354 25874 2556 1 14 . 1 1 53 53 GLY N N 53 102.630 102.630 107.657 -5.027 25874 2557 1 14 . 1 1 53 53 GLY H H 53 8.549 8.549 7.948 0.601 25874 2558 1 14 . 1 1 54 54 CYS N N 54 120.890 120.890 118.613 2.277 25874 2559 1 14 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.708 -0.309 25874 2560 1 14 . 1 1 54 54 CYS H H 54 6.584 6.584 7.820 -1.236 25874 2561 1 14 . 1 1 55 55 HIS N N 55 117.794 117.794 119.625 -1.831 25874 2562 1 14 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.816 -1.106 25874 2563 1 14 . 1 1 55 55 HIS H H 55 5.404 5.404 7.662 -2.258 25874 2564 1 14 . 1 1 56 56 GLU N N 56 116.823 116.823 120.522 -3.699 25874 2565 1 14 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.019 -0.390 25874 2566 1 14 . 1 1 56 56 GLU H H 56 7.969 7.969 8.619 -0.650 25874 2567 1 14 . 1 1 57 57 GLU N N 57 120.523 120.523 117.036 3.487 25874 2568 1 14 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.051 -0.030 25874 2569 1 14 . 1 1 57 57 GLU H H 57 7.485 7.485 7.929 -0.444 25874 2570 1 14 . 1 1 58 58 MET N N 58 115.336 115.336 115.245 0.091 25874 2571 1 14 . 1 1 58 58 MET HA H 58 4.352 4.352 4.508 -0.156 25874 2572 1 14 . 1 1 58 58 MET H H 58 8.866 8.866 7.797 1.069 25874 2573 1 14 . 1 1 59 59 LYS N N 59 114.369 114.369 117.237 -2.868 25874 2574 1 14 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.049 -0.336 25874 2575 1 14 . 1 1 59 59 LYS H H 59 7.691 7.691 8.185 -0.494 25874 2576 1 14 . 1 1 60 60 LYS N N 60 118.488 118.488 119.483 -0.995 25874 2577 1 14 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.538 -0.259 25874 2578 1 14 . 1 1 60 60 LYS H H 60 7.566 7.566 7.713 -0.147 25874 2579 1 14 . 1 1 61 61 GLY N N 61 103.494 103.494 110.680 -7.186 25874 2580 1 14 . 1 1 61 61 GLY H H 61 7.514 7.514 8.314 -0.800 25874 2581 1 14 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.553 -0.626 25874 2582 1 14 . 1 1 63 63 THR N N 63 109.032 109.032 114.866 -5.834 25874 2583 1 14 . 1 1 63 63 THR HA H 63 4.403 4.403 4.447 -0.044 25874 2584 1 14 . 1 1 63 63 THR H H 63 8.271 8.271 8.101 0.170 25874 2585 1 14 . 1 1 64 64 LYS N N 64 124.136 124.136 121.174 2.962 25874 2586 1 14 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.712 0.404 25874 2587 1 14 . 1 1 64 64 LYS H H 64 8.437 8.437 7.488 0.949 25874 2588 1 14 . 1 1 65 65 CYS N N 65 118.006 118.006 117.304 0.702 25874 2589 1 14 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.606 0.163 25874 2590 1 14 . 1 1 65 65 CYS H H 65 8.731 8.731 8.605 0.126 25874 2591 1 14 . 1 1 66 66 GLY N N 66 101.862 101.862 107.943 -6.081 25874 2592 1 14 . 1 1 66 66 GLY H H 66 8.809 8.809 8.436 0.373 25874 2593 1 14 . 1 1 67 67 GLU N N 67 116.476 116.476 120.219 -3.743 25874 2594 1 14 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.380 -0.219 25874 2595 1 14 . 1 1 67 67 GLU H H 67 7.694 7.694 7.653 0.041 25874 2596 1 14 . 1 1 68 68 CYS N N 68 114.694 114.694 116.850 -2.156 25874 2597 1 14 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.410 0.293 25874 2598 1 14 . 1 1 68 68 CYS H H 68 6.422 6.422 7.460 -1.038 25874 2599 1 14 . 1 1 69 69 HIS N N 69 117.752 117.752 119.642 -1.890 25874 2600 1 14 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.892 -2.152 25874 2601 1 14 . 1 1 69 69 HIS H H 69 6.901 6.901 7.917 -1.016 25874 2602 1 14 . 1 1 70 70 LYS N N 70 123.740 123.740 122.129 1.611 25874 2603 1 14 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.383 -0.143 25874 2604 1 14 . 1 1 70 70 LYS H H 70 7.214 7.214 7.658 -0.444 25874 2605 1 15 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.422 0.346 25874 2606 1 15 . 1 1 3 3 ASP N N 3 116.646 116.646 117.724 -1.078 25874 2607 1 15 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.455 0.115 25874 2608 1 15 . 1 1 3 3 ASP H H 3 7.252 7.252 7.961 -0.709 25874 2609 1 15 . 1 1 4 4 ILE N N 4 122.597 122.597 118.768 3.829 25874 2610 1 15 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.121 -0.347 25874 2611 1 15 . 1 1 4 4 ILE H H 4 8.202 8.202 8.175 0.027 25874 2612 1 15 . 1 1 5 5 VAL N N 5 127.035 127.035 124.349 2.686 25874 2613 1 15 . 1 1 5 5 VAL H H 5 8.390 8.390 8.213 0.177 25874 2614 1 15 . 1 1 6 6 PHE N N 6 129.504 129.504 126.001 3.503 25874 2615 1 15 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.707 0.372 25874 2616 1 15 . 1 1 6 6 PHE H H 6 9.545 9.545 8.199 1.346 25874 2617 1 15 . 1 1 7 7 LYS N N 7 125.467 125.467 124.714 0.753 25874 2618 1 15 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.366 0.091 25874 2619 1 15 . 1 1 7 7 LYS H H 7 8.850 8.850 8.852 -0.002 25874 2620 1 15 . 1 1 8 8 ALA N N 8 124.878 124.878 128.319 -3.441 25874 2621 1 15 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.717 0.124 25874 2622 1 15 . 1 1 8 8 ALA H H 8 8.255 8.255 8.236 0.019 25874 2623 1 15 . 1 1 9 9 LYS N N 9 125.448 125.448 121.950 3.498 25874 2624 1 15 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.285 -0.312 25874 2625 1 15 . 1 1 9 9 LYS H H 9 10.288 10.288 8.766 1.522 25874 2626 1 15 . 1 1 10 10 ASN N N 10 113.783 113.783 116.394 -2.611 25874 2627 1 15 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.861 -0.608 25874 2628 1 15 . 1 1 10 10 ASN H H 10 8.773 8.773 8.039 0.734 25874 2629 1 15 . 1 1 11 11 GLY N N 11 110.396 110.396 107.714 2.682 25874 2630 1 15 . 1 1 11 11 GLY H H 11 6.968 6.968 7.391 -0.423 25874 2631 1 15 . 1 1 12 12 ASP N N 12 129.103 129.103 122.968 6.135 25874 2632 1 15 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.687 -0.282 25874 2633 1 15 . 1 1 12 12 ASP H H 12 7.962 7.962 8.426 -0.464 25874 2634 1 15 . 1 1 13 13 VAL N N 13 121.052 121.052 123.241 -2.189 25874 2635 1 15 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.512 -0.238 25874 2636 1 15 . 1 1 13 13 VAL H H 13 8.620 8.620 8.012 0.608 25874 2637 1 15 . 1 1 14 14 LYS N N 14 129.063 129.063 127.858 1.205 25874 2638 1 15 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.538 0.070 25874 2639 1 15 . 1 1 14 14 LYS H H 14 9.012 9.012 8.511 0.501 25874 2640 1 15 . 1 1 15 15 PHE N N 15 127.819 127.819 124.957 2.862 25874 2641 1 15 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.088 0.593 25874 2642 1 15 . 1 1 15 15 PHE H H 15 9.449 9.449 8.399 1.050 25874 2643 1 15 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.692 -0.122 25874 2644 1 15 . 1 1 17 17 HIS N N 17 132.614 132.614 125.660 6.954 25874 2645 1 15 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.757 -2.940 25874 2646 1 15 . 1 1 17 17 HIS H H 17 6.540 6.540 8.010 -1.470 25874 2647 1 15 . 1 1 18 18 LYS N N 18 118.133 118.133 119.681 -1.548 25874 2648 1 15 . 1 1 18 18 LYS HA H 18 2.576 2.576 4.001 -1.425 25874 2649 1 15 . 1 1 18 18 LYS H H 18 7.325 7.325 8.391 -1.066 25874 2650 1 15 . 1 1 19 19 ALA N N 19 120.621 120.621 119.795 0.826 25874 2651 1 15 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.128 -0.732 25874 2652 1 15 . 1 1 19 19 ALA H H 19 7.014 7.014 7.965 -0.951 25874 2653 1 15 . 1 1 20 20 HIS N N 20 116.674 116.674 116.790 -0.116 25874 2654 1 15 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.360 -1.868 25874 2655 1 15 . 1 1 20 20 HIS H H 20 6.376 6.376 8.341 -1.965 25874 2656 1 15 . 1 1 21 21 GLN N N 21 117.448 117.448 117.024 0.424 25874 2657 1 15 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.147 -0.083 25874 2658 1 15 . 1 1 21 21 GLN H H 21 6.796 6.796 7.501 -0.705 25874 2659 1 15 . 1 1 22 22 LYS N N 22 115.279 115.279 118.204 -2.925 25874 2660 1 15 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.317 -0.301 25874 2661 1 15 . 1 1 22 22 LYS H H 22 6.578 6.578 7.933 -1.355 25874 2662 1 15 . 1 1 23 23 ALA N N 23 120.362 120.362 122.120 -1.758 25874 2663 1 15 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.350 -0.156 25874 2664 1 15 . 1 1 23 23 ALA H H 23 6.963 6.963 7.542 -0.579 25874 2665 1 15 . 1 1 24 24 VAL N N 24 120.608 120.608 120.192 0.416 25874 2666 1 15 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.482 0.115 25874 2667 1 15 . 1 1 24 24 VAL H H 24 8.369 8.369 7.684 0.685 25874 2668 1 15 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.306 0.468 25874 2669 1 15 . 1 1 26 26 ASP N N 26 117.853 117.853 119.430 -1.577 25874 2670 1 15 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.576 0.502 25874 2671 1 15 . 1 1 26 26 ASP H H 26 7.828 7.828 8.409 -0.581 25874 2672 1 15 . 1 1 27 27 CYS N N 27 123.776 123.776 124.595 -0.819 25874 2673 1 15 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.526 0.438 25874 2674 1 15 . 1 1 27 27 CYS H H 27 8.544 8.544 8.642 -0.098 25874 2675 1 15 . 1 1 28 28 LYS N N 28 114.260 114.260 121.408 -7.148 25874 2676 1 15 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.219 -0.722 25874 2677 1 15 . 1 1 28 28 LYS H H 28 8.062 8.062 8.516 -0.454 25874 2678 1 15 . 1 1 29 29 LYS N N 29 118.718 118.718 115.882 2.836 25874 2679 1 15 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.163 -0.130 25874 2680 1 15 . 1 1 29 29 LYS H H 29 7.751 7.751 7.989 -0.238 25874 2681 1 15 . 1 1 30 30 CYS N N 30 111.794 111.794 113.577 -1.783 25874 2682 1 15 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.514 0.126 25874 2683 1 15 . 1 1 30 30 CYS H H 30 6.273 6.273 8.453 -2.180 25874 2684 1 15 . 1 1 31 31 HIS N N 31 118.519 118.519 121.467 -2.948 25874 2685 1 15 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.878 -1.813 25874 2686 1 15 . 1 1 31 31 HIS H H 31 7.120 7.120 8.738 -1.618 25874 2687 1 15 . 1 1 32 32 GLU N N 32 125.364 125.364 121.902 3.462 25874 2688 1 15 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.231 -0.535 25874 2689 1 15 . 1 1 32 32 GLU H H 32 7.986 7.986 8.195 -0.209 25874 2690 1 15 . 1 1 33 33 LYS N N 33 115.015 115.015 119.758 -4.743 25874 2691 1 15 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.396 -0.183 25874 2692 1 15 . 1 1 33 33 LYS H H 33 8.183 8.183 7.941 0.241 25874 2693 1 15 . 1 1 34 34 GLY N N 34 107.428 107.428 109.502 -2.074 25874 2694 1 15 . 1 1 34 34 GLY H H 34 6.624 6.624 7.628 -1.004 25874 2695 1 15 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.571 -2.935 25874 2696 1 15 . 1 1 36 36 GLY N N 36 109.389 109.389 105.388 4.001 25874 2697 1 15 . 1 1 36 36 GLY H H 36 3.873 3.873 7.712 -3.839 25874 2698 1 15 . 1 1 37 37 LYS N N 37 116.850 116.850 120.109 -3.259 25874 2699 1 15 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.395 -0.236 25874 2700 1 15 . 1 1 37 37 LYS H H 37 7.981 7.981 8.318 -0.337 25874 2701 1 15 . 1 1 38 38 ILE N N 38 128.778 128.778 122.852 5.926 25874 2702 1 15 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.352 -0.628 25874 2703 1 15 . 1 1 38 38 ILE H H 38 10.493 10.493 8.568 1.925 25874 2704 1 15 . 1 1 39 39 GLU N N 39 130.536 130.536 127.022 3.514 25874 2705 1 15 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.201 -0.183 25874 2706 1 15 . 1 1 39 39 GLU H H 39 8.595 8.595 9.009 -0.414 25874 2707 1 15 . 1 1 40 40 GLY N N 40 113.068 113.068 113.089 -0.021 25874 2708 1 15 . 1 1 40 40 GLY H H 40 9.115 9.115 8.465 0.650 25874 2709 1 15 . 1 1 41 41 PHE N N 41 121.942 121.942 121.647 0.295 25874 2710 1 15 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.385 -0.085 25874 2711 1 15 . 1 1 41 41 PHE H H 41 8.010 8.010 8.067 -0.057 25874 2712 1 15 . 1 1 42 42 GLY N N 42 114.942 114.942 108.010 6.932 25874 2713 1 15 . 1 1 42 42 GLY H H 42 5.768 5.768 6.267 -0.499 25874 2714 1 15 . 1 1 43 43 LYS N N 43 122.844 122.844 118.191 4.653 25874 2715 1 15 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.886 -0.584 25874 2716 1 15 . 1 1 43 43 LYS H H 43 8.884 8.884 8.330 0.554 25874 2717 1 15 . 1 1 44 44 GLU N N 44 115.043 115.043 119.618 -4.575 25874 2718 1 15 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.770 -0.726 25874 2719 1 15 . 1 1 44 44 GLU H H 44 7.923 7.923 7.970 -0.047 25874 2720 1 15 . 1 1 45 45 MET N N 45 118.080 118.080 118.681 -0.601 25874 2721 1 15 . 1 1 45 45 MET HA H 45 3.848 3.848 4.129 -0.281 25874 2722 1 15 . 1 1 45 45 MET H H 45 7.559 7.559 7.567 -0.008 25874 2723 1 15 . 1 1 46 46 ALA N N 46 122.871 122.871 119.817 3.054 25874 2724 1 15 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.740 0.220 25874 2725 1 15 . 1 1 46 46 ALA H H 46 7.907 7.907 7.491 0.416 25874 2726 1 15 . 1 1 47 47 HIS N N 47 113.174 113.174 116.027 -2.853 25874 2727 1 15 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.460 -1.743 25874 2728 1 15 . 1 1 47 47 HIS H H 47 6.721 6.721 8.060 -1.339 25874 2729 1 15 . 1 1 48 48 GLY N N 48 109.910 109.910 107.798 2.112 25874 2730 1 15 . 1 1 48 48 GLY H H 48 6.697 6.697 8.291 -1.594 25874 2731 1 15 . 1 1 49 49 LYS N N 49 125.155 125.155 121.368 3.787 25874 2732 1 15 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.204 -0.486 25874 2733 1 15 . 1 1 49 49 LYS H H 49 8.725 8.725 8.355 0.370 25874 2734 1 15 . 1 1 50 50 GLY N N 50 105.682 105.682 107.929 -2.247 25874 2735 1 15 . 1 1 50 50 GLY H H 50 8.455 8.455 8.267 0.188 25874 2736 1 15 . 1 1 51 51 CYS N N 51 110.903 110.903 117.558 -6.655 25874 2737 1 15 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.301 1.292 25874 2738 1 15 . 1 1 51 51 CYS H H 51 6.640 6.640 7.545 -0.905 25874 2739 1 15 . 1 1 52 52 LYS N N 52 120.482 120.482 120.987 -0.505 25874 2740 1 15 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.128 -1.620 25874 2741 1 15 . 1 1 52 52 LYS H H 52 7.906 7.906 7.537 0.369 25874 2742 1 15 . 1 1 53 53 GLY N N 53 102.630 102.630 107.327 -4.697 25874 2743 1 15 . 1 1 53 53 GLY H H 53 8.549 8.549 7.972 0.577 25874 2744 1 15 . 1 1 54 54 CYS N N 54 120.890 120.890 118.409 2.481 25874 2745 1 15 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.532 -0.133 25874 2746 1 15 . 1 1 54 54 CYS H H 54 6.584 6.584 7.725 -1.141 25874 2747 1 15 . 1 1 55 55 HIS N N 55 117.794 117.794 119.620 -1.826 25874 2748 1 15 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.855 -1.145 25874 2749 1 15 . 1 1 55 55 HIS H H 55 5.404 5.404 7.719 -2.315 25874 2750 1 15 . 1 1 56 56 GLU N N 56 116.823 116.823 120.421 -3.598 25874 2751 1 15 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.023 -0.394 25874 2752 1 15 . 1 1 56 56 GLU H H 56 7.969 7.969 8.625 -0.656 25874 2753 1 15 . 1 1 57 57 GLU N N 57 120.523 120.523 117.755 2.768 25874 2754 1 15 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.052 -0.031 25874 2755 1 15 . 1 1 57 57 GLU H H 57 7.485 7.485 7.865 -0.380 25874 2756 1 15 . 1 1 58 58 MET N N 58 115.336 115.336 114.514 0.822 25874 2757 1 15 . 1 1 58 58 MET HA H 58 4.352 4.352 4.556 -0.204 25874 2758 1 15 . 1 1 58 58 MET H H 58 8.866 8.866 7.684 1.182 25874 2759 1 15 . 1 1 59 59 LYS N N 59 114.369 114.369 115.282 -0.913 25874 2760 1 15 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.073 -0.360 25874 2761 1 15 . 1 1 59 59 LYS H H 59 7.691 7.691 8.142 -0.451 25874 2762 1 15 . 1 1 60 60 LYS N N 60 118.488 118.488 119.733 -1.245 25874 2763 1 15 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.532 -0.253 25874 2764 1 15 . 1 1 60 60 LYS H H 60 7.566 7.566 7.760 -0.194 25874 2765 1 15 . 1 1 61 61 GLY N N 61 103.494 103.494 110.741 -7.247 25874 2766 1 15 . 1 1 61 61 GLY H H 61 7.514 7.514 8.258 -0.744 25874 2767 1 15 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.812 -0.885 25874 2768 1 15 . 1 1 63 63 THR N N 63 109.032 109.032 114.962 -5.930 25874 2769 1 15 . 1 1 63 63 THR HA H 63 4.403 4.403 4.475 -0.072 25874 2770 1 15 . 1 1 63 63 THR H H 63 8.271 8.271 8.186 0.085 25874 2771 1 15 . 1 1 64 64 LYS N N 64 124.136 124.136 121.622 2.514 25874 2772 1 15 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.679 0.437 25874 2773 1 15 . 1 1 64 64 LYS H H 64 8.437 8.437 7.743 0.694 25874 2774 1 15 . 1 1 65 65 CYS N N 65 118.006 118.006 117.300 0.706 25874 2775 1 15 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.615 0.153 25874 2776 1 15 . 1 1 65 65 CYS H H 65 8.731 8.731 8.727 0.004 25874 2777 1 15 . 1 1 66 66 GLY N N 66 101.862 101.862 107.701 -5.839 25874 2778 1 15 . 1 1 66 66 GLY H H 66 8.809 8.809 8.535 0.274 25874 2779 1 15 . 1 1 67 67 GLU N N 67 116.476 116.476 120.742 -4.266 25874 2780 1 15 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.432 -0.271 25874 2781 1 15 . 1 1 67 67 GLU H H 67 7.694 7.694 7.596 0.098 25874 2782 1 15 . 1 1 68 68 CYS N N 68 114.694 114.694 116.689 -1.995 25874 2783 1 15 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.414 0.289 25874 2784 1 15 . 1 1 68 68 CYS H H 68 6.422 6.422 7.487 -1.065 25874 2785 1 15 . 1 1 69 69 HIS N N 69 117.752 117.752 119.561 -1.809 25874 2786 1 15 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.903 -2.163 25874 2787 1 15 . 1 1 69 69 HIS H H 69 6.901 6.901 7.917 -1.016 25874 2788 1 15 . 1 1 70 70 LYS N N 70 123.740 123.740 122.085 1.655 25874 2789 1 15 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.417 -0.177 25874 2790 1 15 . 1 1 70 70 LYS H H 70 7.214 7.214 7.674 -0.460 25874 2791 1 16 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.603 0.166 25874 2792 1 16 . 1 1 3 3 ASP N N 3 116.646 116.646 120.000 -3.354 25874 2793 1 16 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.489 0.081 25874 2794 1 16 . 1 1 3 3 ASP H H 3 7.252 7.252 8.106 -0.854 25874 2795 1 16 . 1 1 4 4 ILE N N 4 122.597 122.597 119.293 3.304 25874 2796 1 16 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.176 -0.402 25874 2797 1 16 . 1 1 4 4 ILE H H 4 8.202 8.202 8.179 0.023 25874 2798 1 16 . 1 1 5 5 VAL N N 5 127.035 127.035 123.873 3.162 25874 2799 1 16 . 1 1 5 5 VAL H H 5 8.390 8.390 8.126 0.264 25874 2800 1 16 . 1 1 6 6 PHE N N 6 129.504 129.504 125.961 3.543 25874 2801 1 16 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.738 0.341 25874 2802 1 16 . 1 1 6 6 PHE H H 6 9.545 9.545 8.329 1.216 25874 2803 1 16 . 1 1 7 7 LYS N N 7 125.467 125.467 126.175 -0.708 25874 2804 1 16 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.407 0.050 25874 2805 1 16 . 1 1 7 7 LYS H H 7 8.850 8.850 8.695 0.155 25874 2806 1 16 . 1 1 8 8 ALA N N 8 124.878 124.878 127.114 -2.236 25874 2807 1 16 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.734 0.107 25874 2808 1 16 . 1 1 8 8 ALA H H 8 8.255 8.255 8.198 0.057 25874 2809 1 16 . 1 1 9 9 LYS N N 9 125.448 125.448 121.648 3.800 25874 2810 1 16 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.279 -0.306 25874 2811 1 16 . 1 1 9 9 LYS H H 9 10.288 10.288 8.658 1.630 25874 2812 1 16 . 1 1 10 10 ASN N N 10 113.783 113.783 117.081 -3.298 25874 2813 1 16 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.811 -0.558 25874 2814 1 16 . 1 1 10 10 ASN H H 10 8.773 8.773 7.986 0.787 25874 2815 1 16 . 1 1 11 11 GLY N N 11 110.396 110.396 108.100 2.296 25874 2816 1 16 . 1 1 11 11 GLY H H 11 6.968 6.968 7.484 -0.516 25874 2817 1 16 . 1 1 12 12 ASP N N 12 129.103 129.103 123.214 5.889 25874 2818 1 16 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.706 -0.301 25874 2819 1 16 . 1 1 12 12 ASP H H 12 7.962 7.962 8.383 -0.421 25874 2820 1 16 . 1 1 13 13 VAL N N 13 121.052 121.052 126.090 -5.038 25874 2821 1 16 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.453 -0.179 25874 2822 1 16 . 1 1 13 13 VAL H H 13 8.620 8.620 8.133 0.487 25874 2823 1 16 . 1 1 14 14 LYS N N 14 129.063 129.063 127.619 1.444 25874 2824 1 16 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.596 0.012 25874 2825 1 16 . 1 1 14 14 LYS H H 14 9.012 9.012 8.245 0.767 25874 2826 1 16 . 1 1 15 15 PHE N N 15 127.819 127.819 125.190 2.629 25874 2827 1 16 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.118 0.563 25874 2828 1 16 . 1 1 15 15 PHE H H 15 9.449 9.449 8.572 0.877 25874 2829 1 16 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.532 0.038 25874 2830 1 16 . 1 1 17 17 HIS N N 17 132.614 132.614 125.344 7.270 25874 2831 1 16 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.744 -2.927 25874 2832 1 16 . 1 1 17 17 HIS H H 17 6.540 6.540 8.085 -1.545 25874 2833 1 16 . 1 1 18 18 LYS N N 18 118.133 118.133 120.289 -2.156 25874 2834 1 16 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.824 -1.248 25874 2835 1 16 . 1 1 18 18 LYS H H 18 7.325 7.325 8.556 -1.231 25874 2836 1 16 . 1 1 19 19 ALA N N 19 120.621 120.621 121.635 -1.014 25874 2837 1 16 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.040 -0.644 25874 2838 1 16 . 1 1 19 19 ALA H H 19 7.014 7.014 8.259 -1.245 25874 2839 1 16 . 1 1 20 20 HIS N N 20 116.674 116.674 115.963 0.711 25874 2840 1 16 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.418 -1.926 25874 2841 1 16 . 1 1 20 20 HIS H H 20 6.376 6.376 7.900 -1.524 25874 2842 1 16 . 1 1 21 21 GLN N N 21 117.448 117.448 116.819 0.629 25874 2843 1 16 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.168 -0.104 25874 2844 1 16 . 1 1 21 21 GLN H H 21 6.796 6.796 8.187 -1.391 25874 2845 1 16 . 1 1 22 22 LYS N N 22 115.279 115.279 117.779 -2.500 25874 2846 1 16 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.316 -0.300 25874 2847 1 16 . 1 1 22 22 LYS H H 22 6.578 6.578 7.559 -0.981 25874 2848 1 16 . 1 1 23 23 ALA N N 23 120.362 120.362 121.902 -1.540 25874 2849 1 16 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.277 -0.083 25874 2850 1 16 . 1 1 23 23 ALA H H 23 6.963 6.963 7.530 -0.567 25874 2851 1 16 . 1 1 24 24 VAL N N 24 120.608 120.608 118.983 1.625 25874 2852 1 16 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.475 0.122 25874 2853 1 16 . 1 1 24 24 VAL H H 24 8.369 8.369 7.806 0.563 25874 2854 1 16 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.513 0.261 25874 2855 1 16 . 1 1 26 26 ASP N N 26 117.853 117.853 120.880 -3.027 25874 2856 1 16 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.504 0.574 25874 2857 1 16 . 1 1 26 26 ASP H H 26 7.828 7.828 8.501 -0.673 25874 2858 1 16 . 1 1 27 27 CYS N N 27 123.776 123.776 125.587 -1.811 25874 2859 1 16 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.454 0.510 25874 2860 1 16 . 1 1 27 27 CYS H H 27 8.544 8.544 8.750 -0.206 25874 2861 1 16 . 1 1 28 28 LYS N N 28 114.260 114.260 120.713 -6.453 25874 2862 1 16 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.284 -0.787 25874 2863 1 16 . 1 1 28 28 LYS H H 28 8.062 8.062 8.213 -0.151 25874 2864 1 16 . 1 1 29 29 LYS N N 29 118.718 118.718 117.288 1.430 25874 2865 1 16 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.141 -0.108 25874 2866 1 16 . 1 1 29 29 LYS H H 29 7.751 7.751 7.618 0.133 25874 2867 1 16 . 1 1 30 30 CYS N N 30 111.794 111.794 113.760 -1.966 25874 2868 1 16 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.495 0.145 25874 2869 1 16 . 1 1 30 30 CYS H H 30 6.273 6.273 8.446 -2.173 25874 2870 1 16 . 1 1 31 31 HIS N N 31 118.519 118.519 121.268 -2.749 25874 2871 1 16 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.880 -1.815 25874 2872 1 16 . 1 1 31 31 HIS H H 31 7.120 7.120 8.710 -1.590 25874 2873 1 16 . 1 1 32 32 GLU N N 32 125.364 125.364 122.553 2.811 25874 2874 1 16 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.245 -0.549 25874 2875 1 16 . 1 1 32 32 GLU H H 32 7.986 7.986 8.205 -0.219 25874 2876 1 16 . 1 1 33 33 LYS N N 33 115.015 115.015 119.723 -4.708 25874 2877 1 16 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.402 -0.189 25874 2878 1 16 . 1 1 33 33 LYS H H 33 8.183 8.183 7.998 0.185 25874 2879 1 16 . 1 1 34 34 GLY N N 34 107.428 107.428 109.309 -1.881 25874 2880 1 16 . 1 1 34 34 GLY H H 34 6.624 6.624 7.602 -0.978 25874 2881 1 16 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.499 -2.863 25874 2882 1 16 . 1 1 36 36 GLY N N 36 109.389 109.389 108.156 1.233 25874 2883 1 16 . 1 1 36 36 GLY H H 36 3.873 3.873 7.194 -3.321 25874 2884 1 16 . 1 1 37 37 LYS N N 37 116.850 116.850 121.275 -4.425 25874 2885 1 16 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.538 -0.379 25874 2886 1 16 . 1 1 37 37 LYS H H 37 7.981 7.981 8.392 -0.411 25874 2887 1 16 . 1 1 38 38 ILE N N 38 128.778 128.778 122.944 5.834 25874 2888 1 16 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.369 -0.645 25874 2889 1 16 . 1 1 38 38 ILE H H 38 10.493 10.493 8.609 1.884 25874 2890 1 16 . 1 1 39 39 GLU N N 39 130.536 130.536 127.520 3.016 25874 2891 1 16 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.163 -0.145 25874 2892 1 16 . 1 1 39 39 GLU H H 39 8.595 8.595 9.137 -0.542 25874 2893 1 16 . 1 1 40 40 GLY N N 40 113.068 113.068 113.300 -0.232 25874 2894 1 16 . 1 1 40 40 GLY H H 40 9.115 9.115 8.567 0.548 25874 2895 1 16 . 1 1 41 41 PHE N N 41 121.942 121.942 121.666 0.276 25874 2896 1 16 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.341 -0.041 25874 2897 1 16 . 1 1 41 41 PHE H H 41 8.010 8.010 8.023 -0.013 25874 2898 1 16 . 1 1 42 42 GLY N N 42 114.942 114.942 109.648 5.294 25874 2899 1 16 . 1 1 42 42 GLY H H 42 5.768 5.768 6.461 -0.693 25874 2900 1 16 . 1 1 43 43 LYS N N 43 122.844 122.844 118.665 4.179 25874 2901 1 16 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.971 -0.669 25874 2902 1 16 . 1 1 43 43 LYS H H 43 8.884 8.884 8.424 0.460 25874 2903 1 16 . 1 1 44 44 GLU N N 44 115.043 115.043 119.692 -4.649 25874 2904 1 16 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.777 -0.733 25874 2905 1 16 . 1 1 44 44 GLU H H 44 7.923 7.923 7.983 -0.060 25874 2906 1 16 . 1 1 45 45 MET N N 45 118.080 118.080 118.429 -0.349 25874 2907 1 16 . 1 1 45 45 MET HA H 45 3.848 3.848 4.111 -0.263 25874 2908 1 16 . 1 1 45 45 MET H H 45 7.559 7.559 7.623 -0.064 25874 2909 1 16 . 1 1 46 46 ALA N N 46 122.871 122.871 120.162 2.709 25874 2910 1 16 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.674 0.286 25874 2911 1 16 . 1 1 46 46 ALA H H 46 7.907 7.907 7.372 0.535 25874 2912 1 16 . 1 1 47 47 HIS N N 47 113.174 113.174 115.820 -2.646 25874 2913 1 16 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.467 -1.750 25874 2914 1 16 . 1 1 47 47 HIS H H 47 6.721 6.721 8.175 -1.454 25874 2915 1 16 . 1 1 48 48 GLY N N 48 109.910 109.910 107.652 2.258 25874 2916 1 16 . 1 1 48 48 GLY H H 48 6.697 6.697 8.213 -1.516 25874 2917 1 16 . 1 1 49 49 LYS N N 49 125.155 125.155 120.027 5.128 25874 2918 1 16 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.197 -0.479 25874 2919 1 16 . 1 1 49 49 LYS H H 49 8.725 8.725 8.304 0.421 25874 2920 1 16 . 1 1 50 50 GLY N N 50 105.682 105.682 108.570 -2.888 25874 2921 1 16 . 1 1 50 50 GLY H H 50 8.455 8.455 7.986 0.469 25874 2922 1 16 . 1 1 51 51 CYS N N 51 110.903 110.903 117.900 -6.997 25874 2923 1 16 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.248 1.345 25874 2924 1 16 . 1 1 51 51 CYS H H 51 6.640 6.640 7.485 -0.845 25874 2925 1 16 . 1 1 52 52 LYS N N 52 120.482 120.482 120.935 -0.453 25874 2926 1 16 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.114 -1.606 25874 2927 1 16 . 1 1 52 52 LYS H H 52 7.906 7.906 7.528 0.378 25874 2928 1 16 . 1 1 53 53 GLY N N 53 102.630 102.630 107.713 -5.083 25874 2929 1 16 . 1 1 53 53 GLY H H 53 8.549 8.549 8.054 0.495 25874 2930 1 16 . 1 1 54 54 CYS N N 54 120.890 120.890 119.040 1.850 25874 2931 1 16 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.589 -0.190 25874 2932 1 16 . 1 1 54 54 CYS H H 54 6.584 6.584 7.839 -1.255 25874 2933 1 16 . 1 1 55 55 HIS N N 55 117.794 117.794 119.593 -1.799 25874 2934 1 16 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.842 -1.132 25874 2935 1 16 . 1 1 55 55 HIS H H 55 5.404 5.404 7.613 -2.209 25874 2936 1 16 . 1 1 56 56 GLU N N 56 116.823 116.823 120.519 -3.696 25874 2937 1 16 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.035 -0.406 25874 2938 1 16 . 1 1 56 56 GLU H H 56 7.969 7.969 8.504 -0.535 25874 2939 1 16 . 1 1 57 57 GLU N N 57 120.523 120.523 117.740 2.783 25874 2940 1 16 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.047 -0.026 25874 2941 1 16 . 1 1 57 57 GLU H H 57 7.485 7.485 7.861 -0.376 25874 2942 1 16 . 1 1 58 58 MET N N 58 115.336 115.336 114.518 0.818 25874 2943 1 16 . 1 1 58 58 MET HA H 58 4.352 4.352 4.560 -0.208 25874 2944 1 16 . 1 1 58 58 MET H H 58 8.866 8.866 7.612 1.254 25874 2945 1 16 . 1 1 59 59 LYS N N 59 114.369 114.369 117.013 -2.644 25874 2946 1 16 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.051 -0.338 25874 2947 1 16 . 1 1 59 59 LYS H H 59 7.691 7.691 8.182 -0.491 25874 2948 1 16 . 1 1 60 60 LYS N N 60 118.488 118.488 119.659 -1.171 25874 2949 1 16 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.569 -0.290 25874 2950 1 16 . 1 1 60 60 LYS H H 60 7.566 7.566 7.815 -0.249 25874 2951 1 16 . 1 1 61 61 GLY N N 61 103.494 103.494 111.119 -7.625 25874 2952 1 16 . 1 1 61 61 GLY H H 61 7.514 7.514 8.266 -0.752 25874 2953 1 16 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.834 -0.907 25874 2954 1 16 . 1 1 63 63 THR N N 63 109.032 109.032 115.131 -6.099 25874 2955 1 16 . 1 1 63 63 THR HA H 63 4.403 4.403 4.472 -0.069 25874 2956 1 16 . 1 1 63 63 THR H H 63 8.271 8.271 8.180 0.091 25874 2957 1 16 . 1 1 64 64 LYS N N 64 124.136 124.136 121.715 2.421 25874 2958 1 16 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.685 0.431 25874 2959 1 16 . 1 1 64 64 LYS H H 64 8.437 8.437 7.519 0.918 25874 2960 1 16 . 1 1 65 65 CYS N N 65 118.006 118.006 117.200 0.806 25874 2961 1 16 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.607 0.162 25874 2962 1 16 . 1 1 65 65 CYS H H 65 8.731 8.731 8.630 0.101 25874 2963 1 16 . 1 1 66 66 GLY N N 66 101.862 101.862 107.629 -5.767 25874 2964 1 16 . 1 1 66 66 GLY H H 66 8.809 8.809 8.192 0.617 25874 2965 1 16 . 1 1 67 67 GLU N N 67 116.476 116.476 119.017 -2.541 25874 2966 1 16 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.414 -0.253 25874 2967 1 16 . 1 1 67 67 GLU H H 67 7.694 7.694 7.548 0.146 25874 2968 1 16 . 1 1 68 68 CYS N N 68 114.694 114.694 116.902 -2.208 25874 2969 1 16 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.403 0.300 25874 2970 1 16 . 1 1 68 68 CYS H H 68 6.422 6.422 7.458 -1.036 25874 2971 1 16 . 1 1 69 69 HIS N N 69 117.752 117.752 119.773 -2.021 25874 2972 1 16 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.889 -2.149 25874 2973 1 16 . 1 1 69 69 HIS H H 69 6.901 6.901 7.921 -1.020 25874 2974 1 16 . 1 1 70 70 LYS N N 70 123.740 123.740 122.541 1.199 25874 2975 1 16 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.406 -0.166 25874 2976 1 16 . 1 1 70 70 LYS H H 70 7.214 7.214 7.773 -0.559 25874 2977 1 17 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.391 0.377 25874 2978 1 17 . 1 1 3 3 ASP N N 3 116.646 116.646 119.093 -2.447 25874 2979 1 17 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.498 0.072 25874 2980 1 17 . 1 1 3 3 ASP H H 3 7.252 7.252 7.968 -0.716 25874 2981 1 17 . 1 1 4 4 ILE N N 4 122.597 122.597 118.815 3.782 25874 2982 1 17 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.149 -0.375 25874 2983 1 17 . 1 1 4 4 ILE H H 4 8.202 8.202 8.046 0.156 25874 2984 1 17 . 1 1 5 5 VAL N N 5 127.035 127.035 124.326 2.709 25874 2985 1 17 . 1 1 5 5 VAL H H 5 8.390 8.390 8.193 0.197 25874 2986 1 17 . 1 1 6 6 PHE N N 6 129.504 129.504 126.238 3.266 25874 2987 1 17 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.770 0.309 25874 2988 1 17 . 1 1 6 6 PHE H H 6 9.545 9.545 8.348 1.197 25874 2989 1 17 . 1 1 7 7 LYS N N 7 125.467 125.467 125.411 0.056 25874 2990 1 17 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.412 0.045 25874 2991 1 17 . 1 1 7 7 LYS H H 7 8.850 8.850 8.774 0.076 25874 2992 1 17 . 1 1 8 8 ALA N N 8 124.878 124.878 128.142 -3.264 25874 2993 1 17 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.612 0.229 25874 2994 1 17 . 1 1 8 8 ALA H H 8 8.255 8.255 8.225 0.030 25874 2995 1 17 . 1 1 9 9 LYS N N 9 125.448 125.448 122.088 3.360 25874 2996 1 17 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.268 -0.295 25874 2997 1 17 . 1 1 9 9 LYS H H 9 10.288 10.288 8.739 1.549 25874 2998 1 17 . 1 1 10 10 ASN N N 10 113.783 113.783 116.540 -2.757 25874 2999 1 17 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.828 -0.575 25874 3000 1 17 . 1 1 10 10 ASN H H 10 8.773 8.773 7.960 0.813 25874 3001 1 17 . 1 1 11 11 GLY N N 11 110.396 110.396 107.688 2.708 25874 3002 1 17 . 1 1 11 11 GLY H H 11 6.968 6.968 7.423 -0.455 25874 3003 1 17 . 1 1 12 12 ASP N N 12 129.103 129.103 123.015 6.088 25874 3004 1 17 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.737 -0.332 25874 3005 1 17 . 1 1 12 12 ASP H H 12 7.962 7.962 8.373 -0.411 25874 3006 1 17 . 1 1 13 13 VAL N N 13 121.052 121.052 125.307 -4.255 25874 3007 1 17 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.492 -0.218 25874 3008 1 17 . 1 1 13 13 VAL H H 13 8.620 8.620 8.068 0.552 25874 3009 1 17 . 1 1 14 14 LYS N N 14 129.063 129.063 128.037 1.026 25874 3010 1 17 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.766 -0.158 25874 3011 1 17 . 1 1 14 14 LYS H H 14 9.012 9.012 8.508 0.504 25874 3012 1 17 . 1 1 15 15 PHE N N 15 127.819 127.819 124.053 3.766 25874 3013 1 17 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.114 0.567 25874 3014 1 17 . 1 1 15 15 PHE H H 15 9.449 9.449 8.588 0.861 25874 3015 1 17 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.587 -0.017 25874 3016 1 17 . 1 1 17 17 HIS N N 17 132.614 132.614 125.994 6.620 25874 3017 1 17 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.825 -3.008 25874 3018 1 17 . 1 1 17 17 HIS H H 17 6.540 6.540 8.361 -1.821 25874 3019 1 17 . 1 1 18 18 LYS N N 18 118.133 118.133 119.828 -1.695 25874 3020 1 17 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.815 -1.239 25874 3021 1 17 . 1 1 18 18 LYS H H 18 7.325 7.325 8.460 -1.135 25874 3022 1 17 . 1 1 19 19 ALA N N 19 120.621 120.621 121.611 -0.990 25874 3023 1 17 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.038 -0.642 25874 3024 1 17 . 1 1 19 19 ALA H H 19 7.014 7.014 8.283 -1.269 25874 3025 1 17 . 1 1 20 20 HIS N N 20 116.674 116.674 116.324 0.350 25874 3026 1 17 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.383 -1.891 25874 3027 1 17 . 1 1 20 20 HIS H H 20 6.376 6.376 7.898 -1.522 25874 3028 1 17 . 1 1 21 21 GLN N N 21 117.448 117.448 116.591 0.857 25874 3029 1 17 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.100 -0.036 25874 3030 1 17 . 1 1 21 21 GLN H H 21 6.796 6.796 8.243 -1.447 25874 3031 1 17 . 1 1 22 22 LYS N N 22 115.279 115.279 117.530 -2.251 25874 3032 1 17 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.317 -0.301 25874 3033 1 17 . 1 1 22 22 LYS H H 22 6.578 6.578 7.621 -1.043 25874 3034 1 17 . 1 1 23 23 ALA N N 23 120.362 120.362 121.980 -1.618 25874 3035 1 17 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.293 -0.099 25874 3036 1 17 . 1 1 23 23 ALA H H 23 6.963 6.963 7.562 -0.599 25874 3037 1 17 . 1 1 24 24 VAL N N 24 120.608 120.608 119.102 1.506 25874 3038 1 17 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.541 0.056 25874 3039 1 17 . 1 1 24 24 VAL H H 24 8.369 8.369 8.187 0.182 25874 3040 1 17 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.574 0.200 25874 3041 1 17 . 1 1 26 26 ASP N N 26 117.853 117.853 120.857 -3.004 25874 3042 1 17 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.470 0.608 25874 3043 1 17 . 1 1 26 26 ASP H H 26 7.828 7.828 8.456 -0.628 25874 3044 1 17 . 1 1 27 27 CYS N N 27 123.776 123.776 124.370 -0.594 25874 3045 1 17 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.486 0.478 25874 3046 1 17 . 1 1 27 27 CYS H H 27 8.544 8.544 8.678 -0.134 25874 3047 1 17 . 1 1 28 28 LYS N N 28 114.260 114.260 121.283 -7.023 25874 3048 1 17 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.218 -0.721 25874 3049 1 17 . 1 1 28 28 LYS H H 28 8.062 8.062 8.018 0.044 25874 3050 1 17 . 1 1 29 29 LYS N N 29 118.718 118.718 116.027 2.691 25874 3051 1 17 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.166 -0.133 25874 3052 1 17 . 1 1 29 29 LYS H H 29 7.751 7.751 8.033 -0.282 25874 3053 1 17 . 1 1 30 30 CYS N N 30 111.794 111.794 113.678 -1.884 25874 3054 1 17 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.456 0.184 25874 3055 1 17 . 1 1 30 30 CYS H H 30 6.273 6.273 8.351 -2.078 25874 3056 1 17 . 1 1 31 31 HIS N N 31 118.519 118.519 120.653 -2.134 25874 3057 1 17 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.917 -1.852 25874 3058 1 17 . 1 1 31 31 HIS H H 31 7.120 7.120 8.581 -1.461 25874 3059 1 17 . 1 1 32 32 GLU N N 32 125.364 125.364 121.241 4.123 25874 3060 1 17 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.199 -0.503 25874 3061 1 17 . 1 1 32 32 GLU H H 32 7.986 7.986 8.335 -0.349 25874 3062 1 17 . 1 1 33 33 LYS N N 33 115.015 115.015 119.256 -4.241 25874 3063 1 17 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.363 -0.150 25874 3064 1 17 . 1 1 33 33 LYS H H 33 8.183 8.183 8.008 0.175 25874 3065 1 17 . 1 1 34 34 GLY N N 34 107.428 107.428 109.429 -2.001 25874 3066 1 17 . 1 1 34 34 GLY H H 34 6.624 6.624 7.644 -1.020 25874 3067 1 17 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.636 -3.000 25874 3068 1 17 . 1 1 36 36 GLY N N 36 109.389 109.389 107.457 1.932 25874 3069 1 17 . 1 1 36 36 GLY H H 36 3.873 3.873 7.672 -3.799 25874 3070 1 17 . 1 1 37 37 LYS N N 37 116.850 116.850 119.493 -2.643 25874 3071 1 17 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.312 -0.153 25874 3072 1 17 . 1 1 37 37 LYS H H 37 7.981 7.981 8.342 -0.361 25874 3073 1 17 . 1 1 38 38 ILE N N 38 128.778 128.778 121.377 7.401 25874 3074 1 17 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.330 -0.606 25874 3075 1 17 . 1 1 38 38 ILE H H 38 10.493 10.493 8.399 2.094 25874 3076 1 17 . 1 1 39 39 GLU N N 39 130.536 130.536 128.051 2.485 25874 3077 1 17 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.157 -0.139 25874 3078 1 17 . 1 1 39 39 GLU H H 39 8.595 8.595 9.117 -0.522 25874 3079 1 17 . 1 1 40 40 GLY N N 40 113.068 113.068 114.095 -1.027 25874 3080 1 17 . 1 1 40 40 GLY H H 40 9.115 9.115 8.529 0.586 25874 3081 1 17 . 1 1 41 41 PHE N N 41 121.942 121.942 121.745 0.197 25874 3082 1 17 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.358 -0.058 25874 3083 1 17 . 1 1 41 41 PHE H H 41 8.010 8.010 8.028 -0.018 25874 3084 1 17 . 1 1 42 42 GLY N N 42 114.942 114.942 108.328 6.614 25874 3085 1 17 . 1 1 42 42 GLY H H 42 5.768 5.768 6.290 -0.522 25874 3086 1 17 . 1 1 43 43 LYS N N 43 122.844 122.844 118.123 4.721 25874 3087 1 17 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.894 -0.592 25874 3088 1 17 . 1 1 43 43 LYS H H 43 8.884 8.884 8.316 0.568 25874 3089 1 17 . 1 1 44 44 GLU N N 44 115.043 115.043 119.547 -4.504 25874 3090 1 17 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.787 -0.743 25874 3091 1 17 . 1 1 44 44 GLU H H 44 7.923 7.923 7.991 -0.068 25874 3092 1 17 . 1 1 45 45 MET N N 45 118.080 118.080 118.551 -0.471 25874 3093 1 17 . 1 1 45 45 MET HA H 45 3.848 3.848 4.154 -0.306 25874 3094 1 17 . 1 1 45 45 MET H H 45 7.559 7.559 7.551 0.008 25874 3095 1 17 . 1 1 46 46 ALA N N 46 122.871 122.871 119.912 2.959 25874 3096 1 17 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.752 0.208 25874 3097 1 17 . 1 1 46 46 ALA H H 46 7.907 7.907 7.535 0.372 25874 3098 1 17 . 1 1 47 47 HIS N N 47 113.174 113.174 115.893 -2.719 25874 3099 1 17 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.492 -1.775 25874 3100 1 17 . 1 1 47 47 HIS H H 47 6.721 6.721 7.970 -1.249 25874 3101 1 17 . 1 1 48 48 GLY N N 48 109.910 109.910 107.298 2.612 25874 3102 1 17 . 1 1 48 48 GLY H H 48 6.697 6.697 8.193 -1.496 25874 3103 1 17 . 1 1 49 49 LYS N N 49 125.155 125.155 121.356 3.799 25874 3104 1 17 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.181 -0.463 25874 3105 1 17 . 1 1 49 49 LYS H H 49 8.725 8.725 8.290 0.435 25874 3106 1 17 . 1 1 50 50 GLY N N 50 105.682 105.682 108.868 -3.186 25874 3107 1 17 . 1 1 50 50 GLY H H 50 8.455 8.455 8.233 0.222 25874 3108 1 17 . 1 1 51 51 CYS N N 51 110.903 110.903 117.666 -6.763 25874 3109 1 17 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.312 1.281 25874 3110 1 17 . 1 1 51 51 CYS H H 51 6.640 6.640 7.530 -0.890 25874 3111 1 17 . 1 1 52 52 LYS N N 52 120.482 120.482 121.317 -0.835 25874 3112 1 17 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.082 -1.574 25874 3113 1 17 . 1 1 52 52 LYS H H 52 7.906 7.906 7.521 0.385 25874 3114 1 17 . 1 1 53 53 GLY N N 53 102.630 102.630 106.938 -4.308 25874 3115 1 17 . 1 1 53 53 GLY H H 53 8.549 8.549 7.987 0.562 25874 3116 1 17 . 1 1 54 54 CYS N N 54 120.890 120.890 118.567 2.323 25874 3117 1 17 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.576 -0.177 25874 3118 1 17 . 1 1 54 54 CYS H H 54 6.584 6.584 7.644 -1.060 25874 3119 1 17 . 1 1 55 55 HIS N N 55 117.794 117.794 119.702 -1.908 25874 3120 1 17 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.839 -1.129 25874 3121 1 17 . 1 1 55 55 HIS H H 55 5.404 5.404 7.843 -2.439 25874 3122 1 17 . 1 1 56 56 GLU N N 56 116.823 116.823 120.381 -3.558 25874 3123 1 17 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.019 -0.390 25874 3124 1 17 . 1 1 56 56 GLU H H 56 7.969 7.969 8.709 -0.740 25874 3125 1 17 . 1 1 57 57 GLU N N 57 120.523 120.523 117.846 2.677 25874 3126 1 17 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.049 -0.028 25874 3127 1 17 . 1 1 57 57 GLU H H 57 7.485 7.485 7.862 -0.377 25874 3128 1 17 . 1 1 58 58 MET N N 58 115.336 115.336 115.491 -0.155 25874 3129 1 17 . 1 1 58 58 MET HA H 58 4.352 4.352 4.477 -0.125 25874 3130 1 17 . 1 1 58 58 MET H H 58 8.866 8.866 7.657 1.209 25874 3131 1 17 . 1 1 59 59 LYS N N 59 114.369 114.369 116.122 -1.753 25874 3132 1 17 . 1 1 59 59 LYS HA H 59 3.713 3.713 3.994 -0.281 25874 3133 1 17 . 1 1 59 59 LYS H H 59 7.691 7.691 8.214 -0.523 25874 3134 1 17 . 1 1 60 60 LYS N N 60 118.488 118.488 119.719 -1.231 25874 3135 1 17 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.537 -0.258 25874 3136 1 17 . 1 1 60 60 LYS H H 60 7.566 7.566 7.695 -0.129 25874 3137 1 17 . 1 1 61 61 GLY N N 61 103.494 103.494 110.088 -6.594 25874 3138 1 17 . 1 1 61 61 GLY H H 61 7.514 7.514 8.202 -0.688 25874 3139 1 17 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.513 -0.586 25874 3140 1 17 . 1 1 63 63 THR N N 63 109.032 109.032 116.135 -7.103 25874 3141 1 17 . 1 1 63 63 THR HA H 63 4.403 4.403 4.478 -0.075 25874 3142 1 17 . 1 1 63 63 THR H H 63 8.271 8.271 8.155 0.116 25874 3143 1 17 . 1 1 64 64 LYS N N 64 124.136 124.136 121.516 2.620 25874 3144 1 17 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.726 0.390 25874 3145 1 17 . 1 1 64 64 LYS H H 64 8.437 8.437 7.826 0.611 25874 3146 1 17 . 1 1 65 65 CYS N N 65 118.006 118.006 117.463 0.543 25874 3147 1 17 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.606 0.163 25874 3148 1 17 . 1 1 65 65 CYS H H 65 8.731 8.731 8.739 -0.008 25874 3149 1 17 . 1 1 66 66 GLY N N 66 101.862 101.862 108.190 -6.328 25874 3150 1 17 . 1 1 66 66 GLY H H 66 8.809 8.809 8.506 0.303 25874 3151 1 17 . 1 1 67 67 GLU N N 67 116.476 116.476 120.327 -3.851 25874 3152 1 17 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.411 -0.250 25874 3153 1 17 . 1 1 67 67 GLU H H 67 7.694 7.694 7.646 0.048 25874 3154 1 17 . 1 1 68 68 CYS N N 68 114.694 114.694 116.759 -2.065 25874 3155 1 17 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.407 0.296 25874 3156 1 17 . 1 1 68 68 CYS H H 68 6.422 6.422 7.494 -1.072 25874 3157 1 17 . 1 1 69 69 HIS N N 69 117.752 117.752 119.304 -1.552 25874 3158 1 17 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.883 -2.143 25874 3159 1 17 . 1 1 69 69 HIS H H 69 6.901 6.901 7.899 -0.998 25874 3160 1 17 . 1 1 70 70 LYS N N 70 123.740 123.740 121.757 1.983 25874 3161 1 17 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.425 -0.185 25874 3162 1 17 . 1 1 70 70 LYS H H 70 7.214 7.214 7.696 -0.482 25874 3163 1 18 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.441 0.327 25874 3164 1 18 . 1 1 3 3 ASP N N 3 116.646 116.646 119.711 -3.065 25874 3165 1 18 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.517 0.053 25874 3166 1 18 . 1 1 3 3 ASP H H 3 7.252 7.252 8.022 -0.770 25874 3167 1 18 . 1 1 4 4 ILE N N 4 122.597 122.597 119.510 3.087 25874 3168 1 18 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.182 -0.408 25874 3169 1 18 . 1 1 4 4 ILE H H 4 8.202 8.202 8.150 0.052 25874 3170 1 18 . 1 1 5 5 VAL N N 5 127.035 127.035 124.192 2.843 25874 3171 1 18 . 1 1 5 5 VAL H H 5 8.390 8.390 8.143 0.247 25874 3172 1 18 . 1 1 6 6 PHE N N 6 129.504 129.504 126.044 3.460 25874 3173 1 18 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.800 0.279 25874 3174 1 18 . 1 1 6 6 PHE H H 6 9.545 9.545 8.350 1.195 25874 3175 1 18 . 1 1 7 7 LYS N N 7 125.467 125.467 125.324 0.143 25874 3176 1 18 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.426 0.031 25874 3177 1 18 . 1 1 7 7 LYS H H 7 8.850 8.850 8.772 0.078 25874 3178 1 18 . 1 1 8 8 ALA N N 8 124.878 124.878 127.795 -2.917 25874 3179 1 18 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.606 0.235 25874 3180 1 18 . 1 1 8 8 ALA H H 8 8.255 8.255 8.259 -0.004 25874 3181 1 18 . 1 1 9 9 LYS N N 9 125.448 125.448 121.900 3.548 25874 3182 1 18 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.281 -0.308 25874 3183 1 18 . 1 1 9 9 LYS H H 9 10.288 10.288 8.729 1.559 25874 3184 1 18 . 1 1 10 10 ASN N N 10 113.783 113.783 116.576 -2.793 25874 3185 1 18 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.832 -0.579 25874 3186 1 18 . 1 1 10 10 ASN H H 10 8.773 8.773 7.958 0.815 25874 3187 1 18 . 1 1 11 11 GLY N N 11 110.396 110.396 107.375 3.021 25874 3188 1 18 . 1 1 11 11 GLY H H 11 6.968 6.968 7.402 -0.434 25874 3189 1 18 . 1 1 12 12 ASP N N 12 129.103 129.103 123.101 6.002 25874 3190 1 18 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.746 -0.341 25874 3191 1 18 . 1 1 12 12 ASP H H 12 7.962 7.962 8.319 -0.357 25874 3192 1 18 . 1 1 13 13 VAL N N 13 121.052 121.052 124.233 -3.181 25874 3193 1 18 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.536 -0.262 25874 3194 1 18 . 1 1 13 13 VAL H H 13 8.620 8.620 8.072 0.548 25874 3195 1 18 . 1 1 14 14 LYS N N 14 129.063 129.063 128.316 0.747 25874 3196 1 18 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.626 -0.018 25874 3197 1 18 . 1 1 14 14 LYS H H 14 9.012 9.012 8.530 0.482 25874 3198 1 18 . 1 1 15 15 PHE N N 15 127.819 127.819 124.246 3.573 25874 3199 1 18 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.121 0.560 25874 3200 1 18 . 1 1 15 15 PHE H H 15 9.449 9.449 8.500 0.949 25874 3201 1 18 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.669 -0.099 25874 3202 1 18 . 1 1 17 17 HIS N N 17 132.614 132.614 125.607 7.007 25874 3203 1 18 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.699 -2.882 25874 3204 1 18 . 1 1 17 17 HIS H H 17 6.540 6.540 8.234 -1.694 25874 3205 1 18 . 1 1 18 18 LYS N N 18 118.133 118.133 119.615 -1.482 25874 3206 1 18 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.963 -1.387 25874 3207 1 18 . 1 1 18 18 LYS H H 18 7.325 7.325 8.186 -0.861 25874 3208 1 18 . 1 1 19 19 ALA N N 19 120.621 120.621 120.384 0.237 25874 3209 1 18 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.037 -0.641 25874 3210 1 18 . 1 1 19 19 ALA H H 19 7.014 7.014 8.164 -1.150 25874 3211 1 18 . 1 1 20 20 HIS N N 20 116.674 116.674 116.883 -0.209 25874 3212 1 18 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.335 -1.843 25874 3213 1 18 . 1 1 20 20 HIS H H 20 6.376 6.376 8.351 -1.975 25874 3214 1 18 . 1 1 21 21 GLN N N 21 117.448 117.448 116.459 0.989 25874 3215 1 18 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.112 -0.048 25874 3216 1 18 . 1 1 21 21 GLN H H 21 6.796 6.796 8.165 -1.369 25874 3217 1 18 . 1 1 22 22 LYS N N 22 115.279 115.279 117.385 -2.106 25874 3218 1 18 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.310 -0.294 25874 3219 1 18 . 1 1 22 22 LYS H H 22 6.578 6.578 7.765 -1.187 25874 3220 1 18 . 1 1 23 23 ALA N N 23 120.362 120.362 121.769 -1.407 25874 3221 1 18 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.339 -0.145 25874 3222 1 18 . 1 1 23 23 ALA H H 23 6.963 6.963 7.473 -0.510 25874 3223 1 18 . 1 1 24 24 VAL N N 24 120.608 120.608 119.286 1.322 25874 3224 1 18 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.439 0.158 25874 3225 1 18 . 1 1 24 24 VAL H H 24 8.369 8.369 8.136 0.233 25874 3226 1 18 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.517 0.257 25874 3227 1 18 . 1 1 26 26 ASP N N 26 117.853 117.853 120.818 -2.965 25874 3228 1 18 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.478 0.600 25874 3229 1 18 . 1 1 26 26 ASP H H 26 7.828 7.828 8.462 -0.634 25874 3230 1 18 . 1 1 27 27 CYS N N 27 123.776 123.776 124.523 -0.747 25874 3231 1 18 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.502 0.462 25874 3232 1 18 . 1 1 27 27 CYS H H 27 8.544 8.544 8.699 -0.155 25874 3233 1 18 . 1 1 28 28 LYS N N 28 114.260 114.260 121.203 -6.943 25874 3234 1 18 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.269 -0.772 25874 3235 1 18 . 1 1 28 28 LYS H H 28 8.062 8.062 8.152 -0.090 25874 3236 1 18 . 1 1 29 29 LYS N N 29 118.718 118.718 116.876 1.842 25874 3237 1 18 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.141 -0.108 25874 3238 1 18 . 1 1 29 29 LYS H H 29 7.751 7.751 7.973 -0.222 25874 3239 1 18 . 1 1 30 30 CYS N N 30 111.794 111.794 113.053 -1.259 25874 3240 1 18 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.493 0.147 25874 3241 1 18 . 1 1 30 30 CYS H H 30 6.273 6.273 8.368 -2.095 25874 3242 1 18 . 1 1 31 31 HIS N N 31 118.519 118.519 121.002 -2.483 25874 3243 1 18 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.907 -1.842 25874 3244 1 18 . 1 1 31 31 HIS H H 31 7.120 7.120 8.627 -1.507 25874 3245 1 18 . 1 1 32 32 GLU N N 32 125.364 125.364 121.591 3.773 25874 3246 1 18 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.171 -0.475 25874 3247 1 18 . 1 1 32 32 GLU H H 32 7.986 7.986 8.102 -0.116 25874 3248 1 18 . 1 1 33 33 LYS N N 33 115.015 115.015 119.683 -4.668 25874 3249 1 18 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.373 -0.160 25874 3250 1 18 . 1 1 33 33 LYS H H 33 8.183 8.183 7.952 0.231 25874 3251 1 18 . 1 1 34 34 GLY N N 34 107.428 107.428 109.585 -2.157 25874 3252 1 18 . 1 1 34 34 GLY H H 34 6.624 6.624 7.829 -1.205 25874 3253 1 18 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.586 -2.950 25874 3254 1 18 . 1 1 36 36 GLY N N 36 109.389 109.389 106.499 2.890 25874 3255 1 18 . 1 1 36 36 GLY H H 36 3.873 3.873 7.799 -3.926 25874 3256 1 18 . 1 1 37 37 LYS N N 37 116.850 116.850 119.713 -2.863 25874 3257 1 18 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.213 -0.054 25874 3258 1 18 . 1 1 37 37 LYS H H 37 7.981 7.981 8.343 -0.362 25874 3259 1 18 . 1 1 38 38 ILE N N 38 128.778 128.778 121.616 7.162 25874 3260 1 18 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.302 -0.578 25874 3261 1 18 . 1 1 38 38 ILE H H 38 10.493 10.493 8.423 2.070 25874 3262 1 18 . 1 1 39 39 GLU N N 39 130.536 130.536 129.803 0.733 25874 3263 1 18 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.292 -0.274 25874 3264 1 18 . 1 1 39 39 GLU H H 39 8.595 8.595 9.210 -0.615 25874 3265 1 18 . 1 1 40 40 GLY N N 40 113.068 113.068 108.801 4.267 25874 3266 1 18 . 1 1 40 40 GLY H H 40 9.115 9.115 8.356 0.759 25874 3267 1 18 . 1 1 41 41 PHE N N 41 121.942 121.942 120.632 1.310 25874 3268 1 18 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.784 -0.484 25874 3269 1 18 . 1 1 41 41 PHE H H 41 8.010 8.010 7.530 0.480 25874 3270 1 18 . 1 1 42 42 GLY N N 42 114.942 114.942 108.028 6.914 25874 3271 1 18 . 1 1 42 42 GLY H H 42 5.768 5.768 6.293 -0.525 25874 3272 1 18 . 1 1 43 43 LYS N N 43 122.844 122.844 118.554 4.290 25874 3273 1 18 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.905 -0.603 25874 3274 1 18 . 1 1 43 43 LYS H H 43 8.884 8.884 8.325 0.559 25874 3275 1 18 . 1 1 44 44 GLU N N 44 115.043 115.043 119.575 -4.532 25874 3276 1 18 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.778 -0.734 25874 3277 1 18 . 1 1 44 44 GLU H H 44 7.923 7.923 7.980 -0.057 25874 3278 1 18 . 1 1 45 45 MET N N 45 118.080 118.080 118.380 -0.300 25874 3279 1 18 . 1 1 45 45 MET HA H 45 3.848 3.848 4.135 -0.287 25874 3280 1 18 . 1 1 45 45 MET H H 45 7.559 7.559 7.555 0.004 25874 3281 1 18 . 1 1 46 46 ALA N N 46 122.871 122.871 120.141 2.730 25874 3282 1 18 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.767 0.193 25874 3283 1 18 . 1 1 46 46 ALA H H 46 7.907 7.907 7.464 0.443 25874 3284 1 18 . 1 1 47 47 HIS N N 47 113.174 113.174 116.022 -2.848 25874 3285 1 18 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.470 -1.753 25874 3286 1 18 . 1 1 47 47 HIS H H 47 6.721 6.721 8.151 -1.430 25874 3287 1 18 . 1 1 48 48 GLY N N 48 109.910 109.910 107.851 2.059 25874 3288 1 18 . 1 1 48 48 GLY H H 48 6.697 6.697 8.270 -1.573 25874 3289 1 18 . 1 1 49 49 LYS N N 49 125.155 125.155 121.414 3.741 25874 3290 1 18 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.168 -0.450 25874 3291 1 18 . 1 1 49 49 LYS H H 49 8.725 8.725 8.402 0.323 25874 3292 1 18 . 1 1 50 50 GLY N N 50 105.682 105.682 107.889 -2.207 25874 3293 1 18 . 1 1 50 50 GLY H H 50 8.455 8.455 8.223 0.232 25874 3294 1 18 . 1 1 51 51 CYS N N 51 110.903 110.903 117.637 -6.734 25874 3295 1 18 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.289 1.304 25874 3296 1 18 . 1 1 51 51 CYS H H 51 6.640 6.640 7.532 -0.892 25874 3297 1 18 . 1 1 52 52 LYS N N 52 120.482 120.482 120.933 -0.451 25874 3298 1 18 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.129 -1.621 25874 3299 1 18 . 1 1 52 52 LYS H H 52 7.906 7.906 7.545 0.361 25874 3300 1 18 . 1 1 53 53 GLY N N 53 102.630 102.630 107.565 -4.935 25874 3301 1 18 . 1 1 53 53 GLY H H 53 8.549 8.549 7.959 0.590 25874 3302 1 18 . 1 1 54 54 CYS N N 54 120.890 120.890 118.796 2.094 25874 3303 1 18 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.535 -0.136 25874 3304 1 18 . 1 1 54 54 CYS H H 54 6.584 6.584 7.849 -1.265 25874 3305 1 18 . 1 1 55 55 HIS N N 55 117.794 117.794 119.717 -1.923 25874 3306 1 18 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.744 -1.034 25874 3307 1 18 . 1 1 55 55 HIS H H 55 5.404 5.404 7.671 -2.267 25874 3308 1 18 . 1 1 56 56 GLU N N 56 116.823 116.823 120.291 -3.468 25874 3309 1 18 . 1 1 56 56 GLU HA H 56 3.629 3.629 3.930 -0.301 25874 3310 1 18 . 1 1 56 56 GLU H H 56 7.969 7.969 8.450 -0.481 25874 3311 1 18 . 1 1 57 57 GLU N N 57 120.523 120.523 117.210 3.313 25874 3312 1 18 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.084 -0.063 25874 3313 1 18 . 1 1 57 57 GLU H H 57 7.485 7.485 7.788 -0.303 25874 3314 1 18 . 1 1 58 58 MET N N 58 115.336 115.336 115.250 0.086 25874 3315 1 18 . 1 1 58 58 MET HA H 58 4.352 4.352 4.522 -0.170 25874 3316 1 18 . 1 1 58 58 MET H H 58 8.866 8.866 7.691 1.175 25874 3317 1 18 . 1 1 59 59 LYS N N 59 114.369 114.369 118.046 -3.677 25874 3318 1 18 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.008 -0.295 25874 3319 1 18 . 1 1 59 59 LYS H H 59 7.691 7.691 7.946 -0.255 25874 3320 1 18 . 1 1 60 60 LYS N N 60 118.488 118.488 119.483 -0.995 25874 3321 1 18 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.534 -0.255 25874 3322 1 18 . 1 1 60 60 LYS H H 60 7.566 7.566 7.694 -0.128 25874 3323 1 18 . 1 1 61 61 GLY N N 61 103.494 103.494 110.929 -7.435 25874 3324 1 18 . 1 1 61 61 GLY H H 61 7.514 7.514 8.331 -0.817 25874 3325 1 18 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.693 -0.766 25874 3326 1 18 . 1 1 63 63 THR N N 63 109.032 109.032 113.295 -4.263 25874 3327 1 18 . 1 1 63 63 THR HA H 63 4.403 4.403 4.404 -0.001 25874 3328 1 18 . 1 1 63 63 THR H H 63 8.271 8.271 8.183 0.088 25874 3329 1 18 . 1 1 64 64 LYS N N 64 124.136 124.136 122.617 1.519 25874 3330 1 18 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.695 0.421 25874 3331 1 18 . 1 1 64 64 LYS H H 64 8.437 8.437 7.422 1.015 25874 3332 1 18 . 1 1 65 65 CYS N N 65 118.006 118.006 117.246 0.760 25874 3333 1 18 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.603 0.166 25874 3334 1 18 . 1 1 65 65 CYS H H 65 8.731 8.731 8.650 0.081 25874 3335 1 18 . 1 1 66 66 GLY N N 66 101.862 101.862 107.938 -6.076 25874 3336 1 18 . 1 1 66 66 GLY H H 66 8.809 8.809 8.493 0.316 25874 3337 1 18 . 1 1 67 67 GLU N N 67 116.476 116.476 120.040 -3.564 25874 3338 1 18 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.507 -0.346 25874 3339 1 18 . 1 1 67 67 GLU H H 67 7.694 7.694 7.646 0.048 25874 3340 1 18 . 1 1 68 68 CYS N N 68 114.694 114.694 116.853 -2.159 25874 3341 1 18 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.408 0.295 25874 3342 1 18 . 1 1 68 68 CYS H H 68 6.422 6.422 7.489 -1.067 25874 3343 1 18 . 1 1 69 69 HIS N N 69 117.752 117.752 119.106 -1.354 25874 3344 1 18 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.934 -2.194 25874 3345 1 18 . 1 1 69 69 HIS H H 69 6.901 6.901 8.123 -1.222 25874 3346 1 18 . 1 1 70 70 LYS N N 70 123.740 123.740 123.420 0.320 25874 3347 1 18 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.494 -0.254 25874 3348 1 18 . 1 1 70 70 LYS H H 70 7.214 7.214 7.736 -0.522 25874 3349 1 19 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.492 0.276 25874 3350 1 19 . 1 1 3 3 ASP N N 3 116.646 116.646 117.944 -1.298 25874 3351 1 19 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.470 0.100 25874 3352 1 19 . 1 1 3 3 ASP H H 3 7.252 7.252 7.920 -0.668 25874 3353 1 19 . 1 1 4 4 ILE N N 4 122.597 122.597 118.742 3.855 25874 3354 1 19 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.139 -0.365 25874 3355 1 19 . 1 1 4 4 ILE H H 4 8.202 8.202 8.172 0.030 25874 3356 1 19 . 1 1 5 5 VAL N N 5 127.035 127.035 124.295 2.740 25874 3357 1 19 . 1 1 5 5 VAL H H 5 8.390 8.390 8.149 0.241 25874 3358 1 19 . 1 1 6 6 PHE N N 6 129.504 129.504 125.627 3.877 25874 3359 1 19 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.752 0.327 25874 3360 1 19 . 1 1 6 6 PHE H H 6 9.545 9.545 8.298 1.247 25874 3361 1 19 . 1 1 7 7 LYS N N 7 125.467 125.467 125.457 0.010 25874 3362 1 19 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.364 0.093 25874 3363 1 19 . 1 1 7 7 LYS H H 7 8.850 8.850 8.803 0.047 25874 3364 1 19 . 1 1 8 8 ALA N N 8 124.878 124.878 128.067 -3.189 25874 3365 1 19 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.636 0.205 25874 3366 1 19 . 1 1 8 8 ALA H H 8 8.255 8.255 8.196 0.059 25874 3367 1 19 . 1 1 9 9 LYS N N 9 125.448 125.448 121.753 3.695 25874 3368 1 19 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.292 -0.319 25874 3369 1 19 . 1 1 9 9 LYS H H 9 10.288 10.288 8.731 1.557 25874 3370 1 19 . 1 1 10 10 ASN N N 10 113.783 113.783 116.570 -2.787 25874 3371 1 19 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.836 -0.583 25874 3372 1 19 . 1 1 10 10 ASN H H 10 8.773 8.773 7.973 0.800 25874 3373 1 19 . 1 1 11 11 GLY N N 11 110.396 110.396 107.321 3.075 25874 3374 1 19 . 1 1 11 11 GLY H H 11 6.968 6.968 7.465 -0.497 25874 3375 1 19 . 1 1 12 12 ASP N N 12 129.103 129.103 122.588 6.515 25874 3376 1 19 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.727 -0.322 25874 3377 1 19 . 1 1 12 12 ASP H H 12 7.962 7.962 8.291 -0.329 25874 3378 1 19 . 1 1 13 13 VAL N N 13 121.052 121.052 124.327 -3.275 25874 3379 1 19 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.503 -0.229 25874 3380 1 19 . 1 1 13 13 VAL H H 13 8.620 8.620 8.100 0.520 25874 3381 1 19 . 1 1 14 14 LYS N N 14 129.063 129.063 128.531 0.532 25874 3382 1 19 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.636 -0.028 25874 3383 1 19 . 1 1 14 14 LYS H H 14 9.012 9.012 8.553 0.459 25874 3384 1 19 . 1 1 15 15 PHE N N 15 127.819 127.819 124.613 3.206 25874 3385 1 19 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.120 0.561 25874 3386 1 19 . 1 1 15 15 PHE H H 15 9.449 9.449 8.505 0.944 25874 3387 1 19 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.541 0.029 25874 3388 1 19 . 1 1 17 17 HIS N N 17 132.614 132.614 125.439 7.175 25874 3389 1 19 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.653 -2.836 25874 3390 1 19 . 1 1 17 17 HIS H H 17 6.540 6.540 8.245 -1.705 25874 3391 1 19 . 1 1 18 18 LYS N N 18 118.133 118.133 119.582 -1.449 25874 3392 1 19 . 1 1 18 18 LYS HA H 18 2.576 2.576 4.004 -1.428 25874 3393 1 19 . 1 1 18 18 LYS H H 18 7.325 7.325 8.285 -0.960 25874 3394 1 19 . 1 1 19 19 ALA N N 19 120.621 120.621 121.804 -1.183 25874 3395 1 19 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.026 -0.630 25874 3396 1 19 . 1 1 19 19 ALA H H 19 7.014 7.014 8.219 -1.205 25874 3397 1 19 . 1 1 20 20 HIS N N 20 116.674 116.674 116.058 0.616 25874 3398 1 19 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.363 -1.871 25874 3399 1 19 . 1 1 20 20 HIS H H 20 6.376 6.376 8.364 -1.988 25874 3400 1 19 . 1 1 21 21 GLN N N 21 117.448 117.448 116.585 0.863 25874 3401 1 19 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.120 -0.056 25874 3402 1 19 . 1 1 21 21 GLN H H 21 6.796 6.796 8.139 -1.343 25874 3403 1 19 . 1 1 22 22 LYS N N 22 115.279 115.279 117.268 -1.989 25874 3404 1 19 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.331 -0.315 25874 3405 1 19 . 1 1 22 22 LYS H H 22 6.578 6.578 7.576 -0.998 25874 3406 1 19 . 1 1 23 23 ALA N N 23 120.362 120.362 122.073 -1.711 25874 3407 1 19 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.315 -0.121 25874 3408 1 19 . 1 1 23 23 ALA H H 23 6.963 6.963 7.549 -0.586 25874 3409 1 19 . 1 1 24 24 VAL N N 24 120.608 120.608 119.288 1.320 25874 3410 1 19 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.534 0.063 25874 3411 1 19 . 1 1 24 24 VAL H H 24 8.369 8.369 8.094 0.275 25874 3412 1 19 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.546 0.228 25874 3413 1 19 . 1 1 26 26 ASP N N 26 117.853 117.853 120.971 -3.118 25874 3414 1 19 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.490 0.588 25874 3415 1 19 . 1 1 26 26 ASP H H 26 7.828 7.828 8.498 -0.670 25874 3416 1 19 . 1 1 27 27 CYS N N 27 123.776 123.776 125.304 -1.528 25874 3417 1 19 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.449 0.515 25874 3418 1 19 . 1 1 27 27 CYS H H 27 8.544 8.544 8.714 -0.170 25874 3419 1 19 . 1 1 28 28 LYS N N 28 114.260 114.260 120.878 -6.618 25874 3420 1 19 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.238 -0.741 25874 3421 1 19 . 1 1 28 28 LYS H H 28 8.062 8.062 8.229 -0.167 25874 3422 1 19 . 1 1 29 29 LYS N N 29 118.718 118.718 116.180 2.538 25874 3423 1 19 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.151 -0.118 25874 3424 1 19 . 1 1 29 29 LYS H H 29 7.751 7.751 7.714 0.037 25874 3425 1 19 . 1 1 30 30 CYS N N 30 111.794 111.794 113.251 -1.457 25874 3426 1 19 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.497 0.143 25874 3427 1 19 . 1 1 30 30 CYS H H 30 6.273 6.273 8.387 -2.114 25874 3428 1 19 . 1 1 31 31 HIS N N 31 118.519 118.519 121.085 -2.566 25874 3429 1 19 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.896 -1.831 25874 3430 1 19 . 1 1 31 31 HIS H H 31 7.120 7.120 8.661 -1.541 25874 3431 1 19 . 1 1 32 32 GLU N N 32 125.364 125.364 121.619 3.745 25874 3432 1 19 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.191 -0.495 25874 3433 1 19 . 1 1 32 32 GLU H H 32 7.986 7.986 8.296 -0.310 25874 3434 1 19 . 1 1 33 33 LYS N N 33 115.015 115.015 119.485 -4.470 25874 3435 1 19 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.373 -0.160 25874 3436 1 19 . 1 1 33 33 LYS H H 33 8.183 8.183 7.954 0.229 25874 3437 1 19 . 1 1 34 34 GLY N N 34 107.428 107.428 109.460 -2.032 25874 3438 1 19 . 1 1 34 34 GLY H H 34 6.624 6.624 7.670 -1.046 25874 3439 1 19 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.590 -2.954 25874 3440 1 19 . 1 1 36 36 GLY N N 36 109.389 109.389 105.675 3.714 25874 3441 1 19 . 1 1 36 36 GLY H H 36 3.873 3.873 7.498 -3.625 25874 3442 1 19 . 1 1 37 37 LYS N N 37 116.850 116.850 121.496 -4.646 25874 3443 1 19 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.565 -0.406 25874 3444 1 19 . 1 1 37 37 LYS H H 37 7.981 7.981 8.330 -0.349 25874 3445 1 19 . 1 1 38 38 ILE N N 38 128.778 128.778 121.390 7.388 25874 3446 1 19 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.387 -0.663 25874 3447 1 19 . 1 1 38 38 ILE H H 38 10.493 10.493 8.509 1.984 25874 3448 1 19 . 1 1 39 39 GLU N N 39 130.536 130.536 129.339 1.197 25874 3449 1 19 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.322 -0.304 25874 3450 1 19 . 1 1 39 39 GLU H H 39 8.595 8.595 9.238 -0.643 25874 3451 1 19 . 1 1 40 40 GLY N N 40 113.068 113.068 108.060 5.008 25874 3452 1 19 . 1 1 40 40 GLY H H 40 9.115 9.115 8.251 0.864 25874 3453 1 19 . 1 1 41 41 PHE N N 41 121.942 121.942 120.653 1.289 25874 3454 1 19 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.779 -0.479 25874 3455 1 19 . 1 1 41 41 PHE H H 41 8.010 8.010 7.491 0.519 25874 3456 1 19 . 1 1 42 42 GLY N N 42 114.942 114.942 108.069 6.873 25874 3457 1 19 . 1 1 42 42 GLY H H 42 5.768 5.768 6.307 -0.539 25874 3458 1 19 . 1 1 43 43 LYS N N 43 122.844 122.844 118.504 4.340 25874 3459 1 19 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.901 -0.599 25874 3460 1 19 . 1 1 43 43 LYS H H 43 8.884 8.884 8.342 0.542 25874 3461 1 19 . 1 1 44 44 GLU N N 44 115.043 115.043 119.678 -4.635 25874 3462 1 19 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.766 -0.722 25874 3463 1 19 . 1 1 44 44 GLU H H 44 7.923 7.923 7.959 -0.036 25874 3464 1 19 . 1 1 45 45 MET N N 45 118.080 118.080 118.537 -0.457 25874 3465 1 19 . 1 1 45 45 MET HA H 45 3.848 3.848 4.127 -0.279 25874 3466 1 19 . 1 1 45 45 MET H H 45 7.559 7.559 7.572 -0.013 25874 3467 1 19 . 1 1 46 46 ALA N N 46 122.871 122.871 120.110 2.761 25874 3468 1 19 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.766 0.194 25874 3469 1 19 . 1 1 46 46 ALA H H 46 7.907 7.907 7.470 0.437 25874 3470 1 19 . 1 1 47 47 HIS N N 47 113.174 113.174 116.055 -2.881 25874 3471 1 19 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.471 -1.754 25874 3472 1 19 . 1 1 47 47 HIS H H 47 6.721 6.721 8.142 -1.421 25874 3473 1 19 . 1 1 48 48 GLY N N 48 109.910 109.910 107.904 2.006 25874 3474 1 19 . 1 1 48 48 GLY H H 48 6.697 6.697 8.254 -1.557 25874 3475 1 19 . 1 1 49 49 LYS N N 49 125.155 125.155 121.266 3.889 25874 3476 1 19 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.159 -0.441 25874 3477 1 19 . 1 1 49 49 LYS H H 49 8.725 8.725 8.426 0.299 25874 3478 1 19 . 1 1 50 50 GLY N N 50 105.682 105.682 107.812 -2.130 25874 3479 1 19 . 1 1 50 50 GLY H H 50 8.455 8.455 8.220 0.235 25874 3480 1 19 . 1 1 51 51 CYS N N 51 110.903 110.903 117.636 -6.733 25874 3481 1 19 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.299 1.294 25874 3482 1 19 . 1 1 51 51 CYS H H 51 6.640 6.640 7.541 -0.901 25874 3483 1 19 . 1 1 52 52 LYS N N 52 120.482 120.482 121.016 -0.534 25874 3484 1 19 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.128 -1.620 25874 3485 1 19 . 1 1 52 52 LYS H H 52 7.906 7.906 7.553 0.353 25874 3486 1 19 . 1 1 53 53 GLY N N 53 102.630 102.630 107.340 -4.710 25874 3487 1 19 . 1 1 53 53 GLY H H 53 8.549 8.549 7.977 0.572 25874 3488 1 19 . 1 1 54 54 CYS N N 54 120.890 120.890 118.458 2.432 25874 3489 1 19 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.532 -0.133 25874 3490 1 19 . 1 1 54 54 CYS H H 54 6.584 6.584 7.740 -1.156 25874 3491 1 19 . 1 1 55 55 HIS N N 55 117.794 117.794 119.621 -1.827 25874 3492 1 19 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.853 -1.143 25874 3493 1 19 . 1 1 55 55 HIS H H 55 5.404 5.404 7.666 -2.262 25874 3494 1 19 . 1 1 56 56 GLU N N 56 116.823 116.823 120.401 -3.578 25874 3495 1 19 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.016 -0.387 25874 3496 1 19 . 1 1 56 56 GLU H H 56 7.969 7.969 8.533 -0.564 25874 3497 1 19 . 1 1 57 57 GLU N N 57 120.523 120.523 117.768 2.755 25874 3498 1 19 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.056 -0.035 25874 3499 1 19 . 1 1 57 57 GLU H H 57 7.485 7.485 7.872 -0.387 25874 3500 1 19 . 1 1 58 58 MET N N 58 115.336 115.336 115.389 -0.053 25874 3501 1 19 . 1 1 58 58 MET HA H 58 4.352 4.352 4.472 -0.120 25874 3502 1 19 . 1 1 58 58 MET H H 58 8.866 8.866 7.708 1.158 25874 3503 1 19 . 1 1 59 59 LYS N N 59 114.369 114.369 116.121 -1.752 25874 3504 1 19 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.004 -0.291 25874 3505 1 19 . 1 1 59 59 LYS H H 59 7.691 7.691 8.208 -0.517 25874 3506 1 19 . 1 1 60 60 LYS N N 60 118.488 118.488 119.835 -1.347 25874 3507 1 19 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.556 -0.277 25874 3508 1 19 . 1 1 60 60 LYS H H 60 7.566 7.566 7.716 -0.150 25874 3509 1 19 . 1 1 61 61 GLY N N 61 103.494 103.494 111.115 -7.621 25874 3510 1 19 . 1 1 61 61 GLY H H 61 7.514 7.514 8.265 -0.751 25874 3511 1 19 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.573 -0.646 25874 3512 1 19 . 1 1 63 63 THR N N 63 109.032 109.032 115.636 -6.604 25874 3513 1 19 . 1 1 63 63 THR HA H 63 4.403 4.403 4.456 -0.053 25874 3514 1 19 . 1 1 63 63 THR H H 63 8.271 8.271 8.166 0.105 25874 3515 1 19 . 1 1 64 64 LYS N N 64 124.136 124.136 122.234 1.902 25874 3516 1 19 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.632 0.484 25874 3517 1 19 . 1 1 64 64 LYS H H 64 8.437 8.437 7.673 0.764 25874 3518 1 19 . 1 1 65 65 CYS N N 65 118.006 118.006 117.190 0.816 25874 3519 1 19 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.606 0.163 25874 3520 1 19 . 1 1 65 65 CYS H H 65 8.731 8.731 8.634 0.097 25874 3521 1 19 . 1 1 66 66 GLY N N 66 101.862 101.862 107.920 -6.058 25874 3522 1 19 . 1 1 66 66 GLY H H 66 8.809 8.809 8.486 0.323 25874 3523 1 19 . 1 1 67 67 GLU N N 67 116.476 116.476 119.962 -3.486 25874 3524 1 19 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.510 -0.349 25874 3525 1 19 . 1 1 67 67 GLU H H 67 7.694 7.694 7.651 0.043 25874 3526 1 19 . 1 1 68 68 CYS N N 68 114.694 114.694 116.917 -2.223 25874 3527 1 19 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.430 0.273 25874 3528 1 19 . 1 1 68 68 CYS H H 68 6.422 6.422 7.488 -1.066 25874 3529 1 19 . 1 1 69 69 HIS N N 69 117.752 117.752 119.275 -1.523 25874 3530 1 19 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.922 -2.182 25874 3531 1 19 . 1 1 69 69 HIS H H 69 6.901 6.901 8.129 -1.228 25874 3532 1 19 . 1 1 70 70 LYS N N 70 123.740 123.740 123.691 0.049 25874 3533 1 19 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.465 -0.225 25874 3534 1 19 . 1 1 70 70 LYS H H 70 7.214 7.214 7.779 -0.565 25874 3535 1 20 . 1 1 2 2 ASP HA H 2 4.768 4.768 4.292 0.476 25874 3536 1 20 . 1 1 3 3 ASP N N 3 116.646 116.646 118.995 -2.349 25874 3537 1 20 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.526 0.044 25874 3538 1 20 . 1 1 3 3 ASP H H 3 7.252 7.252 7.937 -0.685 25874 3539 1 20 . 1 1 4 4 ILE N N 4 122.597 122.597 119.007 3.590 25874 3540 1 20 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.176 -0.402 25874 3541 1 20 . 1 1 4 4 ILE H H 4 8.202 8.202 7.925 0.277 25874 3542 1 20 . 1 1 5 5 VAL N N 5 127.035 127.035 123.967 3.068 25874 3543 1 20 . 1 1 5 5 VAL H H 5 8.390 8.390 8.193 0.197 25874 3544 1 20 . 1 1 6 6 PHE N N 6 129.504 129.504 126.009 3.495 25874 3545 1 20 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.741 0.338 25874 3546 1 20 . 1 1 6 6 PHE H H 6 9.545 9.545 8.249 1.296 25874 3547 1 20 . 1 1 7 7 LYS N N 7 125.467 125.467 126.885 -1.418 25874 3548 1 20 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.657 -0.200 25874 3549 1 20 . 1 1 7 7 LYS H H 7 8.850 8.850 8.774 0.076 25874 3550 1 20 . 1 1 8 8 ALA N N 8 124.878 124.878 126.910 -2.032 25874 3551 1 20 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.813 0.028 25874 3552 1 20 . 1 1 8 8 ALA H H 8 8.255 8.255 8.444 -0.189 25874 3553 1 20 . 1 1 9 9 LYS N N 9 125.448 125.448 121.952 3.496 25874 3554 1 20 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.299 -0.326 25874 3555 1 20 . 1 1 9 9 LYS H H 9 10.288 10.288 8.763 1.525 25874 3556 1 20 . 1 1 10 10 ASN N N 10 113.783 113.783 116.482 -2.699 25874 3557 1 20 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.856 -0.603 25874 3558 1 20 . 1 1 10 10 ASN H H 10 8.773 8.773 8.019 0.754 25874 3559 1 20 . 1 1 11 11 GLY N N 11 110.396 110.396 107.574 2.822 25874 3560 1 20 . 1 1 11 11 GLY H H 11 6.968 6.968 7.441 -0.473 25874 3561 1 20 . 1 1 12 12 ASP N N 12 129.103 129.103 123.118 5.985 25874 3562 1 20 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.775 -0.370 25874 3563 1 20 . 1 1 12 12 ASP H H 12 7.962 7.962 8.387 -0.425 25874 3564 1 20 . 1 1 13 13 VAL N N 13 121.052 121.052 125.408 -4.356 25874 3565 1 20 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.443 -0.169 25874 3566 1 20 . 1 1 13 13 VAL H H 13 8.620 8.620 8.145 0.475 25874 3567 1 20 . 1 1 14 14 LYS N N 14 129.063 129.063 126.799 2.264 25874 3568 1 20 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.491 0.117 25874 3569 1 20 . 1 1 14 14 LYS H H 14 9.012 9.012 8.109 0.903 25874 3570 1 20 . 1 1 15 15 PHE N N 15 127.819 127.819 124.161 3.658 25874 3571 1 20 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.071 0.610 25874 3572 1 20 . 1 1 15 15 PHE H H 15 9.449 9.449 8.642 0.807 25874 3573 1 20 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.560 0.010 25874 3574 1 20 . 1 1 17 17 HIS N N 17 132.614 132.614 126.730 5.884 25874 3575 1 20 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.952 -3.135 25874 3576 1 20 . 1 1 17 17 HIS H H 17 6.540 6.540 8.414 -1.874 25874 3577 1 20 . 1 1 18 18 LYS N N 18 118.133 118.133 120.064 -1.931 25874 3578 1 20 . 1 1 18 18 LYS HA H 18 2.576 2.576 4.048 -1.472 25874 3579 1 20 . 1 1 18 18 LYS H H 18 7.325 7.325 7.999 -0.674 25874 3580 1 20 . 1 1 19 19 ALA N N 19 120.621 120.621 118.708 1.913 25874 3581 1 20 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.143 -0.747 25874 3582 1 20 . 1 1 19 19 ALA H H 19 7.014 7.014 7.857 -0.843 25874 3583 1 20 . 1 1 20 20 HIS N N 20 116.674 116.674 117.781 -1.107 25874 3584 1 20 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.262 -1.770 25874 3585 1 20 . 1 1 20 20 HIS H H 20 6.376 6.376 7.979 -1.603 25874 3586 1 20 . 1 1 21 21 GLN N N 21 117.448 117.448 116.801 0.647 25874 3587 1 20 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.147 -0.083 25874 3588 1 20 . 1 1 21 21 GLN H H 21 6.796 6.796 8.170 -1.374 25874 3589 1 20 . 1 1 22 22 LYS N N 22 115.279 115.279 117.684 -2.405 25874 3590 1 20 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.369 -0.353 25874 3591 1 20 . 1 1 22 22 LYS H H 22 6.578 6.578 8.003 -1.425 25874 3592 1 20 . 1 1 23 23 ALA N N 23 120.362 120.362 122.591 -2.229 25874 3593 1 20 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.150 0.044 25874 3594 1 20 . 1 1 23 23 ALA H H 23 6.963 6.963 8.147 -1.184 25874 3595 1 20 . 1 1 24 24 VAL N N 24 120.608 120.608 118.768 1.840 25874 3596 1 20 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.431 0.166 25874 3597 1 20 . 1 1 24 24 VAL H H 24 8.369 8.369 7.548 0.821 25874 3598 1 20 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.489 0.285 25874 3599 1 20 . 1 1 26 26 ASP N N 26 117.853 117.853 120.967 -3.114 25874 3600 1 20 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.493 0.585 25874 3601 1 20 . 1 1 26 26 ASP H H 26 7.828 7.828 8.472 -0.644 25874 3602 1 20 . 1 1 27 27 CYS N N 27 123.776 123.776 124.664 -0.888 25874 3603 1 20 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.494 0.470 25874 3604 1 20 . 1 1 27 27 CYS H H 27 8.544 8.544 8.753 -0.209 25874 3605 1 20 . 1 1 28 28 LYS N N 28 114.260 114.260 120.987 -6.727 25874 3606 1 20 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.252 -0.755 25874 3607 1 20 . 1 1 28 28 LYS H H 28 8.062 8.062 7.990 0.072 25874 3608 1 20 . 1 1 29 29 LYS N N 29 118.718 118.718 117.073 1.645 25874 3609 1 20 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.148 -0.115 25874 3610 1 20 . 1 1 29 29 LYS H H 29 7.751 7.751 7.834 -0.083 25874 3611 1 20 . 1 1 30 30 CYS N N 30 111.794 111.794 113.387 -1.593 25874 3612 1 20 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.470 0.170 25874 3613 1 20 . 1 1 30 30 CYS H H 30 6.273 6.273 8.398 -2.125 25874 3614 1 20 . 1 1 31 31 HIS N N 31 118.519 118.519 121.316 -2.797 25874 3615 1 20 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.854 -1.789 25874 3616 1 20 . 1 1 31 31 HIS H H 31 7.120 7.120 8.714 -1.594 25874 3617 1 20 . 1 1 32 32 GLU N N 32 125.364 125.364 122.242 3.122 25874 3618 1 20 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.235 -0.539 25874 3619 1 20 . 1 1 32 32 GLU H H 32 7.986 7.986 8.341 -0.355 25874 3620 1 20 . 1 1 33 33 LYS N N 33 115.015 115.015 119.591 -4.576 25874 3621 1 20 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.400 -0.187 25874 3622 1 20 . 1 1 33 33 LYS H H 33 8.183 8.183 7.883 0.300 25874 3623 1 20 . 1 1 34 34 GLY N N 34 107.428 107.428 109.351 -1.923 25874 3624 1 20 . 1 1 34 34 GLY H H 34 6.624 6.624 7.587 -0.963 25874 3625 1 20 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.475 -2.839 25874 3626 1 20 . 1 1 36 36 GLY N N 36 109.389 109.389 107.431 1.958 25874 3627 1 20 . 1 1 36 36 GLY H H 36 3.873 3.873 7.541 -3.668 25874 3628 1 20 . 1 1 37 37 LYS N N 37 116.850 116.850 120.782 -3.932 25874 3629 1 20 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.438 -0.279 25874 3630 1 20 . 1 1 37 37 LYS H H 37 7.981 7.981 8.301 -0.320 25874 3631 1 20 . 1 1 38 38 ILE N N 38 128.778 128.778 122.791 5.987 25874 3632 1 20 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.323 -0.599 25874 3633 1 20 . 1 1 38 38 ILE H H 38 10.493 10.493 8.561 1.932 25874 3634 1 20 . 1 1 39 39 GLU N N 39 130.536 130.536 128.271 2.265 25874 3635 1 20 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.360 -0.342 25874 3636 1 20 . 1 1 39 39 GLU H H 39 8.595 8.595 9.016 -0.421 25874 3637 1 20 . 1 1 40 40 GLY N N 40 113.068 113.068 108.083 4.985 25874 3638 1 20 . 1 1 40 40 GLY H H 40 9.115 9.115 8.154 0.961 25874 3639 1 20 . 1 1 41 41 PHE N N 41 121.942 121.942 120.720 1.222 25874 3640 1 20 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.772 -0.472 25874 3641 1 20 . 1 1 41 41 PHE H H 41 8.010 8.010 7.495 0.515 25874 3642 1 20 . 1 1 42 42 GLY N N 42 114.942 114.942 108.341 6.601 25874 3643 1 20 . 1 1 42 42 GLY H H 42 5.768 5.768 6.379 -0.611 25874 3644 1 20 . 1 1 43 43 LYS N N 43 122.844 122.844 118.598 4.246 25874 3645 1 20 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.896 -0.594 25874 3646 1 20 . 1 1 43 43 LYS H H 43 8.884 8.884 8.311 0.573 25874 3647 1 20 . 1 1 44 44 GLU N N 44 115.043 115.043 119.445 -4.402 25874 3648 1 20 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.799 -0.755 25874 3649 1 20 . 1 1 44 44 GLU H H 44 7.923 7.923 8.009 -0.086 25874 3650 1 20 . 1 1 45 45 MET N N 45 118.080 118.080 118.484 -0.404 25874 3651 1 20 . 1 1 45 45 MET HA H 45 3.848 3.848 4.201 -0.353 25874 3652 1 20 . 1 1 45 45 MET H H 45 7.559 7.559 7.610 -0.051 25874 3653 1 20 . 1 1 46 46 ALA N N 46 122.871 122.871 120.212 2.659 25874 3654 1 20 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.808 0.152 25874 3655 1 20 . 1 1 46 46 ALA H H 46 7.907 7.907 7.617 0.290 25874 3656 1 20 . 1 1 47 47 HIS N N 47 113.174 113.174 116.020 -2.846 25874 3657 1 20 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.489 -1.772 25874 3658 1 20 . 1 1 47 47 HIS H H 47 6.721 6.721 8.111 -1.390 25874 3659 1 20 . 1 1 48 48 GLY N N 48 109.910 109.910 107.780 2.130 25874 3660 1 20 . 1 1 48 48 GLY H H 48 6.697 6.697 8.194 -1.497 25874 3661 1 20 . 1 1 49 49 LYS N N 49 125.155 125.155 121.500 3.655 25874 3662 1 20 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.165 -0.447 25874 3663 1 20 . 1 1 49 49 LYS H H 49 8.725 8.725 8.394 0.331 25874 3664 1 20 . 1 1 50 50 GLY N N 50 105.682 105.682 107.778 -2.096 25874 3665 1 20 . 1 1 50 50 GLY H H 50 8.455 8.455 8.220 0.235 25874 3666 1 20 . 1 1 51 51 CYS N N 51 110.903 110.903 117.371 -6.468 25874 3667 1 20 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.326 1.267 25874 3668 1 20 . 1 1 51 51 CYS H H 51 6.640 6.640 7.532 -0.892 25874 3669 1 20 . 1 1 52 52 LYS N N 52 120.482 120.482 120.433 0.049 25874 3670 1 20 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.189 -1.681 25874 3671 1 20 . 1 1 52 52 LYS H H 52 7.906 7.906 7.602 0.304 25874 3672 1 20 . 1 1 53 53 GLY N N 53 102.630 102.630 108.032 -5.402 25874 3673 1 20 . 1 1 53 53 GLY H H 53 8.549 8.549 8.027 0.522 25874 3674 1 20 . 1 1 54 54 CYS N N 54 120.890 120.890 118.934 1.956 25874 3675 1 20 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.546 -0.147 25874 3676 1 20 . 1 1 54 54 CYS H H 54 6.584 6.584 8.125 -1.541 25874 3677 1 20 . 1 1 55 55 HIS N N 55 117.794 117.794 119.639 -1.845 25874 3678 1 20 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.858 -1.148 25874 3679 1 20 . 1 1 55 55 HIS H H 55 5.404 5.404 7.657 -2.253 25874 3680 1 20 . 1 1 56 56 GLU N N 56 116.823 116.823 120.482 -3.659 25874 3681 1 20 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.042 -0.413 25874 3682 1 20 . 1 1 56 56 GLU H H 56 7.969 7.969 8.576 -0.607 25874 3683 1 20 . 1 1 57 57 GLU N N 57 120.523 120.523 117.728 2.795 25874 3684 1 20 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.046 -0.025 25874 3685 1 20 . 1 1 57 57 GLU H H 57 7.485 7.485 7.847 -0.362 25874 3686 1 20 . 1 1 58 58 MET N N 58 115.336 115.336 115.362 -0.026 25874 3687 1 20 . 1 1 58 58 MET HA H 58 4.352 4.352 4.478 -0.126 25874 3688 1 20 . 1 1 58 58 MET H H 58 8.866 8.866 7.557 1.309 25874 3689 1 20 . 1 1 59 59 LYS N N 59 114.369 114.369 116.147 -1.778 25874 3690 1 20 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.010 -0.297 25874 3691 1 20 . 1 1 59 59 LYS H H 59 7.691 7.691 8.194 -0.503 25874 3692 1 20 . 1 1 60 60 LYS N N 60 118.488 118.488 119.796 -1.308 25874 3693 1 20 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.537 -0.258 25874 3694 1 20 . 1 1 60 60 LYS H H 60 7.566 7.566 7.871 -0.305 25874 3695 1 20 . 1 1 61 61 GLY N N 61 103.494 103.494 110.220 -6.726 25874 3696 1 20 . 1 1 61 61 GLY H H 61 7.514 7.514 8.196 -0.682 25874 3697 1 20 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.642 -0.715 25874 3698 1 20 . 1 1 63 63 THR N N 63 109.032 109.032 113.093 -4.061 25874 3699 1 20 . 1 1 63 63 THR HA H 63 4.403 4.403 4.542 -0.139 25874 3700 1 20 . 1 1 63 63 THR H H 63 8.271 8.271 8.160 0.111 25874 3701 1 20 . 1 1 64 64 LYS N N 64 124.136 124.136 121.367 2.769 25874 3702 1 20 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.682 0.434 25874 3703 1 20 . 1 1 64 64 LYS H H 64 8.437 8.437 7.700 0.737 25874 3704 1 20 . 1 1 65 65 CYS N N 65 118.006 118.006 117.097 0.909 25874 3705 1 20 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.631 0.138 25874 3706 1 20 . 1 1 65 65 CYS H H 65 8.731 8.731 8.723 0.008 25874 3707 1 20 . 1 1 66 66 GLY N N 66 101.862 101.862 107.895 -6.033 25874 3708 1 20 . 1 1 66 66 GLY H H 66 8.809 8.809 8.488 0.321 25874 3709 1 20 . 1 1 67 67 GLU N N 67 116.476 116.476 120.135 -3.659 25874 3710 1 20 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.393 -0.232 25874 3711 1 20 . 1 1 67 67 GLU H H 67 7.694 7.694 7.644 0.050 25874 3712 1 20 . 1 1 68 68 CYS N N 68 114.694 114.694 116.954 -2.260 25874 3713 1 20 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.437 0.266 25874 3714 1 20 . 1 1 68 68 CYS H H 68 6.422 6.422 7.480 -1.058 25874 3715 1 20 . 1 1 69 69 HIS N N 69 117.752 117.752 119.616 -1.864 25874 3716 1 20 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.870 -2.130 25874 3717 1 20 . 1 1 69 69 HIS H H 69 6.901 6.901 7.959 -1.058 25874 3718 1 20 . 1 1 70 70 LYS N N 70 123.740 123.740 122.453 1.287 25874 3719 1 20 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.401 -0.161 25874 3720 1 20 . 1 1 70 70 LYS H H 70 7.214 7.214 7.694 -0.480 25874 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 64 3.338 0.364 3.344 25874 2 1 1 "Average Difference" HA 77 0.856 0.365 0.779 25874 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25874 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25874 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25874 6 1 1 "Average Difference" HN 64 0.982 0.269 0.952 25874 7 1 2 "Average Difference" N 64 3.441 0.174 3.463 25874 8 1 2 "Average Difference" HA 77 0.846 0.356 0.773 25874 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25874 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25874 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25874 12 1 2 "Average Difference" HN 64 1.046 0.327 1.002 25874 13 1 3 "Average Difference" N 64 3.493 0.225 3.514 25874 14 1 3 "Average Difference" HA 77 0.847 0.377 0.763 25874 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25874 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25874 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25874 18 1 3 "Average Difference" HN 64 0.991 0.306 0.950 25874 19 1 4 "Average Difference" N 64 3.423 0.387 3.428 25874 20 1 4 "Average Difference" HA 77 0.865 0.368 0.788 25874 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25874 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25874 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25874 24 1 4 "Average Difference" HN 64 1.068 0.305 1.031 25874 25 1 5 "Average Difference" N 64 3.370 0.287 3.384 25874 26 1 5 "Average Difference" HA 77 0.869 0.373 0.790 25874 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25874 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25874 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25874 30 1 5 "Average Difference" HN 64 1.010 0.286 0.977 25874 31 1 6 "Average Difference" N 64 3.502 0.250 3.521 25874 32 1 6 "Average Difference" HA 77 0.851 0.357 0.778 25874 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25874 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25874 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25874 36 1 6 "Average Difference" HN 64 1.005 0.299 0.967 25874 37 1 7 "Average Difference" N 64 3.436 0.235 3.455 25874 38 1 7 "Average Difference" HA 77 0.861 0.375 0.781 25874 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25874 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25874 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25874 42 1 7 "Average Difference" HN 64 0.978 0.285 0.943 25874 43 1 8 "Average Difference" N 64 3.297 0.345 3.305 25874 44 1 8 "Average Difference" HA 77 0.852 0.362 0.776 25874 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25874 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25874 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25874 48 1 8 "Average Difference" HN 64 1.022 0.285 0.989 25874 49 1 9 "Average Difference" N 64 3.468 0.242 3.486 25874 50 1 9 "Average Difference" HA 77 0.856 0.365 0.780 25874 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25874 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25874 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25874 54 1 9 "Average Difference" HN 64 0.995 0.267 0.966 25874 55 1 10 "Average Difference" N 64 3.405 0.322 3.416 25874 56 1 10 "Average Difference" HA 77 0.867 0.372 0.788 25874 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25874 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25874 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25874 60 1 10 "Average Difference" HN 64 0.963 0.283 0.928 25874 61 1 11 "Average Difference" N 64 3.387 0.320 3.399 25874 62 1 11 "Average Difference" HA 77 0.862 0.364 0.786 25874 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25874 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25874 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25874 66 1 11 "Average Difference" HN 64 1.030 0.299 0.993 25874 67 1 12 "Average Difference" N 64 3.370 0.144 3.393 25874 68 1 12 "Average Difference" HA 77 0.858 0.367 0.781 25874 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25874 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25874 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25874 72 1 12 "Average Difference" HN 64 1.009 0.290 0.974 25874 73 1 13 "Average Difference" N 64 3.371 0.395 3.374 25874 74 1 13 "Average Difference" HA 77 0.864 0.376 0.783 25874 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25874 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25874 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25874 78 1 13 "Average Difference" HN 64 1.064 0.317 1.024 25874 79 1 14 "Average Difference" N 64 3.372 0.347 3.380 25874 80 1 14 "Average Difference" HA 77 0.850 0.363 0.774 25874 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25874 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25874 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25874 84 1 14 "Average Difference" HN 64 0.973 0.267 0.943 25874 85 1 15 "Average Difference" N 64 3.458 0.149 3.482 25874 86 1 15 "Average Difference" HA 77 0.859 0.366 0.783 25874 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25874 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25874 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25874 90 1 15 "Average Difference" HN 64 1.013 0.301 0.975 25874 91 1 16 "Average Difference" N 64 3.472 0.428 3.473 25874 92 1 16 "Average Difference" HA 77 0.854 0.370 0.775 25874 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25874 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25874 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25874 96 1 16 "Average Difference" HN 64 0.992 0.284 0.958 25874 97 1 17 "Average Difference" N 64 3.511 0.265 3.529 25874 98 1 17 "Average Difference" HA 77 0.855 0.358 0.782 25874 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25874 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25874 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25874 102 1 17 "Average Difference" HN 64 1.011 0.312 0.969 25874 103 1 18 "Average Difference" N 64 3.465 0.193 3.487 25874 104 1 18 "Average Difference" HA 77 0.856 0.375 0.775 25874 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25874 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25874 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25874 108 1 18 "Average Difference" HN 64 1.039 0.299 1.003 25874 109 1 19 "Average Difference" N 64 3.596 0.176 3.620 25874 110 1 19 "Average Difference" HA 77 0.858 0.383 0.772 25874 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25874 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25874 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25874 114 1 19 "Average Difference" HN 64 1.015 0.301 0.977 25874 115 1 20 "Average Difference" N 64 3.418 0.188 3.440 25874 116 1 20 "Average Difference" HA 77 0.864 0.382 0.780 25874 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25874 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25874 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25874 120 1 20 "Average Difference" HN 64 1.029 0.294 0.994 25874 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 25874 _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 ASP HA H 2 4.768 4.768 4.494 0.274 25874 2 1 . 1 1 3 3 ASP N N 3 116.646 116.646 118.950 -2.304 25874 3 1 . 1 1 3 3 ASP HA H 3 4.570 4.570 4.488 0.082 25874 4 1 . 1 1 3 3 ASP H H 3 7.252 7.252 7.989 -0.737 25874 5 1 . 1 1 4 4 ILE N N 4 122.597 122.597 119.119 3.478 25874 6 1 . 1 1 4 4 ILE HA H 4 3.774 3.774 4.160 -0.386 25874 7 1 . 1 1 4 4 ILE H H 4 8.202 8.202 8.080 0.122 25874 8 1 . 1 1 5 5 VAL N N 5 127.035 127.035 124.222 2.813 25874 9 1 . 1 1 5 5 VAL H H 5 8.390 8.390 8.186 0.204 25874 10 1 . 1 1 6 6 PHE N N 6 129.504 129.504 126.050 3.454 25874 11 1 . 1 1 6 6 PHE HA H 6 5.079 5.079 4.735 0.344 25874 12 1 . 1 1 6 6 PHE H H 6 9.545 9.545 8.341 1.204 25874 13 1 . 1 1 7 7 LYS N N 7 125.467 125.467 125.435 0.032 25874 14 1 . 1 1 7 7 LYS HA H 7 4.457 4.457 4.351 0.106 25874 15 1 . 1 1 7 7 LYS H H 7 8.850 8.850 8.775 0.075 25874 16 1 . 1 1 8 8 ALA N N 8 124.878 124.878 127.753 -2.875 25874 17 1 . 1 1 8 8 ALA HA H 8 4.841 4.841 4.675 0.166 25874 18 1 . 1 1 8 8 ALA H H 8 8.255 8.255 8.234 0.020 25874 19 1 . 1 1 9 9 LYS N N 9 125.448 125.448 121.690 3.758 25874 20 1 . 1 1 9 9 LYS HA H 9 3.973 3.973 4.285 -0.312 25874 21 1 . 1 1 9 9 LYS H H 9 10.288 10.288 8.725 1.563 25874 22 1 . 1 1 10 10 ASN N N 10 113.783 113.783 116.487 -2.704 25874 23 1 . 1 1 10 10 ASN HA H 10 4.253 4.253 4.842 -0.589 25874 24 1 . 1 1 10 10 ASN H H 10 8.773 8.773 7.996 0.777 25874 25 1 . 1 1 11 11 GLY N N 11 110.396 110.396 107.672 2.724 25874 26 1 . 1 1 11 11 GLY H H 11 6.968 6.968 7.438 -0.470 25874 27 1 . 1 1 12 12 ASP N N 12 129.103 129.103 123.094 6.009 25874 28 1 . 1 1 12 12 ASP HA H 12 4.405 4.405 4.722 -0.317 25874 29 1 . 1 1 12 12 ASP H H 12 7.962 7.962 8.381 -0.419 25874 30 1 . 1 1 13 13 VAL N N 13 121.052 121.052 124.885 -3.833 25874 31 1 . 1 1 13 13 VAL HA H 13 4.274 4.274 4.486 -0.212 25874 32 1 . 1 1 13 13 VAL H H 13 8.620 8.620 8.057 0.563 25874 33 1 . 1 1 14 14 LYS N N 14 129.063 129.063 127.926 1.137 25874 34 1 . 1 1 14 14 LYS HA H 14 4.608 4.608 4.620 -0.012 25874 35 1 . 1 1 14 14 LYS H H 14 9.012 9.012 8.431 0.581 25874 36 1 . 1 1 15 15 PHE N N 15 127.819 127.819 124.680 3.139 25874 37 1 . 1 1 15 15 PHE HA H 15 5.681 5.681 5.102 0.579 25874 38 1 . 1 1 15 15 PHE H H 15 9.449 9.449 8.524 0.925 25874 39 1 . 1 1 16 16 PRO HA H 16 4.570 4.570 4.623 -0.053 25874 40 1 . 1 1 17 17 HIS N N 17 132.614 132.614 125.889 6.725 25874 41 1 . 1 1 17 17 HIS HA H 17 0.817 0.817 3.778 -2.961 25874 42 1 . 1 1 17 17 HIS H H 17 6.540 6.540 8.203 -1.663 25874 43 1 . 1 1 18 18 LYS N N 18 118.133 118.133 119.740 -1.607 25874 44 1 . 1 1 18 18 LYS HA H 18 2.576 2.576 3.951 -1.375 25874 45 1 . 1 1 18 18 LYS H H 18 7.325 7.325 8.329 -1.004 25874 46 1 . 1 1 19 19 ALA N N 19 120.621 120.621 120.174 0.447 25874 47 1 . 1 1 19 19 ALA HA H 19 3.396 3.396 4.091 -0.695 25874 48 1 . 1 1 19 19 ALA H H 19 7.014 7.014 8.093 -1.079 25874 49 1 . 1 1 20 20 HIS N N 20 116.674 116.674 116.924 -0.250 25874 50 1 . 1 1 20 20 HIS HA H 20 2.492 2.492 4.351 -1.859 25874 51 1 . 1 1 20 20 HIS H H 20 6.376 6.376 8.203 -1.827 25874 52 1 . 1 1 21 21 GLN N N 21 117.448 117.448 116.711 0.737 25874 53 1 . 1 1 21 21 GLN HA H 21 4.064 4.064 4.145 -0.081 25874 54 1 . 1 1 21 21 GLN H H 21 6.796 6.796 7.875 -1.079 25874 55 1 . 1 1 22 22 LYS N N 22 115.279 115.279 117.653 -2.374 25874 56 1 . 1 1 22 22 LYS HA H 22 4.016 4.016 4.325 -0.309 25874 57 1 . 1 1 22 22 LYS H H 22 6.578 6.578 7.823 -1.246 25874 58 1 . 1 1 23 23 ALA N N 23 120.362 120.362 121.960 -1.598 25874 59 1 . 1 1 23 23 ALA HA H 23 4.194 4.194 4.319 -0.125 25874 60 1 . 1 1 23 23 ALA H H 23 6.963 6.963 7.571 -0.608 25874 61 1 . 1 1 24 24 VAL N N 24 120.608 120.608 119.510 1.098 25874 62 1 . 1 1 24 24 VAL HA H 24 4.597 4.597 4.474 0.123 25874 63 1 . 1 1 24 24 VAL H H 24 8.369 8.369 7.841 0.528 25874 64 1 . 1 1 25 25 PRO HA H 25 4.774 4.774 4.450 0.324 25874 65 1 . 1 1 26 26 ASP N N 26 117.853 117.853 120.397 -2.544 25874 66 1 . 1 1 26 26 ASP HA H 26 5.078 5.078 4.511 0.567 25874 67 1 . 1 1 26 26 ASP H H 26 7.828 7.828 8.413 -0.585 25874 68 1 . 1 1 27 27 CYS N N 27 123.776 123.776 124.863 -1.087 25874 69 1 . 1 1 27 27 CYS HA H 27 4.964 4.964 4.495 0.469 25874 70 1 . 1 1 27 27 CYS H H 27 8.544 8.544 8.714 -0.170 25874 71 1 . 1 1 28 28 LYS N N 28 114.260 114.260 121.222 -6.962 25874 72 1 . 1 1 28 28 LYS HA H 28 3.497 3.497 4.255 -0.758 25874 73 1 . 1 1 28 28 LYS H H 28 8.062 8.062 8.232 -0.170 25874 74 1 . 1 1 29 29 LYS N N 29 118.718 118.718 116.654 2.064 25874 75 1 . 1 1 29 29 LYS HA H 29 4.033 4.033 4.155 -0.122 25874 76 1 . 1 1 29 29 LYS H H 29 7.751 7.751 7.935 -0.184 25874 77 1 . 1 1 30 30 CYS N N 30 111.794 111.794 113.526 -1.732 25874 78 1 . 1 1 30 30 CYS HA H 30 4.640 4.640 4.506 0.134 25874 79 1 . 1 1 30 30 CYS H H 30 6.273 6.273 8.412 -2.139 25874 80 1 . 1 1 31 31 HIS N N 31 118.519 118.519 121.052 -2.533 25874 81 1 . 1 1 31 31 HIS HA H 31 3.065 3.065 4.894 -1.829 25874 82 1 . 1 1 31 31 HIS H H 31 7.120 7.120 8.673 -1.553 25874 83 1 . 1 1 32 32 GLU N N 32 125.364 125.364 122.132 3.232 25874 84 1 . 1 1 32 32 GLU HA H 32 3.696 3.696 4.200 -0.504 25874 85 1 . 1 1 32 32 GLU H H 32 7.986 7.986 8.235 -0.249 25874 86 1 . 1 1 33 33 LYS N N 33 115.015 115.015 119.221 -4.206 25874 87 1 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.390 -0.177 25874 88 1 . 1 1 33 33 LYS H H 33 8.183 8.183 7.935 0.248 25874 89 1 . 1 1 34 34 GLY N N 34 107.428 107.428 109.420 -1.992 25874 90 1 . 1 1 34 34 GLY H H 34 6.624 6.624 7.646 -1.022 25874 91 1 . 1 1 35 35 PRO HA H 35 0.636 0.636 3.542 -2.906 25874 92 1 . 1 1 36 36 GLY N N 36 109.389 109.389 107.312 2.077 25874 93 1 . 1 1 36 36 GLY H H 36 3.873 3.873 7.548 -3.675 25874 94 1 . 1 1 37 37 LYS N N 37 116.850 116.850 120.596 -3.746 25874 95 1 . 1 1 37 37 LYS HA H 37 4.159 4.159 4.453 -0.294 25874 96 1 . 1 1 37 37 LYS H H 37 7.981 7.981 8.342 -0.361 25874 97 1 . 1 1 38 38 ILE N N 38 128.778 128.778 122.487 6.291 25874 98 1 . 1 1 38 38 ILE HA H 38 3.724 3.724 4.350 -0.626 25874 99 1 . 1 1 38 38 ILE H H 38 10.493 10.493 8.533 1.960 25874 100 1 . 1 1 39 39 GLU N N 39 130.536 130.536 128.028 2.508 25874 101 1 . 1 1 39 39 GLU HA H 39 4.018 4.018 4.214 -0.196 25874 102 1 . 1 1 39 39 GLU H H 39 8.595 8.595 9.099 -0.504 25874 103 1 . 1 1 40 40 GLY N N 40 113.068 113.068 112.403 0.665 25874 104 1 . 1 1 40 40 GLY H H 40 9.115 9.115 8.368 0.747 25874 105 1 . 1 1 41 41 PHE N N 41 121.942 121.942 121.620 0.322 25874 106 1 . 1 1 41 41 PHE HA H 41 4.300 4.300 4.395 -0.095 25874 107 1 . 1 1 41 41 PHE H H 41 8.010 8.010 7.906 0.104 25874 108 1 . 1 1 42 42 GLY N N 42 114.942 114.942 108.479 6.463 25874 109 1 . 1 1 42 42 GLY H H 42 5.768 5.768 6.307 -0.539 25874 110 1 . 1 1 43 43 LYS N N 43 122.844 122.844 118.590 4.254 25874 111 1 . 1 1 43 43 LYS HA H 43 2.302 2.302 2.915 -0.613 25874 112 1 . 1 1 43 43 LYS H H 43 8.884 8.884 8.336 0.548 25874 113 1 . 1 1 44 44 GLU N N 44 115.043 115.043 119.630 -4.587 25874 114 1 . 1 1 44 44 GLU HA H 44 3.044 3.044 3.793 -0.749 25874 115 1 . 1 1 44 44 GLU H H 44 7.923 7.923 7.981 -0.058 25874 116 1 . 1 1 45 45 MET N N 45 118.080 118.080 118.418 -0.338 25874 117 1 . 1 1 45 45 MET HA H 45 3.848 3.848 4.154 -0.306 25874 118 1 . 1 1 45 45 MET H H 45 7.559 7.559 7.604 -0.045 25874 119 1 . 1 1 46 46 ALA N N 46 122.871 122.871 120.138 2.733 25874 120 1 . 1 1 46 46 ALA HA H 46 3.960 3.960 3.730 0.230 25874 121 1 . 1 1 46 46 ALA H H 46 7.907 7.907 7.491 0.416 25874 122 1 . 1 1 47 47 HIS N N 47 113.174 113.174 115.844 -2.670 25874 123 1 . 1 1 47 47 HIS HA H 47 2.717 2.717 4.471 -1.754 25874 124 1 . 1 1 47 47 HIS H H 47 6.721 6.721 8.093 -1.372 25874 125 1 . 1 1 48 48 GLY N N 48 109.910 109.910 107.770 2.140 25874 126 1 . 1 1 48 48 GLY H H 48 6.697 6.697 8.150 -1.453 25874 127 1 . 1 1 49 49 LYS N N 49 125.155 125.155 121.259 3.896 25874 128 1 . 1 1 49 49 LYS HA H 49 3.718 3.718 4.190 -0.472 25874 129 1 . 1 1 49 49 LYS H H 49 8.725 8.725 8.365 0.360 25874 130 1 . 1 1 50 50 GLY N N 50 105.682 105.682 107.866 -2.184 25874 131 1 . 1 1 50 50 GLY H H 50 8.455 8.455 8.136 0.319 25874 132 1 . 1 1 51 51 CYS N N 51 110.903 110.903 117.519 -6.616 25874 133 1 . 1 1 51 51 CYS HA H 51 5.593 5.593 4.288 1.305 25874 134 1 . 1 1 51 51 CYS H H 51 6.640 6.640 7.524 -0.884 25874 135 1 . 1 1 52 52 LYS N N 52 120.482 120.482 120.687 -0.205 25874 136 1 . 1 1 52 52 LYS HA H 52 2.508 2.508 4.154 -1.646 25874 137 1 . 1 1 52 52 LYS H H 52 7.906 7.906 7.556 0.350 25874 138 1 . 1 1 53 53 GLY N N 53 102.630 102.630 107.739 -5.109 25874 139 1 . 1 1 53 53 GLY H H 53 8.549 8.549 7.987 0.562 25874 140 1 . 1 1 54 54 CYS N N 54 120.890 120.890 118.809 2.081 25874 141 1 . 1 1 54 54 CYS HA H 54 4.399 4.399 4.641 -0.242 25874 142 1 . 1 1 54 54 CYS H H 54 6.584 6.584 7.915 -1.331 25874 143 1 . 1 1 55 55 HIS N N 55 117.794 117.794 119.637 -1.843 25874 144 1 . 1 1 55 55 HIS HA H 55 3.710 3.710 4.815 -1.105 25874 145 1 . 1 1 55 55 HIS H H 55 5.404 5.404 7.661 -2.257 25874 146 1 . 1 1 56 56 GLU N N 56 116.823 116.823 120.520 -3.697 25874 147 1 . 1 1 56 56 GLU HA H 56 3.629 3.629 4.002 -0.373 25874 148 1 . 1 1 56 56 GLU H H 56 7.969 7.969 8.539 -0.571 25874 149 1 . 1 1 57 57 GLU N N 57 120.523 120.523 117.732 2.791 25874 150 1 . 1 1 57 57 GLU HA H 57 4.021 4.021 4.068 -0.047 25874 151 1 . 1 1 57 57 GLU H H 57 7.485 7.485 7.856 -0.371 25874 152 1 . 1 1 58 58 MET N N 58 115.336 115.336 115.208 0.128 25874 153 1 . 1 1 58 58 MET HA H 58 4.352 4.352 4.510 -0.158 25874 154 1 . 1 1 58 58 MET H H 58 8.866 8.866 7.660 1.206 25874 155 1 . 1 1 59 59 LYS N N 59 114.369 114.369 117.231 -2.862 25874 156 1 . 1 1 59 59 LYS HA H 59 3.713 3.713 4.018 -0.305 25874 157 1 . 1 1 59 59 LYS H H 59 7.691 7.691 8.120 -0.429 25874 158 1 . 1 1 60 60 LYS N N 60 118.488 118.488 119.408 -0.920 25874 159 1 . 1 1 60 60 LYS HA H 60 4.279 4.279 4.526 -0.247 25874 160 1 . 1 1 60 60 LYS H H 60 7.566 7.566 7.744 -0.178 25874 161 1 . 1 1 61 61 GLY N N 61 103.494 103.494 110.299 -6.805 25874 162 1 . 1 1 61 61 GLY H H 61 7.514 7.514 8.263 -0.749 25874 163 1 . 1 1 62 62 PRO HA H 62 3.927 3.927 4.606 -0.679 25874 164 1 . 1 1 63 63 THR N N 63 109.032 109.032 114.520 -5.488 25874 165 1 . 1 1 63 63 THR HA H 63 4.403 4.403 4.446 -0.043 25874 166 1 . 1 1 63 63 THR H H 63 8.271 8.271 8.140 0.131 25874 167 1 . 1 1 64 64 LYS N N 64 124.136 124.136 121.787 2.349 25874 168 1 . 1 1 64 64 LYS HA H 64 5.116 5.116 4.667 0.449 25874 169 1 . 1 1 64 64 LYS H H 64 8.437 8.437 7.656 0.781 25874 170 1 . 1 1 65 65 CYS N N 65 118.006 118.006 117.215 0.791 25874 171 1 . 1 1 65 65 CYS HA H 65 4.769 4.769 4.614 0.154 25874 172 1 . 1 1 65 65 CYS H H 65 8.731 8.731 8.670 0.061 25874 173 1 . 1 1 66 66 GLY N N 66 101.862 101.862 107.850 -5.988 25874 174 1 . 1 1 66 66 GLY H H 66 8.809 8.809 8.421 0.388 25874 175 1 . 1 1 67 67 GLU N N 67 116.476 116.476 120.025 -3.549 25874 176 1 . 1 1 67 67 GLU HA H 67 4.161 4.161 4.436 -0.275 25874 177 1 . 1 1 67 67 GLU H H 67 7.694 7.694 7.642 0.052 25874 178 1 . 1 1 68 68 CYS N N 68 114.694 114.694 116.939 -2.245 25874 179 1 . 1 1 68 68 CYS HA H 68 4.703 4.703 4.409 0.294 25874 180 1 . 1 1 68 68 CYS H H 68 6.422 6.422 7.486 -1.064 25874 181 1 . 1 1 69 69 HIS N N 69 117.752 117.752 119.450 -1.698 25874 182 1 . 1 1 69 69 HIS HA H 69 2.740 2.740 4.890 -2.150 25874 183 1 . 1 1 69 69 HIS H H 69 6.901 6.901 7.929 -1.028 25874 184 1 . 1 1 70 70 LYS N N 70 123.740 123.740 122.319 1.421 25874 185 1 . 1 1 70 70 LYS HA H 70 4.240 4.240 4.434 -0.194 25874 186 1 . 1 1 70 70 LYS H H 70 7.214 7.214 7.741 -0.527 25874 stop_ save_