data_17489 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17489 _Entry.PDB_ID 2L9V 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 17489 _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 11 11 ASN N N 12 119.980 119.980 119.398 0.582 17489 2 1 1 . 1 1 11 11 ASN HA H 12 4.692 4.692 4.892 -0.200 17489 3 1 1 . 1 1 11 11 ASN CA C 12 53.862 53.862 53.605 0.258 17489 4 1 1 . 1 1 11 11 ASN H H 12 8.406 8.406 8.948 -0.542 17489 5 1 1 . 1 1 12 12 THR N N 13 112.320 112.320 115.760 -3.440 17489 6 1 1 . 1 1 12 12 THR HA H 13 4.435 4.435 4.526 -0.091 17489 7 1 1 . 1 1 12 12 THR C C 13 174.968 174.968 174.318 0.650 17489 8 1 1 . 1 1 12 12 THR CA C 13 61.114 61.114 61.337 -0.224 17489 9 1 1 . 1 1 12 12 THR H H 13 7.868 7.868 7.922 -0.054 17489 10 1 1 . 1 1 13 13 LYS N N 14 122.764 122.764 125.872 -3.108 17489 11 1 1 . 1 1 13 13 LYS HA H 14 4.220 4.220 3.860 0.360 17489 12 1 1 . 1 1 13 13 LYS C C 14 177.768 177.768 178.294 -0.526 17489 13 1 1 . 1 1 13 13 LYS CA C 14 58.108 58.108 60.769 -2.661 17489 14 1 1 . 1 1 13 13 LYS H H 14 9.495 9.495 8.860 0.635 17489 15 1 1 . 1 1 14 14 GLU N N 15 120.850 120.850 119.210 1.640 17489 16 1 1 . 1 1 14 14 GLU HA H 15 4.122 4.122 3.961 0.161 17489 17 1 1 . 1 1 14 14 GLU C C 15 177.989 177.989 178.626 -0.637 17489 18 1 1 . 1 1 14 14 GLU CA C 15 58.487 58.487 59.521 -1.034 17489 19 1 1 . 1 1 14 14 GLU H H 15 8.304 8.304 8.653 -0.349 17489 20 1 1 . 1 1 15 15 GLU N N 16 121.042 121.042 118.661 2.381 17489 21 1 1 . 1 1 15 15 GLU HA H 16 4.195 4.195 3.628 0.567 17489 22 1 1 . 1 1 15 15 GLU C C 16 177.809 177.809 177.937 -0.128 17489 23 1 1 . 1 1 15 15 GLU CA C 16 58.063 58.063 58.184 -0.121 17489 24 1 1 . 1 1 15 15 GLU H H 16 8.165 8.165 8.222 -0.057 17489 25 1 1 . 1 1 16 16 ALA N N 17 123.692 123.692 122.207 1.485 17489 26 1 1 . 1 1 16 16 ALA HA H 17 3.857 3.857 3.687 0.170 17489 27 1 1 . 1 1 16 16 ALA C C 17 178.494 178.494 178.994 -0.500 17489 28 1 1 . 1 1 16 16 ALA CA C 17 54.016 54.016 54.834 -0.818 17489 29 1 1 . 1 1 16 16 ALA H H 17 7.929 7.929 7.873 0.056 17489 30 1 1 . 1 1 17 17 LYS N N 18 119.118 119.118 117.738 1.380 17489 31 1 1 . 1 1 17 17 LYS HA H 18 4.063 4.063 3.786 0.277 17489 32 1 1 . 1 1 17 17 LYS C C 18 178.031 178.031 178.859 -0.828 17489 33 1 1 . 1 1 17 17 LYS CA C 18 58.710 58.710 59.628 -0.918 17489 34 1 1 . 1 1 17 17 LYS H H 18 7.962 7.962 7.762 0.200 17489 35 1 1 . 1 1 18 18 GLN N N 19 119.841 119.841 119.112 0.729 17489 36 1 1 . 1 1 18 18 GLN C C 19 176.953 176.953 178.029 -1.076 17489 37 1 1 . 1 1 18 18 GLN CA C 19 57.371 57.371 58.451 -1.080 17489 38 1 1 . 1 1 18 18 GLN H H 19 7.999 7.999 7.698 0.301 17489 39 1 1 . 1 1 19 19 ALA N N 20 123.397 123.397 122.214 1.183 17489 40 1 1 . 1 1 19 19 ALA HA H 20 4.185 4.185 4.397 -0.212 17489 41 1 1 . 1 1 19 19 ALA C C 20 178.456 178.456 179.757 -1.301 17489 42 1 1 . 1 1 19 19 ALA CA C 20 54.148 54.148 54.768 -0.620 17489 43 1 1 . 1 1 19 19 ALA H H 20 8.007 8.007 7.642 0.365 17489 44 1 1 . 1 1 20 20 PHE N N 21 119.266 119.266 117.609 1.657 17489 45 1 1 . 1 1 20 20 PHE HA H 21 4.327 4.327 4.112 0.215 17489 46 1 1 . 1 1 20 20 PHE C C 21 176.183 176.183 178.329 -2.146 17489 47 1 1 . 1 1 20 20 PHE CA C 21 59.670 59.670 59.459 0.211 17489 48 1 1 . 1 1 20 20 PHE H H 21 8.049 8.049 7.936 0.113 17489 49 1 1 . 1 1 21 21 LYS N N 22 120.665 120.665 119.571 1.094 17489 50 1 1 . 1 1 21 21 LYS HA H 22 3.990 3.990 3.988 0.002 17489 51 1 1 . 1 1 21 21 LYS C C 22 178.052 178.052 179.109 -1.057 17489 52 1 1 . 1 1 21 21 LYS CA C 22 58.903 58.903 60.076 -1.173 17489 53 1 1 . 1 1 21 21 LYS H H 22 7.912 7.912 8.391 -0.479 17489 54 1 1 . 1 1 22 22 GLU N N 23 120.435 120.435 119.343 1.092 17489 55 1 1 . 1 1 22 22 GLU HA H 23 4.132 4.132 3.993 0.139 17489 56 1 1 . 1 1 22 22 GLU C C 23 177.367 177.367 178.862 -1.495 17489 57 1 1 . 1 1 22 22 GLU CA C 23 58.106 58.106 59.566 -1.460 17489 58 1 1 . 1 1 22 22 GLU H H 23 8.073 8.073 8.105 -0.032 17489 59 1 1 . 1 1 23 23 ALA N N 24 123.786 123.786 122.367 1.419 17489 60 1 1 . 1 1 23 23 ALA HA H 24 4.099 4.099 3.833 0.266 17489 61 1 1 . 1 1 23 23 ALA C C 24 178.713 178.713 179.462 -0.749 17489 62 1 1 . 1 1 23 23 ALA CA C 24 54.248 54.248 54.700 -0.452 17489 63 1 1 . 1 1 23 23 ALA H H 24 8.057 8.057 7.907 0.150 17489 64 1 1 . 1 1 24 24 LEU N N 25 119.319 119.319 119.331 -0.012 17489 65 1 1 . 1 1 24 24 LEU C C 25 178.595 178.595 178.980 -0.385 17489 66 1 1 . 1 1 24 24 LEU H H 25 7.892 7.892 8.250 -0.358 17489 67 1 1 . 1 1 25 25 LYS N N 26 120.783 120.783 119.422 1.361 17489 68 1 1 . 1 1 25 25 LYS HA H 26 4.374 4.374 3.977 0.397 17489 69 1 1 . 1 1 25 25 LYS C C 26 177.655 177.655 179.645 -1.990 17489 70 1 1 . 1 1 25 25 LYS CA C 26 58.024 58.024 59.995 -1.971 17489 71 1 1 . 1 1 25 25 LYS H H 26 7.803 7.803 8.106 -0.303 17489 72 1 1 . 1 1 26 26 GLU N N 27 120.184 120.184 119.718 0.466 17489 73 1 1 . 1 1 26 26 GLU HA H 27 4.212 4.212 4.175 0.037 17489 74 1 1 . 1 1 26 26 GLU C C 27 176.628 176.628 178.057 -1.429 17489 75 1 1 . 1 1 26 26 GLU CA C 27 57.339 57.339 58.676 -1.337 17489 76 1 1 . 1 1 26 26 GLU H H 27 8.016 8.016 7.832 0.184 17489 77 1 1 . 1 1 27 27 LYS N N 28 119.854 119.854 116.369 3.485 17489 78 1 1 . 1 1 27 27 LYS HA H 28 4.265 4.265 4.415 -0.150 17489 79 1 1 . 1 1 27 27 LYS C C 28 176.019 176.019 175.757 0.262 17489 80 1 1 . 1 1 27 27 LYS CA C 28 55.918 55.918 54.822 1.096 17489 81 1 1 . 1 1 27 27 LYS H H 28 8.101 8.101 7.721 0.380 17489 82 1 1 . 1 1 28 28 ARG N N 29 120.694 120.694 117.214 3.480 17489 83 1 1 . 1 1 28 28 ARG HA H 29 4.252 4.252 3.938 0.314 17489 84 1 1 . 1 1 28 28 ARG C C 29 176.036 176.036 175.885 0.151 17489 85 1 1 . 1 1 28 28 ARG CA C 29 56.321 56.321 56.806 -0.485 17489 86 1 1 . 1 1 28 28 ARG H H 29 8.170 8.170 7.662 0.508 17489 87 1 1 . 1 1 29 29 VAL N N 30 121.196 121.196 120.490 0.706 17489 88 1 1 . 1 1 29 29 VAL H H 30 7.961 7.961 7.916 0.045 17489 89 1 1 . 1 1 30 30 PRO HA H 31 4.416 4.416 4.449 -0.033 17489 90 1 1 . 1 1 30 30 PRO C C 31 177.177 177.177 177.597 -0.420 17489 91 1 1 . 1 1 30 30 PRO CA C 31 62.849 62.849 63.007 -0.158 17489 92 1 1 . 1 1 31 31 SER N N 32 116.064 116.064 117.460 -1.396 17489 93 1 1 . 1 1 31 31 SER HA H 32 4.322 4.322 4.209 0.113 17489 94 1 1 . 1 1 31 31 SER C C 32 174.622 174.622 174.709 -0.087 17489 95 1 1 . 1 1 31 31 SER CA C 32 59.338 59.338 60.865 -1.527 17489 96 1 1 . 1 1 31 31 SER H H 32 8.399 8.399 8.711 -0.312 17489 97 1 1 . 1 1 32 32 ASN N N 33 119.120 119.120 118.753 0.367 17489 98 1 1 . 1 1 32 32 ASN HA H 33 4.705 4.705 4.795 -0.090 17489 99 1 1 . 1 1 32 32 ASN C C 33 175.221 175.221 174.611 0.610 17489 100 1 1 . 1 1 32 32 ASN CA C 33 52.789 52.789 53.015 -0.226 17489 101 1 1 . 1 1 32 32 ASN H H 33 8.235 8.235 8.025 0.210 17489 102 1 1 . 1 1 33 33 ALA N N 34 123.533 123.533 123.099 0.434 17489 103 1 1 . 1 1 33 33 ALA HA H 34 4.289 4.289 4.562 -0.273 17489 104 1 1 . 1 1 33 33 ALA C C 34 178.235 178.235 177.505 0.730 17489 105 1 1 . 1 1 33 33 ALA CA C 34 52.847 52.847 51.544 1.303 17489 106 1 1 . 1 1 33 33 ALA H H 34 7.948 7.948 7.399 0.549 17489 107 1 1 . 1 1 34 34 SER N N 35 115.510 115.510 119.100 -3.590 17489 108 1 1 . 1 1 34 34 SER HA H 35 4.535 4.535 4.605 -0.070 17489 109 1 1 . 1 1 34 34 SER C C 35 175.129 175.129 175.503 -0.374 17489 110 1 1 . 1 1 34 34 SER CA C 35 57.986 57.986 57.077 0.909 17489 111 1 1 . 1 1 34 34 SER H H 35 8.255 8.255 8.398 -0.143 17489 112 1 1 . 1 1 35 35 TRP N N 36 123.351 123.351 124.627 -1.276 17489 113 1 1 . 1 1 35 35 TRP HA H 36 4.313 4.313 4.339 -0.026 17489 114 1 1 . 1 1 35 35 TRP C C 36 177.081 177.081 177.579 -0.498 17489 115 1 1 . 1 1 35 35 TRP CA C 36 59.360 59.360 61.194 -1.834 17489 116 1 1 . 1 1 35 35 TRP H H 36 8.083 8.083 9.122 -1.039 17489 117 1 1 . 1 1 36 36 GLU N N 37 119.014 119.014 118.608 0.406 17489 118 1 1 . 1 1 36 36 GLU HA H 37 3.700 3.700 3.812 -0.112 17489 119 1 1 . 1 1 36 36 GLU C C 37 178.317 178.317 178.526 -0.209 17489 120 1 1 . 1 1 36 36 GLU CA C 37 59.332 59.332 60.009 -0.677 17489 121 1 1 . 1 1 36 36 GLU H H 37 8.070 8.070 8.665 -0.595 17489 122 1 1 . 1 1 37 37 GLN N N 38 118.887 118.887 118.458 0.429 17489 123 1 1 . 1 1 37 37 GLN HA H 38 4.101 4.101 3.988 0.113 17489 124 1 1 . 1 1 37 37 GLN C C 38 177.593 177.593 178.544 -0.951 17489 125 1 1 . 1 1 37 37 GLN H H 38 7.822 7.822 7.654 0.168 17489 126 1 1 . 1 1 38 38 ALA N N 39 122.732 122.732 122.311 0.421 17489 127 1 1 . 1 1 38 38 ALA HA H 39 4.056 4.056 3.877 0.179 17489 128 1 1 . 1 1 38 38 ALA C C 39 179.122 179.122 179.294 -0.172 17489 129 1 1 . 1 1 38 38 ALA CA C 39 54.470 54.470 54.908 -0.438 17489 130 1 1 . 1 1 38 38 ALA H H 39 8.118 8.118 8.005 0.113 17489 131 1 1 . 1 1 39 39 MET N N 40 116.548 116.548 116.411 0.137 17489 132 1 1 . 1 1 39 39 MET HA H 40 4.116 4.116 3.837 0.279 17489 133 1 1 . 1 1 39 39 MET C C 40 177.425 177.425 178.319 -0.894 17489 134 1 1 . 1 1 39 39 MET CA C 40 56.856 56.856 56.258 0.598 17489 135 1 1 . 1 1 39 39 MET H H 40 8.003 8.003 7.657 0.346 17489 136 1 1 . 1 1 40 40 LYS N N 41 119.136 119.136 118.656 0.480 17489 137 1 1 . 1 1 40 40 LYS HA H 41 4.035 4.035 3.916 0.119 17489 138 1 1 . 1 1 40 40 LYS C C 41 177.546 177.546 178.832 -1.286 17489 139 1 1 . 1 1 40 40 LYS CA C 41 58.454 58.454 59.602 -1.148 17489 140 1 1 . 1 1 41 41 MET N N 42 117.901 117.901 115.781 2.120 17489 141 1 1 . 1 1 41 41 MET HA H 42 4.309 4.309 4.223 0.086 17489 142 1 1 . 1 1 41 41 MET C C 42 177.178 177.178 177.720 -0.542 17489 143 1 1 . 1 1 41 41 MET CA C 42 57.094 57.094 57.016 0.078 17489 144 1 1 . 1 1 41 41 MET H H 42 7.732 7.732 7.351 0.381 17489 145 1 1 . 1 1 42 42 ILE N N 43 119.588 119.588 112.376 7.212 17489 146 1 1 . 1 1 42 42 ILE HA H 43 4.054 4.054 4.382 -0.328 17489 147 1 1 . 1 1 42 42 ILE C C 43 176.560 176.560 176.795 -0.235 17489 148 1 1 . 1 1 42 42 ILE H H 43 7.766 7.766 7.521 0.245 17489 149 1 1 . 1 1 43 43 ILE N N 44 120.275 120.275 120.746 -0.471 17489 150 1 1 . 1 1 43 43 ILE C C 44 176.056 176.056 177.175 -1.119 17489 151 1 1 . 1 1 43 43 ILE H H 44 7.899 7.899 7.906 -0.007 17489 152 1 1 . 1 1 44 44 ASN N N 45 119.135 119.135 117.309 1.826 17489 153 1 1 . 1 1 44 44 ASN HA H 45 4.711 4.711 4.639 0.072 17489 154 1 1 . 1 1 44 44 ASN CA C 45 53.323 53.323 54.685 -1.362 17489 155 1 1 . 1 1 44 44 ASN H H 45 7.900 7.900 7.777 0.122 17489 156 1 1 . 1 1 45 45 ASP N N 46 122.730 122.730 119.968 2.762 17489 157 1 1 . 1 1 45 45 ASP HA H 46 4.997 4.997 5.098 -0.101 17489 158 1 1 . 1 1 45 45 ASP CA C 46 51.864 51.864 50.748 1.116 17489 159 1 1 . 1 1 45 45 ASP H H 46 7.854 7.854 7.755 0.099 17489 160 1 1 . 1 1 46 46 PRO HA H 47 4.420 4.420 4.254 0.166 17489 161 1 1 . 1 1 46 46 PRO C C 47 178.053 178.053 178.645 -0.592 17489 162 1 1 . 1 1 46 46 PRO CA C 47 64.209 64.209 64.729 -0.520 17489 163 1 1 . 1 1 47 47 ARG N N 48 118.377 118.377 117.643 0.734 17489 164 1 1 . 1 1 47 47 ARG HA H 48 4.061 4.061 3.974 0.087 17489 165 1 1 . 1 1 47 47 ARG C C 48 177.487 177.487 177.227 0.260 17489 166 1 1 . 1 1 47 47 ARG CA C 48 57.229 57.229 58.523 -1.294 17489 167 1 1 . 1 1 47 47 ARG H H 48 8.341 8.341 8.224 0.117 17489 168 1 1 . 1 1 48 48 TYR N N 49 117.876 117.876 116.206 1.670 17489 169 1 1 . 1 1 48 48 TYR HA H 49 4.604 4.604 4.832 -0.228 17489 170 1 1 . 1 1 48 48 TYR C C 49 176.515 176.515 175.424 1.091 17489 171 1 1 . 1 1 48 48 TYR CA C 49 58.172 58.172 56.339 1.833 17489 172 1 1 . 1 1 48 48 TYR H H 49 7.706 7.706 7.994 -0.288 17489 173 1 1 . 1 1 49 49 SER N N 50 115.731 115.731 117.320 -1.589 17489 174 1 1 . 1 1 49 49 SER HA H 50 4.275 4.275 4.158 0.117 17489 175 1 1 . 1 1 49 49 SER C C 50 175.374 175.374 176.153 -0.779 17489 176 1 1 . 1 1 49 49 SER CA C 50 60.656 60.656 61.615 -0.959 17489 177 1 1 . 1 1 49 49 SER H H 50 7.865 7.865 7.800 0.065 17489 178 1 1 . 1 1 50 50 ALA N N 51 124.648 124.648 123.821 0.827 17489 179 1 1 . 1 1 50 50 ALA HA H 51 4.240 4.240 4.225 0.015 17489 180 1 1 . 1 1 50 50 ALA C C 51 178.939 178.939 179.529 -0.590 17489 181 1 1 . 1 1 50 50 ALA CA C 51 53.898 53.898 54.627 -0.729 17489 182 1 1 . 1 1 50 50 ALA H H 51 8.236 8.236 8.499 -0.263 17489 183 1 1 . 1 1 51 51 LEU N N 52 118.847 118.847 119.151 -0.304 17489 184 1 1 . 1 1 51 51 LEU C C 52 178.032 178.032 178.971 -0.939 17489 185 1 1 . 1 1 51 51 LEU H H 52 7.863 7.863 7.877 -0.014 17489 186 1 1 . 1 1 52 52 ALA N N 53 122.637 122.637 122.895 -0.258 17489 187 1 1 . 1 1 52 52 ALA HA H 53 4.187 4.187 3.917 0.270 17489 188 1 1 . 1 1 52 52 ALA C C 53 178.553 178.553 179.765 -1.212 17489 189 1 1 . 1 1 52 52 ALA CA C 53 53.690 53.690 55.236 -1.546 17489 190 1 1 . 1 1 52 52 ALA H H 53 7.812 7.812 8.419 -0.607 17489 191 1 1 . 1 1 53 53 LYS N N 54 118.359 118.359 118.420 -0.061 17489 192 1 1 . 1 1 53 53 LYS HA H 54 4.230 4.230 4.115 0.115 17489 193 1 1 . 1 1 53 53 LYS C C 54 177.462 177.462 178.661 -1.199 17489 194 1 1 . 1 1 53 53 LYS CA C 54 56.909 56.909 59.117 -2.208 17489 195 1 1 . 1 1 53 53 LYS H H 54 7.829 7.829 7.915 -0.086 17489 196 1 1 . 1 1 54 54 LEU N N 55 121.619 121.619 121.789 -0.170 17489 197 1 1 . 1 1 54 54 LEU C C 55 177.949 177.949 178.120 -0.171 17489 198 1 1 . 1 1 54 54 LEU H H 55 7.740 7.740 8.106 -0.366 17489 199 1 1 . 1 1 55 55 SER N N 56 115.311 115.311 113.503 1.808 17489 200 1 1 . 1 1 55 55 SER HA H 56 4.233 4.233 4.458 -0.225 17489 201 1 1 . 1 1 55 55 SER CA C 56 59.078 59.078 61.439 -2.361 17489 202 1 1 . 1 1 55 55 SER H H 56 7.965 7.965 8.302 -0.337 17489 203 1 1 . 1 1 56 56 GLU N N 57 122.414 122.414 120.725 1.689 17489 204 1 1 . 1 1 56 56 GLU CA C 57 56.682 56.682 57.602 -0.921 17489 205 1 1 . 1 1 56 56 GLU H H 57 8.059 8.059 7.835 0.224 17489 206 1 1 . 1 1 57 57 LYS N N 58 121.832 121.832 118.236 3.596 17489 207 1 1 . 1 1 57 57 LYS C C 58 176.820 176.820 177.131 -0.311 17489 208 1 1 . 1 1 57 57 LYS CA C 58 56.768 56.768 58.289 -1.522 17489 209 1 1 . 1 1 57 57 LYS H H 58 8.097 8.097 7.885 0.212 17489 210 1 2 . 1 1 11 11 ASN N N 12 119.980 119.980 120.425 -0.445 17489 211 1 2 . 1 1 11 11 ASN HA H 12 4.692 4.692 4.881 -0.189 17489 212 1 2 . 1 1 11 11 ASN CA C 12 53.862 53.862 53.703 0.159 17489 213 1 2 . 1 1 11 11 ASN H H 12 8.406 8.406 8.840 -0.434 17489 214 1 2 . 1 1 12 12 THR N N 13 112.320 112.320 116.097 -3.777 17489 215 1 2 . 1 1 12 12 THR HA H 13 4.435 4.435 4.614 -0.179 17489 216 1 2 . 1 1 12 12 THR C C 13 174.968 174.968 174.248 0.720 17489 217 1 2 . 1 1 12 12 THR CA C 13 61.114 61.114 61.632 -0.518 17489 218 1 2 . 1 1 12 12 THR H H 13 7.868 7.868 8.116 -0.248 17489 219 1 2 . 1 1 13 13 LYS N N 14 122.764 122.764 127.287 -4.523 17489 220 1 2 . 1 1 13 13 LYS HA H 14 4.220 4.220 3.944 0.276 17489 221 1 2 . 1 1 13 13 LYS C C 14 177.768 177.768 178.246 -0.478 17489 222 1 2 . 1 1 13 13 LYS CA C 14 58.108 58.108 60.103 -1.995 17489 223 1 2 . 1 1 13 13 LYS H H 14 9.495 9.495 8.936 0.559 17489 224 1 2 . 1 1 14 14 GLU N N 15 120.850 120.850 119.686 1.164 17489 225 1 2 . 1 1 14 14 GLU HA H 15 4.122 4.122 4.075 0.047 17489 226 1 2 . 1 1 14 14 GLU C C 15 177.989 177.989 178.970 -0.981 17489 227 1 2 . 1 1 14 14 GLU CA C 15 58.487 58.487 59.703 -1.216 17489 228 1 2 . 1 1 14 14 GLU H H 15 8.304 8.304 8.814 -0.510 17489 229 1 2 . 1 1 15 15 GLU N N 16 121.042 121.042 119.608 1.434 17489 230 1 2 . 1 1 15 15 GLU HA H 16 4.195 4.195 4.134 0.061 17489 231 1 2 . 1 1 15 15 GLU C C 16 177.809 177.809 178.574 -0.765 17489 232 1 2 . 1 1 15 15 GLU CA C 16 58.063 58.063 58.929 -0.867 17489 233 1 2 . 1 1 15 15 GLU H H 16 8.165 8.165 8.557 -0.392 17489 234 1 2 . 1 1 16 16 ALA N N 17 123.692 123.692 122.759 0.933 17489 235 1 2 . 1 1 16 16 ALA HA H 17 3.857 3.857 3.390 0.467 17489 236 1 2 . 1 1 16 16 ALA C C 17 178.494 178.494 179.323 -0.829 17489 237 1 2 . 1 1 16 16 ALA CA C 17 54.016 54.016 54.933 -0.917 17489 238 1 2 . 1 1 16 16 ALA H H 17 7.929 7.929 8.160 -0.231 17489 239 1 2 . 1 1 17 17 LYS N N 18 119.118 119.118 118.405 0.713 17489 240 1 2 . 1 1 17 17 LYS HA H 18 4.063 4.063 3.877 0.186 17489 241 1 2 . 1 1 17 17 LYS C C 18 178.031 178.031 178.894 -0.863 17489 242 1 2 . 1 1 17 17 LYS CA C 18 58.710 58.710 59.424 -0.714 17489 243 1 2 . 1 1 17 17 LYS H H 18 7.962 7.962 8.025 -0.063 17489 244 1 2 . 1 1 18 18 GLN N N 19 119.841 119.841 119.444 0.397 17489 245 1 2 . 1 1 18 18 GLN C C 19 176.953 176.953 178.122 -1.169 17489 246 1 2 . 1 1 18 18 GLN CA C 19 57.371 57.371 58.524 -1.153 17489 247 1 2 . 1 1 18 18 GLN H H 19 7.999 7.999 7.955 0.044 17489 248 1 2 . 1 1 19 19 ALA N N 20 123.397 123.397 122.260 1.137 17489 249 1 2 . 1 1 19 19 ALA HA H 20 4.185 4.185 4.295 -0.110 17489 250 1 2 . 1 1 19 19 ALA C C 20 178.456 178.456 179.376 -0.920 17489 251 1 2 . 1 1 19 19 ALA CA C 20 54.148 54.148 54.668 -0.520 17489 252 1 2 . 1 1 19 19 ALA H H 20 8.007 8.007 8.126 -0.119 17489 253 1 2 . 1 1 20 20 PHE N N 21 119.266 119.266 119.068 0.198 17489 254 1 2 . 1 1 20 20 PHE HA H 21 4.327 4.327 3.949 0.378 17489 255 1 2 . 1 1 20 20 PHE C C 21 176.183 176.183 177.248 -1.065 17489 256 1 2 . 1 1 20 20 PHE CA C 21 59.670 59.670 61.460 -1.790 17489 257 1 2 . 1 1 20 20 PHE H H 21 8.049 8.049 7.987 0.062 17489 258 1 2 . 1 1 21 21 LYS N N 22 120.665 120.665 118.610 2.055 17489 259 1 2 . 1 1 21 21 LYS HA H 22 3.990 3.990 3.776 0.214 17489 260 1 2 . 1 1 21 21 LYS C C 22 178.052 178.052 179.011 -0.959 17489 261 1 2 . 1 1 21 21 LYS CA C 22 58.903 58.903 59.911 -1.008 17489 262 1 2 . 1 1 21 21 LYS H H 22 7.912 7.912 8.180 -0.268 17489 263 1 2 . 1 1 22 22 GLU N N 23 120.435 120.435 119.626 0.809 17489 264 1 2 . 1 1 22 22 GLU HA H 23 4.132 4.132 3.968 0.164 17489 265 1 2 . 1 1 22 22 GLU C C 23 177.367 177.367 178.838 -1.471 17489 266 1 2 . 1 1 22 22 GLU CA C 23 58.106 58.106 59.149 -1.043 17489 267 1 2 . 1 1 22 22 GLU H H 23 8.073 8.073 7.983 0.090 17489 268 1 2 . 1 1 23 23 ALA N N 24 123.786 123.786 122.548 1.238 17489 269 1 2 . 1 1 23 23 ALA HA H 24 4.099 4.099 3.608 0.491 17489 270 1 2 . 1 1 23 23 ALA C C 24 178.713 178.713 179.264 -0.551 17489 271 1 2 . 1 1 23 23 ALA CA C 24 54.248 54.248 54.491 -0.243 17489 272 1 2 . 1 1 23 23 ALA H H 24 8.057 8.057 7.946 0.111 17489 273 1 2 . 1 1 24 24 LEU N N 25 119.319 119.319 119.158 0.161 17489 274 1 2 . 1 1 24 24 LEU C C 25 178.595 178.595 178.945 -0.350 17489 275 1 2 . 1 1 24 24 LEU H H 25 7.892 7.892 7.873 0.019 17489 276 1 2 . 1 1 25 25 LYS N N 26 120.783 120.783 118.716 2.067 17489 277 1 2 . 1 1 25 25 LYS HA H 26 4.374 4.374 3.913 0.461 17489 278 1 2 . 1 1 25 25 LYS C C 26 177.655 177.655 179.650 -1.995 17489 279 1 2 . 1 1 25 25 LYS CA C 26 58.024 58.024 59.797 -1.774 17489 280 1 2 . 1 1 25 25 LYS H H 26 7.803 7.803 7.622 0.181 17489 281 1 2 . 1 1 26 26 GLU N N 27 120.184 120.184 119.962 0.222 17489 282 1 2 . 1 1 26 26 GLU HA H 27 4.212 4.212 4.113 0.099 17489 283 1 2 . 1 1 26 26 GLU C C 27 176.628 176.628 177.597 -0.969 17489 284 1 2 . 1 1 26 26 GLU CA C 27 57.339 57.339 58.618 -1.279 17489 285 1 2 . 1 1 26 26 GLU H H 27 8.016 8.016 7.903 0.113 17489 286 1 2 . 1 1 27 27 LYS N N 28 119.854 119.854 115.964 3.890 17489 287 1 2 . 1 1 27 27 LYS HA H 28 4.265 4.265 4.389 -0.124 17489 288 1 2 . 1 1 27 27 LYS C C 28 176.019 176.019 175.922 0.097 17489 289 1 2 . 1 1 27 27 LYS CA C 28 55.918 55.918 54.269 1.649 17489 290 1 2 . 1 1 27 27 LYS H H 28 8.101 8.101 7.627 0.474 17489 291 1 2 . 1 1 28 28 ARG N N 29 120.694 120.694 116.600 4.094 17489 292 1 2 . 1 1 28 28 ARG HA H 29 4.252 4.252 3.914 0.338 17489 293 1 2 . 1 1 28 28 ARG C C 29 176.036 176.036 175.843 0.193 17489 294 1 2 . 1 1 28 28 ARG CA C 29 56.321 56.321 56.819 -0.498 17489 295 1 2 . 1 1 28 28 ARG H H 29 8.170 8.170 7.591 0.579 17489 296 1 2 . 1 1 29 29 VAL N N 30 121.196 121.196 120.346 0.850 17489 297 1 2 . 1 1 29 29 VAL H H 30 7.961 7.961 7.848 0.113 17489 298 1 2 . 1 1 30 30 PRO HA H 31 4.416 4.416 4.445 -0.029 17489 299 1 2 . 1 1 30 30 PRO C C 31 177.177 177.177 177.271 -0.094 17489 300 1 2 . 1 1 30 30 PRO CA C 31 62.849 62.849 63.062 -0.214 17489 301 1 2 . 1 1 31 31 SER N N 32 116.064 116.064 116.735 -0.671 17489 302 1 2 . 1 1 31 31 SER HA H 32 4.322 4.322 4.167 0.155 17489 303 1 2 . 1 1 31 31 SER C C 32 174.622 174.622 174.662 -0.040 17489 304 1 2 . 1 1 31 31 SER CA C 32 59.338 59.338 60.243 -0.905 17489 305 1 2 . 1 1 31 31 SER H H 32 8.399 8.399 8.572 -0.173 17489 306 1 2 . 1 1 32 32 ASN N N 33 119.120 119.120 118.660 0.460 17489 307 1 2 . 1 1 32 32 ASN HA H 33 4.705 4.705 4.824 -0.119 17489 308 1 2 . 1 1 32 32 ASN C C 33 175.221 175.221 174.630 0.591 17489 309 1 2 . 1 1 32 32 ASN CA C 33 52.789 52.789 53.044 -0.255 17489 310 1 2 . 1 1 32 32 ASN H H 33 8.235 8.235 8.003 0.232 17489 311 1 2 . 1 1 33 33 ALA N N 34 123.533 123.533 123.842 -0.309 17489 312 1 2 . 1 1 33 33 ALA HA H 34 4.289 4.289 4.408 -0.119 17489 313 1 2 . 1 1 33 33 ALA C C 34 178.235 178.235 177.153 1.082 17489 314 1 2 . 1 1 33 33 ALA CA C 34 52.847 52.847 52.127 0.720 17489 315 1 2 . 1 1 33 33 ALA H H 34 7.948 7.948 7.454 0.494 17489 316 1 2 . 1 1 34 34 SER N N 35 115.510 115.510 118.774 -3.264 17489 317 1 2 . 1 1 34 34 SER HA H 35 4.535 4.535 4.498 0.037 17489 318 1 2 . 1 1 34 34 SER C C 35 175.129 175.129 175.560 -0.431 17489 319 1 2 . 1 1 34 34 SER CA C 35 57.986 57.986 57.059 0.927 17489 320 1 2 . 1 1 34 34 SER H H 35 8.255 8.255 8.133 0.122 17489 321 1 2 . 1 1 35 35 TRP N N 36 123.351 123.351 124.056 -0.705 17489 322 1 2 . 1 1 35 35 TRP HA H 36 4.313 4.313 4.404 -0.091 17489 323 1 2 . 1 1 35 35 TRP C C 36 177.081 177.081 177.790 -0.709 17489 324 1 2 . 1 1 35 35 TRP CA C 36 59.360 59.360 61.255 -1.895 17489 325 1 2 . 1 1 35 35 TRP H H 36 8.083 8.083 9.038 -0.955 17489 326 1 2 . 1 1 36 36 GLU N N 37 119.014 119.014 118.634 0.380 17489 327 1 2 . 1 1 36 36 GLU HA H 37 3.700 3.700 3.755 -0.055 17489 328 1 2 . 1 1 36 36 GLU C C 37 178.317 178.317 178.465 -0.148 17489 329 1 2 . 1 1 36 36 GLU CA C 37 59.332 59.332 59.617 -0.285 17489 330 1 2 . 1 1 36 36 GLU H H 37 8.070 8.070 8.787 -0.717 17489 331 1 2 . 1 1 37 37 GLN N N 38 118.887 118.887 119.678 -0.791 17489 332 1 2 . 1 1 37 37 GLN HA H 38 4.101 4.101 4.034 0.067 17489 333 1 2 . 1 1 37 37 GLN C C 38 177.593 177.593 178.229 -0.636 17489 334 1 2 . 1 1 37 37 GLN H H 38 7.822 7.822 7.728 0.094 17489 335 1 2 . 1 1 38 38 ALA N N 39 122.732 122.732 121.900 0.832 17489 336 1 2 . 1 1 38 38 ALA HA H 39 4.056 4.056 3.949 0.107 17489 337 1 2 . 1 1 38 38 ALA C C 39 179.122 179.122 179.634 -0.512 17489 338 1 2 . 1 1 38 38 ALA CA C 39 54.470 54.470 54.824 -0.354 17489 339 1 2 . 1 1 38 38 ALA H H 39 8.118 8.118 8.177 -0.059 17489 340 1 2 . 1 1 39 39 MET N N 40 116.548 116.548 118.793 -2.245 17489 341 1 2 . 1 1 39 39 MET HA H 40 4.116 4.116 3.931 0.185 17489 342 1 2 . 1 1 39 39 MET C C 40 177.425 177.425 177.954 -0.529 17489 343 1 2 . 1 1 39 39 MET CA C 40 56.856 56.856 59.026 -2.170 17489 344 1 2 . 1 1 39 39 MET H H 40 8.003 8.003 8.026 -0.023 17489 345 1 2 . 1 1 40 40 LYS N N 41 119.136 119.136 118.778 0.358 17489 346 1 2 . 1 1 40 40 LYS HA H 41 4.035 4.035 3.957 0.078 17489 347 1 2 . 1 1 40 40 LYS C C 41 177.546 177.546 179.205 -1.659 17489 348 1 2 . 1 1 40 40 LYS CA C 41 58.454 58.454 59.482 -1.028 17489 349 1 2 . 1 1 41 41 MET N N 42 117.901 117.901 117.155 0.746 17489 350 1 2 . 1 1 41 41 MET HA H 42 4.309 4.309 4.182 0.127 17489 351 1 2 . 1 1 41 41 MET C C 42 177.178 177.178 177.942 -0.764 17489 352 1 2 . 1 1 41 41 MET CA C 42 57.094 57.094 57.884 -0.790 17489 353 1 2 . 1 1 41 41 MET H H 42 7.732 7.732 7.919 -0.187 17489 354 1 2 . 1 1 42 42 ILE N N 43 119.588 119.588 118.657 0.931 17489 355 1 2 . 1 1 42 42 ILE HA H 43 4.054 4.054 4.019 0.035 17489 356 1 2 . 1 1 42 42 ILE C C 43 176.560 176.560 178.637 -2.077 17489 357 1 2 . 1 1 42 42 ILE H H 43 7.766 7.766 7.651 0.115 17489 358 1 2 . 1 1 43 43 ILE N N 44 120.275 120.275 121.833 -1.558 17489 359 1 2 . 1 1 43 43 ILE C C 44 176.056 176.056 177.169 -1.113 17489 360 1 2 . 1 1 43 43 ILE H H 44 7.899 7.899 8.380 -0.481 17489 361 1 2 . 1 1 44 44 ASN N N 45 119.135 119.135 115.009 4.126 17489 362 1 2 . 1 1 44 44 ASN HA H 45 4.711 4.711 4.659 0.052 17489 363 1 2 . 1 1 44 44 ASN CA C 45 53.323 53.323 54.059 -0.736 17489 364 1 2 . 1 1 44 44 ASN H H 45 7.900 7.900 7.887 0.013 17489 365 1 2 . 1 1 45 45 ASP N N 46 122.730 122.730 120.984 1.746 17489 366 1 2 . 1 1 45 45 ASP HA H 46 4.997 4.997 5.117 -0.120 17489 367 1 2 . 1 1 45 45 ASP CA C 46 51.864 51.864 50.667 1.197 17489 368 1 2 . 1 1 45 45 ASP H H 46 7.854 7.854 7.715 0.139 17489 369 1 2 . 1 1 46 46 PRO HA H 47 4.420 4.420 4.197 0.223 17489 370 1 2 . 1 1 46 46 PRO C C 47 178.053 178.053 178.419 -0.366 17489 371 1 2 . 1 1 46 46 PRO CA C 47 64.209 64.209 64.649 -0.440 17489 372 1 2 . 1 1 47 47 ARG N N 48 118.377 118.377 119.691 -1.314 17489 373 1 2 . 1 1 47 47 ARG HA H 48 4.061 4.061 3.872 0.189 17489 374 1 2 . 1 1 47 47 ARG C C 48 177.487 177.487 177.293 0.194 17489 375 1 2 . 1 1 47 47 ARG CA C 48 57.229 57.229 58.713 -1.484 17489 376 1 2 . 1 1 47 47 ARG H H 48 8.341 8.341 8.164 0.177 17489 377 1 2 . 1 1 48 48 TYR N N 49 117.876 117.876 117.317 0.559 17489 378 1 2 . 1 1 48 48 TYR HA H 49 4.604 4.604 4.892 -0.288 17489 379 1 2 . 1 1 48 48 TYR C C 49 176.515 176.515 175.731 0.784 17489 380 1 2 . 1 1 48 48 TYR CA C 49 58.172 58.172 55.905 2.267 17489 381 1 2 . 1 1 48 48 TYR H H 49 7.706 7.706 7.887 -0.181 17489 382 1 2 . 1 1 49 49 SER N N 50 115.731 115.731 117.963 -2.232 17489 383 1 2 . 1 1 49 49 SER HA H 50 4.275 4.275 4.147 0.128 17489 384 1 2 . 1 1 49 49 SER C C 50 175.374 175.374 176.018 -0.644 17489 385 1 2 . 1 1 49 49 SER CA C 50 60.656 60.656 62.269 -1.613 17489 386 1 2 . 1 1 49 49 SER H H 50 7.865 7.865 8.163 -0.298 17489 387 1 2 . 1 1 50 50 ALA N N 51 124.648 124.648 124.478 0.170 17489 388 1 2 . 1 1 50 50 ALA HA H 51 4.240 4.240 4.294 -0.054 17489 389 1 2 . 1 1 50 50 ALA C C 51 178.939 178.939 179.899 -0.960 17489 390 1 2 . 1 1 50 50 ALA CA C 51 53.898 53.898 54.774 -0.876 17489 391 1 2 . 1 1 50 50 ALA H H 51 8.236 8.236 8.558 -0.322 17489 392 1 2 . 1 1 51 51 LEU N N 52 118.847 118.847 119.605 -0.758 17489 393 1 2 . 1 1 51 51 LEU C C 52 178.032 178.032 179.060 -1.028 17489 394 1 2 . 1 1 51 51 LEU H H 52 7.863 7.863 7.996 -0.133 17489 395 1 2 . 1 1 52 52 ALA N N 53 122.637 122.637 122.712 -0.075 17489 396 1 2 . 1 1 52 52 ALA HA H 53 4.187 4.187 4.101 0.086 17489 397 1 2 . 1 1 52 52 ALA C C 53 178.553 178.553 179.821 -1.268 17489 398 1 2 . 1 1 52 52 ALA CA C 53 53.690 53.690 55.265 -1.575 17489 399 1 2 . 1 1 52 52 ALA H H 53 7.812 7.812 8.434 -0.622 17489 400 1 2 . 1 1 53 53 LYS N N 54 118.359 118.359 118.524 -0.165 17489 401 1 2 . 1 1 53 53 LYS HA H 54 4.230 4.230 4.163 0.067 17489 402 1 2 . 1 1 53 53 LYS C C 54 177.462 177.462 179.408 -1.946 17489 403 1 2 . 1 1 53 53 LYS CA C 54 56.909 56.909 58.956 -2.047 17489 404 1 2 . 1 1 53 53 LYS H H 54 7.829 7.829 7.944 -0.115 17489 405 1 2 . 1 1 54 54 LEU N N 55 121.619 121.619 122.391 -0.772 17489 406 1 2 . 1 1 54 54 LEU C C 55 177.949 177.949 178.632 -0.683 17489 407 1 2 . 1 1 54 54 LEU H H 55 7.740 7.740 8.181 -0.441 17489 408 1 2 . 1 1 55 55 SER N N 56 115.311 115.311 114.824 0.487 17489 409 1 2 . 1 1 55 55 SER HA H 56 4.233 4.233 4.332 -0.099 17489 410 1 2 . 1 1 55 55 SER CA C 56 59.078 59.078 60.989 -1.911 17489 411 1 2 . 1 1 55 55 SER H H 56 7.965 7.965 8.107 -0.142 17489 412 1 2 . 1 1 56 56 GLU N N 57 122.414 122.414 118.950 3.464 17489 413 1 2 . 1 1 56 56 GLU CA C 57 56.682 56.682 56.518 0.164 17489 414 1 2 . 1 1 56 56 GLU H H 57 8.059 8.059 7.745 0.314 17489 415 1 2 . 1 1 57 57 LYS N N 58 121.832 121.832 121.164 0.668 17489 416 1 2 . 1 1 57 57 LYS C C 58 176.820 176.820 175.499 1.321 17489 417 1 2 . 1 1 57 57 LYS CA C 58 56.768 56.768 56.205 0.563 17489 418 1 2 . 1 1 57 57 LYS H H 58 8.097 8.097 7.733 0.364 17489 419 1 3 . 1 1 11 11 ASN N N 12 119.980 119.980 120.304 -0.324 17489 420 1 3 . 1 1 11 11 ASN HA H 12 4.692 4.692 4.754 -0.062 17489 421 1 3 . 1 1 11 11 ASN CA C 12 53.862 53.862 55.317 -1.455 17489 422 1 3 . 1 1 11 11 ASN H H 12 8.406 8.406 8.715 -0.309 17489 423 1 3 . 1 1 12 12 THR N N 13 112.320 112.320 108.950 3.370 17489 424 1 3 . 1 1 12 12 THR HA H 13 4.435 4.435 4.671 -0.236 17489 425 1 3 . 1 1 12 12 THR C C 13 174.968 174.968 174.994 -0.026 17489 426 1 3 . 1 1 12 12 THR CA C 13 61.114 61.114 60.188 0.926 17489 427 1 3 . 1 1 12 12 THR H H 13 7.868 7.868 7.605 0.263 17489 428 1 3 . 1 1 13 13 LYS N N 14 122.764 122.764 120.502 2.262 17489 429 1 3 . 1 1 13 13 LYS HA H 14 4.220 4.220 3.985 0.235 17489 430 1 3 . 1 1 13 13 LYS C C 14 177.768 177.768 178.796 -1.028 17489 431 1 3 . 1 1 13 13 LYS CA C 14 58.108 58.108 60.693 -2.585 17489 432 1 3 . 1 1 13 13 LYS H H 14 9.495 9.495 8.700 0.795 17489 433 1 3 . 1 1 14 14 GLU N N 15 120.850 120.850 119.187 1.663 17489 434 1 3 . 1 1 14 14 GLU HA H 15 4.122 4.122 4.088 0.034 17489 435 1 3 . 1 1 14 14 GLU C C 15 177.989 177.989 178.988 -0.999 17489 436 1 3 . 1 1 14 14 GLU CA C 15 58.487 58.487 59.665 -1.178 17489 437 1 3 . 1 1 14 14 GLU H H 15 8.304 8.304 8.694 -0.390 17489 438 1 3 . 1 1 15 15 GLU N N 16 121.042 121.042 120.154 0.888 17489 439 1 3 . 1 1 15 15 GLU HA H 16 4.195 4.195 4.079 0.116 17489 440 1 3 . 1 1 15 15 GLU C C 16 177.809 177.809 178.971 -1.162 17489 441 1 3 . 1 1 15 15 GLU CA C 16 58.063 58.063 59.355 -1.292 17489 442 1 3 . 1 1 15 15 GLU H H 16 8.165 8.165 7.876 0.289 17489 443 1 3 . 1 1 16 16 ALA N N 17 123.692 123.692 122.244 1.448 17489 444 1 3 . 1 1 16 16 ALA HA H 17 3.857 3.857 4.289 -0.432 17489 445 1 3 . 1 1 16 16 ALA C C 17 178.494 178.494 179.813 -1.319 17489 446 1 3 . 1 1 16 16 ALA CA C 17 54.016 54.016 55.380 -1.364 17489 447 1 3 . 1 1 16 16 ALA H H 17 7.929 7.929 8.257 -0.328 17489 448 1 3 . 1 1 17 17 LYS N N 18 119.118 119.118 119.053 0.065 17489 449 1 3 . 1 1 17 17 LYS HA H 18 4.063 4.063 4.024 0.039 17489 450 1 3 . 1 1 17 17 LYS C C 18 178.031 178.031 179.347 -1.316 17489 451 1 3 . 1 1 17 17 LYS CA C 18 58.710 58.710 59.956 -1.246 17489 452 1 3 . 1 1 17 17 LYS H H 18 7.962 7.962 8.047 -0.085 17489 453 1 3 . 1 1 18 18 GLN N N 19 119.841 119.841 118.934 0.907 17489 454 1 3 . 1 1 18 18 GLN C C 19 176.953 176.953 178.591 -1.638 17489 455 1 3 . 1 1 18 18 GLN CA C 19 57.371 57.371 58.818 -1.447 17489 456 1 3 . 1 1 18 18 GLN H H 19 7.999 7.999 8.131 -0.132 17489 457 1 3 . 1 1 19 19 ALA N N 20 123.397 123.397 122.771 0.626 17489 458 1 3 . 1 1 19 19 ALA HA H 20 4.185 4.185 4.346 -0.161 17489 459 1 3 . 1 1 19 19 ALA C C 20 178.456 178.456 179.382 -0.926 17489 460 1 3 . 1 1 19 19 ALA CA C 20 54.148 54.148 54.751 -0.603 17489 461 1 3 . 1 1 19 19 ALA H H 20 8.007 8.007 8.454 -0.447 17489 462 1 3 . 1 1 20 20 PHE N N 21 119.266 119.266 119.432 -0.166 17489 463 1 3 . 1 1 20 20 PHE HA H 21 4.327 4.327 4.077 0.250 17489 464 1 3 . 1 1 20 20 PHE C C 21 176.183 176.183 177.217 -1.034 17489 465 1 3 . 1 1 20 20 PHE CA C 21 59.670 59.670 61.429 -1.759 17489 466 1 3 . 1 1 20 20 PHE H H 21 8.049 8.049 8.267 -0.218 17489 467 1 3 . 1 1 21 21 LYS N N 22 120.665 120.665 118.706 1.959 17489 468 1 3 . 1 1 21 21 LYS HA H 22 3.990 3.990 3.765 0.225 17489 469 1 3 . 1 1 21 21 LYS C C 22 178.052 178.052 179.099 -1.047 17489 470 1 3 . 1 1 21 21 LYS CA C 22 58.903 58.903 59.942 -1.039 17489 471 1 3 . 1 1 21 21 LYS H H 22 7.912 7.912 8.035 -0.123 17489 472 1 3 . 1 1 22 22 GLU N N 23 120.435 120.435 119.025 1.410 17489 473 1 3 . 1 1 22 22 GLU HA H 23 4.132 4.132 3.969 0.163 17489 474 1 3 . 1 1 22 22 GLU C C 23 177.367 177.367 178.686 -1.319 17489 475 1 3 . 1 1 22 22 GLU CA C 23 58.106 58.106 59.221 -1.115 17489 476 1 3 . 1 1 22 22 GLU H H 23 8.073 8.073 7.945 0.128 17489 477 1 3 . 1 1 23 23 ALA N N 24 123.786 123.786 122.757 1.029 17489 478 1 3 . 1 1 23 23 ALA HA H 24 4.099 4.099 3.759 0.340 17489 479 1 3 . 1 1 23 23 ALA C C 24 178.713 178.713 179.208 -0.495 17489 480 1 3 . 1 1 23 23 ALA CA C 24 54.248 54.248 54.511 -0.263 17489 481 1 3 . 1 1 23 23 ALA H H 24 8.057 8.057 8.011 0.046 17489 482 1 3 . 1 1 24 24 LEU N N 25 119.319 119.319 119.152 0.167 17489 483 1 3 . 1 1 24 24 LEU C C 25 178.595 178.595 178.858 -0.263 17489 484 1 3 . 1 1 24 24 LEU H H 25 7.892 7.892 7.991 -0.099 17489 485 1 3 . 1 1 25 25 LYS N N 26 120.783 120.783 118.687 2.096 17489 486 1 3 . 1 1 25 25 LYS HA H 26 4.374 4.374 3.942 0.432 17489 487 1 3 . 1 1 25 25 LYS C C 26 177.655 177.655 179.638 -1.983 17489 488 1 3 . 1 1 25 25 LYS CA C 26 58.024 58.024 59.818 -1.794 17489 489 1 3 . 1 1 25 25 LYS H H 26 7.803 7.803 7.395 0.408 17489 490 1 3 . 1 1 26 26 GLU N N 27 120.184 120.184 119.002 1.182 17489 491 1 3 . 1 1 26 26 GLU HA H 27 4.212 4.212 4.127 0.085 17489 492 1 3 . 1 1 26 26 GLU C C 27 176.628 176.628 177.975 -1.347 17489 493 1 3 . 1 1 26 26 GLU CA C 27 57.339 57.339 58.504 -1.165 17489 494 1 3 . 1 1 26 26 GLU H H 27 8.016 8.016 7.838 0.178 17489 495 1 3 . 1 1 27 27 LYS N N 28 119.854 119.854 116.673 3.181 17489 496 1 3 . 1 1 27 27 LYS HA H 28 4.265 4.265 4.419 -0.154 17489 497 1 3 . 1 1 27 27 LYS C C 28 176.019 176.019 175.903 0.116 17489 498 1 3 . 1 1 27 27 LYS CA C 28 55.918 55.918 54.054 1.864 17489 499 1 3 . 1 1 27 27 LYS H H 28 8.101 8.101 7.733 0.368 17489 500 1 3 . 1 1 28 28 ARG N N 29 120.694 120.694 116.495 4.199 17489 501 1 3 . 1 1 28 28 ARG HA H 29 4.252 4.252 3.909 0.343 17489 502 1 3 . 1 1 28 28 ARG C C 29 176.036 176.036 175.958 0.078 17489 503 1 3 . 1 1 28 28 ARG CA C 29 56.321 56.321 56.889 -0.568 17489 504 1 3 . 1 1 28 28 ARG H H 29 8.170 8.170 7.661 0.509 17489 505 1 3 . 1 1 29 29 VAL N N 30 121.196 121.196 120.243 0.953 17489 506 1 3 . 1 1 29 29 VAL H H 30 7.961 7.961 7.951 0.010 17489 507 1 3 . 1 1 30 30 PRO HA H 31 4.416 4.416 4.437 -0.021 17489 508 1 3 . 1 1 30 30 PRO C C 31 177.177 177.177 177.080 0.097 17489 509 1 3 . 1 1 30 30 PRO CA C 31 62.849 62.849 63.006 -0.157 17489 510 1 3 . 1 1 31 31 SER N N 32 116.064 116.064 117.205 -1.141 17489 511 1 3 . 1 1 31 31 SER HA H 32 4.322 4.322 4.207 0.115 17489 512 1 3 . 1 1 31 31 SER C C 32 174.622 174.622 174.916 -0.294 17489 513 1 3 . 1 1 31 31 SER CA C 32 59.338 59.338 60.429 -1.091 17489 514 1 3 . 1 1 31 31 SER H H 32 8.399 8.399 8.594 -0.195 17489 515 1 3 . 1 1 32 32 ASN N N 33 119.120 119.120 118.164 0.956 17489 516 1 3 . 1 1 32 32 ASN HA H 33 4.705 4.705 4.789 -0.084 17489 517 1 3 . 1 1 32 32 ASN C C 33 175.221 175.221 174.672 0.549 17489 518 1 3 . 1 1 32 32 ASN CA C 33 52.789 52.789 52.988 -0.199 17489 519 1 3 . 1 1 32 32 ASN H H 33 8.235 8.235 8.037 0.198 17489 520 1 3 . 1 1 33 33 ALA N N 34 123.533 123.533 123.721 -0.188 17489 521 1 3 . 1 1 33 33 ALA HA H 34 4.289 4.289 4.419 -0.130 17489 522 1 3 . 1 1 33 33 ALA C C 34 178.235 178.235 177.197 1.038 17489 523 1 3 . 1 1 33 33 ALA CA C 34 52.847 52.847 52.127 0.720 17489 524 1 3 . 1 1 33 33 ALA H H 34 7.948 7.948 7.449 0.499 17489 525 1 3 . 1 1 34 34 SER N N 35 115.510 115.510 119.009 -3.499 17489 526 1 3 . 1 1 34 34 SER HA H 35 4.535 4.535 4.490 0.045 17489 527 1 3 . 1 1 34 34 SER C C 35 175.129 175.129 175.593 -0.464 17489 528 1 3 . 1 1 34 34 SER CA C 35 57.986 57.986 57.134 0.852 17489 529 1 3 . 1 1 34 34 SER H H 35 8.255 8.255 8.151 0.104 17489 530 1 3 . 1 1 35 35 TRP N N 36 123.351 123.351 123.865 -0.514 17489 531 1 3 . 1 1 35 35 TRP HA H 36 4.313 4.313 4.448 -0.135 17489 532 1 3 . 1 1 35 35 TRP C C 36 177.081 177.081 177.580 -0.499 17489 533 1 3 . 1 1 35 35 TRP CA C 36 59.360 59.360 61.318 -1.958 17489 534 1 3 . 1 1 35 35 TRP H H 36 8.083 8.083 9.123 -1.040 17489 535 1 3 . 1 1 36 36 GLU N N 37 119.014 119.014 117.527 1.487 17489 536 1 3 . 1 1 36 36 GLU HA H 37 3.700 3.700 3.816 -0.116 17489 537 1 3 . 1 1 36 36 GLU C C 37 178.317 178.317 178.755 -0.438 17489 538 1 3 . 1 1 36 36 GLU CA C 37 59.332 59.332 59.897 -0.565 17489 539 1 3 . 1 1 36 36 GLU H H 37 8.070 8.070 8.697 -0.627 17489 540 1 3 . 1 1 37 37 GLN N N 38 118.887 118.887 119.695 -0.808 17489 541 1 3 . 1 1 37 37 GLN HA H 38 4.101 4.101 4.057 0.044 17489 542 1 3 . 1 1 37 37 GLN C C 38 177.593 177.593 178.131 -0.538 17489 543 1 3 . 1 1 37 37 GLN H H 38 7.822 7.822 7.872 -0.050 17489 544 1 3 . 1 1 38 38 ALA N N 39 122.732 122.732 121.874 0.858 17489 545 1 3 . 1 1 38 38 ALA HA H 39 4.056 4.056 3.974 0.082 17489 546 1 3 . 1 1 38 38 ALA C C 39 179.122 179.122 179.761 -0.639 17489 547 1 3 . 1 1 38 38 ALA CA C 39 54.470 54.470 54.762 -0.292 17489 548 1 3 . 1 1 38 38 ALA H H 39 8.118 8.118 8.265 -0.147 17489 549 1 3 . 1 1 39 39 MET N N 40 116.548 116.548 117.974 -1.426 17489 550 1 3 . 1 1 39 39 MET HA H 40 4.116 4.116 4.298 -0.182 17489 551 1 3 . 1 1 39 39 MET C C 40 177.425 177.425 178.065 -0.640 17489 552 1 3 . 1 1 39 39 MET CA C 40 56.856 56.856 57.470 -0.614 17489 553 1 3 . 1 1 39 39 MET H H 40 8.003 8.003 7.883 0.120 17489 554 1 3 . 1 1 40 40 LYS N N 41 119.136 119.136 119.355 -0.219 17489 555 1 3 . 1 1 40 40 LYS HA H 41 4.035 4.035 3.926 0.109 17489 556 1 3 . 1 1 40 40 LYS C C 41 177.546 177.546 179.102 -1.556 17489 557 1 3 . 1 1 40 40 LYS CA C 41 58.454 58.454 59.756 -1.302 17489 558 1 3 . 1 1 41 41 MET N N 42 117.901 117.901 116.634 1.267 17489 559 1 3 . 1 1 41 41 MET HA H 42 4.309 4.309 4.200 0.109 17489 560 1 3 . 1 1 41 41 MET C C 42 177.178 177.178 177.799 -0.621 17489 561 1 3 . 1 1 41 41 MET CA C 42 57.094 57.094 57.786 -0.692 17489 562 1 3 . 1 1 41 41 MET H H 42 7.732 7.732 7.914 -0.182 17489 563 1 3 . 1 1 42 42 ILE N N 43 119.588 119.588 117.741 1.847 17489 564 1 3 . 1 1 42 42 ILE HA H 43 4.054 4.054 4.019 0.035 17489 565 1 3 . 1 1 42 42 ILE C C 43 176.560 176.560 178.543 -1.983 17489 566 1 3 . 1 1 42 42 ILE H H 43 7.766 7.766 7.532 0.234 17489 567 1 3 . 1 1 43 43 ILE N N 44 120.275 120.275 121.941 -1.666 17489 568 1 3 . 1 1 43 43 ILE C C 44 176.056 176.056 177.333 -1.277 17489 569 1 3 . 1 1 43 43 ILE H H 44 7.899 7.899 8.473 -0.574 17489 570 1 3 . 1 1 44 44 ASN N N 45 119.135 119.135 116.171 2.964 17489 571 1 3 . 1 1 44 44 ASN HA H 45 4.711 4.711 4.573 0.138 17489 572 1 3 . 1 1 44 44 ASN CA C 45 53.323 53.323 54.778 -1.455 17489 573 1 3 . 1 1 44 44 ASN H H 45 7.900 7.900 7.818 0.082 17489 574 1 3 . 1 1 45 45 ASP N N 46 122.730 122.730 120.295 2.435 17489 575 1 3 . 1 1 45 45 ASP HA H 46 4.997 4.997 5.062 -0.065 17489 576 1 3 . 1 1 45 45 ASP CA C 46 51.864 51.864 50.816 1.048 17489 577 1 3 . 1 1 45 45 ASP H H 46 7.854 7.854 7.664 0.190 17489 578 1 3 . 1 1 46 46 PRO HA H 47 4.420 4.420 4.165 0.255 17489 579 1 3 . 1 1 46 46 PRO C C 47 178.053 178.053 178.448 -0.395 17489 580 1 3 . 1 1 46 46 PRO CA C 47 64.209 64.209 64.686 -0.477 17489 581 1 3 . 1 1 47 47 ARG N N 48 118.377 118.377 118.994 -0.617 17489 582 1 3 . 1 1 47 47 ARG HA H 48 4.061 4.061 3.905 0.156 17489 583 1 3 . 1 1 47 47 ARG C C 48 177.487 177.487 176.972 0.515 17489 584 1 3 . 1 1 47 47 ARG CA C 48 57.229 57.229 58.421 -1.192 17489 585 1 3 . 1 1 47 47 ARG H H 48 8.341 8.341 8.198 0.143 17489 586 1 3 . 1 1 48 48 TYR N N 49 117.876 117.876 116.941 0.935 17489 587 1 3 . 1 1 48 48 TYR HA H 49 4.604 4.604 4.676 -0.072 17489 588 1 3 . 1 1 48 48 TYR C C 49 176.515 176.515 175.296 1.219 17489 589 1 3 . 1 1 48 48 TYR CA C 49 58.172 58.172 55.734 2.438 17489 590 1 3 . 1 1 48 48 TYR H H 49 7.706 7.706 7.805 -0.099 17489 591 1 3 . 1 1 49 49 SER N N 50 115.731 115.731 117.439 -1.708 17489 592 1 3 . 1 1 49 49 SER HA H 50 4.275 4.275 3.992 0.283 17489 593 1 3 . 1 1 49 49 SER C C 50 175.374 175.374 175.888 -0.514 17489 594 1 3 . 1 1 49 49 SER CA C 50 60.656 60.656 61.440 -0.784 17489 595 1 3 . 1 1 49 49 SER H H 50 7.865 7.865 7.911 -0.046 17489 596 1 3 . 1 1 50 50 ALA N N 51 124.648 124.648 123.370 1.278 17489 597 1 3 . 1 1 50 50 ALA HA H 51 4.240 4.240 3.922 0.318 17489 598 1 3 . 1 1 50 50 ALA C C 51 178.939 178.939 178.431 0.508 17489 599 1 3 . 1 1 50 50 ALA CA C 51 53.898 53.898 53.972 -0.074 17489 600 1 3 . 1 1 50 50 ALA H H 51 8.236 8.236 7.983 0.253 17489 601 1 3 . 1 1 51 51 LEU N N 52 118.847 118.847 117.787 1.060 17489 602 1 3 . 1 1 51 51 LEU C C 52 178.032 178.032 179.329 -1.297 17489 603 1 3 . 1 1 51 51 LEU H H 52 7.863 7.863 7.511 0.352 17489 604 1 3 . 1 1 52 52 ALA N N 53 122.637 122.637 123.004 -0.367 17489 605 1 3 . 1 1 52 52 ALA HA H 53 4.187 4.187 4.071 0.116 17489 606 1 3 . 1 1 52 52 ALA C C 53 178.553 178.553 179.309 -0.756 17489 607 1 3 . 1 1 52 52 ALA CA C 53 53.690 53.690 54.754 -1.064 17489 608 1 3 . 1 1 52 52 ALA H H 53 7.812 7.812 8.229 -0.417 17489 609 1 3 . 1 1 53 53 LYS N N 54 118.359 118.359 118.541 -0.182 17489 610 1 3 . 1 1 53 53 LYS HA H 54 4.230 4.230 4.051 0.179 17489 611 1 3 . 1 1 53 53 LYS C C 54 177.462 177.462 178.132 -0.670 17489 612 1 3 . 1 1 53 53 LYS CA C 54 56.909 56.909 58.657 -1.748 17489 613 1 3 . 1 1 53 53 LYS H H 54 7.829 7.829 7.575 0.254 17489 614 1 3 . 1 1 54 54 LEU N N 55 121.619 121.619 119.264 2.355 17489 615 1 3 . 1 1 54 54 LEU C C 55 177.949 177.949 178.384 -0.435 17489 616 1 3 . 1 1 54 54 LEU H H 55 7.740 7.740 7.862 -0.122 17489 617 1 3 . 1 1 55 55 SER N N 56 115.311 115.311 114.786 0.525 17489 618 1 3 . 1 1 55 55 SER HA H 56 4.233 4.233 4.281 -0.048 17489 619 1 3 . 1 1 55 55 SER CA C 56 59.078 59.078 60.927 -1.849 17489 620 1 3 . 1 1 55 55 SER H H 56 7.965 7.965 7.951 0.014 17489 621 1 3 . 1 1 56 56 GLU N N 57 122.414 122.414 120.356 2.058 17489 622 1 3 . 1 1 56 56 GLU CA C 57 56.682 56.682 57.475 -0.793 17489 623 1 3 . 1 1 56 56 GLU H H 57 8.059 8.059 7.776 0.283 17489 624 1 3 . 1 1 57 57 LYS N N 58 121.832 121.832 118.350 3.482 17489 625 1 3 . 1 1 57 57 LYS C C 58 176.820 176.820 176.846 -0.026 17489 626 1 3 . 1 1 57 57 LYS CA C 58 56.768 56.768 58.159 -1.391 17489 627 1 3 . 1 1 57 57 LYS H H 58 8.097 8.097 7.765 0.332 17489 628 1 4 . 1 1 11 11 ASN N N 12 119.980 119.980 118.243 1.737 17489 629 1 4 . 1 1 11 11 ASN HA H 12 4.692 4.692 4.725 -0.033 17489 630 1 4 . 1 1 11 11 ASN CA C 12 53.862 53.862 55.527 -1.665 17489 631 1 4 . 1 1 11 11 ASN H H 12 8.406 8.406 8.993 -0.587 17489 632 1 4 . 1 1 12 12 THR N N 13 112.320 112.320 110.146 2.174 17489 633 1 4 . 1 1 12 12 THR HA H 13 4.435 4.435 4.812 -0.377 17489 634 1 4 . 1 1 12 12 THR C C 13 174.968 174.968 174.939 0.029 17489 635 1 4 . 1 1 12 12 THR CA C 13 61.114 61.114 59.749 1.365 17489 636 1 4 . 1 1 12 12 THR H H 13 7.868 7.868 7.631 0.237 17489 637 1 4 . 1 1 13 13 LYS N N 14 122.764 122.764 120.984 1.780 17489 638 1 4 . 1 1 13 13 LYS HA H 14 4.220 4.220 3.930 0.290 17489 639 1 4 . 1 1 13 13 LYS C C 14 177.768 177.768 178.786 -1.018 17489 640 1 4 . 1 1 13 13 LYS CA C 14 58.108 58.108 60.613 -2.505 17489 641 1 4 . 1 1 13 13 LYS H H 14 9.495 9.495 8.728 0.767 17489 642 1 4 . 1 1 14 14 GLU N N 15 120.850 120.850 119.293 1.557 17489 643 1 4 . 1 1 14 14 GLU HA H 15 4.122 4.122 4.040 0.082 17489 644 1 4 . 1 1 14 14 GLU C C 15 177.989 177.989 178.892 -0.903 17489 645 1 4 . 1 1 14 14 GLU CA C 15 58.487 58.487 59.657 -1.169 17489 646 1 4 . 1 1 14 14 GLU H H 15 8.304 8.304 8.633 -0.329 17489 647 1 4 . 1 1 15 15 GLU N N 16 121.042 121.042 119.989 1.053 17489 648 1 4 . 1 1 15 15 GLU HA H 16 4.195 4.195 4.282 -0.087 17489 649 1 4 . 1 1 15 15 GLU C C 16 177.809 177.809 178.888 -1.079 17489 650 1 4 . 1 1 15 15 GLU CA C 16 58.063 58.063 59.084 -1.021 17489 651 1 4 . 1 1 15 15 GLU H H 16 8.165 8.165 7.847 0.318 17489 652 1 4 . 1 1 16 16 ALA N N 17 123.692 123.692 122.245 1.447 17489 653 1 4 . 1 1 16 16 ALA HA H 17 3.857 3.857 3.592 0.265 17489 654 1 4 . 1 1 16 16 ALA C C 17 178.494 178.494 179.026 -0.532 17489 655 1 4 . 1 1 16 16 ALA CA C 17 54.016 54.016 54.935 -0.919 17489 656 1 4 . 1 1 16 16 ALA H H 17 7.929 7.929 8.191 -0.262 17489 657 1 4 . 1 1 17 17 LYS N N 18 119.118 119.118 118.114 1.004 17489 658 1 4 . 1 1 17 17 LYS HA H 18 4.063 4.063 4.017 0.046 17489 659 1 4 . 1 1 17 17 LYS C C 18 178.031 178.031 179.219 -1.188 17489 660 1 4 . 1 1 17 17 LYS CA C 18 58.710 58.710 59.796 -1.086 17489 661 1 4 . 1 1 17 17 LYS H H 18 7.962 7.962 7.836 0.126 17489 662 1 4 . 1 1 18 18 GLN N N 19 119.841 119.841 119.016 0.825 17489 663 1 4 . 1 1 18 18 GLN C C 19 176.953 176.953 178.384 -1.431 17489 664 1 4 . 1 1 18 18 GLN CA C 19 57.371 57.371 58.840 -1.468 17489 665 1 4 . 1 1 18 18 GLN H H 19 7.999 7.999 7.915 0.084 17489 666 1 4 . 1 1 19 19 ALA N N 20 123.397 123.397 122.726 0.671 17489 667 1 4 . 1 1 19 19 ALA HA H 20 4.185 4.185 4.236 -0.051 17489 668 1 4 . 1 1 19 19 ALA C C 20 178.456 178.456 179.447 -0.991 17489 669 1 4 . 1 1 19 19 ALA CA C 20 54.148 54.148 54.619 -0.471 17489 670 1 4 . 1 1 19 19 ALA H H 20 8.007 8.007 7.755 0.252 17489 671 1 4 . 1 1 20 20 PHE N N 21 119.266 119.266 117.614 1.652 17489 672 1 4 . 1 1 20 20 PHE HA H 21 4.327 4.327 3.963 0.364 17489 673 1 4 . 1 1 20 20 PHE C C 21 176.183 176.183 178.244 -2.061 17489 674 1 4 . 1 1 20 20 PHE CA C 21 59.670 59.670 59.680 -0.010 17489 675 1 4 . 1 1 20 20 PHE H H 21 8.049 8.049 7.774 0.275 17489 676 1 4 . 1 1 21 21 LYS N N 22 120.665 120.665 119.434 1.231 17489 677 1 4 . 1 1 21 21 LYS HA H 22 3.990 3.990 3.978 0.012 17489 678 1 4 . 1 1 21 21 LYS C C 22 178.052 178.052 179.058 -1.006 17489 679 1 4 . 1 1 21 21 LYS CA C 22 58.903 58.903 60.030 -1.127 17489 680 1 4 . 1 1 21 21 LYS H H 22 7.912 7.912 8.404 -0.492 17489 681 1 4 . 1 1 22 22 GLU N N 23 120.435 120.435 119.334 1.101 17489 682 1 4 . 1 1 22 22 GLU HA H 23 4.132 4.132 3.970 0.162 17489 683 1 4 . 1 1 22 22 GLU C C 23 177.367 177.367 178.840 -1.473 17489 684 1 4 . 1 1 22 22 GLU CA C 23 58.106 58.106 59.565 -1.459 17489 685 1 4 . 1 1 22 22 GLU H H 23 8.073 8.073 8.055 0.018 17489 686 1 4 . 1 1 23 23 ALA N N 24 123.786 123.786 122.346 1.440 17489 687 1 4 . 1 1 23 23 ALA HA H 24 4.099 4.099 3.808 0.291 17489 688 1 4 . 1 1 23 23 ALA C C 24 178.713 178.713 179.426 -0.713 17489 689 1 4 . 1 1 23 23 ALA CA C 24 54.248 54.248 54.608 -0.359 17489 690 1 4 . 1 1 23 23 ALA H H 24 8.057 8.057 7.803 0.254 17489 691 1 4 . 1 1 24 24 LEU N N 25 119.319 119.319 119.153 0.166 17489 692 1 4 . 1 1 24 24 LEU C C 25 178.595 178.595 178.970 -0.375 17489 693 1 4 . 1 1 24 24 LEU H H 25 7.892 7.892 8.261 -0.369 17489 694 1 4 . 1 1 25 25 LYS N N 26 120.783 120.783 119.227 1.556 17489 695 1 4 . 1 1 25 25 LYS HA H 26 4.374 4.374 3.987 0.387 17489 696 1 4 . 1 1 25 25 LYS C C 26 177.655 177.655 179.589 -1.934 17489 697 1 4 . 1 1 25 25 LYS CA C 26 58.024 58.024 59.992 -1.968 17489 698 1 4 . 1 1 25 25 LYS H H 26 7.803 7.803 8.048 -0.245 17489 699 1 4 . 1 1 26 26 GLU N N 27 120.184 120.184 119.919 0.265 17489 700 1 4 . 1 1 26 26 GLU HA H 27 4.212 4.212 4.177 0.035 17489 701 1 4 . 1 1 26 26 GLU C C 27 176.628 176.628 178.117 -1.489 17489 702 1 4 . 1 1 26 26 GLU CA C 27 57.339 57.339 58.695 -1.356 17489 703 1 4 . 1 1 26 26 GLU H H 27 8.016 8.016 7.847 0.169 17489 704 1 4 . 1 1 27 27 LYS N N 28 119.854 119.854 116.554 3.300 17489 705 1 4 . 1 1 27 27 LYS HA H 28 4.265 4.265 4.459 -0.194 17489 706 1 4 . 1 1 27 27 LYS C C 28 176.019 176.019 175.729 0.290 17489 707 1 4 . 1 1 27 27 LYS CA C 28 55.918 55.918 54.373 1.545 17489 708 1 4 . 1 1 27 27 LYS H H 28 8.101 8.101 7.794 0.307 17489 709 1 4 . 1 1 28 28 ARG N N 29 120.694 120.694 117.600 3.094 17489 710 1 4 . 1 1 28 28 ARG HA H 29 4.252 4.252 3.916 0.337 17489 711 1 4 . 1 1 28 28 ARG C C 29 176.036 176.036 175.810 0.226 17489 712 1 4 . 1 1 28 28 ARG CA C 29 56.321 56.321 56.655 -0.334 17489 713 1 4 . 1 1 28 28 ARG H H 29 8.170 8.170 7.626 0.544 17489 714 1 4 . 1 1 29 29 VAL N N 30 121.196 121.196 120.843 0.353 17489 715 1 4 . 1 1 29 29 VAL H H 30 7.961 7.961 7.928 0.033 17489 716 1 4 . 1 1 30 30 PRO HA H 31 4.416 4.416 4.499 -0.083 17489 717 1 4 . 1 1 30 30 PRO C C 31 177.177 177.177 177.000 0.177 17489 718 1 4 . 1 1 30 30 PRO CA C 31 62.849 62.849 63.009 -0.160 17489 719 1 4 . 1 1 31 31 SER N N 32 116.064 116.064 117.436 -1.372 17489 720 1 4 . 1 1 31 31 SER HA H 32 4.322 4.322 4.207 0.115 17489 721 1 4 . 1 1 31 31 SER C C 32 174.622 174.622 175.022 -0.400 17489 722 1 4 . 1 1 31 31 SER CA C 32 59.338 59.338 60.508 -1.170 17489 723 1 4 . 1 1 31 31 SER H H 32 8.399 8.399 8.612 -0.213 17489 724 1 4 . 1 1 32 32 ASN N N 33 119.120 119.120 117.925 1.195 17489 725 1 4 . 1 1 32 32 ASN HA H 33 4.705 4.705 4.739 -0.034 17489 726 1 4 . 1 1 32 32 ASN C C 33 175.221 175.221 174.913 0.308 17489 727 1 4 . 1 1 32 32 ASN CA C 33 52.789 52.789 53.236 -0.447 17489 728 1 4 . 1 1 32 32 ASN H H 33 8.235 8.235 8.095 0.140 17489 729 1 4 . 1 1 33 33 ALA N N 34 123.533 123.533 123.131 0.402 17489 730 1 4 . 1 1 33 33 ALA HA H 34 4.289 4.289 4.493 -0.204 17489 731 1 4 . 1 1 33 33 ALA C C 34 178.235 178.235 177.214 1.021 17489 732 1 4 . 1 1 33 33 ALA CA C 34 52.847 52.847 51.721 1.125 17489 733 1 4 . 1 1 33 33 ALA H H 34 7.948 7.948 7.401 0.547 17489 734 1 4 . 1 1 34 34 SER N N 35 115.510 115.510 118.780 -3.270 17489 735 1 4 . 1 1 34 34 SER HA H 35 4.535 4.535 4.614 -0.079 17489 736 1 4 . 1 1 34 34 SER C C 35 175.129 175.129 175.515 -0.386 17489 737 1 4 . 1 1 34 34 SER CA C 35 57.986 57.986 56.911 1.075 17489 738 1 4 . 1 1 34 34 SER H H 35 8.255 8.255 8.288 -0.033 17489 739 1 4 . 1 1 35 35 TRP N N 36 123.351 123.351 124.594 -1.243 17489 740 1 4 . 1 1 35 35 TRP HA H 36 4.313 4.313 4.310 0.003 17489 741 1 4 . 1 1 35 35 TRP C C 36 177.081 177.081 177.500 -0.419 17489 742 1 4 . 1 1 35 35 TRP CA C 36 59.360 59.360 61.180 -1.820 17489 743 1 4 . 1 1 35 35 TRP H H 36 8.083 8.083 9.092 -1.009 17489 744 1 4 . 1 1 36 36 GLU N N 37 119.014 119.014 118.446 0.568 17489 745 1 4 . 1 1 36 36 GLU HA H 37 3.700 3.700 3.763 -0.063 17489 746 1 4 . 1 1 36 36 GLU C C 37 178.317 178.317 178.538 -0.221 17489 747 1 4 . 1 1 36 36 GLU CA C 37 59.332 59.332 60.057 -0.725 17489 748 1 4 . 1 1 36 36 GLU H H 37 8.070 8.070 8.721 -0.651 17489 749 1 4 . 1 1 37 37 GLN N N 38 118.887 118.887 118.556 0.331 17489 750 1 4 . 1 1 37 37 GLN HA H 38 4.101 4.101 3.976 0.125 17489 751 1 4 . 1 1 37 37 GLN C C 38 177.593 177.593 178.427 -0.834 17489 752 1 4 . 1 1 37 37 GLN H H 38 7.822 7.822 7.545 0.277 17489 753 1 4 . 1 1 38 38 ALA N N 39 122.732 122.732 122.521 0.211 17489 754 1 4 . 1 1 38 38 ALA HA H 39 4.056 4.056 3.900 0.156 17489 755 1 4 . 1 1 38 38 ALA C C 39 179.122 179.122 178.995 0.127 17489 756 1 4 . 1 1 38 38 ALA CA C 39 54.470 54.470 54.688 -0.217 17489 757 1 4 . 1 1 38 38 ALA H H 39 8.118 8.118 8.121 -0.003 17489 758 1 4 . 1 1 39 39 MET N N 40 116.548 116.548 115.800 0.748 17489 759 1 4 . 1 1 39 39 MET HA H 40 4.116 4.116 3.782 0.334 17489 760 1 4 . 1 1 39 39 MET C C 40 177.425 177.425 178.309 -0.884 17489 761 1 4 . 1 1 39 39 MET CA C 40 56.856 56.856 56.482 0.374 17489 762 1 4 . 1 1 39 39 MET H H 40 8.003 8.003 7.532 0.471 17489 763 1 4 . 1 1 40 40 LYS N N 41 119.136 119.136 119.600 -0.464 17489 764 1 4 . 1 1 40 40 LYS HA H 41 4.035 4.035 3.922 0.113 17489 765 1 4 . 1 1 40 40 LYS C C 41 177.546 177.546 179.266 -1.720 17489 766 1 4 . 1 1 40 40 LYS CA C 41 58.454 58.454 59.600 -1.146 17489 767 1 4 . 1 1 41 41 MET N N 42 117.901 117.901 115.424 2.477 17489 768 1 4 . 1 1 41 41 MET HA H 42 4.309 4.309 4.168 0.141 17489 769 1 4 . 1 1 41 41 MET C C 42 177.178 177.178 177.333 -0.155 17489 770 1 4 . 1 1 41 41 MET CA C 42 57.094 57.094 58.220 -1.126 17489 771 1 4 . 1 1 41 41 MET H H 42 7.732 7.732 7.616 0.116 17489 772 1 4 . 1 1 42 42 ILE N N 43 119.588 119.588 112.983 6.605 17489 773 1 4 . 1 1 42 42 ILE HA H 43 4.054 4.054 4.241 -0.187 17489 774 1 4 . 1 1 42 42 ILE C C 43 176.560 176.560 176.930 -0.370 17489 775 1 4 . 1 1 42 42 ILE H H 43 7.766 7.766 7.354 0.412 17489 776 1 4 . 1 1 43 43 ILE N N 44 120.275 120.275 120.759 -0.484 17489 777 1 4 . 1 1 43 43 ILE C C 44 176.056 176.056 177.051 -0.995 17489 778 1 4 . 1 1 43 43 ILE H H 44 7.899 7.899 8.029 -0.130 17489 779 1 4 . 1 1 44 44 ASN N N 45 119.135 119.135 117.377 1.758 17489 780 1 4 . 1 1 44 44 ASN HA H 45 4.711 4.711 4.573 0.138 17489 781 1 4 . 1 1 44 44 ASN CA C 45 53.323 53.323 54.823 -1.500 17489 782 1 4 . 1 1 44 44 ASN H H 45 7.900 7.900 7.773 0.127 17489 783 1 4 . 1 1 45 45 ASP N N 46 122.730 122.730 120.478 2.252 17489 784 1 4 . 1 1 45 45 ASP HA H 46 4.997 4.997 5.041 -0.044 17489 785 1 4 . 1 1 45 45 ASP CA C 46 51.864 51.864 50.955 0.909 17489 786 1 4 . 1 1 45 45 ASP H H 46 7.854 7.854 7.845 0.009 17489 787 1 4 . 1 1 46 46 PRO HA H 47 4.420 4.420 4.246 0.174 17489 788 1 4 . 1 1 46 46 PRO C C 47 178.053 178.053 178.659 -0.606 17489 789 1 4 . 1 1 46 46 PRO CA C 47 64.209 64.209 64.805 -0.596 17489 790 1 4 . 1 1 47 47 ARG N N 48 118.377 118.377 117.509 0.868 17489 791 1 4 . 1 1 47 47 ARG HA H 48 4.061 4.061 3.974 0.087 17489 792 1 4 . 1 1 47 47 ARG C C 48 177.487 177.487 177.219 0.268 17489 793 1 4 . 1 1 47 47 ARG CA C 48 57.229 57.229 58.578 -1.349 17489 794 1 4 . 1 1 47 47 ARG H H 48 8.341 8.341 8.252 0.089 17489 795 1 4 . 1 1 48 48 TYR N N 49 117.876 117.876 116.914 0.962 17489 796 1 4 . 1 1 48 48 TYR HA H 49 4.604 4.604 4.839 -0.235 17489 797 1 4 . 1 1 48 48 TYR C C 49 176.515 176.515 175.692 0.823 17489 798 1 4 . 1 1 48 48 TYR CA C 49 58.172 58.172 56.264 1.908 17489 799 1 4 . 1 1 48 48 TYR H H 49 7.706 7.706 8.020 -0.314 17489 800 1 4 . 1 1 49 49 SER N N 50 115.731 115.731 117.539 -1.808 17489 801 1 4 . 1 1 49 49 SER HA H 50 4.275 4.275 4.165 0.110 17489 802 1 4 . 1 1 49 49 SER C C 50 175.374 175.374 175.999 -0.625 17489 803 1 4 . 1 1 49 49 SER CA C 50 60.656 60.656 61.975 -1.319 17489 804 1 4 . 1 1 49 49 SER H H 50 7.865 7.865 7.893 -0.028 17489 805 1 4 . 1 1 50 50 ALA N N 51 124.648 124.648 124.315 0.333 17489 806 1 4 . 1 1 50 50 ALA HA H 51 4.240 4.240 4.327 -0.087 17489 807 1 4 . 1 1 50 50 ALA C C 51 178.939 178.939 179.659 -0.720 17489 808 1 4 . 1 1 50 50 ALA CA C 51 53.898 53.898 54.719 -0.821 17489 809 1 4 . 1 1 50 50 ALA H H 51 8.236 8.236 8.558 -0.322 17489 810 1 4 . 1 1 51 51 LEU N N 52 118.847 118.847 119.126 -0.279 17489 811 1 4 . 1 1 51 51 LEU C C 52 178.032 178.032 178.915 -0.883 17489 812 1 4 . 1 1 51 51 LEU H H 52 7.863 7.863 7.857 0.006 17489 813 1 4 . 1 1 52 52 ALA N N 53 122.637 122.637 122.911 -0.274 17489 814 1 4 . 1 1 52 52 ALA HA H 53 4.187 4.187 3.939 0.248 17489 815 1 4 . 1 1 52 52 ALA C C 53 178.553 178.553 179.740 -1.187 17489 816 1 4 . 1 1 52 52 ALA CA C 53 53.690 53.690 55.398 -1.708 17489 817 1 4 . 1 1 52 52 ALA H H 53 7.812 7.812 8.202 -0.390 17489 818 1 4 . 1 1 53 53 LYS N N 54 118.359 118.359 118.223 0.136 17489 819 1 4 . 1 1 53 53 LYS HA H 54 4.230 4.230 4.125 0.105 17489 820 1 4 . 1 1 53 53 LYS C C 54 177.462 177.462 178.693 -1.231 17489 821 1 4 . 1 1 53 53 LYS CA C 54 56.909 56.909 59.150 -2.241 17489 822 1 4 . 1 1 53 53 LYS H H 54 7.829 7.829 7.819 0.010 17489 823 1 4 . 1 1 54 54 LEU N N 55 121.619 121.619 121.927 -0.308 17489 824 1 4 . 1 1 54 54 LEU C C 55 177.949 177.949 178.051 -0.102 17489 825 1 4 . 1 1 54 54 LEU H H 55 7.740 7.740 7.975 -0.235 17489 826 1 4 . 1 1 55 55 SER N N 56 115.311 115.311 114.301 1.010 17489 827 1 4 . 1 1 55 55 SER HA H 56 4.233 4.233 4.514 -0.281 17489 828 1 4 . 1 1 55 55 SER CA C 56 59.078 59.078 61.356 -2.278 17489 829 1 4 . 1 1 55 55 SER H H 56 7.965 7.965 8.367 -0.402 17489 830 1 4 . 1 1 56 56 GLU N N 57 122.414 122.414 120.793 1.621 17489 831 1 4 . 1 1 56 56 GLU CA C 57 56.682 56.682 57.575 -0.893 17489 832 1 4 . 1 1 56 56 GLU H H 57 8.059 8.059 7.827 0.232 17489 833 1 4 . 1 1 57 57 LYS N N 58 121.832 121.832 118.556 3.276 17489 834 1 4 . 1 1 57 57 LYS C C 58 176.820 176.820 177.012 -0.192 17489 835 1 4 . 1 1 57 57 LYS CA C 58 56.768 56.768 58.462 -1.694 17489 836 1 4 . 1 1 57 57 LYS H H 58 8.097 8.097 7.922 0.175 17489 837 1 5 . 1 1 11 11 ASN N N 12 119.980 119.980 119.628 0.352 17489 838 1 5 . 1 1 11 11 ASN HA H 12 4.692 4.692 4.686 0.006 17489 839 1 5 . 1 1 11 11 ASN CA C 12 53.862 53.862 55.197 -1.335 17489 840 1 5 . 1 1 11 11 ASN H H 12 8.406 8.406 8.821 -0.415 17489 841 1 5 . 1 1 12 12 THR N N 13 112.320 112.320 109.333 2.987 17489 842 1 5 . 1 1 12 12 THR HA H 13 4.435 4.435 4.666 -0.231 17489 843 1 5 . 1 1 12 12 THR C C 13 174.968 174.968 174.811 0.157 17489 844 1 5 . 1 1 12 12 THR CA C 13 61.114 61.114 60.431 0.683 17489 845 1 5 . 1 1 12 12 THR H H 13 7.868 7.868 7.673 0.195 17489 846 1 5 . 1 1 13 13 LYS N N 14 122.764 122.764 120.390 2.374 17489 847 1 5 . 1 1 13 13 LYS HA H 14 4.220 4.220 4.001 0.219 17489 848 1 5 . 1 1 13 13 LYS C C 14 177.768 177.768 178.672 -0.904 17489 849 1 5 . 1 1 13 13 LYS CA C 14 58.108 58.108 60.166 -2.058 17489 850 1 5 . 1 1 13 13 LYS H H 14 9.495 9.495 8.753 0.742 17489 851 1 5 . 1 1 14 14 GLU N N 15 120.850 120.850 118.377 2.473 17489 852 1 5 . 1 1 14 14 GLU HA H 15 4.122 4.122 4.130 -0.008 17489 853 1 5 . 1 1 14 14 GLU C C 15 177.989 177.989 179.132 -1.143 17489 854 1 5 . 1 1 14 14 GLU CA C 15 58.487 58.487 59.125 -0.638 17489 855 1 5 . 1 1 14 14 GLU H H 15 8.304 8.304 8.146 0.158 17489 856 1 5 . 1 1 15 15 GLU N N 16 121.042 121.042 119.662 1.380 17489 857 1 5 . 1 1 15 15 GLU HA H 16 4.195 4.195 4.192 0.003 17489 858 1 5 . 1 1 15 15 GLU C C 16 177.809 177.809 178.911 -1.102 17489 859 1 5 . 1 1 15 15 GLU CA C 16 58.063 58.063 58.895 -0.832 17489 860 1 5 . 1 1 15 15 GLU H H 16 8.165 8.165 7.665 0.500 17489 861 1 5 . 1 1 16 16 ALA N N 17 123.692 123.692 122.345 1.347 17489 862 1 5 . 1 1 16 16 ALA HA H 17 3.857 3.857 3.617 0.240 17489 863 1 5 . 1 1 16 16 ALA C C 17 178.494 178.494 179.584 -1.090 17489 864 1 5 . 1 1 16 16 ALA CA C 17 54.016 54.016 54.928 -0.912 17489 865 1 5 . 1 1 16 16 ALA H H 17 7.929 7.929 7.919 0.010 17489 866 1 5 . 1 1 17 17 LYS N N 18 119.118 119.118 118.929 0.189 17489 867 1 5 . 1 1 17 17 LYS HA H 18 4.063 4.063 4.110 -0.047 17489 868 1 5 . 1 1 17 17 LYS C C 18 178.031 178.031 178.925 -0.894 17489 869 1 5 . 1 1 17 17 LYS CA C 18 58.710 58.710 59.662 -0.952 17489 870 1 5 . 1 1 17 17 LYS H H 18 7.962 7.962 7.903 0.059 17489 871 1 5 . 1 1 18 18 GLN N N 19 119.841 119.841 119.174 0.667 17489 872 1 5 . 1 1 18 18 GLN C C 19 176.953 176.953 178.083 -1.130 17489 873 1 5 . 1 1 18 18 GLN CA C 19 57.371 57.371 58.566 -1.195 17489 874 1 5 . 1 1 18 18 GLN H H 19 7.999 7.999 8.059 -0.060 17489 875 1 5 . 1 1 19 19 ALA N N 20 123.397 123.397 122.371 1.026 17489 876 1 5 . 1 1 19 19 ALA HA H 20 4.185 4.185 4.129 0.056 17489 877 1 5 . 1 1 19 19 ALA C C 20 178.456 178.456 179.507 -1.051 17489 878 1 5 . 1 1 19 19 ALA CA C 20 54.148 54.148 54.727 -0.579 17489 879 1 5 . 1 1 19 19 ALA H H 20 8.007 8.007 7.788 0.219 17489 880 1 5 . 1 1 20 20 PHE N N 21 119.266 119.266 117.915 1.351 17489 881 1 5 . 1 1 20 20 PHE HA H 21 4.327 4.327 4.034 0.293 17489 882 1 5 . 1 1 20 20 PHE C C 21 176.183 176.183 177.931 -1.748 17489 883 1 5 . 1 1 20 20 PHE CA C 21 59.670 59.670 61.804 -2.134 17489 884 1 5 . 1 1 20 20 PHE H H 21 8.049 8.049 7.895 0.154 17489 885 1 5 . 1 1 21 21 LYS N N 22 120.665 120.665 119.284 1.381 17489 886 1 5 . 1 1 21 21 LYS HA H 22 3.990 3.990 3.969 0.021 17489 887 1 5 . 1 1 21 21 LYS C C 22 178.052 178.052 179.153 -1.101 17489 888 1 5 . 1 1 21 21 LYS CA C 22 58.903 58.903 60.119 -1.216 17489 889 1 5 . 1 1 21 21 LYS H H 22 7.912 7.912 8.346 -0.434 17489 890 1 5 . 1 1 22 22 GLU N N 23 120.435 120.435 119.473 0.962 17489 891 1 5 . 1 1 22 22 GLU HA H 23 4.132 4.132 4.039 0.093 17489 892 1 5 . 1 1 22 22 GLU C C 23 177.367 177.367 178.968 -1.601 17489 893 1 5 . 1 1 22 22 GLU CA C 23 58.106 58.106 59.250 -1.144 17489 894 1 5 . 1 1 22 22 GLU H H 23 8.073 8.073 8.184 -0.111 17489 895 1 5 . 1 1 23 23 ALA N N 24 123.786 123.786 122.717 1.069 17489 896 1 5 . 1 1 23 23 ALA HA H 24 4.099 4.099 3.546 0.553 17489 897 1 5 . 1 1 23 23 ALA C C 24 178.713 178.713 179.497 -0.784 17489 898 1 5 . 1 1 23 23 ALA CA C 24 54.248 54.248 54.605 -0.357 17489 899 1 5 . 1 1 23 23 ALA H H 24 8.057 8.057 8.009 0.048 17489 900 1 5 . 1 1 24 24 LEU N N 25 119.319 119.319 119.184 0.135 17489 901 1 5 . 1 1 24 24 LEU C C 25 178.595 178.595 179.046 -0.451 17489 902 1 5 . 1 1 24 24 LEU H H 25 7.892 7.892 8.263 -0.371 17489 903 1 5 . 1 1 25 25 LYS N N 26 120.783 120.783 119.154 1.629 17489 904 1 5 . 1 1 25 25 LYS HA H 26 4.374 4.374 3.986 0.388 17489 905 1 5 . 1 1 25 25 LYS C C 26 177.655 177.655 179.552 -1.897 17489 906 1 5 . 1 1 25 25 LYS CA C 26 58.024 58.024 60.079 -2.055 17489 907 1 5 . 1 1 25 25 LYS H H 26 7.803 7.803 7.978 -0.175 17489 908 1 5 . 1 1 26 26 GLU N N 27 120.184 120.184 120.251 -0.067 17489 909 1 5 . 1 1 26 26 GLU HA H 27 4.212 4.212 4.173 0.039 17489 910 1 5 . 1 1 26 26 GLU C C 27 176.628 176.628 177.874 -1.246 17489 911 1 5 . 1 1 26 26 GLU CA C 27 57.339 57.339 58.743 -1.404 17489 912 1 5 . 1 1 26 26 GLU H H 27 8.016 8.016 8.049 -0.033 17489 913 1 5 . 1 1 27 27 LYS N N 28 119.854 119.854 116.571 3.283 17489 914 1 5 . 1 1 27 27 LYS HA H 28 4.265 4.265 4.457 -0.192 17489 915 1 5 . 1 1 27 27 LYS C C 28 176.019 176.019 175.876 0.143 17489 916 1 5 . 1 1 27 27 LYS CA C 28 55.918 55.918 54.226 1.692 17489 917 1 5 . 1 1 27 27 LYS H H 28 8.101 8.101 7.692 0.409 17489 918 1 5 . 1 1 28 28 ARG N N 29 120.694 120.694 117.911 2.783 17489 919 1 5 . 1 1 28 28 ARG HA H 29 4.252 4.252 3.954 0.298 17489 920 1 5 . 1 1 28 28 ARG C C 29 176.036 176.036 175.969 0.067 17489 921 1 5 . 1 1 28 28 ARG CA C 29 56.321 56.321 56.889 -0.568 17489 922 1 5 . 1 1 28 28 ARG H H 29 8.170 8.170 7.675 0.495 17489 923 1 5 . 1 1 29 29 VAL N N 30 121.196 121.196 120.619 0.577 17489 924 1 5 . 1 1 29 29 VAL H H 30 7.961 7.961 7.929 0.032 17489 925 1 5 . 1 1 30 30 PRO HA H 31 4.416 4.416 4.453 -0.037 17489 926 1 5 . 1 1 30 30 PRO C C 31 177.177 177.177 177.561 -0.384 17489 927 1 5 . 1 1 30 30 PRO CA C 31 62.849 62.849 63.047 -0.198 17489 928 1 5 . 1 1 31 31 SER N N 32 116.064 116.064 117.366 -1.302 17489 929 1 5 . 1 1 31 31 SER HA H 32 4.322 4.322 4.214 0.108 17489 930 1 5 . 1 1 31 31 SER C C 32 174.622 174.622 174.703 -0.081 17489 931 1 5 . 1 1 31 31 SER CA C 32 59.338 59.338 60.830 -1.492 17489 932 1 5 . 1 1 31 31 SER H H 32 8.399 8.399 8.707 -0.308 17489 933 1 5 . 1 1 32 32 ASN N N 33 119.120 119.120 118.830 0.290 17489 934 1 5 . 1 1 32 32 ASN HA H 33 4.705 4.705 4.790 -0.085 17489 935 1 5 . 1 1 32 32 ASN C C 33 175.221 175.221 174.593 0.628 17489 936 1 5 . 1 1 32 32 ASN CA C 33 52.789 52.789 53.012 -0.223 17489 937 1 5 . 1 1 32 32 ASN H H 33 8.235 8.235 8.040 0.195 17489 938 1 5 . 1 1 33 33 ALA N N 34 123.533 123.533 123.527 0.006 17489 939 1 5 . 1 1 33 33 ALA HA H 34 4.289 4.289 4.469 -0.180 17489 940 1 5 . 1 1 33 33 ALA C C 34 178.235 178.235 177.094 1.141 17489 941 1 5 . 1 1 33 33 ALA CA C 34 52.847 52.847 51.886 0.961 17489 942 1 5 . 1 1 33 33 ALA H H 34 7.948 7.948 7.419 0.529 17489 943 1 5 . 1 1 34 34 SER N N 35 115.510 115.510 118.731 -3.221 17489 944 1 5 . 1 1 34 34 SER HA H 35 4.535 4.535 4.502 0.033 17489 945 1 5 . 1 1 34 34 SER C C 35 175.129 175.129 175.511 -0.382 17489 946 1 5 . 1 1 34 34 SER CA C 35 57.986 57.986 56.908 1.078 17489 947 1 5 . 1 1 34 34 SER H H 35 8.255 8.255 8.232 0.023 17489 948 1 5 . 1 1 35 35 TRP N N 36 123.351 123.351 124.156 -0.805 17489 949 1 5 . 1 1 35 35 TRP HA H 36 4.313 4.313 4.328 -0.015 17489 950 1 5 . 1 1 35 35 TRP C C 36 177.081 177.081 177.491 -0.410 17489 951 1 5 . 1 1 35 35 TRP CA C 36 59.360 59.360 60.481 -1.121 17489 952 1 5 . 1 1 35 35 TRP H H 36 8.083 8.083 9.040 -0.957 17489 953 1 5 . 1 1 36 36 GLU N N 37 119.014 119.014 119.077 -0.063 17489 954 1 5 . 1 1 36 36 GLU HA H 37 3.700 3.700 3.557 0.143 17489 955 1 5 . 1 1 36 36 GLU C C 37 178.317 178.317 178.176 0.141 17489 956 1 5 . 1 1 36 36 GLU CA C 37 59.332 59.332 59.629 -0.297 17489 957 1 5 . 1 1 36 36 GLU H H 37 8.070 8.070 8.496 -0.426 17489 958 1 5 . 1 1 37 37 GLN N N 38 118.887 118.887 119.261 -0.374 17489 959 1 5 . 1 1 37 37 GLN HA H 38 4.101 4.101 3.990 0.111 17489 960 1 5 . 1 1 37 37 GLN C C 38 177.593 177.593 178.150 -0.557 17489 961 1 5 . 1 1 37 37 GLN H H 38 7.822 7.822 7.688 0.134 17489 962 1 5 . 1 1 38 38 ALA N N 39 122.732 122.732 122.108 0.624 17489 963 1 5 . 1 1 38 38 ALA HA H 39 4.056 4.056 3.952 0.104 17489 964 1 5 . 1 1 38 38 ALA C C 39 179.122 179.122 179.819 -0.697 17489 965 1 5 . 1 1 38 38 ALA CA C 39 54.470 54.470 54.949 -0.479 17489 966 1 5 . 1 1 38 38 ALA H H 39 8.118 8.118 8.035 0.083 17489 967 1 5 . 1 1 39 39 MET N N 40 116.548 116.548 116.748 -0.200 17489 968 1 5 . 1 1 39 39 MET HA H 40 4.116 4.116 3.811 0.305 17489 969 1 5 . 1 1 39 39 MET C C 40 177.425 177.425 178.455 -1.030 17489 970 1 5 . 1 1 39 39 MET CA C 40 56.856 56.856 58.721 -1.865 17489 971 1 5 . 1 1 39 39 MET H H 40 8.003 8.003 7.599 0.404 17489 972 1 5 . 1 1 40 40 LYS N N 41 119.136 119.136 119.237 -0.101 17489 973 1 5 . 1 1 40 40 LYS HA H 41 4.035 4.035 3.917 0.118 17489 974 1 5 . 1 1 40 40 LYS C C 41 177.546 177.546 179.305 -1.759 17489 975 1 5 . 1 1 40 40 LYS CA C 41 58.454 58.454 59.663 -1.209 17489 976 1 5 . 1 1 41 41 MET N N 42 117.901 117.901 116.229 1.672 17489 977 1 5 . 1 1 41 41 MET HA H 42 4.309 4.309 4.233 0.076 17489 978 1 5 . 1 1 41 41 MET C C 42 177.178 177.178 178.113 -0.935 17489 979 1 5 . 1 1 41 41 MET CA C 42 57.094 57.094 57.820 -0.726 17489 980 1 5 . 1 1 41 41 MET H H 42 7.732 7.732 8.034 -0.302 17489 981 1 5 . 1 1 42 42 ILE N N 43 119.588 119.588 112.990 6.598 17489 982 1 5 . 1 1 42 42 ILE HA H 43 4.054 4.054 4.340 -0.286 17489 983 1 5 . 1 1 42 42 ILE C C 43 176.560 176.560 177.170 -0.610 17489 984 1 5 . 1 1 42 42 ILE H H 43 7.766 7.766 7.471 0.295 17489 985 1 5 . 1 1 43 43 ILE N N 44 120.275 120.275 120.345 -0.070 17489 986 1 5 . 1 1 43 43 ILE C C 44 176.056 176.056 176.931 -0.875 17489 987 1 5 . 1 1 43 43 ILE H H 44 7.899 7.899 8.081 -0.182 17489 988 1 5 . 1 1 44 44 ASN N N 45 119.135 119.135 117.024 2.111 17489 989 1 5 . 1 1 44 44 ASN HA H 45 4.711 4.711 4.608 0.103 17489 990 1 5 . 1 1 44 44 ASN CA C 45 53.323 53.323 54.671 -1.348 17489 991 1 5 . 1 1 44 44 ASN H H 45 7.900 7.900 7.586 0.314 17489 992 1 5 . 1 1 45 45 ASP N N 46 122.730 122.730 120.193 2.537 17489 993 1 5 . 1 1 45 45 ASP HA H 46 4.997 4.997 5.042 -0.045 17489 994 1 5 . 1 1 45 45 ASP CA C 46 51.864 51.864 50.758 1.106 17489 995 1 5 . 1 1 45 45 ASP H H 46 7.854 7.854 7.794 0.060 17489 996 1 5 . 1 1 46 46 PRO HA H 47 4.420 4.420 4.321 0.099 17489 997 1 5 . 1 1 46 46 PRO C C 47 178.053 178.053 178.639 -0.586 17489 998 1 5 . 1 1 46 46 PRO CA C 47 64.209 64.209 64.563 -0.354 17489 999 1 5 . 1 1 47 47 ARG N N 48 118.377 118.377 118.658 -0.281 17489 1000 1 5 . 1 1 47 47 ARG HA H 48 4.061 4.061 3.998 0.063 17489 1001 1 5 . 1 1 47 47 ARG C C 48 177.487 177.487 177.100 0.387 17489 1002 1 5 . 1 1 47 47 ARG CA C 48 57.229 57.229 58.331 -1.102 17489 1003 1 5 . 1 1 47 47 ARG H H 48 8.341 8.341 8.313 0.028 17489 1004 1 5 . 1 1 48 48 TYR N N 49 117.876 117.876 117.546 0.330 17489 1005 1 5 . 1 1 48 48 TYR HA H 49 4.604 4.604 4.834 -0.230 17489 1006 1 5 . 1 1 48 48 TYR C C 49 176.515 176.515 175.693 0.822 17489 1007 1 5 . 1 1 48 48 TYR CA C 49 58.172 58.172 55.950 2.222 17489 1008 1 5 . 1 1 48 48 TYR H H 49 7.706 7.706 7.920 -0.214 17489 1009 1 5 . 1 1 49 49 SER N N 50 115.731 115.731 117.657 -1.926 17489 1010 1 5 . 1 1 49 49 SER HA H 50 4.275 4.275 4.150 0.125 17489 1011 1 5 . 1 1 49 49 SER C C 50 175.374 175.374 175.976 -0.602 17489 1012 1 5 . 1 1 49 49 SER CA C 50 60.656 60.656 62.048 -1.392 17489 1013 1 5 . 1 1 49 49 SER H H 50 7.865 7.865 7.650 0.215 17489 1014 1 5 . 1 1 50 50 ALA N N 51 124.648 124.648 124.599 0.049 17489 1015 1 5 . 1 1 50 50 ALA HA H 51 4.240 4.240 4.269 -0.029 17489 1016 1 5 . 1 1 50 50 ALA C C 51 178.939 178.939 179.754 -0.815 17489 1017 1 5 . 1 1 50 50 ALA CA C 51 53.898 53.898 54.799 -0.901 17489 1018 1 5 . 1 1 50 50 ALA H H 51 8.236 8.236 8.545 -0.309 17489 1019 1 5 . 1 1 51 51 LEU N N 52 118.847 118.847 119.467 -0.620 17489 1020 1 5 . 1 1 51 51 LEU C C 52 178.032 178.032 178.987 -0.955 17489 1021 1 5 . 1 1 51 51 LEU H H 52 7.863 7.863 7.798 0.065 17489 1022 1 5 . 1 1 52 52 ALA N N 53 122.637 122.637 122.739 -0.102 17489 1023 1 5 . 1 1 52 52 ALA HA H 53 4.187 4.187 4.070 0.117 17489 1024 1 5 . 1 1 52 52 ALA C C 53 178.553 178.553 179.935 -1.382 17489 1025 1 5 . 1 1 52 52 ALA CA C 53 53.690 53.690 55.258 -1.568 17489 1026 1 5 . 1 1 52 52 ALA H H 53 7.812 7.812 8.306 -0.494 17489 1027 1 5 . 1 1 53 53 LYS N N 54 118.359 118.359 118.964 -0.605 17489 1028 1 5 . 1 1 53 53 LYS HA H 54 4.230 4.230 4.127 0.103 17489 1029 1 5 . 1 1 53 53 LYS C C 54 177.462 177.462 178.821 -1.359 17489 1030 1 5 . 1 1 53 53 LYS CA C 54 56.909 56.909 59.241 -2.332 17489 1031 1 5 . 1 1 53 53 LYS H H 54 7.829 7.829 8.020 -0.191 17489 1032 1 5 . 1 1 54 54 LEU N N 55 121.619 121.619 121.580 0.039 17489 1033 1 5 . 1 1 54 54 LEU C C 55 177.949 177.949 178.312 -0.363 17489 1034 1 5 . 1 1 54 54 LEU H H 55 7.740 7.740 8.134 -0.394 17489 1035 1 5 . 1 1 55 55 SER N N 56 115.311 115.311 114.314 0.997 17489 1036 1 5 . 1 1 55 55 SER HA H 56 4.233 4.233 4.337 -0.104 17489 1037 1 5 . 1 1 55 55 SER CA C 56 59.078 59.078 61.302 -2.224 17489 1038 1 5 . 1 1 55 55 SER H H 56 7.965 7.965 8.403 -0.438 17489 1039 1 5 . 1 1 56 56 GLU N N 57 122.414 122.414 120.803 1.611 17489 1040 1 5 . 1 1 56 56 GLU CA C 57 56.682 56.682 57.640 -0.958 17489 1041 1 5 . 1 1 56 56 GLU H H 57 8.059 8.059 7.819 0.240 17489 1042 1 5 . 1 1 57 57 LYS N N 58 121.832 121.832 118.839 2.993 17489 1043 1 5 . 1 1 57 57 LYS C C 58 176.820 176.820 177.291 -0.471 17489 1044 1 5 . 1 1 57 57 LYS CA C 58 56.768 56.768 58.624 -1.856 17489 1045 1 5 . 1 1 57 57 LYS H H 58 8.097 8.097 7.982 0.115 17489 1046 1 6 . 1 1 11 11 ASN N N 12 119.980 119.980 118.218 1.762 17489 1047 1 6 . 1 1 11 11 ASN HA H 12 4.692 4.692 4.802 -0.110 17489 1048 1 6 . 1 1 11 11 ASN CA C 12 53.862 53.862 54.914 -1.052 17489 1049 1 6 . 1 1 11 11 ASN H H 12 8.406 8.406 9.098 -0.692 17489 1050 1 6 . 1 1 12 12 THR N N 13 112.320 112.320 110.915 1.405 17489 1051 1 6 . 1 1 12 12 THR HA H 13 4.435 4.435 4.768 -0.333 17489 1052 1 6 . 1 1 12 12 THR C C 13 174.968 174.968 174.914 0.054 17489 1053 1 6 . 1 1 12 12 THR CA C 13 61.114 61.114 60.140 0.974 17489 1054 1 6 . 1 1 12 12 THR H H 13 7.868 7.868 7.638 0.230 17489 1055 1 6 . 1 1 13 13 LYS N N 14 122.764 122.764 120.686 2.078 17489 1056 1 6 . 1 1 13 13 LYS HA H 14 4.220 4.220 3.956 0.264 17489 1057 1 6 . 1 1 13 13 LYS C C 14 177.768 177.768 178.615 -0.847 17489 1058 1 6 . 1 1 13 13 LYS CA C 14 58.108 58.108 60.138 -2.030 17489 1059 1 6 . 1 1 13 13 LYS H H 14 9.495 9.495 8.719 0.776 17489 1060 1 6 . 1 1 14 14 GLU N N 15 120.850 120.850 119.490 1.360 17489 1061 1 6 . 1 1 14 14 GLU HA H 15 4.122 4.122 4.054 0.068 17489 1062 1 6 . 1 1 14 14 GLU C C 15 177.989 177.989 178.959 -0.970 17489 1063 1 6 . 1 1 14 14 GLU CA C 15 58.487 58.487 59.611 -1.124 17489 1064 1 6 . 1 1 14 14 GLU H H 15 8.304 8.304 8.664 -0.360 17489 1065 1 6 . 1 1 15 15 GLU N N 16 121.042 121.042 119.937 1.105 17489 1066 1 6 . 1 1 15 15 GLU HA H 16 4.195 4.195 4.067 0.128 17489 1067 1 6 . 1 1 15 15 GLU C C 16 177.809 177.809 178.841 -1.032 17489 1068 1 6 . 1 1 15 15 GLU CA C 16 58.063 58.063 59.047 -0.984 17489 1069 1 6 . 1 1 15 15 GLU H H 16 8.165 8.165 7.918 0.247 17489 1070 1 6 . 1 1 16 16 ALA N N 17 123.692 123.692 122.439 1.253 17489 1071 1 6 . 1 1 16 16 ALA HA H 17 3.857 3.857 3.520 0.337 17489 1072 1 6 . 1 1 16 16 ALA C C 17 178.494 178.494 178.996 -0.502 17489 1073 1 6 . 1 1 16 16 ALA CA C 17 54.016 54.016 54.920 -0.904 17489 1074 1 6 . 1 1 16 16 ALA H H 17 7.929 7.929 8.143 -0.214 17489 1075 1 6 . 1 1 17 17 LYS N N 18 119.118 119.118 117.716 1.402 17489 1076 1 6 . 1 1 17 17 LYS HA H 18 4.063 4.063 4.087 -0.024 17489 1077 1 6 . 1 1 17 17 LYS C C 18 178.031 178.031 178.950 -0.919 17489 1078 1 6 . 1 1 17 17 LYS CA C 18 58.710 58.710 59.544 -0.834 17489 1079 1 6 . 1 1 17 17 LYS H H 18 7.962 7.962 7.926 0.036 17489 1080 1 6 . 1 1 18 18 GLN N N 19 119.841 119.841 119.629 0.212 17489 1081 1 6 . 1 1 18 18 GLN C C 19 176.953 176.953 178.030 -1.077 17489 1082 1 6 . 1 1 18 18 GLN CA C 19 57.371 57.371 58.591 -1.220 17489 1083 1 6 . 1 1 18 18 GLN H H 19 7.999 7.999 7.986 0.014 17489 1084 1 6 . 1 1 19 19 ALA N N 20 123.397 123.397 121.770 1.627 17489 1085 1 6 . 1 1 19 19 ALA HA H 20 4.185 4.185 4.278 -0.093 17489 1086 1 6 . 1 1 19 19 ALA C C 20 178.456 178.456 179.528 -1.072 17489 1087 1 6 . 1 1 19 19 ALA CA C 20 54.148 54.148 54.453 -0.305 17489 1088 1 6 . 1 1 19 19 ALA H H 20 8.007 8.007 7.631 0.376 17489 1089 1 6 . 1 1 20 20 PHE N N 21 119.266 119.266 117.783 1.483 17489 1090 1 6 . 1 1 20 20 PHE HA H 21 4.327 4.327 3.909 0.418 17489 1091 1 6 . 1 1 20 20 PHE C C 21 176.183 176.183 178.084 -1.901 17489 1092 1 6 . 1 1 20 20 PHE CA C 21 59.670 59.670 59.208 0.462 17489 1093 1 6 . 1 1 20 20 PHE H H 21 8.049 8.049 7.819 0.230 17489 1094 1 6 . 1 1 21 21 LYS N N 22 120.665 120.665 119.328 1.337 17489 1095 1 6 . 1 1 21 21 LYS HA H 22 3.990 3.990 3.929 0.060 17489 1096 1 6 . 1 1 21 21 LYS C C 22 178.052 178.052 179.023 -0.971 17489 1097 1 6 . 1 1 21 21 LYS CA C 22 58.903 58.903 59.980 -1.077 17489 1098 1 6 . 1 1 21 21 LYS H H 22 7.912 7.912 8.489 -0.577 17489 1099 1 6 . 1 1 22 22 GLU N N 23 120.435 120.435 119.629 0.806 17489 1100 1 6 . 1 1 22 22 GLU HA H 23 4.132 4.132 3.982 0.150 17489 1101 1 6 . 1 1 22 22 GLU C C 23 177.367 177.367 178.909 -1.542 17489 1102 1 6 . 1 1 22 22 GLU CA C 23 58.106 58.106 59.332 -1.226 17489 1103 1 6 . 1 1 22 22 GLU H H 23 8.073 8.073 7.875 0.198 17489 1104 1 6 . 1 1 23 23 ALA N N 24 123.786 123.786 122.105 1.681 17489 1105 1 6 . 1 1 23 23 ALA HA H 24 4.099 4.099 3.467 0.632 17489 1106 1 6 . 1 1 23 23 ALA C C 24 178.713 178.713 179.252 -0.539 17489 1107 1 6 . 1 1 23 23 ALA CA C 24 54.248 54.248 54.714 -0.466 17489 1108 1 6 . 1 1 23 23 ALA H H 24 8.057 8.057 7.848 0.209 17489 1109 1 6 . 1 1 24 24 LEU N N 25 119.319 119.319 119.194 0.125 17489 1110 1 6 . 1 1 24 24 LEU C C 25 178.595 178.595 178.979 -0.384 17489 1111 1 6 . 1 1 24 24 LEU H H 25 7.892 7.892 8.146 -0.254 17489 1112 1 6 . 1 1 25 25 LYS N N 26 120.783 120.783 119.185 1.598 17489 1113 1 6 . 1 1 25 25 LYS HA H 26 4.374 4.374 3.957 0.417 17489 1114 1 6 . 1 1 25 25 LYS C C 26 177.655 177.655 179.554 -1.899 17489 1115 1 6 . 1 1 25 25 LYS CA C 26 58.024 58.024 60.081 -2.057 17489 1116 1 6 . 1 1 25 25 LYS H H 26 7.803 7.803 8.115 -0.312 17489 1117 1 6 . 1 1 26 26 GLU N N 27 120.184 120.184 120.643 -0.459 17489 1118 1 6 . 1 1 26 26 GLU HA H 27 4.212 4.212 4.180 0.032 17489 1119 1 6 . 1 1 26 26 GLU C C 27 176.628 176.628 177.942 -1.314 17489 1120 1 6 . 1 1 26 26 GLU CA C 27 57.339 57.339 58.852 -1.513 17489 1121 1 6 . 1 1 26 26 GLU H H 27 8.016 8.016 7.794 0.222 17489 1122 1 6 . 1 1 27 27 LYS N N 28 119.854 119.854 115.848 4.006 17489 1123 1 6 . 1 1 27 27 LYS HA H 28 4.265 4.265 4.459 -0.194 17489 1124 1 6 . 1 1 27 27 LYS C C 28 176.019 176.019 175.666 0.353 17489 1125 1 6 . 1 1 27 27 LYS CA C 28 55.918 55.918 54.861 1.058 17489 1126 1 6 . 1 1 27 27 LYS H H 28 8.101 8.101 7.683 0.418 17489 1127 1 6 . 1 1 28 28 ARG N N 29 120.694 120.694 117.601 3.093 17489 1128 1 6 . 1 1 28 28 ARG HA H 29 4.252 4.252 3.932 0.320 17489 1129 1 6 . 1 1 28 28 ARG C C 29 176.036 176.036 175.913 0.123 17489 1130 1 6 . 1 1 28 28 ARG CA C 29 56.321 56.321 56.837 -0.516 17489 1131 1 6 . 1 1 28 28 ARG H H 29 8.170 8.170 7.675 0.495 17489 1132 1 6 . 1 1 29 29 VAL N N 30 121.196 121.196 120.609 0.587 17489 1133 1 6 . 1 1 29 29 VAL H H 30 7.961 7.961 7.916 0.045 17489 1134 1 6 . 1 1 30 30 PRO HA H 31 4.416 4.416 4.444 -0.028 17489 1135 1 6 . 1 1 30 30 PRO C C 31 177.177 177.177 177.127 0.050 17489 1136 1 6 . 1 1 30 30 PRO CA C 31 62.849 62.849 62.978 -0.129 17489 1137 1 6 . 1 1 31 31 SER N N 32 116.064 116.064 116.852 -0.788 17489 1138 1 6 . 1 1 31 31 SER HA H 32 4.322 4.322 4.219 0.103 17489 1139 1 6 . 1 1 31 31 SER C C 32 174.622 174.622 174.919 -0.297 17489 1140 1 6 . 1 1 31 31 SER CA C 32 59.338 59.338 60.432 -1.094 17489 1141 1 6 . 1 1 31 31 SER H H 32 8.399 8.399 8.603 -0.204 17489 1142 1 6 . 1 1 32 32 ASN N N 33 119.120 119.120 117.959 1.161 17489 1143 1 6 . 1 1 32 32 ASN HA H 33 4.705 4.705 4.767 -0.062 17489 1144 1 6 . 1 1 32 32 ASN C C 33 175.221 175.221 174.726 0.495 17489 1145 1 6 . 1 1 32 32 ASN CA C 33 52.789 52.789 53.091 -0.302 17489 1146 1 6 . 1 1 32 32 ASN H H 33 8.235 8.235 8.063 0.171 17489 1147 1 6 . 1 1 33 33 ALA N N 34 123.533 123.533 123.024 0.509 17489 1148 1 6 . 1 1 33 33 ALA HA H 34 4.289 4.289 4.542 -0.253 17489 1149 1 6 . 1 1 33 33 ALA C C 34 178.235 178.235 177.484 0.751 17489 1150 1 6 . 1 1 33 33 ALA CA C 34 52.847 52.847 51.596 1.251 17489 1151 1 6 . 1 1 33 33 ALA H H 34 7.948 7.948 7.409 0.539 17489 1152 1 6 . 1 1 34 34 SER N N 35 115.510 115.510 118.886 -3.376 17489 1153 1 6 . 1 1 34 34 SER HA H 35 4.535 4.535 4.617 -0.082 17489 1154 1 6 . 1 1 34 34 SER C C 35 175.129 175.129 175.486 -0.357 17489 1155 1 6 . 1 1 34 34 SER CA C 35 57.986 57.986 57.104 0.882 17489 1156 1 6 . 1 1 34 34 SER H H 35 8.255 8.255 8.912 -0.656 17489 1157 1 6 . 1 1 35 35 TRP N N 36 123.351 123.351 124.792 -1.441 17489 1158 1 6 . 1 1 35 35 TRP HA H 36 4.313 4.313 4.302 0.011 17489 1159 1 6 . 1 1 35 35 TRP C C 36 177.081 177.081 177.559 -0.478 17489 1160 1 6 . 1 1 35 35 TRP CA C 36 59.360 59.360 61.338 -1.978 17489 1161 1 6 . 1 1 35 35 TRP H H 36 8.083 8.083 9.117 -1.034 17489 1162 1 6 . 1 1 36 36 GLU N N 37 119.014 119.014 118.508 0.506 17489 1163 1 6 . 1 1 36 36 GLU HA H 37 3.700 3.700 3.797 -0.097 17489 1164 1 6 . 1 1 36 36 GLU C C 37 178.317 178.317 178.520 -0.203 17489 1165 1 6 . 1 1 36 36 GLU CA C 37 59.332 59.332 60.031 -0.699 17489 1166 1 6 . 1 1 36 36 GLU H H 37 8.070 8.070 8.671 -0.601 17489 1167 1 6 . 1 1 37 37 GLN N N 38 118.887 118.887 118.630 0.257 17489 1168 1 6 . 1 1 37 37 GLN HA H 38 4.101 4.101 3.955 0.146 17489 1169 1 6 . 1 1 37 37 GLN C C 38 177.593 177.593 178.490 -0.897 17489 1170 1 6 . 1 1 37 37 GLN H H 38 7.822 7.822 7.679 0.143 17489 1171 1 6 . 1 1 38 38 ALA N N 39 122.732 122.732 122.966 -0.234 17489 1172 1 6 . 1 1 38 38 ALA HA H 39 4.056 4.056 3.903 0.153 17489 1173 1 6 . 1 1 38 38 ALA C C 39 179.122 179.122 179.608 -0.486 17489 1174 1 6 . 1 1 38 38 ALA CA C 39 54.470 54.470 54.950 -0.480 17489 1175 1 6 . 1 1 38 38 ALA H H 39 8.118 8.118 8.127 -0.009 17489 1176 1 6 . 1 1 39 39 MET N N 40 116.548 116.548 116.606 -0.058 17489 1177 1 6 . 1 1 39 39 MET HA H 40 4.116 4.116 3.729 0.387 17489 1178 1 6 . 1 1 39 39 MET C C 40 177.425 177.425 178.429 -1.004 17489 1179 1 6 . 1 1 39 39 MET CA C 40 56.856 56.856 56.491 0.365 17489 1180 1 6 . 1 1 39 39 MET H H 40 8.003 8.003 7.752 0.251 17489 1181 1 6 . 1 1 40 40 LYS N N 41 119.136 119.136 119.825 -0.689 17489 1182 1 6 . 1 1 40 40 LYS HA H 41 4.035 4.035 3.901 0.134 17489 1183 1 6 . 1 1 40 40 LYS C C 41 177.546 177.546 179.107 -1.561 17489 1184 1 6 . 1 1 40 40 LYS CA C 41 58.454 58.454 59.730 -1.276 17489 1185 1 6 . 1 1 41 41 MET N N 42 117.901 117.901 118.161 -0.260 17489 1186 1 6 . 1 1 41 41 MET HA H 42 4.309 4.309 4.148 0.161 17489 1187 1 6 . 1 1 41 41 MET C C 42 177.178 177.178 178.758 -1.580 17489 1188 1 6 . 1 1 41 41 MET CA C 42 57.094 57.094 57.617 -0.523 17489 1189 1 6 . 1 1 41 41 MET H H 42 7.732 7.732 7.587 0.145 17489 1190 1 6 . 1 1 42 42 ILE N N 43 119.588 119.588 119.445 0.143 17489 1191 1 6 . 1 1 42 42 ILE HA H 43 4.054 4.054 3.644 0.410 17489 1192 1 6 . 1 1 42 42 ILE C C 43 176.560 176.560 177.794 -1.234 17489 1193 1 6 . 1 1 42 42 ILE H H 43 7.766 7.766 7.144 0.622 17489 1194 1 6 . 1 1 43 43 ILE N N 44 120.275 120.275 117.953 2.322 17489 1195 1 6 . 1 1 43 43 ILE C C 44 176.056 176.056 177.408 -1.352 17489 1196 1 6 . 1 1 43 43 ILE H H 44 7.899 7.899 7.874 0.025 17489 1197 1 6 . 1 1 44 44 ASN N N 45 119.135 119.135 116.555 2.580 17489 1198 1 6 . 1 1 44 44 ASN HA H 45 4.711 4.711 4.545 0.166 17489 1199 1 6 . 1 1 44 44 ASN CA C 45 53.323 53.323 54.861 -1.538 17489 1200 1 6 . 1 1 44 44 ASN H H 45 7.900 7.900 7.936 -0.036 17489 1201 1 6 . 1 1 45 45 ASP N N 46 122.730 122.730 120.340 2.390 17489 1202 1 6 . 1 1 45 45 ASP HA H 46 4.997 4.997 5.046 -0.049 17489 1203 1 6 . 1 1 45 45 ASP CA C 46 51.864 51.864 50.942 0.922 17489 1204 1 6 . 1 1 45 45 ASP H H 46 7.854 7.854 7.561 0.293 17489 1205 1 6 . 1 1 46 46 PRO HA H 47 4.420 4.420 4.266 0.154 17489 1206 1 6 . 1 1 46 46 PRO C C 47 178.053 178.053 178.612 -0.559 17489 1207 1 6 . 1 1 46 46 PRO CA C 47 64.209 64.209 64.738 -0.529 17489 1208 1 6 . 1 1 47 47 ARG N N 48 118.377 118.377 117.391 0.986 17489 1209 1 6 . 1 1 47 47 ARG HA H 48 4.061 4.061 3.998 0.063 17489 1210 1 6 . 1 1 47 47 ARG C C 48 177.487 177.487 177.174 0.313 17489 1211 1 6 . 1 1 47 47 ARG CA C 48 57.229 57.229 58.494 -1.265 17489 1212 1 6 . 1 1 47 47 ARG H H 48 8.341 8.341 8.225 0.116 17489 1213 1 6 . 1 1 48 48 TYR N N 49 117.876 117.876 116.839 1.037 17489 1214 1 6 . 1 1 48 48 TYR HA H 49 4.604 4.604 4.860 -0.256 17489 1215 1 6 . 1 1 48 48 TYR C C 49 176.515 176.515 175.377 1.138 17489 1216 1 6 . 1 1 48 48 TYR CA C 49 58.172 58.172 56.095 2.077 17489 1217 1 6 . 1 1 48 48 TYR H H 49 7.706 7.706 7.969 -0.263 17489 1218 1 6 . 1 1 49 49 SER N N 50 115.731 115.731 117.519 -1.788 17489 1219 1 6 . 1 1 49 49 SER HA H 50 4.275 4.275 4.162 0.113 17489 1220 1 6 . 1 1 49 49 SER C C 50 175.374 175.374 176.122 -0.748 17489 1221 1 6 . 1 1 49 49 SER CA C 50 60.656 60.656 61.730 -1.074 17489 1222 1 6 . 1 1 49 49 SER H H 50 7.865 7.865 7.921 -0.056 17489 1223 1 6 . 1 1 50 50 ALA N N 51 124.648 124.648 124.071 0.577 17489 1224 1 6 . 1 1 50 50 ALA HA H 51 4.240 4.240 4.327 -0.087 17489 1225 1 6 . 1 1 50 50 ALA C C 51 178.939 178.939 179.540 -0.601 17489 1226 1 6 . 1 1 50 50 ALA CA C 51 53.898 53.898 54.743 -0.845 17489 1227 1 6 . 1 1 50 50 ALA H H 51 8.236 8.236 8.578 -0.342 17489 1228 1 6 . 1 1 51 51 LEU N N 52 118.847 118.847 119.421 -0.574 17489 1229 1 6 . 1 1 51 51 LEU C C 52 178.032 178.032 178.923 -0.891 17489 1230 1 6 . 1 1 51 51 LEU H H 52 7.863 7.863 7.786 0.077 17489 1231 1 6 . 1 1 52 52 ALA N N 53 122.637 122.637 122.829 -0.192 17489 1232 1 6 . 1 1 52 52 ALA HA H 53 4.187 4.187 3.941 0.246 17489 1233 1 6 . 1 1 52 52 ALA C C 53 178.553 178.553 179.897 -1.344 17489 1234 1 6 . 1 1 52 52 ALA CA C 53 53.690 53.690 55.185 -1.495 17489 1235 1 6 . 1 1 52 52 ALA H H 53 7.812 7.812 8.308 -0.496 17489 1236 1 6 . 1 1 53 53 LYS N N 54 118.359 118.359 118.765 -0.406 17489 1237 1 6 . 1 1 53 53 LYS HA H 54 4.230 4.230 4.087 0.143 17489 1238 1 6 . 1 1 53 53 LYS C C 54 177.462 177.462 178.851 -1.389 17489 1239 1 6 . 1 1 53 53 LYS CA C 54 56.909 56.909 59.151 -2.243 17489 1240 1 6 . 1 1 53 53 LYS H H 54 7.829 7.829 7.855 -0.026 17489 1241 1 6 . 1 1 54 54 LEU N N 55 121.619 121.619 121.191 0.428 17489 1242 1 6 . 1 1 54 54 LEU C C 55 177.949 177.949 178.902 -0.953 17489 1243 1 6 . 1 1 54 54 LEU H H 55 7.740 7.740 8.045 -0.305 17489 1244 1 6 . 1 1 55 55 SER N N 56 115.311 115.311 113.843 1.468 17489 1245 1 6 . 1 1 55 55 SER HA H 56 4.233 4.233 4.488 -0.255 17489 1246 1 6 . 1 1 55 55 SER CA C 56 59.078 59.078 61.176 -2.098 17489 1247 1 6 . 1 1 55 55 SER H H 56 7.965 7.965 8.311 -0.346 17489 1248 1 6 . 1 1 56 56 GLU N N 57 122.414 122.414 119.818 2.596 17489 1249 1 6 . 1 1 56 56 GLU CA C 57 56.682 56.682 56.766 -0.084 17489 1250 1 6 . 1 1 56 56 GLU H H 57 8.059 8.059 7.828 0.231 17489 1251 1 6 . 1 1 57 57 LYS N N 58 121.832 121.832 120.771 1.061 17489 1252 1 6 . 1 1 57 57 LYS C C 58 176.820 176.820 175.102 1.718 17489 1253 1 6 . 1 1 57 57 LYS CA C 58 56.768 56.768 57.208 -0.440 17489 1254 1 6 . 1 1 57 57 LYS H H 58 8.097 8.097 7.727 0.370 17489 1255 1 7 . 1 1 11 11 ASN N N 12 119.980 119.980 121.249 -1.269 17489 1256 1 7 . 1 1 11 11 ASN HA H 12 4.692 4.692 4.934 -0.242 17489 1257 1 7 . 1 1 11 11 ASN CA C 12 53.862 53.862 53.641 0.221 17489 1258 1 7 . 1 1 11 11 ASN H H 12 8.406 8.406 9.093 -0.687 17489 1259 1 7 . 1 1 12 12 THR N N 13 112.320 112.320 114.740 -2.420 17489 1260 1 7 . 1 1 12 12 THR HA H 13 4.435 4.435 4.534 -0.099 17489 1261 1 7 . 1 1 12 12 THR C C 13 174.968 174.968 174.344 0.624 17489 1262 1 7 . 1 1 12 12 THR CA C 13 61.114 61.114 61.381 -0.267 17489 1263 1 7 . 1 1 12 12 THR H H 13 7.868 7.868 7.901 -0.033 17489 1264 1 7 . 1 1 13 13 LYS N N 14 122.764 122.764 126.922 -4.158 17489 1265 1 7 . 1 1 13 13 LYS HA H 14 4.220 4.220 4.000 0.220 17489 1266 1 7 . 1 1 13 13 LYS C C 14 177.768 177.768 178.277 -0.509 17489 1267 1 7 . 1 1 13 13 LYS CA C 14 58.108 58.108 60.590 -2.482 17489 1268 1 7 . 1 1 13 13 LYS H H 14 9.495 9.495 8.881 0.614 17489 1269 1 7 . 1 1 14 14 GLU N N 15 120.850 120.850 119.286 1.564 17489 1270 1 7 . 1 1 14 14 GLU HA H 15 4.122 4.122 4.032 0.090 17489 1271 1 7 . 1 1 14 14 GLU C C 15 177.989 177.989 178.726 -0.737 17489 1272 1 7 . 1 1 14 14 GLU CA C 15 58.487 58.487 59.622 -1.135 17489 1273 1 7 . 1 1 14 14 GLU H H 15 8.304 8.304 8.713 -0.409 17489 1274 1 7 . 1 1 15 15 GLU N N 16 121.042 121.042 118.696 2.346 17489 1275 1 7 . 1 1 15 15 GLU HA H 16 4.195 4.195 3.737 0.458 17489 1276 1 7 . 1 1 15 15 GLU C C 16 177.809 177.809 178.046 -0.237 17489 1277 1 7 . 1 1 15 15 GLU CA C 16 58.063 58.063 58.340 -0.277 17489 1278 1 7 . 1 1 15 15 GLU H H 16 8.165 8.165 8.284 -0.119 17489 1279 1 7 . 1 1 16 16 ALA N N 17 123.692 123.692 122.117 1.575 17489 1280 1 7 . 1 1 16 16 ALA HA H 17 3.857 3.857 3.787 0.070 17489 1281 1 7 . 1 1 16 16 ALA C C 17 178.494 178.494 179.716 -1.222 17489 1282 1 7 . 1 1 16 16 ALA CA C 17 54.016 54.016 55.030 -1.014 17489 1283 1 7 . 1 1 16 16 ALA H H 17 7.929 7.929 7.697 0.232 17489 1284 1 7 . 1 1 17 17 LYS N N 18 119.118 119.118 118.330 0.788 17489 1285 1 7 . 1 1 17 17 LYS HA H 18 4.063 4.063 4.167 -0.104 17489 1286 1 7 . 1 1 17 17 LYS C C 18 178.031 178.031 179.081 -1.050 17489 1287 1 7 . 1 1 17 17 LYS CA C 18 58.710 58.710 60.015 -1.305 17489 1288 1 7 . 1 1 17 17 LYS H H 18 7.962 7.962 8.155 -0.193 17489 1289 1 7 . 1 1 18 18 GLN N N 19 119.841 119.841 119.120 0.721 17489 1290 1 7 . 1 1 18 18 GLN C C 19 176.953 176.953 178.077 -1.124 17489 1291 1 7 . 1 1 18 18 GLN CA C 19 57.371 57.371 58.483 -1.111 17489 1292 1 7 . 1 1 18 18 GLN H H 19 7.999 7.999 7.927 0.072 17489 1293 1 7 . 1 1 19 19 ALA N N 20 123.397 123.397 122.155 1.242 17489 1294 1 7 . 1 1 19 19 ALA HA H 20 4.185 4.185 4.346 -0.161 17489 1295 1 7 . 1 1 19 19 ALA C C 20 178.456 178.456 179.574 -1.118 17489 1296 1 7 . 1 1 19 19 ALA CA C 20 54.148 54.148 54.593 -0.445 17489 1297 1 7 . 1 1 19 19 ALA H H 20 8.007 8.007 7.717 0.290 17489 1298 1 7 . 1 1 20 20 PHE N N 21 119.266 119.266 118.006 1.260 17489 1299 1 7 . 1 1 20 20 PHE HA H 21 4.327 4.327 4.045 0.282 17489 1300 1 7 . 1 1 20 20 PHE C C 21 176.183 176.183 177.881 -1.698 17489 1301 1 7 . 1 1 20 20 PHE CA C 21 59.670 59.670 61.846 -2.176 17489 1302 1 7 . 1 1 20 20 PHE H H 21 8.049 8.049 8.285 -0.236 17489 1303 1 7 . 1 1 21 21 LYS N N 22 120.665 120.665 119.298 1.367 17489 1304 1 7 . 1 1 21 21 LYS HA H 22 3.990 3.990 3.964 0.026 17489 1305 1 7 . 1 1 21 21 LYS C C 22 178.052 178.052 179.053 -1.001 17489 1306 1 7 . 1 1 21 21 LYS CA C 22 58.903 58.903 60.007 -1.104 17489 1307 1 7 . 1 1 21 21 LYS H H 22 7.912 7.912 8.112 -0.200 17489 1308 1 7 . 1 1 22 22 GLU N N 23 120.435 120.435 119.811 0.624 17489 1309 1 7 . 1 1 22 22 GLU HA H 23 4.132 4.132 4.013 0.119 17489 1310 1 7 . 1 1 22 22 GLU C C 23 177.367 177.367 178.961 -1.594 17489 1311 1 7 . 1 1 22 22 GLU CA C 23 58.106 58.106 59.312 -1.206 17489 1312 1 7 . 1 1 22 22 GLU H H 23 8.073 8.073 8.067 0.006 17489 1313 1 7 . 1 1 23 23 ALA N N 24 123.786 123.786 122.589 1.197 17489 1314 1 7 . 1 1 23 23 ALA HA H 24 4.099 4.099 3.707 0.392 17489 1315 1 7 . 1 1 23 23 ALA C C 24 178.713 178.713 179.217 -0.504 17489 1316 1 7 . 1 1 23 23 ALA CA C 24 54.248 54.248 54.578 -0.330 17489 1317 1 7 . 1 1 23 23 ALA H H 24 8.057 8.057 7.963 0.094 17489 1318 1 7 . 1 1 24 24 LEU N N 25 119.319 119.319 119.787 -0.468 17489 1319 1 7 . 1 1 24 24 LEU C C 25 178.595 178.595 178.503 0.092 17489 1320 1 7 . 1 1 24 24 LEU H H 25 7.892 7.892 8.264 -0.372 17489 1321 1 7 . 1 1 25 25 LYS N N 26 120.783 120.783 117.761 3.022 17489 1322 1 7 . 1 1 25 25 LYS HA H 26 4.374 4.374 3.986 0.388 17489 1323 1 7 . 1 1 25 25 LYS C C 26 177.655 177.655 179.488 -1.833 17489 1324 1 7 . 1 1 25 25 LYS CA C 26 58.024 58.024 59.734 -1.710 17489 1325 1 7 . 1 1 25 25 LYS H H 26 7.803 7.803 7.940 -0.137 17489 1326 1 7 . 1 1 26 26 GLU N N 27 120.184 120.184 121.063 -0.879 17489 1327 1 7 . 1 1 26 26 GLU HA H 27 4.212 4.212 4.181 0.031 17489 1328 1 7 . 1 1 26 26 GLU C C 27 176.628 176.628 177.980 -1.352 17489 1329 1 7 . 1 1 26 26 GLU CA C 27 57.339 57.339 58.898 -1.558 17489 1330 1 7 . 1 1 26 26 GLU H H 27 8.016 8.016 8.076 -0.060 17489 1331 1 7 . 1 1 27 27 LYS N N 28 119.854 119.854 115.759 4.095 17489 1332 1 7 . 1 1 27 27 LYS HA H 28 4.265 4.265 4.465 -0.200 17489 1333 1 7 . 1 1 27 27 LYS C C 28 176.019 176.019 175.725 0.294 17489 1334 1 7 . 1 1 27 27 LYS CA C 28 55.918 55.918 54.898 1.020 17489 1335 1 7 . 1 1 27 27 LYS H H 28 8.101 8.101 7.803 0.297 17489 1336 1 7 . 1 1 28 28 ARG N N 29 120.694 120.694 117.641 3.053 17489 1337 1 7 . 1 1 28 28 ARG HA H 29 4.252 4.252 3.944 0.308 17489 1338 1 7 . 1 1 28 28 ARG C C 29 176.036 176.036 175.952 0.084 17489 1339 1 7 . 1 1 28 28 ARG CA C 29 56.321 56.321 56.844 -0.524 17489 1340 1 7 . 1 1 28 28 ARG H H 29 8.170 8.170 7.803 0.367 17489 1341 1 7 . 1 1 29 29 VAL N N 30 121.196 121.196 120.490 0.706 17489 1342 1 7 . 1 1 29 29 VAL H H 30 7.961 7.961 7.625 0.337 17489 1343 1 7 . 1 1 30 30 PRO HA H 31 4.416 4.416 4.445 -0.029 17489 1344 1 7 . 1 1 30 30 PRO C C 31 177.177 177.177 177.135 0.042 17489 1345 1 7 . 1 1 30 30 PRO CA C 31 62.849 62.849 62.985 -0.136 17489 1346 1 7 . 1 1 31 31 SER N N 32 116.064 116.064 117.150 -1.086 17489 1347 1 7 . 1 1 31 31 SER HA H 32 4.322 4.322 4.194 0.128 17489 1348 1 7 . 1 1 31 31 SER C C 32 174.622 174.622 175.029 -0.407 17489 1349 1 7 . 1 1 31 31 SER CA C 32 59.338 59.338 60.568 -1.230 17489 1350 1 7 . 1 1 31 31 SER H H 32 8.399 8.399 8.622 -0.223 17489 1351 1 7 . 1 1 32 32 ASN N N 33 119.120 119.120 117.977 1.143 17489 1352 1 7 . 1 1 32 32 ASN HA H 33 4.705 4.705 4.727 -0.022 17489 1353 1 7 . 1 1 32 32 ASN C C 33 175.221 175.221 175.008 0.213 17489 1354 1 7 . 1 1 32 32 ASN CA C 33 52.789 52.789 53.281 -0.492 17489 1355 1 7 . 1 1 32 32 ASN H H 33 8.235 8.235 8.084 0.151 17489 1356 1 7 . 1 1 33 33 ALA N N 34 123.533 123.533 123.455 0.078 17489 1357 1 7 . 1 1 33 33 ALA HA H 34 4.289 4.289 4.425 -0.136 17489 1358 1 7 . 1 1 33 33 ALA C C 34 178.235 178.235 176.844 1.391 17489 1359 1 7 . 1 1 33 33 ALA CA C 34 52.847 52.847 51.997 0.850 17489 1360 1 7 . 1 1 33 33 ALA H H 34 7.948 7.948 7.506 0.442 17489 1361 1 7 . 1 1 34 34 SER N N 35 115.510 115.510 118.388 -2.878 17489 1362 1 7 . 1 1 34 34 SER HA H 35 4.535 4.535 4.449 0.086 17489 1363 1 7 . 1 1 34 34 SER C C 35 175.129 175.129 175.595 -0.466 17489 1364 1 7 . 1 1 34 34 SER CA C 35 57.986 57.986 57.050 0.936 17489 1365 1 7 . 1 1 34 34 SER H H 35 8.255 8.255 8.142 0.113 17489 1366 1 7 . 1 1 35 35 TRP N N 36 123.351 123.351 124.138 -0.787 17489 1367 1 7 . 1 1 35 35 TRP HA H 36 4.313 4.313 4.328 -0.015 17489 1368 1 7 . 1 1 35 35 TRP C C 36 177.081 177.081 177.450 -0.369 17489 1369 1 7 . 1 1 35 35 TRP CA C 36 59.360 59.360 61.265 -1.905 17489 1370 1 7 . 1 1 35 35 TRP H H 36 8.083 8.083 9.097 -1.014 17489 1371 1 7 . 1 1 36 36 GLU N N 37 119.014 119.014 117.342 1.672 17489 1372 1 7 . 1 1 36 36 GLU HA H 37 3.700 3.700 3.689 0.011 17489 1373 1 7 . 1 1 36 36 GLU C C 37 178.317 178.317 178.693 -0.376 17489 1374 1 7 . 1 1 36 36 GLU CA C 37 59.332 59.332 59.798 -0.466 17489 1375 1 7 . 1 1 36 36 GLU H H 37 8.070 8.070 8.658 -0.588 17489 1376 1 7 . 1 1 37 37 GLN N N 38 118.887 118.887 119.427 -0.540 17489 1377 1 7 . 1 1 37 37 GLN HA H 38 4.101 4.101 4.002 0.099 17489 1378 1 7 . 1 1 37 37 GLN C C 38 177.593 177.593 178.031 -0.438 17489 1379 1 7 . 1 1 37 37 GLN H H 38 7.822 7.822 7.735 0.087 17489 1380 1 7 . 1 1 38 38 ALA N N 39 122.732 122.732 122.231 0.501 17489 1381 1 7 . 1 1 38 38 ALA HA H 39 4.056 4.056 3.882 0.174 17489 1382 1 7 . 1 1 38 38 ALA C C 39 179.122 179.122 179.411 -0.289 17489 1383 1 7 . 1 1 38 38 ALA CA C 39 54.470 54.470 55.139 -0.669 17489 1384 1 7 . 1 1 38 38 ALA H H 39 8.118 8.118 7.892 0.226 17489 1385 1 7 . 1 1 39 39 MET N N 40 116.548 116.548 116.712 -0.164 17489 1386 1 7 . 1 1 39 39 MET HA H 40 4.116 4.116 3.934 0.182 17489 1387 1 7 . 1 1 39 39 MET C C 40 177.425 177.425 178.616 -1.191 17489 1388 1 7 . 1 1 39 39 MET CA C 40 56.856 56.856 57.072 -0.216 17489 1389 1 7 . 1 1 39 39 MET H H 40 8.003 8.003 7.693 0.310 17489 1390 1 7 . 1 1 40 40 LYS N N 41 119.136 119.136 119.881 -0.745 17489 1391 1 7 . 1 1 40 40 LYS HA H 41 4.035 4.035 3.986 0.049 17489 1392 1 7 . 1 1 40 40 LYS C C 41 177.546 177.546 179.210 -1.664 17489 1393 1 7 . 1 1 40 40 LYS CA C 41 58.454 58.454 59.759 -1.305 17489 1394 1 7 . 1 1 41 41 MET N N 42 117.901 117.901 117.823 0.078 17489 1395 1 7 . 1 1 41 41 MET HA H 42 4.309 4.309 4.175 0.134 17489 1396 1 7 . 1 1 41 41 MET C C 42 177.178 177.178 178.849 -1.671 17489 1397 1 7 . 1 1 41 41 MET CA C 42 57.094 57.094 57.856 -0.762 17489 1398 1 7 . 1 1 41 41 MET H H 42 7.732 7.732 7.929 -0.197 17489 1399 1 7 . 1 1 42 42 ILE N N 43 119.588 119.588 118.880 0.708 17489 1400 1 7 . 1 1 42 42 ILE HA H 43 4.054 4.054 3.759 0.295 17489 1401 1 7 . 1 1 42 42 ILE C C 43 176.560 176.560 178.864 -2.304 17489 1402 1 7 . 1 1 42 42 ILE H H 43 7.766 7.766 7.485 0.281 17489 1403 1 7 . 1 1 43 43 ILE N N 44 120.275 120.275 120.946 -0.671 17489 1404 1 7 . 1 1 43 43 ILE C C 44 176.056 176.056 177.192 -1.136 17489 1405 1 7 . 1 1 43 43 ILE H H 44 7.899 7.899 8.382 -0.483 17489 1406 1 7 . 1 1 44 44 ASN N N 45 119.135 119.135 116.157 2.978 17489 1407 1 7 . 1 1 44 44 ASN HA H 45 4.711 4.711 4.578 0.133 17489 1408 1 7 . 1 1 44 44 ASN CA C 45 53.323 53.323 54.700 -1.377 17489 1409 1 7 . 1 1 44 44 ASN H H 45 7.900 7.900 7.892 0.008 17489 1410 1 7 . 1 1 45 45 ASP N N 46 122.730 122.730 120.507 2.223 17489 1411 1 7 . 1 1 45 45 ASP HA H 46 4.997 4.997 5.033 -0.036 17489 1412 1 7 . 1 1 45 45 ASP CA C 46 51.864 51.864 51.001 0.863 17489 1413 1 7 . 1 1 45 45 ASP H H 46 7.854 7.854 7.666 0.188 17489 1414 1 7 . 1 1 46 46 PRO HA H 47 4.420 4.420 4.257 0.163 17489 1415 1 7 . 1 1 46 46 PRO C C 47 178.053 178.053 178.473 -0.420 17489 1416 1 7 . 1 1 46 46 PRO CA C 47 64.209 64.209 64.727 -0.518 17489 1417 1 7 . 1 1 47 47 ARG N N 48 118.377 118.377 117.140 1.237 17489 1418 1 7 . 1 1 47 47 ARG HA H 48 4.061 4.061 3.963 0.098 17489 1419 1 7 . 1 1 47 47 ARG C C 48 177.487 177.487 177.013 0.474 17489 1420 1 7 . 1 1 47 47 ARG CA C 48 57.229 57.229 58.314 -1.085 17489 1421 1 7 . 1 1 47 47 ARG H H 48 8.341 8.341 8.272 0.069 17489 1422 1 7 . 1 1 48 48 TYR N N 49 117.876 117.876 117.272 0.604 17489 1423 1 7 . 1 1 48 48 TYR HA H 49 4.604 4.604 4.773 -0.169 17489 1424 1 7 . 1 1 48 48 TYR C C 49 176.515 176.515 175.277 1.238 17489 1425 1 7 . 1 1 48 48 TYR CA C 49 58.172 58.172 55.902 2.270 17489 1426 1 7 . 1 1 48 48 TYR H H 49 7.706 7.706 7.988 -0.282 17489 1427 1 7 . 1 1 49 49 SER N N 50 115.731 115.731 117.295 -1.564 17489 1428 1 7 . 1 1 49 49 SER HA H 50 4.275 4.275 4.155 0.120 17489 1429 1 7 . 1 1 49 49 SER C C 50 175.374 175.374 176.008 -0.634 17489 1430 1 7 . 1 1 49 49 SER CA C 50 60.656 60.656 61.364 -0.708 17489 1431 1 7 . 1 1 49 49 SER H H 50 7.865 7.865 7.745 0.120 17489 1432 1 7 . 1 1 50 50 ALA N N 51 124.648 124.648 124.351 0.297 17489 1433 1 7 . 1 1 50 50 ALA HA H 51 4.240 4.240 4.153 0.087 17489 1434 1 7 . 1 1 50 50 ALA C C 51 178.939 178.939 179.439 -0.500 17489 1435 1 7 . 1 1 50 50 ALA CA C 51 53.898 53.898 54.617 -0.719 17489 1436 1 7 . 1 1 50 50 ALA H H 51 8.236 8.236 8.392 -0.156 17489 1437 1 7 . 1 1 51 51 LEU N N 52 118.847 118.847 119.680 -0.833 17489 1438 1 7 . 1 1 51 51 LEU C C 52 178.032 178.032 179.112 -1.080 17489 1439 1 7 . 1 1 51 51 LEU H H 52 7.863 7.863 7.471 0.392 17489 1440 1 7 . 1 1 52 52 ALA N N 53 122.637 122.637 120.041 2.596 17489 1441 1 7 . 1 1 52 52 ALA HA H 53 4.187 4.187 4.062 0.125 17489 1442 1 7 . 1 1 52 52 ALA C C 53 178.553 178.553 179.584 -1.031 17489 1443 1 7 . 1 1 52 52 ALA CA C 53 53.690 53.690 55.339 -1.649 17489 1444 1 7 . 1 1 52 52 ALA H H 53 7.812 7.812 8.193 -0.381 17489 1445 1 7 . 1 1 53 53 LYS N N 54 118.359 118.359 118.249 0.110 17489 1446 1 7 . 1 1 53 53 LYS HA H 54 4.230 4.230 4.270 -0.040 17489 1447 1 7 . 1 1 53 53 LYS C C 54 177.462 177.462 178.629 -1.167 17489 1448 1 7 . 1 1 53 53 LYS CA C 54 56.909 56.909 58.736 -1.827 17489 1449 1 7 . 1 1 53 53 LYS H H 54 7.829 7.829 7.499 0.330 17489 1450 1 7 . 1 1 54 54 LEU N N 55 121.619 121.619 120.594 1.025 17489 1451 1 7 . 1 1 54 54 LEU C C 55 177.949 177.949 178.656 -0.707 17489 1452 1 7 . 1 1 54 54 LEU H H 55 7.740 7.740 8.373 -0.633 17489 1453 1 7 . 1 1 55 55 SER N N 56 115.311 115.311 114.646 0.665 17489 1454 1 7 . 1 1 55 55 SER HA H 56 4.233 4.233 4.351 -0.118 17489 1455 1 7 . 1 1 55 55 SER CA C 56 59.078 59.078 61.248 -2.170 17489 1456 1 7 . 1 1 55 55 SER H H 56 7.965 7.965 8.553 -0.588 17489 1457 1 7 . 1 1 56 56 GLU N N 57 122.414 122.414 120.337 2.077 17489 1458 1 7 . 1 1 56 56 GLU CA C 57 56.682 56.682 57.254 -0.572 17489 1459 1 7 . 1 1 56 56 GLU H H 57 8.059 8.059 7.848 0.211 17489 1460 1 7 . 1 1 57 57 LYS N N 58 121.832 121.832 118.807 3.025 17489 1461 1 7 . 1 1 57 57 LYS C C 58 176.820 176.820 177.195 -0.375 17489 1462 1 7 . 1 1 57 57 LYS CA C 58 56.768 56.768 58.282 -1.514 17489 1463 1 7 . 1 1 57 57 LYS H H 58 8.097 8.097 7.862 0.235 17489 1464 1 8 . 1 1 11 11 ASN N N 12 119.980 119.980 118.515 1.465 17489 1465 1 8 . 1 1 11 11 ASN HA H 12 4.692 4.692 4.783 -0.091 17489 1466 1 8 . 1 1 11 11 ASN CA C 12 53.862 53.862 55.146 -1.284 17489 1467 1 8 . 1 1 11 11 ASN H H 12 8.406 8.406 9.066 -0.660 17489 1468 1 8 . 1 1 12 12 THR N N 13 112.320 112.320 111.940 0.380 17489 1469 1 8 . 1 1 12 12 THR HA H 13 4.435 4.435 4.756 -0.321 17489 1470 1 8 . 1 1 12 12 THR C C 13 174.968 174.968 175.240 -0.272 17489 1471 1 8 . 1 1 12 12 THR CA C 13 61.114 61.114 60.250 0.864 17489 1472 1 8 . 1 1 12 12 THR H H 13 7.868 7.868 7.759 0.109 17489 1473 1 8 . 1 1 13 13 LYS N N 14 122.764 122.764 120.692 2.072 17489 1474 1 8 . 1 1 13 13 LYS HA H 14 4.220 4.220 3.975 0.245 17489 1475 1 8 . 1 1 13 13 LYS C C 14 177.768 177.768 178.783 -1.015 17489 1476 1 8 . 1 1 13 13 LYS CA C 14 58.108 58.108 60.322 -2.214 17489 1477 1 8 . 1 1 13 13 LYS H H 14 9.495 9.495 8.715 0.780 17489 1478 1 8 . 1 1 14 14 GLU N N 15 120.850 120.850 119.430 1.420 17489 1479 1 8 . 1 1 14 14 GLU HA H 15 4.122 4.122 4.083 0.039 17489 1480 1 8 . 1 1 14 14 GLU C C 15 177.989 177.989 179.020 -1.031 17489 1481 1 8 . 1 1 14 14 GLU CA C 15 58.487 58.487 59.660 -1.173 17489 1482 1 8 . 1 1 14 14 GLU H H 15 8.304 8.304 8.686 -0.382 17489 1483 1 8 . 1 1 15 15 GLU N N 16 121.042 121.042 119.945 1.097 17489 1484 1 8 . 1 1 15 15 GLU HA H 16 4.195 4.195 4.123 0.072 17489 1485 1 8 . 1 1 15 15 GLU C C 16 177.809 177.809 178.998 -1.189 17489 1486 1 8 . 1 1 15 15 GLU CA C 16 58.063 58.063 59.104 -1.041 17489 1487 1 8 . 1 1 15 15 GLU H H 16 8.165 8.165 7.960 0.205 17489 1488 1 8 . 1 1 16 16 ALA N N 17 123.692 123.692 122.573 1.119 17489 1489 1 8 . 1 1 16 16 ALA HA H 17 3.857 3.857 4.040 -0.183 17489 1490 1 8 . 1 1 16 16 ALA C C 17 178.494 178.494 179.555 -1.061 17489 1491 1 8 . 1 1 16 16 ALA CA C 17 54.016 54.016 55.300 -1.284 17489 1492 1 8 . 1 1 16 16 ALA H H 17 7.929 7.929 8.317 -0.388 17489 1493 1 8 . 1 1 17 17 LYS N N 18 119.118 119.118 118.791 0.327 17489 1494 1 8 . 1 1 17 17 LYS HA H 18 4.063 4.063 4.029 0.034 17489 1495 1 8 . 1 1 17 17 LYS C C 18 178.031 178.031 178.983 -0.952 17489 1496 1 8 . 1 1 17 17 LYS CA C 18 58.710 58.710 59.596 -0.886 17489 1497 1 8 . 1 1 17 17 LYS H H 18 7.962 7.962 8.029 -0.067 17489 1498 1 8 . 1 1 18 18 GLN N N 19 119.841 119.841 119.476 0.365 17489 1499 1 8 . 1 1 18 18 GLN C C 19 176.953 176.953 178.124 -1.171 17489 1500 1 8 . 1 1 18 18 GLN CA C 19 57.371 57.371 58.508 -1.137 17489 1501 1 8 . 1 1 18 18 GLN H H 19 7.999 7.999 8.019 -0.020 17489 1502 1 8 . 1 1 19 19 ALA N N 20 123.397 123.397 122.464 0.933 17489 1503 1 8 . 1 1 19 19 ALA HA H 20 4.185 4.185 3.913 0.272 17489 1504 1 8 . 1 1 19 19 ALA C C 20 178.456 178.456 179.097 -0.641 17489 1505 1 8 . 1 1 19 19 ALA CA C 20 54.148 54.148 54.389 -0.241 17489 1506 1 8 . 1 1 19 19 ALA H H 20 8.007 8.007 7.947 0.060 17489 1507 1 8 . 1 1 20 20 PHE N N 21 119.266 119.266 119.587 -0.321 17489 1508 1 8 . 1 1 20 20 PHE HA H 21 4.327 4.327 3.836 0.491 17489 1509 1 8 . 1 1 20 20 PHE C C 21 176.183 176.183 177.189 -1.006 17489 1510 1 8 . 1 1 20 20 PHE CA C 21 59.670 59.670 61.900 -2.230 17489 1511 1 8 . 1 1 20 20 PHE H H 21 8.049 8.049 8.263 -0.214 17489 1512 1 8 . 1 1 21 21 LYS N N 22 120.665 120.665 118.488 2.177 17489 1513 1 8 . 1 1 21 21 LYS HA H 22 3.990 3.990 3.848 0.142 17489 1514 1 8 . 1 1 21 21 LYS C C 22 178.052 178.052 178.593 -0.541 17489 1515 1 8 . 1 1 21 21 LYS CA C 22 58.903 58.903 59.685 -0.783 17489 1516 1 8 . 1 1 21 21 LYS H H 22 7.912 7.912 8.378 -0.466 17489 1517 1 8 . 1 1 22 22 GLU N N 23 120.435 120.435 120.244 0.191 17489 1518 1 8 . 1 1 22 22 GLU HA H 23 4.132 4.132 3.916 0.216 17489 1519 1 8 . 1 1 22 22 GLU C C 23 177.367 177.367 178.440 -1.073 17489 1520 1 8 . 1 1 22 22 GLU CA C 23 58.106 58.106 59.418 -1.312 17489 1521 1 8 . 1 1 22 22 GLU H H 23 8.073 8.073 7.906 0.167 17489 1522 1 8 . 1 1 23 23 ALA N N 24 123.786 123.786 122.089 1.697 17489 1523 1 8 . 1 1 23 23 ALA HA H 24 4.099 4.099 3.563 0.536 17489 1524 1 8 . 1 1 23 23 ALA C C 24 178.713 178.713 179.368 -0.655 17489 1525 1 8 . 1 1 23 23 ALA CA C 24 54.248 54.248 54.316 -0.068 17489 1526 1 8 . 1 1 23 23 ALA H H 24 8.057 8.057 7.504 0.553 17489 1527 1 8 . 1 1 24 24 LEU N N 25 119.319 119.319 119.793 -0.474 17489 1528 1 8 . 1 1 24 24 LEU C C 25 178.595 178.595 178.346 0.249 17489 1529 1 8 . 1 1 24 24 LEU H H 25 7.892 7.892 7.968 -0.076 17489 1530 1 8 . 1 1 25 25 LYS N N 26 120.783 120.783 117.981 2.802 17489 1531 1 8 . 1 1 25 25 LYS HA H 26 4.374 4.374 3.961 0.413 17489 1532 1 8 . 1 1 25 25 LYS C C 26 177.655 177.655 179.655 -2.000 17489 1533 1 8 . 1 1 25 25 LYS CA C 26 58.024 58.024 59.674 -1.650 17489 1534 1 8 . 1 1 25 25 LYS H H 26 7.803 7.803 7.916 -0.113 17489 1535 1 8 . 1 1 26 26 GLU N N 27 120.184 120.184 119.653 0.531 17489 1536 1 8 . 1 1 26 26 GLU HA H 27 4.212 4.212 4.115 0.097 17489 1537 1 8 . 1 1 26 26 GLU C C 27 176.628 176.628 178.819 -2.191 17489 1538 1 8 . 1 1 26 26 GLU CA C 27 57.339 57.339 58.831 -1.492 17489 1539 1 8 . 1 1 26 26 GLU H H 27 8.016 8.016 8.015 0.001 17489 1540 1 8 . 1 1 27 27 LYS N N 28 119.854 119.854 119.118 0.736 17489 1541 1 8 . 1 1 27 27 LYS HA H 28 4.265 4.265 4.454 -0.189 17489 1542 1 8 . 1 1 27 27 LYS C C 28 176.019 176.019 176.036 -0.017 17489 1543 1 8 . 1 1 27 27 LYS CA C 28 55.918 55.918 55.120 0.798 17489 1544 1 8 . 1 1 27 27 LYS H H 28 8.101 8.101 7.806 0.295 17489 1545 1 8 . 1 1 28 28 ARG N N 29 120.694 120.694 117.436 3.258 17489 1546 1 8 . 1 1 28 28 ARG HA H 29 4.252 4.252 3.940 0.312 17489 1547 1 8 . 1 1 28 28 ARG C C 29 176.036 176.036 175.863 0.173 17489 1548 1 8 . 1 1 28 28 ARG CA C 29 56.321 56.321 57.050 -0.729 17489 1549 1 8 . 1 1 28 28 ARG H H 29 8.170 8.170 7.690 0.480 17489 1550 1 8 . 1 1 29 29 VAL N N 30 121.196 121.196 120.347 0.849 17489 1551 1 8 . 1 1 29 29 VAL H H 30 7.961 7.961 7.539 0.422 17489 1552 1 8 . 1 1 30 30 PRO HA H 31 4.416 4.416 4.441 -0.025 17489 1553 1 8 . 1 1 30 30 PRO C C 31 177.177 177.177 177.096 0.081 17489 1554 1 8 . 1 1 30 30 PRO CA C 31 62.849 62.849 63.010 -0.161 17489 1555 1 8 . 1 1 31 31 SER N N 32 116.064 116.064 116.840 -0.776 17489 1556 1 8 . 1 1 31 31 SER HA H 32 4.322 4.322 4.222 0.100 17489 1557 1 8 . 1 1 31 31 SER C C 32 174.622 174.622 174.919 -0.297 17489 1558 1 8 . 1 1 31 31 SER CA C 32 59.338 59.338 60.450 -1.112 17489 1559 1 8 . 1 1 31 31 SER H H 32 8.399 8.399 8.605 -0.206 17489 1560 1 8 . 1 1 32 32 ASN N N 33 119.120 119.120 118.085 1.035 17489 1561 1 8 . 1 1 32 32 ASN HA H 33 4.705 4.705 4.773 -0.068 17489 1562 1 8 . 1 1 32 32 ASN C C 33 175.221 175.221 174.677 0.544 17489 1563 1 8 . 1 1 32 32 ASN CA C 33 52.789 52.789 53.107 -0.318 17489 1564 1 8 . 1 1 32 32 ASN H H 33 8.235 8.235 8.062 0.173 17489 1565 1 8 . 1 1 33 33 ALA N N 34 123.533 123.533 122.913 0.620 17489 1566 1 8 . 1 1 33 33 ALA HA H 34 4.289 4.289 4.685 -0.396 17489 1567 1 8 . 1 1 33 33 ALA C C 34 178.235 178.235 177.498 0.737 17489 1568 1 8 . 1 1 33 33 ALA CA C 34 52.847 52.847 51.386 1.461 17489 1569 1 8 . 1 1 33 33 ALA H H 34 7.948 7.948 7.436 0.512 17489 1570 1 8 . 1 1 34 34 SER N N 35 115.510 115.510 119.674 -4.164 17489 1571 1 8 . 1 1 34 34 SER HA H 35 4.535 4.535 4.604 -0.069 17489 1572 1 8 . 1 1 34 34 SER C C 35 175.129 175.129 175.497 -0.368 17489 1573 1 8 . 1 1 34 34 SER CA C 35 57.986 57.986 57.271 0.715 17489 1574 1 8 . 1 1 34 34 SER H H 35 8.255 8.255 8.971 -0.716 17489 1575 1 8 . 1 1 35 35 TRP N N 36 123.351 123.351 123.881 -0.530 17489 1576 1 8 . 1 1 35 35 TRP HA H 36 4.313 4.313 4.469 -0.156 17489 1577 1 8 . 1 1 35 35 TRP C C 36 177.081 177.081 177.548 -0.467 17489 1578 1 8 . 1 1 35 35 TRP CA C 36 59.360 59.360 61.677 -2.317 17489 1579 1 8 . 1 1 35 35 TRP H H 36 8.083 8.083 9.154 -1.071 17489 1580 1 8 . 1 1 36 36 GLU N N 37 119.014 119.014 117.874 1.140 17489 1581 1 8 . 1 1 36 36 GLU HA H 37 3.700 3.700 3.987 -0.287 17489 1582 1 8 . 1 1 36 36 GLU C C 37 178.317 178.317 178.933 -0.616 17489 1583 1 8 . 1 1 36 36 GLU CA C 37 59.332 59.332 60.075 -0.743 17489 1584 1 8 . 1 1 36 36 GLU H H 37 8.070 8.070 8.833 -0.763 17489 1585 1 8 . 1 1 37 37 GLN N N 38 118.887 118.887 119.273 -0.386 17489 1586 1 8 . 1 1 37 37 GLN HA H 38 4.101 4.101 4.056 0.045 17489 1587 1 8 . 1 1 37 37 GLN C C 38 177.593 177.593 178.495 -0.902 17489 1588 1 8 . 1 1 37 37 GLN H H 38 7.822 7.822 7.866 -0.044 17489 1589 1 8 . 1 1 38 38 ALA N N 39 122.732 122.732 122.973 -0.241 17489 1590 1 8 . 1 1 38 38 ALA HA H 39 4.056 4.056 3.962 0.094 17489 1591 1 8 . 1 1 38 38 ALA C C 39 179.122 179.122 179.122 0.000 17489 1592 1 8 . 1 1 38 38 ALA CA C 39 54.470 54.470 55.022 -0.552 17489 1593 1 8 . 1 1 38 38 ALA H H 39 8.118 8.118 8.420 -0.302 17489 1594 1 8 . 1 1 39 39 MET N N 40 116.548 116.548 118.141 -1.593 17489 1595 1 8 . 1 1 39 39 MET HA H 40 4.116 4.116 3.898 0.218 17489 1596 1 8 . 1 1 39 39 MET C C 40 177.425 177.425 178.179 -0.754 17489 1597 1 8 . 1 1 39 39 MET CA C 40 56.856 56.856 59.092 -2.236 17489 1598 1 8 . 1 1 39 39 MET H H 40 8.003 8.003 8.125 -0.122 17489 1599 1 8 . 1 1 40 40 LYS N N 41 119.136 119.136 118.791 0.345 17489 1600 1 8 . 1 1 40 40 LYS HA H 41 4.035 4.035 3.948 0.087 17489 1601 1 8 . 1 1 40 40 LYS C C 41 177.546 177.546 179.170 -1.624 17489 1602 1 8 . 1 1 40 40 LYS CA C 41 58.454 58.454 59.665 -1.211 17489 1603 1 8 . 1 1 41 41 MET N N 42 117.901 117.901 118.622 -0.721 17489 1604 1 8 . 1 1 41 41 MET HA H 42 4.309 4.309 4.073 0.236 17489 1605 1 8 . 1 1 41 41 MET C C 42 177.178 177.178 178.779 -1.601 17489 1606 1 8 . 1 1 41 41 MET CA C 42 57.094 57.094 59.151 -2.057 17489 1607 1 8 . 1 1 41 41 MET H H 42 7.732 7.732 7.824 -0.092 17489 1608 1 8 . 1 1 42 42 ILE N N 43 119.588 119.588 119.452 0.136 17489 1609 1 8 . 1 1 42 42 ILE HA H 43 4.054 4.054 3.736 0.318 17489 1610 1 8 . 1 1 42 42 ILE C C 43 176.560 176.560 177.659 -1.099 17489 1611 1 8 . 1 1 42 42 ILE H H 43 7.766 7.766 7.710 0.056 17489 1612 1 8 . 1 1 43 43 ILE N N 44 120.275 120.275 117.810 2.465 17489 1613 1 8 . 1 1 43 43 ILE C C 44 176.056 176.056 177.399 -1.343 17489 1614 1 8 . 1 1 43 43 ILE H H 44 7.899 7.899 8.080 -0.181 17489 1615 1 8 . 1 1 44 44 ASN N N 45 119.135 119.135 116.665 2.470 17489 1616 1 8 . 1 1 44 44 ASN HA H 45 4.711 4.711 4.509 0.202 17489 1617 1 8 . 1 1 44 44 ASN CA C 45 53.323 53.323 54.926 -1.603 17489 1618 1 8 . 1 1 44 44 ASN H H 45 7.900 7.900 7.744 0.156 17489 1619 1 8 . 1 1 45 45 ASP N N 46 122.730 122.730 119.771 2.959 17489 1620 1 8 . 1 1 45 45 ASP HA H 46 4.997 4.997 4.895 0.102 17489 1621 1 8 . 1 1 45 45 ASP CA C 46 51.864 51.864 50.709 1.155 17489 1622 1 8 . 1 1 45 45 ASP H H 46 7.854 7.854 7.395 0.459 17489 1623 1 8 . 1 1 46 46 PRO HA H 47 4.420 4.420 4.212 0.208 17489 1624 1 8 . 1 1 46 46 PRO C C 47 178.053 178.053 178.571 -0.518 17489 1625 1 8 . 1 1 46 46 PRO CA C 47 64.209 64.209 64.787 -0.578 17489 1626 1 8 . 1 1 47 47 ARG N N 48 118.377 118.377 117.044 1.333 17489 1627 1 8 . 1 1 47 47 ARG HA H 48 4.061 4.061 4.094 -0.033 17489 1628 1 8 . 1 1 47 47 ARG C C 48 177.487 177.487 177.879 -0.392 17489 1629 1 8 . 1 1 47 47 ARG CA C 48 57.229 57.229 58.754 -1.525 17489 1630 1 8 . 1 1 47 47 ARG H H 48 8.341 8.341 8.069 0.272 17489 1631 1 8 . 1 1 48 48 TYR N N 49 117.876 117.876 116.898 0.978 17489 1632 1 8 . 1 1 48 48 TYR HA H 49 4.604 4.604 4.773 -0.169 17489 1633 1 8 . 1 1 48 48 TYR C C 49 176.515 176.515 176.529 -0.014 17489 1634 1 8 . 1 1 48 48 TYR CA C 49 58.172 58.172 54.693 3.479 17489 1635 1 8 . 1 1 48 48 TYR H H 49 7.706 7.706 7.939 -0.233 17489 1636 1 8 . 1 1 49 49 SER N N 50 115.731 115.731 117.545 -1.814 17489 1637 1 8 . 1 1 49 49 SER HA H 50 4.275 4.275 4.150 0.125 17489 1638 1 8 . 1 1 49 49 SER C C 50 175.374 175.374 175.952 -0.578 17489 1639 1 8 . 1 1 49 49 SER CA C 50 60.656 60.656 62.118 -1.462 17489 1640 1 8 . 1 1 49 49 SER H H 50 7.865 7.865 7.804 0.061 17489 1641 1 8 . 1 1 50 50 ALA N N 51 124.648 124.648 124.486 0.162 17489 1642 1 8 . 1 1 50 50 ALA HA H 51 4.240 4.240 4.308 -0.068 17489 1643 1 8 . 1 1 50 50 ALA C C 51 178.939 178.939 179.756 -0.817 17489 1644 1 8 . 1 1 50 50 ALA CA C 51 53.898 53.898 54.949 -1.051 17489 1645 1 8 . 1 1 50 50 ALA H H 51 8.236 8.236 8.486 -0.250 17489 1646 1 8 . 1 1 51 51 LEU N N 52 118.847 118.847 118.475 0.372 17489 1647 1 8 . 1 1 51 51 LEU C C 52 178.032 178.032 178.978 -0.946 17489 1648 1 8 . 1 1 51 51 LEU H H 52 7.863 7.863 7.856 0.007 17489 1649 1 8 . 1 1 52 52 ALA N N 53 122.637 122.637 123.876 -1.239 17489 1650 1 8 . 1 1 52 52 ALA HA H 53 4.187 4.187 4.024 0.163 17489 1651 1 8 . 1 1 52 52 ALA C C 53 178.553 178.553 180.115 -1.562 17489 1652 1 8 . 1 1 52 52 ALA CA C 53 53.690 53.690 55.349 -1.659 17489 1653 1 8 . 1 1 52 52 ALA H H 53 7.812 7.812 8.312 -0.500 17489 1654 1 8 . 1 1 53 53 LYS N N 54 118.359 118.359 118.108 0.251 17489 1655 1 8 . 1 1 53 53 LYS HA H 54 4.230 4.230 4.166 0.064 17489 1656 1 8 . 1 1 53 53 LYS C C 54 177.462 177.462 179.543 -2.081 17489 1657 1 8 . 1 1 53 53 LYS CA C 54 56.909 56.909 58.887 -1.978 17489 1658 1 8 . 1 1 53 53 LYS H H 54 7.829 7.829 7.980 -0.151 17489 1659 1 8 . 1 1 54 54 LEU N N 55 121.619 121.619 122.407 -0.788 17489 1660 1 8 . 1 1 54 54 LEU C C 55 177.949 177.949 178.479 -0.530 17489 1661 1 8 . 1 1 54 54 LEU H H 55 7.740 7.740 7.649 0.091 17489 1662 1 8 . 1 1 55 55 SER N N 56 115.311 115.311 114.067 1.244 17489 1663 1 8 . 1 1 55 55 SER HA H 56 4.233 4.233 4.354 -0.121 17489 1664 1 8 . 1 1 55 55 SER CA C 56 59.078 59.078 61.555 -2.477 17489 1665 1 8 . 1 1 55 55 SER H H 56 7.965 7.965 8.434 -0.469 17489 1666 1 8 . 1 1 56 56 GLU N N 57 122.414 122.414 120.675 1.739 17489 1667 1 8 . 1 1 56 56 GLU CA C 57 56.682 56.682 57.592 -0.910 17489 1668 1 8 . 1 1 56 56 GLU H H 57 8.059 8.059 7.884 0.175 17489 1669 1 8 . 1 1 57 57 LYS N N 58 121.832 121.832 117.646 4.186 17489 1670 1 8 . 1 1 57 57 LYS C C 58 176.820 176.820 176.225 0.595 17489 1671 1 8 . 1 1 57 57 LYS CA C 58 56.768 56.768 56.541 0.227 17489 1672 1 8 . 1 1 57 57 LYS H H 58 8.097 8.097 7.901 0.196 17489 1673 1 9 . 1 1 11 11 ASN N N 12 119.980 119.980 119.794 0.186 17489 1674 1 9 . 1 1 11 11 ASN HA H 12 4.692 4.692 4.797 -0.105 17489 1675 1 9 . 1 1 11 11 ASN CA C 12 53.862 53.862 54.247 -0.385 17489 1676 1 9 . 1 1 11 11 ASN H H 12 8.406 8.406 8.759 -0.353 17489 1677 1 9 . 1 1 12 12 THR N N 13 112.320 112.320 115.188 -2.868 17489 1678 1 9 . 1 1 12 12 THR HA H 13 4.435 4.435 4.522 -0.087 17489 1679 1 9 . 1 1 12 12 THR C C 13 174.968 174.968 174.147 0.821 17489 1680 1 9 . 1 1 12 12 THR CA C 13 61.114 61.114 61.444 -0.330 17489 1681 1 9 . 1 1 12 12 THR H H 13 7.868 7.868 8.138 -0.270 17489 1682 1 9 . 1 1 13 13 LYS N N 14 122.764 122.764 127.358 -4.594 17489 1683 1 9 . 1 1 13 13 LYS HA H 14 4.220 4.220 3.914 0.306 17489 1684 1 9 . 1 1 13 13 LYS C C 14 177.768 177.768 178.123 -0.355 17489 1685 1 9 . 1 1 13 13 LYS CA C 14 58.108 58.108 60.313 -2.205 17489 1686 1 9 . 1 1 13 13 LYS H H 14 9.495 9.495 8.887 0.608 17489 1687 1 9 . 1 1 14 14 GLU N N 15 120.850 120.850 119.395 1.455 17489 1688 1 9 . 1 1 14 14 GLU HA H 15 4.122 4.122 3.973 0.149 17489 1689 1 9 . 1 1 14 14 GLU C C 15 177.989 177.989 178.609 -0.620 17489 1690 1 9 . 1 1 14 14 GLU CA C 15 58.487 58.487 59.477 -0.990 17489 1691 1 9 . 1 1 14 14 GLU H H 15 8.304 8.304 8.674 -0.370 17489 1692 1 9 . 1 1 15 15 GLU N N 16 121.042 121.042 118.736 2.306 17489 1693 1 9 . 1 1 15 15 GLU HA H 16 4.195 4.195 3.731 0.464 17489 1694 1 9 . 1 1 15 15 GLU C C 16 177.809 177.809 177.855 -0.046 17489 1695 1 9 . 1 1 15 15 GLU CA C 16 58.063 58.063 58.260 -0.197 17489 1696 1 9 . 1 1 15 15 GLU H H 16 8.165 8.165 8.077 0.088 17489 1697 1 9 . 1 1 16 16 ALA N N 17 123.692 123.692 121.950 1.742 17489 1698 1 9 . 1 1 16 16 ALA HA H 17 3.857 3.857 3.242 0.615 17489 1699 1 9 . 1 1 16 16 ALA C C 17 178.494 178.494 179.050 -0.556 17489 1700 1 9 . 1 1 16 16 ALA CA C 17 54.016 54.016 54.637 -0.621 17489 1701 1 9 . 1 1 16 16 ALA H H 17 7.929 7.929 7.376 0.553 17489 1702 1 9 . 1 1 17 17 LYS N N 18 119.118 119.118 117.483 1.635 17489 1703 1 9 . 1 1 17 17 LYS HA H 18 4.063 4.063 3.811 0.252 17489 1704 1 9 . 1 1 17 17 LYS C C 18 178.031 178.031 178.796 -0.765 17489 1705 1 9 . 1 1 17 17 LYS CA C 18 58.710 58.710 59.546 -0.836 17489 1706 1 9 . 1 1 17 17 LYS H H 18 7.962 7.962 7.917 0.045 17489 1707 1 9 . 1 1 18 18 GLN N N 19 119.841 119.841 119.283 0.558 17489 1708 1 9 . 1 1 18 18 GLN C C 19 176.953 176.953 177.940 -0.987 17489 1709 1 9 . 1 1 18 18 GLN CA C 19 57.371 57.371 58.487 -1.116 17489 1710 1 9 . 1 1 18 18 GLN H H 19 7.999 7.999 7.768 0.231 17489 1711 1 9 . 1 1 19 19 ALA N N 20 123.397 123.397 121.693 1.704 17489 1712 1 9 . 1 1 19 19 ALA HA H 20 4.185 4.185 3.908 0.277 17489 1713 1 9 . 1 1 19 19 ALA C C 20 178.456 178.456 179.512 -1.056 17489 1714 1 9 . 1 1 19 19 ALA CA C 20 54.148 54.148 54.621 -0.473 17489 1715 1 9 . 1 1 19 19 ALA H H 20 8.007 8.007 7.583 0.424 17489 1716 1 9 . 1 1 20 20 PHE N N 21 119.266 119.266 117.668 1.598 17489 1717 1 9 . 1 1 20 20 PHE HA H 21 4.327 4.327 4.043 0.284 17489 1718 1 9 . 1 1 20 20 PHE C C 21 176.183 176.183 178.090 -1.907 17489 1719 1 9 . 1 1 20 20 PHE CA C 21 59.670 59.670 59.119 0.551 17489 1720 1 9 . 1 1 20 20 PHE H H 21 8.049 8.049 7.879 0.170 17489 1721 1 9 . 1 1 21 21 LYS N N 22 120.665 120.665 119.491 1.174 17489 1722 1 9 . 1 1 21 21 LYS HA H 22 3.990 3.990 3.925 0.065 17489 1723 1 9 . 1 1 21 21 LYS C C 22 178.052 178.052 179.045 -0.993 17489 1724 1 9 . 1 1 21 21 LYS CA C 22 58.903 58.903 60.075 -1.172 17489 1725 1 9 . 1 1 21 21 LYS H H 22 7.912 7.912 8.403 -0.491 17489 1726 1 9 . 1 1 22 22 GLU N N 23 120.435 120.435 119.369 1.066 17489 1727 1 9 . 1 1 22 22 GLU HA H 23 4.132 4.132 3.955 0.177 17489 1728 1 9 . 1 1 22 22 GLU C C 23 177.367 177.367 178.809 -1.442 17489 1729 1 9 . 1 1 22 22 GLU CA C 23 58.106 58.106 59.074 -0.968 17489 1730 1 9 . 1 1 22 22 GLU H H 23 8.073 8.073 7.870 0.203 17489 1731 1 9 . 1 1 23 23 ALA N N 24 123.786 123.786 123.439 0.347 17489 1732 1 9 . 1 1 23 23 ALA HA H 24 4.099 4.099 4.277 -0.178 17489 1733 1 9 . 1 1 23 23 ALA C C 24 178.713 178.713 179.453 -0.740 17489 1734 1 9 . 1 1 23 23 ALA CA C 24 54.248 54.248 54.858 -0.611 17489 1735 1 9 . 1 1 23 23 ALA H H 24 8.057 8.057 7.753 0.304 17489 1736 1 9 . 1 1 24 24 LEU N N 25 119.319 119.319 119.790 -0.471 17489 1737 1 9 . 1 1 24 24 LEU C C 25 178.595 178.595 178.656 -0.061 17489 1738 1 9 . 1 1 24 24 LEU H H 25 7.892 7.892 8.348 -0.456 17489 1739 1 9 . 1 1 25 25 LYS N N 26 120.783 120.783 117.851 2.932 17489 1740 1 9 . 1 1 25 25 LYS HA H 26 4.374 4.374 3.973 0.401 17489 1741 1 9 . 1 1 25 25 LYS C C 26 177.655 177.655 179.495 -1.840 17489 1742 1 9 . 1 1 25 25 LYS CA C 26 58.024 58.024 59.734 -1.710 17489 1743 1 9 . 1 1 25 25 LYS H H 26 7.803 7.803 8.046 -0.243 17489 1744 1 9 . 1 1 26 26 GLU N N 27 120.184 120.184 121.099 -0.915 17489 1745 1 9 . 1 1 26 26 GLU HA H 27 4.212 4.212 4.181 0.031 17489 1746 1 9 . 1 1 26 26 GLU C C 27 176.628 176.628 178.118 -1.490 17489 1747 1 9 . 1 1 26 26 GLU CA C 27 57.339 57.339 58.944 -1.605 17489 1748 1 9 . 1 1 26 26 GLU H H 27 8.016 8.016 8.067 -0.051 17489 1749 1 9 . 1 1 27 27 LYS N N 28 119.854 119.854 115.612 4.242 17489 1750 1 9 . 1 1 27 27 LYS HA H 28 4.265 4.265 4.451 -0.186 17489 1751 1 9 . 1 1 27 27 LYS C C 28 176.019 176.019 175.451 0.568 17489 1752 1 9 . 1 1 27 27 LYS CA C 28 55.918 55.918 54.892 1.026 17489 1753 1 9 . 1 1 27 27 LYS H H 28 8.101 8.101 7.736 0.365 17489 1754 1 9 . 1 1 28 28 ARG N N 29 120.694 120.694 117.919 2.775 17489 1755 1 9 . 1 1 28 28 ARG HA H 29 4.252 4.252 3.917 0.335 17489 1756 1 9 . 1 1 28 28 ARG C C 29 176.036 176.036 175.829 0.207 17489 1757 1 9 . 1 1 28 28 ARG CA C 29 56.321 56.321 56.585 -0.264 17489 1758 1 9 . 1 1 28 28 ARG H H 29 8.170 8.170 7.650 0.520 17489 1759 1 9 . 1 1 29 29 VAL N N 30 121.196 121.196 120.579 0.617 17489 1760 1 9 . 1 1 29 29 VAL H H 30 7.961 7.961 7.670 0.291 17489 1761 1 9 . 1 1 30 30 PRO HA H 31 4.416 4.416 4.487 -0.071 17489 1762 1 9 . 1 1 30 30 PRO C C 31 177.177 177.177 177.482 -0.305 17489 1763 1 9 . 1 1 30 30 PRO CA C 31 62.849 62.849 63.015 -0.166 17489 1764 1 9 . 1 1 31 31 SER N N 32 116.064 116.064 117.333 -1.269 17489 1765 1 9 . 1 1 31 31 SER HA H 32 4.322 4.322 4.196 0.126 17489 1766 1 9 . 1 1 31 31 SER C C 32 174.622 174.622 174.730 -0.108 17489 1767 1 9 . 1 1 31 31 SER CA C 32 59.338 59.338 60.877 -1.539 17489 1768 1 9 . 1 1 31 31 SER H H 32 8.399 8.399 8.708 -0.309 17489 1769 1 9 . 1 1 32 32 ASN N N 33 119.120 119.120 118.767 0.353 17489 1770 1 9 . 1 1 32 32 ASN HA H 33 4.705 4.705 4.768 -0.063 17489 1771 1 9 . 1 1 32 32 ASN C C 33 175.221 175.221 174.828 0.393 17489 1772 1 9 . 1 1 32 32 ASN CA C 33 52.789 52.789 53.082 -0.293 17489 1773 1 9 . 1 1 32 32 ASN H H 33 8.235 8.235 8.017 0.218 17489 1774 1 9 . 1 1 33 33 ALA N N 34 123.533 123.533 123.567 -0.034 17489 1775 1 9 . 1 1 33 33 ALA HA H 34 4.289 4.289 4.417 -0.128 17489 1776 1 9 . 1 1 33 33 ALA C C 34 178.235 178.235 177.101 1.134 17489 1777 1 9 . 1 1 33 33 ALA CA C 34 52.847 52.847 51.998 0.849 17489 1778 1 9 . 1 1 33 33 ALA H H 34 7.948 7.948 7.449 0.499 17489 1779 1 9 . 1 1 34 34 SER N N 35 115.510 115.510 118.618 -3.108 17489 1780 1 9 . 1 1 34 34 SER HA H 35 4.535 4.535 4.447 0.088 17489 1781 1 9 . 1 1 34 34 SER C C 35 175.129 175.129 175.585 -0.456 17489 1782 1 9 . 1 1 34 34 SER CA C 35 57.986 57.986 57.087 0.899 17489 1783 1 9 . 1 1 34 34 SER H H 35 8.255 8.255 8.148 0.107 17489 1784 1 9 . 1 1 35 35 TRP N N 36 123.351 123.351 124.488 -1.137 17489 1785 1 9 . 1 1 35 35 TRP HA H 36 4.313 4.313 4.316 -0.003 17489 1786 1 9 . 1 1 35 35 TRP C C 36 177.081 177.081 177.469 -0.388 17489 1787 1 9 . 1 1 35 35 TRP CA C 36 59.360 59.360 61.322 -1.962 17489 1788 1 9 . 1 1 35 35 TRP H H 36 8.083 8.083 9.127 -1.044 17489 1789 1 9 . 1 1 36 36 GLU N N 37 119.014 119.014 117.364 1.650 17489 1790 1 9 . 1 1 36 36 GLU HA H 37 3.700 3.700 3.724 -0.024 17489 1791 1 9 . 1 1 36 36 GLU C C 37 178.317 178.317 178.657 -0.340 17489 1792 1 9 . 1 1 36 36 GLU CA C 37 59.332 59.332 59.798 -0.466 17489 1793 1 9 . 1 1 36 36 GLU H H 37 8.070 8.070 8.639 -0.569 17489 1794 1 9 . 1 1 37 37 GLN N N 38 118.887 118.887 119.524 -0.637 17489 1795 1 9 . 1 1 37 37 GLN HA H 38 4.101 4.101 3.975 0.126 17489 1796 1 9 . 1 1 37 37 GLN C C 38 177.593 177.593 178.068 -0.475 17489 1797 1 9 . 1 1 37 37 GLN H H 38 7.822 7.822 7.846 -0.024 17489 1798 1 9 . 1 1 38 38 ALA N N 39 122.732 122.732 122.406 0.326 17489 1799 1 9 . 1 1 38 38 ALA HA H 39 4.056 4.056 3.937 0.119 17489 1800 1 9 . 1 1 38 38 ALA C C 39 179.122 179.122 179.713 -0.591 17489 1801 1 9 . 1 1 38 38 ALA CA C 39 54.470 54.470 55.026 -0.556 17489 1802 1 9 . 1 1 38 38 ALA H H 39 8.118 8.118 8.128 -0.010 17489 1803 1 9 . 1 1 39 39 MET N N 40 116.548 116.548 116.802 -0.254 17489 1804 1 9 . 1 1 39 39 MET HA H 40 4.116 4.116 3.740 0.376 17489 1805 1 9 . 1 1 39 39 MET C C 40 177.425 177.425 178.551 -1.126 17489 1806 1 9 . 1 1 39 39 MET CA C 40 56.856 56.856 56.856 0.000 17489 1807 1 9 . 1 1 39 39 MET H H 40 8.003 8.003 7.628 0.375 17489 1808 1 9 . 1 1 40 40 LYS N N 41 119.136 119.136 119.821 -0.685 17489 1809 1 9 . 1 1 40 40 LYS HA H 41 4.035 4.035 3.918 0.117 17489 1810 1 9 . 1 1 40 40 LYS C C 41 177.546 177.546 179.192 -1.646 17489 1811 1 9 . 1 1 40 40 LYS CA C 41 58.454 58.454 59.752 -1.298 17489 1812 1 9 . 1 1 41 41 MET N N 42 117.901 117.901 117.805 0.096 17489 1813 1 9 . 1 1 41 41 MET HA H 42 4.309 4.309 4.165 0.144 17489 1814 1 9 . 1 1 41 41 MET C C 42 177.178 177.178 178.652 -1.474 17489 1815 1 9 . 1 1 41 41 MET CA C 42 57.094 57.094 57.378 -0.284 17489 1816 1 9 . 1 1 41 41 MET H H 42 7.732 7.732 7.697 0.035 17489 1817 1 9 . 1 1 42 42 ILE N N 43 119.588 119.588 118.990 0.598 17489 1818 1 9 . 1 1 42 42 ILE HA H 43 4.054 4.054 3.676 0.378 17489 1819 1 9 . 1 1 42 42 ILE C C 43 176.560 176.560 178.992 -2.432 17489 1820 1 9 . 1 1 42 42 ILE H H 43 7.766 7.766 7.842 -0.076 17489 1821 1 9 . 1 1 43 43 ILE N N 44 120.275 120.275 119.883 0.392 17489 1822 1 9 . 1 1 43 43 ILE C C 44 176.056 176.056 177.077 -1.021 17489 1823 1 9 . 1 1 43 43 ILE H H 44 7.899 7.899 8.175 -0.276 17489 1824 1 9 . 1 1 44 44 ASN N N 45 119.135 119.135 114.989 4.146 17489 1825 1 9 . 1 1 44 44 ASN HA H 45 4.711 4.711 4.718 -0.007 17489 1826 1 9 . 1 1 44 44 ASN CA C 45 53.323 53.323 53.708 -0.385 17489 1827 1 9 . 1 1 44 44 ASN H H 45 7.900 7.900 7.799 0.101 17489 1828 1 9 . 1 1 45 45 ASP N N 46 122.730 122.730 121.380 1.350 17489 1829 1 9 . 1 1 45 45 ASP HA H 46 4.997 4.997 5.018 -0.021 17489 1830 1 9 . 1 1 45 45 ASP CA C 46 51.864 51.864 50.612 1.252 17489 1831 1 9 . 1 1 45 45 ASP H H 46 7.854 7.854 7.386 0.468 17489 1832 1 9 . 1 1 46 46 PRO HA H 47 4.420 4.420 4.203 0.217 17489 1833 1 9 . 1 1 46 46 PRO C C 47 178.053 178.053 178.683 -0.630 17489 1834 1 9 . 1 1 46 46 PRO CA C 47 64.209 64.209 64.870 -0.661 17489 1835 1 9 . 1 1 47 47 ARG N N 48 118.377 118.377 118.395 -0.018 17489 1836 1 9 . 1 1 47 47 ARG HA H 48 4.061 4.061 3.974 0.087 17489 1837 1 9 . 1 1 47 47 ARG C C 48 177.487 177.487 176.888 0.599 17489 1838 1 9 . 1 1 47 47 ARG CA C 48 57.229 57.229 58.529 -1.300 17489 1839 1 9 . 1 1 47 47 ARG H H 48 8.341 8.341 8.339 0.002 17489 1840 1 9 . 1 1 48 48 TYR N N 49 117.876 117.876 115.279 2.597 17489 1841 1 9 . 1 1 48 48 TYR HA H 49 4.604 4.604 4.869 -0.265 17489 1842 1 9 . 1 1 48 48 TYR C C 49 176.515 176.515 176.477 0.038 17489 1843 1 9 . 1 1 48 48 TYR CA C 49 58.172 58.172 57.224 0.948 17489 1844 1 9 . 1 1 48 48 TYR H H 49 7.706 7.706 8.050 -0.344 17489 1845 1 9 . 1 1 49 49 SER N N 50 115.731 115.731 118.468 -2.737 17489 1846 1 9 . 1 1 49 49 SER HA H 50 4.275 4.275 4.215 0.060 17489 1847 1 9 . 1 1 49 49 SER C C 50 175.374 175.374 176.121 -0.747 17489 1848 1 9 . 1 1 49 49 SER CA C 50 60.656 60.656 62.010 -1.353 17489 1849 1 9 . 1 1 49 49 SER H H 50 7.865 7.865 8.454 -0.589 17489 1850 1 9 . 1 1 50 50 ALA N N 51 124.648 124.648 123.892 0.756 17489 1851 1 9 . 1 1 50 50 ALA HA H 51 4.240 4.240 4.178 0.062 17489 1852 1 9 . 1 1 50 50 ALA C C 51 178.939 178.939 179.553 -0.614 17489 1853 1 9 . 1 1 50 50 ALA CA C 51 53.898 53.898 54.699 -0.801 17489 1854 1 9 . 1 1 50 50 ALA H H 51 8.236 8.236 8.437 -0.201 17489 1855 1 9 . 1 1 51 51 LEU N N 52 118.847 118.847 118.251 0.596 17489 1856 1 9 . 1 1 51 51 LEU C C 52 178.032 178.032 179.567 -1.535 17489 1857 1 9 . 1 1 51 51 LEU H H 52 7.863 7.863 7.975 -0.112 17489 1858 1 9 . 1 1 52 52 ALA N N 53 122.637 122.637 123.699 -1.062 17489 1859 1 9 . 1 1 52 52 ALA HA H 53 4.187 4.187 4.356 -0.169 17489 1860 1 9 . 1 1 52 52 ALA C C 53 178.553 178.553 178.546 0.007 17489 1861 1 9 . 1 1 52 52 ALA CA C 53 53.690 53.690 55.276 -1.586 17489 1862 1 9 . 1 1 52 52 ALA H H 53 7.812 7.812 8.709 -0.897 17489 1863 1 9 . 1 1 53 53 LYS N N 54 118.359 118.359 116.084 2.275 17489 1864 1 9 . 1 1 53 53 LYS HA H 54 4.230 4.230 4.396 -0.166 17489 1865 1 9 . 1 1 53 53 LYS C C 54 177.462 177.462 177.340 0.122 17489 1866 1 9 . 1 1 53 53 LYS CA C 54 56.909 56.909 56.217 0.692 17489 1867 1 9 . 1 1 53 53 LYS H H 54 7.829 7.829 7.950 -0.121 17489 1868 1 9 . 1 1 54 54 LEU N N 55 121.619 121.619 122.190 -0.571 17489 1869 1 9 . 1 1 54 54 LEU C C 55 177.949 177.949 177.815 0.134 17489 1870 1 9 . 1 1 54 54 LEU H H 55 7.740 7.740 7.557 0.183 17489 1871 1 9 . 1 1 55 55 SER N N 56 115.311 115.311 113.446 1.865 17489 1872 1 9 . 1 1 55 55 SER HA H 56 4.233 4.233 4.272 -0.039 17489 1873 1 9 . 1 1 55 55 SER CA C 56 59.078 59.078 61.151 -2.073 17489 1874 1 9 . 1 1 55 55 SER H H 56 7.965 7.965 8.497 -0.532 17489 1875 1 9 . 1 1 56 56 GLU N N 57 122.414 122.414 120.845 1.569 17489 1876 1 9 . 1 1 56 56 GLU CA C 57 56.682 56.682 57.483 -0.801 17489 1877 1 9 . 1 1 56 56 GLU H H 57 8.059 8.059 7.788 0.271 17489 1878 1 9 . 1 1 57 57 LYS N N 58 121.832 121.832 118.903 2.929 17489 1879 1 9 . 1 1 57 57 LYS C C 58 176.820 176.820 177.216 -0.396 17489 1880 1 9 . 1 1 57 57 LYS CA C 58 56.768 56.768 58.579 -1.811 17489 1881 1 9 . 1 1 57 57 LYS H H 58 8.097 8.097 7.890 0.207 17489 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 45 2.007 -0.786 1.867 17489 2 1 1 "Average Difference" HA 39 0.209 -0.064 0.202 17489 3 1 1 "Average Difference" C 41 0.892 0.563 0.701 17489 4 1 1 "Average Difference" CA 40 1.211 0.659 1.029 17489 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17489 6 1 1 "Average Difference" HN 44 0.344 0.010 0.347 17489 7 1 2 "Average Difference" N 45 1.813 -0.282 1.812 17489 8 1 2 "Average Difference" HA 39 0.202 -0.081 0.188 17489 9 1 2 "Average Difference" C 41 0.968 0.585 0.781 17489 10 1 2 "Average Difference" CA 40 1.210 0.662 1.027 17489 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17489 12 1 2 "Average Difference" HN 44 0.336 0.062 0.334 17489 13 1 3 "Average Difference" N 45 1.745 -0.846 1.544 17489 14 1 3 "Average Difference" HA 39 0.191 -0.060 0.183 17489 15 1 3 "Average Difference" C 41 0.954 0.605 0.747 17489 16 1 3 "Average Difference" CA 40 1.258 0.718 1.046 17489 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17489 18 1 3 "Average Difference" HN 44 0.338 -0.010 0.342 17489 19 1 4 "Average Difference" N 45 1.790 -0.926 1.549 17489 20 1 4 "Average Difference" HA 39 0.192 -0.053 0.187 17489 21 1 4 "Average Difference" C 41 0.924 0.606 0.706 17489 22 1 4 "Average Difference" CA 40 1.306 0.746 1.085 17489 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17489 24 1 4 "Average Difference" HN 44 0.348 0.000 0.352 17489 25 1 5 "Average Difference" N 45 1.771 -0.802 1.597 17489 26 1 5 "Average Difference" HA 39 0.180 -0.060 0.172 17489 27 1 5 "Average Difference" C 41 0.949 0.656 0.694 17489 28 1 5 "Average Difference" CA 40 1.310 0.782 1.064 17489 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17489 30 1 5 "Average Difference" HN 44 0.330 0.002 0.334 17489 31 1 6 "Average Difference" N 45 1.532 -0.771 1.339 17489 32 1 6 "Average Difference" HA 39 0.229 -0.084 0.216 17489 33 1 6 "Average Difference" C 41 1.008 0.632 0.795 17489 34 1 6 "Average Difference" CA 40 1.183 0.635 1.010 17489 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17489 36 1 6 "Average Difference" HN 44 0.378 0.007 0.382 17489 37 1 7 "Average Difference" N 45 1.743 -0.580 1.663 17489 38 1 7 "Average Difference" HA 39 0.181 -0.074 0.167 17489 39 1 7 "Average Difference" C 41 1.008 0.628 0.798 17489 40 1 7 "Average Difference" CA 40 1.221 0.745 0.980 17489 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17489 42 1 7 "Average Difference" HN 44 0.350 0.035 0.352 17489 43 1 8 "Average Difference" N 45 1.605 -0.662 1.479 17489 44 1 8 "Average Difference" HA 39 0.220 -0.068 0.212 17489 45 1 8 "Average Difference" C 41 0.990 0.706 0.702 17489 46 1 8 "Average Difference" CA 40 1.445 0.819 1.205 17489 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17489 48 1 8 "Average Difference" HN 44 0.377 0.051 0.377 17489 49 1 9 "Average Difference" N 45 1.879 -0.566 1.812 17489 50 1 9 "Average Difference" HA 39 0.222 -0.096 0.202 17489 51 1 9 "Average Difference" C 41 0.954 0.564 0.779 17489 52 1 9 "Average Difference" CA 40 1.083 0.615 0.902 17489 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17489 54 1 9 "Average Difference" HN 44 0.383 0.024 0.387 17489 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 17489 _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 11 11 ASN N N 12 119.980 119.980 119.530 0.450 17489 2 1 . 1 1 11 11 ASN HA H 12 4.692 4.692 4.806 -0.114 17489 3 1 . 1 1 11 11 ASN CA C 12 53.862 53.862 54.589 -0.726 17489 4 1 . 1 1 11 11 ASN H H 12 8.406 8.406 8.926 -0.520 17489 5 1 . 1 1 12 12 THR N N 13 112.320 112.320 112.563 -0.243 17489 6 1 . 1 1 12 12 THR HA H 13 4.435 4.435 4.652 -0.217 17489 7 1 . 1 1 12 12 THR C C 13 174.968 174.968 174.662 0.306 17489 8 1 . 1 1 12 12 THR CA C 13 61.114 61.114 60.728 0.386 17489 9 1 . 1 1 12 12 THR H H 13 7.868 7.868 7.820 0.048 17489 10 1 . 1 1 13 13 LYS N N 14 122.764 122.764 123.410 -0.646 17489 11 1 . 1 1 13 13 LYS HA H 14 4.220 4.220 3.952 0.268 17489 12 1 . 1 1 13 13 LYS C C 14 177.768 177.768 178.510 -0.742 17489 13 1 . 1 1 13 13 LYS CA C 14 58.108 58.108 60.412 -2.304 17489 14 1 . 1 1 13 13 LYS H H 14 9.495 9.495 8.798 0.697 17489 15 1 . 1 1 14 14 GLU N N 15 120.850 120.850 119.262 1.588 17489 16 1 . 1 1 14 14 GLU HA H 15 4.122 4.122 4.048 0.074 17489 17 1 . 1 1 14 14 GLU C C 15 177.989 177.989 178.880 -0.891 17489 18 1 . 1 1 14 14 GLU CA C 15 58.487 58.487 59.560 -1.073 17489 19 1 . 1 1 14 14 GLU H H 15 8.304 8.304 8.631 -0.327 17489 20 1 . 1 1 15 15 GLU N N 16 121.042 121.042 119.488 1.554 17489 21 1 . 1 1 15 15 GLU HA H 16 4.195 4.195 3.997 0.198 17489 22 1 . 1 1 15 15 GLU C C 16 177.809 177.809 178.558 -0.749 17489 23 1 . 1 1 15 15 GLU CA C 16 58.063 58.063 58.800 -0.737 17489 24 1 . 1 1 15 15 GLU H H 16 8.165 8.165 8.045 0.120 17489 25 1 . 1 1 16 16 ALA N N 17 123.692 123.692 122.320 1.372 17489 26 1 . 1 1 16 16 ALA HA H 17 3.857 3.857 3.685 0.172 17489 27 1 . 1 1 16 16 ALA C C 17 178.494 178.494 179.340 -0.846 17489 28 1 . 1 1 16 16 ALA CA C 17 54.016 54.016 54.989 -0.973 17489 29 1 . 1 1 16 16 ALA H H 17 7.929 7.929 7.993 -0.064 17489 30 1 . 1 1 17 17 LYS N N 18 119.118 119.118 118.284 0.834 17489 31 1 . 1 1 17 17 LYS HA H 18 4.063 4.063 3.990 0.073 17489 32 1 . 1 1 17 17 LYS C C 18 178.031 178.031 179.006 -0.975 17489 33 1 . 1 1 17 17 LYS CA C 18 58.710 58.710 59.685 -0.975 17489 34 1 . 1 1 17 17 LYS H H 18 7.962 7.962 7.956 0.006 17489 35 1 . 1 1 18 18 GLN N N 19 119.841 119.841 119.243 0.598 17489 36 1 . 1 1 18 18 GLN C C 19 176.953 176.953 178.153 -1.200 17489 37 1 . 1 1 18 18 GLN CA C 19 57.371 57.371 58.585 -1.214 17489 38 1 . 1 1 18 18 GLN H H 19 7.999 7.999 7.940 0.059 17489 39 1 . 1 1 19 19 ALA N N 20 123.397 123.397 122.269 1.128 17489 40 1 . 1 1 19 19 ALA HA H 20 4.185 4.185 4.205 -0.020 17489 41 1 . 1 1 19 19 ALA C C 20 178.456 178.456 179.464 -1.008 17489 42 1 . 1 1 19 19 ALA CA C 20 54.148 54.148 54.621 -0.473 17489 43 1 . 1 1 19 19 ALA H H 20 8.007 8.007 7.849 0.158 17489 44 1 . 1 1 20 20 PHE N N 21 119.266 119.266 118.298 0.968 17489 45 1 . 1 1 20 20 PHE HA H 21 4.327 4.327 3.996 0.331 17489 46 1 . 1 1 20 20 PHE C C 21 176.183 176.183 177.801 -1.618 17489 47 1 . 1 1 20 20 PHE CA C 21 59.670 59.670 60.656 -0.986 17489 48 1 . 1 1 20 20 PHE H H 21 8.049 8.049 8.012 0.037 17489 49 1 . 1 1 21 21 LYS N N 22 120.665 120.665 119.134 1.531 17489 50 1 . 1 1 21 21 LYS HA H 22 3.990 3.990 3.905 0.085 17489 51 1 . 1 1 21 21 LYS C C 22 178.052 178.052 179.016 -0.964 17489 52 1 . 1 1 21 21 LYS CA C 22 58.903 58.903 59.981 -1.078 17489 53 1 . 1 1 21 21 LYS H H 22 7.912 7.912 8.304 -0.392 17489 54 1 . 1 1 22 22 GLU N N 23 120.435 120.435 119.539 0.896 17489 55 1 . 1 1 22 22 GLU HA H 23 4.132 4.132 3.978 0.154 17489 56 1 . 1 1 22 22 GLU C C 23 177.367 177.367 178.813 -1.446 17489 57 1 . 1 1 22 22 GLU CA C 23 58.106 58.106 59.321 -1.215 17489 58 1 . 1 1 22 22 GLU H H 23 8.073 8.073 7.999 0.074 17489 59 1 . 1 1 23 23 ALA N N 24 123.786 123.786 122.551 1.235 17489 60 1 . 1 1 23 23 ALA HA H 24 4.099 4.099 3.730 0.369 17489 61 1 . 1 1 23 23 ALA C C 24 178.713 178.713 179.350 -0.637 17489 62 1 . 1 1 23 23 ALA CA C 24 54.248 54.248 54.598 -0.350 17489 63 1 . 1 1 23 23 ALA H H 24 8.057 8.057 7.860 0.197 17489 64 1 . 1 1 24 24 LEU N N 25 119.319 119.319 119.394 -0.075 17489 65 1 . 1 1 24 24 LEU C C 25 178.595 178.595 178.809 -0.214 17489 66 1 . 1 1 24 24 LEU H H 25 7.892 7.892 8.152 -0.260 17489 67 1 . 1 1 25 25 LYS N N 26 120.783 120.783 118.665 2.118 17489 68 1 . 1 1 25 25 LYS HA H 26 4.374 4.374 3.965 0.409 17489 69 1 . 1 1 25 25 LYS C C 26 177.655 177.655 179.585 -1.930 17489 70 1 . 1 1 25 25 LYS CA C 26 58.024 58.024 59.878 -1.854 17489 71 1 . 1 1 25 25 LYS H H 26 7.803 7.803 7.907 -0.104 17489 72 1 . 1 1 26 26 GLU N N 27 120.184 120.184 120.146 0.038 17489 73 1 . 1 1 26 26 GLU HA H 27 4.212 4.212 4.158 0.054 17489 74 1 . 1 1 26 26 GLU C C 27 176.628 176.628 178.053 -1.425 17489 75 1 . 1 1 26 26 GLU CA C 27 57.339 57.339 58.751 -1.412 17489 76 1 . 1 1 26 26 GLU H H 27 8.016 8.016 7.936 0.080 17489 77 1 . 1 1 27 27 LYS N N 28 119.854 119.854 116.496 3.358 17489 78 1 . 1 1 27 27 LYS HA H 28 4.265 4.265 4.441 -0.176 17489 79 1 . 1 1 27 27 LYS C C 28 176.019 176.019 175.785 0.234 17489 80 1 . 1 1 27 27 LYS CA C 28 55.918 55.918 54.613 1.305 17489 81 1 . 1 1 27 27 LYS H H 28 8.101 8.101 7.733 0.368 17489 82 1 . 1 1 28 28 ARG N N 29 120.694 120.694 117.380 3.314 17489 83 1 . 1 1 28 28 ARG HA H 29 4.252 4.252 3.929 0.323 17489 84 1 . 1 1 28 28 ARG C C 29 176.036 176.036 175.891 0.145 17489 85 1 . 1 1 28 28 ARG CA C 29 56.321 56.321 56.819 -0.498 17489 86 1 . 1 1 28 28 ARG H H 29 8.170 8.170 7.670 0.500 17489 87 1 . 1 1 29 29 VAL N N 30 121.196 121.196 120.507 0.689 17489 88 1 . 1 1 29 29 VAL H H 30 7.961 7.961 7.814 0.148 17489 89 1 . 1 1 30 30 PRO HA H 31 4.416 4.416 4.456 -0.040 17489 90 1 . 1 1 30 30 PRO C C 31 177.177 177.177 177.261 -0.084 17489 91 1 . 1 1 30 30 PRO CA C 31 62.849 62.849 63.013 -0.164 17489 92 1 . 1 1 31 31 SER N N 32 116.064 116.064 117.153 -1.089 17489 93 1 . 1 1 31 31 SER HA H 32 4.322 4.322 4.204 0.118 17489 94 1 . 1 1 31 31 SER C C 32 174.622 174.622 174.845 -0.223 17489 95 1 . 1 1 31 31 SER CA C 32 59.338 59.338 60.578 -1.240 17489 96 1 . 1 1 31 31 SER H H 32 8.399 8.399 8.637 -0.238 17489 97 1 . 1 1 32 32 ASN N N 33 119.120 119.120 118.347 0.773 17489 98 1 . 1 1 32 32 ASN HA H 33 4.705 4.705 4.775 -0.070 17489 99 1 . 1 1 32 32 ASN C C 33 175.221 175.221 174.740 0.481 17489 100 1 . 1 1 32 32 ASN CA C 33 52.789 52.789 53.095 -0.306 17489 101 1 . 1 1 32 32 ASN H H 33 8.235 8.235 8.047 0.188 17489 102 1 . 1 1 33 33 ALA N N 34 123.533 123.533 123.364 0.169 17489 103 1 . 1 1 33 33 ALA HA H 34 4.289 4.289 4.491 -0.202 17489 104 1 . 1 1 33 33 ALA C C 34 178.235 178.235 177.232 1.003 17489 105 1 . 1 1 33 33 ALA CA C 34 52.847 52.847 51.820 1.027 17489 106 1 . 1 1 33 33 ALA H H 34 7.948 7.948 7.436 0.512 17489 107 1 . 1 1 34 34 SER N N 35 115.510 115.510 118.884 -3.374 17489 108 1 . 1 1 34 34 SER HA H 35 4.535 4.535 4.536 -0.001 17489 109 1 . 1 1 34 34 SER C C 35 175.129 175.129 175.538 -0.409 17489 110 1 . 1 1 34 34 SER CA C 35 57.986 57.986 57.067 0.919 17489 111 1 . 1 1 34 34 SER H H 35 8.255 8.255 8.375 -0.120 17489 112 1 . 1 1 35 35 TRP N N 36 123.351 123.351 124.289 -0.938 17489 113 1 . 1 1 35 35 TRP HA H 36 4.313 4.313 4.360 -0.047 17489 114 1 . 1 1 35 35 TRP C C 36 177.081 177.081 177.552 -0.471 17489 115 1 . 1 1 35 35 TRP CA C 36 59.360 59.360 61.226 -1.866 17489 116 1 . 1 1 35 35 TRP H H 36 8.083 8.083 9.101 -1.018 17489 117 1 . 1 1 36 36 GLU N N 37 119.014 119.014 118.153 0.861 17489 118 1 . 1 1 36 36 GLU HA H 37 3.700 3.700 3.767 -0.067 17489 119 1 . 1 1 36 36 GLU C C 37 178.317 178.317 178.585 -0.268 17489 120 1 . 1 1 36 36 GLU CA C 37 59.332 59.332 59.879 -0.547 17489 121 1 . 1 1 36 36 GLU H H 37 8.070 8.070 8.685 -0.615 17489 122 1 . 1 1 37 37 GLN N N 38 118.887 118.887 119.167 -0.280 17489 123 1 . 1 1 37 37 GLN HA H 38 4.101 4.101 4.004 0.097 17489 124 1 . 1 1 37 37 GLN C C 38 177.593 177.593 178.285 -0.692 17489 125 1 . 1 1 37 37 GLN H H 38 7.822 7.822 7.735 0.087 17489 126 1 . 1 1 38 38 ALA N N 39 122.732 122.732 122.366 0.366 17489 127 1 . 1 1 38 38 ALA HA H 39 4.056 4.056 3.926 0.130 17489 128 1 . 1 1 38 38 ALA C C 39 179.122 179.122 179.484 -0.362 17489 129 1 . 1 1 38 38 ALA CA C 39 54.470 54.470 54.919 -0.449 17489 130 1 . 1 1 38 38 ALA H H 39 8.118 8.118 8.130 -0.012 17489 131 1 . 1 1 39 39 MET N N 40 116.548 116.548 117.110 -0.562 17489 132 1 . 1 1 39 39 MET HA H 40 4.116 4.116 3.884 0.232 17489 133 1 . 1 1 39 39 MET C C 40 177.425 177.425 178.320 -0.895 17489 134 1 . 1 1 39 39 MET CA C 40 56.856 56.856 57.496 -0.640 17489 135 1 . 1 1 39 39 MET H H 40 8.003 8.003 7.766 0.237 17489 136 1 . 1 1 40 40 LYS N N 41 119.136 119.136 119.327 -0.191 17489 137 1 . 1 1 40 40 LYS HA H 41 4.035 4.035 3.932 0.103 17489 138 1 . 1 1 40 40 LYS C C 41 177.546 177.546 179.154 -1.608 17489 139 1 . 1 1 40 40 LYS CA C 41 58.454 58.454 59.668 -1.214 17489 140 1 . 1 1 41 41 MET N N 42 117.901 117.901 117.070 0.831 17489 141 1 . 1 1 41 41 MET HA H 42 4.309 4.309 4.174 0.135 17489 142 1 . 1 1 41 41 MET C C 42 177.178 177.178 178.216 -1.038 17489 143 1 . 1 1 41 41 MET CA C 42 57.094 57.094 57.859 -0.765 17489 144 1 . 1 1 41 41 MET H H 42 7.732 7.732 7.763 -0.031 17489 145 1 . 1 1 42 42 ILE N N 43 119.588 119.588 116.835 2.753 17489 146 1 . 1 1 42 42 ILE HA H 43 4.054 4.054 3.980 0.074 17489 147 1 . 1 1 42 42 ILE C C 43 176.560 176.560 177.932 -1.372 17489 148 1 . 1 1 42 42 ILE H H 43 7.766 7.766 7.523 0.243 17489 149 1 . 1 1 43 43 ILE N N 44 120.275 120.275 120.246 0.029 17489 150 1 . 1 1 43 43 ILE C C 44 176.056 176.056 177.193 -1.137 17489 151 1 . 1 1 43 43 ILE H H 44 7.899 7.899 8.153 -0.254 17489 152 1 . 1 1 44 44 ASN N N 45 119.135 119.135 116.362 2.773 17489 153 1 . 1 1 44 44 ASN HA H 45 4.711 4.711 4.600 0.111 17489 154 1 . 1 1 44 44 ASN CA C 45 53.323 53.323 54.579 -1.256 17489 155 1 . 1 1 44 44 ASN H H 45 7.900 7.900 7.801 0.099 17489 156 1 . 1 1 45 45 ASP N N 46 122.730 122.730 120.435 2.295 17489 157 1 . 1 1 45 45 ASP HA H 46 4.997 4.997 5.039 -0.042 17489 158 1 . 1 1 45 45 ASP CA C 46 51.864 51.864 50.801 1.063 17489 159 1 . 1 1 45 45 ASP H H 46 7.854 7.854 7.642 0.212 17489 160 1 . 1 1 46 46 PRO HA H 47 4.420 4.420 4.236 0.184 17489 161 1 . 1 1 46 46 PRO C C 47 178.053 178.053 178.572 -0.519 17489 162 1 . 1 1 46 46 PRO CA C 47 64.209 64.209 64.728 -0.519 17489 163 1 . 1 1 47 47 ARG N N 48 118.377 118.377 118.052 0.325 17489 164 1 . 1 1 47 47 ARG HA H 48 4.061 4.061 3.972 0.089 17489 165 1 . 1 1 47 47 ARG C C 48 177.487 177.487 177.196 0.291 17489 166 1 . 1 1 47 47 ARG CA C 48 57.229 57.229 58.517 -1.288 17489 167 1 . 1 1 47 47 ARG H H 48 8.341 8.341 8.228 0.113 17489 168 1 . 1 1 48 48 TYR N N 49 117.876 117.876 116.801 1.075 17489 169 1 . 1 1 48 48 TYR HA H 49 4.604 4.604 4.816 -0.212 17489 170 1 . 1 1 48 48 TYR C C 49 176.515 176.515 175.722 0.793 17489 171 1 . 1 1 48 48 TYR CA C 49 58.172 58.172 56.012 2.160 17489 172 1 . 1 1 48 48 TYR H H 49 7.706 7.706 7.952 -0.246 17489 173 1 . 1 1 49 49 SER N N 50 115.731 115.731 117.638 -1.907 17489 174 1 . 1 1 49 49 SER HA H 50 4.275 4.275 4.144 0.131 17489 175 1 . 1 1 49 49 SER C C 50 175.374 175.374 176.026 -0.652 17489 176 1 . 1 1 49 49 SER CA C 50 60.656 60.656 61.841 -1.185 17489 177 1 . 1 1 49 49 SER H H 50 7.865 7.865 7.927 -0.062 17489 178 1 . 1 1 50 50 ALA N N 51 124.648 124.648 124.154 0.494 17489 179 1 . 1 1 50 50 ALA HA H 51 4.240 4.240 4.223 0.017 17489 180 1 . 1 1 50 50 ALA C C 51 178.939 178.939 179.507 -0.568 17489 181 1 . 1 1 50 50 ALA CA C 51 53.898 53.898 54.655 -0.757 17489 182 1 . 1 1 50 50 ALA H H 51 8.236 8.236 8.448 -0.212 17489 183 1 . 1 1 51 51 LEU N N 52 118.847 118.847 118.996 -0.149 17489 184 1 . 1 1 51 51 LEU C C 52 178.032 178.032 179.094 -1.062 17489 185 1 . 1 1 51 51 LEU H H 52 7.863 7.863 7.792 0.071 17489 186 1 . 1 1 52 52 ALA N N 53 122.637 122.637 122.745 -0.108 17489 187 1 . 1 1 52 52 ALA HA H 53 4.187 4.187 4.053 0.134 17489 188 1 . 1 1 52 52 ALA C C 53 178.553 178.553 179.635 -1.082 17489 189 1 . 1 1 52 52 ALA CA C 53 53.690 53.690 55.229 -1.539 17489 190 1 . 1 1 52 52 ALA H H 53 7.812 7.812 8.346 -0.534 17489 191 1 . 1 1 53 53 LYS N N 54 118.359 118.359 118.209 0.150 17489 192 1 . 1 1 53 53 LYS HA H 54 4.230 4.230 4.167 0.063 17489 193 1 . 1 1 53 53 LYS C C 54 177.462 177.462 178.675 -1.213 17489 194 1 . 1 1 53 53 LYS CA C 54 56.909 56.909 58.679 -1.770 17489 195 1 . 1 1 53 53 LYS H H 54 7.829 7.829 7.840 -0.011 17489 196 1 . 1 1 54 54 LEU N N 55 121.619 121.619 121.481 0.138 17489 197 1 . 1 1 54 54 LEU C C 55 177.949 177.949 178.372 -0.423 17489 198 1 . 1 1 54 54 LEU H H 55 7.740 7.740 7.987 -0.247 17489 199 1 . 1 1 55 55 SER N N 56 115.311 115.311 114.192 1.119 17489 200 1 . 1 1 55 55 SER HA H 56 4.233 4.233 4.376 -0.143 17489 201 1 . 1 1 55 55 SER CA C 56 59.078 59.078 61.238 -2.160 17489 202 1 . 1 1 55 55 SER H H 56 7.965 7.965 8.325 -0.360 17489 203 1 . 1 1 56 56 GLU N N 57 122.414 122.414 120.367 2.047 17489 204 1 . 1 1 56 56 GLU CA C 57 56.682 56.682 57.323 -0.641 17489 205 1 . 1 1 56 56 GLU H H 57 8.059 8.059 7.817 0.242 17489 206 1 . 1 1 57 57 LYS N N 58 121.832 121.832 119.030 2.802 17489 207 1 . 1 1 57 57 LYS C C 58 176.820 176.820 176.613 0.207 17489 208 1 . 1 1 57 57 LYS CA C 58 56.768 56.768 57.817 -1.049 17489 209 1 . 1 1 57 57 LYS H H 58 8.097 8.097 7.852 0.245 17489 stop_ save_