data_19382 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19382 _Entry.PDB_ID 2MB0 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 19382 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 VAL N N 2 120.711 120.711 127.730 -7.019 19382 2 1 1 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.360 -0.120 19382 3 1 1 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.166 -0.334 19382 4 1 1 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.259 1.062 19382 5 1 1 . 1 1 2 2 VAL H H 2 8.063 8.063 8.357 -0.294 19382 6 1 1 . 1 1 3 3 GLU N N 3 124.381 124.381 128.233 -3.852 19382 7 1 1 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.654 -0.222 19382 8 1 1 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.448 0.212 19382 9 1 1 . 1 1 3 3 GLU CB C 3 31.558 31.558 32.046 -0.488 19382 10 1 1 . 1 1 3 3 GLU H H 3 8.589 8.589 8.419 0.170 19382 11 1 1 . 1 1 4 4 ALA N N 4 124.910 124.910 126.281 -1.371 19382 12 1 1 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.710 -0.426 19382 13 1 1 . 1 1 4 4 ALA CA C 4 53.537 53.537 51.472 2.065 19382 14 1 1 . 1 1 4 4 ALA CB C 4 19.535 19.535 21.439 -1.904 19382 15 1 1 . 1 1 4 4 ALA H H 4 8.442 8.442 8.372 0.070 19382 16 1 1 . 1 1 5 5 ASP N N 5 119.622 119.622 126.573 -6.951 19382 17 1 1 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.497 0.145 19382 18 1 1 . 1 1 5 5 ASP CB C 5 42.674 42.674 40.454 2.220 19382 19 1 1 . 1 1 5 5 ASP H H 5 8.363 8.363 8.484 -0.121 19382 20 1 1 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.241 0.410 19382 21 1 1 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.531 0.534 19382 22 1 1 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.683 0.240 19382 23 1 1 . 1 1 8 8 GLY N N 8 110.020 110.020 110.018 0.002 19382 24 1 1 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.027 0.346 19382 25 1 1 . 1 1 8 8 GLY H H 8 8.879 8.879 8.485 0.394 19382 26 1 1 . 1 1 9 9 LYS N N 9 121.894 121.894 123.632 -1.738 19382 27 1 1 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.499 -0.362 19382 28 1 1 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.229 0.799 19382 29 1 1 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.653 0.535 19382 30 1 1 . 1 1 9 9 LYS H H 9 8.011 8.011 7.471 0.540 19382 31 1 1 . 1 1 10 10 LEU N N 10 127.289 127.289 126.295 0.994 19382 32 1 1 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.340 -0.360 19382 33 1 1 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.137 0.357 19382 34 1 1 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.676 -1.182 19382 35 1 1 . 1 1 10 10 LEU H H 10 9.536 9.536 9.122 0.414 19382 36 1 1 . 1 1 11 11 PHE N N 11 123.068 123.068 122.756 0.312 19382 37 1 1 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.856 -0.438 19382 38 1 1 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.691 1.477 19382 39 1 1 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.424 -1.218 19382 40 1 1 . 1 1 11 11 PHE H H 11 9.386 9.386 9.309 0.077 19382 41 1 1 . 1 1 12 12 ILE N N 12 127.476 127.476 126.793 0.683 19382 42 1 1 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.704 0.109 19382 43 1 1 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.690 2.101 19382 44 1 1 . 1 1 12 12 ILE H H 12 7.949 7.949 8.100 -0.151 19382 45 1 1 . 1 1 13 13 GLY N N 13 110.661 110.661 110.334 0.327 19382 46 1 1 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.432 0.318 19382 47 1 1 . 1 1 13 13 GLY H H 13 8.939 8.939 7.542 1.397 19382 48 1 1 . 1 1 14 14 GLY N N 14 107.213 107.213 111.660 -4.447 19382 49 1 1 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.787 0.989 19382 50 1 1 . 1 1 14 14 GLY H H 14 8.126 8.126 8.752 -0.626 19382 51 1 1 . 1 1 15 15 LEU N N 15 115.288 115.288 119.531 -4.243 19382 52 1 1 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.131 -0.074 19382 53 1 1 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.032 -0.393 19382 54 1 1 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.223 1.072 19382 55 1 1 . 1 1 15 15 LEU H H 15 7.621 7.621 7.777 -0.156 19382 56 1 1 . 1 1 16 16 ASN N N 16 120.674 120.674 117.737 2.937 19382 57 1 1 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.688 -0.115 19382 58 1 1 . 1 1 16 16 ASN CB C 16 38.631 38.631 40.177 -1.546 19382 59 1 1 . 1 1 16 16 ASN H H 16 9.597 9.597 8.358 1.239 19382 60 1 1 . 1 1 17 17 THR N N 17 122.538 122.538 111.226 11.312 19382 61 1 1 . 1 1 17 17 THR HA H 17 3.900 3.900 4.138 -0.238 19382 62 1 1 . 1 1 17 17 THR CA C 17 65.542 65.542 64.474 1.068 19382 63 1 1 . 1 1 17 17 THR CB C 17 68.594 68.594 69.212 -0.618 19382 64 1 1 . 1 1 17 17 THR H H 17 8.807 8.807 8.551 0.256 19382 65 1 1 . 1 1 18 18 GLU N N 18 118.149 118.149 117.993 0.156 19382 66 1 1 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.450 -0.089 19382 67 1 1 . 1 1 18 18 GLU CA C 18 56.413 56.413 56.066 0.346 19382 68 1 1 . 1 1 18 18 GLU CB C 18 29.914 29.914 28.875 1.039 19382 69 1 1 . 1 1 18 18 GLU H H 18 8.757 8.757 8.527 0.230 19382 70 1 1 . 1 1 19 19 THR N N 19 119.146 119.146 117.541 1.605 19382 71 1 1 . 1 1 19 19 THR HA H 19 4.088 4.088 4.207 -0.119 19382 72 1 1 . 1 1 19 19 THR CA C 19 64.959 64.959 64.098 0.861 19382 73 1 1 . 1 1 19 19 THR CB C 19 68.536 68.536 69.727 -1.191 19382 74 1 1 . 1 1 19 19 THR H H 19 7.627 7.627 7.368 0.259 19382 75 1 1 . 1 1 20 20 ASN N N 20 126.361 126.361 121.629 4.732 19382 76 1 1 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.843 0.073 19382 77 1 1 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.791 -0.793 19382 78 1 1 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.072 -0.718 19382 79 1 1 . 1 1 20 20 ASN H H 20 8.076 8.076 8.345 -0.269 19382 80 1 1 . 1 1 21 21 GLU N N 21 118.317 118.317 121.279 -2.962 19382 81 1 1 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.032 -0.311 19382 82 1 1 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.093 1.728 19382 83 1 1 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.547 -0.676 19382 84 1 1 . 1 1 21 21 GLU H H 21 10.233 10.233 8.744 1.489 19382 85 1 1 . 1 1 22 22 LYS N N 22 118.930 118.930 119.379 -0.449 19382 86 1 1 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.113 0.051 19382 87 1 1 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.676 0.119 19382 88 1 1 . 1 1 22 22 LYS CB C 22 31.727 31.727 31.925 -0.198 19382 89 1 1 . 1 1 22 22 LYS H H 22 7.920 7.920 8.372 -0.452 19382 90 1 1 . 1 1 23 23 ALA N N 23 123.201 123.201 121.033 2.168 19382 91 1 1 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.246 0.077 19382 92 1 1 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.538 0.483 19382 93 1 1 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.378 0.646 19382 94 1 1 . 1 1 23 23 ALA H H 23 7.915 7.915 7.536 0.379 19382 95 1 1 . 1 1 24 24 LEU N N 24 116.213 116.213 118.529 -2.316 19382 96 1 1 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.330 -0.163 19382 97 1 1 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.206 0.889 19382 98 1 1 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.357 0.101 19382 99 1 1 . 1 1 24 24 LEU H H 24 7.760 7.760 7.276 0.484 19382 100 1 1 . 1 1 25 25 GLU N N 25 119.637 119.637 118.789 0.848 19382 101 1 1 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.062 -0.299 19382 102 1 1 . 1 1 25 25 GLU CA C 25 60.215 60.215 59.019 1.196 19382 103 1 1 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.692 0.157 19382 104 1 1 . 1 1 25 25 GLU H H 25 8.545 8.545 8.699 -0.154 19382 105 1 1 . 1 1 26 26 ALA N N 26 121.001 121.001 120.489 0.512 19382 106 1 1 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.243 -0.045 19382 107 1 1 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.368 0.713 19382 108 1 1 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.924 -0.505 19382 109 1 1 . 1 1 26 26 ALA H H 26 7.975 7.975 7.491 0.484 19382 110 1 1 . 1 1 27 27 VAL N N 27 115.732 115.732 116.186 -0.454 19382 111 1 1 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.960 -0.017 19382 112 1 1 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.321 0.926 19382 113 1 1 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.849 -0.095 19382 114 1 1 . 1 1 27 27 VAL H H 27 7.817 7.817 7.490 0.327 19382 115 1 1 . 1 1 28 28 PHE N N 28 115.329 115.329 117.910 -2.581 19382 116 1 1 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.963 -0.321 19382 117 1 1 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.517 3.185 19382 118 1 1 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.393 -1.109 19382 119 1 1 . 1 1 28 28 PHE H H 28 8.607 8.607 7.776 0.831 19382 120 1 1 . 1 1 29 29 GLY N N 29 108.306 108.306 107.256 1.050 19382 121 1 1 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.618 0.787 19382 122 1 1 . 1 1 29 29 GLY H H 29 8.425 8.425 7.781 0.644 19382 123 1 1 . 1 1 30 30 LYS N N 30 117.374 117.374 118.856 -1.482 19382 124 1 1 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.071 0.025 19382 125 1 1 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.478 0.415 19382 126 1 1 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.764 0.232 19382 127 1 1 . 1 1 30 30 LYS H H 30 6.970 6.970 7.673 -0.703 19382 128 1 1 . 1 1 31 31 TYR N N 31 115.689 115.689 117.005 -1.316 19382 129 1 1 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.787 -0.492 19382 130 1 1 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.603 1.210 19382 131 1 1 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.861 -2.068 19382 132 1 1 . 1 1 31 31 TYR H H 31 7.741 7.741 7.582 0.159 19382 133 1 1 . 1 1 32 32 GLY N N 32 104.475 104.475 104.568 -0.093 19382 134 1 1 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.457 -0.861 19382 135 1 1 . 1 1 32 32 GLY H H 32 7.401 7.401 7.503 -0.102 19382 136 1 1 . 1 1 33 33 ARG N N 33 116.936 116.936 121.045 -4.109 19382 137 1 1 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.420 -0.138 19382 138 1 1 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.944 1.959 19382 139 1 1 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.098 -0.344 19382 140 1 1 . 1 1 33 33 ARG H H 33 8.286 8.286 8.494 -0.208 19382 141 1 1 . 1 1 34 34 ILE N N 34 128.703 128.703 126.405 2.298 19382 142 1 1 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.963 0.065 19382 143 1 1 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.566 -1.715 19382 144 1 1 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.616 1.321 19382 145 1 1 . 1 1 34 34 ILE H H 34 8.797 8.797 8.467 0.330 19382 146 1 1 . 1 1 35 35 VAL N N 35 122.207 122.207 123.020 -0.813 19382 147 1 1 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.300 -0.023 19382 148 1 1 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.582 -0.194 19382 149 1 1 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.981 0.073 19382 150 1 1 . 1 1 35 35 VAL H H 35 8.859 8.859 8.939 -0.080 19382 151 1 1 . 1 1 36 36 GLU N N 36 118.922 118.922 118.956 -0.034 19382 152 1 1 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.523 0.012 19382 153 1 1 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.962 0.882 19382 154 1 1 . 1 1 36 36 GLU CB C 36 34.132 34.132 32.923 1.209 19382 155 1 1 . 1 1 36 36 GLU H H 36 7.228 7.228 7.723 -0.495 19382 156 1 1 . 1 1 37 37 VAL N N 37 126.068 126.068 123.265 2.803 19382 157 1 1 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.388 0.032 19382 158 1 1 . 1 1 37 37 VAL CA C 37 62.410 62.410 60.985 1.425 19382 159 1 1 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.638 -0.730 19382 160 1 1 . 1 1 37 37 VAL H H 37 8.607 8.607 8.569 0.038 19382 161 1 1 . 1 1 38 38 LEU N N 38 129.638 129.638 125.628 4.010 19382 162 1 1 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.792 -0.000 19382 163 1 1 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.902 -0.507 19382 164 1 1 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.710 -1.172 19382 165 1 1 . 1 1 38 38 LEU H H 38 9.052 9.052 9.049 0.003 19382 166 1 1 . 1 1 39 39 LEU N N 39 128.599 128.599 123.398 5.201 19382 167 1 1 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.560 -0.160 19382 168 1 1 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.296 -0.299 19382 169 1 1 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.941 -0.710 19382 170 1 1 . 1 1 39 39 LEU H H 39 9.030 9.030 8.388 0.642 19382 171 1 1 . 1 1 40 40 MET N N 40 125.937 125.937 125.044 0.893 19382 172 1 1 . 1 1 40 40 MET HA H 40 4.595 4.595 4.688 -0.093 19382 173 1 1 . 1 1 40 40 MET CA C 40 54.617 54.617 53.346 1.271 19382 174 1 1 . 1 1 40 40 MET CB C 40 29.778 29.778 32.549 -2.771 19382 175 1 1 . 1 1 40 40 MET H H 40 7.848 7.848 8.129 -0.281 19382 176 1 1 . 1 1 41 41 LYS N N 41 122.049 122.049 120.254 1.795 19382 177 1 1 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.395 0.516 19382 178 1 1 . 1 1 41 41 LYS CA C 41 54.708 54.708 53.986 0.723 19382 179 1 1 . 1 1 41 41 LYS CB C 41 36.342 36.342 34.972 1.370 19382 180 1 1 . 1 1 41 41 LYS H H 41 8.444 8.444 8.040 0.404 19382 181 1 1 . 1 1 42 42 ASP N N 42 123.896 123.896 120.715 3.181 19382 182 1 1 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.510 0.175 19382 183 1 1 . 1 1 42 42 ASP CB C 42 43.050 43.050 42.589 0.461 19382 184 1 1 . 1 1 42 42 ASP H H 42 8.864 8.864 8.611 0.253 19382 185 1 1 . 1 1 43 43 ARG N N 43 126.892 126.892 123.169 3.723 19382 186 1 1 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.299 -0.144 19382 187 1 1 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.391 1.399 19382 188 1 1 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.413 -0.083 19382 189 1 1 . 1 1 43 43 ARG H H 43 8.983 8.983 8.636 0.347 19382 190 1 1 . 1 1 44 44 GLU N N 44 117.468 117.468 118.878 -1.410 19382 191 1 1 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.447 -0.076 19382 192 1 1 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.139 1.544 19382 193 1 1 . 1 1 44 44 GLU CB C 44 30.160 30.160 31.030 -0.871 19382 194 1 1 . 1 1 44 44 GLU H H 44 8.687 8.687 9.058 -0.371 19382 195 1 1 . 1 1 45 45 THR N N 45 107.088 107.088 109.611 -2.523 19382 196 1 1 . 1 1 45 45 THR HA H 45 4.447 4.447 4.397 0.050 19382 197 1 1 . 1 1 45 45 THR CA C 45 61.838 61.838 61.267 0.571 19382 198 1 1 . 1 1 45 45 THR CB C 45 71.163 71.163 70.480 0.683 19382 199 1 1 . 1 1 45 45 THR H H 45 8.172 8.172 7.700 0.472 19382 200 1 1 . 1 1 46 46 ASN N N 46 117.525 117.525 119.034 -1.509 19382 201 1 1 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.371 0.125 19382 202 1 1 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.896 0.131 19382 203 1 1 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.839 0.702 19382 204 1 1 . 1 1 46 46 ASN H H 46 8.389 8.389 8.098 0.291 19382 205 1 1 . 1 1 47 47 LYS N N 47 117.695 117.695 118.384 -0.689 19382 206 1 1 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.172 0.285 19382 207 1 1 . 1 1 47 47 LYS CA C 47 55.547 55.547 57.769 -2.222 19382 208 1 1 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.277 0.791 19382 209 1 1 . 1 1 47 47 LYS H H 47 7.649 7.649 7.514 0.135 19382 210 1 1 . 1 1 48 48 SER N N 48 116.260 116.260 108.878 7.382 19382 211 1 1 . 1 1 48 48 SER HA H 48 4.384 4.384 4.759 -0.375 19382 212 1 1 . 1 1 48 48 SER CA C 48 58.462 58.462 57.041 1.421 19382 213 1 1 . 1 1 48 48 SER CB C 48 64.621 64.621 64.675 -0.054 19382 214 1 1 . 1 1 48 48 SER H H 48 8.787 8.787 8.185 0.602 19382 215 1 1 . 1 1 49 49 ARG N N 49 124.026 124.026 122.944 1.082 19382 216 1 1 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.461 -0.002 19382 217 1 1 . 1 1 49 49 ARG CA C 49 56.741 56.741 55.976 0.765 19382 218 1 1 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.715 1.185 19382 219 1 1 . 1 1 49 49 ARG H H 49 9.079 9.079 8.737 0.342 19382 220 1 1 . 1 1 50 50 GLY N N 50 106.539 106.539 107.751 -1.212 19382 221 1 1 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.757 0.091 19382 222 1 1 . 1 1 50 50 GLY H H 50 9.178 9.178 8.223 0.955 19382 223 1 1 . 1 1 51 51 PHE N N 51 112.056 112.056 114.780 -2.724 19382 224 1 1 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.635 -0.339 19382 225 1 1 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.066 1.047 19382 226 1 1 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.654 -0.251 19382 227 1 1 . 1 1 51 51 PHE H H 51 7.004 7.004 7.161 -0.157 19382 228 1 1 . 1 1 52 52 ALA N N 52 120.974 120.974 119.996 0.978 19382 229 1 1 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.883 -0.044 19382 230 1 1 . 1 1 52 52 ALA CA C 52 49.666 49.666 50.980 -1.314 19382 231 1 1 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.025 3.567 19382 232 1 1 . 1 1 52 52 ALA H H 52 8.832 8.832 7.616 1.216 19382 233 1 1 . 1 1 53 53 PHE N N 53 113.680 113.680 114.990 -1.310 19382 234 1 1 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.703 -0.030 19382 235 1 1 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.967 -0.827 19382 236 1 1 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.313 -1.652 19382 237 1 1 . 1 1 53 53 PHE H H 53 8.710 8.710 7.980 0.730 19382 238 1 1 . 1 1 54 54 VAL N N 54 124.889 124.889 119.965 4.924 19382 239 1 1 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.658 0.022 19382 240 1 1 . 1 1 54 54 VAL CB C 54 35.343 35.343 36.260 -0.917 19382 241 1 1 . 1 1 54 54 VAL H H 54 8.800 8.800 8.587 0.213 19382 242 1 1 . 1 1 55 55 THR N N 55 123.052 123.052 125.675 -2.623 19382 243 1 1 . 1 1 55 55 THR HA H 55 5.159 5.159 5.396 -0.237 19382 244 1 1 . 1 1 55 55 THR CA C 55 61.912 61.912 61.547 0.365 19382 245 1 1 . 1 1 55 55 THR CB C 55 69.698 69.698 69.713 -0.015 19382 246 1 1 . 1 1 55 55 THR H H 55 8.943 8.943 9.040 -0.097 19382 247 1 1 . 1 1 56 56 PHE N N 56 128.514 128.514 126.041 2.473 19382 248 1 1 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.933 -0.118 19382 249 1 1 . 1 1 56 56 PHE CA C 56 58.294 58.294 56.989 1.304 19382 250 1 1 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.429 0.237 19382 251 1 1 . 1 1 56 56 PHE H H 56 8.917 8.917 9.392 -0.475 19382 252 1 1 . 1 1 57 57 GLU N N 57 121.809 121.809 121.468 0.341 19382 253 1 1 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.214 -0.262 19382 254 1 1 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.644 0.858 19382 255 1 1 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.432 0.119 19382 256 1 1 . 1 1 57 57 GLU H H 57 8.240 8.240 8.797 -0.557 19382 257 1 1 . 1 1 58 58 SER N N 58 112.478 112.478 112.603 -0.125 19382 258 1 1 . 1 1 58 58 SER HA H 58 5.333 5.333 4.994 0.339 19382 259 1 1 . 1 1 58 58 SER CA C 58 53.261 53.261 54.091 -0.830 19382 260 1 1 . 1 1 58 58 SER CB C 58 64.505 64.505 64.764 -0.259 19382 261 1 1 . 1 1 58 58 SER H H 58 9.461 9.461 7.661 1.800 19382 262 1 1 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.560 -0.412 19382 263 1 1 . 1 1 59 59 PRO CA C 59 65.069 65.069 64.205 0.864 19382 264 1 1 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.961 0.441 19382 265 1 1 . 1 1 60 60 ALA N N 60 120.882 120.882 120.648 0.234 19382 266 1 1 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.411 -0.313 19382 267 1 1 . 1 1 60 60 ALA CA C 60 55.355 55.355 53.131 2.224 19382 268 1 1 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.548 -1.135 19382 269 1 1 . 1 1 60 60 ALA H H 60 7.957 7.957 7.638 0.319 19382 270 1 1 . 1 1 61 61 ASP N N 61 120.196 120.196 120.314 -0.118 19382 271 1 1 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.485 -0.181 19382 272 1 1 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.119 -0.147 19382 273 1 1 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.504 -0.216 19382 274 1 1 . 1 1 61 61 ASP H H 61 7.157 7.157 7.784 -0.627 19382 275 1 1 . 1 1 62 62 ALA N N 62 119.636 119.636 121.300 -1.664 19382 276 1 1 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.709 0.558 19382 277 1 1 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.308 0.059 19382 278 1 1 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.123 0.881 19382 279 1 1 . 1 1 62 62 ALA H H 62 6.901 6.901 7.366 -0.465 19382 280 1 1 . 1 1 63 63 LYS N N 63 117.322 117.322 118.691 -1.369 19382 281 1 1 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.880 0.095 19382 282 1 1 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.453 0.185 19382 283 1 1 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.181 -0.135 19382 284 1 1 . 1 1 63 63 LYS H H 63 7.605 7.605 7.667 -0.062 19382 285 1 1 . 1 1 64 64 ASP N N 64 120.944 120.944 118.103 2.841 19382 286 1 1 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.385 -0.021 19382 287 1 1 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.512 0.983 19382 288 1 1 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.931 -0.426 19382 289 1 1 . 1 1 64 64 ASP H H 64 7.488 7.488 7.719 -0.231 19382 290 1 1 . 1 1 65 65 ALA N N 65 122.197 122.197 120.526 1.671 19382 291 1 1 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.815 -0.462 19382 292 1 1 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.198 0.285 19382 293 1 1 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.049 0.803 19382 294 1 1 . 1 1 65 65 ALA H H 65 7.806 7.806 7.151 0.655 19382 295 1 1 . 1 1 66 66 ALA N N 66 118.722 118.722 118.736 -0.014 19382 296 1 1 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.103 -0.244 19382 297 1 1 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.643 1.738 19382 298 1 1 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.501 -0.687 19382 299 1 1 . 1 1 66 66 ALA H H 66 8.247 8.247 7.819 0.428 19382 300 1 1 . 1 1 67 67 ARG N N 67 116.529 116.529 115.405 1.124 19382 301 1 1 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.345 -0.239 19382 302 1 1 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.787 2.147 19382 303 1 1 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.678 -0.526 19382 304 1 1 . 1 1 67 67 ARG H H 67 7.803 7.803 7.384 0.419 19382 305 1 1 . 1 1 68 68 ASP N N 68 116.394 116.394 118.153 -1.759 19382 306 1 1 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.711 0.021 19382 307 1 1 . 1 1 68 68 ASP CB C 68 42.683 42.683 42.913 -0.230 19382 308 1 1 . 1 1 68 68 ASP H H 68 7.800 7.800 7.892 -0.092 19382 309 1 1 . 1 1 69 69 MET N N 69 111.832 111.832 117.522 -5.690 19382 310 1 1 . 1 1 69 69 MET HA H 69 4.902 4.902 4.433 0.469 19382 311 1 1 . 1 1 69 69 MET CA C 69 53.703 53.703 54.640 -0.937 19382 312 1 1 . 1 1 69 69 MET CB C 69 32.130 32.130 32.475 -0.345 19382 313 1 1 . 1 1 69 69 MET H H 69 8.203 8.203 8.046 0.157 19382 314 1 1 . 1 1 70 70 ASN N N 70 116.507 116.507 118.362 -1.855 19382 315 1 1 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.578 -0.119 19382 316 1 1 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.727 2.246 19382 317 1 1 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.393 0.379 19382 318 1 1 . 1 1 70 70 ASN H H 70 7.724 7.724 7.684 0.039 19382 319 1 1 . 1 1 71 71 GLY N N 71 117.038 117.038 113.812 3.226 19382 320 1 1 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.515 0.430 19382 321 1 1 . 1 1 71 71 GLY H H 71 9.065 9.065 8.232 0.833 19382 322 1 1 . 1 1 72 72 LYS N N 72 120.950 120.950 120.566 0.384 19382 323 1 1 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.580 -0.145 19382 324 1 1 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.822 0.602 19382 325 1 1 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.634 -0.578 19382 326 1 1 . 1 1 72 72 LYS H H 72 7.949 7.949 7.604 0.345 19382 327 1 1 . 1 1 73 73 SER N N 73 112.847 112.847 113.286 -0.439 19382 328 1 1 . 1 1 73 73 SER HA H 73 5.076 5.076 5.136 -0.060 19382 329 1 1 . 1 1 73 73 SER CA C 73 57.821 57.821 56.685 1.136 19382 330 1 1 . 1 1 73 73 SER CB C 73 64.481 64.481 64.905 -0.424 19382 331 1 1 . 1 1 73 73 SER H H 73 8.078 8.078 8.386 -0.308 19382 332 1 1 . 1 1 74 74 LEU N N 74 127.515 127.515 123.917 3.598 19382 333 1 1 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.713 -0.122 19382 334 1 1 . 1 1 74 74 LEU CA C 74 54.810 54.810 53.847 0.963 19382 335 1 1 . 1 1 74 74 LEU CB C 74 44.722 44.722 45.418 -0.696 19382 336 1 1 . 1 1 74 74 LEU H H 74 9.069 9.069 8.938 0.131 19382 337 1 1 . 1 1 75 75 ASP N N 75 128.803 128.803 125.839 2.964 19382 338 1 1 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.285 0.056 19382 339 1 1 . 1 1 75 75 ASP CA C 75 55.686 55.686 55.293 0.393 19382 340 1 1 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.520 -1.091 19382 341 1 1 . 1 1 75 75 ASP H H 75 9.565 9.565 9.192 0.373 19382 342 1 1 . 1 1 76 76 GLY N N 76 101.959 101.959 103.076 -1.117 19382 343 1 1 . 1 1 76 76 GLY CA C 76 45.659 45.659 44.988 0.671 19382 344 1 1 . 1 1 76 76 GLY H H 76 8.447 8.447 8.371 0.076 19382 345 1 1 . 1 1 77 77 LYS N N 77 120.026 120.026 121.909 -1.883 19382 346 1 1 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.695 0.017 19382 347 1 1 . 1 1 77 77 LYS CB C 77 34.902 34.902 33.910 0.992 19382 348 1 1 . 1 1 77 77 LYS H H 77 7.417 7.417 8.040 -0.623 19382 349 1 1 . 1 1 78 78 ALA N N 78 125.190 125.190 127.952 -2.762 19382 350 1 1 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.831 -0.294 19382 351 1 1 . 1 1 78 78 ALA CA C 78 51.602 51.602 52.107 -0.505 19382 352 1 1 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.492 -1.264 19382 353 1 1 . 1 1 78 78 ALA H H 78 8.304 8.304 8.747 -0.443 19382 354 1 1 . 1 1 79 79 ILE N N 79 119.566 119.566 115.679 3.887 19382 355 1 1 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.277 -0.434 19382 356 1 1 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.776 2.001 19382 357 1 1 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.282 -1.728 19382 358 1 1 . 1 1 79 79 ILE H H 79 8.293 8.293 8.773 -0.480 19382 359 1 1 . 1 1 80 80 LYS N N 80 123.948 123.948 120.503 3.445 19382 360 1 1 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.063 -0.060 19382 361 1 1 . 1 1 80 80 LYS CA C 80 54.328 54.328 53.940 0.388 19382 362 1 1 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.345 -1.375 19382 363 1 1 . 1 1 80 80 LYS H H 80 8.552 8.552 8.689 -0.137 19382 364 1 1 . 1 1 81 81 VAL N N 81 123.950 123.950 125.169 -1.219 19382 365 1 1 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.197 0.103 19382 366 1 1 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.612 0.411 19382 367 1 1 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.313 0.388 19382 368 1 1 . 1 1 81 81 VAL H H 81 8.753 8.753 8.808 -0.055 19382 369 1 1 . 1 1 82 82 GLU N N 82 123.264 123.264 124.499 -1.235 19382 370 1 1 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.664 0.089 19382 371 1 1 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.840 1.133 19382 372 1 1 . 1 1 82 82 GLU H H 82 9.060 9.060 8.370 0.690 19382 373 1 1 . 1 1 83 83 GLN N N 83 121.972 121.972 121.603 0.369 19382 374 1 1 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.536 -0.198 19382 375 1 1 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.699 0.665 19382 376 1 1 . 1 1 83 83 GLN CB C 83 28.986 28.986 28.997 -0.011 19382 377 1 1 . 1 1 83 83 GLN H H 83 8.790 8.790 8.542 0.248 19382 378 1 1 . 1 1 84 84 ALA N N 84 129.351 129.351 129.277 0.074 19382 379 1 1 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.575 0.701 19382 380 1 1 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.232 0.630 19382 381 1 1 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.202 -0.441 19382 382 1 1 . 1 1 84 84 ALA H H 84 9.051 9.051 8.692 0.359 19382 383 1 1 . 1 1 85 85 THR HA H 85 4.767 4.767 4.519 0.248 19382 384 1 1 . 1 1 85 85 THR CB C 85 70.557 70.557 71.223 -0.666 19382 385 1 1 . 1 1 86 86 LYS N N 86 120.733 120.733 120.413 0.320 19382 386 1 1 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.541 -0.081 19382 387 1 1 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.906 0.407 19382 388 1 1 . 1 1 86 86 LYS H H 86 8.517 8.517 8.409 0.108 19382 389 1 1 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.536 -0.103 19382 390 1 1 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.741 0.355 19382 391 1 1 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.583 -0.465 19382 392 1 1 . 1 1 88 88 SER N N 88 117.293 117.293 113.828 3.465 19382 393 1 1 . 1 1 88 88 SER HA H 88 4.262 4.262 4.500 -0.238 19382 394 1 1 . 1 1 88 88 SER CA C 88 59.204 59.204 57.663 1.541 19382 395 1 1 . 1 1 88 88 SER CB C 88 63.891 63.891 63.361 0.530 19382 396 1 1 . 1 1 88 88 SER H H 88 8.508 8.508 8.471 0.037 19382 397 1 1 . 1 1 89 89 PHE N N 89 120.710 120.710 119.846 0.864 19382 398 1 1 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.969 -0.326 19382 399 1 1 . 1 1 89 89 PHE CA C 89 57.469 57.469 58.000 -0.531 19382 400 1 1 . 1 1 89 89 PHE CB C 89 39.240 39.240 39.209 0.031 19382 401 1 1 . 1 1 89 89 PHE H H 89 7.930 7.930 7.960 -0.030 19382 402 1 1 . 1 1 90 90 GLU N N 90 121.794 121.794 119.539 2.255 19382 403 1 1 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.562 -0.275 19382 404 1 1 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.606 1.095 19382 405 1 1 . 1 1 90 90 GLU CB C 90 30.383 30.383 31.804 -1.421 19382 406 1 1 . 1 1 90 90 GLU H H 90 8.099 8.099 7.575 0.524 19382 407 1 1 . 1 1 91 91 SER N N 91 116.607 116.607 116.022 0.585 19382 408 1 1 . 1 1 91 91 SER HA H 91 4.419 4.419 4.677 -0.258 19382 409 1 1 . 1 1 91 91 SER CA C 91 59.090 59.090 56.944 2.146 19382 410 1 1 . 1 1 91 91 SER CB C 91 64.011 64.011 65.839 -1.828 19382 411 1 1 . 1 1 91 91 SER H H 91 8.194 8.194 8.413 -0.219 19382 412 1 1 . 1 1 92 92 GLY N N 92 110.531 110.531 109.288 1.243 19382 413 1 1 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.034 0.459 19382 414 1 1 . 1 1 92 92 GLY H H 92 8.395 8.395 8.376 0.019 19382 415 1 1 . 1 1 93 93 ARG N N 93 120.515 120.515 121.852 -1.337 19382 416 1 1 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.528 -0.130 19382 417 1 1 . 1 1 93 93 ARG CA C 93 56.203 56.203 55.457 0.746 19382 418 1 1 . 1 1 93 93 ARG CB C 93 31.056 31.056 31.708 -0.652 19382 419 1 1 . 1 1 93 93 ARG H H 93 8.046 8.046 8.420 -0.374 19382 420 1 1 . 1 1 94 94 ARG N N 94 123.050 123.050 120.390 2.660 19382 421 1 1 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.048 0.360 19382 422 1 1 . 1 1 94 94 ARG CB C 94 31.051 31.051 29.783 1.268 19382 423 1 1 . 1 1 94 94 ARG H H 94 8.403 8.403 8.663 -0.260 19382 424 1 2 . 1 1 2 2 VAL N N 2 120.711 120.711 124.560 -3.849 19382 425 1 2 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.327 -0.087 19382 426 1 2 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.969 -1.137 19382 427 1 2 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.598 0.723 19382 428 1 2 . 1 1 2 2 VAL H H 2 8.063 8.063 8.281 -0.218 19382 429 1 2 . 1 1 3 3 GLU N N 3 124.381 124.381 123.063 1.318 19382 430 1 2 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.362 0.070 19382 431 1 2 . 1 1 3 3 GLU CA C 3 55.660 55.660 56.080 -0.420 19382 432 1 2 . 1 1 3 3 GLU CB C 3 31.558 31.558 30.739 0.819 19382 433 1 2 . 1 1 3 3 GLU H H 3 8.589 8.589 7.938 0.651 19382 434 1 2 . 1 1 4 4 ALA N N 4 124.910 124.910 127.628 -2.718 19382 435 1 2 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.553 -0.269 19382 436 1 2 . 1 1 4 4 ALA CA C 4 53.537 53.537 51.122 2.415 19382 437 1 2 . 1 1 4 4 ALA CB C 4 19.535 19.535 21.075 -1.540 19382 438 1 2 . 1 1 4 4 ALA H H 4 8.442 8.442 8.190 0.252 19382 439 1 2 . 1 1 5 5 ASP N N 5 119.622 119.622 126.176 -6.554 19382 440 1 2 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.353 0.290 19382 441 1 2 . 1 1 5 5 ASP CB C 5 42.674 42.674 41.575 1.099 19382 442 1 2 . 1 1 5 5 ASP H H 5 8.363 8.363 8.692 -0.329 19382 443 1 2 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.222 0.429 19382 444 1 2 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.708 0.358 19382 445 1 2 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.813 0.111 19382 446 1 2 . 1 1 8 8 GLY N N 8 110.020 110.020 110.617 -0.597 19382 447 1 2 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.028 0.345 19382 448 1 2 . 1 1 8 8 GLY H H 8 8.879 8.879 8.519 0.360 19382 449 1 2 . 1 1 9 9 LYS N N 9 121.894 121.894 123.637 -1.743 19382 450 1 2 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.398 -0.261 19382 451 1 2 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.481 0.547 19382 452 1 2 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.388 0.800 19382 453 1 2 . 1 1 9 9 LYS H H 9 8.011 8.011 7.703 0.308 19382 454 1 2 . 1 1 10 10 LEU N N 10 127.289 127.289 126.549 0.740 19382 455 1 2 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.272 -0.292 19382 456 1 2 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.191 0.304 19382 457 1 2 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.687 -1.193 19382 458 1 2 . 1 1 10 10 LEU H H 10 9.536 9.536 9.122 0.414 19382 459 1 2 . 1 1 11 11 PHE N N 11 123.068 123.068 123.065 0.003 19382 460 1 2 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.753 -0.335 19382 461 1 2 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.794 1.374 19382 462 1 2 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.242 -1.036 19382 463 1 2 . 1 1 11 11 PHE H H 11 9.386 9.386 9.331 0.055 19382 464 1 2 . 1 1 12 12 ILE N N 12 127.476 127.476 127.009 0.467 19382 465 1 2 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.692 0.121 19382 466 1 2 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.565 2.226 19382 467 1 2 . 1 1 12 12 ILE H H 12 7.949 7.949 8.087 -0.138 19382 468 1 2 . 1 1 13 13 GLY N N 13 110.661 110.661 110.128 0.533 19382 469 1 2 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.584 0.166 19382 470 1 2 . 1 1 13 13 GLY H H 13 8.939 8.939 7.502 1.437 19382 471 1 2 . 1 1 14 14 GLY N N 14 107.213 107.213 111.978 -4.765 19382 472 1 2 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.753 1.023 19382 473 1 2 . 1 1 14 14 GLY H H 14 8.126 8.126 8.741 -0.615 19382 474 1 2 . 1 1 15 15 LEU N N 15 115.288 115.288 119.475 -4.187 19382 475 1 2 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.135 -0.078 19382 476 1 2 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.024 -0.385 19382 477 1 2 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.244 1.051 19382 478 1 2 . 1 1 15 15 LEU H H 15 7.621 7.621 7.863 -0.242 19382 479 1 2 . 1 1 16 16 ASN N N 16 120.674 120.674 118.470 2.204 19382 480 1 2 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.688 -0.115 19382 481 1 2 . 1 1 16 16 ASN CB C 16 38.631 38.631 40.269 -1.637 19382 482 1 2 . 1 1 16 16 ASN H H 16 9.597 9.597 8.161 1.436 19382 483 1 2 . 1 1 17 17 THR N N 17 122.538 122.538 112.658 9.880 19382 484 1 2 . 1 1 17 17 THR HA H 17 3.900 3.900 4.159 -0.259 19382 485 1 2 . 1 1 17 17 THR CA C 17 65.542 65.542 64.101 1.441 19382 486 1 2 . 1 1 17 17 THR CB C 17 68.594 68.594 68.696 -0.102 19382 487 1 2 . 1 1 17 17 THR H H 17 8.807 8.807 8.626 0.181 19382 488 1 2 . 1 1 18 18 GLU N N 18 118.149 118.149 118.266 -0.117 19382 489 1 2 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.427 -0.066 19382 490 1 2 . 1 1 18 18 GLU CA C 18 56.413 56.413 56.289 0.124 19382 491 1 2 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.253 0.661 19382 492 1 2 . 1 1 18 18 GLU H H 18 8.757 8.757 8.576 0.181 19382 493 1 2 . 1 1 19 19 THR N N 19 119.146 119.146 117.682 1.464 19382 494 1 2 . 1 1 19 19 THR HA H 19 4.088 4.088 4.220 -0.132 19382 495 1 2 . 1 1 19 19 THR CA C 19 64.959 64.959 63.768 1.191 19382 496 1 2 . 1 1 19 19 THR CB C 19 68.536 68.536 69.755 -1.219 19382 497 1 2 . 1 1 19 19 THR H H 19 7.627 7.627 7.442 0.185 19382 498 1 2 . 1 1 20 20 ASN N N 20 126.361 126.361 122.683 3.678 19382 499 1 2 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.927 -0.011 19382 500 1 2 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.910 -0.912 19382 501 1 2 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.451 -1.097 19382 502 1 2 . 1 1 20 20 ASN H H 20 8.076 8.076 8.417 -0.341 19382 503 1 2 . 1 1 21 21 GLU N N 21 118.317 118.317 121.261 -2.944 19382 504 1 2 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.005 -0.284 19382 505 1 2 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.123 1.697 19382 506 1 2 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.569 -0.698 19382 507 1 2 . 1 1 21 21 GLU H H 21 10.233 10.233 8.749 1.484 19382 508 1 2 . 1 1 22 22 LYS N N 22 118.930 118.930 119.273 -0.343 19382 509 1 2 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.123 0.041 19382 510 1 2 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.550 0.244 19382 511 1 2 . 1 1 22 22 LYS CB C 22 31.727 31.727 31.957 -0.230 19382 512 1 2 . 1 1 22 22 LYS H H 22 7.920 7.920 8.356 -0.436 19382 513 1 2 . 1 1 23 23 ALA N N 23 123.201 123.201 121.294 1.907 19382 514 1 2 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.258 0.065 19382 515 1 2 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.537 0.484 19382 516 1 2 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.472 0.552 19382 517 1 2 . 1 1 23 23 ALA H H 23 7.915 7.915 7.497 0.418 19382 518 1 2 . 1 1 24 24 LEU N N 24 116.213 116.213 118.537 -2.324 19382 519 1 2 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.329 -0.162 19382 520 1 2 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.223 0.872 19382 521 1 2 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.355 0.103 19382 522 1 2 . 1 1 24 24 LEU H H 24 7.760 7.760 7.271 0.489 19382 523 1 2 . 1 1 25 25 GLU N N 25 119.637 119.637 118.752 0.885 19382 524 1 2 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.071 -0.308 19382 525 1 2 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.964 1.251 19382 526 1 2 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.686 0.163 19382 527 1 2 . 1 1 25 25 GLU H H 25 8.545 8.545 8.658 -0.113 19382 528 1 2 . 1 1 26 26 ALA N N 26 121.001 121.001 121.022 -0.021 19382 529 1 2 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.280 -0.082 19382 530 1 2 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.486 0.595 19382 531 1 2 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.882 -0.463 19382 532 1 2 . 1 1 26 26 ALA H H 26 7.975 7.975 7.509 0.466 19382 533 1 2 . 1 1 27 27 VAL N N 27 115.732 115.732 116.201 -0.469 19382 534 1 2 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.997 -0.054 19382 535 1 2 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.085 1.163 19382 536 1 2 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.541 0.213 19382 537 1 2 . 1 1 27 27 VAL H H 27 7.817 7.817 7.553 0.264 19382 538 1 2 . 1 1 28 28 PHE N N 28 115.329 115.329 118.352 -3.023 19382 539 1 2 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.957 -0.315 19382 540 1 2 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.803 2.899 19382 541 1 2 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.216 -0.932 19382 542 1 2 . 1 1 28 28 PHE H H 28 8.607 8.607 7.807 0.800 19382 543 1 2 . 1 1 29 29 GLY N N 29 108.306 108.306 107.131 1.175 19382 544 1 2 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.626 0.779 19382 545 1 2 . 1 1 29 29 GLY H H 29 8.425 8.425 7.795 0.630 19382 546 1 2 . 1 1 30 30 LYS N N 30 117.374 117.374 118.906 -1.532 19382 547 1 2 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.082 0.014 19382 548 1 2 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.451 0.442 19382 549 1 2 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.801 0.195 19382 550 1 2 . 1 1 30 30 LYS H H 30 6.970 6.970 7.621 -0.651 19382 551 1 2 . 1 1 31 31 TYR N N 31 115.689 115.689 117.089 -1.400 19382 552 1 2 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.784 -0.489 19382 553 1 2 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.691 1.122 19382 554 1 2 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.867 -2.074 19382 555 1 2 . 1 1 31 31 TYR H H 31 7.741 7.741 7.627 0.114 19382 556 1 2 . 1 1 32 32 GLY N N 32 104.475 104.475 104.521 -0.046 19382 557 1 2 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.446 -0.850 19382 558 1 2 . 1 1 32 32 GLY H H 32 7.401 7.401 7.509 -0.108 19382 559 1 2 . 1 1 33 33 ARG N N 33 116.936 116.936 120.972 -4.036 19382 560 1 2 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.421 -0.139 19382 561 1 2 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.933 1.970 19382 562 1 2 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.106 -0.352 19382 563 1 2 . 1 1 33 33 ARG H H 33 8.286 8.286 8.517 -0.231 19382 564 1 2 . 1 1 34 34 ILE N N 34 128.703 128.703 126.362 2.341 19382 565 1 2 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.968 0.060 19382 566 1 2 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.550 -1.699 19382 567 1 2 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.638 1.299 19382 568 1 2 . 1 1 34 34 ILE H H 34 8.797 8.797 8.467 0.330 19382 569 1 2 . 1 1 35 35 VAL N N 35 122.207 122.207 122.841 -0.634 19382 570 1 2 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.306 -0.029 19382 571 1 2 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.547 -0.159 19382 572 1 2 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.992 0.062 19382 573 1 2 . 1 1 35 35 VAL H H 35 8.859 8.859 8.947 -0.088 19382 574 1 2 . 1 1 36 36 GLU N N 36 118.922 118.922 119.206 -0.284 19382 575 1 2 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.526 0.009 19382 576 1 2 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.982 0.862 19382 577 1 2 . 1 1 36 36 GLU CB C 36 34.132 34.132 32.947 1.185 19382 578 1 2 . 1 1 36 36 GLU H H 36 7.228 7.228 7.652 -0.424 19382 579 1 2 . 1 1 37 37 VAL N N 37 126.068 126.068 122.974 3.094 19382 580 1 2 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.380 0.040 19382 581 1 2 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.389 1.022 19382 582 1 2 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.924 -1.016 19382 583 1 2 . 1 1 37 37 VAL H H 37 8.607 8.607 8.535 0.072 19382 584 1 2 . 1 1 38 38 LEU N N 38 129.638 129.638 125.651 3.987 19382 585 1 2 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.819 -0.027 19382 586 1 2 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.742 -0.347 19382 587 1 2 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.605 -1.067 19382 588 1 2 . 1 1 38 38 LEU H H 38 9.052 9.052 8.973 0.079 19382 589 1 2 . 1 1 39 39 LEU N N 39 128.599 128.599 123.501 5.098 19382 590 1 2 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.488 -0.088 19382 591 1 2 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.345 -0.348 19382 592 1 2 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.568 -0.336 19382 593 1 2 . 1 1 39 39 LEU H H 39 9.030 9.030 8.345 0.685 19382 594 1 2 . 1 1 40 40 MET N N 40 125.937 125.937 124.976 0.961 19382 595 1 2 . 1 1 40 40 MET HA H 40 4.595 4.595 4.688 -0.093 19382 596 1 2 . 1 1 40 40 MET CA C 40 54.617 54.617 53.213 1.404 19382 597 1 2 . 1 1 40 40 MET CB C 40 29.778 29.778 32.439 -2.661 19382 598 1 2 . 1 1 40 40 MET H H 40 7.848 7.848 8.247 -0.399 19382 599 1 2 . 1 1 41 41 LYS N N 41 122.049 122.049 121.376 0.673 19382 600 1 2 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.530 0.381 19382 601 1 2 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.533 0.175 19382 602 1 2 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.020 1.323 19382 603 1 2 . 1 1 41 41 LYS H H 41 8.444 8.444 8.250 0.194 19382 604 1 2 . 1 1 42 42 ASP N N 42 123.896 123.896 120.510 3.386 19382 605 1 2 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.529 0.156 19382 606 1 2 . 1 1 42 42 ASP CB C 42 43.050 43.050 42.302 0.748 19382 607 1 2 . 1 1 42 42 ASP H H 42 8.864 8.864 8.665 0.199 19382 608 1 2 . 1 1 43 43 ARG N N 43 126.892 126.892 124.900 1.992 19382 609 1 2 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.229 -0.074 19382 610 1 2 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.358 1.432 19382 611 1 2 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.312 0.017 19382 612 1 2 . 1 1 43 43 ARG H H 43 8.983 8.983 8.739 0.244 19382 613 1 2 . 1 1 44 44 GLU N N 44 117.468 117.468 117.174 0.294 19382 614 1 2 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.447 -0.076 19382 615 1 2 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.095 1.588 19382 616 1 2 . 1 1 44 44 GLU CB C 44 30.160 30.160 31.232 -1.072 19382 617 1 2 . 1 1 44 44 GLU H H 44 8.687 8.687 8.767 -0.080 19382 618 1 2 . 1 1 45 45 THR N N 45 107.088 107.088 109.615 -2.527 19382 619 1 2 . 1 1 45 45 THR HA H 45 4.447 4.447 4.461 -0.014 19382 620 1 2 . 1 1 45 45 THR CA C 45 61.838 61.838 61.226 0.612 19382 621 1 2 . 1 1 45 45 THR CB C 45 71.163 71.163 70.559 0.604 19382 622 1 2 . 1 1 45 45 THR H H 45 8.172 8.172 7.779 0.393 19382 623 1 2 . 1 1 46 46 ASN N N 46 117.525 117.525 119.144 -1.619 19382 624 1 2 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.376 0.120 19382 625 1 2 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.674 0.353 19382 626 1 2 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.391 1.150 19382 627 1 2 . 1 1 46 46 ASN H H 46 8.389 8.389 8.142 0.247 19382 628 1 2 . 1 1 47 47 LYS N N 47 117.695 117.695 118.317 -0.622 19382 629 1 2 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.228 0.229 19382 630 1 2 . 1 1 47 47 LYS CA C 47 55.547 55.547 57.462 -1.915 19382 631 1 2 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.296 0.772 19382 632 1 2 . 1 1 47 47 LYS H H 47 7.649 7.649 7.588 0.061 19382 633 1 2 . 1 1 48 48 SER N N 48 116.260 116.260 110.337 5.923 19382 634 1 2 . 1 1 48 48 SER HA H 48 4.384 4.384 4.728 -0.344 19382 635 1 2 . 1 1 48 48 SER CA C 48 58.462 58.462 56.625 1.837 19382 636 1 2 . 1 1 48 48 SER CB C 48 64.621 64.621 64.802 -0.181 19382 637 1 2 . 1 1 48 48 SER H H 48 8.787 8.787 8.191 0.596 19382 638 1 2 . 1 1 49 49 ARG N N 49 124.026 124.026 125.744 -1.718 19382 639 1 2 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.426 0.033 19382 640 1 2 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.090 0.651 19382 641 1 2 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.450 1.450 19382 642 1 2 . 1 1 49 49 ARG H H 49 9.079 9.079 8.705 0.374 19382 643 1 2 . 1 1 50 50 GLY N N 50 106.539 106.539 106.942 -0.403 19382 644 1 2 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.727 0.121 19382 645 1 2 . 1 1 50 50 GLY H H 50 9.178 9.178 7.982 1.196 19382 646 1 2 . 1 1 51 51 PHE N N 51 112.056 112.056 115.204 -3.148 19382 647 1 2 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.600 -0.304 19382 648 1 2 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.114 0.999 19382 649 1 2 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.726 -0.324 19382 650 1 2 . 1 1 51 51 PHE H H 51 7.004 7.004 7.256 -0.252 19382 651 1 2 . 1 1 52 52 ALA N N 52 120.974 120.974 120.427 0.547 19382 652 1 2 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.845 -0.006 19382 653 1 2 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.078 -1.411 19382 654 1 2 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.009 3.583 19382 655 1 2 . 1 1 52 52 ALA H H 52 8.832 8.832 7.550 1.282 19382 656 1 2 . 1 1 53 53 PHE N N 53 113.680 113.680 114.938 -1.258 19382 657 1 2 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.681 -0.008 19382 658 1 2 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.890 -0.750 19382 659 1 2 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.244 -1.583 19382 660 1 2 . 1 1 53 53 PHE H H 53 8.710 8.710 7.975 0.735 19382 661 1 2 . 1 1 54 54 VAL N N 54 124.889 124.889 119.749 5.140 19382 662 1 2 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.652 0.028 19382 663 1 2 . 1 1 54 54 VAL CB C 54 35.343 35.343 36.264 -0.921 19382 664 1 2 . 1 1 54 54 VAL H H 54 8.800 8.800 8.555 0.245 19382 665 1 2 . 1 1 55 55 THR N N 55 123.052 123.052 125.572 -2.520 19382 666 1 2 . 1 1 55 55 THR HA H 55 5.159 5.159 5.345 -0.186 19382 667 1 2 . 1 1 55 55 THR CA C 55 61.912 61.912 61.532 0.380 19382 668 1 2 . 1 1 55 55 THR CB C 55 69.698 69.698 69.723 -0.025 19382 669 1 2 . 1 1 55 55 THR H H 55 8.943 8.943 9.020 -0.077 19382 670 1 2 . 1 1 56 56 PHE N N 56 128.514 128.514 125.915 2.599 19382 671 1 2 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.944 -0.129 19382 672 1 2 . 1 1 56 56 PHE CA C 56 58.294 58.294 56.954 1.340 19382 673 1 2 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.566 0.100 19382 674 1 2 . 1 1 56 56 PHE H H 56 8.917 8.917 9.310 -0.393 19382 675 1 2 . 1 1 57 57 GLU N N 57 121.809 121.809 121.641 0.168 19382 676 1 2 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.221 -0.269 19382 677 1 2 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.706 0.796 19382 678 1 2 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.426 0.125 19382 679 1 2 . 1 1 57 57 GLU H H 57 8.240 8.240 8.810 -0.570 19382 680 1 2 . 1 1 58 58 SER N N 58 112.478 112.478 112.740 -0.262 19382 681 1 2 . 1 1 58 58 SER HA H 58 5.333 5.333 4.990 0.343 19382 682 1 2 . 1 1 58 58 SER CA C 58 53.261 53.261 54.124 -0.863 19382 683 1 2 . 1 1 58 58 SER CB C 58 64.505 64.505 64.742 -0.237 19382 684 1 2 . 1 1 58 58 SER H H 58 9.461 9.461 7.666 1.795 19382 685 1 2 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.596 -0.448 19382 686 1 2 . 1 1 59 59 PRO CA C 59 65.069 65.069 63.803 1.266 19382 687 1 2 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.885 0.517 19382 688 1 2 . 1 1 60 60 ALA N N 60 120.882 120.882 121.218 -0.336 19382 689 1 2 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.447 -0.349 19382 690 1 2 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.995 2.360 19382 691 1 2 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.723 -1.310 19382 692 1 2 . 1 1 60 60 ALA H H 60 7.957 7.957 7.591 0.366 19382 693 1 2 . 1 1 61 61 ASP N N 61 120.196 120.196 120.490 -0.294 19382 694 1 2 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.482 -0.178 19382 695 1 2 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.089 -0.117 19382 696 1 2 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.524 -0.236 19382 697 1 2 . 1 1 61 61 ASP H H 61 7.157 7.157 7.755 -0.598 19382 698 1 2 . 1 1 62 62 ALA N N 62 119.636 119.636 121.089 -1.453 19382 699 1 2 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.602 0.665 19382 700 1 2 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.347 0.020 19382 701 1 2 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.141 0.863 19382 702 1 2 . 1 1 62 62 ALA H H 62 6.901 6.901 7.275 -0.374 19382 703 1 2 . 1 1 63 63 LYS N N 63 117.322 117.322 117.655 -0.333 19382 704 1 2 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.891 0.084 19382 705 1 2 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.444 0.194 19382 706 1 2 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.047 -0.001 19382 707 1 2 . 1 1 63 63 LYS H H 63 7.605 7.605 7.877 -0.272 19382 708 1 2 . 1 1 64 64 ASP N N 64 120.944 120.944 117.967 2.977 19382 709 1 2 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.397 -0.033 19382 710 1 2 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.376 1.119 19382 711 1 2 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.957 -0.453 19382 712 1 2 . 1 1 64 64 ASP H H 64 7.488 7.488 7.740 -0.252 19382 713 1 2 . 1 1 65 65 ALA N N 65 122.197 122.197 120.188 2.009 19382 714 1 2 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.839 -0.486 19382 715 1 2 . 1 1 65 65 ALA CA C 65 54.483 54.483 53.947 0.536 19382 716 1 2 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.189 0.663 19382 717 1 2 . 1 1 65 65 ALA H H 65 7.806 7.806 7.088 0.718 19382 718 1 2 . 1 1 66 66 ALA N N 66 118.722 118.722 118.903 -0.181 19382 719 1 2 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.151 -0.292 19382 720 1 2 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.617 1.764 19382 721 1 2 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.589 -0.775 19382 722 1 2 . 1 1 66 66 ALA H H 66 8.247 8.247 7.803 0.444 19382 723 1 2 . 1 1 67 67 ARG N N 67 116.529 116.529 115.390 1.139 19382 724 1 2 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.396 -0.290 19382 725 1 2 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.320 2.614 19382 726 1 2 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.317 -0.165 19382 727 1 2 . 1 1 67 67 ARG H H 67 7.803 7.803 7.610 0.193 19382 728 1 2 . 1 1 68 68 ASP N N 68 116.394 116.394 117.943 -1.549 19382 729 1 2 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.719 0.013 19382 730 1 2 . 1 1 68 68 ASP CB C 68 42.683 42.683 42.768 -0.085 19382 731 1 2 . 1 1 68 68 ASP H H 68 7.800 7.800 7.983 -0.183 19382 732 1 2 . 1 1 69 69 MET N N 69 111.832 111.832 117.583 -5.751 19382 733 1 2 . 1 1 69 69 MET HA H 69 4.902 4.902 4.432 0.470 19382 734 1 2 . 1 1 69 69 MET CA C 69 53.703 53.703 54.646 -0.943 19382 735 1 2 . 1 1 69 69 MET CB C 69 32.130 32.130 32.470 -0.340 19382 736 1 2 . 1 1 69 69 MET H H 69 8.203 8.203 8.049 0.154 19382 737 1 2 . 1 1 70 70 ASN N N 70 116.507 116.507 117.874 -1.367 19382 738 1 2 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.521 -0.062 19382 739 1 2 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.679 2.294 19382 740 1 2 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.563 0.209 19382 741 1 2 . 1 1 70 70 ASN H H 70 7.724 7.724 7.641 0.083 19382 742 1 2 . 1 1 71 71 GLY N N 71 117.038 117.038 113.783 3.255 19382 743 1 2 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.558 0.387 19382 744 1 2 . 1 1 71 71 GLY H H 71 9.065 9.065 8.221 0.844 19382 745 1 2 . 1 1 72 72 LYS N N 72 120.950 120.950 120.565 0.385 19382 746 1 2 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.564 -0.129 19382 747 1 2 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.873 0.551 19382 748 1 2 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.604 -0.548 19382 749 1 2 . 1 1 72 72 LYS H H 72 7.949 7.949 7.574 0.375 19382 750 1 2 . 1 1 73 73 SER N N 73 112.847 112.847 113.342 -0.495 19382 751 1 2 . 1 1 73 73 SER HA H 73 5.076 5.076 5.141 -0.065 19382 752 1 2 . 1 1 73 73 SER CA C 73 57.821 57.821 56.673 1.148 19382 753 1 2 . 1 1 73 73 SER CB C 73 64.481 64.481 64.929 -0.448 19382 754 1 2 . 1 1 73 73 SER H H 73 8.078 8.078 8.383 -0.305 19382 755 1 2 . 1 1 74 74 LEU N N 74 127.515 127.515 124.225 3.290 19382 756 1 2 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.725 -0.134 19382 757 1 2 . 1 1 74 74 LEU CA C 74 54.810 54.810 53.666 1.144 19382 758 1 2 . 1 1 74 74 LEU CB C 74 44.722 44.722 45.166 -0.444 19382 759 1 2 . 1 1 74 74 LEU H H 74 9.069 9.069 8.778 0.291 19382 760 1 2 . 1 1 75 75 ASP N N 75 128.803 128.803 124.400 4.403 19382 761 1 2 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.246 0.095 19382 762 1 2 . 1 1 75 75 ASP CA C 75 55.686 55.686 56.191 -0.505 19382 763 1 2 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.891 -1.462 19382 764 1 2 . 1 1 75 75 ASP H H 75 9.565 9.565 9.184 0.381 19382 765 1 2 . 1 1 76 76 GLY N N 76 101.959 101.959 104.667 -2.708 19382 766 1 2 . 1 1 76 76 GLY CA C 76 45.659 45.659 44.911 0.748 19382 767 1 2 . 1 1 76 76 GLY H H 76 8.447 8.447 8.104 0.343 19382 768 1 2 . 1 1 77 77 LYS N N 77 120.026 120.026 122.264 -2.238 19382 769 1 2 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.744 -0.032 19382 770 1 2 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.530 0.372 19382 771 1 2 . 1 1 77 77 LYS H H 77 7.417 7.417 8.134 -0.717 19382 772 1 2 . 1 1 78 78 ALA N N 78 125.190 125.190 127.385 -2.195 19382 773 1 2 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.857 -0.320 19382 774 1 2 . 1 1 78 78 ALA CA C 78 51.602 51.602 51.993 -0.391 19382 775 1 2 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.466 -1.238 19382 776 1 2 . 1 1 78 78 ALA H H 78 8.304 8.304 8.698 -0.394 19382 777 1 2 . 1 1 79 79 ILE N N 79 119.566 119.566 116.028 3.538 19382 778 1 2 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.260 -0.417 19382 779 1 2 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.775 2.002 19382 780 1 2 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.149 -1.595 19382 781 1 2 . 1 1 79 79 ILE H H 79 8.293 8.293 8.734 -0.441 19382 782 1 2 . 1 1 80 80 LYS N N 80 123.948 123.948 120.724 3.224 19382 783 1 2 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.059 -0.056 19382 784 1 2 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.175 0.153 19382 785 1 2 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.333 -1.363 19382 786 1 2 . 1 1 80 80 LYS H H 80 8.552 8.552 8.715 -0.163 19382 787 1 2 . 1 1 81 81 VAL N N 81 123.950 123.950 124.455 -0.505 19382 788 1 2 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.263 0.037 19382 789 1 2 . 1 1 81 81 VAL CA C 81 61.023 61.023 61.079 -0.056 19382 790 1 2 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.701 -0.000 19382 791 1 2 . 1 1 81 81 VAL H H 81 8.753 8.753 8.708 0.045 19382 792 1 2 . 1 1 82 82 GLU N N 82 123.264 123.264 124.132 -0.868 19382 793 1 2 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.690 0.063 19382 794 1 2 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.868 1.105 19382 795 1 2 . 1 1 82 82 GLU H H 82 9.060 9.060 8.319 0.741 19382 796 1 2 . 1 1 83 83 GLN N N 83 121.972 121.972 121.835 0.137 19382 797 1 2 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.492 -0.154 19382 798 1 2 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.658 0.706 19382 799 1 2 . 1 1 83 83 GLN CB C 83 28.986 28.986 28.941 0.045 19382 800 1 2 . 1 1 83 83 GLN H H 83 8.790 8.790 8.579 0.211 19382 801 1 2 . 1 1 84 84 ALA N N 84 129.351 129.351 129.339 0.012 19382 802 1 2 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.510 0.766 19382 803 1 2 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.443 0.419 19382 804 1 2 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.403 -0.642 19382 805 1 2 . 1 1 84 84 ALA H H 84 9.051 9.051 8.856 0.195 19382 806 1 2 . 1 1 85 85 THR HA H 85 4.767 4.767 4.558 0.209 19382 807 1 2 . 1 1 85 85 THR CB C 85 70.557 70.557 71.290 -0.733 19382 808 1 2 . 1 1 86 86 LYS N N 86 120.733 120.733 121.920 -1.187 19382 809 1 2 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.446 0.014 19382 810 1 2 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.899 0.414 19382 811 1 2 . 1 1 86 86 LYS H H 86 8.517 8.517 8.438 0.079 19382 812 1 2 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.682 -0.249 19382 813 1 2 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.742 0.354 19382 814 1 2 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.750 -0.632 19382 815 1 2 . 1 1 88 88 SER N N 88 117.293 117.293 113.661 3.632 19382 816 1 2 . 1 1 88 88 SER HA H 88 4.262 4.262 4.552 -0.290 19382 817 1 2 . 1 1 88 88 SER CA C 88 59.204 59.204 58.321 0.883 19382 818 1 2 . 1 1 88 88 SER CB C 88 63.891 63.891 64.013 -0.122 19382 819 1 2 . 1 1 88 88 SER H H 88 8.508 8.508 8.409 0.099 19382 820 1 2 . 1 1 89 89 PHE N N 89 120.710 120.710 120.177 0.533 19382 821 1 2 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.785 -0.142 19382 822 1 2 . 1 1 89 89 PHE CA C 89 57.469 57.469 57.190 0.279 19382 823 1 2 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.937 0.304 19382 824 1 2 . 1 1 89 89 PHE H H 89 7.930 7.930 8.114 -0.184 19382 825 1 2 . 1 1 90 90 GLU N N 90 121.794 121.794 120.155 1.639 19382 826 1 2 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.390 -0.103 19382 827 1 2 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.086 1.615 19382 828 1 2 . 1 1 90 90 GLU CB C 90 30.383 30.383 31.131 -0.748 19382 829 1 2 . 1 1 90 90 GLU H H 90 8.099 8.099 7.825 0.274 19382 830 1 2 . 1 1 91 91 SER N N 91 116.607 116.607 113.355 3.252 19382 831 1 2 . 1 1 91 91 SER HA H 91 4.419 4.419 4.544 -0.125 19382 832 1 2 . 1 1 91 91 SER CA C 91 59.090 59.090 57.073 2.017 19382 833 1 2 . 1 1 91 91 SER CB C 91 64.011 64.011 64.243 -0.232 19382 834 1 2 . 1 1 91 91 SER H H 91 8.194 8.194 8.161 0.033 19382 835 1 2 . 1 1 92 92 GLY N N 92 110.531 110.531 109.815 0.716 19382 836 1 2 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.215 0.278 19382 837 1 2 . 1 1 92 92 GLY H H 92 8.395 8.395 8.499 -0.104 19382 838 1 2 . 1 1 93 93 ARG N N 93 120.515 120.515 123.036 -2.521 19382 839 1 2 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.420 -0.022 19382 840 1 2 . 1 1 93 93 ARG CA C 93 56.203 56.203 54.777 1.426 19382 841 1 2 . 1 1 93 93 ARG CB C 93 31.056 31.056 31.957 -0.901 19382 842 1 2 . 1 1 93 93 ARG H H 93 8.046 8.046 7.945 0.101 19382 843 1 2 . 1 1 94 94 ARG N N 94 123.050 123.050 120.330 2.720 19382 844 1 2 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.147 0.261 19382 845 1 2 . 1 1 94 94 ARG CB C 94 31.051 31.051 29.504 1.547 19382 846 1 2 . 1 1 94 94 ARG H H 94 8.403 8.403 8.747 -0.344 19382 847 1 3 . 1 1 2 2 VAL N N 2 120.711 120.711 123.893 -3.182 19382 848 1 3 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.418 -0.178 19382 849 1 3 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.221 -0.389 19382 850 1 3 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.759 0.562 19382 851 1 3 . 1 1 2 2 VAL H H 2 8.063 8.063 8.179 -0.116 19382 852 1 3 . 1 1 3 3 GLU N N 3 124.381 124.381 122.527 1.854 19382 853 1 3 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.364 0.068 19382 854 1 3 . 1 1 3 3 GLU CA C 3 55.660 55.660 56.038 -0.378 19382 855 1 3 . 1 1 3 3 GLU CB C 3 31.558 31.558 30.294 1.264 19382 856 1 3 . 1 1 3 3 GLU H H 3 8.589 8.589 7.843 0.746 19382 857 1 3 . 1 1 4 4 ALA N N 4 124.910 124.910 126.783 -1.873 19382 858 1 3 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.494 -0.210 19382 859 1 3 . 1 1 4 4 ALA CA C 4 53.537 53.537 50.794 2.743 19382 860 1 3 . 1 1 4 4 ALA CB C 4 19.535 19.535 21.368 -1.833 19382 861 1 3 . 1 1 4 4 ALA H H 4 8.442 8.442 8.087 0.355 19382 862 1 3 . 1 1 5 5 ASP N N 5 119.622 119.622 127.395 -7.773 19382 863 1 3 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.558 0.085 19382 864 1 3 . 1 1 5 5 ASP CB C 5 42.674 42.674 39.627 3.046 19382 865 1 3 . 1 1 5 5 ASP H H 5 8.363 8.363 8.534 -0.171 19382 866 1 3 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.227 0.424 19382 867 1 3 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.495 0.570 19382 868 1 3 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.854 0.070 19382 869 1 3 . 1 1 8 8 GLY N N 8 110.020 110.020 108.989 1.031 19382 870 1 3 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.053 0.320 19382 871 1 3 . 1 1 8 8 GLY H H 8 8.879 8.879 8.510 0.369 19382 872 1 3 . 1 1 9 9 LYS N N 9 121.894 121.894 123.442 -1.548 19382 873 1 3 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.556 -0.419 19382 874 1 3 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.085 0.943 19382 875 1 3 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.860 0.328 19382 876 1 3 . 1 1 9 9 LYS H H 9 8.011 8.011 7.440 0.571 19382 877 1 3 . 1 1 10 10 LEU N N 10 127.289 127.289 126.189 1.100 19382 878 1 3 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.318 -0.338 19382 879 1 3 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.142 0.352 19382 880 1 3 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.666 -1.171 19382 881 1 3 . 1 1 10 10 LEU H H 10 9.536 9.536 9.069 0.467 19382 882 1 3 . 1 1 11 11 PHE N N 11 123.068 123.068 122.990 0.078 19382 883 1 3 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.824 -0.406 19382 884 1 3 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.747 1.421 19382 885 1 3 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.373 -1.167 19382 886 1 3 . 1 1 11 11 PHE H H 11 9.386 9.386 9.308 0.078 19382 887 1 3 . 1 1 12 12 ILE N N 12 127.476 127.476 126.785 0.691 19382 888 1 3 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.687 0.126 19382 889 1 3 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.816 1.975 19382 890 1 3 . 1 1 12 12 ILE H H 12 7.949 7.949 8.034 -0.085 19382 891 1 3 . 1 1 13 13 GLY N N 13 110.661 110.661 110.521 0.140 19382 892 1 3 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.416 0.334 19382 893 1 3 . 1 1 13 13 GLY H H 13 8.939 8.939 7.611 1.328 19382 894 1 3 . 1 1 14 14 GLY N N 14 107.213 107.213 111.667 -4.454 19382 895 1 3 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.781 0.995 19382 896 1 3 . 1 1 14 14 GLY H H 14 8.126 8.126 8.668 -0.542 19382 897 1 3 . 1 1 15 15 LEU N N 15 115.288 115.288 119.583 -4.295 19382 898 1 3 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.108 -0.051 19382 899 1 3 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.155 -0.516 19382 900 1 3 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.165 1.130 19382 901 1 3 . 1 1 15 15 LEU H H 15 7.621 7.621 7.730 -0.109 19382 902 1 3 . 1 1 16 16 ASN N N 16 120.674 120.674 118.372 2.302 19382 903 1 3 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.662 -0.089 19382 904 1 3 . 1 1 16 16 ASN CB C 16 38.631 38.631 40.049 -1.418 19382 905 1 3 . 1 1 16 16 ASN H H 16 9.597 9.597 8.158 1.439 19382 906 1 3 . 1 1 17 17 THR N N 17 122.538 122.538 112.881 9.657 19382 907 1 3 . 1 1 17 17 THR HA H 17 3.900 3.900 4.269 -0.369 19382 908 1 3 . 1 1 17 17 THR CA C 17 65.542 65.542 64.033 1.509 19382 909 1 3 . 1 1 17 17 THR CB C 17 68.594 68.594 68.812 -0.218 19382 910 1 3 . 1 1 17 17 THR H H 17 8.807 8.807 8.658 0.149 19382 911 1 3 . 1 1 18 18 GLU N N 18 118.149 118.149 118.542 -0.393 19382 912 1 3 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.548 -0.187 19382 913 1 3 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.768 0.645 19382 914 1 3 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.311 0.603 19382 915 1 3 . 1 1 18 18 GLU H H 18 8.757 8.757 8.586 0.171 19382 916 1 3 . 1 1 19 19 THR N N 19 119.146 119.146 117.689 1.457 19382 917 1 3 . 1 1 19 19 THR HA H 19 4.088 4.088 4.271 -0.183 19382 918 1 3 . 1 1 19 19 THR CA C 19 64.959 64.959 64.069 0.891 19382 919 1 3 . 1 1 19 19 THR CB C 19 68.536 68.536 69.789 -1.253 19382 920 1 3 . 1 1 19 19 THR H H 19 7.627 7.627 7.372 0.255 19382 921 1 3 . 1 1 20 20 ASN N N 20 126.361 126.361 122.323 4.038 19382 922 1 3 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.930 -0.014 19382 923 1 3 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.904 -0.906 19382 924 1 3 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.418 -1.064 19382 925 1 3 . 1 1 20 20 ASN H H 20 8.076 8.076 8.346 -0.270 19382 926 1 3 . 1 1 21 21 GLU N N 21 118.317 118.317 121.411 -3.094 19382 927 1 3 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.025 -0.304 19382 928 1 3 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.168 1.652 19382 929 1 3 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.535 -0.664 19382 930 1 3 . 1 1 21 21 GLU H H 21 10.233 10.233 8.732 1.501 19382 931 1 3 . 1 1 22 22 LYS N N 22 118.930 118.930 119.311 -0.381 19382 932 1 3 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.107 0.057 19382 933 1 3 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.683 0.112 19382 934 1 3 . 1 1 22 22 LYS CB C 22 31.727 31.727 31.937 -0.210 19382 935 1 3 . 1 1 22 22 LYS H H 22 7.920 7.920 8.395 -0.475 19382 936 1 3 . 1 1 23 23 ALA N N 23 123.201 123.201 120.819 2.382 19382 937 1 3 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.276 0.047 19382 938 1 3 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.468 0.553 19382 939 1 3 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.472 0.552 19382 940 1 3 . 1 1 23 23 ALA H H 23 7.915 7.915 7.462 0.453 19382 941 1 3 . 1 1 24 24 LEU N N 24 116.213 116.213 118.569 -2.356 19382 942 1 3 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.331 -0.164 19382 943 1 3 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.147 0.948 19382 944 1 3 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.412 0.046 19382 945 1 3 . 1 1 24 24 LEU H H 24 7.760 7.760 7.269 0.491 19382 946 1 3 . 1 1 25 25 GLU N N 25 119.637 119.637 118.734 0.903 19382 947 1 3 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.080 -0.317 19382 948 1 3 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.934 1.282 19382 949 1 3 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.712 0.137 19382 950 1 3 . 1 1 25 25 GLU H H 25 8.545 8.545 8.736 -0.191 19382 951 1 3 . 1 1 26 26 ALA N N 26 121.001 121.001 120.579 0.422 19382 952 1 3 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.246 -0.048 19382 953 1 3 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.367 0.714 19382 954 1 3 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.920 -0.501 19382 955 1 3 . 1 1 26 26 ALA H H 26 7.975 7.975 7.485 0.490 19382 956 1 3 . 1 1 27 27 VAL N N 27 115.732 115.732 116.229 -0.497 19382 957 1 3 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.950 -0.007 19382 958 1 3 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.378 0.869 19382 959 1 3 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.817 -0.063 19382 960 1 3 . 1 1 27 27 VAL H H 27 7.817 7.817 7.478 0.339 19382 961 1 3 . 1 1 28 28 PHE N N 28 115.329 115.329 117.848 -2.519 19382 962 1 3 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.969 -0.327 19382 963 1 3 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.495 3.207 19382 964 1 3 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.373 -1.089 19382 965 1 3 . 1 1 28 28 PHE H H 28 8.607 8.607 7.758 0.849 19382 966 1 3 . 1 1 29 29 GLY N N 29 108.306 108.306 107.188 1.118 19382 967 1 3 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.623 0.782 19382 968 1 3 . 1 1 29 29 GLY H H 29 8.425 8.425 7.785 0.640 19382 969 1 3 . 1 1 30 30 LYS N N 30 117.374 117.374 118.901 -1.527 19382 970 1 3 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.071 0.025 19382 971 1 3 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.465 0.428 19382 972 1 3 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.765 0.231 19382 973 1 3 . 1 1 30 30 LYS H H 30 6.970 6.970 7.664 -0.694 19382 974 1 3 . 1 1 31 31 TYR N N 31 115.689 115.689 116.935 -1.246 19382 975 1 3 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.797 -0.502 19382 976 1 3 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.528 1.285 19382 977 1 3 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.923 -2.130 19382 978 1 3 . 1 1 31 31 TYR H H 31 7.741 7.741 7.576 0.165 19382 979 1 3 . 1 1 32 32 GLY N N 32 104.475 104.475 104.395 0.080 19382 980 1 3 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.502 -0.905 19382 981 1 3 . 1 1 32 32 GLY H H 32 7.401 7.401 7.548 -0.147 19382 982 1 3 . 1 1 33 33 ARG N N 33 116.936 116.936 120.664 -3.728 19382 983 1 3 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.391 -0.109 19382 984 1 3 . 1 1 33 33 ARG CA C 33 57.903 57.903 56.079 1.824 19382 985 1 3 . 1 1 33 33 ARG CB C 33 30.754 30.754 30.633 0.121 19382 986 1 3 . 1 1 33 33 ARG H H 33 8.286 8.286 8.496 -0.210 19382 987 1 3 . 1 1 34 34 ILE N N 34 128.703 128.703 125.516 3.187 19382 988 1 3 . 1 1 34 34 ILE HA H 34 4.028 4.028 4.006 0.022 19382 989 1 3 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.047 -1.196 19382 990 1 3 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.868 1.069 19382 991 1 3 . 1 1 34 34 ILE H H 34 8.797 8.797 8.490 0.307 19382 992 1 3 . 1 1 35 35 VAL N N 35 122.207 122.207 123.287 -1.080 19382 993 1 3 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.315 -0.038 19382 994 1 3 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.790 -0.402 19382 995 1 3 . 1 1 35 35 VAL CB C 35 33.054 33.054 33.194 -0.140 19382 996 1 3 . 1 1 35 35 VAL H H 35 8.859 8.859 8.759 0.100 19382 997 1 3 . 1 1 36 36 GLU N N 36 118.922 118.922 119.004 -0.082 19382 998 1 3 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.545 -0.010 19382 999 1 3 . 1 1 36 36 GLU CA C 36 56.844 56.844 56.118 0.726 19382 1000 1 3 . 1 1 36 36 GLU CB C 36 34.132 34.132 33.016 1.116 19382 1001 1 3 . 1 1 36 36 GLU H H 36 7.228 7.228 7.669 -0.441 19382 1002 1 3 . 1 1 37 37 VAL N N 37 126.068 126.068 123.118 2.950 19382 1003 1 3 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.340 0.080 19382 1004 1 3 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.011 1.399 19382 1005 1 3 . 1 1 37 37 VAL CB C 37 33.908 33.908 35.087 -1.179 19382 1006 1 3 . 1 1 37 37 VAL H H 37 8.607 8.607 8.560 0.047 19382 1007 1 3 . 1 1 38 38 LEU N N 38 129.638 129.638 125.215 4.423 19382 1008 1 3 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.796 -0.004 19382 1009 1 3 . 1 1 38 38 LEU CA C 38 53.395 53.395 54.008 -0.613 19382 1010 1 3 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.935 -1.397 19382 1011 1 3 . 1 1 38 38 LEU H H 38 9.052 9.052 8.945 0.107 19382 1012 1 3 . 1 1 39 39 LEU N N 39 128.599 128.599 123.526 5.073 19382 1013 1 3 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.559 -0.159 19382 1014 1 3 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.489 -0.492 19382 1015 1 3 . 1 1 39 39 LEU CB C 39 44.232 44.232 45.043 -0.811 19382 1016 1 3 . 1 1 39 39 LEU H H 39 9.030 9.030 8.404 0.626 19382 1017 1 3 . 1 1 40 40 MET N N 40 125.937 125.937 125.263 0.674 19382 1018 1 3 . 1 1 40 40 MET HA H 40 4.595 4.595 4.753 -0.158 19382 1019 1 3 . 1 1 40 40 MET CA C 40 54.617 54.617 53.246 1.371 19382 1020 1 3 . 1 1 40 40 MET CB C 40 29.778 29.778 32.379 -2.601 19382 1021 1 3 . 1 1 40 40 MET H H 40 7.848 7.848 8.134 -0.286 19382 1022 1 3 . 1 1 41 41 LYS N N 41 122.049 122.049 120.160 1.889 19382 1023 1 3 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.919 -0.008 19382 1024 1 3 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.643 0.065 19382 1025 1 3 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.569 0.773 19382 1026 1 3 . 1 1 41 41 LYS H H 41 8.444 8.444 8.348 0.096 19382 1027 1 3 . 1 1 42 42 ASP N N 42 123.896 123.896 121.537 2.359 19382 1028 1 3 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.570 0.115 19382 1029 1 3 . 1 1 42 42 ASP CB C 42 43.050 43.050 43.130 -0.080 19382 1030 1 3 . 1 1 42 42 ASP H H 42 8.864 8.864 8.801 0.063 19382 1031 1 3 . 1 1 43 43 ARG N N 43 126.892 126.892 120.188 6.704 19382 1032 1 3 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.515 -0.360 19382 1033 1 3 . 1 1 43 43 ARG CA C 43 58.790 58.790 56.904 1.886 19382 1034 1 3 . 1 1 43 43 ARG CB C 43 30.330 30.330 31.094 -0.764 19382 1035 1 3 . 1 1 43 43 ARG H H 43 8.983 8.983 8.552 0.431 19382 1036 1 3 . 1 1 44 44 GLU N N 44 117.468 117.468 120.184 -2.716 19382 1037 1 3 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.485 -0.114 19382 1038 1 3 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.377 1.306 19382 1039 1 3 . 1 1 44 44 GLU CB C 44 30.160 30.160 30.268 -0.108 19382 1040 1 3 . 1 1 44 44 GLU H H 44 8.687 8.687 9.200 -0.513 19382 1041 1 3 . 1 1 45 45 THR N N 45 107.088 107.088 109.520 -2.432 19382 1042 1 3 . 1 1 45 45 THR HA H 45 4.447 4.447 4.470 -0.023 19382 1043 1 3 . 1 1 45 45 THR CA C 45 61.838 61.838 61.699 0.139 19382 1044 1 3 . 1 1 45 45 THR CB C 45 71.163 71.163 70.342 0.821 19382 1045 1 3 . 1 1 45 45 THR H H 45 8.172 8.172 7.832 0.340 19382 1046 1 3 . 1 1 46 46 ASN N N 46 117.525 117.525 116.386 1.139 19382 1047 1 3 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.475 0.021 19382 1048 1 3 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.633 0.394 19382 1049 1 3 . 1 1 46 46 ASN CB C 46 38.541 38.541 38.123 0.417 19382 1050 1 3 . 1 1 46 46 ASN H H 46 8.389 8.389 8.564 -0.175 19382 1051 1 3 . 1 1 47 47 LYS N N 47 117.695 117.695 118.959 -1.264 19382 1052 1 3 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.480 -0.023 19382 1053 1 3 . 1 1 47 47 LYS CA C 47 55.547 55.547 54.765 0.782 19382 1054 1 3 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.592 0.476 19382 1055 1 3 . 1 1 47 47 LYS H H 47 7.649 7.649 7.473 0.176 19382 1056 1 3 . 1 1 48 48 SER N N 48 116.260 116.260 119.717 -3.457 19382 1057 1 3 . 1 1 48 48 SER HA H 48 4.384 4.384 4.452 -0.068 19382 1058 1 3 . 1 1 48 48 SER CA C 48 58.462 58.462 59.662 -1.200 19382 1059 1 3 . 1 1 48 48 SER CB C 48 64.621 64.621 63.428 1.193 19382 1060 1 3 . 1 1 48 48 SER H H 48 8.787 8.787 8.864 -0.077 19382 1061 1 3 . 1 1 49 49 ARG N N 49 124.026 124.026 124.839 -0.813 19382 1062 1 3 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.328 0.131 19382 1063 1 3 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.321 0.420 19382 1064 1 3 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.186 1.714 19382 1065 1 3 . 1 1 49 49 ARG H H 49 9.079 9.079 8.811 0.268 19382 1066 1 3 . 1 1 50 50 GLY N N 50 106.539 106.539 106.606 -0.067 19382 1067 1 3 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.311 0.537 19382 1068 1 3 . 1 1 50 50 GLY H H 50 9.178 9.178 8.605 0.573 19382 1069 1 3 . 1 1 51 51 PHE N N 51 112.056 112.056 115.689 -3.633 19382 1070 1 3 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.648 -0.352 19382 1071 1 3 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.030 1.083 19382 1072 1 3 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.744 -0.342 19382 1073 1 3 . 1 1 51 51 PHE H H 51 7.004 7.004 7.292 -0.288 19382 1074 1 3 . 1 1 52 52 ALA N N 52 120.974 120.974 120.338 0.636 19382 1075 1 3 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.832 0.007 19382 1076 1 3 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.095 -1.429 19382 1077 1 3 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.019 3.573 19382 1078 1 3 . 1 1 52 52 ALA H H 52 8.832 8.832 7.598 1.234 19382 1079 1 3 . 1 1 53 53 PHE N N 53 113.680 113.680 114.970 -1.290 19382 1080 1 3 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.687 -0.014 19382 1081 1 3 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.877 -0.737 19382 1082 1 3 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.239 -1.578 19382 1083 1 3 . 1 1 53 53 PHE H H 53 8.710 8.710 7.972 0.738 19382 1084 1 3 . 1 1 54 54 VAL N N 54 124.889 124.889 119.676 5.213 19382 1085 1 3 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.629 0.051 19382 1086 1 3 . 1 1 54 54 VAL CB C 54 35.343 35.343 36.019 -0.676 19382 1087 1 3 . 1 1 54 54 VAL H H 54 8.800 8.800 8.512 0.288 19382 1088 1 3 . 1 1 55 55 THR N N 55 123.052 123.052 125.338 -2.286 19382 1089 1 3 . 1 1 55 55 THR HA H 55 5.159 5.159 5.380 -0.221 19382 1090 1 3 . 1 1 55 55 THR CA C 55 61.912 61.912 61.505 0.407 19382 1091 1 3 . 1 1 55 55 THR CB C 55 69.698 69.698 69.785 -0.087 19382 1092 1 3 . 1 1 55 55 THR H H 55 8.943 8.943 8.982 -0.039 19382 1093 1 3 . 1 1 56 56 PHE N N 56 128.514 128.514 125.924 2.590 19382 1094 1 3 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.710 0.105 19382 1095 1 3 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.324 0.970 19382 1096 1 3 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.427 0.239 19382 1097 1 3 . 1 1 56 56 PHE H H 56 8.917 8.917 9.608 -0.691 19382 1098 1 3 . 1 1 57 57 GLU N N 57 121.809 121.809 121.162 0.647 19382 1099 1 3 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.220 -0.268 19382 1100 1 3 . 1 1 57 57 GLU CA C 57 59.502 59.502 57.754 1.748 19382 1101 1 3 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.359 0.192 19382 1102 1 3 . 1 1 57 57 GLU H H 57 8.240 8.240 8.411 -0.171 19382 1103 1 3 . 1 1 58 58 SER N N 58 112.478 112.478 113.122 -0.644 19382 1104 1 3 . 1 1 58 58 SER HA H 58 5.333 5.333 5.027 0.306 19382 1105 1 3 . 1 1 58 58 SER CA C 58 53.261 53.261 54.430 -1.169 19382 1106 1 3 . 1 1 58 58 SER CB C 58 64.505 64.505 64.697 -0.192 19382 1107 1 3 . 1 1 58 58 SER H H 58 9.461 9.461 7.774 1.687 19382 1108 1 3 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.509 -0.361 19382 1109 1 3 . 1 1 59 59 PRO CA C 59 65.069 65.069 64.030 1.039 19382 1110 1 3 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.931 0.471 19382 1111 1 3 . 1 1 60 60 ALA N N 60 120.882 120.882 120.451 0.431 19382 1112 1 3 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.443 -0.345 19382 1113 1 3 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.915 2.440 19382 1114 1 3 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.770 -1.357 19382 1115 1 3 . 1 1 60 60 ALA H H 60 7.957 7.957 7.617 0.340 19382 1116 1 3 . 1 1 61 61 ASP N N 61 120.196 120.196 120.554 -0.358 19382 1117 1 3 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.494 -0.190 19382 1118 1 3 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.115 -0.143 19382 1119 1 3 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.543 -0.255 19382 1120 1 3 . 1 1 61 61 ASP H H 61 7.157 7.157 7.735 -0.578 19382 1121 1 3 . 1 1 62 62 ALA N N 62 119.636 119.636 121.176 -1.540 19382 1122 1 3 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.701 0.566 19382 1123 1 3 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.374 -0.007 19382 1124 1 3 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.154 0.850 19382 1125 1 3 . 1 1 62 62 ALA H H 62 6.901 6.901 7.356 -0.455 19382 1126 1 3 . 1 1 63 63 LYS N N 63 117.322 117.322 118.687 -1.365 19382 1127 1 3 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.875 0.100 19382 1128 1 3 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.478 0.160 19382 1129 1 3 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.166 -0.120 19382 1130 1 3 . 1 1 63 63 LYS H H 63 7.605 7.605 7.719 -0.114 19382 1131 1 3 . 1 1 64 64 ASP N N 64 120.944 120.944 118.134 2.810 19382 1132 1 3 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.378 -0.014 19382 1133 1 3 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.537 0.958 19382 1134 1 3 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.921 -0.417 19382 1135 1 3 . 1 1 64 64 ASP H H 64 7.488 7.488 7.846 -0.358 19382 1136 1 3 . 1 1 65 65 ALA N N 65 122.197 122.197 120.467 1.730 19382 1137 1 3 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.776 -0.423 19382 1138 1 3 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.173 0.310 19382 1139 1 3 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.031 0.821 19382 1140 1 3 . 1 1 65 65 ALA H H 65 7.806 7.806 7.132 0.674 19382 1141 1 3 . 1 1 66 66 ALA N N 66 118.722 118.722 118.801 -0.079 19382 1142 1 3 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.095 -0.236 19382 1143 1 3 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.650 1.731 19382 1144 1 3 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.507 -0.693 19382 1145 1 3 . 1 1 66 66 ALA H H 66 8.247 8.247 7.796 0.451 19382 1146 1 3 . 1 1 67 67 ARG N N 67 116.529 116.529 115.356 1.173 19382 1147 1 3 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.334 -0.228 19382 1148 1 3 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.802 2.132 19382 1149 1 3 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.634 -0.481 19382 1150 1 3 . 1 1 67 67 ARG H H 67 7.803 7.803 7.404 0.399 19382 1151 1 3 . 1 1 68 68 ASP N N 68 116.394 116.394 118.126 -1.732 19382 1152 1 3 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.709 0.023 19382 1153 1 3 . 1 1 68 68 ASP CB C 68 42.683 42.683 42.934 -0.251 19382 1154 1 3 . 1 1 68 68 ASP H H 68 7.800 7.800 7.872 -0.072 19382 1155 1 3 . 1 1 69 69 MET N N 69 111.832 111.832 117.547 -5.715 19382 1156 1 3 . 1 1 69 69 MET HA H 69 4.902 4.902 4.435 0.467 19382 1157 1 3 . 1 1 69 69 MET CA C 69 53.703 53.703 54.650 -0.947 19382 1158 1 3 . 1 1 69 69 MET CB C 69 32.130 32.130 32.506 -0.376 19382 1159 1 3 . 1 1 69 69 MET H H 69 8.203 8.203 8.046 0.157 19382 1160 1 3 . 1 1 70 70 ASN N N 70 116.507 116.507 117.926 -1.419 19382 1161 1 3 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.576 -0.117 19382 1162 1 3 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.709 2.264 19382 1163 1 3 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.487 0.285 19382 1164 1 3 . 1 1 70 70 ASN H H 70 7.724 7.724 7.680 0.044 19382 1165 1 3 . 1 1 71 71 GLY N N 71 117.038 117.038 113.580 3.458 19382 1166 1 3 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.548 0.397 19382 1167 1 3 . 1 1 71 71 GLY H H 71 9.065 9.065 8.154 0.911 19382 1168 1 3 . 1 1 72 72 LYS N N 72 120.950 120.950 120.590 0.360 19382 1169 1 3 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.568 -0.133 19382 1170 1 3 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.859 0.565 19382 1171 1 3 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.605 -0.549 19382 1172 1 3 . 1 1 72 72 LYS H H 72 7.949 7.949 7.597 0.352 19382 1173 1 3 . 1 1 73 73 SER N N 73 112.847 112.847 113.336 -0.489 19382 1174 1 3 . 1 1 73 73 SER HA H 73 5.076 5.076 5.146 -0.070 19382 1175 1 3 . 1 1 73 73 SER CA C 73 57.821 57.821 56.672 1.149 19382 1176 1 3 . 1 1 73 73 SER CB C 73 64.481 64.481 64.916 -0.435 19382 1177 1 3 . 1 1 73 73 SER H H 73 8.078 8.078 8.384 -0.306 19382 1178 1 3 . 1 1 74 74 LEU N N 74 127.515 127.515 124.228 3.287 19382 1179 1 3 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.722 -0.131 19382 1180 1 3 . 1 1 74 74 LEU CA C 74 54.810 54.810 53.687 1.123 19382 1181 1 3 . 1 1 74 74 LEU CB C 74 44.722 44.722 45.200 -0.478 19382 1182 1 3 . 1 1 74 74 LEU H H 74 9.069 9.069 8.798 0.271 19382 1183 1 3 . 1 1 75 75 ASP N N 75 128.803 128.803 124.357 4.446 19382 1184 1 3 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.247 0.094 19382 1185 1 3 . 1 1 75 75 ASP CA C 75 55.686 55.686 56.182 -0.496 19382 1186 1 3 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.894 -1.465 19382 1187 1 3 . 1 1 75 75 ASP H H 75 9.565 9.565 9.183 0.382 19382 1188 1 3 . 1 1 76 76 GLY N N 76 101.959 101.959 104.597 -2.638 19382 1189 1 3 . 1 1 76 76 GLY CA C 76 45.659 45.659 44.917 0.742 19382 1190 1 3 . 1 1 76 76 GLY H H 76 8.447 8.447 8.098 0.349 19382 1191 1 3 . 1 1 77 77 LYS N N 77 120.026 120.026 122.223 -2.197 19382 1192 1 3 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.746 -0.034 19382 1193 1 3 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.558 0.344 19382 1194 1 3 . 1 1 77 77 LYS H H 77 7.417 7.417 8.134 -0.717 19382 1195 1 3 . 1 1 78 78 ALA N N 78 125.190 125.190 127.261 -2.071 19382 1196 1 3 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.827 -0.290 19382 1197 1 3 . 1 1 78 78 ALA CA C 78 51.602 51.602 52.115 -0.513 19382 1198 1 3 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.422 -1.194 19382 1199 1 3 . 1 1 78 78 ALA H H 78 8.304 8.304 8.692 -0.388 19382 1200 1 3 . 1 1 79 79 ILE N N 79 119.566 119.566 115.906 3.660 19382 1201 1 3 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.229 -0.386 19382 1202 1 3 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.783 1.994 19382 1203 1 3 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.093 -1.539 19382 1204 1 3 . 1 1 79 79 ILE H H 79 8.293 8.293 8.771 -0.478 19382 1205 1 3 . 1 1 80 80 LYS N N 80 123.948 123.948 120.211 3.737 19382 1206 1 3 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.064 -0.061 19382 1207 1 3 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.285 0.043 19382 1208 1 3 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.569 -1.599 19382 1209 1 3 . 1 1 80 80 LYS H H 80 8.552 8.552 8.681 -0.129 19382 1210 1 3 . 1 1 81 81 VAL N N 81 123.950 123.950 124.572 -0.622 19382 1211 1 3 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.199 0.101 19382 1212 1 3 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.771 0.252 19382 1213 1 3 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.762 -0.061 19382 1214 1 3 . 1 1 81 81 VAL H H 81 8.753 8.753 8.738 0.015 19382 1215 1 3 . 1 1 82 82 GLU N N 82 123.264 123.264 124.202 -0.938 19382 1216 1 3 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.664 0.089 19382 1217 1 3 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.614 1.359 19382 1218 1 3 . 1 1 82 82 GLU H H 82 9.060 9.060 8.438 0.622 19382 1219 1 3 . 1 1 83 83 GLN N N 83 121.972 121.972 122.417 -0.445 19382 1220 1 3 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.498 -0.160 19382 1221 1 3 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.529 0.835 19382 1222 1 3 . 1 1 83 83 GLN CB C 83 28.986 28.986 28.988 -0.002 19382 1223 1 3 . 1 1 83 83 GLN H H 83 8.790 8.790 8.464 0.326 19382 1224 1 3 . 1 1 84 84 ALA N N 84 129.351 129.351 130.261 -0.910 19382 1225 1 3 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.596 0.680 19382 1226 1 3 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.285 0.577 19382 1227 1 3 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.125 -0.364 19382 1228 1 3 . 1 1 84 84 ALA H H 84 9.051 9.051 8.736 0.315 19382 1229 1 3 . 1 1 85 85 THR HA H 85 4.767 4.767 4.441 0.326 19382 1230 1 3 . 1 1 85 85 THR CB C 85 70.557 70.557 71.293 -0.736 19382 1231 1 3 . 1 1 86 86 LYS N N 86 120.733 120.733 120.811 -0.078 19382 1232 1 3 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.364 0.096 19382 1233 1 3 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.356 0.957 19382 1234 1 3 . 1 1 86 86 LYS H H 86 8.517 8.517 8.537 -0.019 19382 1235 1 3 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.380 0.053 19382 1236 1 3 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.551 0.545 19382 1237 1 3 . 1 1 87 87 PRO CB C 87 32.118 32.118 31.852 0.266 19382 1238 1 3 . 1 1 88 88 SER N N 88 117.293 117.293 115.409 1.884 19382 1239 1 3 . 1 1 88 88 SER HA H 88 4.262 4.262 4.332 -0.070 19382 1240 1 3 . 1 1 88 88 SER CA C 88 59.204 59.204 59.478 -0.275 19382 1241 1 3 . 1 1 88 88 SER CB C 88 63.891 63.891 63.181 0.710 19382 1242 1 3 . 1 1 88 88 SER H H 88 8.508 8.508 8.410 0.098 19382 1243 1 3 . 1 1 89 89 PHE N N 89 120.710 120.710 117.579 3.131 19382 1244 1 3 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.647 -0.004 19382 1245 1 3 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.372 1.097 19382 1246 1 3 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.536 0.704 19382 1247 1 3 . 1 1 89 89 PHE H H 89 7.930 7.930 7.258 0.672 19382 1248 1 3 . 1 1 90 90 GLU N N 90 121.794 121.794 120.997 0.797 19382 1249 1 3 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.611 -0.324 19382 1250 1 3 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.675 1.026 19382 1251 1 3 . 1 1 90 90 GLU CB C 90 30.383 30.383 32.207 -1.824 19382 1252 1 3 . 1 1 90 90 GLU H H 90 8.099 8.099 7.425 0.674 19382 1253 1 3 . 1 1 91 91 SER N N 91 116.607 116.607 117.261 -0.654 19382 1254 1 3 . 1 1 91 91 SER HA H 91 4.419 4.419 4.728 -0.309 19382 1255 1 3 . 1 1 91 91 SER CA C 91 59.090 59.090 57.931 1.159 19382 1256 1 3 . 1 1 91 91 SER CB C 91 64.011 64.011 64.278 -0.267 19382 1257 1 3 . 1 1 91 91 SER H H 91 8.194 8.194 8.579 -0.385 19382 1258 1 3 . 1 1 92 92 GLY N N 92 110.531 110.531 110.032 0.499 19382 1259 1 3 . 1 1 92 92 GLY CA C 92 45.493 45.493 44.963 0.530 19382 1260 1 3 . 1 1 92 92 GLY H H 92 8.395 8.395 7.981 0.414 19382 1261 1 3 . 1 1 93 93 ARG N N 93 120.515 120.515 119.939 0.576 19382 1262 1 3 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.075 0.323 19382 1263 1 3 . 1 1 93 93 ARG CA C 93 56.203 56.203 57.307 -1.104 19382 1264 1 3 . 1 1 93 93 ARG CB C 93 31.056 31.056 30.500 0.556 19382 1265 1 3 . 1 1 93 93 ARG H H 93 8.046 8.046 8.507 -0.461 19382 1266 1 3 . 1 1 94 94 ARG N N 94 123.050 123.050 119.599 3.451 19382 1267 1 3 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.516 -0.108 19382 1268 1 3 . 1 1 94 94 ARG CB C 94 31.051 31.051 31.598 -0.547 19382 1269 1 3 . 1 1 94 94 ARG H H 94 8.403 8.403 8.666 -0.263 19382 1270 1 4 . 1 1 2 2 VAL N N 2 120.711 120.711 124.889 -4.178 19382 1271 1 4 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.353 -0.113 19382 1272 1 4 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.205 -0.373 19382 1273 1 4 . 1 1 2 2 VAL CB C 2 33.321 33.321 33.175 0.146 19382 1274 1 4 . 1 1 2 2 VAL H H 2 8.063 8.063 8.224 -0.161 19382 1275 1 4 . 1 1 3 3 GLU N N 3 124.381 124.381 127.204 -2.823 19382 1276 1 4 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.498 -0.066 19382 1277 1 4 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.354 0.306 19382 1278 1 4 . 1 1 3 3 GLU CB C 3 31.558 31.558 31.519 0.039 19382 1279 1 4 . 1 1 3 3 GLU H H 3 8.589 8.589 8.299 0.290 19382 1280 1 4 . 1 1 4 4 ALA N N 4 124.910 124.910 127.718 -2.808 19382 1281 1 4 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.709 -0.425 19382 1282 1 4 . 1 1 4 4 ALA CA C 4 53.537 53.537 51.019 2.518 19382 1283 1 4 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.272 -0.737 19382 1284 1 4 . 1 1 4 4 ALA H H 4 8.442 8.442 8.534 -0.092 19382 1285 1 4 . 1 1 5 5 ASP N N 5 119.622 119.622 124.031 -4.409 19382 1286 1 4 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.469 0.174 19382 1287 1 4 . 1 1 5 5 ASP CB C 5 42.674 42.674 41.497 1.177 19382 1288 1 4 . 1 1 5 5 ASP H H 5 8.363 8.363 8.796 -0.433 19382 1289 1 4 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.432 0.219 19382 1290 1 4 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.683 0.382 19382 1291 1 4 . 1 1 7 7 PRO CB C 7 31.924 31.924 32.153 -0.229 19382 1292 1 4 . 1 1 8 8 GLY N N 8 110.020 110.020 109.778 0.242 19382 1293 1 4 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.084 0.289 19382 1294 1 4 . 1 1 8 8 GLY H H 8 8.879 8.879 8.660 0.219 19382 1295 1 4 . 1 1 9 9 LYS N N 9 121.894 121.894 124.092 -2.198 19382 1296 1 4 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.248 -0.111 19382 1297 1 4 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.965 0.063 19382 1298 1 4 . 1 1 9 9 LYS CB C 9 35.188 35.188 33.960 1.228 19382 1299 1 4 . 1 1 9 9 LYS H H 9 8.011 8.011 7.399 0.613 19382 1300 1 4 . 1 1 10 10 LEU N N 10 127.289 127.289 126.220 1.069 19382 1301 1 4 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.269 -0.289 19382 1302 1 4 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.102 0.391 19382 1303 1 4 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.875 -1.381 19382 1304 1 4 . 1 1 10 10 LEU H H 10 9.536 9.536 9.060 0.476 19382 1305 1 4 . 1 1 11 11 PHE N N 11 123.068 123.068 123.173 -0.105 19382 1306 1 4 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.773 -0.355 19382 1307 1 4 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.820 1.348 19382 1308 1 4 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.488 -1.282 19382 1309 1 4 . 1 1 11 11 PHE H H 11 9.386 9.386 9.326 0.060 19382 1310 1 4 . 1 1 12 12 ILE N N 12 127.476 127.476 126.730 0.746 19382 1311 1 4 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.684 0.129 19382 1312 1 4 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.829 1.962 19382 1313 1 4 . 1 1 12 12 ILE H H 12 7.949 7.949 8.107 -0.158 19382 1314 1 4 . 1 1 13 13 GLY N N 13 110.661 110.661 110.440 0.221 19382 1315 1 4 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.419 0.331 19382 1316 1 4 . 1 1 13 13 GLY H H 13 8.939 8.939 7.577 1.362 19382 1317 1 4 . 1 1 14 14 GLY N N 14 107.213 107.213 111.257 -4.044 19382 1318 1 4 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.787 0.989 19382 1319 1 4 . 1 1 14 14 GLY H H 14 8.126 8.126 8.666 -0.540 19382 1320 1 4 . 1 1 15 15 LEU N N 15 115.288 115.288 119.790 -4.502 19382 1321 1 4 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.093 -0.036 19382 1322 1 4 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.099 -0.460 19382 1323 1 4 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.213 1.082 19382 1324 1 4 . 1 1 15 15 LEU H H 15 7.621 7.621 7.767 -0.146 19382 1325 1 4 . 1 1 16 16 ASN N N 16 120.674 120.674 117.747 2.927 19382 1326 1 4 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.674 -0.101 19382 1327 1 4 . 1 1 16 16 ASN CB C 16 38.631 38.631 39.629 -0.998 19382 1328 1 4 . 1 1 16 16 ASN H H 16 9.597 9.597 8.444 1.153 19382 1329 1 4 . 1 1 17 17 THR N N 17 122.538 122.538 110.778 11.760 19382 1330 1 4 . 1 1 17 17 THR HA H 17 3.900 3.900 4.260 -0.360 19382 1331 1 4 . 1 1 17 17 THR CA C 17 65.542 65.542 64.310 1.232 19382 1332 1 4 . 1 1 17 17 THR CB C 17 68.594 68.594 69.090 -0.496 19382 1333 1 4 . 1 1 17 17 THR H H 17 8.807 8.807 8.631 0.176 19382 1334 1 4 . 1 1 18 18 GLU N N 18 118.149 118.149 118.764 -0.615 19382 1335 1 4 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.539 -0.178 19382 1336 1 4 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.904 0.509 19382 1337 1 4 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.120 0.794 19382 1338 1 4 . 1 1 18 18 GLU H H 18 8.757 8.757 8.566 0.191 19382 1339 1 4 . 1 1 19 19 THR N N 19 119.146 119.146 117.882 1.264 19382 1340 1 4 . 1 1 19 19 THR HA H 19 4.088 4.088 4.284 -0.196 19382 1341 1 4 . 1 1 19 19 THR CA C 19 64.959 64.959 64.143 0.816 19382 1342 1 4 . 1 1 19 19 THR CB C 19 68.536 68.536 69.844 -1.308 19382 1343 1 4 . 1 1 19 19 THR H H 19 7.627 7.627 7.335 0.292 19382 1344 1 4 . 1 1 20 20 ASN N N 20 126.361 126.361 122.157 4.204 19382 1345 1 4 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.946 -0.030 19382 1346 1 4 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.801 -0.803 19382 1347 1 4 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.369 -1.015 19382 1348 1 4 . 1 1 20 20 ASN H H 20 8.076 8.076 8.336 -0.260 19382 1349 1 4 . 1 1 21 21 GLU N N 21 118.317 118.317 121.370 -3.053 19382 1350 1 4 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.017 -0.296 19382 1351 1 4 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.202 1.618 19382 1352 1 4 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.541 -0.670 19382 1353 1 4 . 1 1 21 21 GLU H H 21 10.233 10.233 8.728 1.505 19382 1354 1 4 . 1 1 22 22 LYS N N 22 118.930 118.930 119.310 -0.380 19382 1355 1 4 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.110 0.054 19382 1356 1 4 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.657 0.138 19382 1357 1 4 . 1 1 22 22 LYS CB C 22 31.727 31.727 31.941 -0.214 19382 1358 1 4 . 1 1 22 22 LYS H H 22 7.920 7.920 8.383 -0.463 19382 1359 1 4 . 1 1 23 23 ALA N N 23 123.201 123.201 121.129 2.072 19382 1360 1 4 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.259 0.064 19382 1361 1 4 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.544 0.477 19382 1362 1 4 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.488 0.536 19382 1363 1 4 . 1 1 23 23 ALA H H 23 7.915 7.915 7.501 0.414 19382 1364 1 4 . 1 1 24 24 LEU N N 24 116.213 116.213 118.471 -2.258 19382 1365 1 4 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.337 -0.170 19382 1366 1 4 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.139 0.956 19382 1367 1 4 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.405 0.053 19382 1368 1 4 . 1 1 24 24 LEU H H 24 7.760 7.760 7.269 0.491 19382 1369 1 4 . 1 1 25 25 GLU N N 25 119.637 119.637 118.769 0.868 19382 1370 1 4 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.076 -0.313 19382 1371 1 4 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.955 1.260 19382 1372 1 4 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.706 0.143 19382 1373 1 4 . 1 1 25 25 GLU H H 25 8.545 8.545 8.766 -0.221 19382 1374 1 4 . 1 1 26 26 ALA N N 26 121.001 121.001 120.590 0.411 19382 1375 1 4 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.256 -0.058 19382 1376 1 4 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.400 0.681 19382 1377 1 4 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.872 -0.453 19382 1378 1 4 . 1 1 26 26 ALA H H 26 7.975 7.975 7.524 0.451 19382 1379 1 4 . 1 1 27 27 VAL N N 27 115.732 115.732 116.094 -0.362 19382 1380 1 4 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.942 0.001 19382 1381 1 4 . 1 1 27 27 VAL CA C 27 65.247 65.247 63.889 1.358 19382 1382 1 4 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.580 0.174 19382 1383 1 4 . 1 1 27 27 VAL H H 27 7.817 7.817 7.495 0.322 19382 1384 1 4 . 1 1 28 28 PHE N N 28 115.329 115.329 118.061 -2.732 19382 1385 1 4 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.988 -0.346 19382 1386 1 4 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.489 3.213 19382 1387 1 4 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.236 -0.952 19382 1388 1 4 . 1 1 28 28 PHE H H 28 8.607 8.607 7.783 0.824 19382 1389 1 4 . 1 1 29 29 GLY N N 29 108.306 108.306 107.151 1.155 19382 1390 1 4 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.629 0.776 19382 1391 1 4 . 1 1 29 29 GLY H H 29 8.425 8.425 7.795 0.630 19382 1392 1 4 . 1 1 30 30 LYS N N 30 117.374 117.374 118.903 -1.529 19382 1393 1 4 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.081 0.015 19382 1394 1 4 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.434 0.459 19382 1395 1 4 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.813 0.183 19382 1396 1 4 . 1 1 30 30 LYS H H 30 6.970 6.970 7.606 -0.636 19382 1397 1 4 . 1 1 31 31 TYR N N 31 115.689 115.689 117.064 -1.375 19382 1398 1 4 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.780 -0.485 19382 1399 1 4 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.667 1.146 19382 1400 1 4 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.898 -2.105 19382 1401 1 4 . 1 1 31 31 TYR H H 31 7.741 7.741 7.594 0.147 19382 1402 1 4 . 1 1 32 32 GLY N N 32 104.475 104.475 104.551 -0.076 19382 1403 1 4 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.445 -0.849 19382 1404 1 4 . 1 1 32 32 GLY H H 32 7.401 7.401 7.507 -0.106 19382 1405 1 4 . 1 1 33 33 ARG N N 33 116.936 116.936 121.004 -4.068 19382 1406 1 4 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.412 -0.130 19382 1407 1 4 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.960 1.943 19382 1408 1 4 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.126 -0.372 19382 1409 1 4 . 1 1 33 33 ARG H H 33 8.286 8.286 8.519 -0.233 19382 1410 1 4 . 1 1 34 34 ILE N N 34 128.703 128.703 126.437 2.266 19382 1411 1 4 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.966 0.062 19382 1412 1 4 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.555 -1.704 19382 1413 1 4 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.605 1.332 19382 1414 1 4 . 1 1 34 34 ILE H H 34 8.797 8.797 8.465 0.332 19382 1415 1 4 . 1 1 35 35 VAL N N 35 122.207 122.207 123.209 -1.002 19382 1416 1 4 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.293 -0.016 19382 1417 1 4 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.613 -0.225 19382 1418 1 4 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.983 0.071 19382 1419 1 4 . 1 1 35 35 VAL H H 35 8.859 8.859 8.961 -0.102 19382 1420 1 4 . 1 1 36 36 GLU N N 36 118.922 118.922 118.907 0.015 19382 1421 1 4 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.548 -0.013 19382 1422 1 4 . 1 1 36 36 GLU CA C 36 56.844 56.844 56.063 0.781 19382 1423 1 4 . 1 1 36 36 GLU CB C 36 34.132 34.132 33.020 1.112 19382 1424 1 4 . 1 1 36 36 GLU H H 36 7.228 7.228 7.679 -0.451 19382 1425 1 4 . 1 1 37 37 VAL N N 37 126.068 126.068 123.068 3.000 19382 1426 1 4 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.370 0.050 19382 1427 1 4 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.003 1.407 19382 1428 1 4 . 1 1 37 37 VAL CB C 37 33.908 33.908 35.124 -1.216 19382 1429 1 4 . 1 1 37 37 VAL H H 37 8.607 8.607 8.564 0.043 19382 1430 1 4 . 1 1 38 38 LEU N N 38 129.638 129.638 125.362 4.276 19382 1431 1 4 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.796 -0.004 19382 1432 1 4 . 1 1 38 38 LEU CA C 38 53.395 53.395 54.011 -0.616 19382 1433 1 4 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.797 -1.259 19382 1434 1 4 . 1 1 38 38 LEU H H 38 9.052 9.052 8.973 0.079 19382 1435 1 4 . 1 1 39 39 LEU N N 39 128.599 128.599 123.534 5.065 19382 1436 1 4 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.544 -0.144 19382 1437 1 4 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.514 -0.517 19382 1438 1 4 . 1 1 39 39 LEU CB C 39 44.232 44.232 45.095 -0.863 19382 1439 1 4 . 1 1 39 39 LEU H H 39 9.030 9.030 8.386 0.644 19382 1440 1 4 . 1 1 40 40 MET N N 40 125.937 125.937 125.112 0.825 19382 1441 1 4 . 1 1 40 40 MET HA H 40 4.595 4.595 4.750 -0.155 19382 1442 1 4 . 1 1 40 40 MET CA C 40 54.617 54.617 53.176 1.441 19382 1443 1 4 . 1 1 40 40 MET CB C 40 29.778 29.778 32.468 -2.690 19382 1444 1 4 . 1 1 40 40 MET H H 40 7.848 7.848 8.151 -0.303 19382 1445 1 4 . 1 1 41 41 LYS N N 41 122.049 122.049 119.632 2.417 19382 1446 1 4 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.929 -0.018 19382 1447 1 4 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.604 0.104 19382 1448 1 4 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.850 0.492 19382 1449 1 4 . 1 1 41 41 LYS H H 41 8.444 8.444 8.190 0.254 19382 1450 1 4 . 1 1 42 42 ASP N N 42 123.896 123.896 121.199 2.697 19382 1451 1 4 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.534 0.151 19382 1452 1 4 . 1 1 42 42 ASP CB C 42 43.050 43.050 42.613 0.437 19382 1453 1 4 . 1 1 42 42 ASP H H 42 8.864 8.864 8.840 0.024 19382 1454 1 4 . 1 1 43 43 ARG N N 43 126.892 126.892 121.180 5.712 19382 1455 1 4 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.461 -0.306 19382 1456 1 4 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.260 1.530 19382 1457 1 4 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.728 -0.398 19382 1458 1 4 . 1 1 43 43 ARG H H 43 8.983 8.983 8.622 0.361 19382 1459 1 4 . 1 1 44 44 GLU N N 44 117.468 117.468 119.439 -1.971 19382 1460 1 4 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.457 -0.086 19382 1461 1 4 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.210 1.473 19382 1462 1 4 . 1 1 44 44 GLU CB C 44 30.160 30.160 30.974 -0.814 19382 1463 1 4 . 1 1 44 44 GLU H H 44 8.687 8.687 9.125 -0.438 19382 1464 1 4 . 1 1 45 45 THR N N 45 107.088 107.088 110.054 -2.966 19382 1465 1 4 . 1 1 45 45 THR HA H 45 4.447 4.447 4.465 -0.018 19382 1466 1 4 . 1 1 45 45 THR CA C 45 61.838 61.838 61.120 0.718 19382 1467 1 4 . 1 1 45 45 THR CB C 45 71.163 71.163 69.883 1.280 19382 1468 1 4 . 1 1 45 45 THR H H 45 8.172 8.172 7.727 0.445 19382 1469 1 4 . 1 1 46 46 ASN N N 46 117.525 117.525 117.404 0.121 19382 1470 1 4 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.540 -0.044 19382 1471 1 4 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.758 0.269 19382 1472 1 4 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.704 0.837 19382 1473 1 4 . 1 1 46 46 ASN H H 46 8.389 8.389 8.558 -0.169 19382 1474 1 4 . 1 1 47 47 LYS N N 47 117.695 117.695 118.969 -1.274 19382 1475 1 4 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.445 0.012 19382 1476 1 4 . 1 1 47 47 LYS CA C 47 55.547 55.547 54.870 0.677 19382 1477 1 4 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.295 0.773 19382 1478 1 4 . 1 1 47 47 LYS H H 47 7.649 7.649 7.503 0.146 19382 1479 1 4 . 1 1 48 48 SER N N 48 116.260 116.260 118.891 -2.631 19382 1480 1 4 . 1 1 48 48 SER HA H 48 4.384 4.384 4.480 -0.096 19382 1481 1 4 . 1 1 48 48 SER CA C 48 58.462 58.462 59.575 -1.113 19382 1482 1 4 . 1 1 48 48 SER CB C 48 64.621 64.621 63.477 1.144 19382 1483 1 4 . 1 1 48 48 SER H H 48 8.787 8.787 8.287 0.500 19382 1484 1 4 . 1 1 49 49 ARG N N 49 124.026 124.026 125.083 -1.057 19382 1485 1 4 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.290 0.169 19382 1486 1 4 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.557 0.184 19382 1487 1 4 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.061 1.839 19382 1488 1 4 . 1 1 49 49 ARG H H 49 9.079 9.079 8.869 0.210 19382 1489 1 4 . 1 1 50 50 GLY N N 50 106.539 106.539 106.661 -0.122 19382 1490 1 4 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.278 0.570 19382 1491 1 4 . 1 1 50 50 GLY H H 50 9.178 9.178 8.606 0.572 19382 1492 1 4 . 1 1 51 51 PHE N N 51 112.056 112.056 115.300 -3.244 19382 1493 1 4 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.645 -0.349 19382 1494 1 4 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.184 0.930 19382 1495 1 4 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.704 -0.302 19382 1496 1 4 . 1 1 51 51 PHE H H 51 7.004 7.004 7.273 -0.269 19382 1497 1 4 . 1 1 52 52 ALA N N 52 120.974 120.974 120.347 0.627 19382 1498 1 4 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.892 -0.053 19382 1499 1 4 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.060 -1.394 19382 1500 1 4 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.097 3.495 19382 1501 1 4 . 1 1 52 52 ALA H H 52 8.832 8.832 7.807 1.025 19382 1502 1 4 . 1 1 53 53 PHE N N 53 113.680 113.680 114.933 -1.253 19382 1503 1 4 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.629 0.044 19382 1504 1 4 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.920 -0.780 19382 1505 1 4 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.246 -1.585 19382 1506 1 4 . 1 1 53 53 PHE H H 53 8.710 8.710 7.996 0.714 19382 1507 1 4 . 1 1 54 54 VAL N N 54 124.889 124.889 119.863 5.026 19382 1508 1 4 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.646 0.034 19382 1509 1 4 . 1 1 54 54 VAL CB C 54 35.343 35.343 36.251 -0.908 19382 1510 1 4 . 1 1 54 54 VAL H H 54 8.800 8.800 8.607 0.193 19382 1511 1 4 . 1 1 55 55 THR N N 55 123.052 123.052 125.750 -2.698 19382 1512 1 4 . 1 1 55 55 THR HA H 55 5.159 5.159 5.244 -0.085 19382 1513 1 4 . 1 1 55 55 THR CA C 55 61.912 61.912 61.579 0.333 19382 1514 1 4 . 1 1 55 55 THR CB C 55 69.698 69.698 69.574 0.124 19382 1515 1 4 . 1 1 55 55 THR H H 55 8.943 8.943 9.030 -0.087 19382 1516 1 4 . 1 1 56 56 PHE N N 56 128.514 128.514 126.063 2.451 19382 1517 1 4 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.939 -0.124 19382 1518 1 4 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.040 1.254 19382 1519 1 4 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.508 0.158 19382 1520 1 4 . 1 1 56 56 PHE H H 56 8.917 8.917 9.278 -0.361 19382 1521 1 4 . 1 1 57 57 GLU N N 57 121.809 121.809 121.655 0.154 19382 1522 1 4 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.217 -0.265 19382 1523 1 4 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.678 0.824 19382 1524 1 4 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.423 0.128 19382 1525 1 4 . 1 1 57 57 GLU H H 57 8.240 8.240 8.816 -0.576 19382 1526 1 4 . 1 1 58 58 SER N N 58 112.478 112.478 112.663 -0.185 19382 1527 1 4 . 1 1 58 58 SER HA H 58 5.333 5.333 4.990 0.343 19382 1528 1 4 . 1 1 58 58 SER CA C 58 53.261 53.261 54.096 -0.835 19382 1529 1 4 . 1 1 58 58 SER CB C 58 64.505 64.505 64.772 -0.267 19382 1530 1 4 . 1 1 58 58 SER H H 58 9.461 9.461 7.653 1.808 19382 1531 1 4 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.580 -0.432 19382 1532 1 4 . 1 1 59 59 PRO CA C 59 65.069 65.069 64.053 1.016 19382 1533 1 4 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.870 0.532 19382 1534 1 4 . 1 1 60 60 ALA N N 60 120.882 120.882 120.546 0.336 19382 1535 1 4 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.432 -0.334 19382 1536 1 4 . 1 1 60 60 ALA CA C 60 55.355 55.355 53.018 2.337 19382 1537 1 4 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.714 -1.301 19382 1538 1 4 . 1 1 60 60 ALA H H 60 7.957 7.957 7.635 0.322 19382 1539 1 4 . 1 1 61 61 ASP N N 61 120.196 120.196 120.485 -0.289 19382 1540 1 4 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.478 -0.174 19382 1541 1 4 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.128 -0.156 19382 1542 1 4 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.507 -0.219 19382 1543 1 4 . 1 1 61 61 ASP H H 61 7.157 7.157 7.740 -0.583 19382 1544 1 4 . 1 1 62 62 ALA N N 62 119.636 119.636 121.189 -1.553 19382 1545 1 4 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.713 0.554 19382 1546 1 4 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.408 -0.041 19382 1547 1 4 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.173 0.831 19382 1548 1 4 . 1 1 62 62 ALA H H 62 6.901 6.901 7.351 -0.450 19382 1549 1 4 . 1 1 63 63 LYS N N 63 117.322 117.322 118.697 -1.375 19382 1550 1 4 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.876 0.099 19382 1551 1 4 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.459 0.180 19382 1552 1 4 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.165 -0.119 19382 1553 1 4 . 1 1 63 63 LYS H H 63 7.605 7.605 7.700 -0.095 19382 1554 1 4 . 1 1 64 64 ASP N N 64 120.944 120.944 118.728 2.216 19382 1555 1 4 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.365 -0.001 19382 1556 1 4 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.624 0.871 19382 1557 1 4 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.824 -0.320 19382 1558 1 4 . 1 1 64 64 ASP H H 64 7.488 7.488 7.762 -0.274 19382 1559 1 4 . 1 1 65 65 ALA N N 65 122.197 122.197 120.528 1.669 19382 1560 1 4 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.779 -0.426 19382 1561 1 4 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.256 0.227 19382 1562 1 4 . 1 1 65 65 ALA CB C 65 19.852 19.852 18.955 0.897 19382 1563 1 4 . 1 1 65 65 ALA H H 65 7.806 7.806 7.255 0.551 19382 1564 1 4 . 1 1 66 66 ALA N N 66 118.722 118.722 118.671 0.051 19382 1565 1 4 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.093 -0.234 19382 1566 1 4 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.621 1.760 19382 1567 1 4 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.505 -0.691 19382 1568 1 4 . 1 1 66 66 ALA H H 66 8.247 8.247 7.773 0.474 19382 1569 1 4 . 1 1 67 67 ARG N N 67 116.529 116.529 115.717 0.812 19382 1570 1 4 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.369 -0.263 19382 1571 1 4 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.807 2.127 19382 1572 1 4 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.600 -0.448 19382 1573 1 4 . 1 1 67 67 ARG H H 67 7.803 7.803 7.383 0.420 19382 1574 1 4 . 1 1 68 68 ASP N N 68 116.394 116.394 118.258 -1.864 19382 1575 1 4 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.695 0.037 19382 1576 1 4 . 1 1 68 68 ASP CB C 68 42.683 42.683 43.395 -0.713 19382 1577 1 4 . 1 1 68 68 ASP H H 68 7.800 7.800 7.877 -0.077 19382 1578 1 4 . 1 1 69 69 MET N N 69 111.832 111.832 117.692 -5.860 19382 1579 1 4 . 1 1 69 69 MET HA H 69 4.902 4.902 4.442 0.460 19382 1580 1 4 . 1 1 69 69 MET CA C 69 53.703 53.703 54.617 -0.914 19382 1581 1 4 . 1 1 69 69 MET CB C 69 32.130 32.130 32.370 -0.240 19382 1582 1 4 . 1 1 69 69 MET H H 69 8.203 8.203 8.060 0.143 19382 1583 1 4 . 1 1 70 70 ASN N N 70 116.507 116.507 117.941 -1.434 19382 1584 1 4 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.580 -0.121 19382 1585 1 4 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.673 2.300 19382 1586 1 4 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.463 0.309 19382 1587 1 4 . 1 1 70 70 ASN H H 70 7.724 7.724 7.692 0.032 19382 1588 1 4 . 1 1 71 71 GLY N N 71 117.038 117.038 113.621 3.417 19382 1589 1 4 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.562 0.383 19382 1590 1 4 . 1 1 71 71 GLY H H 71 9.065 9.065 8.161 0.904 19382 1591 1 4 . 1 1 72 72 LYS N N 72 120.950 120.950 120.591 0.359 19382 1592 1 4 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.554 -0.119 19382 1593 1 4 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.919 0.505 19382 1594 1 4 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.580 -0.524 19382 1595 1 4 . 1 1 72 72 LYS H H 72 7.949 7.949 7.586 0.363 19382 1596 1 4 . 1 1 73 73 SER N N 73 112.847 112.847 113.308 -0.461 19382 1597 1 4 . 1 1 73 73 SER HA H 73 5.076 5.076 5.143 -0.067 19382 1598 1 4 . 1 1 73 73 SER CA C 73 57.821 57.821 56.669 1.151 19382 1599 1 4 . 1 1 73 73 SER CB C 73 64.481 64.481 64.907 -0.426 19382 1600 1 4 . 1 1 73 73 SER H H 73 8.078 8.078 8.384 -0.306 19382 1601 1 4 . 1 1 74 74 LEU N N 74 127.515 127.515 123.932 3.583 19382 1602 1 4 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.715 -0.124 19382 1603 1 4 . 1 1 74 74 LEU CA C 74 54.810 54.810 53.887 0.923 19382 1604 1 4 . 1 1 74 74 LEU CB C 74 44.722 44.722 45.409 -0.687 19382 1605 1 4 . 1 1 74 74 LEU H H 74 9.069 9.069 8.939 0.130 19382 1606 1 4 . 1 1 75 75 ASP N N 75 128.803 128.803 125.877 2.926 19382 1607 1 4 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.292 0.049 19382 1608 1 4 . 1 1 75 75 ASP CA C 75 55.686 55.686 55.236 0.450 19382 1609 1 4 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.499 -1.070 19382 1610 1 4 . 1 1 75 75 ASP H H 75 9.565 9.565 9.175 0.390 19382 1611 1 4 . 1 1 76 76 GLY N N 76 101.959 101.959 102.907 -0.948 19382 1612 1 4 . 1 1 76 76 GLY CA C 76 45.659 45.659 44.998 0.661 19382 1613 1 4 . 1 1 76 76 GLY H H 76 8.447 8.447 8.389 0.058 19382 1614 1 4 . 1 1 77 77 LYS N N 77 120.026 120.026 121.872 -1.846 19382 1615 1 4 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.692 0.020 19382 1616 1 4 . 1 1 77 77 LYS CB C 77 34.902 34.902 33.904 0.998 19382 1617 1 4 . 1 1 77 77 LYS H H 77 7.417 7.417 8.039 -0.622 19382 1618 1 4 . 1 1 78 78 ALA N N 78 125.190 125.190 127.974 -2.784 19382 1619 1 4 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.816 -0.279 19382 1620 1 4 . 1 1 78 78 ALA CA C 78 51.602 51.602 52.117 -0.515 19382 1621 1 4 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.451 -1.222 19382 1622 1 4 . 1 1 78 78 ALA H H 78 8.304 8.304 8.740 -0.436 19382 1623 1 4 . 1 1 79 79 ILE N N 79 119.566 119.566 115.987 3.579 19382 1624 1 4 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.177 -0.334 19382 1625 1 4 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.832 1.945 19382 1626 1 4 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.167 -1.613 19382 1627 1 4 . 1 1 79 79 ILE H H 79 8.293 8.293 8.779 -0.486 19382 1628 1 4 . 1 1 80 80 LYS N N 80 123.948 123.948 120.678 3.270 19382 1629 1 4 . 1 1 80 80 LYS HA H 80 5.003 5.003 4.999 0.004 19382 1630 1 4 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.155 0.173 19382 1631 1 4 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.334 -1.364 19382 1632 1 4 . 1 1 80 80 LYS H H 80 8.552 8.552 8.722 -0.170 19382 1633 1 4 . 1 1 81 81 VAL N N 81 123.950 123.950 125.049 -1.099 19382 1634 1 4 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.303 -0.003 19382 1635 1 4 . 1 1 81 81 VAL CA C 81 61.023 61.023 59.959 1.064 19382 1636 1 4 . 1 1 81 81 VAL CB C 81 34.701 34.701 33.812 0.889 19382 1637 1 4 . 1 1 81 81 VAL H H 81 8.753 8.753 8.772 -0.019 19382 1638 1 4 . 1 1 82 82 GLU N N 82 123.264 123.264 124.282 -1.018 19382 1639 1 4 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.634 0.119 19382 1640 1 4 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.530 1.443 19382 1641 1 4 . 1 1 82 82 GLU H H 82 9.060 9.060 8.456 0.604 19382 1642 1 4 . 1 1 83 83 GLN N N 83 121.972 121.972 121.381 0.591 19382 1643 1 4 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.474 -0.136 19382 1644 1 4 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.312 1.052 19382 1645 1 4 . 1 1 83 83 GLN CB C 83 28.986 28.986 29.311 -0.325 19382 1646 1 4 . 1 1 83 83 GLN H H 83 8.790 8.790 8.536 0.254 19382 1647 1 4 . 1 1 84 84 ALA N N 84 129.351 129.351 129.813 -0.462 19382 1648 1 4 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.629 0.647 19382 1649 1 4 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.163 0.699 19382 1650 1 4 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.565 -0.804 19382 1651 1 4 . 1 1 84 84 ALA H H 84 9.051 9.051 8.360 0.691 19382 1652 1 4 . 1 1 85 85 THR HA H 85 4.767 4.767 4.978 -0.211 19382 1653 1 4 . 1 1 85 85 THR CB C 85 70.557 70.557 71.316 -0.759 19382 1654 1 4 . 1 1 86 86 LYS N N 86 120.733 120.733 121.588 -0.855 19382 1655 1 4 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.219 0.241 19382 1656 1 4 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.729 0.584 19382 1657 1 4 . 1 1 86 86 LYS H H 86 8.517 8.517 8.178 0.339 19382 1658 1 4 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.449 -0.016 19382 1659 1 4 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.456 0.640 19382 1660 1 4 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.213 -0.095 19382 1661 1 4 . 1 1 88 88 SER N N 88 117.293 117.293 114.841 2.452 19382 1662 1 4 . 1 1 88 88 SER HA H 88 4.262 4.262 4.311 -0.049 19382 1663 1 4 . 1 1 88 88 SER CA C 88 59.204 59.204 59.464 -0.260 19382 1664 1 4 . 1 1 88 88 SER CB C 88 63.891 63.891 63.002 0.889 19382 1665 1 4 . 1 1 88 88 SER H H 88 8.508 8.508 8.493 0.015 19382 1666 1 4 . 1 1 89 89 PHE N N 89 120.710 120.710 118.526 2.184 19382 1667 1 4 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.885 -0.242 19382 1668 1 4 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.726 0.743 19382 1669 1 4 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.319 0.922 19382 1670 1 4 . 1 1 89 89 PHE H H 89 7.930 7.930 7.466 0.464 19382 1671 1 4 . 1 1 90 90 GLU N N 90 121.794 121.794 118.561 3.233 19382 1672 1 4 . 1 1 90 90 GLU HA H 90 4.287 4.287 3.665 0.622 19382 1673 1 4 . 1 1 90 90 GLU CA C 90 56.701 56.701 57.331 -0.630 19382 1674 1 4 . 1 1 90 90 GLU CB C 90 30.383 30.383 28.985 1.398 19382 1675 1 4 . 1 1 90 90 GLU H H 90 8.099 8.099 7.387 0.712 19382 1676 1 4 . 1 1 91 91 SER N N 91 116.607 116.607 113.515 3.092 19382 1677 1 4 . 1 1 91 91 SER HA H 91 4.419 4.419 4.592 -0.173 19382 1678 1 4 . 1 1 91 91 SER CA C 91 59.090 59.090 56.709 2.381 19382 1679 1 4 . 1 1 91 91 SER CB C 91 64.011 64.011 64.418 -0.407 19382 1680 1 4 . 1 1 91 91 SER H H 91 8.194 8.194 8.131 0.063 19382 1681 1 4 . 1 1 92 92 GLY N N 92 110.531 110.531 111.975 -1.444 19382 1682 1 4 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.810 -0.317 19382 1683 1 4 . 1 1 92 92 GLY H H 92 8.395 8.395 8.830 -0.435 19382 1684 1 4 . 1 1 93 93 ARG N N 93 120.515 120.515 119.533 0.982 19382 1685 1 4 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.349 0.049 19382 1686 1 4 . 1 1 93 93 ARG CA C 93 56.203 56.203 57.075 -0.872 19382 1687 1 4 . 1 1 93 93 ARG CB C 93 31.056 31.056 31.285 -0.229 19382 1688 1 4 . 1 1 93 93 ARG H H 93 8.046 8.046 7.579 0.467 19382 1689 1 4 . 1 1 94 94 ARG N N 94 123.050 123.050 117.683 5.367 19382 1690 1 4 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.503 -0.095 19382 1691 1 4 . 1 1 94 94 ARG CB C 94 31.051 31.051 31.809 -0.758 19382 1692 1 4 . 1 1 94 94 ARG H H 94 8.403 8.403 7.974 0.429 19382 1693 1 5 . 1 1 2 2 VAL N N 2 120.711 120.711 128.013 -7.302 19382 1694 1 5 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.422 -0.182 19382 1695 1 5 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.277 -0.445 19382 1696 1 5 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.096 1.225 19382 1697 1 5 . 1 1 2 2 VAL H H 2 8.063 8.063 8.345 -0.282 19382 1698 1 5 . 1 1 3 3 GLU N N 3 124.381 124.381 127.342 -2.961 19382 1699 1 5 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.633 -0.201 19382 1700 1 5 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.523 0.137 19382 1701 1 5 . 1 1 3 3 GLU CB C 3 31.558 31.558 32.136 -0.578 19382 1702 1 5 . 1 1 3 3 GLU H H 3 8.589 8.589 8.360 0.229 19382 1703 1 5 . 1 1 4 4 ALA N N 4 124.910 124.910 126.314 -1.404 19382 1704 1 5 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.597 -0.313 19382 1705 1 5 . 1 1 4 4 ALA CA C 4 53.537 53.537 51.600 1.937 19382 1706 1 5 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.556 -1.022 19382 1707 1 5 . 1 1 4 4 ALA H H 4 8.442 8.442 8.333 0.109 19382 1708 1 5 . 1 1 5 5 ASP N N 5 119.622 119.622 123.147 -3.525 19382 1709 1 5 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.512 0.131 19382 1710 1 5 . 1 1 5 5 ASP CB C 5 42.674 42.674 42.300 0.374 19382 1711 1 5 . 1 1 5 5 ASP H H 5 8.363 8.363 8.303 0.060 19382 1712 1 5 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.285 0.366 19382 1713 1 5 . 1 1 7 7 PRO CA C 7 64.065 64.065 64.152 -0.087 19382 1714 1 5 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.711 0.213 19382 1715 1 5 . 1 1 8 8 GLY N N 8 110.020 110.020 110.030 -0.010 19382 1716 1 5 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.066 0.307 19382 1717 1 5 . 1 1 8 8 GLY H H 8 8.879 8.879 8.579 0.300 19382 1718 1 5 . 1 1 9 9 LYS N N 9 121.894 121.894 124.177 -2.283 19382 1719 1 5 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.169 -0.032 19382 1720 1 5 . 1 1 9 9 LYS CA C 9 56.028 56.028 56.218 -0.190 19382 1721 1 5 . 1 1 9 9 LYS CB C 9 35.188 35.188 33.863 1.325 19382 1722 1 5 . 1 1 9 9 LYS H H 9 8.011 8.011 7.738 0.273 19382 1723 1 5 . 1 1 10 10 LEU N N 10 127.289 127.289 125.942 1.347 19382 1724 1 5 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.263 -0.283 19382 1725 1 5 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.065 0.429 19382 1726 1 5 . 1 1 10 10 LEU CB C 10 44.494 44.494 46.077 -1.583 19382 1727 1 5 . 1 1 10 10 LEU H H 10 9.536 9.536 9.000 0.536 19382 1728 1 5 . 1 1 11 11 PHE N N 11 123.068 123.068 122.783 0.285 19382 1729 1 5 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.833 -0.415 19382 1730 1 5 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.763 1.405 19382 1731 1 5 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.678 -1.472 19382 1732 1 5 . 1 1 11 11 PHE H H 11 9.386 9.386 9.305 0.081 19382 1733 1 5 . 1 1 12 12 ILE N N 12 127.476 127.476 126.645 0.831 19382 1734 1 5 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.704 0.110 19382 1735 1 5 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.885 1.906 19382 1736 1 5 . 1 1 12 12 ILE H H 12 7.949 7.949 8.097 -0.148 19382 1737 1 5 . 1 1 13 13 GLY N N 13 110.661 110.661 110.489 0.172 19382 1738 1 5 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.440 0.310 19382 1739 1 5 . 1 1 13 13 GLY H H 13 8.939 8.939 7.612 1.327 19382 1740 1 5 . 1 1 14 14 GLY N N 14 107.213 107.213 111.217 -4.004 19382 1741 1 5 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.761 1.015 19382 1742 1 5 . 1 1 14 14 GLY H H 14 8.126 8.126 8.646 -0.520 19382 1743 1 5 . 1 1 15 15 LEU N N 15 115.288 115.288 118.794 -3.506 19382 1744 1 5 . 1 1 15 15 LEU HA H 15 4.057 4.057 3.988 0.069 19382 1745 1 5 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.214 -0.575 19382 1746 1 5 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.198 1.097 19382 1747 1 5 . 1 1 15 15 LEU H H 15 7.621 7.621 7.852 -0.231 19382 1748 1 5 . 1 1 16 16 ASN N N 16 120.674 120.674 116.596 4.078 19382 1749 1 5 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.562 0.011 19382 1750 1 5 . 1 1 16 16 ASN CB C 16 38.631 38.631 38.645 -0.014 19382 1751 1 5 . 1 1 16 16 ASN H H 16 9.597 9.597 8.558 1.039 19382 1752 1 5 . 1 1 17 17 THR N N 17 122.538 122.538 105.711 16.827 19382 1753 1 5 . 1 1 17 17 THR HA H 17 3.900 3.900 4.049 -0.149 19382 1754 1 5 . 1 1 17 17 THR CA C 17 65.542 65.542 64.533 1.009 19382 1755 1 5 . 1 1 17 17 THR CB C 17 68.594 68.594 67.318 1.276 19382 1756 1 5 . 1 1 17 17 THR H H 17 8.807 8.807 8.026 0.781 19382 1757 1 5 . 1 1 18 18 GLU N N 18 118.149 118.149 119.138 -0.989 19382 1758 1 5 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.397 -0.036 19382 1759 1 5 . 1 1 18 18 GLU CA C 18 56.413 56.413 56.472 -0.059 19382 1760 1 5 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.437 0.477 19382 1761 1 5 . 1 1 18 18 GLU H H 18 8.757 8.757 8.540 0.217 19382 1762 1 5 . 1 1 19 19 THR N N 19 119.146 119.146 115.886 3.260 19382 1763 1 5 . 1 1 19 19 THR HA H 19 4.088 4.088 4.344 -0.256 19382 1764 1 5 . 1 1 19 19 THR CA C 19 64.959 64.959 62.918 2.041 19382 1765 1 5 . 1 1 19 19 THR CB C 19 68.536 68.536 69.630 -1.094 19382 1766 1 5 . 1 1 19 19 THR H H 19 7.627 7.627 7.943 -0.316 19382 1767 1 5 . 1 1 20 20 ASN N N 20 126.361 126.361 122.218 4.143 19382 1768 1 5 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.919 -0.003 19382 1769 1 5 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.744 -0.746 19382 1770 1 5 . 1 1 20 20 ASN CB C 20 40.354 40.354 40.845 -0.491 19382 1771 1 5 . 1 1 20 20 ASN H H 20 8.076 8.076 8.391 -0.315 19382 1772 1 5 . 1 1 21 21 GLU N N 21 118.317 118.317 121.081 -2.764 19382 1773 1 5 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.043 -0.322 19382 1774 1 5 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.563 1.257 19382 1775 1 5 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.260 -0.389 19382 1776 1 5 . 1 1 21 21 GLU H H 21 10.233 10.233 8.704 1.528 19382 1777 1 5 . 1 1 22 22 LYS N N 22 118.930 118.930 118.611 0.319 19382 1778 1 5 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.106 0.058 19382 1779 1 5 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.762 0.033 19382 1780 1 5 . 1 1 22 22 LYS CB C 22 31.727 31.727 32.206 -0.479 19382 1781 1 5 . 1 1 22 22 LYS H H 22 7.920 7.920 8.444 -0.524 19382 1782 1 5 . 1 1 23 23 ALA N N 23 123.201 123.201 121.030 2.171 19382 1783 1 5 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.275 0.048 19382 1784 1 5 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.473 0.548 19382 1785 1 5 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.563 0.461 19382 1786 1 5 . 1 1 23 23 ALA H H 23 7.915 7.915 7.468 0.447 19382 1787 1 5 . 1 1 24 24 LEU N N 24 116.213 116.213 118.750 -2.537 19382 1788 1 5 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.296 -0.129 19382 1789 1 5 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.219 0.876 19382 1790 1 5 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.298 0.160 19382 1791 1 5 . 1 1 24 24 LEU H H 24 7.760 7.760 7.320 0.440 19382 1792 1 5 . 1 1 25 25 GLU N N 25 119.637 119.637 118.702 0.935 19382 1793 1 5 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.064 -0.301 19382 1794 1 5 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.991 1.224 19382 1795 1 5 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.625 0.224 19382 1796 1 5 . 1 1 25 25 GLU H H 25 8.545 8.545 8.476 0.069 19382 1797 1 5 . 1 1 26 26 ALA N N 26 121.001 121.001 120.477 0.524 19382 1798 1 5 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.249 -0.051 19382 1799 1 5 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.344 0.737 19382 1800 1 5 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.922 -0.503 19382 1801 1 5 . 1 1 26 26 ALA H H 26 7.975 7.975 7.477 0.498 19382 1802 1 5 . 1 1 27 27 VAL N N 27 115.732 115.732 116.231 -0.499 19382 1803 1 5 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.963 -0.020 19382 1804 1 5 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.338 0.909 19382 1805 1 5 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.870 -0.116 19382 1806 1 5 . 1 1 27 27 VAL H H 27 7.817 7.817 7.375 0.442 19382 1807 1 5 . 1 1 28 28 PHE N N 28 115.329 115.329 117.855 -2.526 19382 1808 1 5 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.974 -0.332 19382 1809 1 5 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.472 3.230 19382 1810 1 5 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.409 -1.125 19382 1811 1 5 . 1 1 28 28 PHE H H 28 8.607 8.607 7.872 0.735 19382 1812 1 5 . 1 1 29 29 GLY N N 29 108.306 108.306 107.236 1.070 19382 1813 1 5 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.654 0.751 19382 1814 1 5 . 1 1 29 29 GLY H H 29 8.425 8.425 7.778 0.647 19382 1815 1 5 . 1 1 30 30 LYS N N 30 117.374 117.374 118.858 -1.484 19382 1816 1 5 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.081 0.015 19382 1817 1 5 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.489 0.404 19382 1818 1 5 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.777 0.219 19382 1819 1 5 . 1 1 30 30 LYS H H 30 6.970 6.970 7.696 -0.726 19382 1820 1 5 . 1 1 31 31 TYR N N 31 115.689 115.689 117.062 -1.373 19382 1821 1 5 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.772 -0.477 19382 1822 1 5 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.693 1.120 19382 1823 1 5 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.820 -2.027 19382 1824 1 5 . 1 1 31 31 TYR H H 31 7.741 7.741 7.602 0.139 19382 1825 1 5 . 1 1 32 32 GLY N N 32 104.475 104.475 104.510 -0.035 19382 1826 1 5 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.453 -0.857 19382 1827 1 5 . 1 1 32 32 GLY H H 32 7.401 7.401 7.513 -0.112 19382 1828 1 5 . 1 1 33 33 ARG N N 33 116.936 116.936 120.999 -4.063 19382 1829 1 5 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.409 -0.127 19382 1830 1 5 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.926 1.976 19382 1831 1 5 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.105 -0.351 19382 1832 1 5 . 1 1 33 33 ARG H H 33 8.286 8.286 8.547 -0.261 19382 1833 1 5 . 1 1 34 34 ILE N N 34 128.703 128.703 126.596 2.107 19382 1834 1 5 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.945 0.083 19382 1835 1 5 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.560 -1.709 19382 1836 1 5 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.556 1.381 19382 1837 1 5 . 1 1 34 34 ILE H H 34 8.797 8.797 8.457 0.340 19382 1838 1 5 . 1 1 35 35 VAL N N 35 122.207 122.207 122.146 0.061 19382 1839 1 5 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.265 0.012 19382 1840 1 5 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.420 -0.032 19382 1841 1 5 . 1 1 35 35 VAL CB C 35 33.054 33.054 33.176 -0.122 19382 1842 1 5 . 1 1 35 35 VAL H H 35 8.859 8.859 8.805 0.054 19382 1843 1 5 . 1 1 36 36 GLU N N 36 118.922 118.922 118.967 -0.045 19382 1844 1 5 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.498 0.037 19382 1845 1 5 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.716 1.128 19382 1846 1 5 . 1 1 36 36 GLU CB C 36 34.132 34.132 33.577 0.555 19382 1847 1 5 . 1 1 36 36 GLU H H 36 7.228 7.228 7.690 -0.462 19382 1848 1 5 . 1 1 37 37 VAL N N 37 126.068 126.068 123.358 2.710 19382 1849 1 5 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.316 0.104 19382 1850 1 5 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.230 1.180 19382 1851 1 5 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.824 -0.916 19382 1852 1 5 . 1 1 37 37 VAL H H 37 8.607 8.607 8.552 0.055 19382 1853 1 5 . 1 1 38 38 LEU N N 38 129.638 129.638 125.719 3.919 19382 1854 1 5 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.871 -0.079 19382 1855 1 5 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.986 -0.591 19382 1856 1 5 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.678 -1.141 19382 1857 1 5 . 1 1 38 38 LEU H H 38 9.052 9.052 8.925 0.127 19382 1858 1 5 . 1 1 39 39 LEU N N 39 128.599 128.599 123.763 4.836 19382 1859 1 5 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.564 -0.164 19382 1860 1 5 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.496 -0.499 19382 1861 1 5 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.930 -0.698 19382 1862 1 5 . 1 1 39 39 LEU H H 39 9.030 9.030 8.410 0.620 19382 1863 1 5 . 1 1 40 40 MET N N 40 125.937 125.937 125.137 0.800 19382 1864 1 5 . 1 1 40 40 MET HA H 40 4.595 4.595 4.729 -0.134 19382 1865 1 5 . 1 1 40 40 MET CA C 40 54.617 54.617 53.215 1.403 19382 1866 1 5 . 1 1 40 40 MET CB C 40 29.778 29.778 32.533 -2.755 19382 1867 1 5 . 1 1 40 40 MET H H 40 7.848 7.848 8.116 -0.268 19382 1868 1 5 . 1 1 41 41 LYS N N 41 122.049 122.049 120.111 1.938 19382 1869 1 5 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.751 0.160 19382 1870 1 5 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.620 0.088 19382 1871 1 5 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.628 0.714 19382 1872 1 5 . 1 1 41 41 LYS H H 41 8.444 8.444 8.266 0.178 19382 1873 1 5 . 1 1 42 42 ASP N N 42 123.896 123.896 121.775 2.121 19382 1874 1 5 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.547 0.138 19382 1875 1 5 . 1 1 42 42 ASP CB C 42 43.050 43.050 43.065 -0.015 19382 1876 1 5 . 1 1 42 42 ASP H H 42 8.864 8.864 8.897 -0.033 19382 1877 1 5 . 1 1 43 43 ARG N N 43 126.892 126.892 120.219 6.673 19382 1878 1 5 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.499 -0.344 19382 1879 1 5 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.026 1.764 19382 1880 1 5 . 1 1 43 43 ARG CB C 43 30.330 30.330 31.085 -0.755 19382 1881 1 5 . 1 1 43 43 ARG H H 43 8.983 8.983 8.500 0.483 19382 1882 1 5 . 1 1 44 44 GLU N N 44 117.468 117.468 119.308 -1.840 19382 1883 1 5 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.514 -0.143 19382 1884 1 5 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.210 1.473 19382 1885 1 5 . 1 1 44 44 GLU CB C 44 30.160 30.160 31.231 -1.071 19382 1886 1 5 . 1 1 44 44 GLU H H 44 8.687 8.687 9.046 -0.359 19382 1887 1 5 . 1 1 45 45 THR N N 45 107.088 107.088 109.188 -2.100 19382 1888 1 5 . 1 1 45 45 THR HA H 45 4.447 4.447 4.467 -0.020 19382 1889 1 5 . 1 1 45 45 THR CA C 45 61.838 61.838 61.292 0.546 19382 1890 1 5 . 1 1 45 45 THR CB C 45 71.163 71.163 69.868 1.295 19382 1891 1 5 . 1 1 45 45 THR H H 45 8.172 8.172 7.692 0.480 19382 1892 1 5 . 1 1 46 46 ASN N N 46 117.525 117.525 116.022 1.503 19382 1893 1 5 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.533 -0.037 19382 1894 1 5 . 1 1 46 46 ASN CA C 46 55.027 55.027 55.052 -0.025 19382 1895 1 5 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.684 0.857 19382 1896 1 5 . 1 1 46 46 ASN H H 46 8.389 8.389 8.564 -0.175 19382 1897 1 5 . 1 1 47 47 LYS N N 47 117.695 117.695 118.192 -0.497 19382 1898 1 5 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.392 0.065 19382 1899 1 5 . 1 1 47 47 LYS CA C 47 55.547 55.547 55.079 0.468 19382 1900 1 5 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.569 0.499 19382 1901 1 5 . 1 1 47 47 LYS H H 47 7.649 7.649 7.480 0.169 19382 1902 1 5 . 1 1 48 48 SER N N 48 116.260 116.260 115.850 0.410 19382 1903 1 5 . 1 1 48 48 SER HA H 48 4.384 4.384 4.455 -0.071 19382 1904 1 5 . 1 1 48 48 SER CA C 48 58.462 58.462 59.268 -0.806 19382 1905 1 5 . 1 1 48 48 SER CB C 48 64.621 64.621 63.821 0.800 19382 1906 1 5 . 1 1 48 48 SER H H 48 8.787 8.787 8.279 0.508 19382 1907 1 5 . 1 1 49 49 ARG N N 49 124.026 124.026 125.741 -1.715 19382 1908 1 5 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.314 0.145 19382 1909 1 5 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.351 0.390 19382 1910 1 5 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.044 1.857 19382 1911 1 5 . 1 1 49 49 ARG H H 49 9.079 9.079 8.547 0.532 19382 1912 1 5 . 1 1 50 50 GLY N N 50 106.539 106.539 106.947 -0.408 19382 1913 1 5 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.485 0.363 19382 1914 1 5 . 1 1 50 50 GLY H H 50 9.178 9.178 8.050 1.128 19382 1915 1 5 . 1 1 51 51 PHE N N 51 112.056 112.056 115.591 -3.535 19382 1916 1 5 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.633 -0.337 19382 1917 1 5 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.094 1.019 19382 1918 1 5 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.640 -0.238 19382 1919 1 5 . 1 1 51 51 PHE H H 51 7.004 7.004 7.186 -0.182 19382 1920 1 5 . 1 1 52 52 ALA N N 52 120.974 120.974 120.428 0.546 19382 1921 1 5 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.907 -0.068 19382 1922 1 5 . 1 1 52 52 ALA CA C 52 49.666 49.666 50.986 -1.320 19382 1923 1 5 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.091 3.501 19382 1924 1 5 . 1 1 52 52 ALA H H 52 8.832 8.832 7.665 1.167 19382 1925 1 5 . 1 1 53 53 PHE N N 53 113.680 113.680 114.859 -1.179 19382 1926 1 5 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.571 0.102 19382 1927 1 5 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.955 -0.815 19382 1928 1 5 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.229 -1.568 19382 1929 1 5 . 1 1 53 53 PHE H H 53 8.710 8.710 8.047 0.663 19382 1930 1 5 . 1 1 54 54 VAL N N 54 124.889 124.889 119.835 5.054 19382 1931 1 5 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.698 -0.018 19382 1932 1 5 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.892 -0.549 19382 1933 1 5 . 1 1 54 54 VAL H H 54 8.800 8.800 8.540 0.260 19382 1934 1 5 . 1 1 55 55 THR N N 55 123.052 123.052 126.117 -3.065 19382 1935 1 5 . 1 1 55 55 THR HA H 55 5.159 5.159 5.080 0.079 19382 1936 1 5 . 1 1 55 55 THR CA C 55 61.912 61.912 61.413 0.499 19382 1937 1 5 . 1 1 55 55 THR CB C 55 69.698 69.698 69.881 -0.183 19382 1938 1 5 . 1 1 55 55 THR H H 55 8.943 8.943 9.018 -0.075 19382 1939 1 5 . 1 1 56 56 PHE N N 56 128.514 128.514 126.020 2.494 19382 1940 1 5 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.871 -0.056 19382 1941 1 5 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.196 1.098 19382 1942 1 5 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.314 0.352 19382 1943 1 5 . 1 1 56 56 PHE H H 56 8.917 8.917 9.276 -0.359 19382 1944 1 5 . 1 1 57 57 GLU N N 57 121.809 121.809 121.593 0.216 19382 1945 1 5 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.206 -0.254 19382 1946 1 5 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.828 0.674 19382 1947 1 5 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.432 0.119 19382 1948 1 5 . 1 1 57 57 GLU H H 57 8.240 8.240 8.872 -0.632 19382 1949 1 5 . 1 1 58 58 SER N N 58 112.478 112.478 112.618 -0.140 19382 1950 1 5 . 1 1 58 58 SER HA H 58 5.333 5.333 4.990 0.343 19382 1951 1 5 . 1 1 58 58 SER CA C 58 53.261 53.261 54.100 -0.839 19382 1952 1 5 . 1 1 58 58 SER CB C 58 64.505 64.505 64.750 -0.245 19382 1953 1 5 . 1 1 58 58 SER H H 58 9.461 9.461 7.660 1.801 19382 1954 1 5 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.606 -0.458 19382 1955 1 5 . 1 1 59 59 PRO CA C 59 65.069 65.069 63.926 1.143 19382 1956 1 5 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.795 0.607 19382 1957 1 5 . 1 1 60 60 ALA N N 60 120.882 120.882 120.555 0.327 19382 1958 1 5 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.447 -0.349 19382 1959 1 5 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.906 2.449 19382 1960 1 5 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.838 -1.425 19382 1961 1 5 . 1 1 60 60 ALA H H 60 7.957 7.957 7.625 0.332 19382 1962 1 5 . 1 1 61 61 ASP N N 61 120.196 120.196 120.459 -0.263 19382 1963 1 5 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.474 -0.170 19382 1964 1 5 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.113 -0.141 19382 1965 1 5 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.499 -0.211 19382 1966 1 5 . 1 1 61 61 ASP H H 61 7.157 7.157 7.765 -0.608 19382 1967 1 5 . 1 1 62 62 ALA N N 62 119.636 119.636 121.131 -1.495 19382 1968 1 5 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.704 0.563 19382 1969 1 5 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.532 -0.166 19382 1970 1 5 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.214 0.790 19382 1971 1 5 . 1 1 62 62 ALA H H 62 6.901 6.901 7.332 -0.431 19382 1972 1 5 . 1 1 63 63 LYS N N 63 117.322 117.322 117.853 -0.531 19382 1973 1 5 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.863 0.112 19382 1974 1 5 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.743 -0.105 19382 1975 1 5 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.049 -0.003 19382 1976 1 5 . 1 1 63 63 LYS H H 63 7.605 7.605 7.890 -0.285 19382 1977 1 5 . 1 1 64 64 ASP N N 64 120.944 120.944 118.115 2.829 19382 1978 1 5 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.379 -0.015 19382 1979 1 5 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.552 0.943 19382 1980 1 5 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.941 -0.437 19382 1981 1 5 . 1 1 64 64 ASP H H 64 7.488 7.488 7.753 -0.265 19382 1982 1 5 . 1 1 65 65 ALA N N 65 122.197 122.197 120.540 1.657 19382 1983 1 5 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.837 -0.484 19382 1984 1 5 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.215 0.268 19382 1985 1 5 . 1 1 65 65 ALA CB C 65 19.852 19.852 18.996 0.856 19382 1986 1 5 . 1 1 65 65 ALA H H 65 7.806 7.806 7.136 0.670 19382 1987 1 5 . 1 1 66 66 ALA N N 66 118.722 118.722 118.753 -0.031 19382 1988 1 5 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.091 -0.232 19382 1989 1 5 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.667 1.714 19382 1990 1 5 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.497 -0.683 19382 1991 1 5 . 1 1 66 66 ALA H H 66 8.247 8.247 7.835 0.412 19382 1992 1 5 . 1 1 67 67 ARG N N 67 116.529 116.529 115.268 1.261 19382 1993 1 5 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.342 -0.236 19382 1994 1 5 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.794 2.140 19382 1995 1 5 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.663 -0.511 19382 1996 1 5 . 1 1 67 67 ARG H H 67 7.803 7.803 7.397 0.406 19382 1997 1 5 . 1 1 68 68 ASP N N 68 116.394 116.394 118.182 -1.788 19382 1998 1 5 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.714 0.018 19382 1999 1 5 . 1 1 68 68 ASP CB C 68 42.683 42.683 42.887 -0.204 19382 2000 1 5 . 1 1 68 68 ASP H H 68 7.800 7.800 7.893 -0.093 19382 2001 1 5 . 1 1 69 69 MET N N 69 111.832 111.832 117.550 -5.718 19382 2002 1 5 . 1 1 69 69 MET HA H 69 4.902 4.902 4.431 0.471 19382 2003 1 5 . 1 1 69 69 MET CA C 69 53.703 53.703 54.690 -0.987 19382 2004 1 5 . 1 1 69 69 MET CB C 69 32.130 32.130 32.456 -0.326 19382 2005 1 5 . 1 1 69 69 MET H H 69 8.203 8.203 8.042 0.161 19382 2006 1 5 . 1 1 70 70 ASN N N 70 116.507 116.507 117.882 -1.375 19382 2007 1 5 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.576 -0.117 19382 2008 1 5 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.713 2.260 19382 2009 1 5 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.512 0.260 19382 2010 1 5 . 1 1 70 70 ASN H H 70 7.724 7.724 7.658 0.066 19382 2011 1 5 . 1 1 71 71 GLY N N 71 117.038 117.038 113.778 3.260 19382 2012 1 5 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.555 0.390 19382 2013 1 5 . 1 1 71 71 GLY H H 71 9.065 9.065 8.195 0.870 19382 2014 1 5 . 1 1 72 72 LYS N N 72 120.950 120.950 120.612 0.338 19382 2015 1 5 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.566 -0.131 19382 2016 1 5 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.861 0.563 19382 2017 1 5 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.600 -0.544 19382 2018 1 5 . 1 1 72 72 LYS H H 72 7.949 7.949 7.595 0.354 19382 2019 1 5 . 1 1 73 73 SER N N 73 112.847 112.847 113.341 -0.494 19382 2020 1 5 . 1 1 73 73 SER HA H 73 5.076 5.076 5.142 -0.066 19382 2021 1 5 . 1 1 73 73 SER CA C 73 57.821 57.821 56.609 1.212 19382 2022 1 5 . 1 1 73 73 SER CB C 73 64.481 64.481 64.892 -0.411 19382 2023 1 5 . 1 1 73 73 SER H H 73 8.078 8.078 8.395 -0.317 19382 2024 1 5 . 1 1 74 74 LEU N N 74 127.515 127.515 124.094 3.421 19382 2025 1 5 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.749 -0.158 19382 2026 1 5 . 1 1 74 74 LEU CA C 74 54.810 54.810 53.881 0.929 19382 2027 1 5 . 1 1 74 74 LEU CB C 74 44.722 44.722 44.899 -0.177 19382 2028 1 5 . 1 1 74 74 LEU H H 74 9.069 9.069 8.846 0.223 19382 2029 1 5 . 1 1 75 75 ASP N N 75 128.803 128.803 124.966 3.837 19382 2030 1 5 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.250 0.091 19382 2031 1 5 . 1 1 75 75 ASP CA C 75 55.686 55.686 55.714 -0.028 19382 2032 1 5 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.809 -1.380 19382 2033 1 5 . 1 1 75 75 ASP H H 75 9.565 9.565 9.247 0.318 19382 2034 1 5 . 1 1 76 76 GLY N N 76 101.959 101.959 103.353 -1.394 19382 2035 1 5 . 1 1 76 76 GLY CA C 76 45.659 45.659 45.044 0.616 19382 2036 1 5 . 1 1 76 76 GLY H H 76 8.447 8.447 7.828 0.619 19382 2037 1 5 . 1 1 77 77 LYS N N 77 120.026 120.026 122.214 -2.188 19382 2038 1 5 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.745 -0.033 19382 2039 1 5 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.639 0.263 19382 2040 1 5 . 1 1 77 77 LYS H H 77 7.417 7.417 8.123 -0.706 19382 2041 1 5 . 1 1 78 78 ALA N N 78 125.190 125.190 126.968 -1.778 19382 2042 1 5 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.849 -0.312 19382 2043 1 5 . 1 1 78 78 ALA CA C 78 51.602 51.602 52.219 -0.617 19382 2044 1 5 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.406 -1.178 19382 2045 1 5 . 1 1 78 78 ALA H H 78 8.304 8.304 8.684 -0.380 19382 2046 1 5 . 1 1 79 79 ILE N N 79 119.566 119.566 115.516 4.050 19382 2047 1 5 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.215 -0.372 19382 2048 1 5 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.808 1.969 19382 2049 1 5 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.162 -1.608 19382 2050 1 5 . 1 1 79 79 ILE H H 79 8.293 8.293 8.747 -0.454 19382 2051 1 5 . 1 1 80 80 LYS N N 80 123.948 123.948 120.514 3.434 19382 2052 1 5 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.032 -0.029 19382 2053 1 5 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.275 0.053 19382 2054 1 5 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.358 -1.388 19382 2055 1 5 . 1 1 80 80 LYS H H 80 8.552 8.552 8.689 -0.137 19382 2056 1 5 . 1 1 81 81 VAL N N 81 123.950 123.950 124.654 -0.704 19382 2057 1 5 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.263 0.037 19382 2058 1 5 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.926 0.097 19382 2059 1 5 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.399 0.302 19382 2060 1 5 . 1 1 81 81 VAL H H 81 8.753 8.753 8.725 0.028 19382 2061 1 5 . 1 1 82 82 GLU N N 82 123.264 123.264 124.583 -1.319 19382 2062 1 5 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.657 0.096 19382 2063 1 5 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.625 1.348 19382 2064 1 5 . 1 1 82 82 GLU H H 82 9.060 9.060 8.419 0.641 19382 2065 1 5 . 1 1 83 83 GLN N N 83 121.972 121.972 121.898 0.074 19382 2066 1 5 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.433 -0.095 19382 2067 1 5 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.189 1.175 19382 2068 1 5 . 1 1 83 83 GLN CB C 83 28.986 28.986 29.327 -0.341 19382 2069 1 5 . 1 1 83 83 GLN H H 83 8.790 8.790 8.509 0.281 19382 2070 1 5 . 1 1 84 84 ALA N N 84 129.351 129.351 130.642 -1.291 19382 2071 1 5 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.659 0.617 19382 2072 1 5 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.038 0.825 19382 2073 1 5 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.452 -0.691 19382 2074 1 5 . 1 1 84 84 ALA H H 84 9.051 9.051 8.469 0.582 19382 2075 1 5 . 1 1 85 85 THR HA H 85 4.767 4.767 4.404 0.363 19382 2076 1 5 . 1 1 85 85 THR CB C 85 70.557 70.557 70.564 -0.007 19382 2077 1 5 . 1 1 86 86 LYS N N 86 120.733 120.733 121.339 -0.606 19382 2078 1 5 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.288 0.172 19382 2079 1 5 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.679 0.634 19382 2080 1 5 . 1 1 86 86 LYS H H 86 8.517 8.517 8.473 0.044 19382 2081 1 5 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.354 0.079 19382 2082 1 5 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.640 0.456 19382 2083 1 5 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.361 -0.243 19382 2084 1 5 . 1 1 88 88 SER N N 88 117.293 117.293 114.998 2.295 19382 2085 1 5 . 1 1 88 88 SER HA H 88 4.262 4.262 4.438 -0.176 19382 2086 1 5 . 1 1 88 88 SER CA C 88 59.204 59.204 57.904 1.300 19382 2087 1 5 . 1 1 88 88 SER CB C 88 63.891 63.891 63.010 0.881 19382 2088 1 5 . 1 1 88 88 SER H H 88 8.508 8.508 8.308 0.200 19382 2089 1 5 . 1 1 89 89 PHE N N 89 120.710 120.710 119.894 0.816 19382 2090 1 5 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.873 -0.230 19382 2091 1 5 . 1 1 89 89 PHE CA C 89 57.469 57.469 58.106 -0.637 19382 2092 1 5 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.983 0.257 19382 2093 1 5 . 1 1 89 89 PHE H H 89 7.930 7.930 7.717 0.213 19382 2094 1 5 . 1 1 90 90 GLU N N 90 121.794 121.794 119.835 1.959 19382 2095 1 5 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.596 -0.309 19382 2096 1 5 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.571 1.130 19382 2097 1 5 . 1 1 90 90 GLU CB C 90 30.383 30.383 32.016 -1.633 19382 2098 1 5 . 1 1 90 90 GLU H H 90 8.099 8.099 7.593 0.506 19382 2099 1 5 . 1 1 91 91 SER N N 91 116.607 116.607 117.812 -1.205 19382 2100 1 5 . 1 1 91 91 SER HA H 91 4.419 4.419 4.575 -0.156 19382 2101 1 5 . 1 1 91 91 SER CA C 91 59.090 59.090 57.912 1.178 19382 2102 1 5 . 1 1 91 91 SER CB C 91 64.011 64.011 63.721 0.290 19382 2103 1 5 . 1 1 91 91 SER H H 91 8.194 8.194 8.577 -0.383 19382 2104 1 5 . 1 1 92 92 GLY N N 92 110.531 110.531 110.656 -0.125 19382 2105 1 5 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.211 0.282 19382 2106 1 5 . 1 1 92 92 GLY H H 92 8.395 8.395 7.844 0.551 19382 2107 1 5 . 1 1 93 93 ARG N N 93 120.515 120.515 120.809 -0.294 19382 2108 1 5 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.668 -0.270 19382 2109 1 5 . 1 1 93 93 ARG CA C 93 56.203 56.203 55.004 1.199 19382 2110 1 5 . 1 1 93 93 ARG CB C 93 31.056 31.056 32.331 -1.275 19382 2111 1 5 . 1 1 93 93 ARG H H 93 8.046 8.046 8.242 -0.196 19382 2112 1 5 . 1 1 94 94 ARG N N 94 123.050 123.050 120.719 2.331 19382 2113 1 5 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.604 -0.196 19382 2114 1 5 . 1 1 94 94 ARG CB C 94 31.051 31.051 31.030 0.021 19382 2115 1 5 . 1 1 94 94 ARG H H 94 8.403 8.403 8.542 -0.139 19382 2116 1 6 . 1 1 2 2 VAL N N 2 120.711 120.711 120.383 0.328 19382 2117 1 6 . 1 1 2 2 VAL HA H 2 4.240 4.240 3.948 0.292 19382 2118 1 6 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.594 -0.762 19382 2119 1 6 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.230 1.091 19382 2120 1 6 . 1 1 2 2 VAL H H 2 8.063 8.063 8.218 -0.155 19382 2121 1 6 . 1 1 3 3 GLU N N 3 124.381 124.381 120.555 3.826 19382 2122 1 6 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.326 0.106 19382 2123 1 6 . 1 1 3 3 GLU CA C 3 55.660 55.660 56.150 -0.490 19382 2124 1 6 . 1 1 3 3 GLU CB C 3 31.558 31.558 30.276 1.282 19382 2125 1 6 . 1 1 3 3 GLU H H 3 8.589 8.589 7.596 0.993 19382 2126 1 6 . 1 1 4 4 ALA N N 4 124.910 124.910 128.354 -3.444 19382 2127 1 6 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.742 -0.458 19382 2128 1 6 . 1 1 4 4 ALA CA C 4 53.537 53.537 50.345 3.192 19382 2129 1 6 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.008 -0.473 19382 2130 1 6 . 1 1 4 4 ALA H H 4 8.442 8.442 8.382 0.060 19382 2131 1 6 . 1 1 5 5 ASP N N 5 119.622 119.622 127.320 -7.698 19382 2132 1 6 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.449 0.194 19382 2133 1 6 . 1 1 5 5 ASP CB C 5 42.674 42.674 39.933 2.741 19382 2134 1 6 . 1 1 5 5 ASP H H 5 8.363 8.363 8.497 -0.134 19382 2135 1 6 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.232 0.419 19382 2136 1 6 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.752 0.313 19382 2137 1 6 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.747 0.177 19382 2138 1 6 . 1 1 8 8 GLY N N 8 110.020 110.020 109.579 0.441 19382 2139 1 6 . 1 1 8 8 GLY CA C 8 45.373 45.373 44.990 0.383 19382 2140 1 6 . 1 1 8 8 GLY H H 8 8.879 8.879 8.487 0.392 19382 2141 1 6 . 1 1 9 9 LYS N N 9 121.894 121.894 123.890 -1.996 19382 2142 1 6 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.431 -0.294 19382 2143 1 6 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.491 0.537 19382 2144 1 6 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.334 0.854 19382 2145 1 6 . 1 1 9 9 LYS H H 9 8.011 8.011 7.469 0.542 19382 2146 1 6 . 1 1 10 10 LEU N N 10 127.289 127.289 126.679 0.610 19382 2147 1 6 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.243 -0.263 19382 2148 1 6 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.225 0.269 19382 2149 1 6 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.563 -1.069 19382 2150 1 6 . 1 1 10 10 LEU H H 10 9.536 9.536 9.128 0.408 19382 2151 1 6 . 1 1 11 11 PHE N N 11 123.068 123.068 123.505 -0.437 19382 2152 1 6 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.760 -0.342 19382 2153 1 6 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.991 1.177 19382 2154 1 6 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.096 -0.890 19382 2155 1 6 . 1 1 11 11 PHE H H 11 9.386 9.386 9.373 0.013 19382 2156 1 6 . 1 1 12 12 ILE N N 12 127.476 127.476 127.157 0.319 19382 2157 1 6 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.703 0.110 19382 2158 1 6 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.497 2.294 19382 2159 1 6 . 1 1 12 12 ILE H H 12 7.949 7.949 8.049 -0.100 19382 2160 1 6 . 1 1 13 13 GLY N N 13 110.661 110.661 110.161 0.500 19382 2161 1 6 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.513 0.237 19382 2162 1 6 . 1 1 13 13 GLY H H 13 8.939 8.939 7.557 1.382 19382 2163 1 6 . 1 1 14 14 GLY N N 14 107.213 107.213 111.784 -4.571 19382 2164 1 6 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.783 0.993 19382 2165 1 6 . 1 1 14 14 GLY H H 14 8.126 8.126 8.751 -0.625 19382 2166 1 6 . 1 1 15 15 LEU N N 15 115.288 115.288 119.552 -4.264 19382 2167 1 6 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.128 -0.071 19382 2168 1 6 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.075 -0.436 19382 2169 1 6 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.230 1.065 19382 2170 1 6 . 1 1 15 15 LEU H H 15 7.621 7.621 7.687 -0.066 19382 2171 1 6 . 1 1 16 16 ASN N N 16 120.674 120.674 117.654 3.020 19382 2172 1 6 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.681 -0.108 19382 2173 1 6 . 1 1 16 16 ASN CB C 16 38.631 38.631 39.835 -1.204 19382 2174 1 6 . 1 1 16 16 ASN H H 16 9.597 9.597 8.551 1.046 19382 2175 1 6 . 1 1 17 17 THR N N 17 122.538 122.538 112.726 9.812 19382 2176 1 6 . 1 1 17 17 THR HA H 17 3.900 3.900 4.234 -0.334 19382 2177 1 6 . 1 1 17 17 THR CA C 17 65.542 65.542 63.883 1.659 19382 2178 1 6 . 1 1 17 17 THR CB C 17 68.594 68.594 69.104 -0.510 19382 2179 1 6 . 1 1 17 17 THR H H 17 8.807 8.807 8.621 0.186 19382 2180 1 6 . 1 1 18 18 GLU N N 18 118.149 118.149 118.098 0.051 19382 2181 1 6 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.516 -0.155 19382 2182 1 6 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.552 0.861 19382 2183 1 6 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.799 0.115 19382 2184 1 6 . 1 1 18 18 GLU H H 18 8.757 8.757 8.215 0.542 19382 2185 1 6 . 1 1 19 19 THR N N 19 119.146 119.146 118.651 0.495 19382 2186 1 6 . 1 1 19 19 THR HA H 19 4.088 4.088 4.318 -0.230 19382 2187 1 6 . 1 1 19 19 THR CA C 19 64.959 64.959 63.539 1.420 19382 2188 1 6 . 1 1 19 19 THR CB C 19 68.536 68.536 69.627 -1.091 19382 2189 1 6 . 1 1 19 19 THR H H 19 7.627 7.627 7.584 0.043 19382 2190 1 6 . 1 1 20 20 ASN N N 20 126.361 126.361 122.555 3.806 19382 2191 1 6 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.980 -0.064 19382 2192 1 6 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.905 -0.907 19382 2193 1 6 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.286 -0.932 19382 2194 1 6 . 1 1 20 20 ASN H H 20 8.076 8.076 8.366 -0.290 19382 2195 1 6 . 1 1 21 21 GLU N N 21 118.317 118.317 121.358 -3.041 19382 2196 1 6 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.006 -0.285 19382 2197 1 6 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.192 1.628 19382 2198 1 6 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.563 -0.692 19382 2199 1 6 . 1 1 21 21 GLU H H 21 10.233 10.233 8.723 1.510 19382 2200 1 6 . 1 1 22 22 LYS N N 22 118.930 118.930 119.224 -0.294 19382 2201 1 6 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.120 0.044 19382 2202 1 6 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.591 0.204 19382 2203 1 6 . 1 1 22 22 LYS CB C 22 31.727 31.727 31.958 -0.231 19382 2204 1 6 . 1 1 22 22 LYS H H 22 7.920 7.920 8.373 -0.453 19382 2205 1 6 . 1 1 23 23 ALA N N 23 123.201 123.201 121.137 2.064 19382 2206 1 6 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.274 0.049 19382 2207 1 6 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.512 0.509 19382 2208 1 6 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.497 0.527 19382 2209 1 6 . 1 1 23 23 ALA H H 23 7.915 7.915 7.501 0.414 19382 2210 1 6 . 1 1 24 24 LEU N N 24 116.213 116.213 118.566 -2.353 19382 2211 1 6 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.339 -0.172 19382 2212 1 6 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.174 0.921 19382 2213 1 6 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.379 0.079 19382 2214 1 6 . 1 1 24 24 LEU H H 24 7.760 7.760 7.268 0.492 19382 2215 1 6 . 1 1 25 25 GLU N N 25 119.637 119.637 118.757 0.880 19382 2216 1 6 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.070 -0.307 19382 2217 1 6 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.978 1.237 19382 2218 1 6 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.692 0.157 19382 2219 1 6 . 1 1 25 25 GLU H H 25 8.545 8.545 8.690 -0.145 19382 2220 1 6 . 1 1 26 26 ALA N N 26 121.001 121.001 121.024 -0.023 19382 2221 1 6 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.266 -0.068 19382 2222 1 6 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.514 0.568 19382 2223 1 6 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.870 -0.451 19382 2224 1 6 . 1 1 26 26 ALA H H 26 7.975 7.975 7.493 0.482 19382 2225 1 6 . 1 1 27 27 VAL N N 27 115.732 115.732 116.162 -0.430 19382 2226 1 6 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.989 -0.046 19382 2227 1 6 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.018 1.229 19382 2228 1 6 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.514 0.240 19382 2229 1 6 . 1 1 27 27 VAL H H 27 7.817 7.817 7.556 0.261 19382 2230 1 6 . 1 1 28 28 PHE N N 28 115.329 115.329 118.299 -2.970 19382 2231 1 6 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.973 -0.331 19382 2232 1 6 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.754 2.948 19382 2233 1 6 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.270 -0.986 19382 2234 1 6 . 1 1 28 28 PHE H H 28 8.607 8.607 7.815 0.792 19382 2235 1 6 . 1 1 29 29 GLY N N 29 108.306 108.306 107.130 1.176 19382 2236 1 6 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.563 0.842 19382 2237 1 6 . 1 1 29 29 GLY H H 29 8.425 8.425 7.781 0.644 19382 2238 1 6 . 1 1 30 30 LYS N N 30 117.374 117.374 118.878 -1.504 19382 2239 1 6 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.077 0.019 19382 2240 1 6 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.437 0.456 19382 2241 1 6 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.757 0.239 19382 2242 1 6 . 1 1 30 30 LYS H H 30 6.970 6.970 7.649 -0.679 19382 2243 1 6 . 1 1 31 31 TYR N N 31 115.689 115.689 116.981 -1.292 19382 2244 1 6 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.794 -0.499 19382 2245 1 6 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.536 1.277 19382 2246 1 6 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.883 -2.090 19382 2247 1 6 . 1 1 31 31 TYR H H 31 7.741 7.741 7.559 0.181 19382 2248 1 6 . 1 1 32 32 GLY N N 32 104.475 104.475 104.560 -0.085 19382 2249 1 6 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.454 -0.858 19382 2250 1 6 . 1 1 32 32 GLY H H 32 7.401 7.401 7.504 -0.103 19382 2251 1 6 . 1 1 33 33 ARG N N 33 116.936 116.936 120.975 -4.039 19382 2252 1 6 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.427 -0.145 19382 2253 1 6 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.914 1.989 19382 2254 1 6 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.104 -0.350 19382 2255 1 6 . 1 1 33 33 ARG H H 33 8.286 8.286 8.488 -0.202 19382 2256 1 6 . 1 1 34 34 ILE N N 34 128.703 128.703 126.425 2.278 19382 2257 1 6 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.957 0.071 19382 2258 1 6 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.541 -1.690 19382 2259 1 6 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.601 1.336 19382 2260 1 6 . 1 1 34 34 ILE H H 34 8.797 8.797 8.465 0.332 19382 2261 1 6 . 1 1 35 35 VAL N N 35 122.207 122.207 123.104 -0.897 19382 2262 1 6 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.292 -0.015 19382 2263 1 6 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.572 -0.184 19382 2264 1 6 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.957 0.097 19382 2265 1 6 . 1 1 35 35 VAL H H 35 8.859 8.859 8.932 -0.073 19382 2266 1 6 . 1 1 36 36 GLU N N 36 118.922 118.922 119.158 -0.236 19382 2267 1 6 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.526 0.009 19382 2268 1 6 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.944 0.900 19382 2269 1 6 . 1 1 36 36 GLU CB C 36 34.132 34.132 32.974 1.158 19382 2270 1 6 . 1 1 36 36 GLU H H 36 7.228 7.228 7.640 -0.412 19382 2271 1 6 . 1 1 37 37 VAL N N 37 126.068 126.068 123.058 3.010 19382 2272 1 6 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.350 0.070 19382 2273 1 6 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.415 0.995 19382 2274 1 6 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.796 -0.888 19382 2275 1 6 . 1 1 37 37 VAL H H 37 8.607 8.607 8.538 0.069 19382 2276 1 6 . 1 1 38 38 LEU N N 38 129.638 129.638 125.885 3.753 19382 2277 1 6 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.818 -0.026 19382 2278 1 6 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.681 -0.286 19382 2279 1 6 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.602 -1.064 19382 2280 1 6 . 1 1 38 38 LEU H H 38 9.052 9.052 8.940 0.112 19382 2281 1 6 . 1 1 39 39 LEU N N 39 128.599 128.599 122.851 5.748 19382 2282 1 6 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.477 -0.077 19382 2283 1 6 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.469 -0.472 19382 2284 1 6 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.962 -0.730 19382 2285 1 6 . 1 1 39 39 LEU H H 39 9.030 9.030 8.325 0.705 19382 2286 1 6 . 1 1 40 40 MET N N 40 125.937 125.937 125.333 0.604 19382 2287 1 6 . 1 1 40 40 MET HA H 40 4.595 4.595 4.719 -0.124 19382 2288 1 6 . 1 1 40 40 MET CA C 40 54.617 54.617 53.343 1.274 19382 2289 1 6 . 1 1 40 40 MET CB C 40 29.778 29.778 32.771 -2.993 19382 2290 1 6 . 1 1 40 40 MET H H 40 7.848 7.848 8.114 -0.266 19382 2291 1 6 . 1 1 41 41 LYS N N 41 122.049 122.049 120.665 1.384 19382 2292 1 6 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.906 0.005 19382 2293 1 6 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.387 0.321 19382 2294 1 6 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.584 0.757 19382 2295 1 6 . 1 1 41 41 LYS H H 41 8.444 8.444 8.345 0.099 19382 2296 1 6 . 1 1 42 42 ASP N N 42 123.896 123.896 121.392 2.504 19382 2297 1 6 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.601 0.084 19382 2298 1 6 . 1 1 42 42 ASP CB C 42 43.050 43.050 43.264 -0.214 19382 2299 1 6 . 1 1 42 42 ASP H H 42 8.864 8.864 8.775 0.089 19382 2300 1 6 . 1 1 43 43 ARG N N 43 126.892 126.892 122.363 4.529 19382 2301 1 6 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.229 -0.074 19382 2302 1 6 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.784 1.006 19382 2303 1 6 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.518 -0.188 19382 2304 1 6 . 1 1 43 43 ARG H H 43 8.983 8.983 8.619 0.364 19382 2305 1 6 . 1 1 44 44 GLU N N 44 117.468 117.468 118.495 -1.027 19382 2306 1 6 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.389 -0.018 19382 2307 1 6 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.465 1.218 19382 2308 1 6 . 1 1 44 44 GLU CB C 44 30.160 30.160 30.160 0.000 19382 2309 1 6 . 1 1 44 44 GLU H H 44 8.687 8.687 8.747 -0.060 19382 2310 1 6 . 1 1 45 45 THR N N 45 107.088 107.088 107.772 -0.684 19382 2311 1 6 . 1 1 45 45 THR HA H 45 4.447 4.447 4.510 -0.063 19382 2312 1 6 . 1 1 45 45 THR CA C 45 61.838 61.838 60.998 0.840 19382 2313 1 6 . 1 1 45 45 THR CB C 45 71.163 71.163 70.416 0.747 19382 2314 1 6 . 1 1 45 45 THR H H 45 8.172 8.172 7.521 0.651 19382 2315 1 6 . 1 1 46 46 ASN N N 46 117.525 117.525 117.276 0.249 19382 2316 1 6 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.477 0.019 19382 2317 1 6 . 1 1 46 46 ASN CA C 46 55.027 55.027 55.019 0.008 19382 2318 1 6 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.691 0.850 19382 2319 1 6 . 1 1 46 46 ASN H H 46 8.389 8.389 8.129 0.260 19382 2320 1 6 . 1 1 47 47 LYS N N 47 117.695 117.695 119.231 -1.536 19382 2321 1 6 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.442 0.015 19382 2322 1 6 . 1 1 47 47 LYS CA C 47 55.547 55.547 54.894 0.653 19382 2323 1 6 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.614 0.454 19382 2324 1 6 . 1 1 47 47 LYS H H 47 7.649 7.649 7.407 0.242 19382 2325 1 6 . 1 1 48 48 SER N N 48 116.260 116.260 119.257 -2.997 19382 2326 1 6 . 1 1 48 48 SER HA H 48 4.384 4.384 4.503 -0.119 19382 2327 1 6 . 1 1 48 48 SER CA C 48 58.462 58.462 59.573 -1.111 19382 2328 1 6 . 1 1 48 48 SER CB C 48 64.621 64.621 63.402 1.219 19382 2329 1 6 . 1 1 48 48 SER H H 48 8.787 8.787 8.466 0.321 19382 2330 1 6 . 1 1 49 49 ARG N N 49 124.026 124.026 125.889 -1.863 19382 2331 1 6 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.337 0.122 19382 2332 1 6 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.656 0.086 19382 2333 1 6 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.055 1.845 19382 2334 1 6 . 1 1 49 49 ARG H H 49 9.079 9.079 8.768 0.311 19382 2335 1 6 . 1 1 50 50 GLY N N 50 106.539 106.539 106.775 -0.236 19382 2336 1 6 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.256 0.592 19382 2337 1 6 . 1 1 50 50 GLY H H 50 9.178 9.178 8.643 0.535 19382 2338 1 6 . 1 1 51 51 PHE N N 51 112.056 112.056 115.466 -3.410 19382 2339 1 6 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.633 -0.337 19382 2340 1 6 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.070 1.043 19382 2341 1 6 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.630 -0.228 19382 2342 1 6 . 1 1 51 51 PHE H H 51 7.004 7.004 7.369 -0.365 19382 2343 1 6 . 1 1 52 52 ALA N N 52 120.974 120.974 119.695 1.279 19382 2344 1 6 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.490 0.349 19382 2345 1 6 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.107 -1.441 19382 2346 1 6 . 1 1 52 52 ALA CB C 52 25.592 25.592 21.714 3.878 19382 2347 1 6 . 1 1 52 52 ALA H H 52 8.832 8.832 7.487 1.345 19382 2348 1 6 . 1 1 53 53 PHE N N 53 113.680 113.680 115.356 -1.676 19382 2349 1 6 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.704 -0.031 19382 2350 1 6 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.587 -0.448 19382 2351 1 6 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.253 -1.592 19382 2352 1 6 . 1 1 53 53 PHE H H 53 8.710 8.710 7.906 0.804 19382 2353 1 6 . 1 1 54 54 VAL N N 54 124.889 124.889 118.967 5.922 19382 2354 1 6 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.726 -0.046 19382 2355 1 6 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.191 0.152 19382 2356 1 6 . 1 1 54 54 VAL H H 54 8.800 8.800 8.589 0.211 19382 2357 1 6 . 1 1 55 55 THR N N 55 123.052 123.052 123.901 -0.849 19382 2358 1 6 . 1 1 55 55 THR HA H 55 5.159 5.159 5.348 -0.189 19382 2359 1 6 . 1 1 55 55 THR CA C 55 61.912 61.912 61.236 0.676 19382 2360 1 6 . 1 1 55 55 THR CB C 55 69.698 69.698 70.211 -0.513 19382 2361 1 6 . 1 1 55 55 THR H H 55 8.943 8.943 8.952 -0.009 19382 2362 1 6 . 1 1 56 56 PHE N N 56 128.514 128.514 125.884 2.630 19382 2363 1 6 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.885 -0.070 19382 2364 1 6 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.185 1.109 19382 2365 1 6 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.404 0.262 19382 2366 1 6 . 1 1 56 56 PHE H H 56 8.917 8.917 9.370 -0.453 19382 2367 1 6 . 1 1 57 57 GLU N N 57 121.809 121.809 121.577 0.232 19382 2368 1 6 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.216 -0.264 19382 2369 1 6 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.670 0.831 19382 2370 1 6 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.436 0.115 19382 2371 1 6 . 1 1 57 57 GLU H H 57 8.240 8.240 8.781 -0.541 19382 2372 1 6 . 1 1 58 58 SER N N 58 112.478 112.478 112.625 -0.147 19382 2373 1 6 . 1 1 58 58 SER HA H 58 5.333 5.333 4.992 0.341 19382 2374 1 6 . 1 1 58 58 SER CA C 58 53.261 53.261 54.102 -0.841 19382 2375 1 6 . 1 1 58 58 SER CB C 58 64.505 64.505 64.771 -0.266 19382 2376 1 6 . 1 1 58 58 SER H H 58 9.461 9.461 7.662 1.799 19382 2377 1 6 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.507 -0.359 19382 2378 1 6 . 1 1 59 59 PRO CA C 59 65.069 65.069 64.138 0.931 19382 2379 1 6 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.973 0.429 19382 2380 1 6 . 1 1 60 60 ALA N N 60 120.882 120.882 120.555 0.327 19382 2381 1 6 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.422 -0.324 19382 2382 1 6 . 1 1 60 60 ALA CA C 60 55.355 55.355 53.058 2.297 19382 2383 1 6 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.662 -1.249 19382 2384 1 6 . 1 1 60 60 ALA H H 60 7.957 7.957 7.651 0.306 19382 2385 1 6 . 1 1 61 61 ASP N N 61 120.196 120.196 120.405 -0.209 19382 2386 1 6 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.487 -0.183 19382 2387 1 6 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.093 -0.121 19382 2388 1 6 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.526 -0.238 19382 2389 1 6 . 1 1 61 61 ASP H H 61 7.157 7.157 7.734 -0.577 19382 2390 1 6 . 1 1 62 62 ALA N N 62 119.636 119.636 121.270 -1.634 19382 2391 1 6 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.711 0.556 19382 2392 1 6 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.368 -0.001 19382 2393 1 6 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.140 0.864 19382 2394 1 6 . 1 1 62 62 ALA H H 62 6.901 6.901 7.383 -0.482 19382 2395 1 6 . 1 1 63 63 LYS N N 63 117.322 117.322 117.953 -0.631 19382 2396 1 6 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.875 0.100 19382 2397 1 6 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.719 -0.082 19382 2398 1 6 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.093 -0.047 19382 2399 1 6 . 1 1 63 63 LYS H H 63 7.605 7.605 7.815 -0.210 19382 2400 1 6 . 1 1 64 64 ASP N N 64 120.944 120.944 118.242 2.702 19382 2401 1 6 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.382 -0.018 19382 2402 1 6 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.486 1.010 19382 2403 1 6 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.905 -0.401 19382 2404 1 6 . 1 1 64 64 ASP H H 64 7.488 7.488 7.701 -0.213 19382 2405 1 6 . 1 1 65 65 ALA N N 65 122.197 122.197 120.657 1.540 19382 2406 1 6 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.679 -0.326 19382 2407 1 6 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.222 0.261 19382 2408 1 6 . 1 1 65 65 ALA CB C 65 19.852 19.852 18.997 0.855 19382 2409 1 6 . 1 1 65 65 ALA H H 65 7.806 7.806 7.180 0.626 19382 2410 1 6 . 1 1 66 66 ALA N N 66 118.722 118.722 118.817 -0.095 19382 2411 1 6 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.061 -0.202 19382 2412 1 6 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.716 1.665 19382 2413 1 6 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.544 -0.730 19382 2414 1 6 . 1 1 66 66 ALA H H 66 8.247 8.247 7.905 0.342 19382 2415 1 6 . 1 1 67 67 ARG N N 67 116.529 116.529 115.799 0.730 19382 2416 1 6 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.314 -0.208 19382 2417 1 6 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.747 2.187 19382 2418 1 6 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.497 -0.345 19382 2419 1 6 . 1 1 67 67 ARG H H 67 7.803 7.803 7.434 0.369 19382 2420 1 6 . 1 1 68 68 ASP N N 68 116.394 116.394 119.187 -2.793 19382 2421 1 6 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.658 0.074 19382 2422 1 6 . 1 1 68 68 ASP CB C 68 42.683 42.683 42.918 -0.235 19382 2423 1 6 . 1 1 68 68 ASP H H 68 7.800 7.800 8.215 -0.415 19382 2424 1 6 . 1 1 69 69 MET N N 69 111.832 111.832 117.348 -5.516 19382 2425 1 6 . 1 1 69 69 MET HA H 69 4.902 4.902 4.400 0.502 19382 2426 1 6 . 1 1 69 69 MET CA C 69 53.703 53.703 55.061 -1.358 19382 2427 1 6 . 1 1 69 69 MET CB C 69 32.130 32.130 32.456 -0.326 19382 2428 1 6 . 1 1 69 69 MET H H 69 8.203 8.203 8.078 0.125 19382 2429 1 6 . 1 1 70 70 ASN N N 70 116.507 116.507 117.957 -1.450 19382 2430 1 6 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.569 -0.110 19382 2431 1 6 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.728 2.245 19382 2432 1 6 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.172 0.600 19382 2433 1 6 . 1 1 70 70 ASN H H 70 7.724 7.724 7.656 0.068 19382 2434 1 6 . 1 1 71 71 GLY N N 71 117.038 117.038 112.919 4.119 19382 2435 1 6 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.202 0.743 19382 2436 1 6 . 1 1 71 71 GLY H H 71 9.065 9.065 8.387 0.678 19382 2437 1 6 . 1 1 72 72 LYS N N 72 120.950 120.950 120.367 0.583 19382 2438 1 6 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.553 -0.118 19382 2439 1 6 . 1 1 72 72 LYS CA C 72 55.424 55.424 55.278 0.146 19382 2440 1 6 . 1 1 72 72 LYS CB C 72 33.056 33.056 34.383 -1.327 19382 2441 1 6 . 1 1 72 72 LYS H H 72 7.949 7.949 7.633 0.316 19382 2442 1 6 . 1 1 73 73 SER N N 73 112.847 112.847 113.799 -0.952 19382 2443 1 6 . 1 1 73 73 SER HA H 73 5.076 5.076 5.034 0.042 19382 2444 1 6 . 1 1 73 73 SER CA C 73 57.821 57.821 57.149 0.672 19382 2445 1 6 . 1 1 73 73 SER CB C 73 64.481 64.481 64.630 -0.149 19382 2446 1 6 . 1 1 73 73 SER H H 73 8.078 8.078 8.365 -0.287 19382 2447 1 6 . 1 1 74 74 LEU N N 74 127.515 127.515 125.937 1.578 19382 2448 1 6 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.582 0.009 19382 2449 1 6 . 1 1 74 74 LEU CA C 74 54.810 54.810 56.412 -1.602 19382 2450 1 6 . 1 1 74 74 LEU CB C 74 44.722 44.722 42.907 1.815 19382 2451 1 6 . 1 1 74 74 LEU H H 74 9.069 9.069 8.506 0.563 19382 2452 1 6 . 1 1 75 75 ASP N N 75 128.803 128.803 115.516 13.287 19382 2453 1 6 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.740 -0.399 19382 2454 1 6 . 1 1 75 75 ASP CA C 75 55.686 55.686 53.865 1.821 19382 2455 1 6 . 1 1 75 75 ASP CB C 75 39.429 39.429 42.697 -3.268 19382 2456 1 6 . 1 1 75 75 ASP H H 75 9.565 9.565 8.278 1.287 19382 2457 1 6 . 1 1 76 76 GLY N N 76 101.959 101.959 106.957 -4.998 19382 2458 1 6 . 1 1 76 76 GLY CA C 76 45.659 45.659 45.505 0.154 19382 2459 1 6 . 1 1 76 76 GLY H H 76 8.447 8.447 7.660 0.787 19382 2460 1 6 . 1 1 77 77 LYS N N 77 120.026 120.026 120.520 -0.494 19382 2461 1 6 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.691 0.021 19382 2462 1 6 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.142 0.760 19382 2463 1 6 . 1 1 77 77 LYS H H 77 7.417 7.417 7.919 -0.502 19382 2464 1 6 . 1 1 78 78 ALA N N 78 125.190 125.190 127.229 -2.039 19382 2465 1 6 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.723 -0.186 19382 2466 1 6 . 1 1 78 78 ALA CA C 78 51.602 51.602 51.876 -0.274 19382 2467 1 6 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.439 -1.211 19382 2468 1 6 . 1 1 78 78 ALA H H 78 8.304 8.304 8.714 -0.410 19382 2469 1 6 . 1 1 79 79 ILE N N 79 119.566 119.566 116.445 3.121 19382 2470 1 6 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.204 -0.361 19382 2471 1 6 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.724 2.053 19382 2472 1 6 . 1 1 79 79 ILE CB C 79 40.554 40.554 41.868 -1.314 19382 2473 1 6 . 1 1 79 79 ILE H H 79 8.293 8.293 9.050 -0.757 19382 2474 1 6 . 1 1 80 80 LYS N N 80 123.948 123.948 121.092 2.856 19382 2475 1 6 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.074 -0.071 19382 2476 1 6 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.334 -0.006 19382 2477 1 6 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.402 -1.432 19382 2478 1 6 . 1 1 80 80 LYS H H 80 8.552 8.552 8.816 -0.264 19382 2479 1 6 . 1 1 81 81 VAL N N 81 123.950 123.950 124.555 -0.605 19382 2480 1 6 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.236 0.064 19382 2481 1 6 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.902 0.121 19382 2482 1 6 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.437 0.265 19382 2483 1 6 . 1 1 81 81 VAL H H 81 8.753 8.753 8.290 0.463 19382 2484 1 6 . 1 1 82 82 GLU N N 82 123.264 123.264 125.764 -2.500 19382 2485 1 6 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.573 0.180 19382 2486 1 6 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.972 1.001 19382 2487 1 6 . 1 1 82 82 GLU H H 82 9.060 9.060 8.236 0.824 19382 2488 1 6 . 1 1 83 83 GLN N N 83 121.972 121.972 122.988 -1.016 19382 2489 1 6 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.596 -0.258 19382 2490 1 6 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.434 0.930 19382 2491 1 6 . 1 1 83 83 GLN CB C 83 28.986 28.986 28.913 0.073 19382 2492 1 6 . 1 1 83 83 GLN H H 83 8.790 8.790 8.482 0.308 19382 2493 1 6 . 1 1 84 84 ALA N N 84 129.351 129.351 130.012 -0.661 19382 2494 1 6 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.711 0.565 19382 2495 1 6 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.086 0.776 19382 2496 1 6 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.308 -0.548 19382 2497 1 6 . 1 1 84 84 ALA H H 84 9.051 9.051 8.572 0.479 19382 2498 1 6 . 1 1 85 85 THR HA H 85 4.767 4.767 5.110 -0.343 19382 2499 1 6 . 1 1 85 85 THR CB C 85 70.557 70.557 71.418 -0.861 19382 2500 1 6 . 1 1 86 86 LYS N N 86 120.733 120.733 122.005 -1.272 19382 2501 1 6 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.272 0.188 19382 2502 1 6 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.725 0.588 19382 2503 1 6 . 1 1 86 86 LYS H H 86 8.517 8.517 8.056 0.461 19382 2504 1 6 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.439 -0.006 19382 2505 1 6 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.607 0.489 19382 2506 1 6 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.114 0.004 19382 2507 1 6 . 1 1 88 88 SER N N 88 117.293 117.293 115.449 1.844 19382 2508 1 6 . 1 1 88 88 SER HA H 88 4.262 4.262 4.325 -0.063 19382 2509 1 6 . 1 1 88 88 SER CA C 88 59.204 59.204 59.974 -0.770 19382 2510 1 6 . 1 1 88 88 SER CB C 88 63.891 63.891 63.188 0.703 19382 2511 1 6 . 1 1 88 88 SER H H 88 8.508 8.508 8.511 -0.003 19382 2512 1 6 . 1 1 89 89 PHE N N 89 120.710 120.710 116.869 3.841 19382 2513 1 6 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.909 -0.266 19382 2514 1 6 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.461 1.008 19382 2515 1 6 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.411 0.829 19382 2516 1 6 . 1 1 89 89 PHE H H 89 7.930 7.930 7.378 0.552 19382 2517 1 6 . 1 1 90 90 GLU N N 90 121.794 121.794 120.204 1.590 19382 2518 1 6 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.528 -0.241 19382 2519 1 6 . 1 1 90 90 GLU CA C 90 56.701 56.701 54.794 1.907 19382 2520 1 6 . 1 1 90 90 GLU CB C 90 30.383 30.383 32.868 -2.485 19382 2521 1 6 . 1 1 90 90 GLU H H 90 8.099 8.099 7.315 0.784 19382 2522 1 6 . 1 1 91 91 SER N N 91 116.607 116.607 116.246 0.361 19382 2523 1 6 . 1 1 91 91 SER HA H 91 4.419 4.419 4.633 -0.214 19382 2524 1 6 . 1 1 91 91 SER CA C 91 59.090 59.090 57.761 1.329 19382 2525 1 6 . 1 1 91 91 SER CB C 91 64.011 64.011 63.222 0.789 19382 2526 1 6 . 1 1 91 91 SER H H 91 8.194 8.194 8.597 -0.403 19382 2527 1 6 . 1 1 92 92 GLY N N 92 110.531 110.531 109.729 0.802 19382 2528 1 6 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.531 -0.038 19382 2529 1 6 . 1 1 92 92 GLY H H 92 8.395 8.395 8.219 0.176 19382 2530 1 6 . 1 1 93 93 ARG N N 93 120.515 120.515 117.177 3.338 19382 2531 1 6 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.211 0.187 19382 2532 1 6 . 1 1 93 93 ARG CA C 93 56.203 56.203 56.399 -0.196 19382 2533 1 6 . 1 1 93 93 ARG CB C 93 31.056 31.056 30.304 0.752 19382 2534 1 6 . 1 1 93 93 ARG H H 93 8.046 8.046 8.339 -0.293 19382 2535 1 6 . 1 1 94 94 ARG N N 94 123.050 123.050 119.548 3.502 19382 2536 1 6 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.568 -0.160 19382 2537 1 6 . 1 1 94 94 ARG CB C 94 31.051 31.051 32.760 -1.709 19382 2538 1 6 . 1 1 94 94 ARG H H 94 8.403 8.403 7.825 0.578 19382 2539 1 7 . 1 1 2 2 VAL N N 2 120.711 120.711 121.696 -0.985 19382 2540 1 7 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.103 0.137 19382 2541 1 7 . 1 1 2 2 VAL CA C 2 61.832 61.832 63.284 -1.452 19382 2542 1 7 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.222 1.099 19382 2543 1 7 . 1 1 2 2 VAL H H 2 8.063 8.063 8.097 -0.034 19382 2544 1 7 . 1 1 3 3 GLU N N 3 124.381 124.381 121.509 2.872 19382 2545 1 7 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.321 0.111 19382 2546 1 7 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.907 -0.247 19382 2547 1 7 . 1 1 3 3 GLU CB C 3 31.558 31.558 30.972 0.586 19382 2548 1 7 . 1 1 3 3 GLU H H 3 8.589 8.589 8.007 0.582 19382 2549 1 7 . 1 1 4 4 ALA N N 4 124.910 124.910 126.605 -1.695 19382 2550 1 7 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.738 -0.454 19382 2551 1 7 . 1 1 4 4 ALA CA C 4 53.537 53.537 50.908 2.629 19382 2552 1 7 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.727 -1.192 19382 2553 1 7 . 1 1 4 4 ALA H H 4 8.442 8.442 8.384 0.058 19382 2554 1 7 . 1 1 5 5 ASP N N 5 119.622 119.622 124.580 -4.958 19382 2555 1 7 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.592 0.051 19382 2556 1 7 . 1 1 5 5 ASP CB C 5 42.674 42.674 42.404 0.270 19382 2557 1 7 . 1 1 5 5 ASP H H 5 8.363 8.363 8.149 0.214 19382 2558 1 7 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.298 0.353 19382 2559 1 7 . 1 1 7 7 PRO CA C 7 64.065 64.065 64.038 0.027 19382 2560 1 7 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.700 0.224 19382 2561 1 7 . 1 1 8 8 GLY N N 8 110.020 110.020 111.501 -1.481 19382 2562 1 7 . 1 1 8 8 GLY CA C 8 45.373 45.373 44.998 0.375 19382 2563 1 7 . 1 1 8 8 GLY H H 8 8.879 8.879 8.332 0.547 19382 2564 1 7 . 1 1 9 9 LYS N N 9 121.894 121.894 123.790 -1.896 19382 2565 1 7 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.327 -0.190 19382 2566 1 7 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.608 0.420 19382 2567 1 7 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.271 0.917 19382 2568 1 7 . 1 1 9 9 LYS H H 9 8.011 8.011 7.936 0.075 19382 2569 1 7 . 1 1 10 10 LEU N N 10 127.289 127.289 126.562 0.727 19382 2570 1 7 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.351 -0.371 19382 2571 1 7 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.077 0.417 19382 2572 1 7 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.722 -1.228 19382 2573 1 7 . 1 1 10 10 LEU H H 10 9.536 9.536 9.109 0.427 19382 2574 1 7 . 1 1 11 11 PHE N N 11 123.068 123.068 123.000 0.068 19382 2575 1 7 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.764 -0.346 19382 2576 1 7 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.748 1.420 19382 2577 1 7 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.227 -1.021 19382 2578 1 7 . 1 1 11 11 PHE H H 11 9.386 9.386 9.307 0.079 19382 2579 1 7 . 1 1 12 12 ILE N N 12 127.476 127.476 126.990 0.486 19382 2580 1 7 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.671 0.142 19382 2581 1 7 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.551 2.240 19382 2582 1 7 . 1 1 12 12 ILE H H 12 7.949 7.949 8.120 -0.171 19382 2583 1 7 . 1 1 13 13 GLY N N 13 110.661 110.661 110.122 0.539 19382 2584 1 7 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.436 0.314 19382 2585 1 7 . 1 1 13 13 GLY H H 13 8.939 8.939 7.474 1.465 19382 2586 1 7 . 1 1 14 14 GLY N N 14 107.213 107.213 111.634 -4.421 19382 2587 1 7 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.785 0.991 19382 2588 1 7 . 1 1 14 14 GLY H H 14 8.126 8.126 8.669 -0.543 19382 2589 1 7 . 1 1 15 15 LEU N N 15 115.288 115.288 119.554 -4.266 19382 2590 1 7 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.121 -0.064 19382 2591 1 7 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.114 -0.475 19382 2592 1 7 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.218 1.077 19382 2593 1 7 . 1 1 15 15 LEU H H 15 7.621 7.621 7.782 -0.161 19382 2594 1 7 . 1 1 16 16 ASN N N 16 120.674 120.674 118.327 2.347 19382 2595 1 7 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.663 -0.090 19382 2596 1 7 . 1 1 16 16 ASN CB C 16 38.631 38.631 40.054 -1.423 19382 2597 1 7 . 1 1 16 16 ASN H H 16 9.597 9.597 8.231 1.366 19382 2598 1 7 . 1 1 17 17 THR N N 17 122.538 122.538 112.811 9.727 19382 2599 1 7 . 1 1 17 17 THR HA H 17 3.900 3.900 4.277 -0.377 19382 2600 1 7 . 1 1 17 17 THR CA C 17 65.542 65.542 63.975 1.567 19382 2601 1 7 . 1 1 17 17 THR CB C 17 68.594 68.594 68.799 -0.205 19382 2602 1 7 . 1 1 17 17 THR H H 17 8.807 8.807 8.652 0.155 19382 2603 1 7 . 1 1 18 18 GLU N N 18 118.149 118.149 119.023 -0.874 19382 2604 1 7 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.519 -0.158 19382 2605 1 7 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.860 0.553 19382 2606 1 7 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.342 0.572 19382 2607 1 7 . 1 1 18 18 GLU H H 18 8.757 8.757 8.423 0.334 19382 2608 1 7 . 1 1 19 19 THR N N 19 119.146 119.146 117.745 1.401 19382 2609 1 7 . 1 1 19 19 THR HA H 19 4.088 4.088 4.235 -0.147 19382 2610 1 7 . 1 1 19 19 THR CA C 19 64.959 64.959 63.830 1.129 19382 2611 1 7 . 1 1 19 19 THR CB C 19 68.536 68.536 69.720 -1.184 19382 2612 1 7 . 1 1 19 19 THR H H 19 7.627 7.627 7.360 0.267 19382 2613 1 7 . 1 1 20 20 ASN N N 20 126.361 126.361 122.656 3.705 19382 2614 1 7 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.956 -0.040 19382 2615 1 7 . 1 1 20 20 ASN CA C 20 50.998 50.998 52.015 -1.017 19382 2616 1 7 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.360 -1.006 19382 2617 1 7 . 1 1 20 20 ASN H H 20 8.076 8.076 8.337 -0.261 19382 2618 1 7 . 1 1 21 21 GLU N N 21 118.317 118.317 121.411 -3.094 19382 2619 1 7 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.022 -0.301 19382 2620 1 7 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.183 1.637 19382 2621 1 7 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.564 -0.693 19382 2622 1 7 . 1 1 21 21 GLU H H 21 10.233 10.233 8.729 1.504 19382 2623 1 7 . 1 1 22 22 LYS N N 22 118.930 118.930 119.252 -0.322 19382 2624 1 7 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.116 0.048 19382 2625 1 7 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.606 0.189 19382 2626 1 7 . 1 1 22 22 LYS CB C 22 31.727 31.727 31.950 -0.223 19382 2627 1 7 . 1 1 22 22 LYS H H 22 7.920 7.920 8.402 -0.482 19382 2628 1 7 . 1 1 23 23 ALA N N 23 123.201 123.201 121.048 2.153 19382 2629 1 7 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.277 0.046 19382 2630 1 7 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.481 0.540 19382 2631 1 7 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.500 0.523 19382 2632 1 7 . 1 1 23 23 ALA H H 23 7.915 7.915 7.498 0.417 19382 2633 1 7 . 1 1 24 24 LEU N N 24 116.213 116.213 118.665 -2.452 19382 2634 1 7 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.316 -0.149 19382 2635 1 7 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.197 0.898 19382 2636 1 7 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.402 0.056 19382 2637 1 7 . 1 1 24 24 LEU H H 24 7.760 7.760 7.268 0.492 19382 2638 1 7 . 1 1 25 25 GLU N N 25 119.637 119.637 118.754 0.883 19382 2639 1 7 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.067 -0.304 19382 2640 1 7 . 1 1 25 25 GLU CA C 25 60.215 60.215 59.013 1.202 19382 2641 1 7 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.693 0.156 19382 2642 1 7 . 1 1 25 25 GLU H H 25 8.545 8.545 8.741 -0.196 19382 2643 1 7 . 1 1 26 26 ALA N N 26 121.001 121.001 120.446 0.555 19382 2644 1 7 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.238 -0.040 19382 2645 1 7 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.362 0.719 19382 2646 1 7 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.917 -0.498 19382 2647 1 7 . 1 1 26 26 ALA H H 26 7.975 7.975 7.480 0.495 19382 2648 1 7 . 1 1 27 27 VAL N N 27 115.732 115.732 116.193 -0.461 19382 2649 1 7 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.948 -0.005 19382 2650 1 7 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.330 0.917 19382 2651 1 7 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.790 -0.036 19382 2652 1 7 . 1 1 27 27 VAL H H 27 7.817 7.817 7.473 0.344 19382 2653 1 7 . 1 1 28 28 PHE N N 28 115.329 115.329 117.804 -2.475 19382 2654 1 7 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.985 -0.343 19382 2655 1 7 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.334 3.368 19382 2656 1 7 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.429 -1.145 19382 2657 1 7 . 1 1 28 28 PHE H H 28 8.607 8.607 7.740 0.867 19382 2658 1 7 . 1 1 29 29 GLY N N 29 108.306 108.306 107.426 0.880 19382 2659 1 7 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.660 0.745 19382 2660 1 7 . 1 1 29 29 GLY H H 29 8.425 8.425 7.773 0.652 19382 2661 1 7 . 1 1 30 30 LYS N N 30 117.374 117.374 118.812 -1.438 19382 2662 1 7 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.069 0.027 19382 2663 1 7 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.501 0.392 19382 2664 1 7 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.741 0.255 19382 2665 1 7 . 1 1 30 30 LYS H H 30 6.970 6.970 7.733 -0.763 19382 2666 1 7 . 1 1 31 31 TYR N N 31 115.689 115.689 117.021 -1.332 19382 2667 1 7 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.790 -0.495 19382 2668 1 7 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.642 1.171 19382 2669 1 7 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.836 -2.043 19382 2670 1 7 . 1 1 31 31 TYR H H 31 7.741 7.741 7.596 0.145 19382 2671 1 7 . 1 1 32 32 GLY N N 32 104.475 104.475 104.505 -0.030 19382 2672 1 7 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.434 -0.838 19382 2673 1 7 . 1 1 32 32 GLY H H 32 7.401 7.401 7.512 -0.111 19382 2674 1 7 . 1 1 33 33 ARG N N 33 116.936 116.936 121.292 -4.356 19382 2675 1 7 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.325 -0.043 19382 2676 1 7 . 1 1 33 33 ARG CA C 33 57.903 57.903 56.279 1.624 19382 2677 1 7 . 1 1 33 33 ARG CB C 33 30.754 30.754 30.917 -0.163 19382 2678 1 7 . 1 1 33 33 ARG H H 33 8.286 8.286 8.546 -0.260 19382 2679 1 7 . 1 1 34 34 ILE N N 34 128.703 128.703 126.498 2.205 19382 2680 1 7 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.946 0.082 19382 2681 1 7 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.567 -1.716 19382 2682 1 7 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.590 1.347 19382 2683 1 7 . 1 1 34 34 ILE H H 34 8.797 8.797 8.423 0.374 19382 2684 1 7 . 1 1 35 35 VAL N N 35 122.207 122.207 123.368 -1.161 19382 2685 1 7 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.327 -0.050 19382 2686 1 7 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.693 -0.305 19382 2687 1 7 . 1 1 35 35 VAL CB C 35 33.054 33.054 33.217 -0.163 19382 2688 1 7 . 1 1 35 35 VAL H H 35 8.859 8.859 8.822 0.037 19382 2689 1 7 . 1 1 36 36 GLU N N 36 118.922 118.922 119.218 -0.296 19382 2690 1 7 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.531 0.004 19382 2691 1 7 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.985 0.859 19382 2692 1 7 . 1 1 36 36 GLU CB C 36 34.132 34.132 32.900 1.232 19382 2693 1 7 . 1 1 36 36 GLU H H 36 7.228 7.228 7.635 -0.407 19382 2694 1 7 . 1 1 37 37 VAL N N 37 126.068 126.068 123.086 2.982 19382 2695 1 7 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.388 0.032 19382 2696 1 7 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.447 0.963 19382 2697 1 7 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.837 -0.929 19382 2698 1 7 . 1 1 37 37 VAL H H 37 8.607 8.607 8.551 0.056 19382 2699 1 7 . 1 1 38 38 LEU N N 38 129.638 129.638 125.827 3.811 19382 2700 1 7 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.832 -0.040 19382 2701 1 7 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.800 -0.405 19382 2702 1 7 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.552 -1.014 19382 2703 1 7 . 1 1 38 38 LEU H H 38 9.052 9.052 8.970 0.082 19382 2704 1 7 . 1 1 39 39 LEU N N 39 128.599 128.599 123.256 5.343 19382 2705 1 7 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.530 -0.130 19382 2706 1 7 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.399 -0.402 19382 2707 1 7 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.576 -0.344 19382 2708 1 7 . 1 1 39 39 LEU H H 39 9.030 9.030 8.357 0.673 19382 2709 1 7 . 1 1 40 40 MET N N 40 125.937 125.937 125.222 0.715 19382 2710 1 7 . 1 1 40 40 MET HA H 40 4.595 4.595 4.764 -0.169 19382 2711 1 7 . 1 1 40 40 MET CA C 40 54.617 54.617 53.211 1.406 19382 2712 1 7 . 1 1 40 40 MET CB C 40 29.778 29.778 32.531 -2.752 19382 2713 1 7 . 1 1 40 40 MET H H 40 7.848 7.848 8.142 -0.294 19382 2714 1 7 . 1 1 41 41 LYS N N 41 122.049 122.049 119.947 2.102 19382 2715 1 7 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.872 0.039 19382 2716 1 7 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.505 0.203 19382 2717 1 7 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.621 0.721 19382 2718 1 7 . 1 1 41 41 LYS H H 41 8.444 8.444 8.255 0.189 19382 2719 1 7 . 1 1 42 42 ASP N N 42 123.896 123.896 121.300 2.596 19382 2720 1 7 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.551 0.134 19382 2721 1 7 . 1 1 42 42 ASP CB C 42 43.050 43.050 43.201 -0.151 19382 2722 1 7 . 1 1 42 42 ASP H H 42 8.864 8.864 8.877 -0.013 19382 2723 1 7 . 1 1 43 43 ARG N N 43 126.892 126.892 120.620 6.272 19382 2724 1 7 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.444 -0.289 19382 2725 1 7 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.222 1.568 19382 2726 1 7 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.883 -0.553 19382 2727 1 7 . 1 1 43 43 ARG H H 43 8.983 8.983 8.496 0.487 19382 2728 1 7 . 1 1 44 44 GLU N N 44 117.468 117.468 119.421 -1.953 19382 2729 1 7 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.444 -0.073 19382 2730 1 7 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.377 1.306 19382 2731 1 7 . 1 1 44 44 GLU CB C 44 30.160 30.160 30.959 -0.798 19382 2732 1 7 . 1 1 44 44 GLU H H 44 8.687 8.687 8.996 -0.309 19382 2733 1 7 . 1 1 45 45 THR N N 45 107.088 107.088 109.093 -2.005 19382 2734 1 7 . 1 1 45 45 THR HA H 45 4.447 4.447 4.490 -0.043 19382 2735 1 7 . 1 1 45 45 THR CA C 45 61.838 61.838 61.600 0.238 19382 2736 1 7 . 1 1 45 45 THR CB C 45 71.163 71.163 70.524 0.639 19382 2737 1 7 . 1 1 45 45 THR H H 45 8.172 8.172 7.880 0.292 19382 2738 1 7 . 1 1 46 46 ASN N N 46 117.525 117.525 115.886 1.639 19382 2739 1 7 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.498 -0.002 19382 2740 1 7 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.952 0.076 19382 2741 1 7 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.589 0.952 19382 2742 1 7 . 1 1 46 46 ASN H H 46 8.389 8.389 8.507 -0.118 19382 2743 1 7 . 1 1 47 47 LYS N N 47 117.695 117.695 119.387 -1.692 19382 2744 1 7 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.424 0.033 19382 2745 1 7 . 1 1 47 47 LYS CA C 47 55.547 55.547 54.875 0.672 19382 2746 1 7 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.457 0.611 19382 2747 1 7 . 1 1 47 47 LYS H H 47 7.649 7.649 7.444 0.205 19382 2748 1 7 . 1 1 48 48 SER N N 48 116.260 116.260 119.330 -3.070 19382 2749 1 7 . 1 1 48 48 SER HA H 48 4.384 4.384 4.439 -0.055 19382 2750 1 7 . 1 1 48 48 SER CA C 48 58.462 58.462 59.712 -1.250 19382 2751 1 7 . 1 1 48 48 SER CB C 48 64.621 64.621 63.412 1.209 19382 2752 1 7 . 1 1 48 48 SER H H 48 8.787 8.787 8.886 -0.099 19382 2753 1 7 . 1 1 49 49 ARG N N 49 124.026 124.026 124.927 -0.901 19382 2754 1 7 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.298 0.161 19382 2755 1 7 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.389 0.352 19382 2756 1 7 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.217 1.683 19382 2757 1 7 . 1 1 49 49 ARG H H 49 9.079 9.079 8.725 0.354 19382 2758 1 7 . 1 1 50 50 GLY N N 50 106.539 106.539 106.687 -0.148 19382 2759 1 7 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.373 0.475 19382 2760 1 7 . 1 1 50 50 GLY H H 50 9.178 9.178 8.616 0.562 19382 2761 1 7 . 1 1 51 51 PHE N N 51 112.056 112.056 114.941 -2.885 19382 2762 1 7 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.640 -0.344 19382 2763 1 7 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.189 0.924 19382 2764 1 7 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.682 -0.280 19382 2765 1 7 . 1 1 51 51 PHE H H 51 7.004 7.004 7.214 -0.210 19382 2766 1 7 . 1 1 52 52 ALA N N 52 120.974 120.974 119.885 1.089 19382 2767 1 7 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.898 -0.059 19382 2768 1 7 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.074 -1.408 19382 2769 1 7 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.024 3.567 19382 2770 1 7 . 1 1 52 52 ALA H H 52 8.832 8.832 7.614 1.218 19382 2771 1 7 . 1 1 53 53 PHE N N 53 113.680 113.680 114.998 -1.318 19382 2772 1 7 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.711 -0.038 19382 2773 1 7 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.869 -0.729 19382 2774 1 7 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.261 -1.600 19382 2775 1 7 . 1 1 53 53 PHE H H 53 8.710 8.710 7.991 0.719 19382 2776 1 7 . 1 1 54 54 VAL N N 54 124.889 124.889 119.768 5.121 19382 2777 1 7 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.699 -0.019 19382 2778 1 7 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.928 -0.585 19382 2779 1 7 . 1 1 54 54 VAL H H 54 8.800 8.800 8.560 0.240 19382 2780 1 7 . 1 1 55 55 THR N N 55 123.052 123.052 126.067 -3.015 19382 2781 1 7 . 1 1 55 55 THR HA H 55 5.159 5.159 5.258 -0.099 19382 2782 1 7 . 1 1 55 55 THR CA C 55 61.912 61.912 61.502 0.410 19382 2783 1 7 . 1 1 55 55 THR CB C 55 69.698 69.698 69.941 -0.242 19382 2784 1 7 . 1 1 55 55 THR H H 55 8.943 8.943 8.989 -0.046 19382 2785 1 7 . 1 1 56 56 PHE N N 56 128.514 128.514 126.121 2.393 19382 2786 1 7 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.881 -0.066 19382 2787 1 7 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.364 0.930 19382 2788 1 7 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.380 0.286 19382 2789 1 7 . 1 1 56 56 PHE H H 56 8.917 8.917 9.425 -0.508 19382 2790 1 7 . 1 1 57 57 GLU N N 57 121.809 121.809 121.728 0.081 19382 2791 1 7 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.246 -0.294 19382 2792 1 7 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.359 1.143 19382 2793 1 7 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.502 0.049 19382 2794 1 7 . 1 1 57 57 GLU H H 57 8.240 8.240 8.672 -0.432 19382 2795 1 7 . 1 1 58 58 SER N N 58 112.478 112.478 112.959 -0.481 19382 2796 1 7 . 1 1 58 58 SER HA H 58 5.333 5.333 5.008 0.325 19382 2797 1 7 . 1 1 58 58 SER CA C 58 53.261 53.261 54.211 -0.950 19382 2798 1 7 . 1 1 58 58 SER CB C 58 64.505 64.505 64.679 -0.174 19382 2799 1 7 . 1 1 58 58 SER H H 58 9.461 9.461 7.639 1.822 19382 2800 1 7 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.582 -0.434 19382 2801 1 7 . 1 1 59 59 PRO CA C 59 65.069 65.069 63.920 1.149 19382 2802 1 7 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.932 0.470 19382 2803 1 7 . 1 1 60 60 ALA N N 60 120.882 120.882 121.114 -0.232 19382 2804 1 7 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.430 -0.332 19382 2805 1 7 . 1 1 60 60 ALA CA C 60 55.355 55.355 53.001 2.354 19382 2806 1 7 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.619 -1.206 19382 2807 1 7 . 1 1 60 60 ALA H H 60 7.957 7.957 7.589 0.368 19382 2808 1 7 . 1 1 61 61 ASP N N 61 120.196 120.196 120.425 -0.229 19382 2809 1 7 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.480 -0.176 19382 2810 1 7 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.119 -0.147 19382 2811 1 7 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.503 -0.215 19382 2812 1 7 . 1 1 61 61 ASP H H 61 7.157 7.157 7.775 -0.618 19382 2813 1 7 . 1 1 62 62 ALA N N 62 119.636 119.636 121.170 -1.534 19382 2814 1 7 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.665 0.602 19382 2815 1 7 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.449 -0.082 19382 2816 1 7 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.167 0.837 19382 2817 1 7 . 1 1 62 62 ALA H H 62 6.901 6.901 7.280 -0.379 19382 2818 1 7 . 1 1 63 63 LYS N N 63 117.322 117.322 118.514 -1.192 19382 2819 1 7 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.856 0.119 19382 2820 1 7 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.399 0.239 19382 2821 1 7 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.144 -0.098 19382 2822 1 7 . 1 1 63 63 LYS H H 63 7.605 7.605 7.735 -0.130 19382 2823 1 7 . 1 1 64 64 ASP N N 64 120.944 120.944 118.138 2.806 19382 2824 1 7 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.386 -0.022 19382 2825 1 7 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.513 0.982 19382 2826 1 7 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.933 -0.429 19382 2827 1 7 . 1 1 64 64 ASP H H 64 7.488 7.488 7.711 -0.223 19382 2828 1 7 . 1 1 65 65 ALA N N 65 122.197 122.197 120.503 1.694 19382 2829 1 7 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.824 -0.471 19382 2830 1 7 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.161 0.322 19382 2831 1 7 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.024 0.828 19382 2832 1 7 . 1 1 65 65 ALA H H 65 7.806 7.806 7.119 0.687 19382 2833 1 7 . 1 1 66 66 ALA N N 66 118.722 118.722 118.833 -0.111 19382 2834 1 7 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.087 -0.228 19382 2835 1 7 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.660 1.721 19382 2836 1 7 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.493 -0.679 19382 2837 1 7 . 1 1 66 66 ALA H H 66 8.247 8.247 7.810 0.437 19382 2838 1 7 . 1 1 67 67 ARG N N 67 116.529 116.529 115.323 1.206 19382 2839 1 7 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.339 -0.233 19382 2840 1 7 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.804 2.130 19382 2841 1 7 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.663 -0.511 19382 2842 1 7 . 1 1 67 67 ARG H H 67 7.803 7.803 7.433 0.370 19382 2843 1 7 . 1 1 68 68 ASP N N 68 116.394 116.394 119.070 -2.676 19382 2844 1 7 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.741 -0.009 19382 2845 1 7 . 1 1 68 68 ASP CB C 68 42.683 42.683 43.276 -0.593 19382 2846 1 7 . 1 1 68 68 ASP H H 68 7.800 7.800 7.907 -0.107 19382 2847 1 7 . 1 1 69 69 MET N N 69 111.832 111.832 117.063 -5.231 19382 2848 1 7 . 1 1 69 69 MET HA H 69 4.902 4.902 4.443 0.459 19382 2849 1 7 . 1 1 69 69 MET CA C 69 53.703 53.703 54.901 -1.198 19382 2850 1 7 . 1 1 69 69 MET CB C 69 32.130 32.130 32.234 -0.104 19382 2851 1 7 . 1 1 69 69 MET H H 69 8.203 8.203 8.092 0.111 19382 2852 1 7 . 1 1 70 70 ASN N N 70 116.507 116.507 117.593 -1.086 19382 2853 1 7 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.512 -0.053 19382 2854 1 7 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.073 2.900 19382 2855 1 7 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.751 0.021 19382 2856 1 7 . 1 1 70 70 ASN H H 70 7.724 7.724 7.628 0.096 19382 2857 1 7 . 1 1 71 71 GLY N N 71 117.038 117.038 113.551 3.487 19382 2858 1 7 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.851 0.094 19382 2859 1 7 . 1 1 71 71 GLY H H 71 9.065 9.065 8.263 0.802 19382 2860 1 7 . 1 1 72 72 LYS N N 72 120.950 120.950 120.603 0.347 19382 2861 1 7 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.570 -0.135 19382 2862 1 7 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.834 0.590 19382 2863 1 7 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.620 -0.564 19382 2864 1 7 . 1 1 72 72 LYS H H 72 7.949 7.949 7.595 0.354 19382 2865 1 7 . 1 1 73 73 SER N N 73 112.847 112.847 113.277 -0.430 19382 2866 1 7 . 1 1 73 73 SER HA H 73 5.076 5.076 5.144 -0.068 19382 2867 1 7 . 1 1 73 73 SER CA C 73 57.821 57.821 56.643 1.178 19382 2868 1 7 . 1 1 73 73 SER CB C 73 64.481 64.481 64.918 -0.437 19382 2869 1 7 . 1 1 73 73 SER H H 73 8.078 8.078 8.388 -0.310 19382 2870 1 7 . 1 1 74 74 LEU N N 74 127.515 127.515 124.245 3.270 19382 2871 1 7 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.722 -0.131 19382 2872 1 7 . 1 1 74 74 LEU CA C 74 54.810 54.810 53.685 1.125 19382 2873 1 7 . 1 1 74 74 LEU CB C 74 44.722 44.722 45.116 -0.394 19382 2874 1 7 . 1 1 74 74 LEU H H 74 9.069 9.069 8.768 0.301 19382 2875 1 7 . 1 1 75 75 ASP N N 75 128.803 128.803 124.382 4.421 19382 2876 1 7 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.247 0.094 19382 2877 1 7 . 1 1 75 75 ASP CA C 75 55.686 55.686 56.181 -0.495 19382 2878 1 7 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.895 -1.466 19382 2879 1 7 . 1 1 75 75 ASP H H 75 9.565 9.565 9.183 0.382 19382 2880 1 7 . 1 1 76 76 GLY N N 76 101.959 101.959 104.580 -2.621 19382 2881 1 7 . 1 1 76 76 GLY CA C 76 45.659 45.659 44.927 0.732 19382 2882 1 7 . 1 1 76 76 GLY H H 76 8.447 8.447 8.104 0.343 19382 2883 1 7 . 1 1 77 77 LYS N N 77 120.026 120.026 122.273 -2.247 19382 2884 1 7 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.747 -0.035 19382 2885 1 7 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.568 0.334 19382 2886 1 7 . 1 1 77 77 LYS H H 77 7.417 7.417 8.135 -0.718 19382 2887 1 7 . 1 1 78 78 ALA N N 78 125.190 125.190 127.268 -2.078 19382 2888 1 7 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.847 -0.310 19382 2889 1 7 . 1 1 78 78 ALA CA C 78 51.602 51.602 52.056 -0.454 19382 2890 1 7 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.449 -1.221 19382 2891 1 7 . 1 1 78 78 ALA H H 78 8.304 8.304 8.691 -0.387 19382 2892 1 7 . 1 1 79 79 ILE N N 79 119.566 119.566 115.877 3.689 19382 2893 1 7 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.253 -0.410 19382 2894 1 7 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.764 2.013 19382 2895 1 7 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.132 -1.578 19382 2896 1 7 . 1 1 79 79 ILE H H 79 8.293 8.293 8.771 -0.478 19382 2897 1 7 . 1 1 80 80 LYS N N 80 123.948 123.948 120.502 3.446 19382 2898 1 7 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.065 -0.062 19382 2899 1 7 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.200 0.128 19382 2900 1 7 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.420 -1.450 19382 2901 1 7 . 1 1 80 80 LYS H H 80 8.552 8.552 8.682 -0.130 19382 2902 1 7 . 1 1 81 81 VAL N N 81 123.950 123.950 124.910 -0.960 19382 2903 1 7 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.199 0.101 19382 2904 1 7 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.840 0.183 19382 2905 1 7 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.624 0.077 19382 2906 1 7 . 1 1 81 81 VAL H H 81 8.753 8.753 8.668 0.085 19382 2907 1 7 . 1 1 82 82 GLU N N 82 123.264 123.264 124.224 -0.960 19382 2908 1 7 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.660 0.093 19382 2909 1 7 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.621 1.352 19382 2910 1 7 . 1 1 82 82 GLU H H 82 9.060 9.060 8.346 0.714 19382 2911 1 7 . 1 1 83 83 GLN N N 83 121.972 121.972 122.399 -0.427 19382 2912 1 7 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.542 -0.204 19382 2913 1 7 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.571 0.793 19382 2914 1 7 . 1 1 83 83 GLN CB C 83 28.986 28.986 28.967 0.019 19382 2915 1 7 . 1 1 83 83 GLN H H 83 8.790 8.790 8.448 0.342 19382 2916 1 7 . 1 1 84 84 ALA N N 84 129.351 129.351 130.076 -0.725 19382 2917 1 7 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.642 0.634 19382 2918 1 7 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.293 0.569 19382 2919 1 7 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.802 -1.041 19382 2920 1 7 . 1 1 84 84 ALA H H 84 9.051 9.051 8.454 0.597 19382 2921 1 7 . 1 1 85 85 THR HA H 85 4.767 4.767 4.666 0.101 19382 2922 1 7 . 1 1 85 85 THR CB C 85 70.557 70.557 71.240 -0.683 19382 2923 1 7 . 1 1 86 86 LYS N N 86 120.733 120.733 121.491 -0.758 19382 2924 1 7 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.409 0.051 19382 2925 1 7 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.802 0.511 19382 2926 1 7 . 1 1 86 86 LYS H H 86 8.517 8.517 8.483 0.034 19382 2927 1 7 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.513 -0.080 19382 2928 1 7 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.375 0.721 19382 2929 1 7 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.455 -0.337 19382 2930 1 7 . 1 1 88 88 SER N N 88 117.293 117.293 114.351 2.942 19382 2931 1 7 . 1 1 88 88 SER HA H 88 4.262 4.262 4.389 -0.127 19382 2932 1 7 . 1 1 88 88 SER CA C 88 59.204 59.204 59.732 -0.528 19382 2933 1 7 . 1 1 88 88 SER CB C 88 63.891 63.891 62.905 0.986 19382 2934 1 7 . 1 1 88 88 SER H H 88 8.508 8.508 8.757 -0.249 19382 2935 1 7 . 1 1 89 89 PHE N N 89 120.710 120.710 118.518 2.192 19382 2936 1 7 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.987 -0.344 19382 2937 1 7 . 1 1 89 89 PHE CA C 89 57.469 57.469 55.585 1.884 19382 2938 1 7 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.349 0.891 19382 2939 1 7 . 1 1 89 89 PHE H H 89 7.930 7.930 7.930 0.000 19382 2940 1 7 . 1 1 90 90 GLU N N 90 121.794 121.794 121.068 0.726 19382 2941 1 7 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.432 -0.145 19382 2942 1 7 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.056 1.645 19382 2943 1 7 . 1 1 90 90 GLU CB C 90 30.383 30.383 31.758 -1.375 19382 2944 1 7 . 1 1 90 90 GLU H H 90 8.099 8.099 7.421 0.678 19382 2945 1 7 . 1 1 91 91 SER N N 91 116.607 116.607 119.316 -2.709 19382 2946 1 7 . 1 1 91 91 SER HA H 91 4.419 4.419 4.479 -0.060 19382 2947 1 7 . 1 1 91 91 SER CA C 91 59.090 59.090 58.434 0.656 19382 2948 1 7 . 1 1 91 91 SER CB C 91 64.011 64.011 63.076 0.935 19382 2949 1 7 . 1 1 91 91 SER H H 91 8.194 8.194 8.753 -0.559 19382 2950 1 7 . 1 1 92 92 GLY N N 92 110.531 110.531 109.288 1.243 19382 2951 1 7 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.478 0.015 19382 2952 1 7 . 1 1 92 92 GLY H H 92 8.395 8.395 8.585 -0.190 19382 2953 1 7 . 1 1 93 93 ARG N N 93 120.515 120.515 117.726 2.789 19382 2954 1 7 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.244 0.154 19382 2955 1 7 . 1 1 93 93 ARG CA C 93 56.203 56.203 56.652 -0.449 19382 2956 1 7 . 1 1 93 93 ARG CB C 93 31.056 31.056 29.887 1.169 19382 2957 1 7 . 1 1 93 93 ARG H H 93 8.046 8.046 7.930 0.116 19382 2958 1 7 . 1 1 94 94 ARG N N 94 123.050 123.050 118.837 4.213 19382 2959 1 7 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.540 -0.132 19382 2960 1 7 . 1 1 94 94 ARG CB C 94 31.051 31.051 31.576 -0.525 19382 2961 1 7 . 1 1 94 94 ARG H H 94 8.403 8.403 7.625 0.778 19382 2962 1 8 . 1 1 2 2 VAL N N 2 120.711 120.711 125.482 -4.771 19382 2963 1 8 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.487 -0.247 19382 2964 1 8 . 1 1 2 2 VAL CA C 2 61.832 61.832 61.953 -0.121 19382 2965 1 8 . 1 1 2 2 VAL CB C 2 33.321 33.321 33.432 -0.111 19382 2966 1 8 . 1 1 2 2 VAL H H 2 8.063 8.063 8.337 -0.274 19382 2967 1 8 . 1 1 3 3 GLU N N 3 124.381 124.381 126.747 -2.366 19382 2968 1 8 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.742 -0.310 19382 2969 1 8 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.611 0.049 19382 2970 1 8 . 1 1 3 3 GLU CB C 3 31.558 31.558 31.270 0.288 19382 2971 1 8 . 1 1 3 3 GLU H H 3 8.589 8.589 8.605 -0.016 19382 2972 1 8 . 1 1 4 4 ALA N N 4 124.910 124.910 126.093 -1.183 19382 2973 1 8 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.541 -0.257 19382 2974 1 8 . 1 1 4 4 ALA CA C 4 53.537 53.537 51.711 1.826 19382 2975 1 8 . 1 1 4 4 ALA CB C 4 19.535 19.535 21.490 -1.955 19382 2976 1 8 . 1 1 4 4 ALA H H 4 8.442 8.442 8.325 0.117 19382 2977 1 8 . 1 1 5 5 ASP N N 5 119.622 119.622 126.840 -7.218 19382 2978 1 8 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.580 0.063 19382 2979 1 8 . 1 1 5 5 ASP CB C 5 42.674 42.674 39.841 2.833 19382 2980 1 8 . 1 1 5 5 ASP H H 5 8.363 8.363 8.710 -0.347 19382 2981 1 8 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.297 0.354 19382 2982 1 8 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.596 0.469 19382 2983 1 8 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.907 0.017 19382 2984 1 8 . 1 1 8 8 GLY N N 8 110.020 110.020 108.518 1.502 19382 2985 1 8 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.025 0.348 19382 2986 1 8 . 1 1 8 8 GLY H H 8 8.879 8.879 8.528 0.351 19382 2987 1 8 . 1 1 9 9 LYS N N 9 121.894 121.894 123.523 -1.629 19382 2988 1 8 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.511 -0.374 19382 2989 1 8 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.145 0.882 19382 2990 1 8 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.539 0.649 19382 2991 1 8 . 1 1 9 9 LYS H H 9 8.011 8.011 7.598 0.413 19382 2992 1 8 . 1 1 10 10 LEU N N 10 127.289 127.289 126.150 1.139 19382 2993 1 8 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.348 -0.368 19382 2994 1 8 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.132 0.362 19382 2995 1 8 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.669 -1.175 19382 2996 1 8 . 1 1 10 10 LEU H H 10 9.536 9.536 9.109 0.427 19382 2997 1 8 . 1 1 11 11 PHE N N 11 123.068 123.068 123.233 -0.165 19382 2998 1 8 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.787 -0.369 19382 2999 1 8 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.837 1.331 19382 3000 1 8 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.454 -1.248 19382 3001 1 8 . 1 1 11 11 PHE H H 11 9.386 9.386 9.316 0.070 19382 3002 1 8 . 1 1 12 12 ILE N N 12 127.476 127.476 126.772 0.704 19382 3003 1 8 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.715 0.098 19382 3004 1 8 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.789 2.002 19382 3005 1 8 . 1 1 12 12 ILE H H 12 7.949 7.949 8.073 -0.124 19382 3006 1 8 . 1 1 13 13 GLY N N 13 110.661 110.661 110.416 0.245 19382 3007 1 8 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.508 0.242 19382 3008 1 8 . 1 1 13 13 GLY H H 13 8.939 8.939 7.587 1.352 19382 3009 1 8 . 1 1 14 14 GLY N N 14 107.213 107.213 110.871 -3.658 19382 3010 1 8 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.821 0.956 19382 3011 1 8 . 1 1 14 14 GLY H H 14 8.126 8.126 8.460 -0.334 19382 3012 1 8 . 1 1 15 15 LEU N N 15 115.288 115.288 119.748 -4.460 19382 3013 1 8 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.126 -0.069 19382 3014 1 8 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.028 -0.389 19382 3015 1 8 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.226 1.069 19382 3016 1 8 . 1 1 15 15 LEU H H 15 7.621 7.621 7.955 -0.334 19382 3017 1 8 . 1 1 16 16 ASN N N 16 120.674 120.674 118.226 2.448 19382 3018 1 8 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.619 -0.046 19382 3019 1 8 . 1 1 16 16 ASN CB C 16 38.631 38.631 40.197 -1.566 19382 3020 1 8 . 1 1 16 16 ASN H H 16 9.597 9.597 8.351 1.246 19382 3021 1 8 . 1 1 17 17 THR N N 17 122.538 122.538 111.418 11.120 19382 3022 1 8 . 1 1 17 17 THR HA H 17 3.900 3.900 4.184 -0.284 19382 3023 1 8 . 1 1 17 17 THR CA C 17 65.542 65.542 63.827 1.715 19382 3024 1 8 . 1 1 17 17 THR CB C 17 68.594 68.594 68.767 -0.173 19382 3025 1 8 . 1 1 17 17 THR H H 17 8.807 8.807 8.612 0.195 19382 3026 1 8 . 1 1 18 18 GLU N N 18 118.149 118.149 116.773 1.376 19382 3027 1 8 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.484 -0.123 19382 3028 1 8 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.434 0.979 19382 3029 1 8 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.410 0.504 19382 3030 1 8 . 1 1 18 18 GLU H H 18 8.757 8.757 8.262 0.495 19382 3031 1 8 . 1 1 19 19 THR N N 19 119.146 119.146 118.408 0.738 19382 3032 1 8 . 1 1 19 19 THR HA H 19 4.088 4.088 4.270 -0.182 19382 3033 1 8 . 1 1 19 19 THR CA C 19 64.959 64.959 63.823 1.136 19382 3034 1 8 . 1 1 19 19 THR CB C 19 68.536 68.536 69.788 -1.252 19382 3035 1 8 . 1 1 19 19 THR H H 19 7.627 7.627 7.415 0.212 19382 3036 1 8 . 1 1 20 20 ASN N N 20 126.361 126.361 122.743 3.618 19382 3037 1 8 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.932 -0.016 19382 3038 1 8 . 1 1 20 20 ASN CA C 20 50.998 50.998 52.042 -1.044 19382 3039 1 8 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.016 -0.662 19382 3040 1 8 . 1 1 20 20 ASN H H 20 8.076 8.076 8.394 -0.318 19382 3041 1 8 . 1 1 21 21 GLU N N 21 118.317 118.317 121.263 -2.946 19382 3042 1 8 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.062 -0.341 19382 3043 1 8 . 1 1 21 21 GLU CA C 21 61.820 61.820 59.986 1.834 19382 3044 1 8 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.526 -0.655 19382 3045 1 8 . 1 1 21 21 GLU H H 21 10.233 10.233 8.715 1.518 19382 3046 1 8 . 1 1 22 22 LYS N N 22 118.930 118.930 118.888 0.042 19382 3047 1 8 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.104 0.060 19382 3048 1 8 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.931 -0.137 19382 3049 1 8 . 1 1 22 22 LYS CB C 22 31.727 31.727 32.157 -0.430 19382 3050 1 8 . 1 1 22 22 LYS H H 22 7.920 7.920 8.393 -0.473 19382 3051 1 8 . 1 1 23 23 ALA N N 23 123.201 123.201 120.636 2.565 19382 3052 1 8 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.291 0.032 19382 3053 1 8 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.277 0.744 19382 3054 1 8 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.594 0.430 19382 3055 1 8 . 1 1 23 23 ALA H H 23 7.915 7.915 7.462 0.453 19382 3056 1 8 . 1 1 24 24 LEU N N 24 116.213 116.213 118.899 -2.686 19382 3057 1 8 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.316 -0.149 19382 3058 1 8 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.336 0.759 19382 3059 1 8 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.421 0.037 19382 3060 1 8 . 1 1 24 24 LEU H H 24 7.760 7.760 7.571 0.189 19382 3061 1 8 . 1 1 25 25 GLU N N 25 119.637 119.637 118.782 0.855 19382 3062 1 8 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.076 -0.313 19382 3063 1 8 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.974 1.241 19382 3064 1 8 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.715 0.134 19382 3065 1 8 . 1 1 25 25 GLU H H 25 8.545 8.545 8.609 -0.064 19382 3066 1 8 . 1 1 26 26 ALA N N 26 121.001 121.001 120.459 0.542 19382 3067 1 8 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.251 -0.053 19382 3068 1 8 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.331 0.750 19382 3069 1 8 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.931 -0.512 19382 3070 1 8 . 1 1 26 26 ALA H H 26 7.975 7.975 7.486 0.489 19382 3071 1 8 . 1 1 27 27 VAL N N 27 115.732 115.732 116.170 -0.438 19382 3072 1 8 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.969 -0.026 19382 3073 1 8 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.314 0.934 19382 3074 1 8 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.888 -0.134 19382 3075 1 8 . 1 1 27 27 VAL H H 27 7.817 7.817 7.490 0.327 19382 3076 1 8 . 1 1 28 28 PHE N N 28 115.329 115.329 117.947 -2.618 19382 3077 1 8 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.964 -0.322 19382 3078 1 8 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.570 3.132 19382 3079 1 8 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.414 -1.130 19382 3080 1 8 . 1 1 28 28 PHE H H 28 8.607 8.607 7.760 0.847 19382 3081 1 8 . 1 1 29 29 GLY N N 29 108.306 108.306 107.274 1.032 19382 3082 1 8 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.659 0.746 19382 3083 1 8 . 1 1 29 29 GLY H H 29 8.425 8.425 7.788 0.637 19382 3084 1 8 . 1 1 30 30 LYS N N 30 117.374 117.374 118.851 -1.477 19382 3085 1 8 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.063 0.033 19382 3086 1 8 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.516 0.377 19382 3087 1 8 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.750 0.246 19382 3088 1 8 . 1 1 30 30 LYS H H 30 6.970 6.970 7.692 -0.722 19382 3089 1 8 . 1 1 31 31 TYR N N 31 115.689 115.689 116.972 -1.283 19382 3090 1 8 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.779 -0.484 19382 3091 1 8 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.645 1.168 19382 3092 1 8 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.832 -2.039 19382 3093 1 8 . 1 1 31 31 TYR H H 31 7.741 7.741 7.586 0.155 19382 3094 1 8 . 1 1 32 32 GLY N N 32 104.475 104.475 104.507 -0.032 19382 3095 1 8 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.435 -0.839 19382 3096 1 8 . 1 1 32 32 GLY H H 32 7.401 7.401 7.496 -0.095 19382 3097 1 8 . 1 1 33 33 ARG N N 33 116.936 116.936 121.113 -4.177 19382 3098 1 8 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.395 -0.113 19382 3099 1 8 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.965 1.938 19382 3100 1 8 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.073 -0.319 19382 3101 1 8 . 1 1 33 33 ARG H H 33 8.286 8.286 8.545 -0.259 19382 3102 1 8 . 1 1 34 34 ILE N N 34 128.703 128.703 126.575 2.128 19382 3103 1 8 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.959 0.069 19382 3104 1 8 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.603 -1.752 19382 3105 1 8 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.596 1.341 19382 3106 1 8 . 1 1 34 34 ILE H H 34 8.797 8.797 8.456 0.341 19382 3107 1 8 . 1 1 35 35 VAL N N 35 122.207 122.207 123.392 -1.185 19382 3108 1 8 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.289 -0.012 19382 3109 1 8 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.702 -0.314 19382 3110 1 8 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.932 0.122 19382 3111 1 8 . 1 1 35 35 VAL H H 35 8.859 8.859 8.959 -0.100 19382 3112 1 8 . 1 1 36 36 GLU N N 36 118.922 118.922 119.142 -0.220 19382 3113 1 8 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.531 0.004 19382 3114 1 8 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.972 0.872 19382 3115 1 8 . 1 1 36 36 GLU CB C 36 34.132 34.132 32.938 1.194 19382 3116 1 8 . 1 1 36 36 GLU H H 36 7.228 7.228 7.651 -0.423 19382 3117 1 8 . 1 1 37 37 VAL N N 37 126.068 126.068 122.955 3.113 19382 3118 1 8 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.378 0.042 19382 3119 1 8 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.365 1.045 19382 3120 1 8 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.920 -1.012 19382 3121 1 8 . 1 1 37 37 VAL H H 37 8.607 8.607 8.547 0.060 19382 3122 1 8 . 1 1 38 38 LEU N N 38 129.638 129.638 124.951 4.687 19382 3123 1 8 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.786 0.006 19382 3124 1 8 . 1 1 38 38 LEU CA C 38 53.395 53.395 54.012 -0.617 19382 3125 1 8 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.733 -1.195 19382 3126 1 8 . 1 1 38 38 LEU H H 38 9.052 9.052 9.039 0.013 19382 3127 1 8 . 1 1 39 39 LEU N N 39 128.599 128.599 123.329 5.270 19382 3128 1 8 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.550 -0.150 19382 3129 1 8 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.483 -0.486 19382 3130 1 8 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.955 -0.723 19382 3131 1 8 . 1 1 39 39 LEU H H 39 9.030 9.030 8.390 0.640 19382 3132 1 8 . 1 1 40 40 MET N N 40 125.937 125.937 124.885 1.052 19382 3133 1 8 . 1 1 40 40 MET HA H 40 4.595 4.595 4.756 -0.161 19382 3134 1 8 . 1 1 40 40 MET CA C 40 54.617 54.617 53.161 1.456 19382 3135 1 8 . 1 1 40 40 MET CB C 40 29.778 29.778 32.747 -2.969 19382 3136 1 8 . 1 1 40 40 MET H H 40 7.848 7.848 8.293 -0.445 19382 3137 1 8 . 1 1 41 41 LYS N N 41 122.049 122.049 120.943 1.106 19382 3138 1 8 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.506 0.405 19382 3139 1 8 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.837 -0.129 19382 3140 1 8 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.193 1.149 19382 3141 1 8 . 1 1 41 41 LYS H H 41 8.444 8.444 8.238 0.206 19382 3142 1 8 . 1 1 42 42 ASP N N 42 123.896 123.896 120.947 2.949 19382 3143 1 8 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.549 0.136 19382 3144 1 8 . 1 1 42 42 ASP CB C 42 43.050 43.050 42.454 0.596 19382 3145 1 8 . 1 1 42 42 ASP H H 42 8.864 8.864 8.829 0.035 19382 3146 1 8 . 1 1 43 43 ARG N N 43 126.892 126.892 123.044 3.848 19382 3147 1 8 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.340 -0.185 19382 3148 1 8 . 1 1 43 43 ARG CA C 43 58.790 58.790 56.988 1.802 19382 3149 1 8 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.622 -0.292 19382 3150 1 8 . 1 1 43 43 ARG H H 43 8.983 8.983 8.589 0.394 19382 3151 1 8 . 1 1 44 44 GLU N N 44 117.468 117.468 119.158 -1.690 19382 3152 1 8 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.512 -0.141 19382 3153 1 8 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.363 1.320 19382 3154 1 8 . 1 1 44 44 GLU CB C 44 30.160 30.160 30.710 -0.550 19382 3155 1 8 . 1 1 44 44 GLU H H 44 8.687 8.687 9.077 -0.390 19382 3156 1 8 . 1 1 45 45 THR N N 45 107.088 107.088 109.950 -2.862 19382 3157 1 8 . 1 1 45 45 THR HA H 45 4.447 4.447 4.487 -0.040 19382 3158 1 8 . 1 1 45 45 THR CA C 45 61.838 61.838 61.528 0.310 19382 3159 1 8 . 1 1 45 45 THR CB C 45 71.163 71.163 70.946 0.217 19382 3160 1 8 . 1 1 45 45 THR H H 45 8.172 8.172 7.687 0.485 19382 3161 1 8 . 1 1 46 46 ASN N N 46 117.525 117.525 118.031 -0.506 19382 3162 1 8 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.379 0.117 19382 3163 1 8 . 1 1 46 46 ASN CA C 46 55.027 55.027 55.008 0.019 19382 3164 1 8 . 1 1 46 46 ASN CB C 46 38.541 38.541 36.833 1.708 19382 3165 1 8 . 1 1 46 46 ASN H H 46 8.389 8.389 8.103 0.286 19382 3166 1 8 . 1 1 47 47 LYS N N 47 117.695 117.695 118.565 -0.870 19382 3167 1 8 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.238 0.219 19382 3168 1 8 . 1 1 47 47 LYS CA C 47 55.547 55.547 56.913 -1.366 19382 3169 1 8 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.526 0.542 19382 3170 1 8 . 1 1 47 47 LYS H H 47 7.649 7.649 7.597 0.052 19382 3171 1 8 . 1 1 48 48 SER N N 48 116.260 116.260 111.644 4.616 19382 3172 1 8 . 1 1 48 48 SER HA H 48 4.384 4.384 4.816 -0.432 19382 3173 1 8 . 1 1 48 48 SER CA C 48 58.462 58.462 56.512 1.950 19382 3174 1 8 . 1 1 48 48 SER CB C 48 64.621 64.621 66.110 -1.489 19382 3175 1 8 . 1 1 48 48 SER H H 48 8.787 8.787 8.213 0.574 19382 3176 1 8 . 1 1 49 49 ARG N N 49 124.026 124.026 123.159 0.867 19382 3177 1 8 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.320 0.139 19382 3178 1 8 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.056 0.685 19382 3179 1 8 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.450 1.450 19382 3180 1 8 . 1 1 49 49 ARG H H 49 9.079 9.079 8.694 0.385 19382 3181 1 8 . 1 1 50 50 GLY N N 50 106.539 106.539 106.218 0.321 19382 3182 1 8 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.608 0.241 19382 3183 1 8 . 1 1 50 50 GLY H H 50 9.178 9.178 8.363 0.815 19382 3184 1 8 . 1 1 51 51 PHE N N 51 112.056 112.056 115.360 -3.304 19382 3185 1 8 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.610 -0.314 19382 3186 1 8 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.098 1.015 19382 3187 1 8 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.743 -0.341 19382 3188 1 8 . 1 1 51 51 PHE H H 51 7.004 7.004 7.151 -0.147 19382 3189 1 8 . 1 1 52 52 ALA N N 52 120.974 120.974 120.186 0.788 19382 3190 1 8 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.901 -0.062 19382 3191 1 8 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.011 -1.345 19382 3192 1 8 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.053 3.539 19382 3193 1 8 . 1 1 52 52 ALA H H 52 8.832 8.832 7.710 1.122 19382 3194 1 8 . 1 1 53 53 PHE N N 53 113.680 113.680 115.461 -1.781 19382 3195 1 8 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.651 0.022 19382 3196 1 8 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.726 -0.586 19382 3197 1 8 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.354 -1.693 19382 3198 1 8 . 1 1 53 53 PHE H H 53 8.710 8.710 7.963 0.747 19382 3199 1 8 . 1 1 54 54 VAL N N 54 124.889 124.889 119.206 5.683 19382 3200 1 8 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.743 -0.063 19382 3201 1 8 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.166 0.177 19382 3202 1 8 . 1 1 54 54 VAL H H 54 8.800 8.800 8.615 0.185 19382 3203 1 8 . 1 1 55 55 THR N N 55 123.052 123.052 124.451 -1.399 19382 3204 1 8 . 1 1 55 55 THR HA H 55 5.159 5.159 5.436 -0.277 19382 3205 1 8 . 1 1 55 55 THR CA C 55 61.912 61.912 61.356 0.556 19382 3206 1 8 . 1 1 55 55 THR CB C 55 69.698 69.698 70.129 -0.431 19382 3207 1 8 . 1 1 55 55 THR H H 55 8.943 8.943 8.991 -0.048 19382 3208 1 8 . 1 1 56 56 PHE N N 56 128.514 128.514 126.104 2.410 19382 3209 1 8 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.870 -0.055 19382 3210 1 8 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.121 1.173 19382 3211 1 8 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.274 0.392 19382 3212 1 8 . 1 1 56 56 PHE H H 56 8.917 8.917 9.502 -0.585 19382 3213 1 8 . 1 1 57 57 GLU N N 57 121.809 121.809 121.360 0.449 19382 3214 1 8 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.198 -0.246 19382 3215 1 8 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.712 0.790 19382 3216 1 8 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.413 0.138 19382 3217 1 8 . 1 1 57 57 GLU H H 57 8.240 8.240 8.797 -0.557 19382 3218 1 8 . 1 1 58 58 SER N N 58 112.478 112.478 112.571 -0.093 19382 3219 1 8 . 1 1 58 58 SER HA H 58 5.333 5.333 4.991 0.342 19382 3220 1 8 . 1 1 58 58 SER CA C 58 53.261 53.261 54.105 -0.844 19382 3221 1 8 . 1 1 58 58 SER CB C 58 64.505 64.505 64.783 -0.278 19382 3222 1 8 . 1 1 58 58 SER H H 58 9.461 9.461 7.654 1.807 19382 3223 1 8 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.486 -0.338 19382 3224 1 8 . 1 1 59 59 PRO CA C 59 65.069 65.069 64.239 0.830 19382 3225 1 8 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.977 0.425 19382 3226 1 8 . 1 1 60 60 ALA N N 60 120.882 120.882 120.523 0.359 19382 3227 1 8 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.427 -0.329 19382 3228 1 8 . 1 1 60 60 ALA CA C 60 55.355 55.355 53.069 2.286 19382 3229 1 8 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.597 -1.184 19382 3230 1 8 . 1 1 60 60 ALA H H 60 7.957 7.957 7.676 0.281 19382 3231 1 8 . 1 1 61 61 ASP N N 61 120.196 120.196 120.492 -0.296 19382 3232 1 8 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.500 -0.196 19382 3233 1 8 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.062 -0.090 19382 3234 1 8 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.559 -0.271 19382 3235 1 8 . 1 1 61 61 ASP H H 61 7.157 7.157 7.715 -0.558 19382 3236 1 8 . 1 1 62 62 ALA N N 62 119.636 119.636 121.358 -1.722 19382 3237 1 8 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.717 0.550 19382 3238 1 8 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.288 0.080 19382 3239 1 8 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.120 0.884 19382 3240 1 8 . 1 1 62 62 ALA H H 62 6.901 6.901 7.375 -0.474 19382 3241 1 8 . 1 1 63 63 LYS N N 63 117.322 117.322 118.801 -1.479 19382 3242 1 8 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.874 0.101 19382 3243 1 8 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.459 0.179 19382 3244 1 8 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.190 -0.144 19382 3245 1 8 . 1 1 63 63 LYS H H 63 7.605 7.605 7.619 -0.014 19382 3246 1 8 . 1 1 64 64 ASP N N 64 120.944 120.944 118.121 2.823 19382 3247 1 8 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.374 -0.010 19382 3248 1 8 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.587 0.908 19382 3249 1 8 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.930 -0.426 19382 3250 1 8 . 1 1 64 64 ASP H H 64 7.488 7.488 7.765 -0.277 19382 3251 1 8 . 1 1 65 65 ALA N N 65 122.197 122.197 120.539 1.658 19382 3252 1 8 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.811 -0.458 19382 3253 1 8 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.231 0.252 19382 3254 1 8 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.002 0.850 19382 3255 1 8 . 1 1 65 65 ALA H H 65 7.806 7.806 7.230 0.576 19382 3256 1 8 . 1 1 66 66 ALA N N 66 118.722 118.722 118.719 0.003 19382 3257 1 8 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.098 -0.239 19382 3258 1 8 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.653 1.728 19382 3259 1 8 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.500 -0.686 19382 3260 1 8 . 1 1 66 66 ALA H H 66 8.247 8.247 7.781 0.466 19382 3261 1 8 . 1 1 67 67 ARG N N 67 116.529 116.529 115.285 1.244 19382 3262 1 8 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.342 -0.236 19382 3263 1 8 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.812 2.122 19382 3264 1 8 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.671 -0.519 19382 3265 1 8 . 1 1 67 67 ARG H H 67 7.803 7.803 7.395 0.408 19382 3266 1 8 . 1 1 68 68 ASP N N 68 116.394 116.394 118.186 -1.792 19382 3267 1 8 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.710 0.022 19382 3268 1 8 . 1 1 68 68 ASP CB C 68 42.683 42.683 42.874 -0.192 19382 3269 1 8 . 1 1 68 68 ASP H H 68 7.800 7.800 7.873 -0.073 19382 3270 1 8 . 1 1 69 69 MET N N 69 111.832 111.832 117.478 -5.646 19382 3271 1 8 . 1 1 69 69 MET HA H 69 4.902 4.902 4.426 0.476 19382 3272 1 8 . 1 1 69 69 MET CA C 69 53.703 53.703 54.700 -0.997 19382 3273 1 8 . 1 1 69 69 MET CB C 69 32.130 32.130 32.474 -0.344 19382 3274 1 8 . 1 1 69 69 MET H H 69 8.203 8.203 8.010 0.193 19382 3275 1 8 . 1 1 70 70 ASN N N 70 116.507 116.507 117.827 -1.320 19382 3276 1 8 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.507 -0.048 19382 3277 1 8 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.785 2.188 19382 3278 1 8 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.516 0.256 19382 3279 1 8 . 1 1 70 70 ASN H H 70 7.724 7.724 7.658 0.066 19382 3280 1 8 . 1 1 71 71 GLY N N 71 117.038 117.038 113.916 3.122 19382 3281 1 8 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.563 0.382 19382 3282 1 8 . 1 1 71 71 GLY H H 71 9.065 9.065 8.295 0.770 19382 3283 1 8 . 1 1 72 72 LYS N N 72 120.950 120.950 120.565 0.385 19382 3284 1 8 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.567 -0.132 19382 3285 1 8 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.785 0.639 19382 3286 1 8 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.655 -0.599 19382 3287 1 8 . 1 1 72 72 LYS H H 72 7.949 7.949 7.602 0.347 19382 3288 1 8 . 1 1 73 73 SER N N 73 112.847 112.847 112.931 -0.084 19382 3289 1 8 . 1 1 73 73 SER HA H 73 5.076 5.076 5.015 0.061 19382 3290 1 8 . 1 1 73 73 SER CA C 73 57.821 57.821 56.585 1.236 19382 3291 1 8 . 1 1 73 73 SER CB C 73 64.481 64.481 64.734 -0.253 19382 3292 1 8 . 1 1 73 73 SER H H 73 8.078 8.078 8.379 -0.301 19382 3293 1 8 . 1 1 74 74 LEU N N 74 127.515 127.515 124.305 3.210 19382 3294 1 8 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.646 -0.055 19382 3295 1 8 . 1 1 74 74 LEU CA C 74 54.810 54.810 55.977 -1.167 19382 3296 1 8 . 1 1 74 74 LEU CB C 74 44.722 44.722 43.184 1.538 19382 3297 1 8 . 1 1 74 74 LEU H H 74 9.069 9.069 8.500 0.569 19382 3298 1 8 . 1 1 75 75 ASP N N 75 128.803 128.803 116.361 12.442 19382 3299 1 8 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.740 -0.399 19382 3300 1 8 . 1 1 75 75 ASP CA C 75 55.686 55.686 53.592 2.094 19382 3301 1 8 . 1 1 75 75 ASP CB C 75 39.429 39.429 42.140 -2.711 19382 3302 1 8 . 1 1 75 75 ASP H H 75 9.565 9.565 8.289 1.276 19382 3303 1 8 . 1 1 76 76 GLY N N 76 101.959 101.959 106.981 -5.022 19382 3304 1 8 . 1 1 76 76 GLY CA C 76 45.659 45.659 45.302 0.357 19382 3305 1 8 . 1 1 76 76 GLY H H 76 8.447 8.447 7.648 0.799 19382 3306 1 8 . 1 1 77 77 LYS N N 77 120.026 120.026 120.482 -0.456 19382 3307 1 8 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.667 0.045 19382 3308 1 8 . 1 1 77 77 LYS CB C 77 34.902 34.902 33.833 1.069 19382 3309 1 8 . 1 1 77 77 LYS H H 77 7.417 7.417 7.873 -0.456 19382 3310 1 8 . 1 1 78 78 ALA N N 78 125.190 125.190 127.486 -2.296 19382 3311 1 8 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.927 -0.390 19382 3312 1 8 . 1 1 78 78 ALA CA C 78 51.602 51.602 51.662 -0.060 19382 3313 1 8 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.609 -1.381 19382 3314 1 8 . 1 1 78 78 ALA H H 78 8.304 8.304 8.692 -0.388 19382 3315 1 8 . 1 1 79 79 ILE N N 79 119.566 119.566 116.213 3.353 19382 3316 1 8 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.262 -0.419 19382 3317 1 8 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.662 2.115 19382 3318 1 8 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.009 -1.455 19382 3319 1 8 . 1 1 79 79 ILE H H 79 8.293 8.293 8.793 -0.500 19382 3320 1 8 . 1 1 80 80 LYS N N 80 123.948 123.948 121.325 2.623 19382 3321 1 8 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.065 -0.062 19382 3322 1 8 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.460 -0.132 19382 3323 1 8 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.219 -1.250 19382 3324 1 8 . 1 1 80 80 LYS H H 80 8.552 8.552 8.790 -0.238 19382 3325 1 8 . 1 1 81 81 VAL N N 81 123.950 123.950 125.455 -1.505 19382 3326 1 8 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.207 0.093 19382 3327 1 8 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.882 0.141 19382 3328 1 8 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.528 0.173 19382 3329 1 8 . 1 1 81 81 VAL H H 81 8.753 8.753 8.770 -0.017 19382 3330 1 8 . 1 1 82 82 GLU N N 82 123.264 123.264 124.400 -1.136 19382 3331 1 8 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.671 0.082 19382 3332 1 8 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.655 1.318 19382 3333 1 8 . 1 1 82 82 GLU H H 82 9.060 9.060 8.387 0.673 19382 3334 1 8 . 1 1 83 83 GLN N N 83 121.972 121.972 122.424 -0.452 19382 3335 1 8 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.515 -0.177 19382 3336 1 8 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.547 0.817 19382 3337 1 8 . 1 1 83 83 GLN CB C 83 28.986 28.986 28.967 0.019 19382 3338 1 8 . 1 1 83 83 GLN H H 83 8.790 8.790 8.462 0.328 19382 3339 1 8 . 1 1 84 84 ALA N N 84 129.351 129.351 130.363 -1.012 19382 3340 1 8 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.649 0.627 19382 3341 1 8 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.320 0.542 19382 3342 1 8 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.726 -0.965 19382 3343 1 8 . 1 1 84 84 ALA H H 84 9.051 9.051 8.358 0.693 19382 3344 1 8 . 1 1 85 85 THR HA H 85 4.767 4.767 4.492 0.275 19382 3345 1 8 . 1 1 85 85 THR CB C 85 70.557 70.557 71.408 -0.851 19382 3346 1 8 . 1 1 86 86 LYS N N 86 120.733 120.733 121.058 -0.325 19382 3347 1 8 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.401 0.059 19382 3348 1 8 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.908 0.405 19382 3349 1 8 . 1 1 86 86 LYS H H 86 8.517 8.517 8.495 0.022 19382 3350 1 8 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.439 -0.006 19382 3351 1 8 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.517 0.579 19382 3352 1 8 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.264 -0.145 19382 3353 1 8 . 1 1 88 88 SER N N 88 117.293 117.293 114.846 2.447 19382 3354 1 8 . 1 1 88 88 SER HA H 88 4.262 4.262 4.291 -0.029 19382 3355 1 8 . 1 1 88 88 SER CA C 88 59.204 59.204 58.998 0.206 19382 3356 1 8 . 1 1 88 88 SER CB C 88 63.891 63.891 63.446 0.445 19382 3357 1 8 . 1 1 88 88 SER H H 88 8.508 8.508 8.537 -0.029 19382 3358 1 8 . 1 1 89 89 PHE N N 89 120.710 120.710 117.998 2.712 19382 3359 1 8 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.821 -0.178 19382 3360 1 8 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.464 1.005 19382 3361 1 8 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.129 1.111 19382 3362 1 8 . 1 1 89 89 PHE H H 89 7.930 7.930 7.580 0.350 19382 3363 1 8 . 1 1 90 90 GLU N N 90 121.794 121.794 119.775 2.019 19382 3364 1 8 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.471 -0.184 19382 3365 1 8 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.211 1.490 19382 3366 1 8 . 1 1 90 90 GLU CB C 90 30.383 30.383 32.796 -2.413 19382 3367 1 8 . 1 1 90 90 GLU H H 90 8.099 8.099 7.270 0.829 19382 3368 1 8 . 1 1 91 91 SER N N 91 116.607 116.607 117.960 -1.353 19382 3369 1 8 . 1 1 91 91 SER HA H 91 4.419 4.419 4.490 -0.071 19382 3370 1 8 . 1 1 91 91 SER CA C 91 59.090 59.090 58.232 0.858 19382 3371 1 8 . 1 1 91 91 SER CB C 91 64.011 64.011 63.113 0.898 19382 3372 1 8 . 1 1 91 91 SER H H 91 8.194 8.194 8.937 -0.743 19382 3373 1 8 . 1 1 92 92 GLY N N 92 110.531 110.531 108.938 1.593 19382 3374 1 8 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.784 -0.291 19382 3375 1 8 . 1 1 92 92 GLY H H 92 8.395 8.395 8.742 -0.347 19382 3376 1 8 . 1 1 93 93 ARG N N 93 120.515 120.515 118.989 1.526 19382 3377 1 8 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.534 -0.136 19382 3378 1 8 . 1 1 93 93 ARG CA C 93 56.203 56.203 55.142 1.061 19382 3379 1 8 . 1 1 93 93 ARG CB C 93 31.056 31.056 32.277 -1.221 19382 3380 1 8 . 1 1 93 93 ARG H H 93 8.046 8.046 7.646 0.400 19382 3381 1 8 . 1 1 94 94 ARG N N 94 123.050 123.050 120.205 2.845 19382 3382 1 8 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.521 -0.113 19382 3383 1 8 . 1 1 94 94 ARG CB C 94 31.051 31.051 31.997 -0.946 19382 3384 1 8 . 1 1 94 94 ARG H H 94 8.403 8.403 8.490 -0.087 19382 3385 1 9 . 1 1 2 2 VAL N N 2 120.711 120.711 121.064 -0.353 19382 3386 1 9 . 1 1 2 2 VAL HA H 2 4.240 4.240 3.979 0.261 19382 3387 1 9 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.669 -0.837 19382 3388 1 9 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.120 1.201 19382 3389 1 9 . 1 1 2 2 VAL H H 2 8.063 8.063 8.341 -0.278 19382 3390 1 9 . 1 1 3 3 GLU N N 3 124.381 124.381 120.907 3.474 19382 3391 1 9 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.357 0.075 19382 3392 1 9 . 1 1 3 3 GLU CA C 3 55.660 55.660 56.059 -0.399 19382 3393 1 9 . 1 1 3 3 GLU CB C 3 31.558 31.558 30.041 1.517 19382 3394 1 9 . 1 1 3 3 GLU H H 3 8.589 8.589 7.925 0.664 19382 3395 1 9 . 1 1 4 4 ALA N N 4 124.910 124.910 128.749 -3.839 19382 3396 1 9 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.815 -0.531 19382 3397 1 9 . 1 1 4 4 ALA CA C 4 53.537 53.537 50.340 3.197 19382 3398 1 9 . 1 1 4 4 ALA CB C 4 19.535 19.535 19.967 -0.432 19382 3399 1 9 . 1 1 4 4 ALA H H 4 8.442 8.442 8.304 0.138 19382 3400 1 9 . 1 1 5 5 ASP N N 5 119.622 119.622 124.142 -4.520 19382 3401 1 9 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.508 0.135 19382 3402 1 9 . 1 1 5 5 ASP CB C 5 42.674 42.674 42.370 0.304 19382 3403 1 9 . 1 1 5 5 ASP H H 5 8.363 8.363 8.217 0.146 19382 3404 1 9 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.313 0.338 19382 3405 1 9 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.971 0.094 19382 3406 1 9 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.687 0.237 19382 3407 1 9 . 1 1 8 8 GLY N N 8 110.020 110.020 111.744 -1.724 19382 3408 1 9 . 1 1 8 8 GLY CA C 8 45.373 45.373 44.958 0.415 19382 3409 1 9 . 1 1 8 8 GLY H H 8 8.879 8.879 8.378 0.501 19382 3410 1 9 . 1 1 9 9 LYS N N 9 121.894 121.894 123.697 -1.803 19382 3411 1 9 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.341 -0.204 19382 3412 1 9 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.504 0.524 19382 3413 1 9 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.354 0.834 19382 3414 1 9 . 1 1 9 9 LYS H H 9 8.011 8.011 7.924 0.087 19382 3415 1 9 . 1 1 10 10 LEU N N 10 127.289 127.289 126.652 0.637 19382 3416 1 9 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.251 -0.271 19382 3417 1 9 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.183 0.311 19382 3418 1 9 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.485 -0.991 19382 3419 1 9 . 1 1 10 10 LEU H H 10 9.536 9.536 9.140 0.396 19382 3420 1 9 . 1 1 11 11 PHE N N 11 123.068 123.068 123.694 -0.626 19382 3421 1 9 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.800 -0.382 19382 3422 1 9 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.789 1.379 19382 3423 1 9 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.012 -0.806 19382 3424 1 9 . 1 1 11 11 PHE H H 11 9.386 9.386 9.372 0.014 19382 3425 1 9 . 1 1 12 12 ILE N N 12 127.476 127.476 127.257 0.219 19382 3426 1 9 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.727 0.086 19382 3427 1 9 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.622 2.169 19382 3428 1 9 . 1 1 12 12 ILE H H 12 7.949 7.949 8.127 -0.178 19382 3429 1 9 . 1 1 13 13 GLY N N 13 110.661 110.661 110.637 0.024 19382 3430 1 9 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.390 0.360 19382 3431 1 9 . 1 1 13 13 GLY H H 13 8.939 8.939 7.549 1.390 19382 3432 1 9 . 1 1 14 14 GLY N N 14 107.213 107.213 111.766 -4.553 19382 3433 1 9 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.759 1.017 19382 3434 1 9 . 1 1 14 14 GLY H H 14 8.126 8.126 8.724 -0.598 19382 3435 1 9 . 1 1 15 15 LEU N N 15 115.288 115.288 120.014 -4.726 19382 3436 1 9 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.079 -0.022 19382 3437 1 9 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.260 -0.621 19382 3438 1 9 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.148 1.147 19382 3439 1 9 . 1 1 15 15 LEU H H 15 7.621 7.621 7.828 -0.207 19382 3440 1 9 . 1 1 16 16 ASN N N 16 120.674 120.674 118.716 1.958 19382 3441 1 9 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.625 -0.052 19382 3442 1 9 . 1 1 16 16 ASN CB C 16 38.631 38.631 40.091 -1.460 19382 3443 1 9 . 1 1 16 16 ASN H H 16 9.597 9.597 8.028 1.569 19382 3444 1 9 . 1 1 17 17 THR N N 17 122.538 122.538 112.921 9.617 19382 3445 1 9 . 1 1 17 17 THR HA H 17 3.900 3.900 4.192 -0.292 19382 3446 1 9 . 1 1 17 17 THR CA C 17 65.542 65.542 64.266 1.276 19382 3447 1 9 . 1 1 17 17 THR CB C 17 68.594 68.594 68.825 -0.231 19382 3448 1 9 . 1 1 17 17 THR H H 17 8.807 8.807 8.672 0.135 19382 3449 1 9 . 1 1 18 18 GLU N N 18 118.149 118.149 117.976 0.173 19382 3450 1 9 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.486 -0.125 19382 3451 1 9 . 1 1 18 18 GLU CA C 18 56.413 56.413 56.060 0.353 19382 3452 1 9 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.368 0.546 19382 3453 1 9 . 1 1 18 18 GLU H H 18 8.757 8.757 8.575 0.182 19382 3454 1 9 . 1 1 19 19 THR N N 19 119.146 119.146 118.232 0.914 19382 3455 1 9 . 1 1 19 19 THR HA H 19 4.088 4.088 4.270 -0.182 19382 3456 1 9 . 1 1 19 19 THR CA C 19 64.959 64.959 64.107 0.852 19382 3457 1 9 . 1 1 19 19 THR CB C 19 68.536 68.536 69.772 -1.236 19382 3458 1 9 . 1 1 19 19 THR H H 19 7.627 7.627 7.557 0.070 19382 3459 1 9 . 1 1 20 20 ASN N N 20 126.361 126.361 123.087 3.274 19382 3460 1 9 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.964 -0.048 19382 3461 1 9 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.923 -0.925 19382 3462 1 9 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.147 -0.792 19382 3463 1 9 . 1 1 20 20 ASN H H 20 8.076 8.076 8.391 -0.315 19382 3464 1 9 . 1 1 21 21 GLU N N 21 118.317 118.317 121.301 -2.984 19382 3465 1 9 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.059 -0.338 19382 3466 1 9 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.084 1.736 19382 3467 1 9 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.457 -0.586 19382 3468 1 9 . 1 1 21 21 GLU H H 21 10.233 10.233 8.712 1.521 19382 3469 1 9 . 1 1 22 22 LYS N N 22 118.930 118.930 118.767 0.163 19382 3470 1 9 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.113 0.051 19382 3471 1 9 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.847 -0.053 19382 3472 1 9 . 1 1 22 22 LYS CB C 22 31.727 31.727 32.142 -0.415 19382 3473 1 9 . 1 1 22 22 LYS H H 22 7.920 7.920 8.441 -0.521 19382 3474 1 9 . 1 1 23 23 ALA N N 23 123.201 123.201 120.911 2.290 19382 3475 1 9 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.284 0.039 19382 3476 1 9 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.493 0.528 19382 3477 1 9 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.618 0.406 19382 3478 1 9 . 1 1 23 23 ALA H H 23 7.915 7.915 7.479 0.436 19382 3479 1 9 . 1 1 24 24 LEU N N 24 116.213 116.213 118.449 -2.236 19382 3480 1 9 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.432 -0.265 19382 3481 1 9 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.010 1.085 19382 3482 1 9 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.586 -0.128 19382 3483 1 9 . 1 1 24 24 LEU H H 24 7.760 7.760 7.251 0.509 19382 3484 1 9 . 1 1 25 25 GLU N N 25 119.637 119.637 118.971 0.666 19382 3485 1 9 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.062 -0.299 19382 3486 1 9 . 1 1 25 25 GLU CA C 25 60.215 60.215 59.063 1.152 19382 3487 1 9 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.767 0.082 19382 3488 1 9 . 1 1 25 25 GLU H H 25 8.545 8.545 8.691 -0.146 19382 3489 1 9 . 1 1 26 26 ALA N N 26 121.001 121.001 120.935 0.066 19382 3490 1 9 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.198 0.000 19382 3491 1 9 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.399 0.682 19382 3492 1 9 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.821 -0.402 19382 3493 1 9 . 1 1 26 26 ALA H H 26 7.975 7.975 7.600 0.375 19382 3494 1 9 . 1 1 27 27 VAL N N 27 115.732 115.732 116.555 -0.823 19382 3495 1 9 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.820 0.123 19382 3496 1 9 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.349 0.898 19382 3497 1 9 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.654 0.100 19382 3498 1 9 . 1 1 27 27 VAL H H 27 7.817 7.817 7.593 0.224 19382 3499 1 9 . 1 1 28 28 PHE N N 28 115.329 115.329 118.429 -3.100 19382 3500 1 9 . 1 1 28 28 PHE HA H 28 4.642 4.642 5.084 -0.442 19382 3501 1 9 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.915 2.787 19382 3502 1 9 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.431 -1.147 19382 3503 1 9 . 1 1 28 28 PHE H H 28 8.607 8.607 7.716 0.891 19382 3504 1 9 . 1 1 29 29 GLY N N 29 108.306 108.306 107.169 1.137 19382 3505 1 9 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.517 0.888 19382 3506 1 9 . 1 1 29 29 GLY H H 29 8.425 8.425 7.762 0.663 19382 3507 1 9 . 1 1 30 30 LYS N N 30 117.374 117.374 118.941 -1.567 19382 3508 1 9 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.038 0.058 19382 3509 1 9 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.494 0.399 19382 3510 1 9 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.676 0.320 19382 3511 1 9 . 1 1 30 30 LYS H H 30 6.970 6.970 7.613 -0.643 19382 3512 1 9 . 1 1 31 31 TYR N N 31 115.689 115.689 116.675 -0.986 19382 3513 1 9 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.774 -0.479 19382 3514 1 9 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.038 1.775 19382 3515 1 9 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.614 -1.821 19382 3516 1 9 . 1 1 31 31 TYR H H 31 7.741 7.741 7.473 0.268 19382 3517 1 9 . 1 1 32 32 GLY N N 32 104.475 104.475 105.367 -0.892 19382 3518 1 9 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.311 -0.715 19382 3519 1 9 . 1 1 32 32 GLY H H 32 7.401 7.401 7.432 -0.031 19382 3520 1 9 . 1 1 33 33 ARG N N 33 116.936 116.936 120.568 -3.632 19382 3521 1 9 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.517 -0.235 19382 3522 1 9 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.430 2.473 19382 3523 1 9 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.293 -0.539 19382 3524 1 9 . 1 1 33 33 ARG H H 33 8.286 8.286 8.231 0.055 19382 3525 1 9 . 1 1 34 34 ILE N N 34 128.703 128.703 126.407 2.296 19382 3526 1 9 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.919 0.109 19382 3527 1 9 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.658 -1.807 19382 3528 1 9 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.502 1.435 19382 3529 1 9 . 1 1 34 34 ILE H H 34 8.797 8.797 8.408 0.389 19382 3530 1 9 . 1 1 35 35 VAL N N 35 122.207 122.207 123.361 -1.154 19382 3531 1 9 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.309 -0.033 19382 3532 1 9 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.544 -0.155 19382 3533 1 9 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.904 0.150 19382 3534 1 9 . 1 1 35 35 VAL H H 35 8.859 8.859 8.898 -0.039 19382 3535 1 9 . 1 1 36 36 GLU N N 36 118.922 118.922 119.116 -0.194 19382 3536 1 9 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.524 0.011 19382 3537 1 9 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.988 0.856 19382 3538 1 9 . 1 1 36 36 GLU CB C 36 34.132 34.132 32.911 1.221 19382 3539 1 9 . 1 1 36 36 GLU H H 36 7.228 7.228 7.669 -0.441 19382 3540 1 9 . 1 1 37 37 VAL N N 37 126.068 126.068 123.167 2.901 19382 3541 1 9 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.406 0.014 19382 3542 1 9 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.422 0.988 19382 3543 1 9 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.758 -0.850 19382 3544 1 9 . 1 1 37 37 VAL H H 37 8.607 8.607 8.548 0.059 19382 3545 1 9 . 1 1 38 38 LEU N N 38 129.638 129.638 125.101 4.537 19382 3546 1 9 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.785 0.007 19382 3547 1 9 . 1 1 38 38 LEU CA C 38 53.395 53.395 54.089 -0.694 19382 3548 1 9 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.658 -1.120 19382 3549 1 9 . 1 1 38 38 LEU H H 38 9.052 9.052 9.034 0.018 19382 3550 1 9 . 1 1 39 39 LEU N N 39 128.599 128.599 123.648 4.951 19382 3551 1 9 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.590 -0.190 19382 3552 1 9 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.651 -0.654 19382 3553 1 9 . 1 1 39 39 LEU CB C 39 44.232 44.232 45.324 -1.092 19382 3554 1 9 . 1 1 39 39 LEU H H 39 9.030 9.030 8.446 0.584 19382 3555 1 9 . 1 1 40 40 MET N N 40 125.937 125.937 124.643 1.294 19382 3556 1 9 . 1 1 40 40 MET HA H 40 4.595 4.595 4.762 -0.167 19382 3557 1 9 . 1 1 40 40 MET CA C 40 54.617 54.617 52.908 1.709 19382 3558 1 9 . 1 1 40 40 MET CB C 40 29.778 29.778 32.365 -2.587 19382 3559 1 9 . 1 1 40 40 MET H H 40 7.848 7.848 8.022 -0.174 19382 3560 1 9 . 1 1 41 41 LYS N N 41 122.049 122.049 119.648 2.401 19382 3561 1 9 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.880 0.031 19382 3562 1 9 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.598 0.110 19382 3563 1 9 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.491 0.851 19382 3564 1 9 . 1 1 41 41 LYS H H 41 8.444 8.444 8.273 0.171 19382 3565 1 9 . 1 1 42 42 ASP N N 42 123.896 123.896 121.794 2.102 19382 3566 1 9 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.524 0.161 19382 3567 1 9 . 1 1 42 42 ASP CB C 42 43.050 43.050 43.049 0.001 19382 3568 1 9 . 1 1 42 42 ASP H H 42 8.864 8.864 8.814 0.050 19382 3569 1 9 . 1 1 43 43 ARG N N 43 126.892 126.892 122.791 4.101 19382 3570 1 9 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.212 -0.057 19382 3571 1 9 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.604 1.186 19382 3572 1 9 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.724 -0.394 19382 3573 1 9 . 1 1 43 43 ARG H H 43 8.983 8.983 8.626 0.357 19382 3574 1 9 . 1 1 44 44 GLU N N 44 117.468 117.468 117.545 -0.077 19382 3575 1 9 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.478 -0.107 19382 3576 1 9 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.413 1.270 19382 3577 1 9 . 1 1 44 44 GLU CB C 44 30.160 30.160 30.597 -0.437 19382 3578 1 9 . 1 1 44 44 GLU H H 44 8.687 8.687 8.944 -0.257 19382 3579 1 9 . 1 1 45 45 THR N N 45 107.088 107.088 108.944 -1.856 19382 3580 1 9 . 1 1 45 45 THR HA H 45 4.447 4.447 4.623 -0.176 19382 3581 1 9 . 1 1 45 45 THR CA C 45 61.838 61.838 61.300 0.538 19382 3582 1 9 . 1 1 45 45 THR CB C 45 71.163 71.163 70.612 0.551 19382 3583 1 9 . 1 1 45 45 THR H H 45 8.172 8.172 7.820 0.352 19382 3584 1 9 . 1 1 46 46 ASN N N 46 117.525 117.525 116.663 0.862 19382 3585 1 9 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.476 0.020 19382 3586 1 9 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.916 0.111 19382 3587 1 9 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.097 1.444 19382 3588 1 9 . 1 1 46 46 ASN H H 46 8.389 8.389 7.986 0.403 19382 3589 1 9 . 1 1 47 47 LYS N N 47 117.695 117.695 119.178 -1.483 19382 3590 1 9 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.386 0.071 19382 3591 1 9 . 1 1 47 47 LYS CA C 47 55.547 55.547 55.096 0.451 19382 3592 1 9 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.284 0.784 19382 3593 1 9 . 1 1 47 47 LYS H H 47 7.649 7.649 7.473 0.176 19382 3594 1 9 . 1 1 48 48 SER N N 48 116.260 116.260 119.963 -3.703 19382 3595 1 9 . 1 1 48 48 SER HA H 48 4.384 4.384 4.438 -0.054 19382 3596 1 9 . 1 1 48 48 SER CA C 48 58.462 58.462 59.624 -1.162 19382 3597 1 9 . 1 1 48 48 SER CB C 48 64.621 64.621 63.430 1.191 19382 3598 1 9 . 1 1 48 48 SER H H 48 8.787 8.787 8.755 0.032 19382 3599 1 9 . 1 1 49 49 ARG N N 49 124.026 124.026 124.700 -0.674 19382 3600 1 9 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.298 0.161 19382 3601 1 9 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.140 0.601 19382 3602 1 9 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.143 1.757 19382 3603 1 9 . 1 1 49 49 ARG H H 49 9.079 9.079 8.699 0.380 19382 3604 1 9 . 1 1 50 50 GLY N N 50 106.539 106.539 106.074 0.465 19382 3605 1 9 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.504 0.344 19382 3606 1 9 . 1 1 50 50 GLY H H 50 9.178 9.178 8.447 0.731 19382 3607 1 9 . 1 1 51 51 PHE N N 51 112.056 112.056 115.717 -3.661 19382 3608 1 9 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.658 -0.362 19382 3609 1 9 . 1 1 51 51 PHE CA C 51 55.113 55.113 53.983 1.130 19382 3610 1 9 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.767 -0.365 19382 3611 1 9 . 1 1 51 51 PHE H H 51 7.004 7.004 7.261 -0.257 19382 3612 1 9 . 1 1 52 52 ALA N N 52 120.974 120.974 120.436 0.538 19382 3613 1 9 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.852 -0.013 19382 3614 1 9 . 1 1 52 52 ALA CA C 52 49.666 49.666 50.946 -1.280 19382 3615 1 9 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.072 3.520 19382 3616 1 9 . 1 1 52 52 ALA H H 52 8.832 8.832 7.734 1.098 19382 3617 1 9 . 1 1 53 53 PHE N N 53 113.680 113.680 115.468 -1.788 19382 3618 1 9 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.762 -0.089 19382 3619 1 9 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.578 -0.438 19382 3620 1 9 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.316 -1.655 19382 3621 1 9 . 1 1 53 53 PHE H H 53 8.710 8.710 7.933 0.777 19382 3622 1 9 . 1 1 54 54 VAL N N 54 124.889 124.889 119.275 5.614 19382 3623 1 9 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.736 -0.056 19382 3624 1 9 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.131 0.212 19382 3625 1 9 . 1 1 54 54 VAL H H 54 8.800 8.800 8.740 0.060 19382 3626 1 9 . 1 1 55 55 THR N N 55 123.052 123.052 124.740 -1.688 19382 3627 1 9 . 1 1 55 55 THR HA H 55 5.159 5.159 5.302 -0.143 19382 3628 1 9 . 1 1 55 55 THR CA C 55 61.912 61.912 61.472 0.440 19382 3629 1 9 . 1 1 55 55 THR CB C 55 69.698 69.698 70.147 -0.449 19382 3630 1 9 . 1 1 55 55 THR H H 55 8.943 8.943 8.941 0.002 19382 3631 1 9 . 1 1 56 56 PHE N N 56 128.514 128.514 125.487 3.027 19382 3632 1 9 . 1 1 56 56 PHE HA H 56 4.815 4.815 5.015 -0.200 19382 3633 1 9 . 1 1 56 56 PHE CA C 56 58.294 58.294 56.332 1.962 19382 3634 1 9 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.707 -0.041 19382 3635 1 9 . 1 1 56 56 PHE H H 56 8.917 8.917 9.331 -0.414 19382 3636 1 9 . 1 1 57 57 GLU N N 57 121.809 121.809 120.347 1.462 19382 3637 1 9 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.184 -0.232 19382 3638 1 9 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.044 1.458 19382 3639 1 9 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.376 0.175 19382 3640 1 9 . 1 1 57 57 GLU H H 57 8.240 8.240 8.699 -0.459 19382 3641 1 9 . 1 1 58 58 SER N N 58 112.478 112.478 112.018 0.460 19382 3642 1 9 . 1 1 58 58 SER HA H 58 5.333 5.333 4.816 0.517 19382 3643 1 9 . 1 1 58 58 SER CA C 58 53.261 53.261 54.783 -1.522 19382 3644 1 9 . 1 1 58 58 SER CB C 58 64.505 64.505 64.396 0.109 19382 3645 1 9 . 1 1 58 58 SER H H 58 9.461 9.461 7.896 1.565 19382 3646 1 9 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.653 -0.505 19382 3647 1 9 . 1 1 59 59 PRO CA C 59 65.069 65.069 63.653 1.417 19382 3648 1 9 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.900 0.502 19382 3649 1 9 . 1 1 60 60 ALA N N 60 120.882 120.882 121.325 -0.443 19382 3650 1 9 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.458 -0.360 19382 3651 1 9 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.997 2.358 19382 3652 1 9 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.792 -1.379 19382 3653 1 9 . 1 1 60 60 ALA H H 60 7.957 7.957 7.788 0.169 19382 3654 1 9 . 1 1 61 61 ASP N N 61 120.196 120.196 117.995 2.201 19382 3655 1 9 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.536 -0.232 19382 3656 1 9 . 1 1 61 61 ASP CA C 61 56.972 56.972 56.331 0.641 19382 3657 1 9 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.095 0.193 19382 3658 1 9 . 1 1 61 61 ASP H H 61 7.157 7.157 8.467 -1.310 19382 3659 1 9 . 1 1 62 62 ALA N N 62 119.636 119.636 122.902 -3.266 19382 3660 1 9 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.554 0.713 19382 3661 1 9 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.256 0.111 19382 3662 1 9 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.166 0.838 19382 3663 1 9 . 1 1 62 62 ALA H H 62 6.901 6.901 7.253 -0.352 19382 3664 1 9 . 1 1 63 63 LYS N N 63 117.322 117.322 117.110 0.212 19382 3665 1 9 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.860 0.115 19382 3666 1 9 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.468 0.170 19382 3667 1 9 . 1 1 63 63 LYS CB C 63 32.046 32.046 31.998 0.048 19382 3668 1 9 . 1 1 63 63 LYS H H 63 7.605 7.605 8.075 -0.470 19382 3669 1 9 . 1 1 64 64 ASP N N 64 120.944 120.944 117.759 3.185 19382 3670 1 9 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.403 -0.039 19382 3671 1 9 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.264 1.231 19382 3672 1 9 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.756 -0.252 19382 3673 1 9 . 1 1 64 64 ASP H H 64 7.488 7.488 7.691 -0.203 19382 3674 1 9 . 1 1 65 65 ALA N N 65 122.197 122.197 120.560 1.637 19382 3675 1 9 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.599 -0.246 19382 3676 1 9 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.076 0.407 19382 3677 1 9 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.134 0.718 19382 3678 1 9 . 1 1 65 65 ALA H H 65 7.806 7.806 7.142 0.664 19382 3679 1 9 . 1 1 66 66 ALA N N 66 118.722 118.722 118.899 -0.177 19382 3680 1 9 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.058 -0.199 19382 3681 1 9 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.758 1.623 19382 3682 1 9 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.551 -0.737 19382 3683 1 9 . 1 1 66 66 ALA H H 66 8.247 8.247 7.854 0.393 19382 3684 1 9 . 1 1 67 67 ARG N N 67 116.529 116.529 115.741 0.788 19382 3685 1 9 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.303 -0.197 19382 3686 1 9 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.729 2.205 19382 3687 1 9 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.423 -0.271 19382 3688 1 9 . 1 1 67 67 ARG H H 67 7.803 7.803 7.434 0.369 19382 3689 1 9 . 1 1 68 68 ASP N N 68 116.394 116.394 119.134 -2.740 19382 3690 1 9 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.697 0.035 19382 3691 1 9 . 1 1 68 68 ASP CB C 68 42.683 42.683 43.213 -0.530 19382 3692 1 9 . 1 1 68 68 ASP H H 68 7.800 7.800 8.102 -0.302 19382 3693 1 9 . 1 1 69 69 MET N N 69 111.832 111.832 115.590 -3.758 19382 3694 1 9 . 1 1 69 69 MET HA H 69 4.902 4.902 4.385 0.517 19382 3695 1 9 . 1 1 69 69 MET CA C 69 53.703 53.703 55.020 -1.317 19382 3696 1 9 . 1 1 69 69 MET CB C 69 32.130 32.130 32.671 -0.541 19382 3697 1 9 . 1 1 69 69 MET H H 69 8.203 8.203 7.935 0.268 19382 3698 1 9 . 1 1 70 70 ASN N N 70 116.507 116.507 118.198 -1.691 19382 3699 1 9 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.581 -0.122 19382 3700 1 9 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.588 2.385 19382 3701 1 9 . 1 1 70 70 ASN CB C 70 38.772 38.772 37.905 0.867 19382 3702 1 9 . 1 1 70 70 ASN H H 70 7.724 7.724 7.695 0.029 19382 3703 1 9 . 1 1 71 71 GLY N N 71 117.038 117.038 113.550 3.488 19382 3704 1 9 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.026 0.919 19382 3705 1 9 . 1 1 71 71 GLY H H 71 9.065 9.065 8.749 0.316 19382 3706 1 9 . 1 1 72 72 LYS N N 72 120.950 120.950 119.767 1.183 19382 3707 1 9 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.517 -0.082 19382 3708 1 9 . 1 1 72 72 LYS CA C 72 55.424 55.424 55.156 0.268 19382 3709 1 9 . 1 1 72 72 LYS CB C 72 33.056 33.056 34.650 -1.594 19382 3710 1 9 . 1 1 72 72 LYS H H 72 7.949 7.949 7.430 0.519 19382 3711 1 9 . 1 1 73 73 SER N N 73 112.847 112.847 115.127 -2.280 19382 3712 1 9 . 1 1 73 73 SER HA H 73 5.076 5.076 5.203 -0.127 19382 3713 1 9 . 1 1 73 73 SER CA C 73 57.821 57.821 56.581 1.240 19382 3714 1 9 . 1 1 73 73 SER CB C 73 64.481 64.481 65.069 -0.588 19382 3715 1 9 . 1 1 73 73 SER H H 73 8.078 8.078 8.290 -0.212 19382 3716 1 9 . 1 1 74 74 LEU N N 74 127.515 127.515 125.712 1.803 19382 3717 1 9 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.652 -0.061 19382 3718 1 9 . 1 1 74 74 LEU CA C 74 54.810 54.810 54.621 0.189 19382 3719 1 9 . 1 1 74 74 LEU CB C 74 44.722 44.722 45.832 -1.110 19382 3720 1 9 . 1 1 74 74 LEU H H 74 9.069 9.069 8.822 0.247 19382 3721 1 9 . 1 1 75 75 ASP N N 75 128.803 128.803 123.905 4.898 19382 3722 1 9 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.239 0.102 19382 3723 1 9 . 1 1 75 75 ASP CA C 75 55.686 55.686 56.255 -0.569 19382 3724 1 9 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.834 -1.405 19382 3725 1 9 . 1 1 75 75 ASP H H 75 9.565 9.565 9.217 0.348 19382 3726 1 9 . 1 1 76 76 GLY N N 76 101.959 101.959 104.563 -2.604 19382 3727 1 9 . 1 1 76 76 GLY CA C 76 45.659 45.659 44.966 0.693 19382 3728 1 9 . 1 1 76 76 GLY H H 76 8.447 8.447 8.121 0.326 19382 3729 1 9 . 1 1 77 77 LYS N N 77 120.026 120.026 122.387 -2.361 19382 3730 1 9 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.749 -0.037 19382 3731 1 9 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.511 0.391 19382 3732 1 9 . 1 1 77 77 LYS H H 77 7.417 7.417 8.130 -0.713 19382 3733 1 9 . 1 1 78 78 ALA N N 78 125.190 125.190 126.959 -1.769 19382 3734 1 9 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.816 -0.279 19382 3735 1 9 . 1 1 78 78 ALA CA C 78 51.602 51.602 52.111 -0.509 19382 3736 1 9 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.382 -1.154 19382 3737 1 9 . 1 1 78 78 ALA H H 78 8.304 8.304 8.708 -0.404 19382 3738 1 9 . 1 1 79 79 ILE N N 79 119.566 119.566 115.419 4.147 19382 3739 1 9 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.217 -0.374 19382 3740 1 9 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.823 1.954 19382 3741 1 9 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.189 -1.635 19382 3742 1 9 . 1 1 79 79 ILE H H 79 8.293 8.293 9.066 -0.773 19382 3743 1 9 . 1 1 80 80 LYS N N 80 123.948 123.948 121.435 2.513 19382 3744 1 9 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.025 -0.022 19382 3745 1 9 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.398 -0.070 19382 3746 1 9 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.387 -1.417 19382 3747 1 9 . 1 1 80 80 LYS H H 80 8.552 8.552 8.821 -0.269 19382 3748 1 9 . 1 1 81 81 VAL N N 81 123.950 123.950 122.565 1.385 19382 3749 1 9 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.293 0.007 19382 3750 1 9 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.551 0.472 19382 3751 1 9 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.541 0.160 19382 3752 1 9 . 1 1 81 81 VAL H H 81 8.753 8.753 8.653 0.100 19382 3753 1 9 . 1 1 82 82 GLU N N 82 123.264 123.264 125.578 -2.314 19382 3754 1 9 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.569 0.184 19382 3755 1 9 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.960 1.013 19382 3756 1 9 . 1 1 82 82 GLU H H 82 9.060 9.060 8.248 0.812 19382 3757 1 9 . 1 1 83 83 GLN N N 83 121.972 121.972 122.101 -0.129 19382 3758 1 9 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.579 -0.241 19382 3759 1 9 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.423 0.941 19382 3760 1 9 . 1 1 83 83 GLN CB C 83 28.986 28.986 29.027 -0.041 19382 3761 1 9 . 1 1 83 83 GLN H H 83 8.790 8.790 8.572 0.218 19382 3762 1 9 . 1 1 84 84 ALA N N 84 129.351 129.351 129.040 0.311 19382 3763 1 9 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.610 0.666 19382 3764 1 9 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.031 0.831 19382 3765 1 9 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.588 -0.827 19382 3766 1 9 . 1 1 84 84 ALA H H 84 9.051 9.051 8.570 0.481 19382 3767 1 9 . 1 1 85 85 THR HA H 85 4.767 4.767 5.076 -0.309 19382 3768 1 9 . 1 1 85 85 THR CB C 85 70.557 70.557 71.435 -0.878 19382 3769 1 9 . 1 1 86 86 LYS N N 86 120.733 120.733 121.340 -0.607 19382 3770 1 9 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.301 0.159 19382 3771 1 9 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.826 0.487 19382 3772 1 9 . 1 1 86 86 LYS H H 86 8.517 8.517 7.987 0.530 19382 3773 1 9 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.201 0.232 19382 3774 1 9 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.564 0.532 19382 3775 1 9 . 1 1 87 87 PRO CB C 87 32.118 32.118 31.568 0.550 19382 3776 1 9 . 1 1 88 88 SER N N 88 117.293 117.293 115.207 2.086 19382 3777 1 9 . 1 1 88 88 SER HA H 88 4.262 4.262 4.281 -0.019 19382 3778 1 9 . 1 1 88 88 SER CA C 88 59.204 59.204 59.595 -0.391 19382 3779 1 9 . 1 1 88 88 SER CB C 88 63.891 63.891 63.141 0.750 19382 3780 1 9 . 1 1 88 88 SER H H 88 8.508 8.508 8.273 0.235 19382 3781 1 9 . 1 1 89 89 PHE N N 89 120.710 120.710 117.668 3.042 19382 3782 1 9 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.998 -0.355 19382 3783 1 9 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.489 0.980 19382 3784 1 9 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.356 0.884 19382 3785 1 9 . 1 1 89 89 PHE H H 89 7.930 7.930 7.443 0.487 19382 3786 1 9 . 1 1 90 90 GLU N N 90 121.794 121.794 120.599 1.195 19382 3787 1 9 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.699 -0.412 19382 3788 1 9 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.432 1.269 19382 3789 1 9 . 1 1 90 90 GLU CB C 90 30.383 30.383 33.066 -2.683 19382 3790 1 9 . 1 1 90 90 GLU H H 90 8.099 8.099 7.612 0.487 19382 3791 1 9 . 1 1 91 91 SER N N 91 116.607 116.607 115.816 0.791 19382 3792 1 9 . 1 1 91 91 SER HA H 91 4.419 4.419 4.768 -0.349 19382 3793 1 9 . 1 1 91 91 SER CA C 91 59.090 59.090 56.841 2.249 19382 3794 1 9 . 1 1 91 91 SER CB C 91 64.011 64.011 65.020 -1.009 19382 3795 1 9 . 1 1 91 91 SER H H 91 8.194 8.194 8.616 -0.422 19382 3796 1 9 . 1 1 92 92 GLY N N 92 110.531 110.531 109.195 1.336 19382 3797 1 9 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.513 -0.020 19382 3798 1 9 . 1 1 92 92 GLY H H 92 8.395 8.395 8.684 -0.289 19382 3799 1 9 . 1 1 93 93 ARG N N 93 120.515 120.515 118.554 1.961 19382 3800 1 9 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.676 -0.278 19382 3801 1 9 . 1 1 93 93 ARG CA C 93 56.203 56.203 55.206 0.997 19382 3802 1 9 . 1 1 93 93 ARG CB C 93 31.056 31.056 32.750 -1.694 19382 3803 1 9 . 1 1 93 93 ARG H H 93 8.046 8.046 7.488 0.558 19382 3804 1 9 . 1 1 94 94 ARG N N 94 123.050 123.050 119.783 3.267 19382 3805 1 9 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.665 -0.257 19382 3806 1 9 . 1 1 94 94 ARG CB C 94 31.051 31.051 32.223 -1.172 19382 3807 1 9 . 1 1 94 94 ARG H H 94 8.403 8.403 8.383 0.020 19382 3808 1 10 . 1 1 2 2 VAL N N 2 120.711 120.711 121.107 -0.396 19382 3809 1 10 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.295 -0.055 19382 3810 1 10 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.621 -0.789 19382 3811 1 10 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.178 1.143 19382 3812 1 10 . 1 1 2 2 VAL H H 2 8.063 8.063 8.034 0.029 19382 3813 1 10 . 1 1 3 3 GLU N N 3 124.381 124.381 121.755 2.626 19382 3814 1 10 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.390 0.042 19382 3815 1 10 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.939 -0.279 19382 3816 1 10 . 1 1 3 3 GLU CB C 3 31.558 31.558 29.887 1.671 19382 3817 1 10 . 1 1 3 3 GLU H H 3 8.589 8.589 8.109 0.480 19382 3818 1 10 . 1 1 4 4 ALA N N 4 124.910 124.910 128.506 -3.596 19382 3819 1 10 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.792 -0.508 19382 3820 1 10 . 1 1 4 4 ALA CA C 4 53.537 53.537 50.379 3.158 19382 3821 1 10 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.299 -0.764 19382 3822 1 10 . 1 1 4 4 ALA H H 4 8.442 8.442 8.321 0.121 19382 3823 1 10 . 1 1 5 5 ASP N N 5 119.622 119.622 125.368 -5.746 19382 3824 1 10 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.554 0.089 19382 3825 1 10 . 1 1 5 5 ASP CB C 5 42.674 42.674 41.997 0.677 19382 3826 1 10 . 1 1 5 5 ASP H H 5 8.363 8.363 8.151 0.212 19382 3827 1 10 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.222 0.429 19382 3828 1 10 . 1 1 7 7 PRO CA C 7 64.065 64.065 64.050 0.015 19382 3829 1 10 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.829 0.094 19382 3830 1 10 . 1 1 8 8 GLY N N 8 110.020 110.020 109.754 0.266 19382 3831 1 10 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.141 0.232 19382 3832 1 10 . 1 1 8 8 GLY H H 8 8.879 8.879 8.590 0.289 19382 3833 1 10 . 1 1 9 9 LYS N N 9 121.894 121.894 124.216 -2.322 19382 3834 1 10 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.306 -0.169 19382 3835 1 10 . 1 1 9 9 LYS CA C 9 56.028 56.028 56.000 0.028 19382 3836 1 10 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.032 1.156 19382 3837 1 10 . 1 1 9 9 LYS H H 9 8.011 8.011 7.595 0.416 19382 3838 1 10 . 1 1 10 10 LEU N N 10 127.289 127.289 126.386 0.903 19382 3839 1 10 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.299 -0.319 19382 3840 1 10 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.084 0.410 19382 3841 1 10 . 1 1 10 10 LEU CB C 10 44.494 44.494 46.049 -1.555 19382 3842 1 10 . 1 1 10 10 LEU H H 10 9.536 9.536 9.117 0.419 19382 3843 1 10 . 1 1 11 11 PHE N N 11 123.068 123.068 123.255 -0.187 19382 3844 1 10 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.736 -0.318 19382 3845 1 10 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.803 1.365 19382 3846 1 10 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.417 -1.211 19382 3847 1 10 . 1 1 11 11 PHE H H 11 9.386 9.386 9.325 0.061 19382 3848 1 10 . 1 1 12 12 ILE N N 12 127.476 127.476 126.652 0.824 19382 3849 1 10 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.691 0.122 19382 3850 1 10 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.820 1.971 19382 3851 1 10 . 1 1 12 12 ILE H H 12 7.949 7.949 8.085 -0.136 19382 3852 1 10 . 1 1 13 13 GLY N N 13 110.661 110.661 110.386 0.275 19382 3853 1 10 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.410 0.340 19382 3854 1 10 . 1 1 13 13 GLY H H 13 8.939 8.939 7.568 1.371 19382 3855 1 10 . 1 1 14 14 GLY N N 14 107.213 107.213 111.203 -3.990 19382 3856 1 10 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.849 0.927 19382 3857 1 10 . 1 1 14 14 GLY H H 14 8.126 8.126 8.681 -0.555 19382 3858 1 10 . 1 1 15 15 LEU N N 15 115.288 115.288 119.388 -4.100 19382 3859 1 10 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.137 -0.080 19382 3860 1 10 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.055 -0.416 19382 3861 1 10 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.244 1.051 19382 3862 1 10 . 1 1 15 15 LEU H H 15 7.621 7.621 7.785 -0.164 19382 3863 1 10 . 1 1 16 16 ASN N N 16 120.674 120.674 117.722 2.952 19382 3864 1 10 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.679 -0.106 19382 3865 1 10 . 1 1 16 16 ASN CB C 16 38.631 38.631 39.674 -1.043 19382 3866 1 10 . 1 1 16 16 ASN H H 16 9.597 9.597 8.540 1.057 19382 3867 1 10 . 1 1 17 17 THR N N 17 122.538 122.538 112.983 9.555 19382 3868 1 10 . 1 1 17 17 THR HA H 17 3.900 3.900 4.210 -0.310 19382 3869 1 10 . 1 1 17 17 THR CA C 17 65.542 65.542 64.273 1.269 19382 3870 1 10 . 1 1 17 17 THR CB C 17 68.594 68.594 68.891 -0.298 19382 3871 1 10 . 1 1 17 17 THR H H 17 8.807 8.807 8.610 0.197 19382 3872 1 10 . 1 1 18 18 GLU N N 18 118.149 118.149 118.629 -0.480 19382 3873 1 10 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.529 -0.168 19382 3874 1 10 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.546 0.867 19382 3875 1 10 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.749 0.165 19382 3876 1 10 . 1 1 18 18 GLU H H 18 8.757 8.757 8.156 0.601 19382 3877 1 10 . 1 1 19 19 THR N N 19 119.146 119.146 118.709 0.437 19382 3878 1 10 . 1 1 19 19 THR HA H 19 4.088 4.088 4.350 -0.262 19382 3879 1 10 . 1 1 19 19 THR CA C 19 64.959 64.959 63.692 1.267 19382 3880 1 10 . 1 1 19 19 THR CB C 19 68.536 68.536 69.796 -1.260 19382 3881 1 10 . 1 1 19 19 THR H H 19 7.627 7.627 7.604 0.023 19382 3882 1 10 . 1 1 20 20 ASN N N 20 126.361 126.361 122.536 3.825 19382 3883 1 10 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.951 -0.035 19382 3884 1 10 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.948 -0.950 19382 3885 1 10 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.021 -0.667 19382 3886 1 10 . 1 1 20 20 ASN H H 20 8.076 8.076 8.393 -0.317 19382 3887 1 10 . 1 1 21 21 GLU N N 21 118.317 118.317 121.320 -3.003 19382 3888 1 10 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.063 -0.342 19382 3889 1 10 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.063 1.756 19382 3890 1 10 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.486 -0.615 19382 3891 1 10 . 1 1 21 21 GLU H H 21 10.233 10.233 8.719 1.514 19382 3892 1 10 . 1 1 22 22 LYS N N 22 118.930 118.930 118.918 0.012 19382 3893 1 10 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.096 0.068 19382 3894 1 10 . 1 1 22 22 LYS CA C 22 58.795 58.795 59.018 -0.223 19382 3895 1 10 . 1 1 22 22 LYS CB C 22 31.727 31.727 32.148 -0.421 19382 3896 1 10 . 1 1 22 22 LYS H H 22 7.920 7.920 8.408 -0.488 19382 3897 1 10 . 1 1 23 23 ALA N N 23 123.201 123.201 120.495 2.706 19382 3898 1 10 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.297 0.026 19382 3899 1 10 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.275 0.746 19382 3900 1 10 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.578 0.446 19382 3901 1 10 . 1 1 23 23 ALA H H 23 7.915 7.915 7.410 0.505 19382 3902 1 10 . 1 1 24 24 LEU N N 24 116.213 116.213 119.002 -2.789 19382 3903 1 10 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.324 -0.157 19382 3904 1 10 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.387 0.708 19382 3905 1 10 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.433 0.025 19382 3906 1 10 . 1 1 24 24 LEU H H 24 7.760 7.760 7.578 0.182 19382 3907 1 10 . 1 1 25 25 GLU N N 25 119.637 119.637 118.688 0.949 19382 3908 1 10 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.079 -0.316 19382 3909 1 10 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.940 1.275 19382 3910 1 10 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.714 0.135 19382 3911 1 10 . 1 1 25 25 GLU H H 25 8.545 8.545 8.674 -0.129 19382 3912 1 10 . 1 1 26 26 ALA N N 26 121.001 121.001 120.517 0.484 19382 3913 1 10 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.254 -0.056 19382 3914 1 10 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.338 0.743 19382 3915 1 10 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.940 -0.521 19382 3916 1 10 . 1 1 26 26 ALA H H 26 7.975 7.975 7.482 0.493 19382 3917 1 10 . 1 1 27 27 VAL N N 27 115.732 115.732 116.198 -0.466 19382 3918 1 10 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.970 -0.027 19382 3919 1 10 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.300 0.947 19382 3920 1 10 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.898 -0.144 19382 3921 1 10 . 1 1 27 27 VAL H H 27 7.817 7.817 7.503 0.314 19382 3922 1 10 . 1 1 28 28 PHE N N 28 115.329 115.329 117.959 -2.630 19382 3923 1 10 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.974 -0.332 19382 3924 1 10 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.641 3.061 19382 3925 1 10 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.433 -1.149 19382 3926 1 10 . 1 1 28 28 PHE H H 28 8.607 8.607 7.803 0.804 19382 3927 1 10 . 1 1 29 29 GLY N N 29 108.306 108.306 107.184 1.122 19382 3928 1 10 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.631 0.774 19382 3929 1 10 . 1 1 29 29 GLY H H 29 8.425 8.425 7.783 0.642 19382 3930 1 10 . 1 1 30 30 LYS N N 30 117.374 117.374 118.857 -1.483 19382 3931 1 10 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.065 0.031 19382 3932 1 10 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.502 0.391 19382 3933 1 10 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.735 0.261 19382 3934 1 10 . 1 1 30 30 LYS H H 30 6.970 6.970 7.674 -0.704 19382 3935 1 10 . 1 1 31 31 TYR N N 31 115.689 115.689 116.896 -1.207 19382 3936 1 10 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.790 -0.495 19382 3937 1 10 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.548 1.265 19382 3938 1 10 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.851 -2.058 19382 3939 1 10 . 1 1 31 31 TYR H H 31 7.741 7.741 7.569 0.172 19382 3940 1 10 . 1 1 32 32 GLY N N 32 104.475 104.475 104.546 -0.071 19382 3941 1 10 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.461 -0.865 19382 3942 1 10 . 1 1 32 32 GLY H H 32 7.401 7.401 7.507 -0.106 19382 3943 1 10 . 1 1 33 33 ARG N N 33 116.936 116.936 120.996 -4.060 19382 3944 1 10 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.425 -0.143 19382 3945 1 10 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.919 1.984 19382 3946 1 10 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.104 -0.350 19382 3947 1 10 . 1 1 33 33 ARG H H 33 8.286 8.286 8.504 -0.218 19382 3948 1 10 . 1 1 34 34 ILE N N 34 128.703 128.703 126.217 2.486 19382 3949 1 10 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.930 0.098 19382 3950 1 10 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.466 -1.615 19382 3951 1 10 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.498 1.439 19382 3952 1 10 . 1 1 34 34 ILE H H 34 8.797 8.797 8.485 0.312 19382 3953 1 10 . 1 1 35 35 VAL N N 35 122.207 122.207 122.963 -0.756 19382 3954 1 10 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.287 -0.010 19382 3955 1 10 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.554 -0.166 19382 3956 1 10 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.976 0.078 19382 3957 1 10 . 1 1 35 35 VAL H H 35 8.859 8.859 9.001 -0.142 19382 3958 1 10 . 1 1 36 36 GLU N N 36 118.922 118.922 119.459 -0.537 19382 3959 1 10 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.528 0.007 19382 3960 1 10 . 1 1 36 36 GLU CA C 36 56.844 56.844 56.086 0.758 19382 3961 1 10 . 1 1 36 36 GLU CB C 36 34.132 34.132 33.317 0.815 19382 3962 1 10 . 1 1 36 36 GLU H H 36 7.228 7.228 7.699 -0.471 19382 3963 1 10 . 1 1 37 37 VAL N N 37 126.068 126.068 123.071 2.997 19382 3964 1 10 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.371 0.049 19382 3965 1 10 . 1 1 37 37 VAL CA C 37 62.410 62.410 60.988 1.422 19382 3966 1 10 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.705 -0.797 19382 3967 1 10 . 1 1 37 37 VAL H H 37 8.607 8.607 8.566 0.041 19382 3968 1 10 . 1 1 38 38 LEU N N 38 129.638 129.638 125.789 3.849 19382 3969 1 10 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.793 -0.001 19382 3970 1 10 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.947 -0.551 19382 3971 1 10 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.353 -0.815 19382 3972 1 10 . 1 1 38 38 LEU H H 38 9.052 9.052 9.004 0.048 19382 3973 1 10 . 1 1 39 39 LEU N N 39 128.599 128.599 123.670 4.929 19382 3974 1 10 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.588 -0.188 19382 3975 1 10 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.481 -0.484 19382 3976 1 10 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.962 -0.731 19382 3977 1 10 . 1 1 39 39 LEU H H 39 9.030 9.030 8.423 0.607 19382 3978 1 10 . 1 1 40 40 MET N N 40 125.937 125.937 125.278 0.659 19382 3979 1 10 . 1 1 40 40 MET HA H 40 4.595 4.595 4.756 -0.161 19382 3980 1 10 . 1 1 40 40 MET CA C 40 54.617 54.617 53.213 1.404 19382 3981 1 10 . 1 1 40 40 MET CB C 40 29.778 29.778 32.488 -2.710 19382 3982 1 10 . 1 1 40 40 MET H H 40 7.848 7.848 8.150 -0.302 19382 3983 1 10 . 1 1 41 41 LYS N N 41 122.049 122.049 120.130 1.919 19382 3984 1 10 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.892 0.019 19382 3985 1 10 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.444 0.264 19382 3986 1 10 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.858 0.484 19382 3987 1 10 . 1 1 41 41 LYS H H 41 8.444 8.444 8.063 0.381 19382 3988 1 10 . 1 1 42 42 ASP N N 42 123.896 123.896 121.707 2.189 19382 3989 1 10 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.579 0.106 19382 3990 1 10 . 1 1 42 42 ASP CB C 42 43.050 43.050 42.265 0.785 19382 3991 1 10 . 1 1 42 42 ASP H H 42 8.864 8.864 8.759 0.105 19382 3992 1 10 . 1 1 43 43 ARG N N 43 126.892 126.892 120.247 6.645 19382 3993 1 10 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.582 -0.427 19382 3994 1 10 . 1 1 43 43 ARG CA C 43 58.790 58.790 56.935 1.855 19382 3995 1 10 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.890 -0.560 19382 3996 1 10 . 1 1 43 43 ARG H H 43 8.983 8.983 8.608 0.375 19382 3997 1 10 . 1 1 44 44 GLU N N 44 117.468 117.468 119.795 -2.327 19382 3998 1 10 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.419 -0.048 19382 3999 1 10 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.272 1.411 19382 4000 1 10 . 1 1 44 44 GLU CB C 44 30.160 30.160 30.613 -0.453 19382 4001 1 10 . 1 1 44 44 GLU H H 44 8.687 8.687 8.941 -0.254 19382 4002 1 10 . 1 1 45 45 THR N N 45 107.088 107.088 108.480 -1.392 19382 4003 1 10 . 1 1 45 45 THR HA H 45 4.447 4.447 4.475 -0.028 19382 4004 1 10 . 1 1 45 45 THR CA C 45 61.838 61.838 61.255 0.583 19382 4005 1 10 . 1 1 45 45 THR CB C 45 71.163 71.163 69.862 1.301 19382 4006 1 10 . 1 1 45 45 THR H H 45 8.172 8.172 7.626 0.546 19382 4007 1 10 . 1 1 46 46 ASN N N 46 117.525 117.525 116.152 1.373 19382 4008 1 10 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.557 -0.061 19382 4009 1 10 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.869 0.158 19382 4010 1 10 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.286 1.255 19382 4011 1 10 . 1 1 46 46 ASN H H 46 8.389 8.389 8.562 -0.172 19382 4012 1 10 . 1 1 47 47 LYS N N 47 117.695 117.695 119.042 -1.347 19382 4013 1 10 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.411 0.046 19382 4014 1 10 . 1 1 47 47 LYS CA C 47 55.547 55.547 54.803 0.744 19382 4015 1 10 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.532 0.536 19382 4016 1 10 . 1 1 47 47 LYS H H 47 7.649 7.649 7.448 0.201 19382 4017 1 10 . 1 1 48 48 SER N N 48 116.260 116.260 119.025 -2.765 19382 4018 1 10 . 1 1 48 48 SER HA H 48 4.384 4.384 4.420 -0.036 19382 4019 1 10 . 1 1 48 48 SER CA C 48 58.462 58.462 59.681 -1.219 19382 4020 1 10 . 1 1 48 48 SER CB C 48 64.621 64.621 63.418 1.203 19382 4021 1 10 . 1 1 48 48 SER H H 48 8.787 8.787 8.572 0.215 19382 4022 1 10 . 1 1 49 49 ARG N N 49 124.026 124.026 124.594 -0.568 19382 4023 1 10 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.238 0.221 19382 4024 1 10 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.275 0.466 19382 4025 1 10 . 1 1 49 49 ARG CB C 49 31.900 31.900 29.856 2.044 19382 4026 1 10 . 1 1 49 49 ARG H H 49 9.079 9.079 8.728 0.351 19382 4027 1 10 . 1 1 50 50 GLY N N 50 106.539 106.539 106.298 0.241 19382 4028 1 10 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.289 0.559 19382 4029 1 10 . 1 1 50 50 GLY H H 50 9.178 9.178 8.562 0.616 19382 4030 1 10 . 1 1 51 51 PHE N N 51 112.056 112.056 115.119 -3.063 19382 4031 1 10 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.654 -0.358 19382 4032 1 10 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.204 0.909 19382 4033 1 10 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.734 -0.332 19382 4034 1 10 . 1 1 51 51 PHE H H 51 7.004 7.004 7.131 -0.127 19382 4035 1 10 . 1 1 52 52 ALA N N 52 120.974 120.974 120.084 0.890 19382 4036 1 10 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.991 -0.152 19382 4037 1 10 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.088 -1.422 19382 4038 1 10 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.065 3.527 19382 4039 1 10 . 1 1 52 52 ALA H H 52 8.832 8.832 7.866 0.966 19382 4040 1 10 . 1 1 53 53 PHE N N 53 113.680 113.680 114.861 -1.181 19382 4041 1 10 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.650 0.023 19382 4042 1 10 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.975 -0.835 19382 4043 1 10 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.249 -1.588 19382 4044 1 10 . 1 1 53 53 PHE H H 53 8.710 8.710 8.005 0.705 19382 4045 1 10 . 1 1 54 54 VAL N N 54 124.889 124.889 119.661 5.228 19382 4046 1 10 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.641 0.039 19382 4047 1 10 . 1 1 54 54 VAL CB C 54 35.343 35.343 36.351 -1.008 19382 4048 1 10 . 1 1 54 54 VAL H H 54 8.800 8.800 8.697 0.103 19382 4049 1 10 . 1 1 55 55 THR N N 55 123.052 123.052 125.147 -2.095 19382 4050 1 10 . 1 1 55 55 THR HA H 55 5.159 5.159 5.228 -0.069 19382 4051 1 10 . 1 1 55 55 THR CA C 55 61.912 61.912 61.512 0.400 19382 4052 1 10 . 1 1 55 55 THR CB C 55 69.698 69.698 69.713 -0.015 19382 4053 1 10 . 1 1 55 55 THR H H 55 8.943 8.943 9.007 -0.064 19382 4054 1 10 . 1 1 56 56 PHE N N 56 128.514 128.514 125.908 2.606 19382 4055 1 10 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.944 -0.129 19382 4056 1 10 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.003 1.291 19382 4057 1 10 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.507 0.159 19382 4058 1 10 . 1 1 56 56 PHE H H 56 8.917 8.917 9.322 -0.405 19382 4059 1 10 . 1 1 57 57 GLU N N 57 121.809 121.809 121.492 0.317 19382 4060 1 10 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.206 -0.254 19382 4061 1 10 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.776 0.726 19382 4062 1 10 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.448 0.103 19382 4063 1 10 . 1 1 57 57 GLU H H 57 8.240 8.240 8.876 -0.636 19382 4064 1 10 . 1 1 58 58 SER N N 58 112.478 112.478 112.614 -0.136 19382 4065 1 10 . 1 1 58 58 SER HA H 58 5.333 5.333 4.992 0.341 19382 4066 1 10 . 1 1 58 58 SER CA C 58 53.261 53.261 54.104 -0.843 19382 4067 1 10 . 1 1 58 58 SER CB C 58 64.505 64.505 64.772 -0.267 19382 4068 1 10 . 1 1 58 58 SER H H 58 9.461 9.461 7.663 1.798 19382 4069 1 10 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.594 -0.446 19382 4070 1 10 . 1 1 59 59 PRO CA C 59 65.069 65.069 64.045 1.024 19382 4071 1 10 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.873 0.529 19382 4072 1 10 . 1 1 60 60 ALA N N 60 120.882 120.882 120.406 0.476 19382 4073 1 10 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.440 -0.342 19382 4074 1 10 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.929 2.426 19382 4075 1 10 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.788 -1.375 19382 4076 1 10 . 1 1 60 60 ALA H H 60 7.957 7.957 7.653 0.304 19382 4077 1 10 . 1 1 61 61 ASP N N 61 120.196 120.196 120.474 -0.278 19382 4078 1 10 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.485 -0.181 19382 4079 1 10 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.091 -0.119 19382 4080 1 10 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.534 -0.246 19382 4081 1 10 . 1 1 61 61 ASP H H 61 7.157 7.157 7.717 -0.560 19382 4082 1 10 . 1 1 62 62 ALA N N 62 119.636 119.636 121.175 -1.539 19382 4083 1 10 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.735 0.532 19382 4084 1 10 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.422 -0.055 19382 4085 1 10 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.177 0.827 19382 4086 1 10 . 1 1 62 62 ALA H H 62 6.901 6.901 7.359 -0.458 19382 4087 1 10 . 1 1 63 63 LYS N N 63 117.322 117.322 118.591 -1.269 19382 4088 1 10 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.889 0.086 19382 4089 1 10 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.466 0.172 19382 4090 1 10 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.159 -0.113 19382 4091 1 10 . 1 1 63 63 LYS H H 63 7.605 7.605 7.742 -0.137 19382 4092 1 10 . 1 1 64 64 ASP N N 64 120.944 120.944 118.219 2.725 19382 4093 1 10 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.389 -0.025 19382 4094 1 10 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.435 1.060 19382 4095 1 10 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.914 -0.410 19382 4096 1 10 . 1 1 64 64 ASP H H 64 7.488 7.488 7.696 -0.208 19382 4097 1 10 . 1 1 65 65 ALA N N 65 122.197 122.197 120.655 1.542 19382 4098 1 10 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.665 -0.312 19382 4099 1 10 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.202 0.281 19382 4100 1 10 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.007 0.845 19382 4101 1 10 . 1 1 65 65 ALA H H 65 7.806 7.806 7.159 0.647 19382 4102 1 10 . 1 1 66 66 ALA N N 66 118.722 118.722 118.837 -0.115 19382 4103 1 10 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.062 -0.203 19382 4104 1 10 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.728 1.653 19382 4105 1 10 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.564 -0.750 19382 4106 1 10 . 1 1 66 66 ALA H H 66 8.247 8.247 7.895 0.352 19382 4107 1 10 . 1 1 67 67 ARG N N 67 116.529 116.529 115.921 0.608 19382 4108 1 10 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.304 -0.198 19382 4109 1 10 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.730 2.204 19382 4110 1 10 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.477 -0.325 19382 4111 1 10 . 1 1 67 67 ARG H H 67 7.803 7.803 7.434 0.369 19382 4112 1 10 . 1 1 68 68 ASP N N 68 116.394 116.394 119.197 -2.803 19382 4113 1 10 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.652 0.079 19382 4114 1 10 . 1 1 68 68 ASP CB C 68 42.683 42.683 42.938 -0.255 19382 4115 1 10 . 1 1 68 68 ASP H H 68 7.800 7.800 8.220 -0.420 19382 4116 1 10 . 1 1 69 69 MET N N 69 111.832 111.832 117.370 -5.538 19382 4117 1 10 . 1 1 69 69 MET HA H 69 4.902 4.902 4.393 0.509 19382 4118 1 10 . 1 1 69 69 MET CA C 69 53.703 53.703 55.130 -1.427 19382 4119 1 10 . 1 1 69 69 MET CB C 69 32.130 32.130 32.456 -0.326 19382 4120 1 10 . 1 1 69 69 MET H H 69 8.203 8.203 8.089 0.114 19382 4121 1 10 . 1 1 70 70 ASN N N 70 116.507 116.507 117.928 -1.421 19382 4122 1 10 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.502 -0.043 19382 4123 1 10 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.745 2.228 19382 4124 1 10 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.138 0.634 19382 4125 1 10 . 1 1 70 70 ASN H H 70 7.724 7.724 7.678 0.046 19382 4126 1 10 . 1 1 71 71 GLY N N 71 117.038 117.038 112.838 4.200 19382 4127 1 10 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.200 0.745 19382 4128 1 10 . 1 1 71 71 GLY H H 71 9.065 9.065 8.336 0.729 19382 4129 1 10 . 1 1 72 72 LYS N N 72 120.950 120.950 120.351 0.599 19382 4130 1 10 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.566 -0.131 19382 4131 1 10 . 1 1 72 72 LYS CA C 72 55.424 55.424 55.191 0.234 19382 4132 1 10 . 1 1 72 72 LYS CB C 72 33.056 33.056 34.465 -1.409 19382 4133 1 10 . 1 1 72 72 LYS H H 72 7.949 7.949 7.559 0.390 19382 4134 1 10 . 1 1 73 73 SER N N 73 112.847 112.847 113.925 -1.078 19382 4135 1 10 . 1 1 73 73 SER HA H 73 5.076 5.076 5.028 0.048 19382 4136 1 10 . 1 1 73 73 SER CA C 73 57.821 57.821 57.229 0.592 19382 4137 1 10 . 1 1 73 73 SER CB C 73 64.481 64.481 64.576 -0.095 19382 4138 1 10 . 1 1 73 73 SER H H 73 8.078 8.078 8.380 -0.302 19382 4139 1 10 . 1 1 74 74 LEU N N 74 127.515 127.515 125.928 1.587 19382 4140 1 10 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.579 0.012 19382 4141 1 10 . 1 1 74 74 LEU CA C 74 54.810 54.810 56.432 -1.622 19382 4142 1 10 . 1 1 74 74 LEU CB C 74 44.722 44.722 42.876 1.846 19382 4143 1 10 . 1 1 74 74 LEU H H 74 9.069 9.069 8.511 0.558 19382 4144 1 10 . 1 1 75 75 ASP N N 75 128.803 128.803 115.548 13.255 19382 4145 1 10 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.740 -0.399 19382 4146 1 10 . 1 1 75 75 ASP CA C 75 55.686 55.686 53.865 1.821 19382 4147 1 10 . 1 1 75 75 ASP CB C 75 39.429 39.429 42.697 -3.268 19382 4148 1 10 . 1 1 75 75 ASP H H 75 9.565 9.565 8.290 1.275 19382 4149 1 10 . 1 1 76 76 GLY N N 76 101.959 101.959 106.941 -4.982 19382 4150 1 10 . 1 1 76 76 GLY CA C 76 45.659 45.659 45.512 0.147 19382 4151 1 10 . 1 1 76 76 GLY H H 76 8.447 8.447 7.662 0.785 19382 4152 1 10 . 1 1 77 77 LYS N N 77 120.026 120.026 120.504 -0.478 19382 4153 1 10 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.690 0.022 19382 4154 1 10 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.145 0.757 19382 4155 1 10 . 1 1 77 77 LYS H H 77 7.417 7.417 7.920 -0.503 19382 4156 1 10 . 1 1 78 78 ALA N N 78 125.190 125.190 127.211 -2.021 19382 4157 1 10 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.698 -0.161 19382 4158 1 10 . 1 1 78 78 ALA CA C 78 51.602 51.602 51.863 -0.261 19382 4159 1 10 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.414 -1.186 19382 4160 1 10 . 1 1 78 78 ALA H H 78 8.304 8.304 8.710 -0.406 19382 4161 1 10 . 1 1 79 79 ILE N N 79 119.566 119.566 116.655 2.911 19382 4162 1 10 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.177 -0.334 19382 4163 1 10 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.776 2.001 19382 4164 1 10 . 1 1 79 79 ILE CB C 79 40.554 40.554 41.757 -1.203 19382 4165 1 10 . 1 1 79 79 ILE H H 79 8.293 8.293 9.039 -0.746 19382 4166 1 10 . 1 1 80 80 LYS N N 80 123.948 123.948 121.154 2.794 19382 4167 1 10 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.077 -0.074 19382 4168 1 10 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.330 -0.002 19382 4169 1 10 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.367 -1.397 19382 4170 1 10 . 1 1 80 80 LYS H H 80 8.552 8.552 8.824 -0.272 19382 4171 1 10 . 1 1 81 81 VAL N N 81 123.950 123.950 124.861 -0.911 19382 4172 1 10 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.244 0.056 19382 4173 1 10 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.779 0.244 19382 4174 1 10 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.842 -0.141 19382 4175 1 10 . 1 1 81 81 VAL H H 81 8.753 8.753 8.297 0.456 19382 4176 1 10 . 1 1 82 82 GLU N N 82 123.264 123.264 124.298 -1.034 19382 4177 1 10 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.655 0.098 19382 4178 1 10 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.445 1.528 19382 4179 1 10 . 1 1 82 82 GLU H H 82 9.060 9.060 8.405 0.655 19382 4180 1 10 . 1 1 83 83 GLN N N 83 121.972 121.972 121.715 0.257 19382 4181 1 10 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.493 -0.155 19382 4182 1 10 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.205 1.159 19382 4183 1 10 . 1 1 83 83 GLN CB C 83 28.986 28.986 29.047 -0.061 19382 4184 1 10 . 1 1 83 83 GLN H H 83 8.790 8.790 8.533 0.257 19382 4185 1 10 . 1 1 84 84 ALA N N 84 129.351 129.351 130.416 -1.065 19382 4186 1 10 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.472 0.804 19382 4187 1 10 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.755 0.107 19382 4188 1 10 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.382 -0.621 19382 4189 1 10 . 1 1 84 84 ALA H H 84 9.051 9.051 8.078 0.973 19382 4190 1 10 . 1 1 85 85 THR HA H 85 4.767 4.767 5.028 -0.261 19382 4191 1 10 . 1 1 85 85 THR CB C 85 70.557 70.557 71.110 -0.553 19382 4192 1 10 . 1 1 86 86 LYS N N 86 120.733 120.733 121.627 -0.894 19382 4193 1 10 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.361 0.099 19382 4194 1 10 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.739 0.574 19382 4195 1 10 . 1 1 86 86 LYS H H 86 8.517 8.517 8.048 0.469 19382 4196 1 10 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.498 -0.065 19382 4197 1 10 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.733 0.363 19382 4198 1 10 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.294 -0.176 19382 4199 1 10 . 1 1 88 88 SER N N 88 117.293 117.293 115.975 1.318 19382 4200 1 10 . 1 1 88 88 SER HA H 88 4.262 4.262 4.435 -0.173 19382 4201 1 10 . 1 1 88 88 SER CA C 88 59.204 59.204 59.498 -0.294 19382 4202 1 10 . 1 1 88 88 SER CB C 88 63.891 63.891 63.160 0.731 19382 4203 1 10 . 1 1 88 88 SER H H 88 8.508 8.508 8.604 -0.096 19382 4204 1 10 . 1 1 89 89 PHE N N 89 120.710 120.710 118.359 2.351 19382 4205 1 10 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.881 -0.238 19382 4206 1 10 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.253 1.216 19382 4207 1 10 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.384 0.856 19382 4208 1 10 . 1 1 89 89 PHE H H 89 7.930 7.930 7.548 0.382 19382 4209 1 10 . 1 1 90 90 GLU N N 90 121.794 121.794 118.487 3.307 19382 4210 1 10 . 1 1 90 90 GLU HA H 90 4.287 4.287 3.681 0.606 19382 4211 1 10 . 1 1 90 90 GLU CA C 90 56.701 56.701 56.877 -0.176 19382 4212 1 10 . 1 1 90 90 GLU CB C 90 30.383 30.383 28.800 1.583 19382 4213 1 10 . 1 1 90 90 GLU H H 90 8.099 8.099 7.409 0.690 19382 4214 1 10 . 1 1 91 91 SER N N 91 116.607 116.607 116.130 0.477 19382 4215 1 10 . 1 1 91 91 SER HA H 91 4.419 4.419 4.341 0.078 19382 4216 1 10 . 1 1 91 91 SER CA C 91 59.090 59.090 57.285 1.804 19382 4217 1 10 . 1 1 91 91 SER CB C 91 64.011 64.011 63.820 0.191 19382 4218 1 10 . 1 1 91 91 SER H H 91 8.194 8.194 8.061 0.133 19382 4219 1 10 . 1 1 92 92 GLY N N 92 110.531 110.531 112.321 -1.790 19382 4220 1 10 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.645 -0.152 19382 4221 1 10 . 1 1 92 92 GLY H H 92 8.395 8.395 8.827 -0.432 19382 4222 1 10 . 1 1 93 93 ARG N N 93 120.515 120.515 117.313 3.202 19382 4223 1 10 . 1 1 93 93 ARG HA H 93 4.398 4.398 3.945 0.453 19382 4224 1 10 . 1 1 93 93 ARG CA C 93 56.203 56.203 57.946 -1.743 19382 4225 1 10 . 1 1 93 93 ARG CB C 93 31.056 31.056 30.018 1.038 19382 4226 1 10 . 1 1 93 93 ARG H H 93 8.046 8.046 8.347 -0.301 19382 4227 1 10 . 1 1 94 94 ARG N N 94 123.050 123.050 118.584 4.466 19382 4228 1 10 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.433 -0.025 19382 4229 1 10 . 1 1 94 94 ARG CB C 94 31.051 31.051 33.330 -2.279 19382 4230 1 10 . 1 1 94 94 ARG H H 94 8.403 8.403 7.757 0.646 19382 4231 1 11 . 1 1 2 2 VAL N N 2 120.711 120.711 126.792 -6.081 19382 4232 1 11 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.301 -0.061 19382 4233 1 11 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.022 -0.190 19382 4234 1 11 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.576 0.745 19382 4235 1 11 . 1 1 2 2 VAL H H 2 8.063 8.063 8.349 -0.286 19382 4236 1 11 . 1 1 3 3 GLU N N 3 124.381 124.381 128.021 -3.640 19382 4237 1 11 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.623 -0.191 19382 4238 1 11 . 1 1 3 3 GLU CA C 3 55.660 55.660 54.976 0.684 19382 4239 1 11 . 1 1 3 3 GLU CB C 3 31.558 31.558 32.674 -1.116 19382 4240 1 11 . 1 1 3 3 GLU H H 3 8.589 8.589 8.332 0.257 19382 4241 1 11 . 1 1 4 4 ALA N N 4 124.910 124.910 127.058 -2.148 19382 4242 1 11 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.832 -0.548 19382 4243 1 11 . 1 1 4 4 ALA CA C 4 53.537 53.537 50.600 2.937 19382 4244 1 11 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.439 -0.904 19382 4245 1 11 . 1 1 4 4 ALA H H 4 8.442 8.442 8.526 -0.084 19382 4246 1 11 . 1 1 5 5 ASP N N 5 119.622 119.622 124.688 -5.066 19382 4247 1 11 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.510 0.133 19382 4248 1 11 . 1 1 5 5 ASP CB C 5 42.674 42.674 42.623 0.051 19382 4249 1 11 . 1 1 5 5 ASP H H 5 8.363 8.363 8.404 -0.041 19382 4250 1 11 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.270 0.381 19382 4251 1 11 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.595 0.470 19382 4252 1 11 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.907 0.017 19382 4253 1 11 . 1 1 8 8 GLY N N 8 110.020 110.020 109.571 0.449 19382 4254 1 11 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.013 0.360 19382 4255 1 11 . 1 1 8 8 GLY H H 8 8.879 8.879 8.386 0.493 19382 4256 1 11 . 1 1 9 9 LYS N N 9 121.894 121.894 123.517 -1.623 19382 4257 1 11 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.483 -0.346 19382 4258 1 11 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.263 0.765 19382 4259 1 11 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.388 0.800 19382 4260 1 11 . 1 1 9 9 LYS H H 9 8.011 8.011 7.600 0.411 19382 4261 1 11 . 1 1 10 10 LEU N N 10 127.289 127.289 126.263 1.026 19382 4262 1 11 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.292 -0.312 19382 4263 1 11 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.131 0.363 19382 4264 1 11 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.800 -1.306 19382 4265 1 11 . 1 1 10 10 LEU H H 10 9.536 9.536 9.049 0.487 19382 4266 1 11 . 1 1 11 11 PHE N N 11 123.068 123.068 122.575 0.493 19382 4267 1 11 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.772 -0.354 19382 4268 1 11 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.825 1.343 19382 4269 1 11 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.509 -1.303 19382 4270 1 11 . 1 1 11 11 PHE H H 11 9.386 9.386 9.279 0.107 19382 4271 1 11 . 1 1 12 12 ILE N N 12 127.476 127.476 126.671 0.805 19382 4272 1 11 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.729 0.084 19382 4273 1 11 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.613 2.178 19382 4274 1 11 . 1 1 12 12 ILE H H 12 7.949 7.949 8.030 -0.081 19382 4275 1 11 . 1 1 13 13 GLY N N 13 110.661 110.661 110.050 0.611 19382 4276 1 11 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.612 0.138 19382 4277 1 11 . 1 1 13 13 GLY H H 13 8.939 8.939 7.633 1.306 19382 4278 1 11 . 1 1 14 14 GLY N N 14 107.213 107.213 110.962 -3.749 19382 4279 1 11 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.759 1.017 19382 4280 1 11 . 1 1 14 14 GLY H H 14 8.126 8.126 8.613 -0.487 19382 4281 1 11 . 1 1 15 15 LEU N N 15 115.288 115.288 119.041 -3.753 19382 4282 1 11 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.076 -0.019 19382 4283 1 11 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.169 -0.530 19382 4284 1 11 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.102 1.193 19382 4285 1 11 . 1 1 15 15 LEU H H 15 7.621 7.621 7.968 -0.347 19382 4286 1 11 . 1 1 16 16 ASN N N 16 120.674 120.674 117.523 3.151 19382 4287 1 11 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.597 -0.024 19382 4288 1 11 . 1 1 16 16 ASN CB C 16 38.631 38.631 39.119 -0.488 19382 4289 1 11 . 1 1 16 16 ASN H H 16 9.597 9.597 8.579 1.018 19382 4290 1 11 . 1 1 17 17 THR N N 17 122.538 122.538 106.685 15.853 19382 4291 1 11 . 1 1 17 17 THR HA H 17 3.900 3.900 3.961 -0.061 19382 4292 1 11 . 1 1 17 17 THR CA C 17 65.542 65.542 64.358 1.184 19382 4293 1 11 . 1 1 17 17 THR CB C 17 68.594 68.594 67.528 1.066 19382 4294 1 11 . 1 1 17 17 THR H H 17 8.807 8.807 8.333 0.474 19382 4295 1 11 . 1 1 18 18 GLU N N 18 118.149 118.149 119.005 -0.856 19382 4296 1 11 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.365 -0.004 19382 4297 1 11 . 1 1 18 18 GLU CA C 18 56.413 56.413 56.729 -0.316 19382 4298 1 11 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.428 0.486 19382 4299 1 11 . 1 1 18 18 GLU H H 18 8.757 8.757 8.540 0.217 19382 4300 1 11 . 1 1 19 19 THR N N 19 119.146 119.146 114.997 4.149 19382 4301 1 11 . 1 1 19 19 THR HA H 19 4.088 4.088 4.303 -0.215 19382 4302 1 11 . 1 1 19 19 THR CA C 19 64.959 64.959 63.099 1.859 19382 4303 1 11 . 1 1 19 19 THR CB C 19 68.536 68.536 69.631 -1.095 19382 4304 1 11 . 1 1 19 19 THR H H 19 7.627 7.627 7.897 -0.270 19382 4305 1 11 . 1 1 20 20 ASN N N 20 126.361 126.361 121.776 4.585 19382 4306 1 11 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.920 -0.004 19382 4307 1 11 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.822 -0.824 19382 4308 1 11 . 1 1 20 20 ASN CB C 20 40.354 40.354 40.387 -0.033 19382 4309 1 11 . 1 1 20 20 ASN H H 20 8.076 8.076 8.146 -0.070 19382 4310 1 11 . 1 1 21 21 GLU N N 21 118.317 118.317 120.323 -2.006 19382 4311 1 11 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.038 -0.317 19382 4312 1 11 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.183 1.637 19382 4313 1 11 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.445 -0.574 19382 4314 1 11 . 1 1 21 21 GLU H H 21 10.233 10.233 8.796 1.437 19382 4315 1 11 . 1 1 22 22 LYS N N 22 118.930 118.930 118.547 0.383 19382 4316 1 11 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.102 0.062 19382 4317 1 11 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.821 -0.026 19382 4318 1 11 . 1 1 22 22 LYS CB C 22 31.727 31.727 32.206 -0.479 19382 4319 1 11 . 1 1 22 22 LYS H H 22 7.920 7.920 8.434 -0.514 19382 4320 1 11 . 1 1 23 23 ALA N N 23 123.201 123.201 120.703 2.498 19382 4321 1 11 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.295 0.028 19382 4322 1 11 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.240 0.781 19382 4323 1 11 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.621 0.403 19382 4324 1 11 . 1 1 23 23 ALA H H 23 7.915 7.915 7.488 0.427 19382 4325 1 11 . 1 1 24 24 LEU N N 24 116.213 116.213 118.988 -2.775 19382 4326 1 11 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.294 -0.127 19382 4327 1 11 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.486 0.610 19382 4328 1 11 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.425 0.033 19382 4329 1 11 . 1 1 24 24 LEU H H 24 7.760 7.760 7.661 0.099 19382 4330 1 11 . 1 1 25 25 GLU N N 25 119.637 119.637 118.679 0.958 19382 4331 1 11 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.080 -0.317 19382 4332 1 11 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.951 1.264 19382 4333 1 11 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.683 0.166 19382 4334 1 11 . 1 1 25 25 GLU H H 25 8.545 8.545 8.330 0.215 19382 4335 1 11 . 1 1 26 26 ALA N N 26 121.001 121.001 120.480 0.521 19382 4336 1 11 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.264 -0.066 19382 4337 1 11 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.303 0.778 19382 4338 1 11 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.941 -0.522 19382 4339 1 11 . 1 1 26 26 ALA H H 26 7.975 7.975 7.493 0.482 19382 4340 1 11 . 1 1 27 27 VAL N N 27 115.732 115.732 116.226 -0.494 19382 4341 1 11 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.965 -0.022 19382 4342 1 11 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.270 0.977 19382 4343 1 11 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.875 -0.121 19382 4344 1 11 . 1 1 27 27 VAL H H 27 7.817 7.817 7.479 0.338 19382 4345 1 11 . 1 1 28 28 PHE N N 28 115.329 115.329 117.836 -2.507 19382 4346 1 11 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.980 -0.338 19382 4347 1 11 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.377 3.325 19382 4348 1 11 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.382 -1.098 19382 4349 1 11 . 1 1 28 28 PHE H H 28 8.607 8.607 7.748 0.859 19382 4350 1 11 . 1 1 29 29 GLY N N 29 108.306 108.306 107.274 1.032 19382 4351 1 11 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.640 0.765 19382 4352 1 11 . 1 1 29 29 GLY H H 29 8.425 8.425 7.776 0.649 19382 4353 1 11 . 1 1 30 30 LYS N N 30 117.374 117.374 118.914 -1.540 19382 4354 1 11 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.072 0.024 19382 4355 1 11 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.492 0.401 19382 4356 1 11 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.757 0.239 19382 4357 1 11 . 1 1 30 30 LYS H H 30 6.970 6.970 7.706 -0.736 19382 4358 1 11 . 1 1 31 31 TYR N N 31 115.689 115.689 116.941 -1.252 19382 4359 1 11 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.787 -0.492 19382 4360 1 11 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.571 1.242 19382 4361 1 11 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.916 -2.123 19382 4362 1 11 . 1 1 31 31 TYR H H 31 7.741 7.741 7.568 0.173 19382 4363 1 11 . 1 1 32 32 GLY N N 32 104.475 104.475 104.390 0.085 19382 4364 1 11 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.503 -0.907 19382 4365 1 11 . 1 1 32 32 GLY H H 32 7.401 7.401 7.549 -0.148 19382 4366 1 11 . 1 1 33 33 ARG N N 33 116.936 116.936 120.707 -3.771 19382 4367 1 11 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.406 -0.124 19382 4368 1 11 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.983 1.920 19382 4369 1 11 . 1 1 33 33 ARG CB C 33 30.754 30.754 30.656 0.098 19382 4370 1 11 . 1 1 33 33 ARG H H 33 8.286 8.286 8.527 -0.241 19382 4371 1 11 . 1 1 34 34 ILE N N 34 128.703 128.703 125.635 3.068 19382 4372 1 11 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.973 0.055 19382 4373 1 11 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.173 -1.322 19382 4374 1 11 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.820 1.117 19382 4375 1 11 . 1 1 34 34 ILE H H 34 8.797 8.797 8.481 0.316 19382 4376 1 11 . 1 1 35 35 VAL N N 35 122.207 122.207 122.990 -0.783 19382 4377 1 11 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.301 -0.024 19382 4378 1 11 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.636 -0.248 19382 4379 1 11 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.886 0.168 19382 4380 1 11 . 1 1 35 35 VAL H H 35 8.859 8.859 8.906 -0.047 19382 4381 1 11 . 1 1 36 36 GLU N N 36 118.922 118.922 118.439 0.483 19382 4382 1 11 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.529 0.006 19382 4383 1 11 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.970 0.874 19382 4384 1 11 . 1 1 36 36 GLU CB C 36 34.132 34.132 33.391 0.741 19382 4385 1 11 . 1 1 36 36 GLU H H 36 7.228 7.228 7.669 -0.441 19382 4386 1 11 . 1 1 37 37 VAL N N 37 126.068 126.068 123.369 2.699 19382 4387 1 11 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.310 0.110 19382 4388 1 11 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.216 1.194 19382 4389 1 11 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.811 -0.903 19382 4390 1 11 . 1 1 37 37 VAL H H 37 8.607 8.607 8.549 0.058 19382 4391 1 11 . 1 1 38 38 LEU N N 38 129.638 129.638 126.205 3.433 19382 4392 1 11 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.839 -0.047 19382 4393 1 11 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.757 -0.362 19382 4394 1 11 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.087 -0.549 19382 4395 1 11 . 1 1 38 38 LEU H H 38 9.052 9.052 8.959 0.093 19382 4396 1 11 . 1 1 39 39 LEU N N 39 128.599 128.599 123.420 5.179 19382 4397 1 11 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.539 -0.139 19382 4398 1 11 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.351 -0.354 19382 4399 1 11 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.456 -0.224 19382 4400 1 11 . 1 1 39 39 LEU H H 39 9.030 9.030 8.395 0.635 19382 4401 1 11 . 1 1 40 40 MET N N 40 125.937 125.937 125.205 0.732 19382 4402 1 11 . 1 1 40 40 MET HA H 40 4.595 4.595 4.758 -0.163 19382 4403 1 11 . 1 1 40 40 MET CA C 40 54.617 54.617 53.231 1.385 19382 4404 1 11 . 1 1 40 40 MET CB C 40 29.778 29.778 32.691 -2.913 19382 4405 1 11 . 1 1 40 40 MET H H 40 7.848 7.848 8.135 -0.287 19382 4406 1 11 . 1 1 41 41 LYS N N 41 122.049 122.049 119.874 2.175 19382 4407 1 11 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.715 0.196 19382 4408 1 11 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.633 0.075 19382 4409 1 11 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.442 0.900 19382 4410 1 11 . 1 1 41 41 LYS H H 41 8.444 8.444 8.282 0.162 19382 4411 1 11 . 1 1 42 42 ASP N N 42 123.896 123.896 121.765 2.131 19382 4412 1 11 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.496 0.189 19382 4413 1 11 . 1 1 42 42 ASP CB C 42 43.050 43.050 43.068 -0.018 19382 4414 1 11 . 1 1 42 42 ASP H H 42 8.864 8.864 8.735 0.129 19382 4415 1 11 . 1 1 43 43 ARG N N 43 126.892 126.892 122.741 4.151 19382 4416 1 11 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.249 -0.094 19382 4417 1 11 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.801 0.989 19382 4418 1 11 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.635 -0.305 19382 4419 1 11 . 1 1 43 43 ARG H H 43 8.983 8.983 8.570 0.413 19382 4420 1 11 . 1 1 44 44 GLU N N 44 117.468 117.468 117.986 -0.518 19382 4421 1 11 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.409 -0.038 19382 4422 1 11 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.332 1.351 19382 4423 1 11 . 1 1 44 44 GLU CB C 44 30.160 30.160 30.224 -0.064 19382 4424 1 11 . 1 1 44 44 GLU H H 44 8.687 8.687 8.981 -0.294 19382 4425 1 11 . 1 1 45 45 THR N N 45 107.088 107.088 109.724 -2.636 19382 4426 1 11 . 1 1 45 45 THR HA H 45 4.447 4.447 4.439 0.008 19382 4427 1 11 . 1 1 45 45 THR CA C 45 61.838 61.838 61.197 0.641 19382 4428 1 11 . 1 1 45 45 THR CB C 45 71.163 71.163 69.965 1.198 19382 4429 1 11 . 1 1 45 45 THR H H 45 8.172 8.172 7.645 0.527 19382 4430 1 11 . 1 1 46 46 ASN N N 46 117.525 117.525 117.446 0.079 19382 4431 1 11 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.527 -0.031 19382 4432 1 11 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.798 0.229 19382 4433 1 11 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.701 0.840 19382 4434 1 11 . 1 1 46 46 ASN H H 46 8.389 8.389 8.557 -0.168 19382 4435 1 11 . 1 1 47 47 LYS N N 47 117.695 117.695 119.014 -1.319 19382 4436 1 11 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.377 0.080 19382 4437 1 11 . 1 1 47 47 LYS CA C 47 55.547 55.547 55.362 0.185 19382 4438 1 11 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.279 0.789 19382 4439 1 11 . 1 1 47 47 LYS H H 47 7.649 7.649 7.454 0.195 19382 4440 1 11 . 1 1 48 48 SER N N 48 116.260 116.260 117.484 -1.224 19382 4441 1 11 . 1 1 48 48 SER HA H 48 4.384 4.384 4.383 0.001 19382 4442 1 11 . 1 1 48 48 SER CA C 48 58.462 58.462 58.923 -0.461 19382 4443 1 11 . 1 1 48 48 SER CB C 48 64.621 64.621 63.644 0.977 19382 4444 1 11 . 1 1 48 48 SER H H 48 8.787 8.787 8.862 -0.075 19382 4445 1 11 . 1 1 49 49 ARG N N 49 124.026 124.026 125.335 -1.309 19382 4446 1 11 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.240 0.219 19382 4447 1 11 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.497 0.244 19382 4448 1 11 . 1 1 49 49 ARG CB C 49 31.900 31.900 29.871 2.029 19382 4449 1 11 . 1 1 49 49 ARG H H 49 9.079 9.079 8.635 0.444 19382 4450 1 11 . 1 1 50 50 GLY N N 50 106.539 106.539 106.744 -0.205 19382 4451 1 11 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.493 0.355 19382 4452 1 11 . 1 1 50 50 GLY H H 50 9.178 9.178 8.109 1.069 19382 4453 1 11 . 1 1 51 51 PHE N N 51 112.056 112.056 114.981 -2.925 19382 4454 1 11 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.594 -0.298 19382 4455 1 11 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.105 1.008 19382 4456 1 11 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.535 -0.133 19382 4457 1 11 . 1 1 51 51 PHE H H 51 7.004 7.004 7.055 -0.051 19382 4458 1 11 . 1 1 52 52 ALA N N 52 120.974 120.974 119.888 1.086 19382 4459 1 11 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.962 -0.123 19382 4460 1 11 . 1 1 52 52 ALA CA C 52 49.666 49.666 50.907 -1.241 19382 4461 1 11 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.102 3.490 19382 4462 1 11 . 1 1 52 52 ALA H H 52 8.832 8.832 7.580 1.252 19382 4463 1 11 . 1 1 53 53 PHE N N 53 113.680 113.680 115.020 -1.340 19382 4464 1 11 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.669 0.004 19382 4465 1 11 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.564 -0.424 19382 4466 1 11 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.191 -1.530 19382 4467 1 11 . 1 1 53 53 PHE H H 53 8.710 8.710 7.997 0.713 19382 4468 1 11 . 1 1 54 54 VAL N N 54 124.889 124.889 119.870 5.019 19382 4469 1 11 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.693 -0.013 19382 4470 1 11 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.952 -0.609 19382 4471 1 11 . 1 1 54 54 VAL H H 54 8.800 8.800 8.529 0.271 19382 4472 1 11 . 1 1 55 55 THR N N 55 123.052 123.052 125.308 -2.256 19382 4473 1 11 . 1 1 55 55 THR HA H 55 5.159 5.159 5.327 -0.168 19382 4474 1 11 . 1 1 55 55 THR CA C 55 61.912 61.912 61.644 0.268 19382 4475 1 11 . 1 1 55 55 THR CB C 55 69.698 69.698 69.706 -0.008 19382 4476 1 11 . 1 1 55 55 THR H H 55 8.943 8.943 9.035 -0.092 19382 4477 1 11 . 1 1 56 56 PHE N N 56 128.514 128.514 125.867 2.647 19382 4478 1 11 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.803 0.012 19382 4479 1 11 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.075 1.219 19382 4480 1 11 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.409 0.257 19382 4481 1 11 . 1 1 56 56 PHE H H 56 8.917 8.917 9.479 -0.562 19382 4482 1 11 . 1 1 57 57 GLU N N 57 121.809 121.809 121.493 0.316 19382 4483 1 11 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.225 -0.273 19382 4484 1 11 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.429 1.073 19382 4485 1 11 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.605 -0.054 19382 4486 1 11 . 1 1 57 57 GLU H H 57 8.240 8.240 8.546 -0.306 19382 4487 1 11 . 1 1 58 58 SER N N 58 112.478 112.478 112.905 -0.427 19382 4488 1 11 . 1 1 58 58 SER HA H 58 5.333 5.333 4.971 0.362 19382 4489 1 11 . 1 1 58 58 SER CA C 58 53.261 53.261 54.109 -0.848 19382 4490 1 11 . 1 1 58 58 SER CB C 58 64.505 64.505 64.725 -0.220 19382 4491 1 11 . 1 1 58 58 SER H H 58 9.461 9.461 7.759 1.702 19382 4492 1 11 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.573 -0.425 19382 4493 1 11 . 1 1 59 59 PRO CA C 59 65.069 65.069 64.063 1.006 19382 4494 1 11 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.960 0.442 19382 4495 1 11 . 1 1 60 60 ALA N N 60 120.882 120.882 120.357 0.525 19382 4496 1 11 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.447 -0.349 19382 4497 1 11 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.882 2.473 19382 4498 1 11 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.760 -1.347 19382 4499 1 11 . 1 1 60 60 ALA H H 60 7.957 7.957 7.635 0.322 19382 4500 1 11 . 1 1 61 61 ASP N N 61 120.196 120.196 120.662 -0.466 19382 4501 1 11 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.502 -0.198 19382 4502 1 11 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.066 -0.094 19382 4503 1 11 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.577 -0.289 19382 4504 1 11 . 1 1 61 61 ASP H H 61 7.157 7.157 7.708 -0.551 19382 4505 1 11 . 1 1 62 62 ALA N N 62 119.636 119.636 121.217 -1.581 19382 4506 1 11 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.705 0.562 19382 4507 1 11 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.343 0.024 19382 4508 1 11 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.148 0.856 19382 4509 1 11 . 1 1 62 62 ALA H H 62 6.901 6.901 7.363 -0.462 19382 4510 1 11 . 1 1 63 63 LYS N N 63 117.322 117.322 118.100 -0.778 19382 4511 1 11 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.865 0.110 19382 4512 1 11 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.718 -0.080 19382 4513 1 11 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.098 -0.052 19382 4514 1 11 . 1 1 63 63 LYS H H 63 7.605 7.605 7.803 -0.198 19382 4515 1 11 . 1 1 64 64 ASP N N 64 120.944 120.944 118.060 2.884 19382 4516 1 11 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.381 -0.017 19382 4517 1 11 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.549 0.946 19382 4518 1 11 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.934 -0.430 19382 4519 1 11 . 1 1 64 64 ASP H H 64 7.488 7.488 7.747 -0.259 19382 4520 1 11 . 1 1 65 65 ALA N N 65 122.197 122.197 120.480 1.717 19382 4521 1 11 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.844 -0.491 19382 4522 1 11 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.191 0.291 19382 4523 1 11 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.020 0.832 19382 4524 1 11 . 1 1 65 65 ALA H H 65 7.806 7.806 7.134 0.672 19382 4525 1 11 . 1 1 66 66 ALA N N 66 118.722 118.722 118.716 0.006 19382 4526 1 11 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.098 -0.239 19382 4527 1 11 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.628 1.753 19382 4528 1 11 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.498 -0.684 19382 4529 1 11 . 1 1 66 66 ALA H H 66 8.247 8.247 7.790 0.458 19382 4530 1 11 . 1 1 67 67 ARG N N 67 116.529 116.529 115.324 1.205 19382 4531 1 11 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.352 -0.246 19382 4532 1 11 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.781 2.153 19382 4533 1 11 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.699 -0.547 19382 4534 1 11 . 1 1 67 67 ARG H H 67 7.803 7.803 7.388 0.415 19382 4535 1 11 . 1 1 68 68 ASP N N 68 116.394 116.394 118.188 -1.794 19382 4536 1 11 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.712 0.020 19382 4537 1 11 . 1 1 68 68 ASP CB C 68 42.683 42.683 42.875 -0.192 19382 4538 1 11 . 1 1 68 68 ASP H H 68 7.800 7.800 7.881 -0.081 19382 4539 1 11 . 1 1 69 69 MET N N 69 111.832 111.832 117.529 -5.697 19382 4540 1 11 . 1 1 69 69 MET HA H 69 4.902 4.902 4.436 0.466 19382 4541 1 11 . 1 1 69 69 MET CA C 69 53.703 53.703 54.697 -0.994 19382 4542 1 11 . 1 1 69 69 MET CB C 69 32.130 32.130 32.480 -0.350 19382 4543 1 11 . 1 1 69 69 MET H H 69 8.203 8.203 8.033 0.170 19382 4544 1 11 . 1 1 70 70 ASN N N 70 116.507 116.507 117.914 -1.407 19382 4545 1 11 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.583 -0.124 19382 4546 1 11 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.703 2.270 19382 4547 1 11 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.508 0.264 19382 4548 1 11 . 1 1 70 70 ASN H H 70 7.724 7.724 7.638 0.086 19382 4549 1 11 . 1 1 71 71 GLY N N 71 117.038 117.038 113.815 3.223 19382 4550 1 11 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.559 0.386 19382 4551 1 11 . 1 1 71 71 GLY H H 71 9.065 9.065 8.205 0.860 19382 4552 1 11 . 1 1 72 72 LYS N N 72 120.950 120.950 120.599 0.351 19382 4553 1 11 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.559 -0.124 19382 4554 1 11 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.898 0.526 19382 4555 1 11 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.586 -0.530 19382 4556 1 11 . 1 1 72 72 LYS H H 72 7.949 7.949 7.494 0.455 19382 4557 1 11 . 1 1 73 73 SER N N 73 112.847 112.847 113.323 -0.476 19382 4558 1 11 . 1 1 73 73 SER HA H 73 5.076 5.076 5.146 -0.070 19382 4559 1 11 . 1 1 73 73 SER CA C 73 57.821 57.821 56.629 1.192 19382 4560 1 11 . 1 1 73 73 SER CB C 73 64.481 64.481 64.901 -0.420 19382 4561 1 11 . 1 1 73 73 SER H H 73 8.078 8.078 8.391 -0.313 19382 4562 1 11 . 1 1 74 74 LEU N N 74 127.515 127.515 124.192 3.323 19382 4563 1 11 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.721 -0.130 19382 4564 1 11 . 1 1 74 74 LEU CA C 74 54.810 54.810 53.714 1.096 19382 4565 1 11 . 1 1 74 74 LEU CB C 74 44.722 44.722 45.167 -0.445 19382 4566 1 11 . 1 1 74 74 LEU H H 74 9.069 9.069 8.785 0.284 19382 4567 1 11 . 1 1 75 75 ASP N N 75 128.803 128.803 124.177 4.626 19382 4568 1 11 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.249 0.092 19382 4569 1 11 . 1 1 75 75 ASP CA C 75 55.686 55.686 56.172 -0.486 19382 4570 1 11 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.913 -1.484 19382 4571 1 11 . 1 1 75 75 ASP H H 75 9.565 9.565 9.191 0.374 19382 4572 1 11 . 1 1 76 76 GLY N N 76 101.959 101.959 104.464 -2.505 19382 4573 1 11 . 1 1 76 76 GLY CA C 76 45.659 45.659 44.942 0.717 19382 4574 1 11 . 1 1 76 76 GLY H H 76 8.447 8.447 8.115 0.332 19382 4575 1 11 . 1 1 77 77 LYS N N 77 120.026 120.026 122.080 -2.054 19382 4576 1 11 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.755 -0.043 19382 4577 1 11 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.898 0.004 19382 4578 1 11 . 1 1 77 77 LYS H H 77 7.417 7.417 8.082 -0.665 19382 4579 1 11 . 1 1 78 78 ALA N N 78 125.190 125.190 126.786 -1.596 19382 4580 1 11 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.871 -0.334 19382 4581 1 11 . 1 1 78 78 ALA CA C 78 51.602 51.602 52.124 -0.522 19382 4582 1 11 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.405 -1.177 19382 4583 1 11 . 1 1 78 78 ALA H H 78 8.304 8.304 8.667 -0.363 19382 4584 1 11 . 1 1 79 79 ILE N N 79 119.566 119.566 115.828 3.738 19382 4585 1 11 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.233 -0.390 19382 4586 1 11 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.815 1.962 19382 4587 1 11 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.116 -1.562 19382 4588 1 11 . 1 1 79 79 ILE H H 79 8.293 8.293 8.737 -0.444 19382 4589 1 11 . 1 1 80 80 LYS N N 80 123.948 123.948 120.483 3.465 19382 4590 1 11 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.031 -0.028 19382 4591 1 11 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.068 0.260 19382 4592 1 11 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.297 -1.327 19382 4593 1 11 . 1 1 80 80 LYS H H 80 8.552 8.552 8.721 -0.169 19382 4594 1 11 . 1 1 81 81 VAL N N 81 123.950 123.950 125.199 -1.249 19382 4595 1 11 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.215 0.085 19382 4596 1 11 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.738 0.285 19382 4597 1 11 . 1 1 81 81 VAL CB C 81 34.701 34.701 33.927 0.774 19382 4598 1 11 . 1 1 81 81 VAL H H 81 8.753 8.753 8.800 -0.047 19382 4599 1 11 . 1 1 82 82 GLU N N 82 123.264 123.264 124.588 -1.324 19382 4600 1 11 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.673 0.080 19382 4601 1 11 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.969 1.004 19382 4602 1 11 . 1 1 82 82 GLU H H 82 9.060 9.060 8.326 0.734 19382 4603 1 11 . 1 1 83 83 GLN N N 83 121.972 121.972 122.741 -0.769 19382 4604 1 11 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.512 -0.174 19382 4605 1 11 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.517 0.847 19382 4606 1 11 . 1 1 83 83 GLN CB C 83 28.986 28.986 28.879 0.107 19382 4607 1 11 . 1 1 83 83 GLN H H 83 8.790 8.790 8.511 0.279 19382 4608 1 11 . 1 1 84 84 ALA N N 84 129.351 129.351 130.662 -1.311 19382 4609 1 11 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.613 0.663 19382 4610 1 11 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.261 0.601 19382 4611 1 11 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.733 -0.972 19382 4612 1 11 . 1 1 84 84 ALA H H 84 9.051 9.051 8.687 0.364 19382 4613 1 11 . 1 1 85 85 THR HA H 85 4.767 4.767 4.780 -0.013 19382 4614 1 11 . 1 1 85 85 THR CB C 85 70.557 70.557 71.155 -0.598 19382 4615 1 11 . 1 1 86 86 LYS N N 86 120.733 120.733 121.254 -0.521 19382 4616 1 11 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.540 -0.080 19382 4617 1 11 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.901 0.411 19382 4618 1 11 . 1 1 86 86 LYS H H 86 8.517 8.517 8.010 0.507 19382 4619 1 11 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.508 -0.075 19382 4620 1 11 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.587 0.509 19382 4621 1 11 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.453 -0.334 19382 4622 1 11 . 1 1 88 88 SER N N 88 117.293 117.293 114.559 2.734 19382 4623 1 11 . 1 1 88 88 SER HA H 88 4.262 4.262 4.408 -0.146 19382 4624 1 11 . 1 1 88 88 SER CA C 88 59.204 59.204 59.147 0.057 19382 4625 1 11 . 1 1 88 88 SER CB C 88 63.891 63.891 63.452 0.439 19382 4626 1 11 . 1 1 88 88 SER H H 88 8.508 8.508 8.469 0.039 19382 4627 1 11 . 1 1 89 89 PHE N N 89 120.710 120.710 117.590 3.120 19382 4628 1 11 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.958 -0.315 19382 4629 1 11 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.698 0.771 19382 4630 1 11 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.254 0.986 19382 4631 1 11 . 1 1 89 89 PHE H H 89 7.930 7.930 7.733 0.197 19382 4632 1 11 . 1 1 90 90 GLU N N 90 121.794 121.794 118.976 2.818 19382 4633 1 11 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.483 -0.196 19382 4634 1 11 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.200 1.501 19382 4635 1 11 . 1 1 90 90 GLU CB C 90 30.383 30.383 32.942 -2.559 19382 4636 1 11 . 1 1 90 90 GLU H H 90 8.099 8.099 7.187 0.912 19382 4637 1 11 . 1 1 91 91 SER N N 91 116.607 116.607 117.350 -0.743 19382 4638 1 11 . 1 1 91 91 SER HA H 91 4.419 4.419 4.703 -0.284 19382 4639 1 11 . 1 1 91 91 SER CA C 91 59.090 59.090 57.051 2.039 19382 4640 1 11 . 1 1 91 91 SER CB C 91 64.011 64.011 63.839 0.172 19382 4641 1 11 . 1 1 91 91 SER H H 91 8.194 8.194 8.842 -0.648 19382 4642 1 11 . 1 1 92 92 GLY N N 92 110.531 110.531 109.062 1.469 19382 4643 1 11 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.746 -0.253 19382 4644 1 11 . 1 1 92 92 GLY H H 92 8.395 8.395 8.523 -0.128 19382 4645 1 11 . 1 1 93 93 ARG N N 93 120.515 120.515 117.918 2.597 19382 4646 1 11 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.492 -0.094 19382 4647 1 11 . 1 1 93 93 ARG CA C 93 56.203 56.203 55.974 0.229 19382 4648 1 11 . 1 1 93 93 ARG CB C 93 31.056 31.056 31.634 -0.578 19382 4649 1 11 . 1 1 93 93 ARG H H 93 8.046 8.046 8.280 -0.234 19382 4650 1 11 . 1 1 94 94 ARG N N 94 123.050 123.050 119.234 3.816 19382 4651 1 11 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.735 -0.327 19382 4652 1 11 . 1 1 94 94 ARG CB C 94 31.051 31.051 33.021 -1.970 19382 4653 1 11 . 1 1 94 94 ARG H H 94 8.403 8.403 8.051 0.352 19382 4654 1 12 . 1 1 2 2 VAL N N 2 120.711 120.711 122.582 -1.871 19382 4655 1 12 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.178 0.062 19382 4656 1 12 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.257 -0.425 19382 4657 1 12 . 1 1 2 2 VAL CB C 2 33.321 33.321 31.997 1.323 19382 4658 1 12 . 1 1 2 2 VAL H H 2 8.063 8.063 8.206 -0.143 19382 4659 1 12 . 1 1 3 3 GLU N N 3 124.381 124.381 121.185 3.196 19382 4660 1 12 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.420 0.012 19382 4661 1 12 . 1 1 3 3 GLU CA C 3 55.660 55.660 56.105 -0.445 19382 4662 1 12 . 1 1 3 3 GLU CB C 3 31.558 31.558 30.227 1.331 19382 4663 1 12 . 1 1 3 3 GLU H H 3 8.589 8.589 7.997 0.592 19382 4664 1 12 . 1 1 4 4 ALA N N 4 124.910 124.910 126.881 -1.971 19382 4665 1 12 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.498 -0.214 19382 4666 1 12 . 1 1 4 4 ALA CA C 4 53.537 53.537 51.340 2.197 19382 4667 1 12 . 1 1 4 4 ALA CB C 4 19.535 19.535 21.314 -1.779 19382 4668 1 12 . 1 1 4 4 ALA H H 4 8.442 8.442 8.097 0.345 19382 4669 1 12 . 1 1 5 5 ASP N N 5 119.622 119.622 126.372 -6.750 19382 4670 1 12 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.516 0.127 19382 4671 1 12 . 1 1 5 5 ASP CB C 5 42.674 42.674 39.947 2.727 19382 4672 1 12 . 1 1 5 5 ASP H H 5 8.363 8.363 8.752 -0.389 19382 4673 1 12 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.217 0.434 19382 4674 1 12 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.489 0.576 19382 4675 1 12 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.862 0.062 19382 4676 1 12 . 1 1 8 8 GLY N N 8 110.020 110.020 108.567 1.453 19382 4677 1 12 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.020 0.353 19382 4678 1 12 . 1 1 8 8 GLY H H 8 8.879 8.879 8.528 0.351 19382 4679 1 12 . 1 1 9 9 LYS N N 9 121.894 121.894 123.722 -1.828 19382 4680 1 12 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.461 -0.324 19382 4681 1 12 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.269 0.759 19382 4682 1 12 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.426 0.762 19382 4683 1 12 . 1 1 9 9 LYS H H 9 8.011 8.011 7.622 0.389 19382 4684 1 12 . 1 1 10 10 LEU N N 10 127.289 127.289 126.139 1.150 19382 4685 1 12 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.319 -0.339 19382 4686 1 12 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.163 0.331 19382 4687 1 12 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.757 -1.262 19382 4688 1 12 . 1 1 10 10 LEU H H 10 9.536 9.536 9.131 0.405 19382 4689 1 12 . 1 1 11 11 PHE N N 11 123.068 123.068 123.225 -0.157 19382 4690 1 12 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.787 -0.369 19382 4691 1 12 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.695 1.473 19382 4692 1 12 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.502 -1.296 19382 4693 1 12 . 1 1 11 11 PHE H H 11 9.386 9.386 9.328 0.058 19382 4694 1 12 . 1 1 12 12 ILE N N 12 127.476 127.476 126.594 0.882 19382 4695 1 12 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.702 0.111 19382 4696 1 12 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.867 1.924 19382 4697 1 12 . 1 1 12 12 ILE H H 12 7.949 7.949 8.060 -0.111 19382 4698 1 12 . 1 1 13 13 GLY N N 13 110.661 110.661 110.437 0.224 19382 4699 1 12 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.508 0.242 19382 4700 1 12 . 1 1 13 13 GLY H H 13 8.939 8.939 7.581 1.358 19382 4701 1 12 . 1 1 14 14 GLY N N 14 107.213 107.213 111.828 -4.615 19382 4702 1 12 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.783 0.993 19382 4703 1 12 . 1 1 14 14 GLY H H 14 8.126 8.126 8.630 -0.504 19382 4704 1 12 . 1 1 15 15 LEU N N 15 115.288 115.288 119.458 -4.170 19382 4705 1 12 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.135 -0.078 19382 4706 1 12 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.060 -0.421 19382 4707 1 12 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.275 1.020 19382 4708 1 12 . 1 1 15 15 LEU H H 15 7.621 7.621 7.953 -0.332 19382 4709 1 12 . 1 1 16 16 ASN N N 16 120.674 120.674 117.929 2.745 19382 4710 1 12 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.719 -0.146 19382 4711 1 12 . 1 1 16 16 ASN CB C 16 38.631 38.631 40.145 -1.514 19382 4712 1 12 . 1 1 16 16 ASN H H 16 9.597 9.597 8.275 1.322 19382 4713 1 12 . 1 1 17 17 THR N N 17 122.538 122.538 112.306 10.232 19382 4714 1 12 . 1 1 17 17 THR HA H 17 3.900 3.900 4.160 -0.260 19382 4715 1 12 . 1 1 17 17 THR CA C 17 65.542 65.542 64.124 1.419 19382 4716 1 12 . 1 1 17 17 THR CB C 17 68.594 68.594 68.742 -0.148 19382 4717 1 12 . 1 1 17 17 THR H H 17 8.807 8.807 8.594 0.213 19382 4718 1 12 . 1 1 18 18 GLU N N 18 118.149 118.149 118.261 -0.112 19382 4719 1 12 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.419 -0.058 19382 4720 1 12 . 1 1 18 18 GLU CA C 18 56.413 56.413 56.320 0.093 19382 4721 1 12 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.210 0.704 19382 4722 1 12 . 1 1 18 18 GLU H H 18 8.757 8.757 8.584 0.173 19382 4723 1 12 . 1 1 19 19 THR N N 19 119.146 119.146 117.758 1.388 19382 4724 1 12 . 1 1 19 19 THR HA H 19 4.088 4.088 4.220 -0.132 19382 4725 1 12 . 1 1 19 19 THR CA C 19 64.959 64.959 63.809 1.150 19382 4726 1 12 . 1 1 19 19 THR CB C 19 68.536 68.536 69.754 -1.218 19382 4727 1 12 . 1 1 19 19 THR H H 19 7.627 7.627 7.459 0.168 19382 4728 1 12 . 1 1 20 20 ASN N N 20 126.361 126.361 122.614 3.747 19382 4729 1 12 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.906 0.010 19382 4730 1 12 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.926 -0.928 19382 4731 1 12 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.272 -0.918 19382 4732 1 12 . 1 1 20 20 ASN H H 20 8.076 8.076 8.422 -0.346 19382 4733 1 12 . 1 1 21 21 GLU N N 21 118.317 118.317 121.256 -2.939 19382 4734 1 12 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.047 -0.326 19382 4735 1 12 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.080 1.740 19382 4736 1 12 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.460 -0.589 19382 4737 1 12 . 1 1 21 21 GLU H H 21 10.233 10.233 8.743 1.490 19382 4738 1 12 . 1 1 22 22 LYS N N 22 118.930 118.930 118.887 0.043 19382 4739 1 12 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.104 0.060 19382 4740 1 12 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.955 -0.160 19382 4741 1 12 . 1 1 22 22 LYS CB C 22 31.727 31.727 32.171 -0.444 19382 4742 1 12 . 1 1 22 22 LYS H H 22 7.920 7.920 8.390 -0.470 19382 4743 1 12 . 1 1 23 23 ALA N N 23 123.201 123.201 120.615 2.586 19382 4744 1 12 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.303 0.020 19382 4745 1 12 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.242 0.779 19382 4746 1 12 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.599 0.425 19382 4747 1 12 . 1 1 23 23 ALA H H 23 7.915 7.915 7.470 0.445 19382 4748 1 12 . 1 1 24 24 LEU N N 24 116.213 116.213 119.018 -2.805 19382 4749 1 12 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.302 -0.135 19382 4750 1 12 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.234 0.861 19382 4751 1 12 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.417 0.041 19382 4752 1 12 . 1 1 24 24 LEU H H 24 7.760 7.760 7.654 0.106 19382 4753 1 12 . 1 1 25 25 GLU N N 25 119.637 119.637 118.821 0.816 19382 4754 1 12 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.075 -0.312 19382 4755 1 12 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.977 1.238 19382 4756 1 12 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.708 0.141 19382 4757 1 12 . 1 1 25 25 GLU H H 25 8.545 8.545 8.562 -0.017 19382 4758 1 12 . 1 1 26 26 ALA N N 26 121.001 121.001 120.464 0.537 19382 4759 1 12 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.259 -0.061 19382 4760 1 12 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.341 0.740 19382 4761 1 12 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.944 -0.525 19382 4762 1 12 . 1 1 26 26 ALA H H 26 7.975 7.975 7.500 0.475 19382 4763 1 12 . 1 1 27 27 VAL N N 27 115.732 115.732 116.168 -0.436 19382 4764 1 12 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.987 -0.044 19382 4765 1 12 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.321 0.926 19382 4766 1 12 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.981 -0.227 19382 4767 1 12 . 1 1 27 27 VAL H H 27 7.817 7.817 7.516 0.301 19382 4768 1 12 . 1 1 28 28 PHE N N 28 115.329 115.329 118.359 -3.030 19382 4769 1 12 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.940 -0.298 19382 4770 1 12 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.894 2.808 19382 4771 1 12 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.313 -1.029 19382 4772 1 12 . 1 1 28 28 PHE H H 28 8.607 8.607 7.847 0.760 19382 4773 1 12 . 1 1 29 29 GLY N N 29 108.306 108.306 107.020 1.286 19382 4774 1 12 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.640 0.765 19382 4775 1 12 . 1 1 29 29 GLY H H 29 8.425 8.425 7.828 0.597 19382 4776 1 12 . 1 1 30 30 LYS N N 30 117.374 117.374 118.925 -1.551 19382 4777 1 12 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.088 0.008 19382 4778 1 12 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.447 0.446 19382 4779 1 12 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.819 0.177 19382 4780 1 12 . 1 1 30 30 LYS H H 30 6.970 6.970 7.553 -0.583 19382 4781 1 12 . 1 1 31 31 TYR N N 31 115.689 115.689 117.189 -1.500 19382 4782 1 12 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.781 -0.486 19382 4783 1 12 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.709 1.105 19382 4784 1 12 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.811 -2.018 19382 4785 1 12 . 1 1 31 31 TYR H H 31 7.741 7.741 7.516 0.225 19382 4786 1 12 . 1 1 32 32 GLY N N 32 104.475 104.475 104.391 0.084 19382 4787 1 12 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.439 -0.843 19382 4788 1 12 . 1 1 32 32 GLY H H 32 7.401 7.401 7.537 -0.136 19382 4789 1 12 . 1 1 33 33 ARG N N 33 116.936 116.936 121.188 -4.252 19382 4790 1 12 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.333 -0.051 19382 4791 1 12 . 1 1 33 33 ARG CA C 33 57.903 57.903 56.379 1.524 19382 4792 1 12 . 1 1 33 33 ARG CB C 33 30.754 30.754 30.958 -0.204 19382 4793 1 12 . 1 1 33 33 ARG H H 33 8.286 8.286 8.505 -0.219 19382 4794 1 12 . 1 1 34 34 ILE N N 34 128.703 128.703 126.410 2.293 19382 4795 1 12 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.997 0.031 19382 4796 1 12 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.315 -1.464 19382 4797 1 12 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.746 1.191 19382 4798 1 12 . 1 1 34 34 ILE H H 34 8.797 8.797 8.451 0.346 19382 4799 1 12 . 1 1 35 35 VAL N N 35 122.207 122.207 123.212 -1.005 19382 4800 1 12 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.324 -0.047 19382 4801 1 12 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.712 -0.323 19382 4802 1 12 . 1 1 35 35 VAL CB C 35 33.054 33.054 33.242 -0.188 19382 4803 1 12 . 1 1 35 35 VAL H H 35 8.859 8.859 8.814 0.045 19382 4804 1 12 . 1 1 36 36 GLU N N 36 118.922 118.922 119.236 -0.314 19382 4805 1 12 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.525 0.010 19382 4806 1 12 . 1 1 36 36 GLU CA C 36 56.844 56.844 56.000 0.844 19382 4807 1 12 . 1 1 36 36 GLU CB C 36 34.132 34.132 32.923 1.209 19382 4808 1 12 . 1 1 36 36 GLU H H 36 7.228 7.228 7.638 -0.410 19382 4809 1 12 . 1 1 37 37 VAL N N 37 126.068 126.068 122.935 3.133 19382 4810 1 12 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.369 0.051 19382 4811 1 12 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.413 0.997 19382 4812 1 12 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.918 -1.010 19382 4813 1 12 . 1 1 37 37 VAL H H 37 8.607 8.607 8.524 0.083 19382 4814 1 12 . 1 1 38 38 LEU N N 38 129.638 129.638 125.817 3.821 19382 4815 1 12 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.840 -0.048 19382 4816 1 12 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.663 -0.268 19382 4817 1 12 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.657 -1.119 19382 4818 1 12 . 1 1 38 38 LEU H H 38 9.052 9.052 8.982 0.070 19382 4819 1 12 . 1 1 39 39 LEU N N 39 128.599 128.599 123.573 5.026 19382 4820 1 12 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.531 -0.131 19382 4821 1 12 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.303 -0.306 19382 4822 1 12 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.636 -0.404 19382 4823 1 12 . 1 1 39 39 LEU H H 39 9.030 9.030 8.394 0.636 19382 4824 1 12 . 1 1 40 40 MET N N 40 125.937 125.937 124.976 0.961 19382 4825 1 12 . 1 1 40 40 MET HA H 40 4.595 4.595 4.755 -0.160 19382 4826 1 12 . 1 1 40 40 MET CA C 40 54.617 54.617 53.227 1.390 19382 4827 1 12 . 1 1 40 40 MET CB C 40 29.778 29.778 32.635 -2.857 19382 4828 1 12 . 1 1 40 40 MET H H 40 7.848 7.848 8.266 -0.418 19382 4829 1 12 . 1 1 41 41 LYS N N 41 122.049 122.049 121.157 0.892 19382 4830 1 12 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.514 0.397 19382 4831 1 12 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.650 0.058 19382 4832 1 12 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.040 1.302 19382 4833 1 12 . 1 1 41 41 LYS H H 41 8.444 8.444 8.264 0.180 19382 4834 1 12 . 1 1 42 42 ASP N N 42 123.896 123.896 120.580 3.316 19382 4835 1 12 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.479 0.206 19382 4836 1 12 . 1 1 42 42 ASP CB C 42 43.050 43.050 42.332 0.718 19382 4837 1 12 . 1 1 42 42 ASP H H 42 8.864 8.864 8.806 0.058 19382 4838 1 12 . 1 1 43 43 ARG N N 43 126.892 126.892 124.067 2.825 19382 4839 1 12 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.250 -0.095 19382 4840 1 12 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.205 1.585 19382 4841 1 12 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.316 0.014 19382 4842 1 12 . 1 1 43 43 ARG H H 43 8.983 8.983 8.687 0.296 19382 4843 1 12 . 1 1 44 44 GLU N N 44 117.468 117.468 117.186 0.282 19382 4844 1 12 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.507 -0.136 19382 4845 1 12 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.093 1.590 19382 4846 1 12 . 1 1 44 44 GLU CB C 44 30.160 30.160 31.471 -1.311 19382 4847 1 12 . 1 1 44 44 GLU H H 44 8.687 8.687 9.060 -0.373 19382 4848 1 12 . 1 1 45 45 THR N N 45 107.088 107.088 109.692 -2.604 19382 4849 1 12 . 1 1 45 45 THR HA H 45 4.447 4.447 4.496 -0.049 19382 4850 1 12 . 1 1 45 45 THR CA C 45 61.838 61.838 61.061 0.777 19382 4851 1 12 . 1 1 45 45 THR CB C 45 71.163 71.163 70.482 0.681 19382 4852 1 12 . 1 1 45 45 THR H H 45 8.172 8.172 7.826 0.346 19382 4853 1 12 . 1 1 46 46 ASN N N 46 117.525 117.525 119.715 -2.190 19382 4854 1 12 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.431 0.065 19382 4855 1 12 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.779 0.248 19382 4856 1 12 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.300 1.241 19382 4857 1 12 . 1 1 46 46 ASN H H 46 8.389 8.389 7.960 0.429 19382 4858 1 12 . 1 1 47 47 LYS N N 47 117.695 117.695 118.313 -0.618 19382 4859 1 12 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.203 0.254 19382 4860 1 12 . 1 1 47 47 LYS CA C 47 55.547 55.547 57.653 -2.106 19382 4861 1 12 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.197 0.871 19382 4862 1 12 . 1 1 47 47 LYS H H 47 7.649 7.649 7.596 0.053 19382 4863 1 12 . 1 1 48 48 SER N N 48 116.260 116.260 110.095 6.165 19382 4864 1 12 . 1 1 48 48 SER HA H 48 4.384 4.384 4.702 -0.318 19382 4865 1 12 . 1 1 48 48 SER CA C 48 58.462 58.462 56.624 1.838 19382 4866 1 12 . 1 1 48 48 SER CB C 48 64.621 64.621 64.812 -0.191 19382 4867 1 12 . 1 1 48 48 SER H H 48 8.787 8.787 8.186 0.601 19382 4868 1 12 . 1 1 49 49 ARG N N 49 124.026 124.026 125.273 -1.247 19382 4869 1 12 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.367 0.092 19382 4870 1 12 . 1 1 49 49 ARG CA C 49 56.741 56.741 55.980 0.761 19382 4871 1 12 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.150 1.750 19382 4872 1 12 . 1 1 49 49 ARG H H 49 9.079 9.079 8.670 0.409 19382 4873 1 12 . 1 1 50 50 GLY N N 50 106.539 106.539 106.885 -0.346 19382 4874 1 12 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.786 0.062 19382 4875 1 12 . 1 1 50 50 GLY H H 50 9.178 9.178 8.110 1.068 19382 4876 1 12 . 1 1 51 51 PHE N N 51 112.056 112.056 114.893 -2.837 19382 4877 1 12 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.641 -0.345 19382 4878 1 12 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.026 1.087 19382 4879 1 12 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.784 -0.382 19382 4880 1 12 . 1 1 51 51 PHE H H 51 7.004 7.004 7.059 -0.055 19382 4881 1 12 . 1 1 52 52 ALA N N 52 120.974 120.974 120.026 0.948 19382 4882 1 12 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.965 -0.126 19382 4883 1 12 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.062 -1.396 19382 4884 1 12 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.038 3.554 19382 4885 1 12 . 1 1 52 52 ALA H H 52 8.832 8.832 7.721 1.111 19382 4886 1 12 . 1 1 53 53 PHE N N 53 113.680 113.680 114.981 -1.301 19382 4887 1 12 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.661 0.012 19382 4888 1 12 . 1 1 53 53 PHE CA C 53 56.140 56.140 57.006 -0.866 19382 4889 1 12 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.325 -1.664 19382 4890 1 12 . 1 1 53 53 PHE H H 53 8.710 8.710 7.998 0.712 19382 4891 1 12 . 1 1 54 54 VAL N N 54 124.889 124.889 119.742 5.147 19382 4892 1 12 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.627 0.053 19382 4893 1 12 . 1 1 54 54 VAL CB C 54 35.343 35.343 36.290 -0.947 19382 4894 1 12 . 1 1 54 54 VAL H H 54 8.800 8.800 8.672 0.128 19382 4895 1 12 . 1 1 55 55 THR N N 55 123.052 123.052 125.425 -2.373 19382 4896 1 12 . 1 1 55 55 THR HA H 55 5.159 5.159 5.375 -0.216 19382 4897 1 12 . 1 1 55 55 THR CA C 55 61.912 61.912 61.591 0.321 19382 4898 1 12 . 1 1 55 55 THR CB C 55 69.698 69.698 69.749 -0.051 19382 4899 1 12 . 1 1 55 55 THR H H 55 8.943 8.943 8.995 -0.052 19382 4900 1 12 . 1 1 56 56 PHE N N 56 128.514 128.514 126.185 2.329 19382 4901 1 12 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.997 -0.182 19382 4902 1 12 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.200 1.094 19382 4903 1 12 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.758 -0.092 19382 4904 1 12 . 1 1 56 56 PHE H H 56 8.917 8.917 9.500 -0.583 19382 4905 1 12 . 1 1 57 57 GLU N N 57 121.809 121.809 121.425 0.384 19382 4906 1 12 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.222 -0.270 19382 4907 1 12 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.295 1.207 19382 4908 1 12 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.460 0.091 19382 4909 1 12 . 1 1 57 57 GLU H H 57 8.240 8.240 8.666 -0.426 19382 4910 1 12 . 1 1 58 58 SER N N 58 112.478 112.478 113.105 -0.627 19382 4911 1 12 . 1 1 58 58 SER HA H 58 5.333 5.333 4.967 0.366 19382 4912 1 12 . 1 1 58 58 SER CA C 58 53.261 53.261 54.344 -1.083 19382 4913 1 12 . 1 1 58 58 SER CB C 58 64.505 64.505 64.741 -0.236 19382 4914 1 12 . 1 1 58 58 SER H H 58 9.461 9.461 7.644 1.817 19382 4915 1 12 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.502 -0.354 19382 4916 1 12 . 1 1 59 59 PRO CA C 59 65.069 65.069 63.595 1.474 19382 4917 1 12 . 1 1 59 59 PRO CB C 59 32.402 32.402 32.164 0.237 19382 4918 1 12 . 1 1 60 60 ALA N N 60 120.882 120.882 121.066 -0.184 19382 4919 1 12 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.449 -0.351 19382 4920 1 12 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.918 2.437 19382 4921 1 12 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.770 -1.357 19382 4922 1 12 . 1 1 60 60 ALA H H 60 7.957 7.957 7.523 0.434 19382 4923 1 12 . 1 1 61 61 ASP N N 61 120.196 120.196 120.504 -0.308 19382 4924 1 12 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.479 -0.175 19382 4925 1 12 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.072 -0.100 19382 4926 1 12 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.532 -0.244 19382 4927 1 12 . 1 1 61 61 ASP H H 61 7.157 7.157 7.764 -0.607 19382 4928 1 12 . 1 1 62 62 ALA N N 62 119.636 119.636 121.144 -1.508 19382 4929 1 12 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.679 0.588 19382 4930 1 12 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.371 -0.004 19382 4931 1 12 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.188 0.816 19382 4932 1 12 . 1 1 62 62 ALA H H 62 6.901 6.901 7.294 -0.393 19382 4933 1 12 . 1 1 63 63 LYS N N 63 117.322 117.322 117.696 -0.374 19382 4934 1 12 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.884 0.091 19382 4935 1 12 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.599 0.039 19382 4936 1 12 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.029 0.017 19382 4937 1 12 . 1 1 63 63 LYS H H 63 7.605 7.605 7.922 -0.317 19382 4938 1 12 . 1 1 64 64 ASP N N 64 120.944 120.944 118.199 2.745 19382 4939 1 12 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.400 -0.036 19382 4940 1 12 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.410 1.085 19382 4941 1 12 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.946 -0.442 19382 4942 1 12 . 1 1 64 64 ASP H H 64 7.488 7.488 7.765 -0.277 19382 4943 1 12 . 1 1 65 65 ALA N N 65 122.197 122.197 120.379 1.818 19382 4944 1 12 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.724 -0.371 19382 4945 1 12 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.052 0.431 19382 4946 1 12 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.047 0.805 19382 4947 1 12 . 1 1 65 65 ALA H H 65 7.806 7.806 7.102 0.704 19382 4948 1 12 . 1 1 66 66 ALA N N 66 118.722 118.722 119.586 -0.864 19382 4949 1 12 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.104 -0.245 19382 4950 1 12 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.874 1.507 19382 4951 1 12 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.585 -0.771 19382 4952 1 12 . 1 1 66 66 ALA H H 66 8.247 8.247 7.785 0.462 19382 4953 1 12 . 1 1 67 67 ARG N N 67 116.529 116.529 115.400 1.129 19382 4954 1 12 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.320 -0.214 19382 4955 1 12 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.594 2.340 19382 4956 1 12 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.039 0.113 19382 4957 1 12 . 1 1 67 67 ARG H H 67 7.803 7.803 7.757 0.046 19382 4958 1 12 . 1 1 68 68 ASP N N 68 116.394 116.394 118.816 -2.422 19382 4959 1 12 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.753 -0.021 19382 4960 1 12 . 1 1 68 68 ASP CB C 68 42.683 42.683 43.267 -0.584 19382 4961 1 12 . 1 1 68 68 ASP H H 68 7.800 7.800 7.984 -0.184 19382 4962 1 12 . 1 1 69 69 MET N N 69 111.832 111.832 117.334 -5.502 19382 4963 1 12 . 1 1 69 69 MET HA H 69 4.902 4.902 4.307 0.595 19382 4964 1 12 . 1 1 69 69 MET CA C 69 53.703 53.703 57.453 -3.750 19382 4965 1 12 . 1 1 69 69 MET CB C 69 32.130 32.130 32.859 -0.729 19382 4966 1 12 . 1 1 69 69 MET H H 69 8.203 8.203 8.102 0.101 19382 4967 1 12 . 1 1 70 70 ASN N N 70 116.507 116.507 117.135 -0.628 19382 4968 1 12 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.563 -0.104 19382 4969 1 12 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.106 2.867 19382 4970 1 12 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.575 0.197 19382 4971 1 12 . 1 1 70 70 ASN H H 70 7.724 7.724 7.671 0.053 19382 4972 1 12 . 1 1 71 71 GLY N N 71 117.038 117.038 113.936 3.102 19382 4973 1 12 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.642 0.303 19382 4974 1 12 . 1 1 71 71 GLY H H 71 9.065 9.065 8.361 0.704 19382 4975 1 12 . 1 1 72 72 LYS N N 72 120.950 120.950 120.622 0.328 19382 4976 1 12 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.545 -0.110 19382 4977 1 12 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.764 0.660 19382 4978 1 12 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.574 -0.518 19382 4979 1 12 . 1 1 72 72 LYS H H 72 7.949 7.949 7.644 0.305 19382 4980 1 12 . 1 1 73 73 SER N N 73 112.847 112.847 112.915 -0.068 19382 4981 1 12 . 1 1 73 73 SER HA H 73 5.076 5.076 5.099 -0.023 19382 4982 1 12 . 1 1 73 73 SER CA C 73 57.821 57.821 56.552 1.269 19382 4983 1 12 . 1 1 73 73 SER CB C 73 64.481 64.481 65.215 -0.734 19382 4984 1 12 . 1 1 73 73 SER H H 73 8.078 8.078 8.190 -0.112 19382 4985 1 12 . 1 1 74 74 LEU N N 74 127.515 127.515 124.320 3.195 19382 4986 1 12 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.734 -0.143 19382 4987 1 12 . 1 1 74 74 LEU CA C 74 54.810 54.810 53.555 1.255 19382 4988 1 12 . 1 1 74 74 LEU CB C 74 44.722 44.722 45.198 -0.476 19382 4989 1 12 . 1 1 74 74 LEU H H 74 9.069 9.069 8.807 0.262 19382 4990 1 12 . 1 1 75 75 ASP N N 75 128.803 128.803 124.450 4.353 19382 4991 1 12 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.248 0.093 19382 4992 1 12 . 1 1 75 75 ASP CA C 75 55.686 55.686 56.227 -0.541 19382 4993 1 12 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.895 -1.466 19382 4994 1 12 . 1 1 75 75 ASP H H 75 9.565 9.565 9.191 0.374 19382 4995 1 12 . 1 1 76 76 GLY N N 76 101.959 101.959 104.693 -2.734 19382 4996 1 12 . 1 1 76 76 GLY CA C 76 45.659 45.659 44.912 0.747 19382 4997 1 12 . 1 1 76 76 GLY H H 76 8.447 8.447 8.121 0.326 19382 4998 1 12 . 1 1 77 77 LYS N N 77 120.026 120.026 122.308 -2.282 19382 4999 1 12 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.746 -0.034 19382 5000 1 12 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.459 0.443 19382 5001 1 12 . 1 1 77 77 LYS H H 77 7.417 7.417 8.153 -0.736 19382 5002 1 12 . 1 1 78 78 ALA N N 78 125.190 125.190 127.367 -2.177 19382 5003 1 12 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.856 -0.319 19382 5004 1 12 . 1 1 78 78 ALA CA C 78 51.602 51.602 52.020 -0.418 19382 5005 1 12 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.475 -1.247 19382 5006 1 12 . 1 1 78 78 ALA H H 78 8.304 8.304 8.696 -0.392 19382 5007 1 12 . 1 1 79 79 ILE N N 79 119.566 119.566 115.706 3.860 19382 5008 1 12 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.269 -0.426 19382 5009 1 12 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.703 2.074 19382 5010 1 12 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.225 -1.671 19382 5011 1 12 . 1 1 79 79 ILE H H 79 8.293 8.293 8.739 -0.446 19382 5012 1 12 . 1 1 80 80 LYS N N 80 123.948 123.948 121.185 2.763 19382 5013 1 12 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.062 -0.059 19382 5014 1 12 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.080 0.248 19382 5015 1 12 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.412 -1.442 19382 5016 1 12 . 1 1 80 80 LYS H H 80 8.552 8.552 8.781 -0.229 19382 5017 1 12 . 1 1 81 81 VAL N N 81 123.950 123.950 124.133 -0.183 19382 5018 1 12 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.344 -0.044 19382 5019 1 12 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.062 0.961 19382 5020 1 12 . 1 1 81 81 VAL CB C 81 34.701 34.701 33.816 0.885 19382 5021 1 12 . 1 1 81 81 VAL H H 81 8.753 8.753 8.406 0.347 19382 5022 1 12 . 1 1 82 82 GLU N N 82 123.264 123.264 123.566 -0.302 19382 5023 1 12 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.650 0.103 19382 5024 1 12 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.785 1.188 19382 5025 1 12 . 1 1 82 82 GLU H H 82 9.060 9.060 8.417 0.643 19382 5026 1 12 . 1 1 83 83 GLN N N 83 121.972 121.972 121.864 0.108 19382 5027 1 12 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.534 -0.196 19382 5028 1 12 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.486 0.878 19382 5029 1 12 . 1 1 83 83 GLN CB C 83 28.986 28.986 29.080 -0.094 19382 5030 1 12 . 1 1 83 83 GLN H H 83 8.790 8.790 8.574 0.216 19382 5031 1 12 . 1 1 84 84 ALA N N 84 129.351 129.351 129.016 0.335 19382 5032 1 12 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.523 0.753 19382 5033 1 12 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.237 0.625 19382 5034 1 12 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.413 -0.652 19382 5035 1 12 . 1 1 84 84 ALA H H 84 9.051 9.051 8.735 0.316 19382 5036 1 12 . 1 1 85 85 THR HA H 85 4.767 4.767 4.511 0.256 19382 5037 1 12 . 1 1 85 85 THR CB C 85 70.557 70.557 71.422 -0.865 19382 5038 1 12 . 1 1 86 86 LYS N N 86 120.733 120.733 121.356 -0.623 19382 5039 1 12 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.339 0.121 19382 5040 1 12 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.746 0.567 19382 5041 1 12 . 1 1 86 86 LYS H H 86 8.517 8.517 8.460 0.057 19382 5042 1 12 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.259 0.174 19382 5043 1 12 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.449 0.647 19382 5044 1 12 . 1 1 87 87 PRO CB C 87 32.118 32.118 31.862 0.256 19382 5045 1 12 . 1 1 88 88 SER N N 88 117.293 117.293 115.562 1.731 19382 5046 1 12 . 1 1 88 88 SER HA H 88 4.262 4.262 4.229 0.033 19382 5047 1 12 . 1 1 88 88 SER CA C 88 59.204 59.204 59.713 -0.509 19382 5048 1 12 . 1 1 88 88 SER CB C 88 63.891 63.891 63.173 0.718 19382 5049 1 12 . 1 1 88 88 SER H H 88 8.508 8.508 8.292 0.216 19382 5050 1 12 . 1 1 89 89 PHE N N 89 120.710 120.710 116.722 3.988 19382 5051 1 12 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.954 -0.311 19382 5052 1 12 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.820 0.649 19382 5053 1 12 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.574 0.666 19382 5054 1 12 . 1 1 89 89 PHE H H 89 7.930 7.930 7.690 0.240 19382 5055 1 12 . 1 1 90 90 GLU N N 90 121.794 121.794 119.800 1.994 19382 5056 1 12 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.641 -0.354 19382 5057 1 12 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.413 1.288 19382 5058 1 12 . 1 1 90 90 GLU CB C 90 30.383 30.383 32.660 -2.277 19382 5059 1 12 . 1 1 90 90 GLU H H 90 8.099 8.099 7.414 0.685 19382 5060 1 12 . 1 1 91 91 SER N N 91 116.607 116.607 115.596 1.011 19382 5061 1 12 . 1 1 91 91 SER HA H 91 4.419 4.419 4.745 -0.326 19382 5062 1 12 . 1 1 91 91 SER CA C 91 59.090 59.090 56.933 2.157 19382 5063 1 12 . 1 1 91 91 SER CB C 91 64.011 64.011 65.264 -1.253 19382 5064 1 12 . 1 1 91 91 SER H H 91 8.194 8.194 8.339 -0.145 19382 5065 1 12 . 1 1 92 92 GLY N N 92 110.531 110.531 108.736 1.795 19382 5066 1 12 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.489 0.004 19382 5067 1 12 . 1 1 92 92 GLY H H 92 8.395 8.395 8.749 -0.354 19382 5068 1 12 . 1 1 93 93 ARG N N 93 120.515 120.515 118.138 2.377 19382 5069 1 12 . 1 1 93 93 ARG HA H 93 4.398 4.398 3.927 0.471 19382 5070 1 12 . 1 1 93 93 ARG CA C 93 56.203 56.203 57.001 -0.798 19382 5071 1 12 . 1 1 93 93 ARG CB C 93 31.056 31.056 27.076 3.980 19382 5072 1 12 . 1 1 93 93 ARG H H 93 8.046 8.046 7.915 0.131 19382 5073 1 12 . 1 1 94 94 ARG N N 94 123.050 123.050 119.785 3.265 19382 5074 1 12 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.505 -0.097 19382 5075 1 12 . 1 1 94 94 ARG CB C 94 31.051 31.051 31.935 -0.884 19382 5076 1 12 . 1 1 94 94 ARG H H 94 8.403 8.403 7.937 0.466 19382 5077 1 13 . 1 1 2 2 VAL N N 2 120.711 120.711 124.447 -3.736 19382 5078 1 13 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.378 -0.138 19382 5079 1 13 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.674 -0.842 19382 5080 1 13 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.620 0.701 19382 5081 1 13 . 1 1 2 2 VAL H H 2 8.063 8.063 8.194 -0.131 19382 5082 1 13 . 1 1 3 3 GLU N N 3 124.381 124.381 121.523 2.858 19382 5083 1 13 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.405 0.027 19382 5084 1 13 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.998 -0.338 19382 5085 1 13 . 1 1 3 3 GLU CB C 3 31.558 31.558 30.388 1.170 19382 5086 1 13 . 1 1 3 3 GLU H H 3 8.589 8.589 8.052 0.537 19382 5087 1 13 . 1 1 4 4 ALA N N 4 124.910 124.910 127.155 -2.245 19382 5088 1 13 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.542 -0.258 19382 5089 1 13 . 1 1 4 4 ALA CA C 4 53.537 53.537 50.973 2.564 19382 5090 1 13 . 1 1 4 4 ALA CB C 4 19.535 19.535 21.122 -1.587 19382 5091 1 13 . 1 1 4 4 ALA H H 4 8.442 8.442 8.235 0.207 19382 5092 1 13 . 1 1 5 5 ASP N N 5 119.622 119.622 127.283 -7.661 19382 5093 1 13 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.554 0.089 19382 5094 1 13 . 1 1 5 5 ASP CB C 5 42.674 42.674 39.514 3.160 19382 5095 1 13 . 1 1 5 5 ASP H H 5 8.363 8.363 8.790 -0.427 19382 5096 1 13 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.214 0.437 19382 5097 1 13 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.488 0.577 19382 5098 1 13 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.838 0.086 19382 5099 1 13 . 1 1 8 8 GLY N N 8 110.020 110.020 109.091 0.929 19382 5100 1 13 . 1 1 8 8 GLY CA C 8 45.373 45.373 44.997 0.376 19382 5101 1 13 . 1 1 8 8 GLY H H 8 8.879 8.879 8.500 0.379 19382 5102 1 13 . 1 1 9 9 LYS N N 9 121.894 121.894 123.769 -1.875 19382 5103 1 13 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.483 -0.346 19382 5104 1 13 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.171 0.857 19382 5105 1 13 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.467 0.721 19382 5106 1 13 . 1 1 9 9 LYS H H 9 8.011 8.011 7.597 0.414 19382 5107 1 13 . 1 1 10 10 LEU N N 10 127.289 127.289 126.368 0.921 19382 5108 1 13 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.239 -0.259 19382 5109 1 13 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.221 0.272 19382 5110 1 13 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.503 -1.009 19382 5111 1 13 . 1 1 10 10 LEU H H 10 9.536 9.536 9.092 0.444 19382 5112 1 13 . 1 1 11 11 PHE N N 11 123.068 123.068 123.254 -0.186 19382 5113 1 13 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.759 -0.341 19382 5114 1 13 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.940 1.228 19382 5115 1 13 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.230 -1.024 19382 5116 1 13 . 1 1 11 11 PHE H H 11 9.386 9.386 9.327 0.059 19382 5117 1 13 . 1 1 12 12 ILE N N 12 127.476 127.476 127.017 0.459 19382 5118 1 13 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.722 0.091 19382 5119 1 13 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.641 2.151 19382 5120 1 13 . 1 1 12 12 ILE H H 12 7.949 7.949 8.059 -0.110 19382 5121 1 13 . 1 1 13 13 GLY N N 13 110.661 110.661 110.311 0.350 19382 5122 1 13 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.480 0.270 19382 5123 1 13 . 1 1 13 13 GLY H H 13 8.939 8.939 7.609 1.330 19382 5124 1 13 . 1 1 14 14 GLY N N 14 107.213 107.213 111.492 -4.279 19382 5125 1 13 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.789 0.987 19382 5126 1 13 . 1 1 14 14 GLY H H 14 8.126 8.126 8.763 -0.637 19382 5127 1 13 . 1 1 15 15 LEU N N 15 115.288 115.288 119.473 -4.185 19382 5128 1 13 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.127 -0.070 19382 5129 1 13 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.121 -0.482 19382 5130 1 13 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.197 1.099 19382 5131 1 13 . 1 1 15 15 LEU H H 15 7.621 7.621 7.749 -0.128 19382 5132 1 13 . 1 1 16 16 ASN N N 16 120.674 120.674 117.655 3.019 19382 5133 1 13 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.714 -0.141 19382 5134 1 13 . 1 1 16 16 ASN CB C 16 38.631 38.631 39.896 -1.265 19382 5135 1 13 . 1 1 16 16 ASN H H 16 9.597 9.597 8.320 1.277 19382 5136 1 13 . 1 1 17 17 THR N N 17 122.538 122.538 112.012 10.526 19382 5137 1 13 . 1 1 17 17 THR HA H 17 3.900 3.900 4.224 -0.324 19382 5138 1 13 . 1 1 17 17 THR CA C 17 65.542 65.542 64.028 1.514 19382 5139 1 13 . 1 1 17 17 THR CB C 17 68.594 68.594 69.016 -0.422 19382 5140 1 13 . 1 1 17 17 THR H H 17 8.807 8.807 8.563 0.244 19382 5141 1 13 . 1 1 18 18 GLU N N 18 118.149 118.149 117.906 0.243 19382 5142 1 13 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.521 -0.160 19382 5143 1 13 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.447 0.966 19382 5144 1 13 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.636 0.279 19382 5145 1 13 . 1 1 18 18 GLU H H 18 8.757 8.757 8.187 0.570 19382 5146 1 13 . 1 1 19 19 THR N N 19 119.146 119.146 117.802 1.344 19382 5147 1 13 . 1 1 19 19 THR HA H 19 4.088 4.088 4.256 -0.168 19382 5148 1 13 . 1 1 19 19 THR CA C 19 64.959 64.959 63.745 1.214 19382 5149 1 13 . 1 1 19 19 THR CB C 19 68.536 68.536 69.650 -1.114 19382 5150 1 13 . 1 1 19 19 THR H H 19 7.627 7.627 7.514 0.113 19382 5151 1 13 . 1 1 20 20 ASN N N 20 126.361 126.361 122.510 3.851 19382 5152 1 13 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.889 0.027 19382 5153 1 13 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.846 -0.848 19382 5154 1 13 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.355 -1.001 19382 5155 1 13 . 1 1 20 20 ASN H H 20 8.076 8.076 8.368 -0.292 19382 5156 1 13 . 1 1 21 21 GLU N N 21 118.317 118.317 121.115 -2.798 19382 5157 1 13 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.069 -0.348 19382 5158 1 13 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.449 1.371 19382 5159 1 13 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.259 -0.388 19382 5160 1 13 . 1 1 21 21 GLU H H 21 10.233 10.233 8.690 1.543 19382 5161 1 13 . 1 1 22 22 LYS N N 22 118.930 118.930 118.616 0.314 19382 5162 1 13 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.097 0.067 19382 5163 1 13 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.793 0.002 19382 5164 1 13 . 1 1 22 22 LYS CB C 22 31.727 31.727 32.210 -0.483 19382 5165 1 13 . 1 1 22 22 LYS H H 22 7.920 7.920 8.480 -0.560 19382 5166 1 13 . 1 1 23 23 ALA N N 23 123.201 123.201 121.054 2.147 19382 5167 1 13 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.259 0.064 19382 5168 1 13 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.497 0.524 19382 5169 1 13 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.555 0.469 19382 5170 1 13 . 1 1 23 23 ALA H H 23 7.915 7.915 7.428 0.487 19382 5171 1 13 . 1 1 24 24 LEU N N 24 116.213 116.213 118.665 -2.452 19382 5172 1 13 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.279 -0.112 19382 5173 1 13 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.205 0.890 19382 5174 1 13 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.289 0.169 19382 5175 1 13 . 1 1 24 24 LEU H H 24 7.760 7.760 7.324 0.436 19382 5176 1 13 . 1 1 25 25 GLU N N 25 119.637 119.637 118.577 1.060 19382 5177 1 13 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.065 -0.302 19382 5178 1 13 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.941 1.274 19382 5179 1 13 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.615 0.234 19382 5180 1 13 . 1 1 25 25 GLU H H 25 8.545 8.545 8.434 0.111 19382 5181 1 13 . 1 1 26 26 ALA N N 26 121.001 121.001 121.068 -0.067 19382 5182 1 13 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.219 -0.021 19382 5183 1 13 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.349 0.732 19382 5184 1 13 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.845 -0.426 19382 5185 1 13 . 1 1 26 26 ALA H H 26 7.975 7.975 7.521 0.454 19382 5186 1 13 . 1 1 27 27 VAL N N 27 115.732 115.732 115.751 -0.019 19382 5187 1 13 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.969 -0.026 19382 5188 1 13 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.062 1.185 19382 5189 1 13 . 1 1 27 27 VAL CB C 27 32.754 32.754 33.180 -0.426 19382 5190 1 13 . 1 1 27 27 VAL H H 27 7.817 7.817 7.436 0.381 19382 5191 1 13 . 1 1 28 28 PHE N N 28 115.329 115.329 116.902 -1.573 19382 5192 1 13 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.963 -0.321 19382 5193 1 13 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.102 3.599 19382 5194 1 13 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.282 -0.998 19382 5195 1 13 . 1 1 28 28 PHE H H 28 8.607 8.607 7.851 0.756 19382 5196 1 13 . 1 1 29 29 GLY N N 29 108.306 108.306 108.042 0.264 19382 5197 1 13 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.554 0.851 19382 5198 1 13 . 1 1 29 29 GLY H H 29 8.425 8.425 7.704 0.721 19382 5199 1 13 . 1 1 30 30 LYS N N 30 117.374 117.374 118.320 -0.946 19382 5200 1 13 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.048 0.048 19382 5201 1 13 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.914 -0.021 19382 5202 1 13 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.721 0.275 19382 5203 1 13 . 1 1 30 30 LYS H H 30 6.970 6.970 8.030 -1.060 19382 5204 1 13 . 1 1 31 31 TYR N N 31 115.689 115.689 116.932 -1.243 19382 5205 1 13 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.742 -0.447 19382 5206 1 13 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.819 0.994 19382 5207 1 13 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.403 -1.609 19382 5208 1 13 . 1 1 31 31 TYR H H 31 7.741 7.741 7.523 0.218 19382 5209 1 13 . 1 1 32 32 GLY N N 32 104.475 104.475 104.198 0.277 19382 5210 1 13 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.393 -0.797 19382 5211 1 13 . 1 1 32 32 GLY H H 32 7.401 7.401 7.496 -0.095 19382 5212 1 13 . 1 1 33 33 ARG N N 33 116.936 116.936 121.025 -4.089 19382 5213 1 13 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.417 -0.135 19382 5214 1 13 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.882 2.021 19382 5215 1 13 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.117 -0.364 19382 5216 1 13 . 1 1 33 33 ARG H H 33 8.286 8.286 8.523 -0.236 19382 5217 1 13 . 1 1 34 34 ILE N N 34 128.703 128.703 126.566 2.137 19382 5218 1 13 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.949 0.079 19382 5219 1 13 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.591 -1.740 19382 5220 1 13 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.563 1.374 19382 5221 1 13 . 1 1 34 34 ILE H H 34 8.797 8.797 8.451 0.346 19382 5222 1 13 . 1 1 35 35 VAL N N 35 122.207 122.207 123.595 -1.388 19382 5223 1 13 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.272 0.005 19382 5224 1 13 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.679 -0.291 19382 5225 1 13 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.917 0.137 19382 5226 1 13 . 1 1 35 35 VAL H H 35 8.859 8.859 8.893 -0.034 19382 5227 1 13 . 1 1 36 36 GLU N N 36 118.922 118.922 118.397 0.525 19382 5228 1 13 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.535 0.000 19382 5229 1 13 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.897 0.947 19382 5230 1 13 . 1 1 36 36 GLU CB C 36 34.132 34.132 33.389 0.743 19382 5231 1 13 . 1 1 36 36 GLU H H 36 7.228 7.228 7.673 -0.445 19382 5232 1 13 . 1 1 37 37 VAL N N 37 126.068 126.068 123.583 2.485 19382 5233 1 13 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.317 0.103 19382 5234 1 13 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.262 1.148 19382 5235 1 13 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.770 -0.862 19382 5236 1 13 . 1 1 37 37 VAL H H 37 8.607 8.607 8.563 0.044 19382 5237 1 13 . 1 1 38 38 LEU N N 38 129.638 129.638 125.953 3.685 19382 5238 1 13 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.871 -0.079 19382 5239 1 13 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.958 -0.563 19382 5240 1 13 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.616 -1.078 19382 5241 1 13 . 1 1 38 38 LEU H H 38 9.052 9.052 8.917 0.135 19382 5242 1 13 . 1 1 39 39 LEU N N 39 128.599 128.599 123.610 4.989 19382 5243 1 13 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.555 -0.155 19382 5244 1 13 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.553 -0.556 19382 5245 1 13 . 1 1 39 39 LEU CB C 39 44.232 44.232 45.069 -0.837 19382 5246 1 13 . 1 1 39 39 LEU H H 39 9.030 9.030 8.407 0.623 19382 5247 1 13 . 1 1 40 40 MET N N 40 125.937 125.937 125.271 0.666 19382 5248 1 13 . 1 1 40 40 MET HA H 40 4.595 4.595 4.763 -0.168 19382 5249 1 13 . 1 1 40 40 MET CA C 40 54.617 54.617 53.177 1.440 19382 5250 1 13 . 1 1 40 40 MET CB C 40 29.778 29.778 32.407 -2.629 19382 5251 1 13 . 1 1 40 40 MET H H 40 7.848 7.848 8.134 -0.286 19382 5252 1 13 . 1 1 41 41 LYS N N 41 122.049 122.049 120.364 1.685 19382 5253 1 13 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.894 0.017 19382 5254 1 13 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.493 0.214 19382 5255 1 13 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.505 0.837 19382 5256 1 13 . 1 1 41 41 LYS H H 41 8.444 8.444 8.400 0.044 19382 5257 1 13 . 1 1 42 42 ASP N N 42 123.896 123.896 121.718 2.178 19382 5258 1 13 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.487 0.198 19382 5259 1 13 . 1 1 42 42 ASP CB C 42 43.050 43.050 43.036 0.014 19382 5260 1 13 . 1 1 42 42 ASP H H 42 8.864 8.864 8.797 0.067 19382 5261 1 13 . 1 1 43 43 ARG N N 43 126.892 126.892 122.358 4.534 19382 5262 1 13 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.358 -0.203 19382 5263 1 13 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.356 1.433 19382 5264 1 13 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.506 -0.176 19382 5265 1 13 . 1 1 43 43 ARG H H 43 8.983 8.983 8.661 0.322 19382 5266 1 13 . 1 1 44 44 GLU N N 44 117.468 117.468 119.208 -1.740 19382 5267 1 13 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.486 -0.115 19382 5268 1 13 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.112 1.571 19382 5269 1 13 . 1 1 44 44 GLU CB C 44 30.160 30.160 31.515 -1.355 19382 5270 1 13 . 1 1 44 44 GLU H H 44 8.687 8.687 9.092 -0.405 19382 5271 1 13 . 1 1 45 45 THR N N 45 107.088 107.088 110.587 -3.499 19382 5272 1 13 . 1 1 45 45 THR HA H 45 4.447 4.447 4.463 -0.016 19382 5273 1 13 . 1 1 45 45 THR CA C 45 61.838 61.838 61.603 0.235 19382 5274 1 13 . 1 1 45 45 THR CB C 45 71.163 71.163 71.164 -0.001 19382 5275 1 13 . 1 1 45 45 THR H H 45 8.172 8.172 7.916 0.256 19382 5276 1 13 . 1 1 46 46 ASN N N 46 117.525 117.525 118.666 -1.141 19382 5277 1 13 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.438 0.058 19382 5278 1 13 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.974 0.053 19382 5279 1 13 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.959 0.582 19382 5280 1 13 . 1 1 46 46 ASN H H 46 8.389 8.389 7.964 0.425 19382 5281 1 13 . 1 1 47 47 LYS N N 47 117.695 117.695 119.792 -2.097 19382 5282 1 13 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.390 0.067 19382 5283 1 13 . 1 1 47 47 LYS CA C 47 55.547 55.547 55.208 0.339 19382 5284 1 13 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.160 0.908 19382 5285 1 13 . 1 1 47 47 LYS H H 47 7.649 7.649 7.466 0.183 19382 5286 1 13 . 1 1 48 48 SER N N 48 116.260 116.260 119.975 -3.715 19382 5287 1 13 . 1 1 48 48 SER HA H 48 4.384 4.384 4.410 -0.026 19382 5288 1 13 . 1 1 48 48 SER CA C 48 58.462 58.462 59.738 -1.276 19382 5289 1 13 . 1 1 48 48 SER CB C 48 64.621 64.621 63.384 1.237 19382 5290 1 13 . 1 1 48 48 SER H H 48 8.787 8.787 8.849 -0.062 19382 5291 1 13 . 1 1 49 49 ARG N N 49 124.026 124.026 124.997 -0.971 19382 5292 1 13 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.315 0.144 19382 5293 1 13 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.397 0.344 19382 5294 1 13 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.321 1.579 19382 5295 1 13 . 1 1 49 49 ARG H H 49 9.079 9.079 8.772 0.307 19382 5296 1 13 . 1 1 50 50 GLY N N 50 106.539 106.539 106.491 0.048 19382 5297 1 13 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.201 0.647 19382 5298 1 13 . 1 1 50 50 GLY H H 50 9.178 9.178 8.590 0.588 19382 5299 1 13 . 1 1 51 51 PHE N N 51 112.056 112.056 115.460 -3.404 19382 5300 1 13 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.633 -0.337 19382 5301 1 13 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.162 0.951 19382 5302 1 13 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.641 -0.239 19382 5303 1 13 . 1 1 51 51 PHE H H 51 7.004 7.004 7.278 -0.274 19382 5304 1 13 . 1 1 52 52 ALA N N 52 120.974 120.974 120.236 0.738 19382 5305 1 13 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.847 -0.008 19382 5306 1 13 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.054 -1.388 19382 5307 1 13 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.033 3.559 19382 5308 1 13 . 1 1 52 52 ALA H H 52 8.832 8.832 7.658 1.174 19382 5309 1 13 . 1 1 53 53 PHE N N 53 113.680 113.680 114.879 -1.199 19382 5310 1 13 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.692 -0.019 19382 5311 1 13 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.899 -0.759 19382 5312 1 13 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.225 -1.564 19382 5313 1 13 . 1 1 53 53 PHE H H 53 8.710 8.710 7.968 0.742 19382 5314 1 13 . 1 1 54 54 VAL N N 54 124.889 124.889 119.590 5.299 19382 5315 1 13 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.654 0.026 19382 5316 1 13 . 1 1 54 54 VAL CB C 54 35.343 35.343 36.078 -0.735 19382 5317 1 13 . 1 1 54 54 VAL H H 54 8.800 8.800 8.532 0.268 19382 5318 1 13 . 1 1 55 55 THR N N 55 123.052 123.052 125.036 -1.984 19382 5319 1 13 . 1 1 55 55 THR HA H 55 5.159 5.159 5.413 -0.254 19382 5320 1 13 . 1 1 55 55 THR CA C 55 61.912 61.912 61.402 0.510 19382 5321 1 13 . 1 1 55 55 THR CB C 55 69.698 69.698 69.887 -0.189 19382 5322 1 13 . 1 1 55 55 THR H H 55 8.943 8.943 8.976 -0.033 19382 5323 1 13 . 1 1 56 56 PHE N N 56 128.514 128.514 125.804 2.710 19382 5324 1 13 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.820 -0.005 19382 5325 1 13 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.077 1.217 19382 5326 1 13 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.212 0.454 19382 5327 1 13 . 1 1 56 56 PHE H H 56 8.917 8.917 9.416 -0.499 19382 5328 1 13 . 1 1 57 57 GLU N N 57 121.809 121.809 121.291 0.518 19382 5329 1 13 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.214 -0.262 19382 5330 1 13 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.612 0.890 19382 5331 1 13 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.451 0.100 19382 5332 1 13 . 1 1 57 57 GLU H H 57 8.240 8.240 8.817 -0.577 19382 5333 1 13 . 1 1 58 58 SER N N 58 112.478 112.478 112.671 -0.193 19382 5334 1 13 . 1 1 58 58 SER HA H 58 5.333 5.333 4.991 0.342 19382 5335 1 13 . 1 1 58 58 SER CA C 58 53.261 53.261 54.089 -0.828 19382 5336 1 13 . 1 1 58 58 SER CB C 58 64.505 64.505 64.773 -0.268 19382 5337 1 13 . 1 1 58 58 SER H H 58 9.461 9.461 7.663 1.798 19382 5338 1 13 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.468 -0.320 19382 5339 1 13 . 1 1 59 59 PRO CA C 59 65.069 65.069 64.334 0.735 19382 5340 1 13 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.994 0.409 19382 5341 1 13 . 1 1 60 60 ALA N N 60 120.882 120.882 120.606 0.276 19382 5342 1 13 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.402 -0.304 19382 5343 1 13 . 1 1 60 60 ALA CA C 60 55.355 55.355 53.210 2.145 19382 5344 1 13 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.450 -1.037 19382 5345 1 13 . 1 1 60 60 ALA H H 60 7.957 7.957 7.663 0.294 19382 5346 1 13 . 1 1 61 61 ASP N N 61 120.196 120.196 120.509 -0.313 19382 5347 1 13 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.490 -0.186 19382 5348 1 13 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.123 -0.151 19382 5349 1 13 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.536 -0.248 19382 5350 1 13 . 1 1 61 61 ASP H H 61 7.157 7.157 7.711 -0.554 19382 5351 1 13 . 1 1 62 62 ALA N N 62 119.636 119.636 121.349 -1.713 19382 5352 1 13 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.701 0.566 19382 5353 1 13 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.234 0.133 19382 5354 1 13 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.074 0.930 19382 5355 1 13 . 1 1 62 62 ALA H H 62 6.901 6.901 7.388 -0.487 19382 5356 1 13 . 1 1 63 63 LYS N N 63 117.322 117.322 118.223 -0.901 19382 5357 1 13 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.862 0.113 19382 5358 1 13 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.665 -0.027 19382 5359 1 13 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.165 -0.119 19382 5360 1 13 . 1 1 63 63 LYS H H 63 7.605 7.605 7.631 -0.026 19382 5361 1 13 . 1 1 64 64 ASP N N 64 120.944 120.944 118.127 2.817 19382 5362 1 13 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.374 -0.010 19382 5363 1 13 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.567 0.928 19382 5364 1 13 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.942 -0.438 19382 5365 1 13 . 1 1 64 64 ASP H H 64 7.488 7.488 7.689 -0.201 19382 5366 1 13 . 1 1 65 65 ALA N N 65 122.197 122.197 120.549 1.648 19382 5367 1 13 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.840 -0.487 19382 5368 1 13 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.255 0.228 19382 5369 1 13 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.052 0.800 19382 5370 1 13 . 1 1 65 65 ALA H H 65 7.806 7.806 7.180 0.626 19382 5371 1 13 . 1 1 66 66 ALA N N 66 118.722 118.722 118.792 -0.070 19382 5372 1 13 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.095 -0.236 19382 5373 1 13 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.689 1.692 19382 5374 1 13 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.498 -0.684 19382 5375 1 13 . 1 1 66 66 ALA H H 66 8.247 8.247 7.790 0.457 19382 5376 1 13 . 1 1 67 67 ARG N N 67 116.529 116.529 115.341 1.188 19382 5377 1 13 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.344 -0.238 19382 5378 1 13 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.813 2.121 19382 5379 1 13 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.666 -0.514 19382 5380 1 13 . 1 1 67 67 ARG H H 67 7.803 7.803 7.391 0.412 19382 5381 1 13 . 1 1 68 68 ASP N N 68 116.394 116.394 118.158 -1.764 19382 5382 1 13 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.713 0.019 19382 5383 1 13 . 1 1 68 68 ASP CB C 68 42.683 42.683 42.892 -0.208 19382 5384 1 13 . 1 1 68 68 ASP H H 68 7.800 7.800 7.892 -0.092 19382 5385 1 13 . 1 1 69 69 MET N N 69 111.832 111.832 117.536 -5.704 19382 5386 1 13 . 1 1 69 69 MET HA H 69 4.902 4.902 4.445 0.457 19382 5387 1 13 . 1 1 69 69 MET CA C 69 53.703 53.703 54.670 -0.967 19382 5388 1 13 . 1 1 69 69 MET CB C 69 32.130 32.130 32.533 -0.403 19382 5389 1 13 . 1 1 69 69 MET H H 69 8.203 8.203 8.054 0.149 19382 5390 1 13 . 1 1 70 70 ASN N N 70 116.507 116.507 117.856 -1.349 19382 5391 1 13 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.515 -0.056 19382 5392 1 13 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.773 2.200 19382 5393 1 13 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.533 0.239 19382 5394 1 13 . 1 1 70 70 ASN H H 70 7.724 7.724 7.655 0.069 19382 5395 1 13 . 1 1 71 71 GLY N N 71 117.038 117.038 113.886 3.152 19382 5396 1 13 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.562 0.383 19382 5397 1 13 . 1 1 71 71 GLY H H 71 9.065 9.065 8.267 0.798 19382 5398 1 13 . 1 1 72 72 LYS N N 72 120.950 120.950 120.571 0.379 19382 5399 1 13 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.569 -0.134 19382 5400 1 13 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.787 0.637 19382 5401 1 13 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.669 -0.613 19382 5402 1 13 . 1 1 72 72 LYS H H 72 7.949 7.949 7.607 0.342 19382 5403 1 13 . 1 1 73 73 SER N N 73 112.847 112.847 112.956 -0.109 19382 5404 1 13 . 1 1 73 73 SER HA H 73 5.076 5.076 5.014 0.062 19382 5405 1 13 . 1 1 73 73 SER CA C 73 57.821 57.821 56.583 1.238 19382 5406 1 13 . 1 1 73 73 SER CB C 73 64.481 64.481 64.726 -0.245 19382 5407 1 13 . 1 1 73 73 SER H H 73 8.078 8.078 8.374 -0.296 19382 5408 1 13 . 1 1 74 74 LEU N N 74 127.515 127.515 124.461 3.054 19382 5409 1 13 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.627 -0.036 19382 5410 1 13 . 1 1 74 74 LEU CA C 74 54.810 54.810 56.048 -1.238 19382 5411 1 13 . 1 1 74 74 LEU CB C 74 44.722 44.722 43.092 1.630 19382 5412 1 13 . 1 1 74 74 LEU H H 74 9.069 9.069 8.474 0.595 19382 5413 1 13 . 1 1 75 75 ASP N N 75 128.803 128.803 116.052 12.751 19382 5414 1 13 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.725 -0.384 19382 5415 1 13 . 1 1 75 75 ASP CA C 75 55.686 55.686 53.718 1.968 19382 5416 1 13 . 1 1 75 75 ASP CB C 75 39.429 39.429 42.353 -2.924 19382 5417 1 13 . 1 1 75 75 ASP H H 75 9.565 9.565 8.362 1.203 19382 5418 1 13 . 1 1 76 76 GLY N N 76 101.959 101.959 106.784 -4.825 19382 5419 1 13 . 1 1 76 76 GLY CA C 76 45.659 45.659 45.323 0.336 19382 5420 1 13 . 1 1 76 76 GLY H H 76 8.447 8.447 7.616 0.831 19382 5421 1 13 . 1 1 77 77 LYS N N 77 120.026 120.026 120.459 -0.433 19382 5422 1 13 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.681 0.031 19382 5423 1 13 . 1 1 77 77 LYS CB C 77 34.902 34.902 33.995 0.908 19382 5424 1 13 . 1 1 77 77 LYS H H 77 7.417 7.417 7.929 -0.512 19382 5425 1 13 . 1 1 78 78 ALA N N 78 125.190 125.190 127.383 -2.193 19382 5426 1 13 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.922 -0.385 19382 5427 1 13 . 1 1 78 78 ALA CA C 78 51.602 51.602 51.657 -0.055 19382 5428 1 13 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.576 -1.348 19382 5429 1 13 . 1 1 78 78 ALA H H 78 8.304 8.304 8.676 -0.372 19382 5430 1 13 . 1 1 79 79 ILE N N 79 119.566 119.566 116.551 3.015 19382 5431 1 13 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.260 -0.417 19382 5432 1 13 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.663 2.114 19382 5433 1 13 . 1 1 79 79 ILE CB C 79 40.554 40.554 41.870 -1.316 19382 5434 1 13 . 1 1 79 79 ILE H H 79 8.293 8.293 8.778 -0.485 19382 5435 1 13 . 1 1 80 80 LYS N N 80 123.948 123.948 121.294 2.654 19382 5436 1 13 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.057 -0.054 19382 5437 1 13 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.342 -0.014 19382 5438 1 13 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.285 -1.315 19382 5439 1 13 . 1 1 80 80 LYS H H 80 8.552 8.552 8.814 -0.262 19382 5440 1 13 . 1 1 81 81 VAL N N 81 123.950 123.950 124.835 -0.885 19382 5441 1 13 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.301 -0.001 19382 5442 1 13 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.068 0.955 19382 5443 1 13 . 1 1 81 81 VAL CB C 81 34.701 34.701 33.328 1.373 19382 5444 1 13 . 1 1 81 81 VAL H H 81 8.753 8.753 8.703 0.050 19382 5445 1 13 . 1 1 82 82 GLU N N 82 123.264 123.264 124.100 -0.836 19382 5446 1 13 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.651 0.102 19382 5447 1 13 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.782 1.191 19382 5448 1 13 . 1 1 82 82 GLU H H 82 9.060 9.060 8.346 0.714 19382 5449 1 13 . 1 1 83 83 GLN N N 83 121.972 121.972 122.968 -0.996 19382 5450 1 13 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.531 -0.193 19382 5451 1 13 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.476 0.888 19382 5452 1 13 . 1 1 83 83 GLN CB C 83 28.986 28.986 28.921 0.065 19382 5453 1 13 . 1 1 83 83 GLN H H 83 8.790 8.790 8.477 0.313 19382 5454 1 13 . 1 1 84 84 ALA N N 84 129.351 129.351 130.430 -1.079 19382 5455 1 13 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.669 0.607 19382 5456 1 13 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.043 0.819 19382 5457 1 13 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.117 -0.356 19382 5458 1 13 . 1 1 84 84 ALA H H 84 9.051 9.051 8.650 0.401 19382 5459 1 13 . 1 1 85 85 THR HA H 85 4.767 4.767 4.526 0.241 19382 5460 1 13 . 1 1 85 85 THR CB C 85 70.557 70.557 71.366 -0.809 19382 5461 1 13 . 1 1 86 86 LYS N N 86 120.733 120.733 122.615 -1.882 19382 5462 1 13 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.279 0.181 19382 5463 1 13 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.513 0.800 19382 5464 1 13 . 1 1 86 86 LYS H H 86 8.517 8.517 8.044 0.473 19382 5465 1 13 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.426 0.007 19382 5466 1 13 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.590 0.506 19382 5467 1 13 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.199 -0.081 19382 5468 1 13 . 1 1 88 88 SER N N 88 117.293 117.293 114.705 2.588 19382 5469 1 13 . 1 1 88 88 SER HA H 88 4.262 4.262 4.340 -0.078 19382 5470 1 13 . 1 1 88 88 SER CA C 88 59.204 59.204 59.061 0.143 19382 5471 1 13 . 1 1 88 88 SER CB C 88 63.891 63.891 63.154 0.737 19382 5472 1 13 . 1 1 88 88 SER H H 88 8.508 8.508 8.467 0.041 19382 5473 1 13 . 1 1 89 89 PHE N N 89 120.710 120.710 117.485 3.225 19382 5474 1 13 . 1 1 89 89 PHE HA H 89 4.643 4.643 5.014 -0.371 19382 5475 1 13 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.891 0.578 19382 5476 1 13 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.737 0.503 19382 5477 1 13 . 1 1 89 89 PHE H H 89 7.930 7.930 7.781 0.149 19382 5478 1 13 . 1 1 90 90 GLU N N 90 121.794 121.794 119.825 1.969 19382 5479 1 13 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.484 -0.197 19382 5480 1 13 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.566 1.135 19382 5481 1 13 . 1 1 90 90 GLU CB C 90 30.383 30.383 32.635 -2.252 19382 5482 1 13 . 1 1 90 90 GLU H H 90 8.099 8.099 7.449 0.650 19382 5483 1 13 . 1 1 91 91 SER N N 91 116.607 116.607 116.432 0.175 19382 5484 1 13 . 1 1 91 91 SER HA H 91 4.419 4.419 4.631 -0.212 19382 5485 1 13 . 1 1 91 91 SER CA C 91 59.090 59.090 57.174 1.916 19382 5486 1 13 . 1 1 91 91 SER CB C 91 64.011 64.011 64.861 -0.850 19382 5487 1 13 . 1 1 91 91 SER H H 91 8.194 8.194 8.328 -0.134 19382 5488 1 13 . 1 1 92 92 GLY N N 92 110.531 110.531 112.130 -1.599 19382 5489 1 13 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.385 0.108 19382 5490 1 13 . 1 1 92 92 GLY H H 92 8.395 8.395 9.140 -0.745 19382 5491 1 13 . 1 1 93 93 ARG N N 93 120.515 120.515 117.712 2.803 19382 5492 1 13 . 1 1 93 93 ARG HA H 93 4.398 4.398 3.994 0.404 19382 5493 1 13 . 1 1 93 93 ARG CA C 93 56.203 56.203 57.129 -0.926 19382 5494 1 13 . 1 1 93 93 ARG CB C 93 31.056 31.056 29.883 1.173 19382 5495 1 13 . 1 1 93 93 ARG H H 93 8.046 8.046 8.452 -0.406 19382 5496 1 13 . 1 1 94 94 ARG N N 94 123.050 123.050 120.077 2.973 19382 5497 1 13 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.496 -0.088 19382 5498 1 13 . 1 1 94 94 ARG CB C 94 31.051 31.051 32.922 -1.871 19382 5499 1 13 . 1 1 94 94 ARG H H 94 8.403 8.403 8.477 -0.074 19382 5500 1 14 . 1 1 2 2 VAL N N 2 120.711 120.711 123.563 -2.852 19382 5501 1 14 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.380 -0.140 19382 5502 1 14 . 1 1 2 2 VAL CA C 2 61.832 61.832 61.702 0.131 19382 5503 1 14 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.584 0.737 19382 5504 1 14 . 1 1 2 2 VAL H H 2 8.063 8.063 8.467 -0.404 19382 5505 1 14 . 1 1 3 3 GLU N N 3 124.381 124.381 122.162 2.219 19382 5506 1 14 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.432 -0.000 19382 5507 1 14 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.622 0.038 19382 5508 1 14 . 1 1 3 3 GLU CB C 3 31.558 31.558 30.955 0.603 19382 5509 1 14 . 1 1 3 3 GLU H H 3 8.589 8.589 7.575 1.014 19382 5510 1 14 . 1 1 4 4 ALA N N 4 124.910 124.910 127.798 -2.888 19382 5511 1 14 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.859 -0.575 19382 5512 1 14 . 1 1 4 4 ALA CA C 4 53.537 53.537 50.535 3.002 19382 5513 1 14 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.377 -0.842 19382 5514 1 14 . 1 1 4 4 ALA H H 4 8.442 8.442 8.286 0.156 19382 5515 1 14 . 1 1 5 5 ASP N N 5 119.622 119.622 125.841 -6.219 19382 5516 1 14 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.381 0.262 19382 5517 1 14 . 1 1 5 5 ASP CB C 5 42.674 42.674 41.458 1.216 19382 5518 1 14 . 1 1 5 5 ASP H H 5 8.363 8.363 8.810 -0.447 19382 5519 1 14 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.392 0.259 19382 5520 1 14 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.740 0.325 19382 5521 1 14 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.690 0.234 19382 5522 1 14 . 1 1 8 8 GLY N N 8 110.020 110.020 109.882 0.138 19382 5523 1 14 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.107 0.266 19382 5524 1 14 . 1 1 8 8 GLY H H 8 8.879 8.879 8.646 0.233 19382 5525 1 14 . 1 1 9 9 LYS N N 9 121.894 121.894 124.038 -2.144 19382 5526 1 14 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.277 -0.140 19382 5527 1 14 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.934 0.094 19382 5528 1 14 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.001 1.187 19382 5529 1 14 . 1 1 9 9 LYS H H 9 8.011 8.011 7.397 0.614 19382 5530 1 14 . 1 1 10 10 LEU N N 10 127.289 127.289 126.330 0.959 19382 5531 1 14 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.256 -0.276 19382 5532 1 14 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.102 0.392 19382 5533 1 14 . 1 1 10 10 LEU CB C 10 44.494 44.494 46.000 -1.506 19382 5534 1 14 . 1 1 10 10 LEU H H 10 9.536 9.536 9.043 0.493 19382 5535 1 14 . 1 1 11 11 PHE N N 11 123.068 123.068 123.068 0.000 19382 5536 1 14 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.798 -0.380 19382 5537 1 14 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.807 1.361 19382 5538 1 14 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.212 -1.006 19382 5539 1 14 . 1 1 11 11 PHE H H 11 9.386 9.386 9.302 0.084 19382 5540 1 14 . 1 1 12 12 ILE N N 12 127.476 127.476 126.887 0.589 19382 5541 1 14 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.666 0.147 19382 5542 1 14 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.764 2.027 19382 5543 1 14 . 1 1 12 12 ILE H H 12 7.949 7.949 8.115 -0.166 19382 5544 1 14 . 1 1 13 13 GLY N N 13 110.661 110.661 110.442 0.219 19382 5545 1 14 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.366 0.384 19382 5546 1 14 . 1 1 13 13 GLY H H 13 8.939 8.939 7.537 1.402 19382 5547 1 14 . 1 1 14 14 GLY N N 14 107.213 107.213 111.361 -4.148 19382 5548 1 14 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.810 0.966 19382 5549 1 14 . 1 1 14 14 GLY H H 14 8.126 8.126 8.655 -0.529 19382 5550 1 14 . 1 1 15 15 LEU N N 15 115.288 115.288 119.524 -4.236 19382 5551 1 14 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.111 -0.054 19382 5552 1 14 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.117 -0.478 19382 5553 1 14 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.206 1.089 19382 5554 1 14 . 1 1 15 15 LEU H H 15 7.621 7.621 7.717 -0.096 19382 5555 1 14 . 1 1 16 16 ASN N N 16 120.674 120.674 118.293 2.381 19382 5556 1 14 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.659 -0.086 19382 5557 1 14 . 1 1 16 16 ASN CB C 16 38.631 38.631 40.029 -1.398 19382 5558 1 14 . 1 1 16 16 ASN H H 16 9.597 9.597 8.221 1.376 19382 5559 1 14 . 1 1 17 17 THR N N 17 122.538 122.538 112.737 9.801 19382 5560 1 14 . 1 1 17 17 THR HA H 17 3.900 3.900 4.277 -0.377 19382 5561 1 14 . 1 1 17 17 THR CA C 17 65.542 65.542 63.947 1.595 19382 5562 1 14 . 1 1 17 17 THR CB C 17 68.594 68.594 68.796 -0.202 19382 5563 1 14 . 1 1 17 17 THR H H 17 8.807 8.807 8.666 0.141 19382 5564 1 14 . 1 1 18 18 GLU N N 18 118.149 118.149 118.512 -0.363 19382 5565 1 14 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.566 -0.205 19382 5566 1 14 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.713 0.700 19382 5567 1 14 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.376 0.538 19382 5568 1 14 . 1 1 18 18 GLU H H 18 8.757 8.757 8.444 0.313 19382 5569 1 14 . 1 1 19 19 THR N N 19 119.146 119.146 117.667 1.479 19382 5570 1 14 . 1 1 19 19 THR HA H 19 4.088 4.088 4.276 -0.188 19382 5571 1 14 . 1 1 19 19 THR CA C 19 64.959 64.959 64.027 0.932 19382 5572 1 14 . 1 1 19 19 THR CB C 19 68.536 68.536 69.820 -1.284 19382 5573 1 14 . 1 1 19 19 THR H H 19 7.627 7.627 7.362 0.265 19382 5574 1 14 . 1 1 20 20 ASN N N 20 126.361 126.361 122.107 4.254 19382 5575 1 14 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.944 -0.028 19382 5576 1 14 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.821 -0.823 19382 5577 1 14 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.393 -1.039 19382 5578 1 14 . 1 1 20 20 ASN H H 20 8.076 8.076 8.339 -0.263 19382 5579 1 14 . 1 1 21 21 GLU N N 21 118.317 118.317 121.390 -3.073 19382 5580 1 14 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.015 -0.294 19382 5581 1 14 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.200 1.620 19382 5582 1 14 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.552 -0.681 19382 5583 1 14 . 1 1 21 21 GLU H H 21 10.233 10.233 8.731 1.502 19382 5584 1 14 . 1 1 22 22 LYS N N 22 118.930 118.930 119.307 -0.377 19382 5585 1 14 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.109 0.055 19382 5586 1 14 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.702 0.093 19382 5587 1 14 . 1 1 22 22 LYS CB C 22 31.727 31.727 31.961 -0.234 19382 5588 1 14 . 1 1 22 22 LYS H H 22 7.920 7.920 8.378 -0.458 19382 5589 1 14 . 1 1 23 23 ALA N N 23 123.201 123.201 120.912 2.289 19382 5590 1 14 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.279 0.044 19382 5591 1 14 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.483 0.538 19382 5592 1 14 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.498 0.526 19382 5593 1 14 . 1 1 23 23 ALA H H 23 7.915 7.915 7.506 0.409 19382 5594 1 14 . 1 1 24 24 LEU N N 24 116.213 116.213 118.154 -1.941 19382 5595 1 14 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.333 -0.166 19382 5596 1 14 . 1 1 24 24 LEU CA C 24 58.095 58.095 56.934 1.161 19382 5597 1 14 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.382 0.076 19382 5598 1 14 . 1 1 24 24 LEU H H 24 7.760 7.760 7.360 0.400 19382 5599 1 14 . 1 1 25 25 GLU N N 25 119.637 119.637 118.792 0.845 19382 5600 1 14 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.076 -0.313 19382 5601 1 14 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.977 1.238 19382 5602 1 14 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.701 0.148 19382 5603 1 14 . 1 1 25 25 GLU H H 25 8.545 8.545 8.667 -0.122 19382 5604 1 14 . 1 1 26 26 ALA N N 26 121.001 121.001 121.040 -0.039 19382 5605 1 14 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.215 -0.017 19382 5606 1 14 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.367 0.714 19382 5607 1 14 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.836 -0.417 19382 5608 1 14 . 1 1 26 26 ALA H H 26 7.975 7.975 7.531 0.444 19382 5609 1 14 . 1 1 27 27 VAL N N 27 115.732 115.732 116.715 -0.983 19382 5610 1 14 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.951 -0.008 19382 5611 1 14 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.460 0.787 19382 5612 1 14 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.952 -0.198 19382 5613 1 14 . 1 1 27 27 VAL H H 27 7.817 7.817 7.580 0.237 19382 5614 1 14 . 1 1 28 28 PHE N N 28 115.329 115.329 118.339 -3.010 19382 5615 1 14 . 1 1 28 28 PHE HA H 28 4.642 4.642 5.032 -0.390 19382 5616 1 14 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.723 2.979 19382 5617 1 14 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.215 -0.931 19382 5618 1 14 . 1 1 28 28 PHE H H 28 8.607 8.607 7.776 0.831 19382 5619 1 14 . 1 1 29 29 GLY N N 29 108.306 108.306 107.065 1.241 19382 5620 1 14 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.669 0.736 19382 5621 1 14 . 1 1 29 29 GLY H H 29 8.425 8.425 7.835 0.590 19382 5622 1 14 . 1 1 30 30 LYS N N 30 117.374 117.374 119.084 -1.710 19382 5623 1 14 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.060 0.036 19382 5624 1 14 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.583 0.310 19382 5625 1 14 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.900 0.096 19382 5626 1 14 . 1 1 30 30 LYS H H 30 6.970 6.970 7.530 -0.560 19382 5627 1 14 . 1 1 31 31 TYR N N 31 115.689 115.689 116.936 -1.247 19382 5628 1 14 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.780 -0.485 19382 5629 1 14 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.679 1.134 19382 5630 1 14 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.805 -2.012 19382 5631 1 14 . 1 1 31 31 TYR H H 31 7.741 7.741 7.609 0.132 19382 5632 1 14 . 1 1 32 32 GLY N N 32 104.475 104.475 104.240 0.235 19382 5633 1 14 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.506 -0.910 19382 5634 1 14 . 1 1 32 32 GLY H H 32 7.401 7.401 7.570 -0.169 19382 5635 1 14 . 1 1 33 33 ARG N N 33 116.936 116.936 120.391 -3.455 19382 5636 1 14 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.435 -0.153 19382 5637 1 14 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.970 1.933 19382 5638 1 14 . 1 1 33 33 ARG CB C 33 30.754 30.754 30.730 0.024 19382 5639 1 14 . 1 1 33 33 ARG H H 33 8.286 8.286 8.474 -0.188 19382 5640 1 14 . 1 1 34 34 ILE N N 34 128.703 128.703 125.399 3.304 19382 5641 1 14 . 1 1 34 34 ILE HA H 34 4.028 4.028 4.039 -0.011 19382 5642 1 14 . 1 1 34 34 ILE CA C 34 60.851 60.851 61.967 -1.116 19382 5643 1 14 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.977 0.960 19382 5644 1 14 . 1 1 34 34 ILE H H 34 8.797 8.797 8.495 0.302 19382 5645 1 14 . 1 1 35 35 VAL N N 35 122.207 122.207 122.575 -0.368 19382 5646 1 14 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.308 -0.031 19382 5647 1 14 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.590 -0.202 19382 5648 1 14 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.948 0.106 19382 5649 1 14 . 1 1 35 35 VAL H H 35 8.859 8.859 8.908 -0.049 19382 5650 1 14 . 1 1 36 36 GLU N N 36 118.922 118.922 119.244 -0.322 19382 5651 1 14 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.530 0.005 19382 5652 1 14 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.972 0.872 19382 5653 1 14 . 1 1 36 36 GLU CB C 36 34.132 34.132 32.979 1.153 19382 5654 1 14 . 1 1 36 36 GLU H H 36 7.228 7.228 7.647 -0.419 19382 5655 1 14 . 1 1 37 37 VAL N N 37 126.068 126.068 122.812 3.256 19382 5656 1 14 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.369 0.051 19382 5657 1 14 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.380 1.030 19382 5658 1 14 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.981 -1.073 19382 5659 1 14 . 1 1 37 37 VAL H H 37 8.607 8.607 8.538 0.069 19382 5660 1 14 . 1 1 38 38 LEU N N 38 129.638 129.638 125.404 4.234 19382 5661 1 14 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.831 -0.039 19382 5662 1 14 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.815 -0.420 19382 5663 1 14 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.635 -1.097 19382 5664 1 14 . 1 1 38 38 LEU H H 38 9.052 9.052 8.956 0.096 19382 5665 1 14 . 1 1 39 39 LEU N N 39 128.599 128.599 123.148 5.451 19382 5666 1 14 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.504 -0.104 19382 5667 1 14 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.425 -0.428 19382 5668 1 14 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.852 -0.620 19382 5669 1 14 . 1 1 39 39 LEU H H 39 9.030 9.030 8.336 0.694 19382 5670 1 14 . 1 1 40 40 MET N N 40 125.937 125.937 125.277 0.660 19382 5671 1 14 . 1 1 40 40 MET HA H 40 4.595 4.595 4.736 -0.141 19382 5672 1 14 . 1 1 40 40 MET CA C 40 54.617 54.617 53.286 1.331 19382 5673 1 14 . 1 1 40 40 MET CB C 40 29.778 29.778 32.377 -2.599 19382 5674 1 14 . 1 1 40 40 MET H H 40 7.848 7.848 8.162 -0.314 19382 5675 1 14 . 1 1 41 41 LYS N N 41 122.049 122.049 119.613 2.436 19382 5676 1 14 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.845 0.066 19382 5677 1 14 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.492 0.216 19382 5678 1 14 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.744 0.598 19382 5679 1 14 . 1 1 41 41 LYS H H 41 8.444 8.444 8.191 0.253 19382 5680 1 14 . 1 1 42 42 ASP N N 42 123.896 123.896 121.074 2.822 19382 5681 1 14 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.530 0.155 19382 5682 1 14 . 1 1 42 42 ASP CB C 42 43.050 43.050 42.605 0.445 19382 5683 1 14 . 1 1 42 42 ASP H H 42 8.864 8.864 8.787 0.077 19382 5684 1 14 . 1 1 43 43 ARG N N 43 126.892 126.892 122.107 4.785 19382 5685 1 14 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.386 -0.231 19382 5686 1 14 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.345 1.445 19382 5687 1 14 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.750 -0.420 19382 5688 1 14 . 1 1 43 43 ARG H H 43 8.983 8.983 8.662 0.321 19382 5689 1 14 . 1 1 44 44 GLU N N 44 117.468 117.468 118.118 -0.650 19382 5690 1 14 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.422 -0.051 19382 5691 1 14 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.306 1.377 19382 5692 1 14 . 1 1 44 44 GLU CB C 44 30.160 30.160 31.286 -1.126 19382 5693 1 14 . 1 1 44 44 GLU H H 44 8.687 8.687 9.034 -0.347 19382 5694 1 14 . 1 1 45 45 THR N N 45 107.088 107.088 109.768 -2.680 19382 5695 1 14 . 1 1 45 45 THR HA H 45 4.447 4.447 4.462 -0.015 19382 5696 1 14 . 1 1 45 45 THR CA C 45 61.838 61.838 61.524 0.314 19382 5697 1 14 . 1 1 45 45 THR CB C 45 71.163 71.163 70.468 0.695 19382 5698 1 14 . 1 1 45 45 THR H H 45 8.172 8.172 7.786 0.386 19382 5699 1 14 . 1 1 46 46 ASN N N 46 117.525 117.525 116.030 1.495 19382 5700 1 14 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.499 -0.003 19382 5701 1 14 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.939 0.088 19382 5702 1 14 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.053 1.488 19382 5703 1 14 . 1 1 46 46 ASN H H 46 8.389 8.389 8.499 -0.110 19382 5704 1 14 . 1 1 47 47 LYS N N 47 117.695 117.695 119.109 -1.414 19382 5705 1 14 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.416 0.041 19382 5706 1 14 . 1 1 47 47 LYS CA C 47 55.547 55.547 54.913 0.634 19382 5707 1 14 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.329 0.739 19382 5708 1 14 . 1 1 47 47 LYS H H 47 7.649 7.649 7.484 0.165 19382 5709 1 14 . 1 1 48 48 SER N N 48 116.260 116.260 119.690 -3.430 19382 5710 1 14 . 1 1 48 48 SER HA H 48 4.384 4.384 4.515 -0.131 19382 5711 1 14 . 1 1 48 48 SER CA C 48 58.462 58.462 59.561 -1.099 19382 5712 1 14 . 1 1 48 48 SER CB C 48 64.621 64.621 63.485 1.136 19382 5713 1 14 . 1 1 48 48 SER H H 48 8.787 8.787 8.454 0.333 19382 5714 1 14 . 1 1 49 49 ARG N N 49 124.026 124.026 125.046 -1.020 19382 5715 1 14 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.336 0.123 19382 5716 1 14 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.434 0.307 19382 5717 1 14 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.110 1.790 19382 5718 1 14 . 1 1 49 49 ARG H H 49 9.079 9.079 8.774 0.305 19382 5719 1 14 . 1 1 50 50 GLY N N 50 106.539 106.539 106.811 -0.272 19382 5720 1 14 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.333 0.515 19382 5721 1 14 . 1 1 50 50 GLY H H 50 9.178 9.178 8.634 0.544 19382 5722 1 14 . 1 1 51 51 PHE N N 51 112.056 112.056 115.296 -3.240 19382 5723 1 14 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.650 -0.354 19382 5724 1 14 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.153 0.960 19382 5725 1 14 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.751 -0.349 19382 5726 1 14 . 1 1 51 51 PHE H H 51 7.004 7.004 7.260 -0.256 19382 5727 1 14 . 1 1 52 52 ALA N N 52 120.974 120.974 119.631 1.343 19382 5728 1 14 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.599 0.240 19382 5729 1 14 . 1 1 52 52 ALA CA C 52 49.666 49.666 50.965 -1.299 19382 5730 1 14 . 1 1 52 52 ALA CB C 52 25.592 25.592 21.925 3.667 19382 5731 1 14 . 1 1 52 52 ALA H H 52 8.832 8.832 7.699 1.133 19382 5732 1 14 . 1 1 53 53 PHE N N 53 113.680 113.680 114.991 -1.311 19382 5733 1 14 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.737 -0.064 19382 5734 1 14 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.809 -0.669 19382 5735 1 14 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.231 -1.570 19382 5736 1 14 . 1 1 53 53 PHE H H 53 8.710 8.710 7.976 0.734 19382 5737 1 14 . 1 1 54 54 VAL N N 54 124.889 124.889 119.731 5.158 19382 5738 1 14 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.619 0.061 19382 5739 1 14 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.992 -0.649 19382 5740 1 14 . 1 1 54 54 VAL H H 54 8.800 8.800 8.557 0.243 19382 5741 1 14 . 1 1 55 55 THR N N 55 123.052 123.052 125.586 -2.534 19382 5742 1 14 . 1 1 55 55 THR HA H 55 5.159 5.159 5.179 -0.020 19382 5743 1 14 . 1 1 55 55 THR CA C 55 61.912 61.912 61.523 0.389 19382 5744 1 14 . 1 1 55 55 THR CB C 55 69.698 69.698 69.619 0.079 19382 5745 1 14 . 1 1 55 55 THR H H 55 8.943 8.943 8.980 -0.037 19382 5746 1 14 . 1 1 56 56 PHE N N 56 128.514 128.514 125.701 2.813 19382 5747 1 14 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.733 0.082 19382 5748 1 14 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.213 1.081 19382 5749 1 14 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.370 0.296 19382 5750 1 14 . 1 1 56 56 PHE H H 56 8.917 8.917 9.330 -0.413 19382 5751 1 14 . 1 1 57 57 GLU N N 57 121.809 121.809 121.398 0.411 19382 5752 1 14 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.251 -0.299 19382 5753 1 14 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.062 1.440 19382 5754 1 14 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.584 -0.033 19382 5755 1 14 . 1 1 57 57 GLU H H 57 8.240 8.240 8.454 -0.214 19382 5756 1 14 . 1 1 58 58 SER N N 58 112.478 112.478 112.593 -0.115 19382 5757 1 14 . 1 1 58 58 SER HA H 58 5.333 5.333 4.972 0.361 19382 5758 1 14 . 1 1 58 58 SER CA C 58 53.261 53.261 54.303 -1.042 19382 5759 1 14 . 1 1 58 58 SER CB C 58 64.505 64.505 64.555 -0.050 19382 5760 1 14 . 1 1 58 58 SER H H 58 9.461 9.461 7.791 1.670 19382 5761 1 14 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.581 -0.433 19382 5762 1 14 . 1 1 59 59 PRO CA C 59 65.069 65.069 63.706 1.363 19382 5763 1 14 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.794 0.609 19382 5764 1 14 . 1 1 60 60 ALA N N 60 120.882 120.882 121.118 -0.236 19382 5765 1 14 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.459 -0.361 19382 5766 1 14 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.870 2.485 19382 5767 1 14 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.772 -1.359 19382 5768 1 14 . 1 1 60 60 ALA H H 60 7.957 7.957 7.541 0.416 19382 5769 1 14 . 1 1 61 61 ASP N N 61 120.196 120.196 120.687 -0.491 19382 5770 1 14 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.488 -0.184 19382 5771 1 14 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.085 -0.113 19382 5772 1 14 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.554 -0.267 19382 5773 1 14 . 1 1 61 61 ASP H H 61 7.157 7.157 7.716 -0.559 19382 5774 1 14 . 1 1 62 62 ALA N N 62 119.636 119.636 121.198 -1.562 19382 5775 1 14 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.645 0.622 19382 5776 1 14 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.482 -0.115 19382 5777 1 14 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.174 0.830 19382 5778 1 14 . 1 1 62 62 ALA H H 62 6.901 6.901 7.303 -0.402 19382 5779 1 14 . 1 1 63 63 LYS N N 63 117.322 117.322 118.519 -1.197 19382 5780 1 14 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.907 0.068 19382 5781 1 14 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.361 0.277 19382 5782 1 14 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.036 0.010 19382 5783 1 14 . 1 1 63 63 LYS H H 63 7.605 7.605 7.785 -0.180 19382 5784 1 14 . 1 1 64 64 ASP N N 64 120.944 120.944 119.270 1.674 19382 5785 1 14 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.401 -0.037 19382 5786 1 14 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.389 1.106 19382 5787 1 14 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.888 -0.384 19382 5788 1 14 . 1 1 64 64 ASP H H 64 7.488 7.488 7.823 -0.335 19382 5789 1 14 . 1 1 65 65 ALA N N 65 122.197 122.197 120.492 1.705 19382 5790 1 14 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.697 -0.344 19382 5791 1 14 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.182 0.301 19382 5792 1 14 . 1 1 65 65 ALA CB C 65 19.852 19.852 18.958 0.894 19382 5793 1 14 . 1 1 65 65 ALA H H 65 7.806 7.806 7.124 0.682 19382 5794 1 14 . 1 1 66 66 ALA N N 66 118.722 118.722 119.001 -0.279 19382 5795 1 14 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.079 -0.220 19382 5796 1 14 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.711 1.671 19382 5797 1 14 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.512 -0.699 19382 5798 1 14 . 1 1 66 66 ALA H H 66 8.247 8.247 7.764 0.483 19382 5799 1 14 . 1 1 67 67 ARG N N 67 116.529 116.529 116.080 0.449 19382 5800 1 14 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.325 -0.219 19382 5801 1 14 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.840 2.094 19382 5802 1 14 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.533 -0.381 19382 5803 1 14 . 1 1 67 67 ARG H H 67 7.803 7.803 7.558 0.245 19382 5804 1 14 . 1 1 68 68 ASP N N 68 116.394 116.394 119.336 -2.942 19382 5805 1 14 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.699 0.033 19382 5806 1 14 . 1 1 68 68 ASP CB C 68 42.683 42.683 43.086 -0.403 19382 5807 1 14 . 1 1 68 68 ASP H H 68 7.800 7.800 8.116 -0.316 19382 5808 1 14 . 1 1 69 69 MET N N 69 111.832 111.832 117.781 -5.949 19382 5809 1 14 . 1 1 69 69 MET HA H 69 4.902 4.902 4.361 0.541 19382 5810 1 14 . 1 1 69 69 MET CA C 69 53.703 53.703 57.009 -3.306 19382 5811 1 14 . 1 1 69 69 MET CB C 69 32.130 32.130 33.412 -1.282 19382 5812 1 14 . 1 1 69 69 MET H H 69 8.203 8.203 8.103 0.100 19382 5813 1 14 . 1 1 70 70 ASN N N 70 116.507 116.507 118.116 -1.609 19382 5814 1 14 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.594 -0.135 19382 5815 1 14 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.787 2.186 19382 5816 1 14 . 1 1 70 70 ASN CB C 70 38.772 38.772 37.870 0.902 19382 5817 1 14 . 1 1 70 70 ASN H H 70 7.724 7.724 7.874 -0.150 19382 5818 1 14 . 1 1 71 71 GLY N N 71 117.038 117.038 113.594 3.444 19382 5819 1 14 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.231 0.714 19382 5820 1 14 . 1 1 71 71 GLY H H 71 9.065 9.065 8.082 0.983 19382 5821 1 14 . 1 1 72 72 LYS N N 72 120.950 120.950 120.735 0.215 19382 5822 1 14 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.550 -0.115 19382 5823 1 14 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.821 0.603 19382 5824 1 14 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.536 -0.480 19382 5825 1 14 . 1 1 72 72 LYS H H 72 7.949 7.949 7.659 0.290 19382 5826 1 14 . 1 1 73 73 SER N N 73 112.847 112.847 112.843 0.004 19382 5827 1 14 . 1 1 73 73 SER HA H 73 5.076 5.076 5.144 -0.068 19382 5828 1 14 . 1 1 73 73 SER CA C 73 57.821 57.821 56.529 1.292 19382 5829 1 14 . 1 1 73 73 SER CB C 73 64.481 64.481 65.219 -0.738 19382 5830 1 14 . 1 1 73 73 SER H H 73 8.078 8.078 8.191 -0.113 19382 5831 1 14 . 1 1 74 74 LEU N N 74 127.515 127.515 124.170 3.345 19382 5832 1 14 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.726 -0.135 19382 5833 1 14 . 1 1 74 74 LEU CA C 74 54.810 54.810 53.642 1.167 19382 5834 1 14 . 1 1 74 74 LEU CB C 74 44.722 44.722 45.400 -0.678 19382 5835 1 14 . 1 1 74 74 LEU H H 74 9.069 9.069 8.776 0.293 19382 5836 1 14 . 1 1 75 75 ASP N N 75 128.803 128.803 124.334 4.469 19382 5837 1 14 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.247 0.094 19382 5838 1 14 . 1 1 75 75 ASP CA C 75 55.686 55.686 56.161 -0.475 19382 5839 1 14 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.898 -1.469 19382 5840 1 14 . 1 1 75 75 ASP H H 75 9.565 9.565 9.182 0.383 19382 5841 1 14 . 1 1 76 76 GLY N N 76 101.959 101.959 104.605 -2.646 19382 5842 1 14 . 1 1 76 76 GLY CA C 76 45.659 45.659 44.895 0.763 19382 5843 1 14 . 1 1 76 76 GLY H H 76 8.447 8.447 8.088 0.359 19382 5844 1 14 . 1 1 77 77 LYS N N 77 120.026 120.026 122.242 -2.216 19382 5845 1 14 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.741 -0.029 19382 5846 1 14 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.507 0.395 19382 5847 1 14 . 1 1 77 77 LYS H H 77 7.417 7.417 8.129 -0.712 19382 5848 1 14 . 1 1 78 78 ALA N N 78 125.190 125.190 127.346 -2.156 19382 5849 1 14 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.841 -0.304 19382 5850 1 14 . 1 1 78 78 ALA CA C 78 51.602 51.602 52.009 -0.407 19382 5851 1 14 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.420 -1.192 19382 5852 1 14 . 1 1 78 78 ALA H H 78 8.304 8.304 8.685 -0.381 19382 5853 1 14 . 1 1 79 79 ILE N N 79 119.566 119.566 116.215 3.351 19382 5854 1 14 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.171 -0.328 19382 5855 1 14 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.852 1.925 19382 5856 1 14 . 1 1 79 79 ILE CB C 79 40.554 40.554 41.989 -1.435 19382 5857 1 14 . 1 1 79 79 ILE H H 79 8.293 8.293 8.758 -0.465 19382 5858 1 14 . 1 1 80 80 LYS N N 80 123.948 123.948 120.534 3.414 19382 5859 1 14 . 1 1 80 80 LYS HA H 80 5.003 5.003 4.979 0.024 19382 5860 1 14 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.260 0.068 19382 5861 1 14 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.317 -1.347 19382 5862 1 14 . 1 1 80 80 LYS H H 80 8.552 8.552 8.695 -0.143 19382 5863 1 14 . 1 1 81 81 VAL N N 81 123.950 123.950 124.963 -1.013 19382 5864 1 14 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.122 0.178 19382 5865 1 14 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.837 0.186 19382 5866 1 14 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.878 -0.177 19382 5867 1 14 . 1 1 81 81 VAL H H 81 8.753 8.753 8.648 0.105 19382 5868 1 14 . 1 1 82 82 GLU N N 82 123.264 123.264 124.095 -0.831 19382 5869 1 14 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.650 0.103 19382 5870 1 14 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.382 1.591 19382 5871 1 14 . 1 1 82 82 GLU H H 82 9.060 9.060 8.432 0.628 19382 5872 1 14 . 1 1 83 83 GLN N N 83 121.972 121.972 121.806 0.166 19382 5873 1 14 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.407 -0.069 19382 5874 1 14 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.497 0.867 19382 5875 1 14 . 1 1 83 83 GLN CB C 83 28.986 28.986 29.208 -0.222 19382 5876 1 14 . 1 1 83 83 GLN H H 83 8.790 8.790 8.505 0.285 19382 5877 1 14 . 1 1 84 84 ALA N N 84 129.351 129.351 129.791 -0.440 19382 5878 1 14 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.611 0.665 19382 5879 1 14 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.394 0.468 19382 5880 1 14 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.453 -0.692 19382 5881 1 14 . 1 1 84 84 ALA H H 84 9.051 9.051 8.552 0.499 19382 5882 1 14 . 1 1 85 85 THR HA H 85 4.767 4.767 4.881 -0.114 19382 5883 1 14 . 1 1 85 85 THR CB C 85 70.557 70.557 71.950 -1.393 19382 5884 1 14 . 1 1 86 86 LYS N N 86 120.733 120.733 121.574 -0.841 19382 5885 1 14 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.387 0.073 19382 5886 1 14 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.766 0.547 19382 5887 1 14 . 1 1 86 86 LYS H H 86 8.517 8.517 8.010 0.507 19382 5888 1 14 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.453 -0.020 19382 5889 1 14 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.922 0.174 19382 5890 1 14 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.471 -0.353 19382 5891 1 14 . 1 1 88 88 SER N N 88 117.293 117.293 113.062 4.231 19382 5892 1 14 . 1 1 88 88 SER HA H 88 4.262 4.262 4.499 -0.237 19382 5893 1 14 . 1 1 88 88 SER CA C 88 59.204 59.204 58.463 0.741 19382 5894 1 14 . 1 1 88 88 SER CB C 88 63.891 63.891 63.294 0.597 19382 5895 1 14 . 1 1 88 88 SER H H 88 8.508 8.508 8.041 0.467 19382 5896 1 14 . 1 1 89 89 PHE N N 89 120.710 120.710 118.310 2.400 19382 5897 1 14 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.519 0.124 19382 5898 1 14 . 1 1 89 89 PHE CA C 89 57.469 57.469 59.152 -1.683 19382 5899 1 14 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.109 1.131 19382 5900 1 14 . 1 1 89 89 PHE H H 89 7.930 7.930 7.720 0.210 19382 5901 1 14 . 1 1 90 90 GLU N N 90 121.794 121.794 113.878 7.916 19382 5902 1 14 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.512 -0.225 19382 5903 1 14 . 1 1 90 90 GLU CA C 90 56.701 56.701 56.769 -0.068 19382 5904 1 14 . 1 1 90 90 GLU CB C 90 30.383 30.383 30.319 0.064 19382 5905 1 14 . 1 1 90 90 GLU H H 90 8.099 8.099 8.036 0.063 19382 5906 1 14 . 1 1 91 91 SER N N 91 116.607 116.607 113.706 2.901 19382 5907 1 14 . 1 1 91 91 SER HA H 91 4.419 4.419 4.567 -0.148 19382 5908 1 14 . 1 1 91 91 SER CA C 91 59.090 59.090 58.965 0.125 19382 5909 1 14 . 1 1 91 91 SER CB C 91 64.011 64.011 64.511 -0.500 19382 5910 1 14 . 1 1 91 91 SER H H 91 8.194 8.194 7.967 0.227 19382 5911 1 14 . 1 1 92 92 GLY N N 92 110.531 110.531 108.343 2.188 19382 5912 1 14 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.710 -0.217 19382 5913 1 14 . 1 1 92 92 GLY H H 92 8.395 8.395 8.076 0.319 19382 5914 1 14 . 1 1 93 93 ARG N N 93 120.515 120.515 120.352 0.163 19382 5915 1 14 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.519 -0.121 19382 5916 1 14 . 1 1 93 93 ARG CA C 93 56.203 56.203 55.018 1.185 19382 5917 1 14 . 1 1 93 93 ARG CB C 93 31.056 31.056 32.656 -1.599 19382 5918 1 14 . 1 1 93 93 ARG H H 93 8.046 8.046 7.955 0.091 19382 5919 1 14 . 1 1 94 94 ARG N N 94 123.050 123.050 121.037 2.013 19382 5920 1 14 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.109 0.299 19382 5921 1 14 . 1 1 94 94 ARG CB C 94 31.051 31.051 29.119 1.932 19382 5922 1 14 . 1 1 94 94 ARG H H 94 8.403 8.403 9.015 -0.612 19382 5923 1 15 . 1 1 2 2 VAL N N 2 120.711 120.711 120.305 0.406 19382 5924 1 15 . 1 1 2 2 VAL HA H 2 4.240 4.240 3.665 0.575 19382 5925 1 15 . 1 1 2 2 VAL CA C 2 61.832 61.832 63.498 -1.666 19382 5926 1 15 . 1 1 2 2 VAL CB C 2 33.321 33.321 31.334 1.987 19382 5927 1 15 . 1 1 2 2 VAL H H 2 8.063 8.063 8.806 -0.743 19382 5928 1 15 . 1 1 3 3 GLU N N 3 124.381 124.381 120.974 3.407 19382 5929 1 15 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.470 -0.037 19382 5930 1 15 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.590 0.070 19382 5931 1 15 . 1 1 3 3 GLU CB C 3 31.558 31.558 30.799 0.759 19382 5932 1 15 . 1 1 3 3 GLU H H 3 8.589 8.589 8.047 0.542 19382 5933 1 15 . 1 1 4 4 ALA N N 4 124.910 124.910 128.916 -4.006 19382 5934 1 15 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.566 -0.282 19382 5935 1 15 . 1 1 4 4 ALA CA C 4 53.537 53.537 50.639 2.898 19382 5936 1 15 . 1 1 4 4 ALA CB C 4 19.535 19.535 19.546 -0.011 19382 5937 1 15 . 1 1 4 4 ALA H H 4 8.442 8.442 8.480 -0.038 19382 5938 1 15 . 1 1 5 5 ASP N N 5 119.622 119.622 124.190 -4.568 19382 5939 1 15 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.495 0.148 19382 5940 1 15 . 1 1 5 5 ASP CB C 5 42.674 42.674 42.761 -0.087 19382 5941 1 15 . 1 1 5 5 ASP H H 5 8.363 8.363 8.365 -0.002 19382 5942 1 15 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.194 0.457 19382 5943 1 15 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.593 0.472 19382 5944 1 15 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.685 0.239 19382 5945 1 15 . 1 1 8 8 GLY N N 8 110.020 110.020 109.449 0.571 19382 5946 1 15 . 1 1 8 8 GLY CA C 8 45.373 45.373 44.991 0.382 19382 5947 1 15 . 1 1 8 8 GLY H H 8 8.879 8.879 8.367 0.512 19382 5948 1 15 . 1 1 9 9 LYS N N 9 121.894 121.894 123.487 -1.593 19382 5949 1 15 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.454 -0.317 19382 5950 1 15 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.246 0.782 19382 5951 1 15 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.352 0.835 19382 5952 1 15 . 1 1 9 9 LYS H H 9 8.011 8.011 7.599 0.412 19382 5953 1 15 . 1 1 10 10 LEU N N 10 127.289 127.289 126.376 0.913 19382 5954 1 15 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.330 -0.350 19382 5955 1 15 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.126 0.368 19382 5956 1 15 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.663 -1.169 19382 5957 1 15 . 1 1 10 10 LEU H H 10 9.536 9.536 9.089 0.447 19382 5958 1 15 . 1 1 11 11 PHE N N 11 123.068 123.068 122.955 0.113 19382 5959 1 15 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.763 -0.345 19382 5960 1 15 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.726 1.442 19382 5961 1 15 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.335 -1.129 19382 5962 1 15 . 1 1 11 11 PHE H H 11 9.386 9.386 9.299 0.087 19382 5963 1 15 . 1 1 12 12 ILE N N 12 127.476 127.476 126.815 0.661 19382 5964 1 15 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.702 0.111 19382 5965 1 15 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.774 2.017 19382 5966 1 15 . 1 1 12 12 ILE H H 12 7.949 7.949 8.053 -0.104 19382 5967 1 15 . 1 1 13 13 GLY N N 13 110.661 110.661 110.357 0.304 19382 5968 1 15 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.462 0.288 19382 5969 1 15 . 1 1 13 13 GLY H H 13 8.939 8.939 7.545 1.394 19382 5970 1 15 . 1 1 14 14 GLY N N 14 107.213 107.213 111.646 -4.433 19382 5971 1 15 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.784 0.992 19382 5972 1 15 . 1 1 14 14 GLY H H 14 8.126 8.126 8.618 -0.492 19382 5973 1 15 . 1 1 15 15 LEU N N 15 115.288 115.288 119.495 -4.207 19382 5974 1 15 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.138 -0.081 19382 5975 1 15 . 1 1 15 15 LEU CA C 15 54.639 54.639 54.960 -0.321 19382 5976 1 15 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.268 1.027 19382 5977 1 15 . 1 1 15 15 LEU H H 15 7.621 7.621 7.916 -0.295 19382 5978 1 15 . 1 1 16 16 ASN N N 16 120.674 120.674 118.179 2.495 19382 5979 1 15 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.712 -0.139 19382 5980 1 15 . 1 1 16 16 ASN CB C 16 38.631 38.631 40.135 -1.504 19382 5981 1 15 . 1 1 16 16 ASN H H 16 9.597 9.597 8.244 1.353 19382 5982 1 15 . 1 1 17 17 THR N N 17 122.538 122.538 112.775 9.763 19382 5983 1 15 . 1 1 17 17 THR HA H 17 3.900 3.900 4.136 -0.236 19382 5984 1 15 . 1 1 17 17 THR CA C 17 65.542 65.542 64.276 1.266 19382 5985 1 15 . 1 1 17 17 THR CB C 17 68.594 68.594 68.756 -0.162 19382 5986 1 15 . 1 1 17 17 THR H H 17 8.807 8.807 8.616 0.191 19382 5987 1 15 . 1 1 18 18 GLU N N 18 118.149 118.149 118.226 -0.077 19382 5988 1 15 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.411 -0.050 19382 5989 1 15 . 1 1 18 18 GLU CA C 18 56.413 56.413 56.322 0.091 19382 5990 1 15 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.157 0.757 19382 5991 1 15 . 1 1 18 18 GLU H H 18 8.757 8.757 8.587 0.170 19382 5992 1 15 . 1 1 19 19 THR N N 19 119.146 119.146 117.526 1.620 19382 5993 1 15 . 1 1 19 19 THR HA H 19 4.088 4.088 4.192 -0.104 19382 5994 1 15 . 1 1 19 19 THR CA C 19 64.959 64.959 63.891 1.068 19382 5995 1 15 . 1 1 19 19 THR CB C 19 68.536 68.536 69.698 -1.162 19382 5996 1 15 . 1 1 19 19 THR H H 19 7.627 7.627 7.517 0.110 19382 5997 1 15 . 1 1 20 20 ASN N N 20 126.361 126.361 122.290 4.071 19382 5998 1 15 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.856 0.060 19382 5999 1 15 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.943 -0.945 19382 6000 1 15 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.343 -0.989 19382 6001 1 15 . 1 1 20 20 ASN H H 20 8.076 8.076 8.419 -0.343 19382 6002 1 15 . 1 1 21 21 GLU N N 21 118.317 118.317 121.306 -2.989 19382 6003 1 15 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.050 -0.329 19382 6004 1 15 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.432 1.388 19382 6005 1 15 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.344 -0.473 19382 6006 1 15 . 1 1 21 21 GLU H H 21 10.233 10.233 8.702 1.531 19382 6007 1 15 . 1 1 22 22 LYS N N 22 118.930 118.930 119.181 -0.251 19382 6008 1 15 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.131 0.033 19382 6009 1 15 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.392 0.403 19382 6010 1 15 . 1 1 22 22 LYS CB C 22 31.727 31.727 31.944 -0.217 19382 6011 1 15 . 1 1 22 22 LYS H H 22 7.920 7.920 8.423 -0.503 19382 6012 1 15 . 1 1 23 23 ALA N N 23 123.201 123.201 120.415 2.786 19382 6013 1 15 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.297 0.026 19382 6014 1 15 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.378 0.643 19382 6015 1 15 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.417 0.607 19382 6016 1 15 . 1 1 23 23 ALA H H 23 7.915 7.915 7.402 0.513 19382 6017 1 15 . 1 1 24 24 LEU N N 24 116.213 116.213 118.585 -2.372 19382 6018 1 15 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.326 -0.159 19382 6019 1 15 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.104 0.991 19382 6020 1 15 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.355 0.103 19382 6021 1 15 . 1 1 24 24 LEU H H 24 7.760 7.760 7.293 0.467 19382 6022 1 15 . 1 1 25 25 GLU N N 25 119.637 119.637 118.843 0.794 19382 6023 1 15 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.051 -0.288 19382 6024 1 15 . 1 1 25 25 GLU CA C 25 60.215 60.215 59.062 1.153 19382 6025 1 15 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.577 0.272 19382 6026 1 15 . 1 1 25 25 GLU H H 25 8.545 8.545 8.514 0.031 19382 6027 1 15 . 1 1 26 26 ALA N N 26 121.001 121.001 120.971 0.030 19382 6028 1 15 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.274 -0.076 19382 6029 1 15 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.497 0.584 19382 6030 1 15 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.872 -0.452 19382 6031 1 15 . 1 1 26 26 ALA H H 26 7.975 7.975 7.490 0.485 19382 6032 1 15 . 1 1 27 27 VAL N N 27 115.732 115.732 116.294 -0.562 19382 6033 1 15 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.989 -0.046 19382 6034 1 15 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.087 1.160 19382 6035 1 15 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.520 0.234 19382 6036 1 15 . 1 1 27 27 VAL H H 27 7.817 7.817 7.443 0.374 19382 6037 1 15 . 1 1 28 28 PHE N N 28 115.329 115.329 118.356 -3.027 19382 6038 1 15 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.955 -0.313 19382 6039 1 15 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.870 2.832 19382 6040 1 15 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.191 -0.906 19382 6041 1 15 . 1 1 28 28 PHE H H 28 8.607 8.607 7.984 0.623 19382 6042 1 15 . 1 1 29 29 GLY N N 29 108.306 108.306 107.036 1.270 19382 6043 1 15 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.672 0.733 19382 6044 1 15 . 1 1 29 29 GLY H H 29 8.425 8.425 7.808 0.617 19382 6045 1 15 . 1 1 30 30 LYS N N 30 117.374 117.374 118.970 -1.596 19382 6046 1 15 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.072 0.024 19382 6047 1 15 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.498 0.395 19382 6048 1 15 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.816 0.180 19382 6049 1 15 . 1 1 30 30 LYS H H 30 6.970 6.970 7.595 -0.625 19382 6050 1 15 . 1 1 31 31 TYR N N 31 115.689 115.689 117.056 -1.367 19382 6051 1 15 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.782 -0.487 19382 6052 1 15 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.622 1.191 19382 6053 1 15 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.879 -2.086 19382 6054 1 15 . 1 1 31 31 TYR H H 31 7.741 7.741 7.589 0.152 19382 6055 1 15 . 1 1 32 32 GLY N N 32 104.475 104.475 104.336 0.139 19382 6056 1 15 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.509 -0.913 19382 6057 1 15 . 1 1 32 32 GLY H H 32 7.401 7.401 7.555 -0.154 19382 6058 1 15 . 1 1 33 33 ARG N N 33 116.936 116.936 120.518 -3.582 19382 6059 1 15 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.408 -0.126 19382 6060 1 15 . 1 1 33 33 ARG CA C 33 57.903 57.903 56.010 1.893 19382 6061 1 15 . 1 1 33 33 ARG CB C 33 30.754 30.754 30.711 0.043 19382 6062 1 15 . 1 1 33 33 ARG H H 33 8.286 8.286 8.524 -0.238 19382 6063 1 15 . 1 1 34 34 ILE N N 34 128.703 128.703 125.495 3.208 19382 6064 1 15 . 1 1 34 34 ILE HA H 34 4.028 4.028 4.030 -0.002 19382 6065 1 15 . 1 1 34 34 ILE CA C 34 60.851 60.851 61.938 -1.087 19382 6066 1 15 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.985 0.952 19382 6067 1 15 . 1 1 34 34 ILE H H 34 8.797 8.797 8.480 0.317 19382 6068 1 15 . 1 1 35 35 VAL N N 35 122.207 122.207 123.131 -0.924 19382 6069 1 15 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.325 -0.048 19382 6070 1 15 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.700 -0.312 19382 6071 1 15 . 1 1 35 35 VAL CB C 35 33.054 33.054 33.201 -0.147 19382 6072 1 15 . 1 1 35 35 VAL H H 35 8.859 8.859 8.798 0.061 19382 6073 1 15 . 1 1 36 36 GLU N N 36 118.922 118.922 118.743 0.179 19382 6074 1 15 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.528 0.007 19382 6075 1 15 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.900 0.944 19382 6076 1 15 . 1 1 36 36 GLU CB C 36 34.132 34.132 33.484 0.648 19382 6077 1 15 . 1 1 36 36 GLU H H 36 7.228 7.228 7.670 -0.442 19382 6078 1 15 . 1 1 37 37 VAL N N 37 126.068 126.068 123.709 2.359 19382 6079 1 15 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.456 -0.036 19382 6080 1 15 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.277 1.133 19382 6081 1 15 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.847 -0.939 19382 6082 1 15 . 1 1 37 37 VAL H H 37 8.607 8.607 8.583 0.024 19382 6083 1 15 . 1 1 38 38 LEU N N 38 129.638 129.638 126.554 3.084 19382 6084 1 15 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.867 -0.075 19382 6085 1 15 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.665 -0.270 19382 6086 1 15 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.160 -0.622 19382 6087 1 15 . 1 1 38 38 LEU H H 38 9.052 9.052 8.982 0.070 19382 6088 1 15 . 1 1 39 39 LEU N N 39 128.599 128.599 123.179 5.420 19382 6089 1 15 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.480 -0.080 19382 6090 1 15 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.392 -0.395 19382 6091 1 15 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.645 -0.413 19382 6092 1 15 . 1 1 39 39 LEU H H 39 9.030 9.030 8.374 0.656 19382 6093 1 15 . 1 1 40 40 MET N N 40 125.937 125.937 124.835 1.102 19382 6094 1 15 . 1 1 40 40 MET HA H 40 4.595 4.595 4.745 -0.150 19382 6095 1 15 . 1 1 40 40 MET CA C 40 54.617 54.617 53.212 1.405 19382 6096 1 15 . 1 1 40 40 MET CB C 40 29.778 29.778 32.647 -2.869 19382 6097 1 15 . 1 1 40 40 MET H H 40 7.848 7.848 8.367 -0.519 19382 6098 1 15 . 1 1 41 41 LYS N N 41 122.049 122.049 121.033 1.016 19382 6099 1 15 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.519 0.392 19382 6100 1 15 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.583 0.125 19382 6101 1 15 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.211 1.131 19382 6102 1 15 . 1 1 41 41 LYS H H 41 8.444 8.444 8.233 0.211 19382 6103 1 15 . 1 1 42 42 ASP N N 42 123.896 123.896 120.795 3.101 19382 6104 1 15 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.577 0.108 19382 6105 1 15 . 1 1 42 42 ASP CB C 42 43.050 43.050 42.693 0.357 19382 6106 1 15 . 1 1 42 42 ASP H H 42 8.864 8.864 8.703 0.161 19382 6107 1 15 . 1 1 43 43 ARG N N 43 126.892 126.892 124.844 2.048 19382 6108 1 15 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.304 -0.149 19382 6109 1 15 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.263 1.527 19382 6110 1 15 . 1 1 43 43 ARG CB C 43 30.330 30.330 29.726 0.604 19382 6111 1 15 . 1 1 43 43 ARG H H 43 8.983 8.983 8.669 0.314 19382 6112 1 15 . 1 1 44 44 GLU N N 44 117.468 117.468 118.676 -1.208 19382 6113 1 15 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.494 -0.123 19382 6114 1 15 . 1 1 44 44 GLU CA C 44 58.683 58.683 56.976 1.707 19382 6115 1 15 . 1 1 44 44 GLU CB C 44 30.160 30.160 31.076 -0.916 19382 6116 1 15 . 1 1 44 44 GLU H H 44 8.687 8.687 8.996 -0.309 19382 6117 1 15 . 1 1 45 45 THR N N 45 107.088 107.088 109.604 -2.516 19382 6118 1 15 . 1 1 45 45 THR HA H 45 4.447 4.447 4.449 -0.002 19382 6119 1 15 . 1 1 45 45 THR CA C 45 61.838 61.838 61.238 0.600 19382 6120 1 15 . 1 1 45 45 THR CB C 45 71.163 71.163 70.445 0.717 19382 6121 1 15 . 1 1 45 45 THR H H 45 8.172 8.172 7.727 0.445 19382 6122 1 15 . 1 1 46 46 ASN N N 46 117.525 117.525 119.273 -1.748 19382 6123 1 15 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.392 0.104 19382 6124 1 15 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.685 0.341 19382 6125 1 15 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.388 1.153 19382 6126 1 15 . 1 1 46 46 ASN H H 46 8.389 8.389 8.103 0.286 19382 6127 1 15 . 1 1 47 47 LYS N N 47 117.695 117.695 118.152 -0.457 19382 6128 1 15 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.182 0.275 19382 6129 1 15 . 1 1 47 47 LYS CA C 47 55.547 55.547 57.686 -2.139 19382 6130 1 15 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.120 0.948 19382 6131 1 15 . 1 1 47 47 LYS H H 47 7.649 7.649 7.583 0.066 19382 6132 1 15 . 1 1 48 48 SER N N 48 116.260 116.260 109.611 6.649 19382 6133 1 15 . 1 1 48 48 SER HA H 48 4.384 4.384 4.720 -0.336 19382 6134 1 15 . 1 1 48 48 SER CA C 48 58.462 58.462 56.871 1.591 19382 6135 1 15 . 1 1 48 48 SER CB C 48 64.621 64.621 65.203 -0.582 19382 6136 1 15 . 1 1 48 48 SER H H 48 8.787 8.787 8.104 0.683 19382 6137 1 15 . 1 1 49 49 ARG N N 49 124.026 124.026 125.786 -1.760 19382 6138 1 15 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.364 0.095 19382 6139 1 15 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.124 0.617 19382 6140 1 15 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.260 1.640 19382 6141 1 15 . 1 1 49 49 ARG H H 49 9.079 9.079 8.595 0.484 19382 6142 1 15 . 1 1 50 50 GLY N N 50 106.539 106.539 106.851 -0.312 19382 6143 1 15 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.751 0.097 19382 6144 1 15 . 1 1 50 50 GLY H H 50 9.178 9.178 8.125 1.053 19382 6145 1 15 . 1 1 51 51 PHE N N 51 112.056 112.056 115.016 -2.960 19382 6146 1 15 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.610 -0.314 19382 6147 1 15 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.007 1.107 19382 6148 1 15 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.692 -0.290 19382 6149 1 15 . 1 1 51 51 PHE H H 51 7.004 7.004 7.176 -0.172 19382 6150 1 15 . 1 1 52 52 ALA N N 52 120.974 120.974 120.109 0.865 19382 6151 1 15 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.883 -0.044 19382 6152 1 15 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.045 -1.379 19382 6153 1 15 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.040 3.552 19382 6154 1 15 . 1 1 52 52 ALA H H 52 8.832 8.832 7.636 1.196 19382 6155 1 15 . 1 1 53 53 PHE N N 53 113.680 113.680 115.480 -1.800 19382 6156 1 15 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.655 0.018 19382 6157 1 15 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.717 -0.577 19382 6158 1 15 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.336 -1.675 19382 6159 1 15 . 1 1 53 53 PHE H H 53 8.710 8.710 7.949 0.761 19382 6160 1 15 . 1 1 54 54 VAL N N 54 124.889 124.889 119.051 5.838 19382 6161 1 15 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.696 -0.016 19382 6162 1 15 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.268 0.075 19382 6163 1 15 . 1 1 54 54 VAL H H 54 8.800 8.800 8.599 0.201 19382 6164 1 15 . 1 1 55 55 THR N N 55 123.052 123.052 124.172 -1.120 19382 6165 1 15 . 1 1 55 55 THR HA H 55 5.159 5.159 5.411 -0.252 19382 6166 1 15 . 1 1 55 55 THR CA C 55 61.912 61.912 61.566 0.346 19382 6167 1 15 . 1 1 55 55 THR CB C 55 69.698 69.698 69.870 -0.172 19382 6168 1 15 . 1 1 55 55 THR H H 55 8.943 8.943 8.927 0.016 19382 6169 1 15 . 1 1 56 56 PHE N N 56 128.514 128.514 125.963 2.551 19382 6170 1 15 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.703 0.112 19382 6171 1 15 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.418 0.876 19382 6172 1 15 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.461 0.206 19382 6173 1 15 . 1 1 56 56 PHE H H 56 8.917 8.917 9.535 -0.618 19382 6174 1 15 . 1 1 57 57 GLU N N 57 121.809 121.809 121.485 0.324 19382 6175 1 15 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.253 -0.301 19382 6176 1 15 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.115 1.387 19382 6177 1 15 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.628 -0.077 19382 6178 1 15 . 1 1 57 57 GLU H H 57 8.240 8.240 8.545 -0.305 19382 6179 1 15 . 1 1 58 58 SER N N 58 112.478 112.478 113.393 -0.915 19382 6180 1 15 . 1 1 58 58 SER HA H 58 5.333 5.333 4.999 0.334 19382 6181 1 15 . 1 1 58 58 SER CA C 58 53.261 53.261 54.212 -0.951 19382 6182 1 15 . 1 1 58 58 SER CB C 58 64.505 64.505 64.640 -0.135 19382 6183 1 15 . 1 1 58 58 SER H H 58 9.461 9.461 7.698 1.763 19382 6184 1 15 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.510 -0.362 19382 6185 1 15 . 1 1 59 59 PRO CA C 59 65.069 65.069 64.009 1.060 19382 6186 1 15 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.946 0.456 19382 6187 1 15 . 1 1 60 60 ALA N N 60 120.882 120.882 120.455 0.427 19382 6188 1 15 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.444 -0.346 19382 6189 1 15 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.901 2.454 19382 6190 1 15 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.761 -1.347 19382 6191 1 15 . 1 1 60 60 ALA H H 60 7.957 7.957 7.598 0.359 19382 6192 1 15 . 1 1 61 61 ASP N N 61 120.196 120.196 120.605 -0.409 19382 6193 1 15 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.498 -0.194 19382 6194 1 15 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.085 -0.113 19382 6195 1 15 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.560 -0.272 19382 6196 1 15 . 1 1 61 61 ASP H H 61 7.157 7.157 7.727 -0.570 19382 6197 1 15 . 1 1 62 62 ALA N N 62 119.636 119.636 121.240 -1.604 19382 6198 1 15 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.692 0.575 19382 6199 1 15 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.384 -0.017 19382 6200 1 15 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.150 0.854 19382 6201 1 15 . 1 1 62 62 ALA H H 62 6.901 6.901 7.376 -0.475 19382 6202 1 15 . 1 1 63 63 LYS N N 63 117.322 117.322 118.668 -1.346 19382 6203 1 15 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.877 0.098 19382 6204 1 15 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.474 0.164 19382 6205 1 15 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.170 -0.124 19382 6206 1 15 . 1 1 63 63 LYS H H 63 7.605 7.605 7.712 -0.107 19382 6207 1 15 . 1 1 64 64 ASP N N 64 120.944 120.944 118.122 2.822 19382 6208 1 15 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.379 -0.015 19382 6209 1 15 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.538 0.956 19382 6210 1 15 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.936 -0.432 19382 6211 1 15 . 1 1 64 64 ASP H H 64 7.488 7.488 7.756 -0.268 19382 6212 1 15 . 1 1 65 65 ALA N N 65 122.197 122.197 120.553 1.644 19382 6213 1 15 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.794 -0.441 19382 6214 1 15 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.217 0.266 19382 6215 1 15 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.005 0.847 19382 6216 1 15 . 1 1 65 65 ALA H H 65 7.806 7.806 7.146 0.660 19382 6217 1 15 . 1 1 66 66 ALA N N 66 118.722 118.722 118.829 -0.107 19382 6218 1 15 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.087 -0.228 19382 6219 1 15 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.693 1.688 19382 6220 1 15 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.488 -0.674 19382 6221 1 15 . 1 1 66 66 ALA H H 66 8.247 8.247 7.778 0.469 19382 6222 1 15 . 1 1 67 67 ARG N N 67 116.529 116.529 115.279 1.250 19382 6223 1 15 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.326 -0.220 19382 6224 1 15 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.853 2.081 19382 6225 1 15 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.645 -0.493 19382 6226 1 15 . 1 1 67 67 ARG H H 67 7.803 7.803 7.412 0.391 19382 6227 1 15 . 1 1 68 68 ASP N N 68 116.394 116.394 118.142 -1.748 19382 6228 1 15 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.707 0.025 19382 6229 1 15 . 1 1 68 68 ASP CB C 68 42.683 42.683 42.888 -0.205 19382 6230 1 15 . 1 1 68 68 ASP H H 68 7.800 7.800 7.889 -0.089 19382 6231 1 15 . 1 1 69 69 MET N N 69 111.832 111.832 117.533 -5.701 19382 6232 1 15 . 1 1 69 69 MET HA H 69 4.902 4.902 4.415 0.487 19382 6233 1 15 . 1 1 69 69 MET CA C 69 53.703 53.703 54.701 -0.998 19382 6234 1 15 . 1 1 69 69 MET CB C 69 32.130 32.130 32.434 -0.304 19382 6235 1 15 . 1 1 69 69 MET H H 69 8.203 8.203 8.043 0.160 19382 6236 1 15 . 1 1 70 70 ASN N N 70 116.507 116.507 117.903 -1.396 19382 6237 1 15 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.570 -0.111 19382 6238 1 15 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.711 2.262 19382 6239 1 15 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.492 0.280 19382 6240 1 15 . 1 1 70 70 ASN H H 70 7.724 7.724 7.646 0.078 19382 6241 1 15 . 1 1 71 71 GLY N N 71 117.038 117.038 113.626 3.412 19382 6242 1 15 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.541 0.404 19382 6243 1 15 . 1 1 71 71 GLY H H 71 9.065 9.065 8.155 0.910 19382 6244 1 15 . 1 1 72 72 LYS N N 72 120.950 120.950 120.603 0.347 19382 6245 1 15 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.550 -0.115 19382 6246 1 15 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.924 0.500 19382 6247 1 15 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.567 -0.511 19382 6248 1 15 . 1 1 72 72 LYS H H 72 7.949 7.949 7.588 0.361 19382 6249 1 15 . 1 1 73 73 SER N N 73 112.847 112.847 113.324 -0.477 19382 6250 1 15 . 1 1 73 73 SER HA H 73 5.076 5.076 5.135 -0.059 19382 6251 1 15 . 1 1 73 73 SER CA C 73 57.821 57.821 56.647 1.175 19382 6252 1 15 . 1 1 73 73 SER CB C 73 64.481 64.481 64.927 -0.446 19382 6253 1 15 . 1 1 73 73 SER H H 73 8.078 8.078 8.381 -0.303 19382 6254 1 15 . 1 1 74 74 LEU N N 74 127.515 127.515 124.270 3.245 19382 6255 1 15 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.723 -0.132 19382 6256 1 15 . 1 1 74 74 LEU CA C 74 54.810 54.810 53.655 1.155 19382 6257 1 15 . 1 1 74 74 LEU CB C 74 44.722 44.722 45.127 -0.405 19382 6258 1 15 . 1 1 74 74 LEU H H 74 9.069 9.069 8.775 0.294 19382 6259 1 15 . 1 1 75 75 ASP N N 75 128.803 128.803 124.459 4.344 19382 6260 1 15 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.244 0.097 19382 6261 1 15 . 1 1 75 75 ASP CA C 75 55.686 55.686 56.180 -0.494 19382 6262 1 15 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.891 -1.462 19382 6263 1 15 . 1 1 75 75 ASP H H 75 9.565 9.565 9.192 0.373 19382 6264 1 15 . 1 1 76 76 GLY N N 76 101.959 101.959 104.574 -2.615 19382 6265 1 15 . 1 1 76 76 GLY CA C 76 45.659 45.659 44.939 0.720 19382 6266 1 15 . 1 1 76 76 GLY H H 76 8.447 8.447 8.137 0.310 19382 6267 1 15 . 1 1 77 77 LYS N N 77 120.026 120.026 121.768 -1.742 19382 6268 1 15 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.756 -0.044 19382 6269 1 15 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.312 0.590 19382 6270 1 15 . 1 1 77 77 LYS H H 77 7.417 7.417 8.052 -0.635 19382 6271 1 15 . 1 1 78 78 ALA N N 78 125.190 125.190 127.550 -2.360 19382 6272 1 15 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.814 -0.277 19382 6273 1 15 . 1 1 78 78 ALA CA C 78 51.602 51.602 52.089 -0.487 19382 6274 1 15 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.434 -1.206 19382 6275 1 15 . 1 1 78 78 ALA H H 78 8.304 8.304 8.710 -0.406 19382 6276 1 15 . 1 1 79 79 ILE N N 79 119.566 119.566 115.986 3.580 19382 6277 1 15 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.250 -0.407 19382 6278 1 15 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.763 2.014 19382 6279 1 15 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.124 -1.570 19382 6280 1 15 . 1 1 79 79 ILE H H 79 8.293 8.293 8.762 -0.469 19382 6281 1 15 . 1 1 80 80 LYS N N 80 123.948 123.948 120.520 3.428 19382 6282 1 15 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.029 -0.026 19382 6283 1 15 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.267 0.061 19382 6284 1 15 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.442 -1.472 19382 6285 1 15 . 1 1 80 80 LYS H H 80 8.552 8.552 8.687 -0.135 19382 6286 1 15 . 1 1 81 81 VAL N N 81 123.950 123.950 125.058 -1.108 19382 6287 1 15 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.222 0.078 19382 6288 1 15 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.808 0.215 19382 6289 1 15 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.676 0.025 19382 6290 1 15 . 1 1 81 81 VAL H H 81 8.753 8.753 8.776 -0.023 19382 6291 1 15 . 1 1 82 82 GLU N N 82 123.264 123.264 124.139 -0.875 19382 6292 1 15 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.656 0.097 19382 6293 1 15 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.617 1.356 19382 6294 1 15 . 1 1 82 82 GLU H H 82 9.060 9.060 8.402 0.658 19382 6295 1 15 . 1 1 83 83 GLN N N 83 121.972 121.972 122.072 -0.100 19382 6296 1 15 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.548 -0.210 19382 6297 1 15 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.620 0.744 19382 6298 1 15 . 1 1 83 83 GLN CB C 83 28.986 28.986 28.887 0.099 19382 6299 1 15 . 1 1 83 83 GLN H H 83 8.790 8.790 8.540 0.250 19382 6300 1 15 . 1 1 84 84 ALA N N 84 129.351 129.351 129.269 0.082 19382 6301 1 15 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.511 0.765 19382 6302 1 15 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.108 0.754 19382 6303 1 15 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.380 -0.619 19382 6304 1 15 . 1 1 84 84 ALA H H 84 9.051 9.051 8.643 0.408 19382 6305 1 15 . 1 1 85 85 THR HA H 85 4.767 4.767 4.868 -0.101 19382 6306 1 15 . 1 1 85 85 THR CB C 85 70.557 70.557 71.460 -0.903 19382 6307 1 15 . 1 1 86 86 LYS N N 86 120.733 120.733 122.282 -1.549 19382 6308 1 15 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.335 0.125 19382 6309 1 15 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.549 0.764 19382 6310 1 15 . 1 1 86 86 LYS H H 86 8.517 8.517 8.469 0.048 19382 6311 1 15 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.188 0.245 19382 6312 1 15 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.625 0.471 19382 6313 1 15 . 1 1 87 87 PRO CB C 87 32.118 32.118 31.411 0.707 19382 6314 1 15 . 1 1 88 88 SER N N 88 117.293 117.293 116.049 1.244 19382 6315 1 15 . 1 1 88 88 SER HA H 88 4.262 4.262 4.513 -0.251 19382 6316 1 15 . 1 1 88 88 SER CA C 88 59.204 59.204 58.531 0.673 19382 6317 1 15 . 1 1 88 88 SER CB C 88 63.891 63.891 63.420 0.471 19382 6318 1 15 . 1 1 88 88 SER H H 88 8.508 8.508 8.299 0.209 19382 6319 1 15 . 1 1 89 89 PHE N N 89 120.710 120.710 118.153 2.557 19382 6320 1 15 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.665 -0.022 19382 6321 1 15 . 1 1 89 89 PHE CA C 89 57.469 57.469 55.913 1.556 19382 6322 1 15 . 1 1 89 89 PHE CB C 89 39.240 39.240 37.925 1.315 19382 6323 1 15 . 1 1 89 89 PHE H H 89 7.930 7.930 7.570 0.360 19382 6324 1 15 . 1 1 90 90 GLU N N 90 121.794 121.794 120.898 0.896 19382 6325 1 15 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.484 -0.197 19382 6326 1 15 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.881 0.820 19382 6327 1 15 . 1 1 90 90 GLU CB C 90 30.383 30.383 30.395 -0.012 19382 6328 1 15 . 1 1 90 90 GLU H H 90 8.099 8.099 7.813 0.286 19382 6329 1 15 . 1 1 91 91 SER N N 91 116.607 116.607 116.255 0.352 19382 6330 1 15 . 1 1 91 91 SER HA H 91 4.419 4.419 4.543 -0.124 19382 6331 1 15 . 1 1 91 91 SER CA C 91 59.090 59.090 58.481 0.609 19382 6332 1 15 . 1 1 91 91 SER CB C 91 64.011 64.011 62.998 1.013 19382 6333 1 15 . 1 1 91 91 SER H H 91 8.194 8.194 8.489 -0.295 19382 6334 1 15 . 1 1 92 92 GLY N N 92 110.531 110.531 108.660 1.871 19382 6335 1 15 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.405 0.088 19382 6336 1 15 . 1 1 92 92 GLY H H 92 8.395 8.395 8.291 0.104 19382 6337 1 15 . 1 1 93 93 ARG N N 93 120.515 120.515 116.996 3.519 19382 6338 1 15 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.048 0.350 19382 6339 1 15 . 1 1 93 93 ARG CA C 93 56.203 56.203 57.504 -1.301 19382 6340 1 15 . 1 1 93 93 ARG CB C 93 31.056 31.056 29.845 1.211 19382 6341 1 15 . 1 1 93 93 ARG H H 93 8.046 8.046 8.573 -0.527 19382 6342 1 15 . 1 1 94 94 ARG N N 94 123.050 123.050 117.772 5.278 19382 6343 1 15 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.585 -0.177 19382 6344 1 15 . 1 1 94 94 ARG CB C 94 31.051 31.051 32.710 -1.659 19382 6345 1 15 . 1 1 94 94 ARG H H 94 8.403 8.403 7.405 0.998 19382 6346 1 16 . 1 1 2 2 VAL N N 2 120.711 120.711 124.893 -4.182 19382 6347 1 16 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.418 -0.178 19382 6348 1 16 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.039 -0.207 19382 6349 1 16 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.988 0.333 19382 6350 1 16 . 1 1 2 2 VAL H H 2 8.063 8.063 8.295 -0.232 19382 6351 1 16 . 1 1 3 3 GLU N N 3 124.381 124.381 127.734 -3.353 19382 6352 1 16 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.485 -0.053 19382 6353 1 16 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.364 0.296 19382 6354 1 16 . 1 1 3 3 GLU CB C 3 31.558 31.558 31.833 -0.275 19382 6355 1 16 . 1 1 3 3 GLU H H 3 8.589 8.589 8.137 0.452 19382 6356 1 16 . 1 1 4 4 ALA N N 4 124.910 124.910 127.838 -2.928 19382 6357 1 16 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.932 -0.648 19382 6358 1 16 . 1 1 4 4 ALA CA C 4 53.537 53.537 50.869 2.668 19382 6359 1 16 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.490 -0.955 19382 6360 1 16 . 1 1 4 4 ALA H H 4 8.442 8.442 8.491 -0.049 19382 6361 1 16 . 1 1 5 5 ASP N N 5 119.622 119.622 125.561 -5.939 19382 6362 1 16 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.353 0.290 19382 6363 1 16 . 1 1 5 5 ASP CB C 5 42.674 42.674 41.387 1.287 19382 6364 1 16 . 1 1 5 5 ASP H H 5 8.363 8.363 8.832 -0.469 19382 6365 1 16 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.264 0.387 19382 6366 1 16 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.845 0.220 19382 6367 1 16 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.472 0.452 19382 6368 1 16 . 1 1 8 8 GLY N N 8 110.020 110.020 110.990 -0.970 19382 6369 1 16 . 1 1 8 8 GLY CA C 8 45.373 45.373 44.993 0.380 19382 6370 1 16 . 1 1 8 8 GLY H H 8 8.879 8.879 8.520 0.359 19382 6371 1 16 . 1 1 9 9 LYS N N 9 121.894 121.894 123.637 -1.743 19382 6372 1 16 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.324 -0.187 19382 6373 1 16 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.530 0.498 19382 6374 1 16 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.212 0.975 19382 6375 1 16 . 1 1 9 9 LYS H H 9 8.011 8.011 7.631 0.380 19382 6376 1 16 . 1 1 10 10 LEU N N 10 127.289 127.289 126.841 0.448 19382 6377 1 16 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.333 -0.353 19382 6378 1 16 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.197 0.297 19382 6379 1 16 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.435 -0.941 19382 6380 1 16 . 1 1 10 10 LEU H H 10 9.536 9.536 9.149 0.387 19382 6381 1 16 . 1 1 11 11 PHE N N 11 123.068 123.068 123.302 -0.234 19382 6382 1 16 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.815 -0.397 19382 6383 1 16 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.797 1.371 19382 6384 1 16 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.266 -1.060 19382 6385 1 16 . 1 1 11 11 PHE H H 11 9.386 9.386 9.344 0.042 19382 6386 1 16 . 1 1 12 12 ILE N N 12 127.476 127.476 126.984 0.492 19382 6387 1 16 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.659 0.154 19382 6388 1 16 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.634 2.157 19382 6389 1 16 . 1 1 12 12 ILE H H 12 7.949 7.949 8.050 -0.101 19382 6390 1 16 . 1 1 13 13 GLY N N 13 110.661 110.661 110.107 0.554 19382 6391 1 16 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.463 0.287 19382 6392 1 16 . 1 1 13 13 GLY H H 13 8.939 8.939 7.573 1.366 19382 6393 1 16 . 1 1 14 14 GLY N N 14 107.213 107.213 111.739 -4.526 19382 6394 1 16 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.775 1.002 19382 6395 1 16 . 1 1 14 14 GLY H H 14 8.126 8.126 8.705 -0.579 19382 6396 1 16 . 1 1 15 15 LEU N N 15 115.288 115.288 120.016 -4.728 19382 6397 1 16 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.060 -0.003 19382 6398 1 16 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.317 -0.678 19382 6399 1 16 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.159 1.136 19382 6400 1 16 . 1 1 15 15 LEU H H 15 7.621 7.621 7.652 -0.031 19382 6401 1 16 . 1 1 16 16 ASN N N 16 120.674 120.674 118.472 2.202 19382 6402 1 16 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.640 -0.067 19382 6403 1 16 . 1 1 16 16 ASN CB C 16 38.631 38.631 40.097 -1.466 19382 6404 1 16 . 1 1 16 16 ASN H H 16 9.597 9.597 8.392 1.205 19382 6405 1 16 . 1 1 17 17 THR N N 17 122.538 122.538 112.769 9.769 19382 6406 1 16 . 1 1 17 17 THR HA H 17 3.900 3.900 4.253 -0.353 19382 6407 1 16 . 1 1 17 17 THR CA C 17 65.542 65.542 64.024 1.518 19382 6408 1 16 . 1 1 17 17 THR CB C 17 68.594 68.594 68.815 -0.221 19382 6409 1 16 . 1 1 17 17 THR H H 17 8.807 8.807 8.677 0.130 19382 6410 1 16 . 1 1 18 18 GLU N N 18 118.149 118.149 118.350 -0.201 19382 6411 1 16 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.523 -0.162 19382 6412 1 16 . 1 1 18 18 GLU CA C 18 56.413 56.413 56.007 0.406 19382 6413 1 16 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.510 0.404 19382 6414 1 16 . 1 1 18 18 GLU H H 18 8.757 8.757 8.493 0.264 19382 6415 1 16 . 1 1 19 19 THR N N 19 119.146 119.146 117.735 1.411 19382 6416 1 16 . 1 1 19 19 THR HA H 19 4.088 4.088 4.315 -0.227 19382 6417 1 16 . 1 1 19 19 THR CA C 19 64.959 64.959 63.518 1.441 19382 6418 1 16 . 1 1 19 19 THR CB C 19 68.536 68.536 69.875 -1.339 19382 6419 1 16 . 1 1 19 19 THR H H 19 7.627 7.627 7.487 0.140 19382 6420 1 16 . 1 1 20 20 ASN N N 20 126.361 126.361 122.389 3.972 19382 6421 1 16 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.951 -0.035 19382 6422 1 16 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.899 -0.901 19382 6423 1 16 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.046 -0.692 19382 6424 1 16 . 1 1 20 20 ASN H H 20 8.076 8.076 8.393 -0.317 19382 6425 1 16 . 1 1 21 21 GLU N N 21 118.317 118.317 121.306 -2.989 19382 6426 1 16 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.011 -0.290 19382 6427 1 16 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.159 1.661 19382 6428 1 16 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.552 -0.681 19382 6429 1 16 . 1 1 21 21 GLU H H 21 10.233 10.233 8.740 1.493 19382 6430 1 16 . 1 1 22 22 LYS N N 22 118.930 118.930 119.151 -0.221 19382 6431 1 16 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.136 0.028 19382 6432 1 16 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.537 0.258 19382 6433 1 16 . 1 1 22 22 LYS CB C 22 31.727 31.727 31.957 -0.230 19382 6434 1 16 . 1 1 22 22 LYS H H 22 7.920 7.920 8.361 -0.441 19382 6435 1 16 . 1 1 23 23 ALA N N 23 123.201 123.201 121.165 2.036 19382 6436 1 16 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.274 0.049 19382 6437 1 16 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.521 0.500 19382 6438 1 16 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.459 0.566 19382 6439 1 16 . 1 1 23 23 ALA H H 23 7.915 7.915 7.459 0.456 19382 6440 1 16 . 1 1 24 24 LEU N N 24 116.213 116.213 118.605 -2.392 19382 6441 1 16 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.333 -0.166 19382 6442 1 16 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.196 0.899 19382 6443 1 16 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.323 0.135 19382 6444 1 16 . 1 1 24 24 LEU H H 24 7.760 7.760 7.280 0.480 19382 6445 1 16 . 1 1 25 25 GLU N N 25 119.637 119.637 118.942 0.695 19382 6446 1 16 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.052 -0.289 19382 6447 1 16 . 1 1 25 25 GLU CA C 25 60.215 60.215 59.111 1.104 19382 6448 1 16 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.686 0.163 19382 6449 1 16 . 1 1 25 25 GLU H H 25 8.545 8.545 8.658 -0.113 19382 6450 1 16 . 1 1 26 26 ALA N N 26 121.001 121.001 120.325 0.676 19382 6451 1 16 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.236 -0.038 19382 6452 1 16 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.359 0.722 19382 6453 1 16 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.925 -0.506 19382 6454 1 16 . 1 1 26 26 ALA H H 26 7.975 7.975 7.485 0.490 19382 6455 1 16 . 1 1 27 27 VAL N N 27 115.732 115.732 117.132 -1.400 19382 6456 1 16 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.877 0.066 19382 6457 1 16 . 1 1 27 27 VAL CA C 27 65.247 65.247 63.889 1.358 19382 6458 1 16 . 1 1 27 27 VAL CB C 27 32.754 32.754 33.000 -0.246 19382 6459 1 16 . 1 1 27 27 VAL H H 27 7.817 7.817 7.483 0.334 19382 6460 1 16 . 1 1 28 28 PHE N N 28 115.329 115.329 118.097 -2.768 19382 6461 1 16 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.967 -0.325 19382 6462 1 16 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.657 3.045 19382 6463 1 16 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.478 -1.194 19382 6464 1 16 . 1 1 28 28 PHE H H 28 8.607 8.607 7.786 0.821 19382 6465 1 16 . 1 1 29 29 GLY N N 29 108.306 108.306 107.270 1.036 19382 6466 1 16 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.658 0.747 19382 6467 1 16 . 1 1 29 29 GLY H H 29 8.425 8.425 7.851 0.574 19382 6468 1 16 . 1 1 30 30 LYS N N 30 117.374 117.374 118.849 -1.475 19382 6469 1 16 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.078 0.018 19382 6470 1 16 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.499 0.394 19382 6471 1 16 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.769 0.227 19382 6472 1 16 . 1 1 30 30 LYS H H 30 6.970 6.970 7.682 -0.712 19382 6473 1 16 . 1 1 31 31 TYR N N 31 115.689 115.689 117.044 -1.355 19382 6474 1 16 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.787 -0.492 19382 6475 1 16 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.613 1.200 19382 6476 1 16 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.794 -2.001 19382 6477 1 16 . 1 1 31 31 TYR H H 31 7.741 7.741 7.595 0.146 19382 6478 1 16 . 1 1 32 32 GLY N N 32 104.475 104.475 104.502 -0.027 19382 6479 1 16 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.443 -0.847 19382 6480 1 16 . 1 1 32 32 GLY H H 32 7.401 7.401 7.511 -0.110 19382 6481 1 16 . 1 1 33 33 ARG N N 33 116.936 116.936 121.007 -4.071 19382 6482 1 16 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.406 -0.124 19382 6483 1 16 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.950 1.953 19382 6484 1 16 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.082 -0.328 19382 6485 1 16 . 1 1 33 33 ARG H H 33 8.286 8.286 8.507 -0.221 19382 6486 1 16 . 1 1 34 34 ILE N N 34 128.703 128.703 126.975 1.728 19382 6487 1 16 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.946 0.082 19382 6488 1 16 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.465 -1.614 19382 6489 1 16 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.513 1.424 19382 6490 1 16 . 1 1 34 34 ILE H H 34 8.797 8.797 8.467 0.330 19382 6491 1 16 . 1 1 35 35 VAL N N 35 122.207 122.207 121.995 0.212 19382 6492 1 16 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.366 -0.089 19382 6493 1 16 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.215 0.173 19382 6494 1 16 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.915 0.139 19382 6495 1 16 . 1 1 35 35 VAL H H 35 8.859 8.859 8.940 -0.081 19382 6496 1 16 . 1 1 36 36 GLU N N 36 118.922 118.922 119.910 -0.988 19382 6497 1 16 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.532 0.003 19382 6498 1 16 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.988 0.856 19382 6499 1 16 . 1 1 36 36 GLU CB C 36 34.132 34.132 33.127 1.005 19382 6500 1 16 . 1 1 36 36 GLU H H 36 7.228 7.228 7.701 -0.473 19382 6501 1 16 . 1 1 37 37 VAL N N 37 126.068 126.068 123.677 2.391 19382 6502 1 16 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.517 -0.097 19382 6503 1 16 . 1 1 37 37 VAL CA C 37 62.410 62.410 60.987 1.423 19382 6504 1 16 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.532 -0.624 19382 6505 1 16 . 1 1 37 37 VAL H H 37 8.607 8.607 8.520 0.087 19382 6506 1 16 . 1 1 38 38 LEU N N 38 129.638 129.638 125.993 3.645 19382 6507 1 16 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.790 0.002 19382 6508 1 16 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.947 -0.552 19382 6509 1 16 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.671 -1.133 19382 6510 1 16 . 1 1 38 38 LEU H H 38 9.052 9.052 9.022 0.030 19382 6511 1 16 . 1 1 39 39 LEU N N 39 128.599 128.599 123.208 5.391 19382 6512 1 16 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.547 -0.147 19382 6513 1 16 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.517 -0.520 19382 6514 1 16 . 1 1 39 39 LEU CB C 39 44.232 44.232 45.126 -0.894 19382 6515 1 16 . 1 1 39 39 LEU H H 39 9.030 9.030 8.392 0.638 19382 6516 1 16 . 1 1 40 40 MET N N 40 125.937 125.937 125.189 0.748 19382 6517 1 16 . 1 1 40 40 MET HA H 40 4.595 4.595 4.755 -0.160 19382 6518 1 16 . 1 1 40 40 MET CA C 40 54.617 54.617 53.157 1.460 19382 6519 1 16 . 1 1 40 40 MET CB C 40 29.778 29.778 32.401 -2.623 19382 6520 1 16 . 1 1 40 40 MET H H 40 7.848 7.848 8.127 -0.279 19382 6521 1 16 . 1 1 41 41 LYS N N 41 122.049 122.049 120.115 1.934 19382 6522 1 16 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.892 0.019 19382 6523 1 16 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.624 0.084 19382 6524 1 16 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.581 0.761 19382 6525 1 16 . 1 1 41 41 LYS H H 41 8.444 8.444 8.377 0.067 19382 6526 1 16 . 1 1 42 42 ASP N N 42 123.896 123.896 121.701 2.195 19382 6527 1 16 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.541 0.144 19382 6528 1 16 . 1 1 42 42 ASP CB C 42 43.050 43.050 43.273 -0.223 19382 6529 1 16 . 1 1 42 42 ASP H H 42 8.864 8.864 8.905 -0.041 19382 6530 1 16 . 1 1 43 43 ARG N N 43 126.892 126.892 123.285 3.607 19382 6531 1 16 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.373 -0.218 19382 6532 1 16 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.250 1.540 19382 6533 1 16 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.185 0.145 19382 6534 1 16 . 1 1 43 43 ARG H H 43 8.983 8.983 8.587 0.396 19382 6535 1 16 . 1 1 44 44 GLU N N 44 117.468 117.468 120.151 -2.683 19382 6536 1 16 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.468 -0.097 19382 6537 1 16 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.304 1.379 19382 6538 1 16 . 1 1 44 44 GLU CB C 44 30.160 30.160 30.043 0.117 19382 6539 1 16 . 1 1 44 44 GLU H H 44 8.687 8.687 8.932 -0.245 19382 6540 1 16 . 1 1 45 45 THR N N 45 107.088 107.088 108.662 -1.574 19382 6541 1 16 . 1 1 45 45 THR HA H 45 4.447 4.447 4.477 -0.030 19382 6542 1 16 . 1 1 45 45 THR CA C 45 61.838 61.838 60.947 0.891 19382 6543 1 16 . 1 1 45 45 THR CB C 45 71.163 71.163 70.346 0.817 19382 6544 1 16 . 1 1 45 45 THR H H 45 8.172 8.172 7.545 0.627 19382 6545 1 16 . 1 1 46 46 ASN N N 46 117.525 117.525 118.120 -0.595 19382 6546 1 16 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.489 0.007 19382 6547 1 16 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.775 0.252 19382 6548 1 16 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.645 0.896 19382 6549 1 16 . 1 1 46 46 ASN H H 46 8.389 8.389 8.092 0.297 19382 6550 1 16 . 1 1 47 47 LYS N N 47 117.695 117.695 119.151 -1.456 19382 6551 1 16 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.470 -0.013 19382 6552 1 16 . 1 1 47 47 LYS CA C 47 55.547 55.547 54.670 0.877 19382 6553 1 16 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.397 0.671 19382 6554 1 16 . 1 1 47 47 LYS H H 47 7.649 7.649 7.467 0.182 19382 6555 1 16 . 1 1 48 48 SER N N 48 116.260 116.260 119.722 -3.462 19382 6556 1 16 . 1 1 48 48 SER HA H 48 4.384 4.384 4.453 -0.069 19382 6557 1 16 . 1 1 48 48 SER CA C 48 58.462 58.462 59.733 -1.271 19382 6558 1 16 . 1 1 48 48 SER CB C 48 64.621 64.621 63.415 1.206 19382 6559 1 16 . 1 1 48 48 SER H H 48 8.787 8.787 8.702 0.085 19382 6560 1 16 . 1 1 49 49 ARG N N 49 124.026 124.026 124.727 -0.701 19382 6561 1 16 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.321 0.138 19382 6562 1 16 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.406 0.335 19382 6563 1 16 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.226 1.674 19382 6564 1 16 . 1 1 49 49 ARG H H 49 9.079 9.079 8.834 0.245 19382 6565 1 16 . 1 1 50 50 GLY N N 50 106.539 106.539 106.595 -0.056 19382 6566 1 16 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.258 0.590 19382 6567 1 16 . 1 1 50 50 GLY H H 50 9.178 9.178 8.592 0.586 19382 6568 1 16 . 1 1 51 51 PHE N N 51 112.056 112.056 115.908 -3.852 19382 6569 1 16 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.632 -0.336 19382 6570 1 16 . 1 1 51 51 PHE CA C 51 55.113 55.113 53.980 1.133 19382 6571 1 16 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.718 -0.316 19382 6572 1 16 . 1 1 51 51 PHE H H 51 7.004 7.004 7.326 -0.322 19382 6573 1 16 . 1 1 52 52 ALA N N 52 120.974 120.974 120.548 0.426 19382 6574 1 16 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.807 0.032 19382 6575 1 16 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.036 -1.370 19382 6576 1 16 . 1 1 52 52 ALA CB C 52 25.592 25.592 21.975 3.617 19382 6577 1 16 . 1 1 52 52 ALA H H 52 8.832 8.832 7.461 1.371 19382 6578 1 16 . 1 1 53 53 PHE N N 53 113.680 113.680 115.382 -1.702 19382 6579 1 16 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.716 -0.043 19382 6580 1 16 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.589 -0.449 19382 6581 1 16 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.302 -1.641 19382 6582 1 16 . 1 1 53 53 PHE H H 53 8.710 8.710 7.914 0.796 19382 6583 1 16 . 1 1 54 54 VAL N N 54 124.889 124.889 119.298 5.591 19382 6584 1 16 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.717 -0.037 19382 6585 1 16 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.337 0.006 19382 6586 1 16 . 1 1 54 54 VAL H H 54 8.800 8.800 8.570 0.230 19382 6587 1 16 . 1 1 55 55 THR N N 55 123.052 123.052 124.518 -1.466 19382 6588 1 16 . 1 1 55 55 THR HA H 55 5.159 5.159 5.383 -0.224 19382 6589 1 16 . 1 1 55 55 THR CA C 55 61.912 61.912 61.571 0.341 19382 6590 1 16 . 1 1 55 55 THR CB C 55 69.698 69.698 69.839 -0.141 19382 6591 1 16 . 1 1 55 55 THR H H 55 8.943 8.943 8.941 0.002 19382 6592 1 16 . 1 1 56 56 PHE N N 56 128.514 128.514 125.812 2.702 19382 6593 1 16 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.972 -0.157 19382 6594 1 16 . 1 1 56 56 PHE CA C 56 58.294 58.294 56.920 1.374 19382 6595 1 16 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.596 0.070 19382 6596 1 16 . 1 1 56 56 PHE H H 56 8.917 8.917 9.232 -0.315 19382 6597 1 16 . 1 1 57 57 GLU N N 57 121.809 121.809 121.754 0.055 19382 6598 1 16 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.203 -0.251 19382 6599 1 16 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.794 0.708 19382 6600 1 16 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.399 0.152 19382 6601 1 16 . 1 1 57 57 GLU H H 57 8.240 8.240 8.816 -0.576 19382 6602 1 16 . 1 1 58 58 SER N N 58 112.478 112.478 112.569 -0.091 19382 6603 1 16 . 1 1 58 58 SER HA H 58 5.333 5.333 4.991 0.342 19382 6604 1 16 . 1 1 58 58 SER CA C 58 53.261 53.261 54.125 -0.864 19382 6605 1 16 . 1 1 58 58 SER CB C 58 64.505 64.505 64.753 -0.248 19382 6606 1 16 . 1 1 58 58 SER H H 58 9.461 9.461 7.659 1.802 19382 6607 1 16 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.609 -0.461 19382 6608 1 16 . 1 1 59 59 PRO CA C 59 65.069 65.069 63.959 1.110 19382 6609 1 16 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.911 0.491 19382 6610 1 16 . 1 1 60 60 ALA N N 60 120.882 120.882 120.454 0.428 19382 6611 1 16 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.456 -0.358 19382 6612 1 16 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.875 2.480 19382 6613 1 16 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.897 -1.484 19382 6614 1 16 . 1 1 60 60 ALA H H 60 7.957 7.957 7.666 0.291 19382 6615 1 16 . 1 1 61 61 ASP N N 61 120.196 120.196 120.497 -0.301 19382 6616 1 16 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.482 -0.178 19382 6617 1 16 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.107 -0.135 19382 6618 1 16 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.518 -0.230 19382 6619 1 16 . 1 1 61 61 ASP H H 61 7.157 7.157 7.721 -0.564 19382 6620 1 16 . 1 1 62 62 ALA N N 62 119.636 119.636 121.113 -1.477 19382 6621 1 16 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.704 0.563 19382 6622 1 16 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.516 -0.149 19382 6623 1 16 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.217 0.787 19382 6624 1 16 . 1 1 62 62 ALA H H 62 6.901 6.901 7.353 -0.452 19382 6625 1 16 . 1 1 63 63 LYS N N 63 117.322 117.322 118.476 -1.154 19382 6626 1 16 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.889 0.086 19382 6627 1 16 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.455 0.183 19382 6628 1 16 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.142 -0.097 19382 6629 1 16 . 1 1 63 63 LYS H H 63 7.605 7.605 7.740 -0.135 19382 6630 1 16 . 1 1 64 64 ASP N N 64 120.944 120.944 118.218 2.726 19382 6631 1 16 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.381 -0.017 19382 6632 1 16 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.468 1.027 19382 6633 1 16 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.898 -0.394 19382 6634 1 16 . 1 1 64 64 ASP H H 64 7.488 7.488 7.672 -0.184 19382 6635 1 16 . 1 1 65 65 ALA N N 65 122.197 122.197 120.574 1.623 19382 6636 1 16 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.680 -0.327 19382 6637 1 16 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.172 0.311 19382 6638 1 16 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.010 0.842 19382 6639 1 16 . 1 1 65 65 ALA H H 65 7.806 7.806 7.140 0.666 19382 6640 1 16 . 1 1 66 66 ALA N N 66 118.722 118.722 118.900 -0.178 19382 6641 1 16 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.088 -0.229 19382 6642 1 16 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.704 1.677 19382 6643 1 16 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.496 -0.682 19382 6644 1 16 . 1 1 66 66 ALA H H 66 8.247 8.247 7.790 0.457 19382 6645 1 16 . 1 1 67 67 ARG N N 67 116.529 116.529 116.159 0.370 19382 6646 1 16 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.338 -0.232 19382 6647 1 16 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.798 2.136 19382 6648 1 16 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.545 -0.393 19382 6649 1 16 . 1 1 67 67 ARG H H 67 7.803 7.803 7.522 0.281 19382 6650 1 16 . 1 1 68 68 ASP N N 68 116.394 116.394 119.044 -2.650 19382 6651 1 16 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.699 0.033 19382 6652 1 16 . 1 1 68 68 ASP CB C 68 42.683 42.683 43.138 -0.455 19382 6653 1 16 . 1 1 68 68 ASP H H 68 7.800 7.800 8.115 -0.315 19382 6654 1 16 . 1 1 69 69 MET N N 69 111.832 111.832 116.090 -4.258 19382 6655 1 16 . 1 1 69 69 MET HA H 69 4.902 4.902 4.378 0.524 19382 6656 1 16 . 1 1 69 69 MET CA C 69 53.703 53.703 54.741 -1.038 19382 6657 1 16 . 1 1 69 69 MET CB C 69 32.130 32.130 32.507 -0.377 19382 6658 1 16 . 1 1 69 69 MET H H 69 8.203 8.203 7.956 0.247 19382 6659 1 16 . 1 1 70 70 ASN N N 70 116.507 116.507 118.194 -1.687 19382 6660 1 16 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.627 -0.168 19382 6661 1 16 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.517 2.456 19382 6662 1 16 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.200 0.572 19382 6663 1 16 . 1 1 70 70 ASN H H 70 7.724 7.724 7.671 0.053 19382 6664 1 16 . 1 1 71 71 GLY N N 71 117.038 117.038 113.604 3.434 19382 6665 1 16 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.141 0.805 19382 6666 1 16 . 1 1 71 71 GLY H H 71 9.065 9.065 8.658 0.407 19382 6667 1 16 . 1 1 72 72 LYS N N 72 120.950 120.950 119.245 1.705 19382 6668 1 16 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.674 -0.239 19382 6669 1 16 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.401 1.023 19382 6670 1 16 . 1 1 72 72 LYS CB C 72 33.056 33.056 34.889 -1.833 19382 6671 1 16 . 1 1 72 72 LYS H H 72 7.949 7.949 7.562 0.387 19382 6672 1 16 . 1 1 73 73 SER N N 73 112.847 112.847 114.940 -2.093 19382 6673 1 16 . 1 1 73 73 SER HA H 73 5.076 5.076 5.009 0.067 19382 6674 1 16 . 1 1 73 73 SER CA C 73 57.821 57.821 56.829 0.992 19382 6675 1 16 . 1 1 73 73 SER CB C 73 64.481 64.481 64.523 -0.042 19382 6676 1 16 . 1 1 73 73 SER H H 73 8.078 8.078 8.396 -0.318 19382 6677 1 16 . 1 1 74 74 LEU N N 74 127.515 127.515 125.485 2.030 19382 6678 1 16 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.695 -0.104 19382 6679 1 16 . 1 1 74 74 LEU CA C 74 54.810 54.810 53.637 1.173 19382 6680 1 16 . 1 1 74 74 LEU CB C 74 44.722 44.722 44.670 0.052 19382 6681 1 16 . 1 1 74 74 LEU H H 74 9.069 9.069 8.844 0.225 19382 6682 1 16 . 1 1 75 75 ASP N N 75 128.803 128.803 124.414 4.389 19382 6683 1 16 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.243 0.098 19382 6684 1 16 . 1 1 75 75 ASP CA C 75 55.686 55.686 56.287 -0.601 19382 6685 1 16 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.888 -1.459 19382 6686 1 16 . 1 1 75 75 ASP H H 75 9.565 9.565 9.183 0.382 19382 6687 1 16 . 1 1 76 76 GLY N N 76 101.959 101.959 104.557 -2.598 19382 6688 1 16 . 1 1 76 76 GLY CA C 76 45.659 45.659 45.016 0.643 19382 6689 1 16 . 1 1 76 76 GLY H H 76 8.447 8.447 8.193 0.254 19382 6690 1 16 . 1 1 77 77 LYS N N 77 120.026 120.026 121.769 -1.743 19382 6691 1 16 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.766 -0.054 19382 6692 1 16 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.340 0.562 19382 6693 1 16 . 1 1 77 77 LYS H H 77 7.417 7.417 7.998 -0.581 19382 6694 1 16 . 1 1 78 78 ALA N N 78 125.190 125.190 126.061 -0.871 19382 6695 1 16 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.294 0.243 19382 6696 1 16 . 1 1 78 78 ALA CA C 78 51.602 51.602 52.305 -0.703 19382 6697 1 16 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.147 -0.919 19382 6698 1 16 . 1 1 78 78 ALA H H 78 8.304 8.304 8.717 -0.413 19382 6699 1 16 . 1 1 79 79 ILE N N 79 119.566 119.566 115.379 4.187 19382 6700 1 16 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.143 -0.300 19382 6701 1 16 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.853 1.924 19382 6702 1 16 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.342 -1.788 19382 6703 1 16 . 1 1 79 79 ILE H H 79 8.293 8.293 8.876 -0.583 19382 6704 1 16 . 1 1 80 80 LYS N N 80 123.948 123.948 121.123 2.825 19382 6705 1 16 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.006 -0.003 19382 6706 1 16 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.277 0.051 19382 6707 1 16 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.285 -1.315 19382 6708 1 16 . 1 1 80 80 LYS H H 80 8.552 8.552 8.811 -0.259 19382 6709 1 16 . 1 1 81 81 VAL N N 81 123.950 123.950 124.255 -0.305 19382 6710 1 16 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.233 0.067 19382 6711 1 16 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.750 0.273 19382 6712 1 16 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.887 -0.186 19382 6713 1 16 . 1 1 81 81 VAL H H 81 8.753 8.753 8.011 0.742 19382 6714 1 16 . 1 1 82 82 GLU N N 82 123.264 123.264 123.888 -0.624 19382 6715 1 16 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.665 0.088 19382 6716 1 16 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.602 1.371 19382 6717 1 16 . 1 1 82 82 GLU H H 82 9.060 9.060 8.371 0.689 19382 6718 1 16 . 1 1 83 83 GLN N N 83 121.972 121.972 122.503 -0.531 19382 6719 1 16 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.545 -0.207 19382 6720 1 16 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.663 0.701 19382 6721 1 16 . 1 1 83 83 GLN CB C 83 28.986 28.986 28.911 0.075 19382 6722 1 16 . 1 1 83 83 GLN H H 83 8.790 8.790 8.456 0.334 19382 6723 1 16 . 1 1 84 84 ALA N N 84 129.351 129.351 129.629 -0.278 19382 6724 1 16 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.608 0.668 19382 6725 1 16 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.186 0.676 19382 6726 1 16 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.361 -0.600 19382 6727 1 16 . 1 1 84 84 ALA H H 84 9.051 9.051 8.732 0.319 19382 6728 1 16 . 1 1 85 85 THR HA H 85 4.767 4.767 4.935 -0.168 19382 6729 1 16 . 1 1 85 85 THR CB C 85 70.557 70.557 71.646 -1.089 19382 6730 1 16 . 1 1 86 86 LYS N N 86 120.733 120.733 121.558 -0.825 19382 6731 1 16 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.275 0.185 19382 6732 1 16 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.597 0.716 19382 6733 1 16 . 1 1 86 86 LYS H H 86 8.517 8.517 8.194 0.323 19382 6734 1 16 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.324 0.109 19382 6735 1 16 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.657 0.439 19382 6736 1 16 . 1 1 87 87 PRO CB C 87 32.118 32.118 31.851 0.267 19382 6737 1 16 . 1 1 88 88 SER N N 88 117.293 117.293 115.522 1.771 19382 6738 1 16 . 1 1 88 88 SER HA H 88 4.262 4.262 4.315 -0.053 19382 6739 1 16 . 1 1 88 88 SER CA C 88 59.204 59.204 59.551 -0.347 19382 6740 1 16 . 1 1 88 88 SER CB C 88 63.891 63.891 63.251 0.640 19382 6741 1 16 . 1 1 88 88 SER H H 88 8.508 8.508 8.397 0.111 19382 6742 1 16 . 1 1 89 89 PHE N N 89 120.710 120.710 118.109 2.601 19382 6743 1 16 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.884 -0.241 19382 6744 1 16 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.292 1.177 19382 6745 1 16 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.675 0.565 19382 6746 1 16 . 1 1 89 89 PHE H H 89 7.930 7.930 7.319 0.611 19382 6747 1 16 . 1 1 90 90 GLU N N 90 121.794 121.794 119.823 1.971 19382 6748 1 16 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.672 -0.385 19382 6749 1 16 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.466 1.235 19382 6750 1 16 . 1 1 90 90 GLU CB C 90 30.383 30.383 32.726 -2.343 19382 6751 1 16 . 1 1 90 90 GLU H H 90 8.099 8.099 7.429 0.670 19382 6752 1 16 . 1 1 91 91 SER N N 91 116.607 116.607 115.854 0.753 19382 6753 1 16 . 1 1 91 91 SER HA H 91 4.419 4.419 4.791 -0.372 19382 6754 1 16 . 1 1 91 91 SER CA C 91 59.090 59.090 56.509 2.581 19382 6755 1 16 . 1 1 91 91 SER CB C 91 64.011 64.011 64.990 -0.979 19382 6756 1 16 . 1 1 91 91 SER H H 91 8.194 8.194 8.310 -0.116 19382 6757 1 16 . 1 1 92 92 GLY N N 92 110.531 110.531 108.502 2.029 19382 6758 1 16 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.361 0.132 19382 6759 1 16 . 1 1 92 92 GLY H H 92 8.395 8.395 8.725 -0.330 19382 6760 1 16 . 1 1 93 93 ARG N N 93 120.515 120.515 118.936 1.579 19382 6761 1 16 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.389 0.009 19382 6762 1 16 . 1 1 93 93 ARG CA C 93 56.203 56.203 55.114 1.089 19382 6763 1 16 . 1 1 93 93 ARG CB C 93 31.056 31.056 31.882 -0.826 19382 6764 1 16 . 1 1 93 93 ARG H H 93 8.046 8.046 7.209 0.837 19382 6765 1 16 . 1 1 94 94 ARG N N 94 123.050 123.050 120.600 2.450 19382 6766 1 16 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.131 0.277 19382 6767 1 16 . 1 1 94 94 ARG CB C 94 31.051 31.051 28.558 2.493 19382 6768 1 16 . 1 1 94 94 ARG H H 94 8.403 8.403 8.833 -0.430 19382 6769 1 17 . 1 1 2 2 VAL N N 2 120.711 120.711 123.904 -3.193 19382 6770 1 17 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.392 -0.152 19382 6771 1 17 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.248 -0.416 19382 6772 1 17 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.585 0.736 19382 6773 1 17 . 1 1 2 2 VAL H H 2 8.063 8.063 8.282 -0.219 19382 6774 1 17 . 1 1 3 3 GLU N N 3 124.381 124.381 121.922 2.459 19382 6775 1 17 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.372 0.060 19382 6776 1 17 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.925 -0.265 19382 6777 1 17 . 1 1 3 3 GLU CB C 3 31.558 31.558 30.880 0.678 19382 6778 1 17 . 1 1 3 3 GLU H H 3 8.589 8.589 7.485 1.104 19382 6779 1 17 . 1 1 4 4 ALA N N 4 124.910 124.910 126.393 -1.483 19382 6780 1 17 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.573 -0.289 19382 6781 1 17 . 1 1 4 4 ALA CA C 4 53.537 53.537 50.930 2.607 19382 6782 1 17 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.060 -0.525 19382 6783 1 17 . 1 1 4 4 ALA H H 4 8.442 8.442 8.137 0.305 19382 6784 1 17 . 1 1 5 5 ASP N N 5 119.622 119.622 123.906 -4.284 19382 6785 1 17 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.519 0.124 19382 6786 1 17 . 1 1 5 5 ASP CB C 5 42.674 42.674 42.377 0.297 19382 6787 1 17 . 1 1 5 5 ASP H H 5 8.363 8.363 8.411 -0.048 19382 6788 1 17 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.116 0.535 19382 6789 1 17 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.794 0.271 19382 6790 1 17 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.891 0.033 19382 6791 1 17 . 1 1 8 8 GLY N N 8 110.020 110.020 107.753 2.267 19382 6792 1 17 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.034 0.339 19382 6793 1 17 . 1 1 8 8 GLY H H 8 8.879 8.879 8.534 0.345 19382 6794 1 17 . 1 1 9 9 LYS N N 9 121.894 121.894 123.480 -1.586 19382 6795 1 17 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.456 -0.319 19382 6796 1 17 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.203 0.826 19382 6797 1 17 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.388 0.800 19382 6798 1 17 . 1 1 9 9 LYS H H 9 8.011 8.011 7.587 0.424 19382 6799 1 17 . 1 1 10 10 LEU N N 10 127.289 127.289 126.293 0.996 19382 6800 1 17 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.272 -0.292 19382 6801 1 17 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.169 0.326 19382 6802 1 17 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.647 -1.153 19382 6803 1 17 . 1 1 10 10 LEU H H 10 9.536 9.536 9.048 0.488 19382 6804 1 17 . 1 1 11 11 PHE N N 11 123.068 123.068 122.967 0.101 19382 6805 1 17 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.792 -0.374 19382 6806 1 17 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.646 1.522 19382 6807 1 17 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.230 -1.024 19382 6808 1 17 . 1 1 11 11 PHE H H 11 9.386 9.386 9.308 0.078 19382 6809 1 17 . 1 1 12 12 ILE N N 12 127.476 127.476 127.086 0.390 19382 6810 1 17 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.690 0.123 19382 6811 1 17 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.632 2.159 19382 6812 1 17 . 1 1 12 12 ILE H H 12 7.949 7.949 8.120 -0.171 19382 6813 1 17 . 1 1 13 13 GLY N N 13 110.661 110.661 110.366 0.295 19382 6814 1 17 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.405 0.345 19382 6815 1 17 . 1 1 13 13 GLY H H 13 8.939 8.939 7.514 1.425 19382 6816 1 17 . 1 1 14 14 GLY N N 14 107.213 107.213 111.765 -4.552 19382 6817 1 17 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.795 0.981 19382 6818 1 17 . 1 1 14 14 GLY H H 14 8.126 8.126 8.714 -0.588 19382 6819 1 17 . 1 1 15 15 LEU N N 15 115.288 115.288 119.399 -4.111 19382 6820 1 17 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.151 -0.094 19382 6821 1 17 . 1 1 15 15 LEU CA C 15 54.639 54.639 54.916 -0.277 19382 6822 1 17 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.280 1.015 19382 6823 1 17 . 1 1 15 15 LEU H H 15 7.621 7.621 7.899 -0.278 19382 6824 1 17 . 1 1 16 16 ASN N N 16 120.674 120.674 117.705 2.969 19382 6825 1 17 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.696 -0.123 19382 6826 1 17 . 1 1 16 16 ASN CB C 16 38.631 38.631 40.252 -1.621 19382 6827 1 17 . 1 1 16 16 ASN H H 16 9.597 9.597 8.374 1.223 19382 6828 1 17 . 1 1 17 17 THR N N 17 122.538 122.538 110.238 12.300 19382 6829 1 17 . 1 1 17 17 THR HA H 17 3.900 3.900 4.131 -0.231 19382 6830 1 17 . 1 1 17 17 THR CA C 17 65.542 65.542 64.145 1.397 19382 6831 1 17 . 1 1 17 17 THR CB C 17 68.594 68.594 69.255 -0.661 19382 6832 1 17 . 1 1 17 17 THR H H 17 8.807 8.807 8.510 0.297 19382 6833 1 17 . 1 1 18 18 GLU N N 18 118.149 118.149 118.414 -0.265 19382 6834 1 17 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.458 -0.097 19382 6835 1 17 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.993 0.420 19382 6836 1 17 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.262 0.652 19382 6837 1 17 . 1 1 18 18 GLU H H 18 8.757 8.757 8.487 0.270 19382 6838 1 17 . 1 1 19 19 THR N N 19 119.146 119.146 118.229 0.917 19382 6839 1 17 . 1 1 19 19 THR HA H 19 4.088 4.088 4.223 -0.135 19382 6840 1 17 . 1 1 19 19 THR CA C 19 64.959 64.959 63.984 0.975 19382 6841 1 17 . 1 1 19 19 THR CB C 19 68.536 68.536 69.766 -1.230 19382 6842 1 17 . 1 1 19 19 THR H H 19 7.627 7.627 7.385 0.242 19382 6843 1 17 . 1 1 20 20 ASN N N 20 126.361 126.361 122.328 4.033 19382 6844 1 17 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.887 0.029 19382 6845 1 17 . 1 1 20 20 ASN CA C 20 50.998 50.998 52.037 -1.039 19382 6846 1 17 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.101 -0.747 19382 6847 1 17 . 1 1 20 20 ASN H H 20 8.076 8.076 8.453 -0.377 19382 6848 1 17 . 1 1 21 21 GLU N N 21 118.317 118.317 121.192 -2.875 19382 6849 1 17 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.070 -0.349 19382 6850 1 17 . 1 1 21 21 GLU CA C 21 61.820 61.820 59.971 1.849 19382 6851 1 17 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.498 -0.627 19382 6852 1 17 . 1 1 21 21 GLU H H 21 10.233 10.233 8.737 1.496 19382 6853 1 17 . 1 1 22 22 LYS N N 22 118.930 118.930 118.988 -0.058 19382 6854 1 17 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.103 0.061 19382 6855 1 17 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.986 -0.191 19382 6856 1 17 . 1 1 22 22 LYS CB C 22 31.727 31.727 32.167 -0.440 19382 6857 1 17 . 1 1 22 22 LYS H H 22 7.920 7.920 8.399 -0.479 19382 6858 1 17 . 1 1 23 23 ALA N N 23 123.201 123.201 120.528 2.673 19382 6859 1 17 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.293 0.030 19382 6860 1 17 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.267 0.754 19382 6861 1 17 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.561 0.463 19382 6862 1 17 . 1 1 23 23 ALA H H 23 7.915 7.915 7.418 0.497 19382 6863 1 17 . 1 1 24 24 LEU N N 24 116.213 116.213 119.045 -2.832 19382 6864 1 17 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.310 -0.143 19382 6865 1 17 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.436 0.659 19382 6866 1 17 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.426 0.032 19382 6867 1 17 . 1 1 24 24 LEU H H 24 7.760 7.760 7.574 0.186 19382 6868 1 17 . 1 1 25 25 GLU N N 25 119.637 119.637 118.791 0.846 19382 6869 1 17 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.062 -0.299 19382 6870 1 17 . 1 1 25 25 GLU CA C 25 60.215 60.215 59.022 1.193 19382 6871 1 17 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.694 0.155 19382 6872 1 17 . 1 1 25 25 GLU H H 25 8.545 8.545 8.587 -0.042 19382 6873 1 17 . 1 1 26 26 ALA N N 26 121.001 121.001 120.814 0.187 19382 6874 1 17 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.226 -0.028 19382 6875 1 17 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.286 0.795 19382 6876 1 17 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.866 -0.447 19382 6877 1 17 . 1 1 26 26 ALA H H 26 7.975 7.975 7.535 0.440 19382 6878 1 17 . 1 1 27 27 VAL N N 27 115.732 115.732 116.193 -0.461 19382 6879 1 17 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.955 -0.012 19382 6880 1 17 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.013 1.234 19382 6881 1 17 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.759 -0.005 19382 6882 1 17 . 1 1 27 27 VAL H H 27 7.817 7.817 7.619 0.198 19382 6883 1 17 . 1 1 28 28 PHE N N 28 115.329 115.329 118.161 -2.832 19382 6884 1 17 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.992 -0.350 19382 6885 1 17 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.461 3.241 19382 6886 1 17 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.257 -0.973 19382 6887 1 17 . 1 1 28 28 PHE H H 28 8.607 8.607 7.796 0.811 19382 6888 1 17 . 1 1 29 29 GLY N N 29 108.306 108.306 107.282 1.024 19382 6889 1 17 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.653 0.752 19382 6890 1 17 . 1 1 29 29 GLY H H 29 8.425 8.425 7.796 0.629 19382 6891 1 17 . 1 1 30 30 LYS N N 30 117.374 117.374 118.919 -1.545 19382 6892 1 17 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.063 0.033 19382 6893 1 17 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.483 0.410 19382 6894 1 17 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.809 0.187 19382 6895 1 17 . 1 1 30 30 LYS H H 30 6.970 6.970 7.608 -0.638 19382 6896 1 17 . 1 1 31 31 TYR N N 31 115.689 115.689 116.928 -1.239 19382 6897 1 17 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.790 -0.495 19382 6898 1 17 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.619 1.194 19382 6899 1 17 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.866 -2.073 19382 6900 1 17 . 1 1 31 31 TYR H H 31 7.741 7.741 7.598 0.143 19382 6901 1 17 . 1 1 32 32 GLY N N 32 104.475 104.475 104.532 -0.057 19382 6902 1 17 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.456 -0.860 19382 6903 1 17 . 1 1 32 32 GLY H H 32 7.401 7.401 7.500 -0.099 19382 6904 1 17 . 1 1 33 33 ARG N N 33 116.936 116.936 120.959 -4.023 19382 6905 1 17 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.434 -0.152 19382 6906 1 17 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.924 1.979 19382 6907 1 17 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.108 -0.354 19382 6908 1 17 . 1 1 33 33 ARG H H 33 8.286 8.286 8.490 -0.204 19382 6909 1 17 . 1 1 34 34 ILE N N 34 128.703 128.703 126.356 2.347 19382 6910 1 17 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.964 0.064 19382 6911 1 17 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.560 -1.710 19382 6912 1 17 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.634 1.303 19382 6913 1 17 . 1 1 34 34 ILE H H 34 8.797 8.797 8.463 0.334 19382 6914 1 17 . 1 1 35 35 VAL N N 35 122.207 122.207 122.833 -0.626 19382 6915 1 17 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.304 -0.027 19382 6916 1 17 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.563 -0.175 19382 6917 1 17 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.994 0.060 19382 6918 1 17 . 1 1 35 35 VAL H H 35 8.859 8.859 8.949 -0.090 19382 6919 1 17 . 1 1 36 36 GLU N N 36 118.922 118.922 119.158 -0.236 19382 6920 1 17 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.530 0.005 19382 6921 1 17 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.986 0.858 19382 6922 1 17 . 1 1 36 36 GLU CB C 36 34.132 34.132 32.925 1.207 19382 6923 1 17 . 1 1 36 36 GLU H H 36 7.228 7.228 7.649 -0.421 19382 6924 1 17 . 1 1 37 37 VAL N N 37 126.068 126.068 122.974 3.094 19382 6925 1 17 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.393 0.027 19382 6926 1 17 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.364 1.046 19382 6927 1 17 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.963 -1.055 19382 6928 1 17 . 1 1 37 37 VAL H H 37 8.607 8.607 8.542 0.065 19382 6929 1 17 . 1 1 38 38 LEU N N 38 129.638 129.638 125.508 4.130 19382 6930 1 17 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.841 -0.049 19382 6931 1 17 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.655 -0.260 19382 6932 1 17 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.797 -1.259 19382 6933 1 17 . 1 1 38 38 LEU H H 38 9.052 9.052 9.020 0.032 19382 6934 1 17 . 1 1 39 39 LEU N N 39 128.599 128.599 123.187 5.412 19382 6935 1 17 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.518 -0.118 19382 6936 1 17 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.382 -0.385 19382 6937 1 17 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.583 -0.351 19382 6938 1 17 . 1 1 39 39 LEU H H 39 9.030 9.030 8.362 0.668 19382 6939 1 17 . 1 1 40 40 MET N N 40 125.937 125.937 124.930 1.007 19382 6940 1 17 . 1 1 40 40 MET HA H 40 4.595 4.595 4.765 -0.170 19382 6941 1 17 . 1 1 40 40 MET CA C 40 54.617 54.617 53.273 1.344 19382 6942 1 17 . 1 1 40 40 MET CB C 40 29.778 29.778 32.676 -2.898 19382 6943 1 17 . 1 1 40 40 MET H H 40 7.848 7.848 8.300 -0.452 19382 6944 1 17 . 1 1 41 41 LYS N N 41 122.049 122.049 121.404 0.645 19382 6945 1 17 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.520 0.391 19382 6946 1 17 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.680 0.028 19382 6947 1 17 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.584 0.758 19382 6948 1 17 . 1 1 41 41 LYS H H 41 8.444 8.444 8.133 0.311 19382 6949 1 17 . 1 1 42 42 ASP N N 42 123.896 123.896 120.906 2.990 19382 6950 1 17 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.605 0.080 19382 6951 1 17 . 1 1 42 42 ASP CB C 42 43.050 43.050 42.176 0.874 19382 6952 1 17 . 1 1 42 42 ASP H H 42 8.864 8.864 8.688 0.176 19382 6953 1 17 . 1 1 43 43 ARG N N 43 126.892 126.892 123.735 3.157 19382 6954 1 17 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.287 -0.132 19382 6955 1 17 . 1 1 43 43 ARG CA C 43 58.790 58.790 56.870 1.920 19382 6956 1 17 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.545 -0.215 19382 6957 1 17 . 1 1 43 43 ARG H H 43 8.983 8.983 8.583 0.400 19382 6958 1 17 . 1 1 44 44 GLU N N 44 117.468 117.468 117.359 0.109 19382 6959 1 17 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.504 -0.133 19382 6960 1 17 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.010 1.673 19382 6961 1 17 . 1 1 44 44 GLU CB C 44 30.160 30.160 32.023 -1.863 19382 6962 1 17 . 1 1 44 44 GLU H H 44 8.687 8.687 9.076 -0.389 19382 6963 1 17 . 1 1 45 45 THR N N 45 107.088 107.088 110.345 -3.257 19382 6964 1 17 . 1 1 45 45 THR HA H 45 4.447 4.447 4.462 -0.015 19382 6965 1 17 . 1 1 45 45 THR CA C 45 61.838 61.838 61.656 0.182 19382 6966 1 17 . 1 1 45 45 THR CB C 45 71.163 71.163 70.661 0.502 19382 6967 1 17 . 1 1 45 45 THR H H 45 8.172 8.172 7.868 0.304 19382 6968 1 17 . 1 1 46 46 ASN N N 46 117.525 117.525 117.872 -0.347 19382 6969 1 17 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.373 0.123 19382 6970 1 17 . 1 1 46 46 ASN CA C 46 55.027 55.027 55.154 -0.127 19382 6971 1 17 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.316 1.224 19382 6972 1 17 . 1 1 46 46 ASN H H 46 8.389 8.389 7.987 0.402 19382 6973 1 17 . 1 1 47 47 LYS N N 47 117.695 117.695 117.954 -0.259 19382 6974 1 17 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.261 0.196 19382 6975 1 17 . 1 1 47 47 LYS CA C 47 55.547 55.547 57.004 -1.457 19382 6976 1 17 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.616 0.452 19382 6977 1 17 . 1 1 47 47 LYS H H 47 7.649 7.649 7.575 0.074 19382 6978 1 17 . 1 1 48 48 SER N N 48 116.260 116.260 110.823 5.437 19382 6979 1 17 . 1 1 48 48 SER HA H 48 4.384 4.384 4.721 -0.337 19382 6980 1 17 . 1 1 48 48 SER CA C 48 58.462 58.462 56.504 1.958 19382 6981 1 17 . 1 1 48 48 SER CB C 48 64.621 64.621 64.866 -0.245 19382 6982 1 17 . 1 1 48 48 SER H H 48 8.787 8.787 8.199 0.588 19382 6983 1 17 . 1 1 49 49 ARG N N 49 124.026 124.026 125.283 -1.257 19382 6984 1 17 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.381 0.078 19382 6985 1 17 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.271 0.470 19382 6986 1 17 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.307 1.593 19382 6987 1 17 . 1 1 49 49 ARG H H 49 9.079 9.079 8.681 0.398 19382 6988 1 17 . 1 1 50 50 GLY N N 50 106.539 106.539 106.914 -0.375 19382 6989 1 17 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.779 0.069 19382 6990 1 17 . 1 1 50 50 GLY H H 50 9.178 9.178 8.148 1.030 19382 6991 1 17 . 1 1 51 51 PHE N N 51 112.056 112.056 114.850 -2.794 19382 6992 1 17 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.636 -0.340 19382 6993 1 17 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.004 1.109 19382 6994 1 17 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.717 -0.315 19382 6995 1 17 . 1 1 51 51 PHE H H 51 7.004 7.004 7.163 -0.159 19382 6996 1 17 . 1 1 52 52 ALA N N 52 120.974 120.974 120.042 0.932 19382 6997 1 17 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.910 -0.071 19382 6998 1 17 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.080 -1.414 19382 6999 1 17 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.025 3.567 19382 7000 1 17 . 1 1 52 52 ALA H H 52 8.832 8.832 7.661 1.171 19382 7001 1 17 . 1 1 53 53 PHE N N 53 113.680 113.680 115.072 -1.392 19382 7002 1 17 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.703 -0.030 19382 7003 1 17 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.694 -0.554 19382 7004 1 17 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.284 -1.623 19382 7005 1 17 . 1 1 53 53 PHE H H 53 8.710 8.710 7.971 0.739 19382 7006 1 17 . 1 1 54 54 VAL N N 54 124.889 124.889 119.835 5.054 19382 7007 1 17 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.666 0.014 19382 7008 1 17 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.784 -0.441 19382 7009 1 17 . 1 1 54 54 VAL H H 54 8.800 8.800 8.494 0.306 19382 7010 1 17 . 1 1 55 55 THR N N 55 123.052 123.052 125.341 -2.289 19382 7011 1 17 . 1 1 55 55 THR HA H 55 5.159 5.159 5.359 -0.200 19382 7012 1 17 . 1 1 55 55 THR CA C 55 61.912 61.912 61.540 0.372 19382 7013 1 17 . 1 1 55 55 THR CB C 55 69.698 69.698 69.828 -0.130 19382 7014 1 17 . 1 1 55 55 THR H H 55 8.943 8.943 8.970 -0.027 19382 7015 1 17 . 1 1 56 56 PHE N N 56 128.514 128.514 125.890 2.624 19382 7016 1 17 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.847 -0.032 19382 7017 1 17 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.080 1.214 19382 7018 1 17 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.339 0.327 19382 7019 1 17 . 1 1 56 56 PHE H H 56 8.917 8.917 9.408 -0.491 19382 7020 1 17 . 1 1 57 57 GLU N N 57 121.809 121.809 121.534 0.275 19382 7021 1 17 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.206 -0.254 19382 7022 1 17 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.702 0.800 19382 7023 1 17 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.410 0.141 19382 7024 1 17 . 1 1 57 57 GLU H H 57 8.240 8.240 8.809 -0.569 19382 7025 1 17 . 1 1 58 58 SER N N 58 112.478 112.478 112.662 -0.184 19382 7026 1 17 . 1 1 58 58 SER HA H 58 5.333 5.333 4.988 0.345 19382 7027 1 17 . 1 1 58 58 SER CA C 58 53.261 53.261 54.130 -0.869 19382 7028 1 17 . 1 1 58 58 SER CB C 58 64.505 64.505 64.758 -0.254 19382 7029 1 17 . 1 1 58 58 SER H H 58 9.461 9.461 7.663 1.798 19382 7030 1 17 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.515 -0.367 19382 7031 1 17 . 1 1 59 59 PRO CA C 59 65.069 65.069 63.836 1.233 19382 7032 1 17 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.916 0.486 19382 7033 1 17 . 1 1 60 60 ALA N N 60 120.882 120.882 121.043 -0.161 19382 7034 1 17 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.451 -0.353 19382 7035 1 17 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.917 2.438 19382 7036 1 17 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.771 -1.358 19382 7037 1 17 . 1 1 60 60 ALA H H 60 7.957 7.957 7.605 0.352 19382 7038 1 17 . 1 1 61 61 ASP N N 61 120.196 120.196 120.589 -0.393 19382 7039 1 17 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.489 -0.185 19382 7040 1 17 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.082 -0.110 19382 7041 1 17 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.545 -0.257 19382 7042 1 17 . 1 1 61 61 ASP H H 61 7.157 7.157 7.720 -0.563 19382 7043 1 17 . 1 1 62 62 ALA N N 62 119.636 119.636 121.110 -1.474 19382 7044 1 17 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.570 0.697 19382 7045 1 17 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.340 0.027 19382 7046 1 17 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.134 0.871 19382 7047 1 17 . 1 1 62 62 ALA H H 62 6.901 6.901 7.262 -0.361 19382 7048 1 17 . 1 1 63 63 LYS N N 63 117.322 117.322 117.849 -0.527 19382 7049 1 17 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.875 0.100 19382 7050 1 17 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.527 0.111 19382 7051 1 17 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.031 0.015 19382 7052 1 17 . 1 1 63 63 LYS H H 63 7.605 7.605 7.878 -0.273 19382 7053 1 17 . 1 1 64 64 ASP N N 64 120.944 120.944 117.945 2.999 19382 7054 1 17 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.394 -0.030 19382 7055 1 17 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.464 1.031 19382 7056 1 17 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.954 -0.450 19382 7057 1 17 . 1 1 64 64 ASP H H 64 7.488 7.488 7.891 -0.403 19382 7058 1 17 . 1 1 65 65 ALA N N 65 122.197 122.197 120.145 2.052 19382 7059 1 17 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.889 -0.536 19382 7060 1 17 . 1 1 65 65 ALA CA C 65 54.483 54.483 53.952 0.531 19382 7061 1 17 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.190 0.662 19382 7062 1 17 . 1 1 65 65 ALA H H 65 7.806 7.806 7.099 0.707 19382 7063 1 17 . 1 1 66 66 ALA N N 66 118.722 118.722 118.969 -0.247 19382 7064 1 17 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.143 -0.284 19382 7065 1 17 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.601 1.780 19382 7066 1 17 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.586 -0.772 19382 7067 1 17 . 1 1 66 66 ALA H H 66 8.247 8.247 7.809 0.438 19382 7068 1 17 . 1 1 67 67 ARG N N 67 116.529 116.529 115.184 1.345 19382 7069 1 17 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.400 -0.294 19382 7070 1 17 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.292 2.642 19382 7071 1 17 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.287 -0.135 19382 7072 1 17 . 1 1 67 67 ARG H H 67 7.803 7.803 7.675 0.128 19382 7073 1 17 . 1 1 68 68 ASP N N 68 116.394 116.394 118.885 -2.491 19382 7074 1 17 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.742 -0.010 19382 7075 1 17 . 1 1 68 68 ASP CB C 68 42.683 42.683 43.164 -0.481 19382 7076 1 17 . 1 1 68 68 ASP H H 68 7.800 7.800 7.972 -0.172 19382 7077 1 17 . 1 1 69 69 MET N N 69 111.832 111.832 117.125 -5.293 19382 7078 1 17 . 1 1 69 69 MET HA H 69 4.902 4.902 4.413 0.489 19382 7079 1 17 . 1 1 69 69 MET CA C 69 53.703 53.703 54.904 -1.201 19382 7080 1 17 . 1 1 69 69 MET CB C 69 32.130 32.130 32.107 0.023 19382 7081 1 17 . 1 1 69 69 MET H H 69 8.203 8.203 8.035 0.168 19382 7082 1 17 . 1 1 70 70 ASN N N 70 116.507 116.507 117.561 -1.054 19382 7083 1 17 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.574 -0.115 19382 7084 1 17 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.053 2.921 19382 7085 1 17 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.772 0.000 19382 7086 1 17 . 1 1 70 70 ASN H H 70 7.724 7.724 7.617 0.107 19382 7087 1 17 . 1 1 71 71 GLY N N 71 117.038 117.038 113.422 3.616 19382 7088 1 17 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.870 0.075 19382 7089 1 17 . 1 1 71 71 GLY H H 71 9.065 9.065 8.259 0.806 19382 7090 1 17 . 1 1 72 72 LYS N N 72 120.950 120.950 120.580 0.370 19382 7091 1 17 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.566 -0.131 19382 7092 1 17 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.840 0.584 19382 7093 1 17 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.615 -0.559 19382 7094 1 17 . 1 1 72 72 LYS H H 72 7.949 7.949 7.575 0.374 19382 7095 1 17 . 1 1 73 73 SER N N 73 112.847 112.847 113.283 -0.436 19382 7096 1 17 . 1 1 73 73 SER HA H 73 5.076 5.076 5.126 -0.050 19382 7097 1 17 . 1 1 73 73 SER CA C 73 57.821 57.821 56.680 1.141 19382 7098 1 17 . 1 1 73 73 SER CB C 73 64.481 64.481 64.910 -0.429 19382 7099 1 17 . 1 1 73 73 SER H H 73 8.078 8.078 8.381 -0.303 19382 7100 1 17 . 1 1 74 74 LEU N N 74 127.515 127.515 123.944 3.571 19382 7101 1 17 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.708 -0.117 19382 7102 1 17 . 1 1 74 74 LEU CA C 74 54.810 54.810 53.817 0.993 19382 7103 1 17 . 1 1 74 74 LEU CB C 74 44.722 44.722 45.437 -0.715 19382 7104 1 17 . 1 1 74 74 LEU H H 74 9.069 9.069 8.919 0.150 19382 7105 1 17 . 1 1 75 75 ASP N N 75 128.803 128.803 125.814 2.989 19382 7106 1 17 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.281 0.060 19382 7107 1 17 . 1 1 75 75 ASP CA C 75 55.686 55.686 55.336 0.350 19382 7108 1 17 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.556 -1.127 19382 7109 1 17 . 1 1 75 75 ASP H H 75 9.565 9.565 9.202 0.363 19382 7110 1 17 . 1 1 76 76 GLY N N 76 101.959 101.959 103.196 -1.237 19382 7111 1 17 . 1 1 76 76 GLY CA C 76 45.659 45.659 44.978 0.681 19382 7112 1 17 . 1 1 76 76 GLY H H 76 8.447 8.447 8.360 0.087 19382 7113 1 17 . 1 1 77 77 LYS N N 77 120.026 120.026 121.884 -1.858 19382 7114 1 17 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.696 0.016 19382 7115 1 17 . 1 1 77 77 LYS CB C 77 34.902 34.902 33.920 0.982 19382 7116 1 17 . 1 1 77 77 LYS H H 77 7.417 7.417 8.041 -0.624 19382 7117 1 17 . 1 1 78 78 ALA N N 78 125.190 125.190 127.902 -2.712 19382 7118 1 17 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.830 -0.293 19382 7119 1 17 . 1 1 78 78 ALA CA C 78 51.602 51.602 52.086 -0.484 19382 7120 1 17 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.483 -1.255 19382 7121 1 17 . 1 1 78 78 ALA H H 78 8.304 8.304 8.742 -0.438 19382 7122 1 17 . 1 1 79 79 ILE N N 79 119.566 119.566 115.705 3.861 19382 7123 1 17 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.264 -0.421 19382 7124 1 17 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.749 2.027 19382 7125 1 17 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.204 -1.650 19382 7126 1 17 . 1 1 79 79 ILE H H 79 8.293 8.293 8.772 -0.479 19382 7127 1 17 . 1 1 80 80 LYS N N 80 123.948 123.948 120.413 3.535 19382 7128 1 17 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.051 -0.048 19382 7129 1 17 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.197 0.131 19382 7130 1 17 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.430 -1.460 19382 7131 1 17 . 1 1 80 80 LYS H H 80 8.552 8.552 8.654 -0.102 19382 7132 1 17 . 1 1 81 81 VAL N N 81 123.950 123.950 124.350 -0.400 19382 7133 1 17 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.231 0.069 19382 7134 1 17 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.987 0.036 19382 7135 1 17 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.581 0.120 19382 7136 1 17 . 1 1 81 81 VAL H H 81 8.753 8.753 8.730 0.023 19382 7137 1 17 . 1 1 82 82 GLU N N 82 123.264 123.264 124.180 -0.916 19382 7138 1 17 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.683 0.070 19382 7139 1 17 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.868 1.105 19382 7140 1 17 . 1 1 82 82 GLU H H 82 9.060 9.060 8.308 0.752 19382 7141 1 17 . 1 1 83 83 GLN N N 83 121.972 121.972 122.362 -0.390 19382 7142 1 17 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.505 -0.167 19382 7143 1 17 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.620 0.744 19382 7144 1 17 . 1 1 83 83 GLN CB C 83 28.986 28.986 28.953 0.034 19382 7145 1 17 . 1 1 83 83 GLN H H 83 8.790 8.790 8.510 0.280 19382 7146 1 17 . 1 1 84 84 ALA N N 84 129.351 129.351 130.182 -0.831 19382 7147 1 17 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.675 0.601 19382 7148 1 17 . 1 1 84 84 ALA CA C 84 52.862 52.862 51.888 0.974 19382 7149 1 17 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.945 -1.184 19382 7150 1 17 . 1 1 84 84 ALA H H 84 9.051 9.051 8.647 0.404 19382 7151 1 17 . 1 1 85 85 THR HA H 85 4.767 4.767 4.546 0.221 19382 7152 1 17 . 1 1 85 85 THR CB C 85 70.557 70.557 71.253 -0.696 19382 7153 1 17 . 1 1 86 86 LYS N N 86 120.733 120.733 121.065 -0.332 19382 7154 1 17 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.349 0.111 19382 7155 1 17 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.798 0.515 19382 7156 1 17 . 1 1 86 86 LYS H H 86 8.517 8.517 7.983 0.534 19382 7157 1 17 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.332 0.101 19382 7158 1 17 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.621 0.475 19382 7159 1 17 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.027 0.091 19382 7160 1 17 . 1 1 88 88 SER N N 88 117.293 117.293 115.312 1.981 19382 7161 1 17 . 1 1 88 88 SER HA H 88 4.262 4.262 4.212 0.050 19382 7162 1 17 . 1 1 88 88 SER CA C 88 59.204 59.204 59.393 -0.189 19382 7163 1 17 . 1 1 88 88 SER CB C 88 63.891 63.891 63.267 0.624 19382 7164 1 17 . 1 1 88 88 SER H H 88 8.508 8.508 8.486 0.022 19382 7165 1 17 . 1 1 89 89 PHE N N 89 120.710 120.710 116.870 3.840 19382 7166 1 17 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.786 -0.143 19382 7167 1 17 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.785 0.684 19382 7168 1 17 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.508 0.732 19382 7169 1 17 . 1 1 89 89 PHE H H 89 7.930 7.930 7.524 0.406 19382 7170 1 17 . 1 1 90 90 GLU N N 90 121.794 121.794 120.327 1.467 19382 7171 1 17 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.580 -0.293 19382 7172 1 17 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.725 0.976 19382 7173 1 17 . 1 1 90 90 GLU CB C 90 30.383 30.383 32.459 -2.076 19382 7174 1 17 . 1 1 90 90 GLU H H 90 8.099 8.099 7.387 0.712 19382 7175 1 17 . 1 1 91 91 SER N N 91 116.607 116.607 116.736 -0.129 19382 7176 1 17 . 1 1 91 91 SER HA H 91 4.419 4.419 4.868 -0.449 19382 7177 1 17 . 1 1 91 91 SER CA C 91 59.090 59.090 57.607 1.483 19382 7178 1 17 . 1 1 91 91 SER CB C 91 64.011 64.011 64.591 -0.580 19382 7179 1 17 . 1 1 91 91 SER H H 91 8.194 8.194 8.591 -0.397 19382 7180 1 17 . 1 1 92 92 GLY N N 92 110.531 110.531 109.656 0.875 19382 7181 1 17 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.008 0.485 19382 7182 1 17 . 1 1 92 92 GLY H H 92 8.395 8.395 7.975 0.420 19382 7183 1 17 . 1 1 93 93 ARG N N 93 120.515 120.515 119.740 0.775 19382 7184 1 17 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.056 0.342 19382 7185 1 17 . 1 1 93 93 ARG CA C 93 56.203 56.203 57.075 -0.872 19382 7186 1 17 . 1 1 93 93 ARG CB C 93 31.056 31.056 30.667 0.389 19382 7187 1 17 . 1 1 93 93 ARG H H 93 8.046 8.046 8.494 -0.448 19382 7188 1 17 . 1 1 94 94 ARG N N 94 123.050 123.050 122.284 0.766 19382 7189 1 17 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.527 -0.119 19382 7190 1 17 . 1 1 94 94 ARG CB C 94 31.051 31.051 32.016 -0.965 19382 7191 1 17 . 1 1 94 94 ARG H H 94 8.403 8.403 8.513 -0.110 19382 7192 1 18 . 1 1 2 2 VAL N N 2 120.711 120.711 123.506 -2.795 19382 7193 1 18 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.365 -0.125 19382 7194 1 18 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.087 -0.254 19382 7195 1 18 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.483 0.838 19382 7196 1 18 . 1 1 2 2 VAL H H 2 8.063 8.063 8.470 -0.407 19382 7197 1 18 . 1 1 3 3 GLU N N 3 124.381 124.381 123.214 1.167 19382 7198 1 18 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.308 0.124 19382 7199 1 18 . 1 1 3 3 GLU CA C 3 55.660 55.660 56.166 -0.506 19382 7200 1 18 . 1 1 3 3 GLU CB C 3 31.558 31.558 30.733 0.825 19382 7201 1 18 . 1 1 3 3 GLU H H 3 8.589 8.589 7.977 0.612 19382 7202 1 18 . 1 1 4 4 ALA N N 4 124.910 124.910 126.253 -1.343 19382 7203 1 18 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.603 -0.319 19382 7204 1 18 . 1 1 4 4 ALA CA C 4 53.537 53.537 51.142 2.395 19382 7205 1 18 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.601 -1.066 19382 7206 1 18 . 1 1 4 4 ALA H H 4 8.442 8.442 8.278 0.164 19382 7207 1 18 . 1 1 5 5 ASP N N 5 119.622 119.622 124.153 -4.531 19382 7208 1 18 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.562 0.081 19382 7209 1 18 . 1 1 5 5 ASP CB C 5 42.674 42.674 42.336 0.338 19382 7210 1 18 . 1 1 5 5 ASP H H 5 8.363 8.363 8.298 0.065 19382 7211 1 18 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.278 0.373 19382 7212 1 18 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.996 0.069 19382 7213 1 18 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.571 0.353 19382 7214 1 18 . 1 1 8 8 GLY N N 8 110.020 110.020 111.745 -1.725 19382 7215 1 18 . 1 1 8 8 GLY CA C 8 45.373 45.373 44.946 0.427 19382 7216 1 18 . 1 1 8 8 GLY H H 8 8.879 8.879 8.384 0.495 19382 7217 1 18 . 1 1 9 9 LYS N N 9 121.894 121.894 123.697 -1.803 19382 7218 1 18 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.346 -0.209 19382 7219 1 18 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.464 0.564 19382 7220 1 18 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.375 0.813 19382 7221 1 18 . 1 1 9 9 LYS H H 9 8.011 8.011 7.958 0.053 19382 7222 1 18 . 1 1 10 10 LEU N N 10 127.289 127.289 126.612 0.677 19382 7223 1 18 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.306 -0.326 19382 7224 1 18 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.159 0.335 19382 7225 1 18 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.522 -1.028 19382 7226 1 18 . 1 1 10 10 LEU H H 10 9.536 9.536 9.136 0.400 19382 7227 1 18 . 1 1 11 11 PHE N N 11 123.068 123.068 123.506 -0.438 19382 7228 1 18 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.791 -0.373 19382 7229 1 18 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.876 1.292 19382 7230 1 18 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.059 -0.853 19382 7231 1 18 . 1 1 11 11 PHE H H 11 9.386 9.386 9.356 0.030 19382 7232 1 18 . 1 1 12 12 ILE N N 12 127.476 127.476 127.152 0.324 19382 7233 1 18 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.713 0.100 19382 7234 1 18 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.507 2.284 19382 7235 1 18 . 1 1 12 12 ILE H H 12 7.949 7.949 8.088 -0.139 19382 7236 1 18 . 1 1 13 13 GLY N N 13 110.661 110.661 110.223 0.438 19382 7237 1 18 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.515 0.235 19382 7238 1 18 . 1 1 13 13 GLY H H 13 8.939 8.939 7.527 1.412 19382 7239 1 18 . 1 1 14 14 GLY N N 14 107.213 107.213 111.908 -4.695 19382 7240 1 18 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.810 0.966 19382 7241 1 18 . 1 1 14 14 GLY H H 14 8.126 8.126 8.705 -0.579 19382 7242 1 18 . 1 1 15 15 LEU N N 15 115.288 115.288 119.519 -4.231 19382 7243 1 18 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.207 -0.150 19382 7244 1 18 . 1 1 15 15 LEU CA C 15 54.639 54.639 54.776 -0.137 19382 7245 1 18 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.476 0.819 19382 7246 1 18 . 1 1 15 15 LEU H H 15 7.621 7.621 7.834 -0.213 19382 7247 1 18 . 1 1 16 16 ASN N N 16 120.674 120.674 117.921 2.753 19382 7248 1 18 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.712 -0.139 19382 7249 1 18 . 1 1 16 16 ASN CB C 16 38.631 38.631 39.931 -1.300 19382 7250 1 18 . 1 1 16 16 ASN H H 16 9.597 9.597 8.727 0.870 19382 7251 1 18 . 1 1 17 17 THR N N 17 122.538 122.538 112.235 10.303 19382 7252 1 18 . 1 1 17 17 THR HA H 17 3.900 3.900 4.181 -0.281 19382 7253 1 18 . 1 1 17 17 THR CA C 17 65.542 65.542 63.830 1.712 19382 7254 1 18 . 1 1 17 17 THR CB C 17 68.594 68.594 68.673 -0.079 19382 7255 1 18 . 1 1 17 17 THR H H 17 8.807 8.807 8.568 0.239 19382 7256 1 18 . 1 1 18 18 GLU N N 18 118.149 118.149 119.596 -1.447 19382 7257 1 18 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.477 -0.116 19382 7258 1 18 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.713 0.700 19382 7259 1 18 . 1 1 18 18 GLU CB C 18 29.914 29.914 30.077 -0.163 19382 7260 1 18 . 1 1 18 18 GLU H H 18 8.757 8.757 8.427 0.330 19382 7261 1 18 . 1 1 19 19 THR N N 19 119.146 119.146 117.649 1.497 19382 7262 1 18 . 1 1 19 19 THR HA H 19 4.088 4.088 4.181 -0.093 19382 7263 1 18 . 1 1 19 19 THR CA C 19 64.959 64.959 63.406 1.553 19382 7264 1 18 . 1 1 19 19 THR CB C 19 68.536 68.536 69.406 -0.870 19382 7265 1 18 . 1 1 19 19 THR H H 19 7.627 7.627 7.938 -0.311 19382 7266 1 18 . 1 1 20 20 ASN N N 20 126.361 126.361 121.544 4.817 19382 7267 1 18 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.868 0.048 19382 7268 1 18 . 1 1 20 20 ASN CA C 20 50.998 50.998 52.079 -1.081 19382 7269 1 18 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.111 -0.757 19382 7270 1 18 . 1 1 20 20 ASN H H 20 8.076 8.076 8.292 -0.216 19382 7271 1 18 . 1 1 21 21 GLU N N 21 118.317 118.317 121.307 -2.990 19382 7272 1 18 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.039 -0.318 19382 7273 1 18 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.055 1.765 19382 7274 1 18 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.576 -0.705 19382 7275 1 18 . 1 1 21 21 GLU H H 21 10.233 10.233 8.730 1.503 19382 7276 1 18 . 1 1 22 22 LYS N N 22 118.930 118.930 119.564 -0.634 19382 7277 1 18 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.109 0.055 19382 7278 1 18 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.765 0.030 19382 7279 1 18 . 1 1 22 22 LYS CB C 22 31.727 31.727 31.930 -0.203 19382 7280 1 18 . 1 1 22 22 LYS H H 22 7.920 7.920 8.354 -0.434 19382 7281 1 18 . 1 1 23 23 ALA N N 23 123.201 123.201 120.177 3.024 19382 7282 1 18 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.282 0.041 19382 7283 1 18 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.322 0.699 19382 7284 1 18 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.293 0.731 19382 7285 1 18 . 1 1 23 23 ALA H H 23 7.915 7.915 7.608 0.307 19382 7286 1 18 . 1 1 24 24 LEU N N 24 116.213 116.213 118.781 -2.568 19382 7287 1 18 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.314 -0.147 19382 7288 1 18 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.156 0.939 19382 7289 1 18 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.341 0.117 19382 7290 1 18 . 1 1 24 24 LEU H H 24 7.760 7.760 7.277 0.483 19382 7291 1 18 . 1 1 25 25 GLU N N 25 119.637 119.637 118.803 0.834 19382 7292 1 18 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.048 -0.285 19382 7293 1 18 . 1 1 25 25 GLU CA C 25 60.215 60.215 59.056 1.159 19382 7294 1 18 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.608 0.241 19382 7295 1 18 . 1 1 25 25 GLU H H 25 8.545 8.545 8.759 -0.214 19382 7296 1 18 . 1 1 26 26 ALA N N 26 121.001 121.001 120.434 0.567 19382 7297 1 18 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.247 -0.049 19382 7298 1 18 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.367 0.714 19382 7299 1 18 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.938 -0.519 19382 7300 1 18 . 1 1 26 26 ALA H H 26 7.975 7.975 7.489 0.486 19382 7301 1 18 . 1 1 27 27 VAL N N 27 115.732 115.732 116.272 -0.540 19382 7302 1 18 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.978 -0.035 19382 7303 1 18 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.334 0.913 19382 7304 1 18 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.896 -0.142 19382 7305 1 18 . 1 1 27 27 VAL H H 27 7.817 7.817 7.404 0.413 19382 7306 1 18 . 1 1 28 28 PHE N N 28 115.329 115.329 118.492 -3.163 19382 7307 1 18 . 1 1 28 28 PHE HA H 28 4.642 4.642 5.092 -0.450 19382 7308 1 18 . 1 1 28 28 PHE CA C 28 62.702 62.702 60.138 2.564 19382 7309 1 18 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.494 -1.210 19382 7310 1 18 . 1 1 28 28 PHE H H 28 8.607 8.607 7.889 0.718 19382 7311 1 18 . 1 1 29 29 GLY N N 29 108.306 108.306 107.219 1.087 19382 7312 1 18 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.656 0.749 19382 7313 1 18 . 1 1 29 29 GLY H H 29 8.425 8.425 7.770 0.655 19382 7314 1 18 . 1 1 30 30 LYS N N 30 117.374 117.374 118.836 -1.462 19382 7315 1 18 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.054 0.042 19382 7316 1 18 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.507 0.386 19382 7317 1 18 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.696 0.300 19382 7318 1 18 . 1 1 30 30 LYS H H 30 6.970 6.970 7.699 -0.729 19382 7319 1 18 . 1 1 31 31 TYR N N 31 115.689 115.689 116.757 -1.068 19382 7320 1 18 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.778 -0.483 19382 7321 1 18 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.206 1.607 19382 7322 1 18 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.578 -1.786 19382 7323 1 18 . 1 1 31 31 TYR H H 31 7.741 7.741 7.537 0.204 19382 7324 1 18 . 1 1 32 32 GLY N N 32 104.475 104.475 105.233 -0.758 19382 7325 1 18 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.333 -0.737 19382 7326 1 18 . 1 1 32 32 GLY H H 32 7.401 7.401 7.415 -0.014 19382 7327 1 18 . 1 1 33 33 ARG N N 33 116.936 116.936 120.631 -3.695 19382 7328 1 18 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.501 -0.219 19382 7329 1 18 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.479 2.424 19382 7330 1 18 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.230 -0.476 19382 7331 1 18 . 1 1 33 33 ARG H H 33 8.286 8.286 8.232 0.054 19382 7332 1 18 . 1 1 34 34 ILE N N 34 128.703 128.703 126.447 2.256 19382 7333 1 18 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.950 0.078 19382 7334 1 18 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.625 -1.774 19382 7335 1 18 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.568 1.369 19382 7336 1 18 . 1 1 34 34 ILE H H 34 8.797 8.797 8.407 0.390 19382 7337 1 18 . 1 1 35 35 VAL N N 35 122.207 122.207 121.645 0.562 19382 7338 1 18 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.305 -0.028 19382 7339 1 18 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.178 0.210 19382 7340 1 18 . 1 1 35 35 VAL CB C 35 33.054 33.054 33.249 -0.195 19382 7341 1 18 . 1 1 35 35 VAL H H 35 8.859 8.859 8.835 0.024 19382 7342 1 18 . 1 1 36 36 GLU N N 36 118.922 118.922 119.485 -0.563 19382 7343 1 18 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.511 0.024 19382 7344 1 18 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.825 1.019 19382 7345 1 18 . 1 1 36 36 GLU CB C 36 34.132 34.132 33.015 1.117 19382 7346 1 18 . 1 1 36 36 GLU H H 36 7.228 7.228 7.698 -0.470 19382 7347 1 18 . 1 1 37 37 VAL N N 37 126.068 126.068 123.012 3.056 19382 7348 1 18 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.407 0.013 19382 7349 1 18 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.418 0.992 19382 7350 1 18 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.911 -1.003 19382 7351 1 18 . 1 1 37 37 VAL H H 37 8.607 8.607 8.538 0.069 19382 7352 1 18 . 1 1 38 38 LEU N N 38 129.638 129.638 125.797 3.841 19382 7353 1 18 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.844 -0.052 19382 7354 1 18 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.668 -0.273 19382 7355 1 18 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.851 -1.313 19382 7356 1 18 . 1 1 38 38 LEU H H 38 9.052 9.052 9.014 0.038 19382 7357 1 18 . 1 1 39 39 LEU N N 39 128.599 128.599 123.297 5.302 19382 7358 1 18 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.498 -0.098 19382 7359 1 18 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.391 -0.394 19382 7360 1 18 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.720 -0.488 19382 7361 1 18 . 1 1 39 39 LEU H H 39 9.030 9.030 8.365 0.665 19382 7362 1 18 . 1 1 40 40 MET N N 40 125.937 125.937 124.949 0.988 19382 7363 1 18 . 1 1 40 40 MET HA H 40 4.595 4.595 4.738 -0.143 19382 7364 1 18 . 1 1 40 40 MET CA C 40 54.617 54.617 53.226 1.391 19382 7365 1 18 . 1 1 40 40 MET CB C 40 29.778 29.778 32.525 -2.747 19382 7366 1 18 . 1 1 40 40 MET H H 40 7.848 7.848 8.241 -0.393 19382 7367 1 18 . 1 1 41 41 LYS N N 41 122.049 122.049 121.315 0.734 19382 7368 1 18 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.564 0.347 19382 7369 1 18 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.706 0.002 19382 7370 1 18 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.110 1.232 19382 7371 1 18 . 1 1 41 41 LYS H H 41 8.444 8.444 8.300 0.144 19382 7372 1 18 . 1 1 42 42 ASP N N 42 123.896 123.896 120.690 3.206 19382 7373 1 18 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.539 0.146 19382 7374 1 18 . 1 1 42 42 ASP CB C 42 43.050 43.050 42.267 0.783 19382 7375 1 18 . 1 1 42 42 ASP H H 42 8.864 8.864 8.819 0.045 19382 7376 1 18 . 1 1 43 43 ARG N N 43 126.892 126.892 123.422 3.470 19382 7377 1 18 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.282 -0.127 19382 7378 1 18 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.267 1.523 19382 7379 1 18 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.798 -0.468 19382 7380 1 18 . 1 1 43 43 ARG H H 43 8.983 8.983 8.638 0.345 19382 7381 1 18 . 1 1 44 44 GLU N N 44 117.468 117.468 117.554 -0.086 19382 7382 1 18 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.417 -0.046 19382 7383 1 18 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.181 1.502 19382 7384 1 18 . 1 1 44 44 GLU CB C 44 30.160 30.160 31.233 -1.073 19382 7385 1 18 . 1 1 44 44 GLU H H 44 8.687 8.687 9.029 -0.342 19382 7386 1 18 . 1 1 45 45 THR N N 45 107.088 107.088 109.173 -2.085 19382 7387 1 18 . 1 1 45 45 THR HA H 45 4.447 4.447 4.478 -0.031 19382 7388 1 18 . 1 1 45 45 THR CA C 45 61.838 61.838 61.293 0.545 19382 7389 1 18 . 1 1 45 45 THR CB C 45 71.163 71.163 70.274 0.889 19382 7390 1 18 . 1 1 45 45 THR H H 45 8.172 8.172 7.793 0.379 19382 7391 1 18 . 1 1 46 46 ASN N N 46 117.525 117.525 116.905 0.620 19382 7392 1 18 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.413 0.083 19382 7393 1 18 . 1 1 46 46 ASN CA C 46 55.027 55.027 55.044 -0.017 19382 7394 1 18 . 1 1 46 46 ASN CB C 46 38.541 38.541 36.855 1.686 19382 7395 1 18 . 1 1 46 46 ASN H H 46 8.389 8.389 8.037 0.352 19382 7396 1 18 . 1 1 47 47 LYS N N 47 117.695 117.695 118.040 -0.345 19382 7397 1 18 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.239 0.218 19382 7398 1 18 . 1 1 47 47 LYS CA C 47 55.547 55.547 57.281 -1.734 19382 7399 1 18 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.600 0.468 19382 7400 1 18 . 1 1 47 47 LYS H H 47 7.649 7.649 7.625 0.024 19382 7401 1 18 . 1 1 48 48 SER N N 48 116.260 116.260 110.104 6.156 19382 7402 1 18 . 1 1 48 48 SER HA H 48 4.384 4.384 4.713 -0.329 19382 7403 1 18 . 1 1 48 48 SER CA C 48 58.462 58.462 56.576 1.886 19382 7404 1 18 . 1 1 48 48 SER CB C 48 64.621 64.621 64.887 -0.266 19382 7405 1 18 . 1 1 48 48 SER H H 48 8.787 8.787 8.212 0.575 19382 7406 1 18 . 1 1 49 49 ARG N N 49 124.026 124.026 124.904 -0.878 19382 7407 1 18 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.399 0.060 19382 7408 1 18 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.126 0.615 19382 7409 1 18 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.357 1.543 19382 7410 1 18 . 1 1 49 49 ARG H H 49 9.079 9.079 8.708 0.371 19382 7411 1 18 . 1 1 50 50 GLY N N 50 106.539 106.539 106.848 -0.309 19382 7412 1 18 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.684 0.164 19382 7413 1 18 . 1 1 50 50 GLY H H 50 9.178 9.178 8.170 1.008 19382 7414 1 18 . 1 1 51 51 PHE N N 51 112.056 112.056 115.137 -3.081 19382 7415 1 18 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.612 -0.316 19382 7416 1 18 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.014 1.099 19382 7417 1 18 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.632 -0.230 19382 7418 1 18 . 1 1 51 51 PHE H H 51 7.004 7.004 7.246 -0.242 19382 7419 1 18 . 1 1 52 52 ALA N N 52 120.974 120.974 120.439 0.535 19382 7420 1 18 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.844 -0.005 19382 7421 1 18 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.030 -1.364 19382 7422 1 18 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.021 3.571 19382 7423 1 18 . 1 1 52 52 ALA H H 52 8.832 8.832 7.626 1.206 19382 7424 1 18 . 1 1 53 53 PHE N N 53 113.680 113.680 115.023 -1.343 19382 7425 1 18 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.742 -0.069 19382 7426 1 18 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.617 -0.478 19382 7427 1 18 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.269 -1.608 19382 7428 1 18 . 1 1 53 53 PHE H H 53 8.710 8.710 7.955 0.755 19382 7429 1 18 . 1 1 54 54 VAL N N 54 124.889 124.889 119.896 4.993 19382 7430 1 18 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.680 -0.000 19382 7431 1 18 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.770 -0.427 19382 7432 1 18 . 1 1 54 54 VAL H H 54 8.800 8.800 8.608 0.192 19382 7433 1 18 . 1 1 55 55 THR N N 55 123.052 123.052 125.523 -2.471 19382 7434 1 18 . 1 1 55 55 THR HA H 55 5.159 5.159 5.263 -0.103 19382 7435 1 18 . 1 1 55 55 THR CA C 55 61.912 61.912 61.649 0.263 19382 7436 1 18 . 1 1 55 55 THR CB C 55 69.698 69.698 69.956 -0.258 19382 7437 1 18 . 1 1 55 55 THR H H 55 8.943 8.943 8.961 -0.018 19382 7438 1 18 . 1 1 56 56 PHE N N 56 128.514 128.514 125.327 3.187 19382 7439 1 18 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.976 -0.161 19382 7440 1 18 . 1 1 56 56 PHE CA C 56 58.294 58.294 56.213 2.081 19382 7441 1 18 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.668 -0.002 19382 7442 1 18 . 1 1 56 56 PHE H H 56 8.917 8.917 9.331 -0.414 19382 7443 1 18 . 1 1 57 57 GLU N N 57 121.809 121.809 120.527 1.282 19382 7444 1 18 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.215 -0.263 19382 7445 1 18 . 1 1 57 57 GLU CA C 57 59.502 59.502 57.995 1.508 19382 7446 1 18 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.372 0.179 19382 7447 1 18 . 1 1 57 57 GLU H H 57 8.240 8.240 8.738 -0.498 19382 7448 1 18 . 1 1 58 58 SER N N 58 112.478 112.478 112.573 -0.095 19382 7449 1 18 . 1 1 58 58 SER HA H 58 5.333 5.333 4.839 0.494 19382 7450 1 18 . 1 1 58 58 SER CA C 58 53.261 53.261 54.677 -1.416 19382 7451 1 18 . 1 1 58 58 SER CB C 58 64.505 64.505 64.454 0.050 19382 7452 1 18 . 1 1 58 58 SER H H 58 9.461 9.461 7.906 1.555 19382 7453 1 18 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.644 -0.496 19382 7454 1 18 . 1 1 59 59 PRO CA C 59 65.069 65.069 63.708 1.361 19382 7455 1 18 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.924 0.478 19382 7456 1 18 . 1 1 60 60 ALA N N 60 120.882 120.882 121.323 -0.441 19382 7457 1 18 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.450 -0.352 19382 7458 1 18 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.994 2.361 19382 7459 1 18 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.730 -1.317 19382 7460 1 18 . 1 1 60 60 ALA H H 60 7.957 7.957 7.800 0.157 19382 7461 1 18 . 1 1 61 61 ASP N N 61 120.196 120.196 117.636 2.560 19382 7462 1 18 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.543 -0.239 19382 7463 1 18 . 1 1 61 61 ASP CA C 61 56.972 56.972 56.213 0.759 19382 7464 1 18 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.178 0.110 19382 7465 1 18 . 1 1 61 61 ASP H H 61 7.157 7.157 8.416 -1.259 19382 7466 1 18 . 1 1 62 62 ALA N N 62 119.636 119.636 122.925 -3.289 19382 7467 1 18 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.570 0.697 19382 7468 1 18 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.208 0.159 19382 7469 1 18 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.163 0.841 19382 7470 1 18 . 1 1 62 62 ALA H H 62 6.901 6.901 7.243 -0.342 19382 7471 1 18 . 1 1 63 63 LYS N N 63 117.322 117.322 117.187 0.135 19382 7472 1 18 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.861 0.114 19382 7473 1 18 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.553 0.085 19382 7474 1 18 . 1 1 63 63 LYS CB C 63 32.046 32.046 31.958 0.088 19382 7475 1 18 . 1 1 63 63 LYS H H 63 7.605 7.605 8.109 -0.504 19382 7476 1 18 . 1 1 64 64 ASP N N 64 120.944 120.944 117.595 3.349 19382 7477 1 18 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.419 -0.055 19382 7478 1 18 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.270 1.225 19382 7479 1 18 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.775 -0.271 19382 7480 1 18 . 1 1 64 64 ASP H H 64 7.488 7.488 8.003 -0.515 19382 7481 1 18 . 1 1 65 65 ALA N N 65 122.197 122.197 119.959 2.238 19382 7482 1 18 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.891 -0.538 19382 7483 1 18 . 1 1 65 65 ALA CA C 65 54.483 54.483 53.826 0.657 19382 7484 1 18 . 1 1 65 65 ALA CB C 65 19.852 19.852 18.997 0.855 19382 7485 1 18 . 1 1 65 65 ALA H H 65 7.806 7.806 6.976 0.830 19382 7486 1 18 . 1 1 66 66 ALA N N 66 118.722 118.722 119.622 -0.900 19382 7487 1 18 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.107 -0.248 19382 7488 1 18 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.910 1.472 19382 7489 1 18 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.592 -0.778 19382 7490 1 18 . 1 1 66 66 ALA H H 66 8.247 8.247 7.829 0.418 19382 7491 1 18 . 1 1 67 67 ARG N N 67 116.529 116.529 115.310 1.219 19382 7492 1 18 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.343 -0.237 19382 7493 1 18 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.522 2.412 19382 7494 1 18 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.122 0.030 19382 7495 1 18 . 1 1 67 67 ARG H H 67 7.803 7.803 7.709 0.094 19382 7496 1 18 . 1 1 68 68 ASP N N 68 116.394 116.394 118.855 -2.461 19382 7497 1 18 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.736 -0.004 19382 7498 1 18 . 1 1 68 68 ASP CB C 68 42.683 42.683 43.069 -0.386 19382 7499 1 18 . 1 1 68 68 ASP H H 68 7.800 7.800 7.974 -0.174 19382 7500 1 18 . 1 1 69 69 MET N N 69 111.832 111.832 117.129 -5.297 19382 7501 1 18 . 1 1 69 69 MET HA H 69 4.902 4.902 4.382 0.520 19382 7502 1 18 . 1 1 69 69 MET CA C 69 53.703 53.703 54.902 -1.199 19382 7503 1 18 . 1 1 69 69 MET CB C 69 32.130 32.130 32.054 0.076 19382 7504 1 18 . 1 1 69 69 MET H H 69 8.203 8.203 8.012 0.191 19382 7505 1 18 . 1 1 70 70 ASN N N 70 116.507 116.507 117.379 -0.872 19382 7506 1 18 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.499 -0.040 19382 7507 1 18 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.192 2.781 19382 7508 1 18 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.836 -0.064 19382 7509 1 18 . 1 1 70 70 ASN H H 70 7.724 7.724 7.616 0.108 19382 7510 1 18 . 1 1 71 71 GLY N N 71 117.038 117.038 113.765 3.273 19382 7511 1 18 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.822 0.123 19382 7512 1 18 . 1 1 71 71 GLY H H 71 9.065 9.065 8.393 0.672 19382 7513 1 18 . 1 1 72 72 LYS N N 72 120.950 120.950 120.548 0.402 19382 7514 1 18 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.561 -0.126 19382 7515 1 18 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.748 0.675 19382 7516 1 18 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.697 -0.640 19382 7517 1 18 . 1 1 72 72 LYS H H 72 7.949 7.949 7.570 0.379 19382 7518 1 18 . 1 1 73 73 SER N N 73 112.847 112.847 113.106 -0.259 19382 7519 1 18 . 1 1 73 73 SER HA H 73 5.076 5.076 5.025 0.051 19382 7520 1 18 . 1 1 73 73 SER CA C 73 57.821 57.821 56.488 1.333 19382 7521 1 18 . 1 1 73 73 SER CB C 73 64.481 64.481 64.726 -0.245 19382 7522 1 18 . 1 1 73 73 SER H H 73 8.078 8.078 8.347 -0.269 19382 7523 1 18 . 1 1 74 74 LEU N N 74 127.515 127.515 124.575 2.940 19382 7524 1 18 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.606 -0.015 19382 7525 1 18 . 1 1 74 74 LEU CA C 74 54.810 54.810 56.295 -1.485 19382 7526 1 18 . 1 1 74 74 LEU CB C 74 44.722 44.722 43.063 1.659 19382 7527 1 18 . 1 1 74 74 LEU H H 74 9.069 9.069 8.425 0.644 19382 7528 1 18 . 1 1 75 75 ASP N N 75 128.803 128.803 115.090 13.713 19382 7529 1 18 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.732 -0.391 19382 7530 1 18 . 1 1 75 75 ASP CA C 75 55.686 55.686 54.035 1.651 19382 7531 1 18 . 1 1 75 75 ASP CB C 75 39.429 39.429 42.915 -3.486 19382 7532 1 18 . 1 1 75 75 ASP H H 75 9.565 9.565 8.298 1.267 19382 7533 1 18 . 1 1 76 76 GLY N N 76 101.959 101.959 106.845 -4.886 19382 7534 1 18 . 1 1 76 76 GLY CA C 76 45.659 45.659 45.682 -0.023 19382 7535 1 18 . 1 1 76 76 GLY H H 76 8.447 8.447 7.666 0.781 19382 7536 1 18 . 1 1 77 77 LYS N N 77 120.026 120.026 120.552 -0.526 19382 7537 1 18 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.691 0.021 19382 7538 1 18 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.163 0.740 19382 7539 1 18 . 1 1 77 77 LYS H H 77 7.417 7.417 7.899 -0.482 19382 7540 1 18 . 1 1 78 78 ALA N N 78 125.190 125.190 127.133 -1.943 19382 7541 1 18 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.919 -0.382 19382 7542 1 18 . 1 1 78 78 ALA CA C 78 51.602 51.602 51.675 -0.073 19382 7543 1 18 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.526 -1.298 19382 7544 1 18 . 1 1 78 78 ALA H H 78 8.304 8.304 8.674 -0.370 19382 7545 1 18 . 1 1 79 79 ILE N N 79 119.566 119.566 116.642 2.924 19382 7546 1 18 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.257 -0.414 19382 7547 1 18 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.671 2.106 19382 7548 1 18 . 1 1 79 79 ILE CB C 79 40.554 40.554 41.777 -1.223 19382 7549 1 18 . 1 1 79 79 ILE H H 79 8.293 8.293 8.812 -0.519 19382 7550 1 18 . 1 1 80 80 LYS N N 80 123.948 123.948 121.152 2.796 19382 7551 1 18 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.113 -0.110 19382 7552 1 18 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.373 -0.045 19382 7553 1 18 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.267 -1.297 19382 7554 1 18 . 1 1 80 80 LYS H H 80 8.552 8.552 8.762 -0.210 19382 7555 1 18 . 1 1 81 81 VAL N N 81 123.950 123.950 124.746 -0.796 19382 7556 1 18 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.246 0.054 19382 7557 1 18 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.985 0.038 19382 7558 1 18 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.383 0.318 19382 7559 1 18 . 1 1 81 81 VAL H H 81 8.753 8.753 8.548 0.205 19382 7560 1 18 . 1 1 82 82 GLU N N 82 123.264 123.264 124.445 -1.181 19382 7561 1 18 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.674 0.079 19382 7562 1 18 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.820 1.153 19382 7563 1 18 . 1 1 82 82 GLU H H 82 9.060 9.060 8.355 0.705 19382 7564 1 18 . 1 1 83 83 GLN N N 83 121.972 121.972 122.005 -0.033 19382 7565 1 18 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.590 -0.252 19382 7566 1 18 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.370 0.994 19382 7567 1 18 . 1 1 83 83 GLN CB C 83 28.986 28.986 29.034 -0.048 19382 7568 1 18 . 1 1 83 83 GLN H H 83 8.790 8.790 8.562 0.228 19382 7569 1 18 . 1 1 84 84 ALA N N 84 129.351 129.351 129.090 0.261 19382 7570 1 18 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.629 0.647 19382 7571 1 18 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.124 0.738 19382 7572 1 18 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.524 -0.763 19382 7573 1 18 . 1 1 84 84 ALA H H 84 9.051 9.051 8.616 0.435 19382 7574 1 18 . 1 1 85 85 THR HA H 85 4.767 4.767 4.533 0.234 19382 7575 1 18 . 1 1 85 85 THR CB C 85 70.557 70.557 71.155 -0.598 19382 7576 1 18 . 1 1 86 86 LYS N N 86 120.733 120.733 122.142 -1.409 19382 7577 1 18 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.289 0.171 19382 7578 1 18 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.883 0.430 19382 7579 1 18 . 1 1 86 86 LYS H H 86 8.517 8.517 8.453 0.064 19382 7580 1 18 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.449 -0.016 19382 7581 1 18 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.447 0.649 19382 7582 1 18 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.282 -0.164 19382 7583 1 18 . 1 1 88 88 SER N N 88 117.293 117.293 114.485 2.808 19382 7584 1 18 . 1 1 88 88 SER HA H 88 4.262 4.262 4.309 -0.047 19382 7585 1 18 . 1 1 88 88 SER CA C 88 59.204 59.204 59.772 -0.568 19382 7586 1 18 . 1 1 88 88 SER CB C 88 63.891 63.891 63.222 0.668 19382 7587 1 18 . 1 1 88 88 SER H H 88 8.508 8.508 8.457 0.051 19382 7588 1 18 . 1 1 89 89 PHE N N 89 120.710 120.710 116.605 4.105 19382 7589 1 18 . 1 1 89 89 PHE HA H 89 4.643 4.643 5.063 -0.420 19382 7590 1 18 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.652 0.817 19382 7591 1 18 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.662 0.578 19382 7592 1 18 . 1 1 89 89 PHE H H 89 7.930 7.930 7.859 0.071 19382 7593 1 18 . 1 1 90 90 GLU N N 90 121.794 121.794 119.913 1.881 19382 7594 1 18 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.488 -0.201 19382 7595 1 18 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.642 1.059 19382 7596 1 18 . 1 1 90 90 GLU CB C 90 30.383 30.383 32.667 -2.284 19382 7597 1 18 . 1 1 90 90 GLU H H 90 8.099 8.099 7.505 0.595 19382 7598 1 18 . 1 1 91 91 SER N N 91 116.607 116.607 117.337 -0.730 19382 7599 1 18 . 1 1 91 91 SER HA H 91 4.419 4.419 4.701 -0.282 19382 7600 1 18 . 1 1 91 91 SER CA C 91 59.090 59.090 57.080 2.010 19382 7601 1 18 . 1 1 91 91 SER CB C 91 64.011 64.011 64.381 -0.370 19382 7602 1 18 . 1 1 91 91 SER H H 91 8.194 8.194 8.252 -0.058 19382 7603 1 18 . 1 1 92 92 GLY N N 92 110.531 110.531 111.140 -0.609 19382 7604 1 18 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.837 -0.344 19382 7605 1 18 . 1 1 92 92 GLY H H 92 8.395 8.395 8.732 -0.337 19382 7606 1 18 . 1 1 93 93 ARG N N 93 120.515 120.515 119.000 1.515 19382 7607 1 18 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.531 -0.133 19382 7608 1 18 . 1 1 93 93 ARG CA C 93 56.203 56.203 54.951 1.252 19382 7609 1 18 . 1 1 93 93 ARG CB C 93 31.056 31.056 31.437 -0.381 19382 7610 1 18 . 1 1 93 93 ARG H H 93 8.046 8.046 8.112 -0.066 19382 7611 1 18 . 1 1 94 94 ARG N N 94 123.050 123.050 118.584 4.466 19382 7612 1 18 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.010 0.398 19382 7613 1 18 . 1 1 94 94 ARG CB C 94 31.051 31.051 27.796 3.255 19382 7614 1 18 . 1 1 94 94 ARG H H 94 8.403 8.403 9.123 -0.720 19382 7615 1 19 . 1 1 2 2 VAL N N 2 120.711 120.711 126.466 -5.755 19382 7616 1 19 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.339 -0.099 19382 7617 1 19 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.077 -0.245 19382 7618 1 19 . 1 1 2 2 VAL CB C 2 33.321 33.321 33.158 0.163 19382 7619 1 19 . 1 1 2 2 VAL H H 2 8.063 8.063 8.349 -0.286 19382 7620 1 19 . 1 1 3 3 GLU N N 3 124.381 124.381 127.227 -2.846 19382 7621 1 19 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.733 -0.301 19382 7622 1 19 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.662 -0.002 19382 7623 1 19 . 1 1 3 3 GLU CB C 3 31.558 31.558 31.414 0.144 19382 7624 1 19 . 1 1 3 3 GLU H H 3 8.589 8.589 8.621 -0.032 19382 7625 1 19 . 1 1 4 4 ALA N N 4 124.910 124.910 126.814 -1.904 19382 7626 1 19 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.726 -0.442 19382 7627 1 19 . 1 1 4 4 ALA CA C 4 53.537 53.537 51.608 1.929 19382 7628 1 19 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.869 -1.333 19382 7629 1 19 . 1 1 4 4 ALA H H 4 8.442 8.442 8.383 0.059 19382 7630 1 19 . 1 1 5 5 ASP N N 5 119.622 119.622 123.132 -3.510 19382 7631 1 19 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.590 0.053 19382 7632 1 19 . 1 1 5 5 ASP CB C 5 42.674 42.674 42.515 0.159 19382 7633 1 19 . 1 1 5 5 ASP H H 5 8.363 8.363 8.238 0.125 19382 7634 1 19 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.250 0.401 19382 7635 1 19 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.960 0.105 19382 7636 1 19 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.806 0.118 19382 7637 1 19 . 1 1 8 8 GLY N N 8 110.020 110.020 110.083 -0.063 19382 7638 1 19 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.174 0.199 19382 7639 1 19 . 1 1 8 8 GLY H H 8 8.879 8.879 8.586 0.293 19382 7640 1 19 . 1 1 9 9 LYS N N 9 121.894 121.894 124.241 -2.347 19382 7641 1 19 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.218 -0.081 19382 7642 1 19 . 1 1 9 9 LYS CA C 9 56.028 56.028 56.095 -0.067 19382 7643 1 19 . 1 1 9 9 LYS CB C 9 35.188 35.188 33.933 1.255 19382 7644 1 19 . 1 1 9 9 LYS H H 9 8.011 8.011 7.679 0.332 19382 7645 1 19 . 1 1 10 10 LEU N N 10 127.289 127.289 126.246 1.043 19382 7646 1 19 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.264 -0.284 19382 7647 1 19 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.089 0.405 19382 7648 1 19 . 1 1 10 10 LEU CB C 10 44.494 44.494 46.061 -1.567 19382 7649 1 19 . 1 1 10 10 LEU H H 10 9.536 9.536 9.081 0.455 19382 7650 1 19 . 1 1 11 11 PHE N N 11 123.068 123.068 123.172 -0.104 19382 7651 1 19 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.772 -0.354 19382 7652 1 19 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.764 1.404 19382 7653 1 19 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.511 -1.305 19382 7654 1 19 . 1 1 11 11 PHE H H 11 9.386 9.386 9.321 0.065 19382 7655 1 19 . 1 1 12 12 ILE N N 12 127.476 127.476 126.709 0.767 19382 7656 1 19 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.744 0.069 19382 7657 1 19 . 1 1 12 12 ILE CB C 12 38.791 38.791 37.076 1.715 19382 7658 1 19 . 1 1 12 12 ILE H H 12 7.949 7.949 8.093 -0.144 19382 7659 1 19 . 1 1 13 13 GLY N N 13 110.661 110.661 110.894 -0.233 19382 7660 1 19 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.286 0.464 19382 7661 1 19 . 1 1 13 13 GLY H H 13 8.939 8.939 7.645 1.294 19382 7662 1 19 . 1 1 14 14 GLY N N 14 107.213 107.213 111.335 -4.122 19382 7663 1 19 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.816 0.960 19382 7664 1 19 . 1 1 14 14 GLY H H 14 8.126 8.126 8.640 -0.514 19382 7665 1 19 . 1 1 15 15 LEU N N 15 115.288 115.288 120.030 -4.742 19382 7666 1 19 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.146 -0.089 19382 7667 1 19 . 1 1 15 15 LEU CA C 15 54.639 54.639 54.956 -0.317 19382 7668 1 19 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.371 0.923 19382 7669 1 19 . 1 1 15 15 LEU H H 15 7.621 7.621 7.806 -0.185 19382 7670 1 19 . 1 1 16 16 ASN N N 16 120.674 120.674 118.868 1.806 19382 7671 1 19 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.633 -0.060 19382 7672 1 19 . 1 1 16 16 ASN CB C 16 38.631 38.631 40.142 -1.511 19382 7673 1 19 . 1 1 16 16 ASN H H 16 9.597 9.597 8.494 1.103 19382 7674 1 19 . 1 1 17 17 THR N N 17 122.538 122.538 113.669 8.869 19382 7675 1 19 . 1 1 17 17 THR HA H 17 3.900 3.900 4.156 -0.256 19382 7676 1 19 . 1 1 17 17 THR CA C 17 65.542 65.542 64.004 1.538 19382 7677 1 19 . 1 1 17 17 THR CB C 17 68.594 68.594 68.534 0.060 19382 7678 1 19 . 1 1 17 17 THR H H 17 8.807 8.807 8.680 0.127 19382 7679 1 19 . 1 1 18 18 GLU N N 18 118.149 118.149 118.430 -0.281 19382 7680 1 19 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.576 -0.215 19382 7681 1 19 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.162 1.251 19382 7682 1 19 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.972 -0.058 19382 7683 1 19 . 1 1 18 18 GLU H H 18 8.757 8.757 8.288 0.469 19382 7684 1 19 . 1 1 19 19 THR N N 19 119.146 119.146 118.103 1.043 19382 7685 1 19 . 1 1 19 19 THR HA H 19 4.088 4.088 4.218 -0.130 19382 7686 1 19 . 1 1 19 19 THR CA C 19 64.959 64.959 64.292 0.667 19382 7687 1 19 . 1 1 19 19 THR CB C 19 68.536 68.536 69.632 -1.096 19382 7688 1 19 . 1 1 19 19 THR H H 19 7.627 7.627 7.699 -0.072 19382 7689 1 19 . 1 1 20 20 ASN N N 20 126.361 126.361 122.174 4.187 19382 7690 1 19 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.921 -0.005 19382 7691 1 19 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.897 -0.899 19382 7692 1 19 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.351 -0.997 19382 7693 1 19 . 1 1 20 20 ASN H H 20 8.076 8.076 8.292 -0.216 19382 7694 1 19 . 1 1 21 21 GLU N N 21 118.317 118.317 121.327 -3.010 19382 7695 1 19 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.050 -0.329 19382 7696 1 19 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.082 1.738 19382 7697 1 19 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.435 -0.564 19382 7698 1 19 . 1 1 21 21 GLU H H 21 10.233 10.233 8.710 1.523 19382 7699 1 19 . 1 1 22 22 LYS N N 22 118.930 118.930 118.755 0.175 19382 7700 1 19 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.107 0.057 19382 7701 1 19 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.843 -0.048 19382 7702 1 19 . 1 1 22 22 LYS CB C 22 31.727 31.727 32.133 -0.406 19382 7703 1 19 . 1 1 22 22 LYS H H 22 7.920 7.920 8.414 -0.494 19382 7704 1 19 . 1 1 23 23 ALA N N 23 123.201 123.201 120.372 2.829 19382 7705 1 19 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.333 -0.010 19382 7706 1 19 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.170 0.851 19382 7707 1 19 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.700 0.324 19382 7708 1 19 . 1 1 23 23 ALA H H 23 7.915 7.915 7.502 0.413 19382 7709 1 19 . 1 1 24 24 LEU N N 24 116.213 116.213 119.009 -2.796 19382 7710 1 19 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.408 -0.241 19382 7711 1 19 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.208 0.887 19382 7712 1 19 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.623 -0.165 19382 7713 1 19 . 1 1 24 24 LEU H H 24 7.760 7.760 7.592 0.168 19382 7714 1 19 . 1 1 25 25 GLU N N 25 119.637 119.637 118.837 0.800 19382 7715 1 19 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.078 -0.315 19382 7716 1 19 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.947 1.268 19382 7717 1 19 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.764 0.085 19382 7718 1 19 . 1 1 25 25 GLU H H 25 8.545 8.545 8.672 -0.127 19382 7719 1 19 . 1 1 26 26 ALA N N 26 121.001 121.001 120.940 0.061 19382 7720 1 19 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.214 -0.016 19382 7721 1 19 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.288 0.793 19382 7722 1 19 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.811 -0.392 19382 7723 1 19 . 1 1 26 26 ALA H H 26 7.975 7.975 7.619 0.356 19382 7724 1 19 . 1 1 27 27 VAL N N 27 115.732 115.732 116.122 -0.390 19382 7725 1 19 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.793 0.150 19382 7726 1 19 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.028 1.218 19382 7727 1 19 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.572 0.182 19382 7728 1 19 . 1 1 27 27 VAL H H 27 7.817 7.817 7.567 0.250 19382 7729 1 19 . 1 1 28 28 PHE N N 28 115.329 115.329 117.792 -2.463 19382 7730 1 19 . 1 1 28 28 PHE HA H 28 4.642 4.642 5.002 -0.360 19382 7731 1 19 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.414 3.288 19382 7732 1 19 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.301 -1.017 19382 7733 1 19 . 1 1 28 28 PHE H H 28 8.607 8.607 7.744 0.863 19382 7734 1 19 . 1 1 29 29 GLY N N 29 108.306 108.306 107.218 1.088 19382 7735 1 19 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.610 0.795 19382 7736 1 19 . 1 1 29 29 GLY H H 29 8.425 8.425 7.785 0.640 19382 7737 1 19 . 1 1 30 30 LYS N N 30 117.374 117.374 118.924 -1.550 19382 7738 1 19 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.051 0.045 19382 7739 1 19 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.545 0.348 19382 7740 1 19 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.787 0.209 19382 7741 1 19 . 1 1 30 30 LYS H H 30 6.970 6.970 7.626 -0.656 19382 7742 1 19 . 1 1 31 31 TYR N N 31 115.689 115.689 116.859 -1.170 19382 7743 1 19 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.790 -0.495 19382 7744 1 19 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.520 1.293 19382 7745 1 19 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.776 -1.983 19382 7746 1 19 . 1 1 31 31 TYR H H 31 7.741 7.741 7.561 0.180 19382 7747 1 19 . 1 1 32 32 GLY N N 32 104.475 104.475 104.537 -0.062 19382 7748 1 19 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.445 -0.849 19382 7749 1 19 . 1 1 32 32 GLY H H 32 7.401 7.401 7.497 -0.096 19382 7750 1 19 . 1 1 33 33 ARG N N 33 116.936 116.936 121.103 -4.167 19382 7751 1 19 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.395 -0.113 19382 7752 1 19 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.962 1.941 19382 7753 1 19 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.068 -0.314 19382 7754 1 19 . 1 1 33 33 ARG H H 33 8.286 8.286 8.566 -0.280 19382 7755 1 19 . 1 1 34 34 ILE N N 34 128.703 128.703 126.584 2.119 19382 7756 1 19 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.944 0.084 19382 7757 1 19 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.627 -1.776 19382 7758 1 19 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.563 1.374 19382 7759 1 19 . 1 1 34 34 ILE H H 34 8.797 8.797 8.459 0.338 19382 7760 1 19 . 1 1 35 35 VAL N N 35 122.207 122.207 123.512 -1.305 19382 7761 1 19 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.295 -0.018 19382 7762 1 19 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.704 -0.316 19382 7763 1 19 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.929 0.125 19382 7764 1 19 . 1 1 35 35 VAL H H 35 8.859 8.859 8.889 -0.030 19382 7765 1 19 . 1 1 36 36 GLU N N 36 118.922 118.922 118.905 0.017 19382 7766 1 19 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.544 -0.009 19382 7767 1 19 . 1 1 36 36 GLU CA C 36 56.844 56.844 56.097 0.747 19382 7768 1 19 . 1 1 36 36 GLU CB C 36 34.132 34.132 32.979 1.153 19382 7769 1 19 . 1 1 36 36 GLU H H 36 7.228 7.228 7.682 -0.454 19382 7770 1 19 . 1 1 37 37 VAL N N 37 126.068 126.068 123.199 2.869 19382 7771 1 19 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.362 0.058 19382 7772 1 19 . 1 1 37 37 VAL CA C 37 62.410 62.410 60.961 1.449 19382 7773 1 19 . 1 1 37 37 VAL CB C 37 33.908 33.908 35.100 -1.192 19382 7774 1 19 . 1 1 37 37 VAL H H 37 8.607 8.607 8.565 0.042 19382 7775 1 19 . 1 1 38 38 LEU N N 38 129.638 129.638 125.430 4.208 19382 7776 1 19 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.790 0.002 19382 7777 1 19 . 1 1 38 38 LEU CA C 38 53.395 53.395 54.047 -0.652 19382 7778 1 19 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.677 -1.139 19382 7779 1 19 . 1 1 38 38 LEU H H 38 9.052 9.052 8.950 0.102 19382 7780 1 19 . 1 1 39 39 LEU N N 39 128.599 128.599 123.814 4.785 19382 7781 1 19 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.549 -0.149 19382 7782 1 19 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.453 -0.456 19382 7783 1 19 . 1 1 39 39 LEU CB C 39 44.232 44.232 45.026 -0.794 19382 7784 1 19 . 1 1 39 39 LEU H H 39 9.030 9.030 8.382 0.648 19382 7785 1 19 . 1 1 40 40 MET N N 40 125.937 125.937 125.120 0.817 19382 7786 1 19 . 1 1 40 40 MET HA H 40 4.595 4.595 4.718 -0.123 19382 7787 1 19 . 1 1 40 40 MET CA C 40 54.617 54.617 53.151 1.466 19382 7788 1 19 . 1 1 40 40 MET CB C 40 29.778 29.778 32.471 -2.693 19382 7789 1 19 . 1 1 40 40 MET H H 40 7.848 7.848 8.142 -0.294 19382 7790 1 19 . 1 1 41 41 LYS N N 41 122.049 122.049 120.285 1.764 19382 7791 1 19 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.875 0.036 19382 7792 1 19 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.597 0.111 19382 7793 1 19 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.650 0.692 19382 7794 1 19 . 1 1 41 41 LYS H H 41 8.444 8.444 8.271 0.173 19382 7795 1 19 . 1 1 42 42 ASP N N 42 123.896 123.896 121.759 2.137 19382 7796 1 19 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.552 0.133 19382 7797 1 19 . 1 1 42 42 ASP CB C 42 43.050 43.050 43.045 0.005 19382 7798 1 19 . 1 1 42 42 ASP H H 42 8.864 8.864 8.851 0.013 19382 7799 1 19 . 1 1 43 43 ARG N N 43 126.892 126.892 120.210 6.682 19382 7800 1 19 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.473 -0.318 19382 7801 1 19 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.134 1.656 19382 7802 1 19 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.901 -0.571 19382 7803 1 19 . 1 1 43 43 ARG H H 43 8.983 8.983 8.546 0.437 19382 7804 1 19 . 1 1 44 44 GLU N N 44 117.468 117.468 120.172 -2.704 19382 7805 1 19 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.479 -0.108 19382 7806 1 19 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.566 1.117 19382 7807 1 19 . 1 1 44 44 GLU CB C 44 30.160 30.160 30.252 -0.092 19382 7808 1 19 . 1 1 44 44 GLU H H 44 8.687 8.687 9.155 -0.468 19382 7809 1 19 . 1 1 45 45 THR N N 45 107.088 107.088 108.361 -1.273 19382 7810 1 19 . 1 1 45 45 THR HA H 45 4.447 4.447 4.493 -0.046 19382 7811 1 19 . 1 1 45 45 THR CA C 45 61.838 61.838 60.855 0.983 19382 7812 1 19 . 1 1 45 45 THR CB C 45 71.163 71.163 69.868 1.295 19382 7813 1 19 . 1 1 45 45 THR H H 45 8.172 8.172 7.476 0.696 19382 7814 1 19 . 1 1 46 46 ASN N N 46 117.525 117.525 117.987 -0.462 19382 7815 1 19 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.559 -0.063 19382 7816 1 19 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.824 0.203 19382 7817 1 19 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.709 0.832 19382 7818 1 19 . 1 1 46 46 ASN H H 46 8.389 8.389 8.527 -0.138 19382 7819 1 19 . 1 1 47 47 LYS N N 47 117.695 117.695 118.791 -1.096 19382 7820 1 19 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.434 0.023 19382 7821 1 19 . 1 1 47 47 LYS CA C 47 55.547 55.547 54.886 0.661 19382 7822 1 19 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.401 0.667 19382 7823 1 19 . 1 1 47 47 LYS H H 47 7.649 7.649 7.528 0.121 19382 7824 1 19 . 1 1 48 48 SER N N 48 116.260 116.260 118.229 -1.969 19382 7825 1 19 . 1 1 48 48 SER HA H 48 4.384 4.384 4.447 -0.063 19382 7826 1 19 . 1 1 48 48 SER CA C 48 58.462 58.462 59.597 -1.135 19382 7827 1 19 . 1 1 48 48 SER CB C 48 64.621 64.621 63.459 1.162 19382 7828 1 19 . 1 1 48 48 SER H H 48 8.787 8.787 8.293 0.494 19382 7829 1 19 . 1 1 49 49 ARG N N 49 124.026 124.026 124.192 -0.166 19382 7830 1 19 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.301 0.158 19382 7831 1 19 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.097 0.644 19382 7832 1 19 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.192 1.708 19382 7833 1 19 . 1 1 49 49 ARG H H 49 9.079 9.079 8.703 0.376 19382 7834 1 19 . 1 1 50 50 GLY N N 50 106.539 106.539 106.129 0.410 19382 7835 1 19 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.474 0.374 19382 7836 1 19 . 1 1 50 50 GLY H H 50 9.178 9.178 8.436 0.742 19382 7837 1 19 . 1 1 51 51 PHE N N 51 112.056 112.056 115.639 -3.583 19382 7838 1 19 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.667 -0.371 19382 7839 1 19 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.166 0.947 19382 7840 1 19 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.764 -0.362 19382 7841 1 19 . 1 1 51 51 PHE H H 51 7.004 7.004 7.260 -0.256 19382 7842 1 19 . 1 1 52 52 ALA N N 52 120.974 120.974 120.337 0.637 19382 7843 1 19 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.899 -0.060 19382 7844 1 19 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.150 -1.484 19382 7845 1 19 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.058 3.534 19382 7846 1 19 . 1 1 52 52 ALA H H 52 8.832 8.832 7.882 0.950 19382 7847 1 19 . 1 1 53 53 PHE N N 53 113.680 113.680 114.923 -1.243 19382 7848 1 19 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.610 0.063 19382 7849 1 19 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.972 -0.832 19382 7850 1 19 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.274 -1.613 19382 7851 1 19 . 1 1 53 53 PHE H H 53 8.710 8.710 8.048 0.662 19382 7852 1 19 . 1 1 54 54 VAL N N 54 124.889 124.889 119.668 5.221 19382 7853 1 19 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.693 -0.013 19382 7854 1 19 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.966 -0.623 19382 7855 1 19 . 1 1 54 54 VAL H H 54 8.800 8.800 8.632 0.168 19382 7856 1 19 . 1 1 55 55 THR N N 55 123.052 123.052 125.853 -2.801 19382 7857 1 19 . 1 1 55 55 THR HA H 55 5.159 5.159 5.231 -0.072 19382 7858 1 19 . 1 1 55 55 THR CA C 55 61.912 61.912 61.389 0.523 19382 7859 1 19 . 1 1 55 55 THR CB C 55 69.698 69.698 69.959 -0.261 19382 7860 1 19 . 1 1 55 55 THR H H 55 8.943 8.943 9.026 -0.083 19382 7861 1 19 . 1 1 56 56 PHE N N 56 128.514 128.514 125.977 2.537 19382 7862 1 19 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.894 -0.079 19382 7863 1 19 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.089 1.205 19382 7864 1 19 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.376 0.291 19382 7865 1 19 . 1 1 56 56 PHE H H 56 8.917 8.917 9.352 -0.435 19382 7866 1 19 . 1 1 57 57 GLU N N 57 121.809 121.809 121.489 0.320 19382 7867 1 19 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.193 -0.241 19382 7868 1 19 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.864 0.638 19382 7869 1 19 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.422 0.129 19382 7870 1 19 . 1 1 57 57 GLU H H 57 8.240 8.240 8.856 -0.616 19382 7871 1 19 . 1 1 58 58 SER N N 58 112.478 112.478 112.599 -0.121 19382 7872 1 19 . 1 1 58 58 SER HA H 58 5.333 5.333 4.991 0.342 19382 7873 1 19 . 1 1 58 58 SER CA C 58 53.261 53.261 54.142 -0.881 19382 7874 1 19 . 1 1 58 58 SER CB C 58 64.505 64.505 64.764 -0.260 19382 7875 1 19 . 1 1 58 58 SER H H 58 9.461 9.461 7.660 1.801 19382 7876 1 19 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.587 -0.439 19382 7877 1 19 . 1 1 59 59 PRO CA C 59 65.069 65.069 63.856 1.212 19382 7878 1 19 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.786 0.616 19382 7879 1 19 . 1 1 60 60 ALA N N 60 120.882 120.882 121.222 -0.340 19382 7880 1 19 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.460 -0.362 19382 7881 1 19 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.947 2.408 19382 7882 1 19 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.761 -1.347 19382 7883 1 19 . 1 1 60 60 ALA H H 60 7.957 7.957 7.667 0.290 19382 7884 1 19 . 1 1 61 61 ASP N N 61 120.196 120.196 120.759 -0.563 19382 7885 1 19 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.488 -0.184 19382 7886 1 19 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.107 -0.135 19382 7887 1 19 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.559 -0.271 19382 7888 1 19 . 1 1 61 61 ASP H H 61 7.157 7.157 7.700 -0.543 19382 7889 1 19 . 1 1 62 62 ALA N N 62 119.636 119.636 121.103 -1.467 19382 7890 1 19 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.573 0.694 19382 7891 1 19 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.422 -0.055 19382 7892 1 19 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.127 0.878 19382 7893 1 19 . 1 1 62 62 ALA H H 62 6.901 6.901 7.283 -0.382 19382 7894 1 19 . 1 1 63 63 LYS N N 63 117.322 117.322 118.594 -1.272 19382 7895 1 19 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.908 0.067 19382 7896 1 19 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.344 0.294 19382 7897 1 19 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.039 0.007 19382 7898 1 19 . 1 1 63 63 LYS H H 63 7.605 7.605 7.740 -0.135 19382 7899 1 19 . 1 1 64 64 ASP N N 64 120.944 120.944 119.258 1.686 19382 7900 1 19 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.388 -0.024 19382 7901 1 19 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.343 1.152 19382 7902 1 19 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.864 -0.360 19382 7903 1 19 . 1 1 64 64 ASP H H 64 7.488 7.488 7.934 -0.446 19382 7904 1 19 . 1 1 65 65 ALA N N 65 122.197 122.197 120.303 1.894 19382 7905 1 19 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.611 -0.258 19382 7906 1 19 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.167 0.316 19382 7907 1 19 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.166 0.685 19382 7908 1 19 . 1 1 65 65 ALA H H 65 7.806 7.806 7.151 0.655 19382 7909 1 19 . 1 1 66 66 ALA N N 66 118.722 118.722 119.072 -0.350 19382 7910 1 19 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.087 -0.228 19382 7911 1 19 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.772 1.609 19382 7912 1 19 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.623 -0.809 19382 7913 1 19 . 1 1 66 66 ALA H H 66 8.247 8.247 7.813 0.434 19382 7914 1 19 . 1 1 67 67 ARG N N 67 116.529 116.529 115.773 0.756 19382 7915 1 19 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.275 -0.169 19382 7916 1 19 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.840 2.094 19382 7917 1 19 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.408 -0.256 19382 7918 1 19 . 1 1 67 67 ARG H H 67 7.803 7.803 7.587 0.216 19382 7919 1 19 . 1 1 68 68 ASP N N 68 116.394 116.394 119.218 -2.824 19382 7920 1 19 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.652 0.080 19382 7921 1 19 . 1 1 68 68 ASP CB C 68 42.683 42.683 42.805 -0.122 19382 7922 1 19 . 1 1 68 68 ASP H H 68 7.800 7.800 8.136 -0.336 19382 7923 1 19 . 1 1 69 69 MET N N 69 111.832 111.832 117.181 -5.349 19382 7924 1 19 . 1 1 69 69 MET HA H 69 4.902 4.902 4.425 0.477 19382 7925 1 19 . 1 1 69 69 MET CA C 69 53.703 53.703 54.858 -1.155 19382 7926 1 19 . 1 1 69 69 MET CB C 69 32.130 32.130 32.466 -0.336 19382 7927 1 19 . 1 1 69 69 MET H H 69 8.203 8.203 8.164 0.039 19382 7928 1 19 . 1 1 70 70 ASN N N 70 116.507 116.507 118.221 -1.714 19382 7929 1 19 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.519 -0.060 19382 7930 1 19 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.764 2.209 19382 7931 1 19 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.094 0.677 19382 7932 1 19 . 1 1 70 70 ASN H H 70 7.724 7.724 7.752 -0.028 19382 7933 1 19 . 1 1 71 71 GLY N N 71 117.038 117.038 114.669 2.369 19382 7934 1 19 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.158 0.787 19382 7935 1 19 . 1 1 71 71 GLY H H 71 9.065 9.065 8.868 0.197 19382 7936 1 19 . 1 1 72 72 LYS N N 72 120.950 120.950 120.594 0.356 19382 7937 1 19 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.569 -0.134 19382 7938 1 19 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.793 0.631 19382 7939 1 19 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.622 -0.566 19382 7940 1 19 . 1 1 72 72 LYS H H 72 7.949 7.949 7.523 0.426 19382 7941 1 19 . 1 1 73 73 SER N N 73 112.847 112.847 113.638 -0.791 19382 7942 1 19 . 1 1 73 73 SER HA H 73 5.076 5.076 5.132 -0.056 19382 7943 1 19 . 1 1 73 73 SER CA C 73 57.821 57.821 56.773 1.048 19382 7944 1 19 . 1 1 73 73 SER CB C 73 64.481 64.481 64.977 -0.496 19382 7945 1 19 . 1 1 73 73 SER H H 73 8.078 8.078 8.332 -0.254 19382 7946 1 19 . 1 1 74 74 LEU N N 74 127.515 127.515 124.640 2.875 19382 7947 1 19 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.659 -0.068 19382 7948 1 19 . 1 1 74 74 LEU CA C 74 54.810 54.810 54.748 0.062 19382 7949 1 19 . 1 1 74 74 LEU CB C 74 44.722 44.722 45.913 -1.191 19382 7950 1 19 . 1 1 74 74 LEU H H 74 9.069 9.069 8.795 0.274 19382 7951 1 19 . 1 1 75 75 ASP N N 75 128.803 128.803 123.759 5.044 19382 7952 1 19 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.224 0.117 19382 7953 1 19 . 1 1 75 75 ASP CA C 75 55.686 55.686 56.288 -0.602 19382 7954 1 19 . 1 1 75 75 ASP CB C 75 39.429 39.429 40.851 -1.422 19382 7955 1 19 . 1 1 75 75 ASP H H 75 9.565 9.565 9.201 0.364 19382 7956 1 19 . 1 1 76 76 GLY N N 76 101.959 101.959 104.712 -2.753 19382 7957 1 19 . 1 1 76 76 GLY CA C 76 45.659 45.659 44.994 0.665 19382 7958 1 19 . 1 1 76 76 GLY H H 76 8.447 8.447 8.194 0.253 19382 7959 1 19 . 1 1 77 77 LYS N N 77 120.026 120.026 122.318 -2.292 19382 7960 1 19 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.757 -0.045 19382 7961 1 19 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.565 0.337 19382 7962 1 19 . 1 1 77 77 LYS H H 77 7.417 7.417 8.013 -0.596 19382 7963 1 19 . 1 1 78 78 ALA N N 78 125.190 125.190 126.910 -1.720 19382 7964 1 19 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.813 -0.276 19382 7965 1 19 . 1 1 78 78 ALA CA C 78 51.602 51.602 51.978 -0.376 19382 7966 1 19 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.455 -1.227 19382 7967 1 19 . 1 1 78 78 ALA H H 78 8.304 8.304 8.653 -0.349 19382 7968 1 19 . 1 1 79 79 ILE N N 79 119.566 119.566 115.606 3.960 19382 7969 1 19 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.140 -0.297 19382 7970 1 19 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.936 1.841 19382 7971 1 19 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.103 -1.549 19382 7972 1 19 . 1 1 79 79 ILE H H 79 8.293 8.293 8.669 -0.376 19382 7973 1 19 . 1 1 80 80 LYS N N 80 123.948 123.948 121.924 2.024 19382 7974 1 19 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.070 -0.067 19382 7975 1 19 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.327 0.001 19382 7976 1 19 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.078 -1.108 19382 7977 1 19 . 1 1 80 80 LYS H H 80 8.552 8.552 8.817 -0.265 19382 7978 1 19 . 1 1 81 81 VAL N N 81 123.950 123.950 123.210 0.740 19382 7979 1 19 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.197 0.103 19382 7980 1 19 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.591 0.432 19382 7981 1 19 . 1 1 81 81 VAL CB C 81 34.701 34.701 35.029 -0.328 19382 7982 1 19 . 1 1 81 81 VAL H H 81 8.753 8.753 8.675 0.078 19382 7983 1 19 . 1 1 82 82 GLU N N 82 123.264 123.264 124.123 -0.859 19382 7984 1 19 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.670 0.083 19382 7985 1 19 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.503 1.470 19382 7986 1 19 . 1 1 82 82 GLU H H 82 9.060 9.060 8.484 0.576 19382 7987 1 19 . 1 1 83 83 GLN N N 83 121.972 121.972 121.805 0.167 19382 7988 1 19 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.451 -0.113 19382 7989 1 19 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.197 1.167 19382 7990 1 19 . 1 1 83 83 GLN CB C 83 28.986 28.986 29.075 -0.089 19382 7991 1 19 . 1 1 83 83 GLN H H 83 8.790 8.790 8.549 0.241 19382 7992 1 19 . 1 1 84 84 ALA N N 84 129.351 129.351 130.829 -1.478 19382 7993 1 19 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.414 0.862 19382 7994 1 19 . 1 1 84 84 ALA CA C 84 52.862 52.862 53.011 -0.149 19382 7995 1 19 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.312 -0.551 19382 7996 1 19 . 1 1 84 84 ALA H H 84 9.051 9.051 8.158 0.893 19382 7997 1 19 . 1 1 85 85 THR HA H 85 4.767 4.767 4.554 0.213 19382 7998 1 19 . 1 1 85 85 THR CB C 85 70.557 70.557 70.629 -0.072 19382 7999 1 19 . 1 1 86 86 LYS N N 86 120.733 120.733 121.102 -0.369 19382 8000 1 19 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.499 -0.039 19382 8001 1 19 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.851 0.462 19382 8002 1 19 . 1 1 86 86 LYS H H 86 8.517 8.517 8.593 -0.076 19382 8003 1 19 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.557 -0.124 19382 8004 1 19 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.981 0.115 19382 8005 1 19 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.319 -0.201 19382 8006 1 19 . 1 1 88 88 SER N N 88 117.293 117.293 113.782 3.511 19382 8007 1 19 . 1 1 88 88 SER HA H 88 4.262 4.262 4.558 -0.296 19382 8008 1 19 . 1 1 88 88 SER CA C 88 59.204 59.204 58.630 0.574 19382 8009 1 19 . 1 1 88 88 SER CB C 88 63.891 63.891 64.117 -0.226 19382 8010 1 19 . 1 1 88 88 SER H H 88 8.508 8.508 8.564 -0.056 19382 8011 1 19 . 1 1 89 89 PHE N N 89 120.710 120.710 119.612 1.098 19382 8012 1 19 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.779 -0.136 19382 8013 1 19 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.865 0.604 19382 8014 1 19 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.867 0.373 19382 8015 1 19 . 1 1 89 89 PHE H H 89 7.930 7.930 8.030 -0.100 19382 8016 1 19 . 1 1 90 90 GLU N N 90 121.794 121.794 120.675 1.119 19382 8017 1 19 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.379 -0.092 19382 8018 1 19 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.831 0.870 19382 8019 1 19 . 1 1 90 90 GLU CB C 90 30.383 30.383 32.092 -1.709 19382 8020 1 19 . 1 1 90 90 GLU H H 90 8.099 8.099 7.719 0.380 19382 8021 1 19 . 1 1 91 91 SER N N 91 116.607 116.607 116.865 -0.258 19382 8022 1 19 . 1 1 91 91 SER HA H 91 4.419 4.419 4.589 -0.170 19382 8023 1 19 . 1 1 91 91 SER CA C 91 59.090 59.090 58.005 1.085 19382 8024 1 19 . 1 1 91 91 SER CB C 91 64.011 64.011 64.496 -0.485 19382 8025 1 19 . 1 1 91 91 SER H H 91 8.194 8.194 8.504 -0.310 19382 8026 1 19 . 1 1 92 92 GLY N N 92 110.531 110.531 109.791 0.740 19382 8027 1 19 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.249 0.244 19382 8028 1 19 . 1 1 92 92 GLY H H 92 8.395 8.395 7.828 0.567 19382 8029 1 19 . 1 1 93 93 ARG N N 93 120.515 120.515 120.481 0.034 19382 8030 1 19 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.010 0.388 19382 8031 1 19 . 1 1 93 93 ARG CA C 93 56.203 56.203 56.705 -0.502 19382 8032 1 19 . 1 1 93 93 ARG CB C 93 31.056 31.056 29.026 2.030 19382 8033 1 19 . 1 1 93 93 ARG H H 93 8.046 8.046 8.462 -0.416 19382 8034 1 19 . 1 1 94 94 ARG N N 94 123.050 123.050 118.184 4.866 19382 8035 1 19 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.464 -0.056 19382 8036 1 19 . 1 1 94 94 ARG CB C 94 31.051 31.051 32.690 -1.639 19382 8037 1 19 . 1 1 94 94 ARG H H 94 8.403 8.403 7.662 0.741 19382 8038 1 20 . 1 1 2 2 VAL N N 2 120.711 120.711 127.733 -7.022 19382 8039 1 20 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.348 -0.108 19382 8040 1 20 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.116 -0.284 19382 8041 1 20 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.232 1.089 19382 8042 1 20 . 1 1 2 2 VAL H H 2 8.063 8.063 8.354 -0.291 19382 8043 1 20 . 1 1 3 3 GLU N N 3 124.381 124.381 128.020 -3.639 19382 8044 1 20 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.627 -0.195 19382 8045 1 20 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.378 0.282 19382 8046 1 20 . 1 1 3 3 GLU CB C 3 31.558 31.558 32.163 -0.605 19382 8047 1 20 . 1 1 3 3 GLU H H 3 8.589 8.589 8.378 0.211 19382 8048 1 20 . 1 1 4 4 ALA N N 4 124.910 124.910 127.047 -2.137 19382 8049 1 20 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.601 -0.317 19382 8050 1 20 . 1 1 4 4 ALA CA C 4 53.537 53.537 51.310 2.227 19382 8051 1 20 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.736 -1.201 19382 8052 1 20 . 1 1 4 4 ALA H H 4 8.442 8.442 8.369 0.073 19382 8053 1 20 . 1 1 5 5 ASP N N 5 119.622 119.622 124.041 -4.419 19382 8054 1 20 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.473 0.170 19382 8055 1 20 . 1 1 5 5 ASP CB C 5 42.674 42.674 42.508 0.166 19382 8056 1 20 . 1 1 5 5 ASP H H 5 8.363 8.363 8.444 -0.081 19382 8057 1 20 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.107 0.544 19382 8058 1 20 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.806 0.259 19382 8059 1 20 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.895 0.029 19382 8060 1 20 . 1 1 8 8 GLY N N 8 110.020 110.020 107.879 2.141 19382 8061 1 20 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.077 0.296 19382 8062 1 20 . 1 1 8 8 GLY H H 8 8.879 8.879 8.535 0.344 19382 8063 1 20 . 1 1 9 9 LYS N N 9 121.894 121.894 123.483 -1.589 19382 8064 1 20 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.474 -0.337 19382 8065 1 20 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.253 0.775 19382 8066 1 20 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.516 0.672 19382 8067 1 20 . 1 1 9 9 LYS H H 9 8.011 8.011 7.470 0.541 19382 8068 1 20 . 1 1 10 10 LEU N N 10 127.289 127.289 126.486 0.803 19382 8069 1 20 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.342 -0.362 19382 8070 1 20 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.133 0.361 19382 8071 1 20 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.697 -1.204 19382 8072 1 20 . 1 1 10 10 LEU H H 10 9.536 9.536 9.092 0.444 19382 8073 1 20 . 1 1 11 11 PHE N N 11 123.068 123.068 123.069 -0.001 19382 8074 1 20 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.810 -0.392 19382 8075 1 20 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.742 1.426 19382 8076 1 20 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.282 -1.077 19382 8077 1 20 . 1 1 11 11 PHE H H 11 9.386 9.386 9.314 0.072 19382 8078 1 20 . 1 1 12 12 ILE N N 12 127.476 127.476 126.885 0.591 19382 8079 1 20 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.704 0.109 19382 8080 1 20 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.744 2.047 19382 8081 1 20 . 1 1 12 12 ILE H H 12 7.949 7.949 8.073 -0.124 19382 8082 1 20 . 1 1 13 13 GLY N N 13 110.661 110.661 110.509 0.152 19382 8083 1 20 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.453 0.297 19382 8084 1 20 . 1 1 13 13 GLY H H 13 8.939 8.939 7.561 1.378 19382 8085 1 20 . 1 1 14 14 GLY N N 14 107.213 107.213 111.969 -4.756 19382 8086 1 20 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.779 0.997 19382 8087 1 20 . 1 1 14 14 GLY H H 14 8.126 8.126 8.635 -0.509 19382 8088 1 20 . 1 1 15 15 LEU N N 15 115.288 115.288 119.515 -4.227 19382 8089 1 20 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.150 -0.093 19382 8090 1 20 . 1 1 15 15 LEU CA C 15 54.639 54.639 54.965 -0.326 19382 8091 1 20 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.240 1.055 19382 8092 1 20 . 1 1 15 15 LEU H H 15 7.621 7.621 7.853 -0.232 19382 8093 1 20 . 1 1 16 16 ASN N N 16 120.674 120.674 117.998 2.676 19382 8094 1 20 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.708 -0.135 19382 8095 1 20 . 1 1 16 16 ASN CB C 16 38.631 38.631 39.990 -1.359 19382 8096 1 20 . 1 1 16 16 ASN H H 16 9.597 9.597 8.324 1.273 19382 8097 1 20 . 1 1 17 17 THR N N 17 122.538 122.538 112.164 10.374 19382 8098 1 20 . 1 1 17 17 THR HA H 17 3.900 3.900 4.144 -0.244 19382 8099 1 20 . 1 1 17 17 THR CA C 17 65.542 65.542 64.316 1.226 19382 8100 1 20 . 1 1 17 17 THR CB C 17 68.594 68.594 69.100 -0.506 19382 8101 1 20 . 1 1 17 17 THR H H 17 8.807 8.807 8.408 0.399 19382 8102 1 20 . 1 1 18 18 GLU N N 18 118.149 118.149 117.918 0.231 19382 8103 1 20 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.465 -0.104 19382 8104 1 20 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.846 0.567 19382 8105 1 20 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.711 0.203 19382 8106 1 20 . 1 1 18 18 GLU H H 18 8.757 8.757 8.168 0.589 19382 8107 1 20 . 1 1 19 19 THR N N 19 119.146 119.146 119.014 0.132 19382 8108 1 20 . 1 1 19 19 THR HA H 19 4.088 4.088 4.258 -0.170 19382 8109 1 20 . 1 1 19 19 THR CA C 19 64.959 64.959 63.091 1.868 19382 8110 1 20 . 1 1 19 19 THR CB C 19 68.536 68.536 69.592 -1.056 19382 8111 1 20 . 1 1 19 19 THR H H 19 7.627 7.627 7.599 0.028 19382 8112 1 20 . 1 1 20 20 ASN N N 20 126.361 126.361 121.683 4.678 19382 8113 1 20 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.871 0.045 19382 8114 1 20 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.982 -0.984 19382 8115 1 20 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.090 -0.736 19382 8116 1 20 . 1 1 20 20 ASN H H 20 8.076 8.076 8.492 -0.416 19382 8117 1 20 . 1 1 21 21 GLU N N 21 118.317 118.317 121.274 -2.957 19382 8118 1 20 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.035 -0.314 19382 8119 1 20 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.030 1.790 19382 8120 1 20 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.588 -0.717 19382 8121 1 20 . 1 1 21 21 GLU H H 21 10.233 10.233 8.742 1.491 19382 8122 1 20 . 1 1 22 22 LYS N N 22 118.930 118.930 119.415 -0.485 19382 8123 1 20 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.121 0.043 19382 8124 1 20 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.643 0.152 19382 8125 1 20 . 1 1 22 22 LYS CB C 22 31.727 31.727 31.937 -0.210 19382 8126 1 20 . 1 1 22 22 LYS H H 22 7.920 7.920 8.362 -0.442 19382 8127 1 20 . 1 1 23 23 ALA N N 23 123.201 123.201 121.028 2.173 19382 8128 1 20 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.253 0.070 19382 8129 1 20 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.503 0.518 19382 8130 1 20 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.356 0.668 19382 8131 1 20 . 1 1 23 23 ALA H H 23 7.915 7.915 7.539 0.376 19382 8132 1 20 . 1 1 24 24 LEU N N 24 116.213 116.213 118.600 -2.387 19382 8133 1 20 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.324 -0.157 19382 8134 1 20 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.223 0.872 19382 8135 1 20 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.321 0.137 19382 8136 1 20 . 1 1 24 24 LEU H H 24 7.760 7.760 7.275 0.485 19382 8137 1 20 . 1 1 25 25 GLU N N 25 119.637 119.637 118.735 0.902 19382 8138 1 20 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.063 -0.300 19382 8139 1 20 . 1 1 25 25 GLU CA C 25 60.215 60.215 59.011 1.204 19382 8140 1 20 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.662 0.187 19382 8141 1 20 . 1 1 25 25 GLU H H 25 8.545 8.545 8.687 -0.142 19382 8142 1 20 . 1 1 26 26 ALA N N 26 121.001 121.001 120.407 0.594 19382 8143 1 20 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.258 -0.060 19382 8144 1 20 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.330 0.751 19382 8145 1 20 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.943 -0.524 19382 8146 1 20 . 1 1 26 26 ALA H H 26 7.975 7.975 7.498 0.477 19382 8147 1 20 . 1 1 27 27 VAL N N 27 115.732 115.732 116.215 -0.483 19382 8148 1 20 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.981 -0.038 19382 8149 1 20 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.318 0.929 19382 8150 1 20 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.928 -0.174 19382 8151 1 20 . 1 1 27 27 VAL H H 27 7.817 7.817 7.502 0.315 19382 8152 1 20 . 1 1 28 28 PHE N N 28 115.329 115.329 117.922 -2.593 19382 8153 1 20 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.969 -0.327 19382 8154 1 20 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.582 3.120 19382 8155 1 20 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.438 -1.154 19382 8156 1 20 . 1 1 28 28 PHE H H 28 8.607 8.607 7.851 0.756 19382 8157 1 20 . 1 1 29 29 GLY N N 29 108.306 108.306 107.239 1.067 19382 8158 1 20 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.627 0.777 19382 8159 1 20 . 1 1 29 29 GLY H H 29 8.425 8.425 7.785 0.640 19382 8160 1 20 . 1 1 30 30 LYS N N 30 117.374 117.374 118.844 -1.470 19382 8161 1 20 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.079 0.017 19382 8162 1 20 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.450 0.443 19382 8163 1 20 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.759 0.237 19382 8164 1 20 . 1 1 30 30 LYS H H 30 6.970 6.970 7.691 -0.721 19382 8165 1 20 . 1 1 31 31 TYR N N 31 115.689 115.689 117.054 -1.365 19382 8166 1 20 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.791 -0.496 19382 8167 1 20 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.636 1.177 19382 8168 1 20 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.870 -2.077 19382 8169 1 20 . 1 1 31 31 TYR H H 31 7.741 7.741 7.600 0.141 19382 8170 1 20 . 1 1 32 32 GLY N N 32 104.475 104.475 104.533 -0.058 19382 8171 1 20 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.452 -0.856 19382 8172 1 20 . 1 1 32 32 GLY H H 32 7.401 7.401 7.502 -0.101 19382 8173 1 20 . 1 1 33 33 ARG N N 33 116.936 116.936 120.997 -4.061 19382 8174 1 20 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.425 -0.143 19382 8175 1 20 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.943 1.960 19382 8176 1 20 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.099 -0.346 19382 8177 1 20 . 1 1 33 33 ARG H H 33 8.286 8.286 8.492 -0.206 19382 8178 1 20 . 1 1 34 34 ILE N N 34 128.703 128.703 126.349 2.354 19382 8179 1 20 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.969 0.059 19382 8180 1 20 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.544 -1.693 19382 8181 1 20 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.644 1.294 19382 8182 1 20 . 1 1 34 34 ILE H H 34 8.797 8.797 8.464 0.333 19382 8183 1 20 . 1 1 35 35 VAL N N 35 122.207 122.207 122.804 -0.597 19382 8184 1 20 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.308 -0.031 19382 8185 1 20 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.519 -0.131 19382 8186 1 20 . 1 1 35 35 VAL CB C 35 33.054 33.054 32.993 0.061 19382 8187 1 20 . 1 1 35 35 VAL H H 35 8.859 8.859 8.959 -0.100 19382 8188 1 20 . 1 1 36 36 GLU N N 36 118.922 118.922 119.204 -0.282 19382 8189 1 20 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.528 0.007 19382 8190 1 20 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.997 0.847 19382 8191 1 20 . 1 1 36 36 GLU CB C 36 34.132 34.132 32.960 1.172 19382 8192 1 20 . 1 1 36 36 GLU H H 36 7.228 7.228 7.654 -0.426 19382 8193 1 20 . 1 1 37 37 VAL N N 37 126.068 126.068 122.991 3.077 19382 8194 1 20 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.382 0.038 19382 8195 1 20 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.400 1.010 19382 8196 1 20 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.899 -0.991 19382 8197 1 20 . 1 1 37 37 VAL H H 37 8.607 8.607 8.541 0.066 19382 8198 1 20 . 1 1 38 38 LEU N N 38 129.638 129.638 125.833 3.805 19382 8199 1 20 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.829 -0.037 19382 8200 1 20 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.767 -0.372 19382 8201 1 20 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.723 -1.185 19382 8202 1 20 . 1 1 38 38 LEU H H 38 9.052 9.052 8.989 0.063 19382 8203 1 20 . 1 1 39 39 LEU N N 39 128.599 128.599 123.353 5.246 19382 8204 1 20 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.500 -0.100 19382 8205 1 20 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.371 -0.374 19382 8206 1 20 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.641 -0.409 19382 8207 1 20 . 1 1 39 39 LEU H H 39 9.030 9.030 8.351 0.679 19382 8208 1 20 . 1 1 40 40 MET N N 40 125.937 125.937 124.941 0.996 19382 8209 1 20 . 1 1 40 40 MET HA H 40 4.595 4.595 4.737 -0.142 19382 8210 1 20 . 1 1 40 40 MET CA C 40 54.617 54.617 53.237 1.380 19382 8211 1 20 . 1 1 40 40 MET CB C 40 29.778 29.778 32.574 -2.796 19382 8212 1 20 . 1 1 40 40 MET H H 40 7.848 7.848 8.306 -0.458 19382 8213 1 20 . 1 1 41 41 LYS N N 41 122.049 122.049 121.198 0.851 19382 8214 1 20 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.553 0.358 19382 8215 1 20 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.653 0.055 19382 8216 1 20 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.061 1.281 19382 8217 1 20 . 1 1 41 41 LYS H H 41 8.444 8.444 8.264 0.180 19382 8218 1 20 . 1 1 42 42 ASP N N 42 123.896 123.896 120.764 3.132 19382 8219 1 20 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.531 0.154 19382 8220 1 20 . 1 1 42 42 ASP CB C 42 43.050 43.050 42.473 0.577 19382 8221 1 20 . 1 1 42 42 ASP H H 42 8.864 8.864 8.858 0.006 19382 8222 1 20 . 1 1 43 43 ARG N N 43 126.892 126.892 122.570 4.322 19382 8223 1 20 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.389 -0.234 19382 8224 1 20 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.283 1.507 19382 8225 1 20 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.513 -0.183 19382 8226 1 20 . 1 1 43 43 ARG H H 43 8.983 8.983 8.655 0.328 19382 8227 1 20 . 1 1 44 44 GLU N N 44 117.468 117.468 118.881 -1.413 19382 8228 1 20 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.468 -0.097 19382 8229 1 20 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.046 1.637 19382 8230 1 20 . 1 1 44 44 GLU CB C 44 30.160 30.160 31.260 -1.100 19382 8231 1 20 . 1 1 44 44 GLU H H 44 8.687 8.687 9.093 -0.406 19382 8232 1 20 . 1 1 45 45 THR N N 45 107.088 107.088 109.891 -2.803 19382 8233 1 20 . 1 1 45 45 THR HA H 45 4.447 4.447 4.452 -0.005 19382 8234 1 20 . 1 1 45 45 THR CA C 45 61.838 61.838 61.300 0.538 19382 8235 1 20 . 1 1 45 45 THR CB C 45 71.163 71.163 70.343 0.820 19382 8236 1 20 . 1 1 45 45 THR H H 45 8.172 8.172 7.831 0.341 19382 8237 1 20 . 1 1 46 46 ASN N N 46 117.525 117.525 119.166 -1.641 19382 8238 1 20 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.413 0.083 19382 8239 1 20 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.671 0.356 19382 8240 1 20 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.396 1.145 19382 8241 1 20 . 1 1 46 46 ASN H H 46 8.389 8.389 7.933 0.456 19382 8242 1 20 . 1 1 47 47 LYS N N 47 117.695 117.695 118.400 -0.705 19382 8243 1 20 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.208 0.249 19382 8244 1 20 . 1 1 47 47 LYS CA C 47 55.547 55.547 57.628 -2.081 19382 8245 1 20 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.209 0.859 19382 8246 1 20 . 1 1 47 47 LYS H H 47 7.649 7.649 7.613 0.036 19382 8247 1 20 . 1 1 48 48 SER N N 48 116.260 116.260 110.133 6.127 19382 8248 1 20 . 1 1 48 48 SER HA H 48 4.384 4.384 4.714 -0.330 19382 8249 1 20 . 1 1 48 48 SER CA C 48 58.462 58.462 56.669 1.793 19382 8250 1 20 . 1 1 48 48 SER CB C 48 64.621 64.621 64.818 -0.197 19382 8251 1 20 . 1 1 48 48 SER H H 48 8.787 8.787 8.201 0.586 19382 8252 1 20 . 1 1 49 49 ARG N N 49 124.026 124.026 123.830 0.196 19382 8253 1 20 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.388 0.071 19382 8254 1 20 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.321 0.420 19382 8255 1 20 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.465 1.435 19382 8256 1 20 . 1 1 49 49 ARG H H 49 9.079 9.079 8.811 0.268 19382 8257 1 20 . 1 1 50 50 GLY N N 50 106.539 106.539 107.340 -0.801 19382 8258 1 20 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.602 0.246 19382 8259 1 20 . 1 1 50 50 GLY H H 50 9.178 9.178 8.135 1.043 19382 8260 1 20 . 1 1 51 51 PHE N N 51 112.056 112.056 115.783 -3.727 19382 8261 1 20 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.625 -0.329 19382 8262 1 20 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.029 1.084 19382 8263 1 20 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.799 -0.397 19382 8264 1 20 . 1 1 51 51 PHE H H 51 7.004 7.004 7.282 -0.278 19382 8265 1 20 . 1 1 52 52 ALA N N 52 120.974 120.974 120.582 0.392 19382 8266 1 20 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.855 -0.016 19382 8267 1 20 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.102 -1.436 19382 8268 1 20 . 1 1 52 52 ALA CB C 52 25.592 25.592 21.997 3.595 19382 8269 1 20 . 1 1 52 52 ALA H H 52 8.832 8.832 7.606 1.226 19382 8270 1 20 . 1 1 53 53 PHE N N 53 113.680 113.680 115.455 -1.775 19382 8271 1 20 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.715 -0.042 19382 8272 1 20 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.670 -0.530 19382 8273 1 20 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.358 -1.697 19382 8274 1 20 . 1 1 53 53 PHE H H 53 8.710 8.710 7.949 0.761 19382 8275 1 20 . 1 1 54 54 VAL N N 54 124.889 124.889 119.307 5.582 19382 8276 1 20 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.709 -0.029 19382 8277 1 20 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.303 0.040 19382 8278 1 20 . 1 1 54 54 VAL H H 54 8.800 8.800 8.576 0.224 19382 8279 1 20 . 1 1 55 55 THR N N 55 123.052 123.052 124.575 -1.523 19382 8280 1 20 . 1 1 55 55 THR HA H 55 5.159 5.159 5.376 -0.217 19382 8281 1 20 . 1 1 55 55 THR CA C 55 61.912 61.912 61.651 0.261 19382 8282 1 20 . 1 1 55 55 THR CB C 55 69.698 69.698 69.713 -0.015 19382 8283 1 20 . 1 1 55 55 THR H H 55 8.943 8.943 8.979 -0.036 19382 8284 1 20 . 1 1 56 56 PHE N N 56 128.514 128.514 126.041 2.473 19382 8285 1 20 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.933 -0.118 19382 8286 1 20 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.004 1.290 19382 8287 1 20 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.479 0.187 19382 8288 1 20 . 1 1 56 56 PHE H H 56 8.917 8.917 9.403 -0.486 19382 8289 1 20 . 1 1 57 57 GLU N N 57 121.809 121.809 121.498 0.311 19382 8290 1 20 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.220 -0.268 19382 8291 1 20 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.661 0.841 19382 8292 1 20 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.432 0.119 19382 8293 1 20 . 1 1 57 57 GLU H H 57 8.240 8.240 8.793 -0.553 19382 8294 1 20 . 1 1 58 58 SER N N 58 112.478 112.478 112.716 -0.238 19382 8295 1 20 . 1 1 58 58 SER HA H 58 5.333 5.333 4.991 0.342 19382 8296 1 20 . 1 1 58 58 SER CA C 58 53.261 53.261 54.124 -0.863 19382 8297 1 20 . 1 1 58 58 SER CB C 58 64.505 64.505 64.761 -0.256 19382 8298 1 20 . 1 1 58 58 SER H H 58 9.461 9.461 7.654 1.807 19382 8299 1 20 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.585 -0.437 19382 8300 1 20 . 1 1 59 59 PRO CA C 59 65.069 65.069 63.826 1.243 19382 8301 1 20 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.878 0.524 19382 8302 1 20 . 1 1 60 60 ALA N N 60 120.882 120.882 121.200 -0.318 19382 8303 1 20 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.444 -0.346 19382 8304 1 20 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.987 2.368 19382 8305 1 20 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.710 -1.297 19382 8306 1 20 . 1 1 60 60 ALA H H 60 7.957 7.957 7.586 0.371 19382 8307 1 20 . 1 1 61 61 ASP N N 61 120.196 120.196 120.464 -0.268 19382 8308 1 20 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.488 -0.184 19382 8309 1 20 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.081 -0.109 19382 8310 1 20 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.528 -0.240 19382 8311 1 20 . 1 1 61 61 ASP H H 61 7.157 7.157 7.767 -0.610 19382 8312 1 20 . 1 1 62 62 ALA N N 62 119.636 119.636 121.163 -1.527 19382 8313 1 20 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.578 0.689 19382 8314 1 20 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.379 -0.012 19382 8315 1 20 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.125 0.879 19382 8316 1 20 . 1 1 62 62 ALA H H 62 6.901 6.901 7.276 -0.375 19382 8317 1 20 . 1 1 63 63 LYS N N 63 117.322 117.322 118.463 -1.141 19382 8318 1 20 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.874 0.101 19382 8319 1 20 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.401 0.237 19382 8320 1 20 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.128 -0.082 19382 8321 1 20 . 1 1 63 63 LYS H H 63 7.605 7.605 7.698 -0.093 19382 8322 1 20 . 1 1 64 64 ASP N N 64 120.944 120.944 118.024 2.920 19382 8323 1 20 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.397 -0.033 19382 8324 1 20 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.428 1.067 19382 8325 1 20 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.949 -0.445 19382 8326 1 20 . 1 1 64 64 ASP H H 64 7.488 7.488 7.744 -0.256 19382 8327 1 20 . 1 1 65 65 ALA N N 65 122.197 122.197 120.193 2.004 19382 8328 1 20 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.837 -0.484 19382 8329 1 20 . 1 1 65 65 ALA CA C 65 54.483 54.483 53.979 0.504 19382 8330 1 20 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.182 0.670 19382 8331 1 20 . 1 1 65 65 ALA H H 65 7.806 7.806 7.102 0.704 19382 8332 1 20 . 1 1 66 66 ALA N N 66 118.722 118.722 119.091 -0.369 19382 8333 1 20 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.143 -0.284 19382 8334 1 20 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.657 1.724 19382 8335 1 20 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.603 -0.789 19382 8336 1 20 . 1 1 66 66 ALA H H 66 8.247 8.247 7.818 0.429 19382 8337 1 20 . 1 1 67 67 ARG N N 67 116.529 116.529 116.093 0.436 19382 8338 1 20 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.407 -0.301 19382 8339 1 20 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.221 2.713 19382 8340 1 20 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.227 -0.075 19382 8341 1 20 . 1 1 67 67 ARG H H 67 7.803 7.803 7.757 0.046 19382 8342 1 20 . 1 1 68 68 ASP N N 68 116.394 116.394 119.252 -2.858 19382 8343 1 20 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.683 0.049 19382 8344 1 20 . 1 1 68 68 ASP CB C 68 42.683 42.683 42.730 -0.047 19382 8345 1 20 . 1 1 68 68 ASP H H 68 7.800 7.800 8.206 -0.406 19382 8346 1 20 . 1 1 69 69 MET N N 69 111.832 111.832 117.623 -5.791 19382 8347 1 20 . 1 1 69 69 MET HA H 69 4.902 4.902 4.412 0.490 19382 8348 1 20 . 1 1 69 69 MET CA C 69 53.703 53.703 54.681 -0.978 19382 8349 1 20 . 1 1 69 69 MET CB C 69 32.130 32.130 32.397 -0.267 19382 8350 1 20 . 1 1 69 69 MET H H 69 8.203 8.203 8.011 0.192 19382 8351 1 20 . 1 1 70 70 ASN N N 70 116.507 116.507 117.816 -1.309 19382 8352 1 20 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.507 -0.048 19382 8353 1 20 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.744 2.229 19382 8354 1 20 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.529 0.242 19382 8355 1 20 . 1 1 70 70 ASN H H 70 7.724 7.724 7.664 0.060 19382 8356 1 20 . 1 1 71 71 GLY N N 71 117.038 117.038 113.846 3.192 19382 8357 1 20 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.570 0.375 19382 8358 1 20 . 1 1 71 71 GLY H H 71 9.065 9.065 8.266 0.799 19382 8359 1 20 . 1 1 72 72 LYS N N 72 120.950 120.950 120.549 0.401 19382 8360 1 20 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.564 -0.129 19382 8361 1 20 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.785 0.639 19382 8362 1 20 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.645 -0.589 19382 8363 1 20 . 1 1 72 72 LYS H H 72 7.949 7.949 7.592 0.357 19382 8364 1 20 . 1 1 73 73 SER N N 73 112.847 112.847 112.906 -0.059 19382 8365 1 20 . 1 1 73 73 SER HA H 73 5.076 5.076 5.003 0.073 19382 8366 1 20 . 1 1 73 73 SER CA C 73 57.821 57.821 56.609 1.212 19382 8367 1 20 . 1 1 73 73 SER CB C 73 64.481 64.481 64.732 -0.251 19382 8368 1 20 . 1 1 73 73 SER H H 73 8.078 8.078 8.373 -0.295 19382 8369 1 20 . 1 1 74 74 LEU N N 74 127.515 127.515 124.330 3.185 19382 8370 1 20 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.653 -0.062 19382 8371 1 20 . 1 1 74 74 LEU CA C 74 54.810 54.810 55.987 -1.177 19382 8372 1 20 . 1 1 74 74 LEU CB C 74 44.722 44.722 43.208 1.514 19382 8373 1 20 . 1 1 74 74 LEU H H 74 9.069 9.069 8.453 0.616 19382 8374 1 20 . 1 1 75 75 ASP N N 75 128.803 128.803 116.312 12.491 19382 8375 1 20 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.740 -0.399 19382 8376 1 20 . 1 1 75 75 ASP CA C 75 55.686 55.686 53.642 2.044 19382 8377 1 20 . 1 1 75 75 ASP CB C 75 39.429 39.429 42.191 -2.762 19382 8378 1 20 . 1 1 75 75 ASP H H 75 9.565 9.565 8.296 1.269 19382 8379 1 20 . 1 1 76 76 GLY N N 76 101.959 101.959 106.986 -5.027 19382 8380 1 20 . 1 1 76 76 GLY CA C 76 45.659 45.659 45.303 0.356 19382 8381 1 20 . 1 1 76 76 GLY H H 76 8.447 8.447 7.633 0.814 19382 8382 1 20 . 1 1 77 77 LYS N N 77 120.026 120.026 120.475 -0.449 19382 8383 1 20 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.668 0.044 19382 8384 1 20 . 1 1 77 77 LYS CB C 77 34.902 34.902 33.889 1.013 19382 8385 1 20 . 1 1 77 77 LYS H H 77 7.417 7.417 7.876 -0.459 19382 8386 1 20 . 1 1 78 78 ALA N N 78 125.190 125.190 127.629 -2.439 19382 8387 1 20 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.933 -0.396 19382 8388 1 20 . 1 1 78 78 ALA CA C 78 51.602 51.602 51.585 0.017 19382 8389 1 20 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.579 -1.351 19382 8390 1 20 . 1 1 78 78 ALA H H 78 8.304 8.304 8.694 -0.390 19382 8391 1 20 . 1 1 79 79 ILE N N 79 119.566 119.566 116.912 2.654 19382 8392 1 20 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.264 -0.421 19382 8393 1 20 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.649 2.128 19382 8394 1 20 . 1 1 79 79 ILE CB C 79 40.554 40.554 41.854 -1.300 19382 8395 1 20 . 1 1 79 79 ILE H H 79 8.293 8.293 8.765 -0.472 19382 8396 1 20 . 1 1 80 80 LYS N N 80 123.948 123.948 121.193 2.755 19382 8397 1 20 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.077 -0.074 19382 8398 1 20 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.428 -0.100 19382 8399 1 20 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.325 -1.355 19382 8400 1 20 . 1 1 80 80 LYS H H 80 8.552 8.552 8.786 -0.234 19382 8401 1 20 . 1 1 81 81 VAL N N 81 123.950 123.950 125.110 -1.160 19382 8402 1 20 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.222 0.078 19382 8403 1 20 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.898 0.124 19382 8404 1 20 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.735 -0.034 19382 8405 1 20 . 1 1 81 81 VAL H H 81 8.753 8.753 8.713 0.040 19382 8406 1 20 . 1 1 82 82 GLU N N 82 123.264 123.264 124.042 -0.778 19382 8407 1 20 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.695 0.058 19382 8408 1 20 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.633 1.340 19382 8409 1 20 . 1 1 82 82 GLU H H 82 9.060 9.060 8.301 0.759 19382 8410 1 20 . 1 1 83 83 GLN N N 83 121.972 121.972 122.440 -0.468 19382 8411 1 20 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.495 -0.157 19382 8412 1 20 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.603 0.761 19382 8413 1 20 . 1 1 83 83 GLN CB C 83 28.986 28.986 28.922 0.064 19382 8414 1 20 . 1 1 83 83 GLN H H 83 8.790 8.790 8.464 0.326 19382 8415 1 20 . 1 1 84 84 ALA N N 84 129.351 129.351 130.846 -1.495 19382 8416 1 20 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.673 0.603 19382 8417 1 20 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.112 0.750 19382 8418 1 20 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.832 -1.071 19382 8419 1 20 . 1 1 84 84 ALA H H 84 9.051 9.051 8.505 0.546 19382 8420 1 20 . 1 1 85 85 THR HA H 85 4.767 4.767 4.531 0.236 19382 8421 1 20 . 1 1 85 85 THR CB C 85 70.557 70.557 70.695 -0.138 19382 8422 1 20 . 1 1 86 86 LYS N N 86 120.733 120.733 120.697 0.036 19382 8423 1 20 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.542 -0.082 19382 8424 1 20 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.825 0.488 19382 8425 1 20 . 1 1 86 86 LYS H H 86 8.517 8.517 8.493 0.024 19382 8426 1 20 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.376 0.057 19382 8427 1 20 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.820 0.276 19382 8428 1 20 . 1 1 87 87 PRO CB C 87 32.118 32.118 31.926 0.192 19382 8429 1 20 . 1 1 88 88 SER N N 88 117.293 117.293 113.926 3.367 19382 8430 1 20 . 1 1 88 88 SER HA H 88 4.262 4.262 4.462 -0.200 19382 8431 1 20 . 1 1 88 88 SER CA C 88 59.204 59.204 58.404 0.800 19382 8432 1 20 . 1 1 88 88 SER CB C 88 63.891 63.891 63.930 -0.039 19382 8433 1 20 . 1 1 88 88 SER H H 88 8.508 8.508 8.334 0.174 19382 8434 1 20 . 1 1 89 89 PHE N N 89 120.710 120.710 119.485 1.225 19382 8435 1 20 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.711 -0.068 19382 8436 1 20 . 1 1 89 89 PHE CA C 89 57.469 57.469 57.238 0.231 19382 8437 1 20 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.889 0.351 19382 8438 1 20 . 1 1 89 89 PHE H H 89 7.930 7.930 7.539 0.391 19382 8439 1 20 . 1 1 90 90 GLU N N 90 121.794 121.794 120.065 1.729 19382 8440 1 20 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.548 -0.261 19382 8441 1 20 . 1 1 90 90 GLU CA C 90 56.701 56.701 56.198 0.503 19382 8442 1 20 . 1 1 90 90 GLU CB C 90 30.383 30.383 32.635 -2.252 19382 8443 1 20 . 1 1 90 90 GLU H H 90 8.099 8.099 7.696 0.403 19382 8444 1 20 . 1 1 91 91 SER N N 91 116.607 116.607 117.546 -0.939 19382 8445 1 20 . 1 1 91 91 SER HA H 91 4.419 4.419 4.774 -0.355 19382 8446 1 20 . 1 1 91 91 SER CA C 91 59.090 59.090 58.145 0.945 19382 8447 1 20 . 1 1 91 91 SER CB C 91 64.011 64.011 63.968 0.043 19382 8448 1 20 . 1 1 91 91 SER H H 91 8.194 8.194 8.542 -0.348 19382 8449 1 20 . 1 1 92 92 GLY N N 92 110.531 110.531 109.182 1.349 19382 8450 1 20 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.569 -0.076 19382 8451 1 20 . 1 1 92 92 GLY H H 92 8.395 8.395 8.211 0.184 19382 8452 1 20 . 1 1 93 93 ARG N N 93 120.515 120.515 120.461 0.054 19382 8453 1 20 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.513 -0.115 19382 8454 1 20 . 1 1 93 93 ARG CA C 93 56.203 56.203 55.481 0.722 19382 8455 1 20 . 1 1 93 93 ARG CB C 93 31.056 31.056 31.024 0.032 19382 8456 1 20 . 1 1 93 93 ARG H H 93 8.046 8.046 7.534 0.512 19382 8457 1 20 . 1 1 94 94 ARG N N 94 123.050 123.050 121.095 1.955 19382 8458 1 20 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.044 0.364 19382 8459 1 20 . 1 1 94 94 ARG CB C 94 31.051 31.051 29.917 1.134 19382 8460 1 20 . 1 1 94 94 ARG H H 94 8.403 8.403 8.815 -0.412 19382 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 88 2.875 -0.240 2.881 19382 2 1 1 "Average Difference" HA 100 0.292 0.015 0.293 19382 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19382 4 1 1 "Average Difference" CA 81 1.118 -0.614 0.940 19382 5 1 1 "Average Difference" CB 83 1.047 0.136 1.045 19382 6 1 1 "Average Difference" HN 88 0.516 -0.162 0.493 19382 7 1 2 "Average Difference" N 88 2.679 -0.201 2.687 19382 8 1 2 "Average Difference" HA 100 0.281 0.009 0.282 19382 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19382 10 1 2 "Average Difference" CA 81 1.152 -0.610 0.983 19382 11 1 2 "Average Difference" CB 83 0.999 0.112 0.999 19382 12 1 2 "Average Difference" HN 88 0.527 -0.168 0.502 19382 13 1 3 "Average Difference" N 88 2.738 -0.208 2.745 19382 14 1 3 "Average Difference" HA 100 0.280 0.017 0.281 19382 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19382 16 1 3 "Average Difference" CA 81 1.116 -0.579 0.960 19382 17 1 3 "Average Difference" CB 83 1.058 0.106 1.059 19382 18 1 3 "Average Difference" HN 88 0.525 -0.170 0.499 19382 19 1 4 "Average Difference" N 88 2.778 -0.210 2.785 19382 20 1 4 "Average Difference" HA 100 0.275 0.014 0.276 19382 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19382 22 1 4 "Average Difference" CA 81 1.104 -0.567 0.954 19382 23 1 4 "Average Difference" CB 83 1.011 0.077 1.015 19382 24 1 4 "Average Difference" HN 88 0.510 -0.166 0.485 19382 25 1 5 "Average Difference" N 88 3.037 -0.282 3.042 19382 26 1 5 "Average Difference" HA 100 0.272 0.015 0.273 19382 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19382 28 1 5 "Average Difference" CA 81 1.082 -0.565 0.929 19382 29 1 5 "Average Difference" CB 83 0.996 0.106 0.996 19382 30 1 5 "Average Difference" HN 88 0.526 -0.177 0.499 19382 31 1 6 "Average Difference" N 88 3.053 -0.303 3.055 19382 32 1 6 "Average Difference" HA 100 0.277 0.013 0.278 19382 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19382 34 1 6 "Average Difference" CA 81 1.132 -0.553 0.994 19382 35 1 6 "Average Difference" CB 83 1.150 0.042 1.157 19382 36 1 6 "Average Difference" HN 88 0.560 -0.213 0.520 19382 37 1 7 "Average Difference" N 88 2.659 -0.222 2.665 19382 38 1 7 "Average Difference" HA 100 0.272 0.016 0.273 19382 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19382 40 1 7 "Average Difference" CA 81 1.131 -0.547 0.996 19382 41 1 7 "Average Difference" CB 83 1.005 0.095 1.006 19382 42 1 7 "Average Difference" HN 88 0.528 -0.176 0.501 19382 43 1 8 "Average Difference" N 88 3.045 -0.348 3.042 19382 44 1 8 "Average Difference" HA 100 0.284 0.019 0.284 19382 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19382 46 1 8 "Average Difference" CA 81 1.122 -0.599 0.954 19382 47 1 8 "Average Difference" CB 83 1.140 0.146 1.137 19382 48 1 8 "Average Difference" HN 88 0.547 -0.183 0.518 19382 49 1 9 "Average Difference" N 88 2.622 -0.276 2.622 19382 50 1 9 "Average Difference" HA 100 0.288 0.026 0.288 19382 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19382 52 1 9 "Average Difference" CA 81 1.179 -0.608 1.016 19382 53 1 9 "Average Difference" CB 83 1.070 0.135 1.068 19382 54 1 9 "Average Difference" HN 88 0.533 -0.163 0.510 19382 55 1 10 "Average Difference" N 88 3.001 -0.334 3.000 19382 56 1 10 "Average Difference" HA 100 0.285 0.009 0.286 19382 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19382 58 1 10 "Average Difference" CA 81 1.157 -0.512 1.044 19382 59 1 10 "Average Difference" CB 83 1.120 0.037 1.126 19382 60 1 10 "Average Difference" HN 88 0.542 -0.196 0.508 19382 61 1 11 "Average Difference" N 88 3.005 -0.352 3.002 19382 62 1 11 "Average Difference" HA 100 0.272 0.025 0.272 19382 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19382 64 1 11 "Average Difference" CA 81 1.101 -0.609 0.923 19382 65 1 11 "Average Difference" CB 83 1.018 0.124 1.017 19382 66 1 11 "Average Difference" HN 88 0.517 -0.171 0.491 19382 67 1 12 "Average Difference" N 88 2.713 -0.388 2.700 19382 68 1 12 "Average Difference" HA 100 0.286 0.007 0.288 19382 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19382 70 1 12 "Average Difference" CA 81 1.222 -0.558 1.094 19382 71 1 12 "Average Difference" CB 83 1.187 0.087 1.191 19382 72 1 12 "Average Difference" HN 88 0.517 -0.176 0.488 19382 73 1 13 "Average Difference" N 88 3.018 -0.228 3.027 19382 74 1 13 "Average Difference" HA 100 0.278 0.014 0.279 19382 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19382 76 1 13 "Average Difference" CA 81 1.136 -0.568 0.990 19382 77 1 13 "Average Difference" CB 83 1.127 0.083 1.131 19382 78 1 13 "Average Difference" HN 88 0.550 -0.178 0.523 19382 79 1 14 "Average Difference" N 88 2.826 -0.323 2.823 19382 80 1 14 "Average Difference" HA 100 0.272 0.019 0.272 19382 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19382 82 1 14 "Average Difference" CA 81 1.139 -0.522 1.019 19382 83 1 14 "Average Difference" CB 83 1.052 0.087 1.054 19382 84 1 14 "Average Difference" HN 88 0.518 -0.178 0.489 19382 85 1 15 "Average Difference" N 88 2.699 -0.385 2.687 19382 86 1 15 "Average Difference" HA 100 0.283 0.004 0.284 19382 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19382 88 1 15 "Average Difference" CA 81 1.127 -0.566 0.981 19382 89 1 15 "Average Difference" CB 83 1.010 0.027 1.015 19382 90 1 15 "Average Difference" HN 88 0.540 -0.185 0.510 19382 91 1 16 "Average Difference" N 88 2.602 -0.058 2.616 19382 92 1 16 "Average Difference" HA 100 0.284 0.019 0.285 19382 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19382 94 1 16 "Average Difference" CA 81 1.149 -0.638 0.961 19382 95 1 16 "Average Difference" CB 83 1.061 0.090 1.064 19382 96 1 16 "Average Difference" HN 88 0.525 -0.173 0.499 19382 97 1 17 "Average Difference" N 88 2.696 -0.380 2.684 19382 98 1 17 "Average Difference" HA 100 0.293 0.004 0.295 19382 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19382 100 1 17 "Average Difference" CA 81 1.165 -0.603 1.004 19382 101 1 17 "Average Difference" CB 83 1.017 0.154 1.011 19382 102 1 17 "Average Difference" HN 88 0.539 -0.184 0.510 19382 103 1 18 "Average Difference" N 88 3.077 -0.471 3.058 19382 104 1 18 "Average Difference" HA 100 0.294 0.012 0.295 19382 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19382 106 1 18 "Average Difference" CA 81 1.215 -0.640 1.039 19382 107 1 18 "Average Difference" CB 83 1.120 0.061 1.126 19382 108 1 18 "Average Difference" HN 88 0.545 -0.160 0.524 19382 109 1 19 "Average Difference" N 88 2.626 -0.089 2.639 19382 110 1 19 "Average Difference" HA 100 0.280 0.016 0.281 19382 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19382 112 1 19 "Average Difference" CA 81 1.077 -0.550 0.932 19382 113 1 19 "Average Difference" CB 83 1.021 0.155 1.016 19382 114 1 19 "Average Difference" HN 88 0.499 -0.143 0.481 19382 115 1 20 "Average Difference" N 88 3.065 -0.223 3.074 19382 116 1 20 "Average Difference" HA 100 0.292 0.020 0.293 19382 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19382 118 1 20 "Average Difference" CA 81 1.147 -0.606 0.979 19382 119 1 20 "Average Difference" CB 83 1.044 0.108 1.045 19382 120 1 20 "Average Difference" HN 88 0.552 -0.194 0.520 19382 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 19382 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 VAL N N 2 120.711 120.711 124.150 -3.439 19382 2 1 . 1 1 2 2 VAL HA H 2 4.240 4.240 4.273 -0.033 19382 3 1 . 1 1 2 2 VAL CA C 2 61.832 61.832 62.384 -0.552 19382 4 1 . 1 1 2 2 VAL CB C 2 33.321 33.321 32.481 0.840 19382 5 1 . 1 1 2 2 VAL H H 2 8.063 8.063 8.309 -0.246 19382 6 1 . 1 1 3 3 GLU N N 3 124.381 124.381 124.091 0.290 19382 7 1 . 1 1 3 3 GLU HA H 3 4.432 4.432 4.476 -0.044 19382 8 1 . 1 1 3 3 GLU CA C 3 55.660 55.660 55.745 -0.085 19382 9 1 . 1 1 3 3 GLU CB C 3 31.558 31.558 31.062 0.496 19382 10 1 . 1 1 3 3 GLU H H 3 8.589 8.589 8.085 0.504 19382 11 1 . 1 1 4 4 ALA N N 4 124.910 124.910 127.259 -2.349 19382 12 1 . 1 1 4 4 ALA HA H 4 4.284 4.284 4.671 -0.387 19382 13 1 . 1 1 4 4 ALA CA C 4 53.537 53.537 50.982 2.555 19382 14 1 . 1 1 4 4 ALA CB C 4 19.535 19.535 20.638 -1.103 19382 15 1 . 1 1 4 4 ALA H H 4 8.442 8.442 8.326 0.116 19382 16 1 . 1 1 5 5 ASP N N 5 119.622 119.622 125.237 -5.615 19382 17 1 . 1 1 5 5 ASP HA H 5 4.643 4.643 4.501 0.142 19382 18 1 . 1 1 5 5 ASP CB C 5 42.674 42.674 41.471 1.203 19382 19 1 . 1 1 5 5 ASP H H 5 8.363 8.363 8.494 -0.131 19382 20 1 . 1 1 7 7 PRO HA H 7 4.651 4.651 4.254 0.397 19382 21 1 . 1 1 7 7 PRO CA C 7 64.065 64.065 63.764 0.301 19382 22 1 . 1 1 7 7 PRO CB C 7 31.924 31.924 31.785 0.139 19382 23 1 . 1 1 8 8 GLY N N 8 110.020 110.020 109.777 0.243 19382 24 1 . 1 1 8 8 GLY CA C 8 45.373 45.373 45.036 0.337 19382 25 1 . 1 1 8 8 GLY H H 8 8.879 8.879 8.503 0.376 19382 26 1 . 1 1 9 9 LYS N N 9 121.894 121.894 123.758 -1.864 19382 27 1 . 1 1 9 9 LYS HA H 9 5.137 5.137 5.388 -0.251 19382 28 1 . 1 1 9 9 LYS CA C 9 56.028 56.028 55.508 0.520 19382 29 1 . 1 1 9 9 LYS CB C 9 35.188 35.188 34.316 0.872 19382 30 1 . 1 1 9 9 LYS H H 9 8.011 8.011 7.621 0.390 19382 31 1 . 1 1 10 10 LEU N N 10 127.289 127.289 126.379 0.910 19382 32 1 . 1 1 10 10 LEU HA H 10 4.980 4.980 5.295 -0.315 19382 33 1 . 1 1 10 10 LEU CA C 10 53.494 53.494 53.141 0.353 19382 34 1 . 1 1 10 10 LEU CB C 10 44.494 44.494 45.728 -1.234 19382 35 1 . 1 1 10 10 LEU H H 10 9.536 9.536 9.094 0.442 19382 36 1 . 1 1 11 11 PHE N N 11 123.068 123.068 123.127 -0.059 19382 37 1 . 1 1 11 11 PHE HA H 11 4.418 4.418 4.787 -0.369 19382 38 1 . 1 1 11 11 PHE CA C 11 57.168 57.168 55.790 1.378 19382 39 1 . 1 1 11 11 PHE CB C 11 41.206 41.206 42.327 -1.121 19382 40 1 . 1 1 11 11 PHE H H 11 9.386 9.386 9.322 0.064 19382 41 1 . 1 1 12 12 ILE N N 12 127.476 127.476 126.880 0.597 19382 42 1 . 1 1 12 12 ILE HA H 12 4.813 4.813 4.700 0.113 19382 43 1 . 1 1 12 12 ILE CB C 12 38.791 38.791 36.716 2.075 19382 44 1 . 1 1 12 12 ILE H H 12 7.949 7.949 8.081 -0.132 19382 45 1 . 1 1 13 13 GLY N N 13 110.661 110.661 110.367 0.295 19382 46 1 . 1 1 13 13 GLY CA C 13 43.750 43.750 43.455 0.295 19382 47 1 . 1 1 13 13 GLY H H 13 8.939 8.939 7.565 1.374 19382 48 1 . 1 1 14 14 GLY N N 14 107.213 107.213 111.552 -4.339 19382 49 1 . 1 1 14 14 GLY CA C 14 45.776 45.776 44.788 0.988 19382 50 1 . 1 1 14 14 GLY H H 14 8.126 8.126 8.672 -0.546 19382 51 1 . 1 1 15 15 LEU N N 15 115.288 115.288 119.545 -4.257 19382 52 1 . 1 1 15 15 LEU HA H 15 4.057 4.057 4.117 -0.060 19382 53 1 . 1 1 15 15 LEU CA C 15 54.639 54.639 55.071 -0.432 19382 54 1 . 1 1 15 15 LEU CB C 15 43.295 43.295 42.234 1.061 19382 55 1 . 1 1 15 15 LEU H H 15 7.621 7.621 7.819 -0.198 19382 56 1 . 1 1 16 16 ASN N N 16 120.674 120.674 118.006 2.668 19382 57 1 . 1 1 16 16 ASN HA H 16 4.573 4.573 4.667 -0.094 19382 58 1 . 1 1 16 16 ASN CB C 16 38.631 38.631 39.918 -1.287 19382 59 1 . 1 1 16 16 ASN H H 16 9.597 9.597 8.367 1.231 19382 60 1 . 1 1 17 17 THR N N 17 122.538 122.538 111.685 10.853 19382 61 1 . 1 1 17 17 THR HA H 17 3.900 3.900 4.180 -0.280 19382 62 1 . 1 1 17 17 THR CA C 17 65.542 65.542 64.136 1.406 19382 63 1 . 1 1 17 17 THR CB C 17 68.594 68.594 68.736 -0.143 19382 64 1 . 1 1 17 17 THR H H 17 8.807 8.807 8.564 0.243 19382 65 1 . 1 1 18 18 GLU N N 18 118.149 118.149 118.391 -0.242 19382 66 1 . 1 1 18 18 GLU HA H 18 4.361 4.361 4.484 -0.123 19382 67 1 . 1 1 18 18 GLU CA C 18 56.413 56.413 55.910 0.503 19382 68 1 . 1 1 18 18 GLU CB C 18 29.914 29.914 29.450 0.464 19382 69 1 . 1 1 18 18 GLU H H 18 8.757 8.757 8.432 0.325 19382 70 1 . 1 1 19 19 THR N N 19 119.146 119.146 117.745 1.401 19382 71 1 . 1 1 19 19 THR HA H 19 4.088 4.088 4.261 -0.173 19382 72 1 . 1 1 19 19 THR CA C 19 64.959 64.959 63.742 1.217 19382 73 1 . 1 1 19 19 THR CB C 19 68.536 68.536 69.714 -1.178 19382 74 1 . 1 1 19 19 THR H H 19 7.627 7.627 7.542 0.085 19382 75 1 . 1 1 20 20 ASN N N 20 126.361 126.361 122.300 4.061 19382 76 1 . 1 1 20 20 ASN HA H 20 4.916 4.916 4.918 -0.002 19382 77 1 . 1 1 20 20 ASN CA C 20 50.998 50.998 51.912 -0.914 19382 78 1 . 1 1 20 20 ASN CB C 20 40.354 40.354 41.172 -0.818 19382 79 1 . 1 1 20 20 ASN H H 20 8.076 8.076 8.367 -0.291 19382 80 1 . 1 1 21 21 GLU N N 21 118.317 118.317 121.243 -2.926 19382 81 1 . 1 1 21 21 GLU HA H 21 3.721 3.721 4.038 -0.317 19382 82 1 . 1 1 21 21 GLU CA C 21 61.820 61.820 60.165 1.655 19382 83 1 . 1 1 21 21 GLU CB C 21 28.871 28.871 29.488 -0.617 19382 84 1 . 1 1 21 21 GLU H H 21 10.233 10.233 8.729 1.504 19382 85 1 . 1 1 22 22 LYS N N 22 118.930 118.930 119.067 -0.137 19382 86 1 . 1 1 22 22 LYS HA H 22 4.164 4.164 4.111 0.053 19382 87 1 . 1 1 22 22 LYS CA C 22 58.795 58.795 58.738 0.057 19382 88 1 . 1 1 22 22 LYS CB C 22 31.727 31.727 32.047 -0.320 19382 89 1 . 1 1 22 22 LYS H H 22 7.920 7.920 8.398 -0.478 19382 90 1 . 1 1 23 23 ALA N N 23 123.201 123.201 120.825 2.376 19382 91 1 . 1 1 23 23 ALA HA H 23 4.323 4.323 4.280 0.043 19382 92 1 . 1 1 23 23 ALA CA C 23 55.021 55.021 54.411 0.610 19382 93 1 . 1 1 23 23 ALA CB C 23 19.024 19.024 18.511 0.513 19382 94 1 . 1 1 23 23 ALA H H 23 7.915 7.915 7.482 0.433 19382 95 1 . 1 1 24 24 LEU N N 24 116.213 116.213 118.694 -2.481 19382 96 1 . 1 1 24 24 LEU HA H 24 4.167 4.167 4.329 -0.162 19382 97 1 . 1 1 24 24 LEU CA C 24 58.095 58.095 57.211 0.884 19382 98 1 . 1 1 24 24 LEU CB C 24 42.458 42.458 42.398 0.060 19382 99 1 . 1 1 24 24 LEU H H 24 7.760 7.760 7.382 0.378 19382 100 1 . 1 1 25 25 GLU N N 25 119.637 119.637 118.776 0.861 19382 101 1 . 1 1 25 25 GLU HA H 25 3.763 3.763 4.068 -0.305 19382 102 1 . 1 1 25 25 GLU CA C 25 60.215 60.215 58.994 1.221 19382 103 1 . 1 1 25 25 GLU CB C 25 29.849 29.849 29.685 0.164 19382 104 1 . 1 1 25 25 GLU H H 25 8.545 8.545 8.630 -0.085 19382 105 1 . 1 1 26 26 ALA N N 26 121.001 121.001 120.674 0.327 19382 106 1 . 1 1 26 26 ALA HA H 26 4.198 4.198 4.245 -0.047 19382 107 1 . 1 1 26 26 ALA CA C 26 55.081 55.081 54.370 0.711 19382 108 1 . 1 1 26 26 ALA CB C 26 18.419 18.419 18.896 -0.477 19382 109 1 . 1 1 26 26 ALA H H 26 7.975 7.975 7.509 0.466 19382 110 1 . 1 1 27 27 VAL N N 27 115.732 115.732 116.265 -0.533 19382 111 1 . 1 1 27 27 VAL HA H 27 3.943 3.943 3.948 -0.005 19382 112 1 . 1 1 27 27 VAL CA C 27 65.247 65.247 64.205 1.042 19382 113 1 . 1 1 27 27 VAL CB C 27 32.754 32.754 32.803 -0.049 19382 114 1 . 1 1 27 27 VAL H H 27 7.817 7.817 7.502 0.315 19382 115 1 . 1 1 28 28 PHE N N 28 115.329 115.329 118.036 -2.707 19382 116 1 . 1 1 28 28 PHE HA H 28 4.642 4.642 4.986 -0.344 19382 117 1 . 1 1 28 28 PHE CA C 28 62.702 62.702 59.610 3.092 19382 118 1 . 1 1 28 28 PHE CB C 28 38.284 38.284 39.348 -1.064 19382 119 1 . 1 1 28 28 PHE H H 28 8.607 8.607 7.805 0.802 19382 120 1 . 1 1 29 29 GLY N N 29 108.306 108.306 107.240 1.066 19382 121 1 . 1 1 29 29 GLY CA C 29 46.405 46.405 45.628 0.777 19382 122 1 . 1 1 29 29 GLY H H 29 8.425 8.425 7.788 0.637 19382 123 1 . 1 1 30 30 LYS N N 30 117.374 117.374 118.867 -1.493 19382 124 1 . 1 1 30 30 LYS HA H 30 4.096 4.096 4.068 0.028 19382 125 1 . 1 1 30 30 LYS CA C 30 57.893 57.893 57.509 0.384 19382 126 1 . 1 1 30 30 LYS CB C 30 31.996 31.996 31.771 0.225 19382 127 1 . 1 1 30 30 LYS H H 30 6.970 6.970 7.667 -0.697 19382 128 1 . 1 1 31 31 TYR N N 31 115.689 115.689 116.970 -1.281 19382 129 1 . 1 1 31 31 TYR HA H 31 4.295 4.295 4.783 -0.488 19382 130 1 . 1 1 31 31 TYR CA C 31 59.813 59.813 58.579 1.234 19382 131 1 . 1 1 31 31 TYR CB C 31 38.793 38.793 40.804 -2.011 19382 132 1 . 1 1 31 31 TYR H H 31 7.741 7.741 7.573 0.168 19382 133 1 . 1 1 32 32 GLY N N 32 104.475 104.475 104.546 -0.071 19382 134 1 . 1 1 32 32 GLY CA C 32 44.596 44.596 45.444 -0.848 19382 135 1 . 1 1 32 32 GLY H H 32 7.401 7.401 7.508 -0.107 19382 136 1 . 1 1 33 33 ARG N N 33 116.936 116.936 120.908 -3.972 19382 137 1 . 1 1 33 33 ARG HA H 33 4.282 4.282 4.415 -0.133 19382 138 1 . 1 1 33 33 ARG CA C 33 57.903 57.903 55.942 1.961 19382 139 1 . 1 1 33 33 ARG CB C 33 30.754 30.754 31.016 -0.262 19382 140 1 . 1 1 33 33 ARG H H 33 8.286 8.286 8.486 -0.200 19382 141 1 . 1 1 34 34 ILE N N 34 128.703 128.703 126.283 2.420 19382 142 1 . 1 1 34 34 ILE HA H 34 4.028 4.028 3.966 0.062 19382 143 1 . 1 1 34 34 ILE CA C 34 60.851 60.851 62.446 -1.595 19382 144 1 . 1 1 34 34 ILE CB C 34 39.937 39.937 38.654 1.283 19382 145 1 . 1 1 34 34 ILE H H 34 8.797 8.797 8.460 0.337 19382 146 1 . 1 1 35 35 VAL N N 35 122.207 122.207 122.949 -0.742 19382 147 1 . 1 1 35 35 VAL HA H 35 4.277 4.277 4.305 -0.028 19382 148 1 . 1 1 35 35 VAL CA C 35 62.388 62.388 62.576 -0.188 19382 149 1 . 1 1 35 35 VAL CB C 35 33.054 33.054 33.029 0.025 19382 150 1 . 1 1 35 35 VAL H H 35 8.859 8.859 8.896 -0.037 19382 151 1 . 1 1 36 36 GLU N N 36 118.922 118.922 119.093 -0.171 19382 152 1 . 1 1 36 36 GLU HA H 36 4.535 4.535 4.529 0.006 19382 153 1 . 1 1 36 36 GLU CA C 36 56.844 56.844 55.972 0.872 19382 154 1 . 1 1 36 36 GLU CB C 36 34.132 34.132 33.085 1.047 19382 155 1 . 1 1 36 36 GLU H H 36 7.228 7.228 7.669 -0.441 19382 156 1 . 1 1 37 37 VAL N N 37 126.068 126.068 123.169 2.899 19382 157 1 . 1 1 37 37 VAL HA H 37 4.420 4.420 4.378 0.042 19382 158 1 . 1 1 37 37 VAL CA C 37 62.410 62.410 61.247 1.163 19382 159 1 . 1 1 37 37 VAL CB C 37 33.908 33.908 34.867 -0.959 19382 160 1 . 1 1 37 37 VAL H H 37 8.607 8.607 8.550 0.057 19382 161 1 . 1 1 38 38 LEU N N 38 129.638 129.638 125.681 3.957 19382 162 1 . 1 1 38 38 LEU HA H 38 4.792 4.792 4.821 -0.030 19382 163 1 . 1 1 38 38 LEU CA C 38 53.395 53.395 53.856 -0.461 19382 164 1 . 1 1 38 38 LEU CB C 38 44.538 44.538 45.625 -1.087 19382 165 1 . 1 1 38 38 LEU H H 38 9.052 9.052 8.982 0.070 19382 166 1 . 1 1 39 39 LEU N N 39 128.599 128.599 123.413 5.186 19382 167 1 . 1 1 39 39 LEU HA H 39 4.400 4.400 4.534 -0.134 19382 168 1 . 1 1 39 39 LEU CA C 39 53.997 53.997 54.438 -0.441 19382 169 1 . 1 1 39 39 LEU CB C 39 44.232 44.232 44.855 -0.624 19382 170 1 . 1 1 39 39 LEU H H 39 9.030 9.030 8.382 0.648 19382 171 1 . 1 1 40 40 MET N N 40 125.937 125.937 125.079 0.858 19382 172 1 . 1 1 40 40 MET HA H 40 4.595 4.595 4.742 -0.147 19382 173 1 . 1 1 40 40 MET CA C 40 54.617 54.617 53.210 1.407 19382 174 1 . 1 1 40 40 MET CB C 40 29.778 29.778 32.534 -2.756 19382 175 1 . 1 1 40 40 MET H H 40 7.848 7.848 8.184 -0.336 19382 176 1 . 1 1 41 41 LYS N N 41 122.049 122.049 120.461 1.588 19382 177 1 . 1 1 41 41 LYS HA H 41 4.911 4.911 4.724 0.187 19382 178 1 . 1 1 41 41 LYS CA C 41 54.708 54.708 54.563 0.145 19382 179 1 . 1 1 41 41 LYS CB C 41 36.342 36.342 35.436 0.906 19382 180 1 . 1 1 41 41 LYS H H 41 8.444 8.444 8.249 0.195 19382 181 1 . 1 1 42 42 ASP N N 42 123.896 123.896 121.231 2.665 19382 182 1 . 1 1 42 42 ASP HA H 42 4.685 4.685 4.542 0.143 19382 183 1 . 1 1 42 42 ASP CB C 42 43.050 43.050 42.745 0.305 19382 184 1 . 1 1 42 42 ASP H H 42 8.864 8.864 8.791 0.073 19382 185 1 . 1 1 43 43 ARG N N 43 126.892 126.892 122.403 4.489 19382 186 1 . 1 1 43 43 ARG HA H 43 4.155 4.155 4.358 -0.203 19382 187 1 . 1 1 43 43 ARG CA C 43 58.790 58.790 57.262 1.528 19382 188 1 . 1 1 43 43 ARG CB C 43 30.330 30.330 30.607 -0.277 19382 189 1 . 1 1 43 43 ARG H H 43 8.983 8.983 8.612 0.371 19382 190 1 . 1 1 44 44 GLU N N 44 117.468 117.468 118.734 -1.266 19382 191 1 . 1 1 44 44 GLU HA H 44 4.371 4.371 4.462 -0.091 19382 192 1 . 1 1 44 44 GLU CA C 44 58.683 58.683 57.242 1.441 19382 193 1 . 1 1 44 44 GLU CB C 44 30.160 30.160 30.908 -0.748 19382 194 1 . 1 1 44 44 GLU H H 44 8.687 8.687 9.017 -0.330 19382 195 1 . 1 1 45 45 THR N N 45 107.088 107.088 109.402 -2.314 19382 196 1 . 1 1 45 45 THR HA H 45 4.447 4.447 4.476 -0.029 19382 197 1 . 1 1 45 45 THR CA C 45 61.838 61.838 61.298 0.540 19382 198 1 . 1 1 45 45 THR CB C 45 71.163 71.163 70.375 0.788 19382 199 1 . 1 1 45 45 THR H H 45 8.172 8.172 7.734 0.438 19382 200 1 . 1 1 46 46 ASN N N 46 117.525 117.525 117.659 -0.134 19382 201 1 . 1 1 46 46 ASN HA H 46 4.496 4.496 4.461 0.035 19382 202 1 . 1 1 46 46 ASN CA C 46 55.027 55.027 54.871 0.156 19382 203 1 . 1 1 46 46 ASN CB C 46 38.541 38.541 37.478 1.063 19382 204 1 . 1 1 46 46 ASN H H 46 8.389 8.389 8.244 0.145 19382 205 1 . 1 1 47 47 LYS N N 47 117.695 117.695 118.747 -1.052 19382 206 1 . 1 1 47 47 LYS HA H 47 4.457 4.457 4.340 0.117 19382 207 1 . 1 1 47 47 LYS CA C 47 55.547 55.547 55.941 -0.394 19382 208 1 . 1 1 47 47 LYS CB C 47 34.068 34.068 33.388 0.680 19382 209 1 . 1 1 47 47 LYS H H 47 7.649 7.649 7.516 0.133 19382 210 1 . 1 1 48 48 SER N N 48 116.260 116.260 115.438 0.822 19382 211 1 . 1 1 48 48 SER HA H 48 4.384 4.384 4.563 -0.179 19382 212 1 . 1 1 48 48 SER CA C 48 58.462 58.462 58.403 0.059 19382 213 1 . 1 1 48 48 SER CB C 48 64.621 64.621 64.097 0.524 19382 214 1 . 1 1 48 48 SER H H 48 8.787 8.787 8.438 0.349 19382 215 1 . 1 1 49 49 ARG N N 49 124.026 124.026 124.850 -0.824 19382 216 1 . 1 1 49 49 ARG HA H 49 4.459 4.459 4.336 0.123 19382 217 1 . 1 1 49 49 ARG CA C 49 56.741 56.741 56.273 0.468 19382 218 1 . 1 1 49 49 ARG CB C 49 31.900 31.900 30.222 1.678 19382 219 1 . 1 1 49 49 ARG H H 49 9.079 9.079 8.723 0.356 19382 220 1 . 1 1 50 50 GLY N N 50 106.539 106.539 106.728 -0.189 19382 221 1 . 1 1 50 50 GLY CA C 50 45.848 45.848 45.497 0.351 19382 222 1 . 1 1 50 50 GLY H H 50 9.178 9.178 8.357 0.821 19382 223 1 . 1 1 51 51 PHE N N 51 112.056 112.056 115.306 -3.250 19382 224 1 . 1 1 51 51 PHE HA H 51 5.296 5.296 5.633 -0.337 19382 225 1 . 1 1 51 51 PHE CA C 51 55.113 55.113 54.084 1.029 19382 226 1 . 1 1 51 51 PHE CB C 51 41.402 41.402 41.703 -0.301 19382 227 1 . 1 1 51 51 PHE H H 51 7.004 7.004 7.220 -0.216 19382 228 1 . 1 1 52 52 ALA N N 52 120.974 120.974 120.183 0.791 19382 229 1 . 1 1 52 52 ALA HA H 52 4.839 4.839 4.853 -0.014 19382 230 1 . 1 1 52 52 ALA CA C 52 49.666 49.666 51.043 -1.377 19382 231 1 . 1 1 52 52 ALA CB C 52 25.592 25.592 22.019 3.573 19382 232 1 . 1 1 52 52 ALA H H 52 8.832 8.832 7.659 1.173 19382 233 1 . 1 1 53 53 PHE N N 53 113.680 113.680 115.102 -1.422 19382 234 1 . 1 1 53 53 PHE HA H 53 5.673 5.673 5.682 -0.009 19382 235 1 . 1 1 53 53 PHE CA C 53 56.140 56.140 56.794 -0.654 19382 236 1 . 1 1 53 53 PHE CB C 53 42.661 42.661 44.275 -1.614 19382 237 1 . 1 1 53 53 PHE H H 53 8.710 8.710 7.975 0.735 19382 238 1 . 1 1 54 54 VAL N N 54 124.889 124.889 119.598 5.291 19382 239 1 . 1 1 54 54 VAL HA H 54 4.680 4.680 4.679 0.001 19382 240 1 . 1 1 54 54 VAL CB C 54 35.343 35.343 35.810 -0.467 19382 241 1 . 1 1 54 54 VAL H H 54 8.800 8.800 8.589 0.211 19382 242 1 . 1 1 55 55 THR N N 55 123.052 123.052 125.205 -2.153 19382 243 1 . 1 1 55 55 THR HA H 55 5.159 5.159 5.317 -0.158 19382 244 1 . 1 1 55 55 THR CA C 55 61.912 61.912 61.509 0.403 19382 245 1 . 1 1 55 55 THR CB C 55 69.698 69.698 69.847 -0.149 19382 246 1 . 1 1 55 55 THR H H 55 8.943 8.943 8.988 -0.045 19382 247 1 . 1 1 56 56 PHE N N 56 128.514 128.514 125.902 2.612 19382 248 1 . 1 1 56 56 PHE HA H 56 4.815 4.815 4.883 -0.069 19382 249 1 . 1 1 56 56 PHE CA C 56 58.294 58.294 57.040 1.254 19382 250 1 . 1 1 56 56 PHE CB C 56 40.666 40.666 40.459 0.207 19382 251 1 . 1 1 56 56 PHE H H 56 8.917 8.917 9.390 -0.473 19382 252 1 . 1 1 57 57 GLU N N 57 121.809 121.809 121.396 0.413 19382 253 1 . 1 1 57 57 GLU HA H 57 3.952 3.952 4.216 -0.265 19382 254 1 . 1 1 57 57 GLU CA C 57 59.502 59.502 58.485 1.017 19382 255 1 . 1 1 57 57 GLU CB C 57 30.551 30.551 30.450 0.101 19382 256 1 . 1 1 57 57 GLU H H 57 8.240 8.240 8.729 -0.489 19382 257 1 . 1 1 58 58 SER N N 58 112.478 112.478 112.716 -0.238 19382 258 1 . 1 1 58 58 SER HA H 58 5.333 5.333 4.974 0.358 19382 259 1 . 1 1 58 58 SER CA C 58 53.261 53.261 54.220 -0.959 19382 260 1 . 1 1 58 58 SER CB C 58 64.505 64.505 64.703 -0.198 19382 261 1 . 1 1 58 58 SER H H 58 9.461 9.461 7.701 1.760 19382 262 1 . 1 1 59 59 PRO HA H 59 4.148 4.148 4.562 -0.414 19382 263 1 . 1 1 59 59 PRO CA C 59 65.069 65.069 63.945 1.124 19382 264 1 . 1 1 59 59 PRO CB C 59 32.402 32.402 31.919 0.484 19382 265 1 . 1 1 60 60 ALA N N 60 120.882 120.882 120.809 0.073 19382 266 1 . 1 1 60 60 ALA HA H 60 4.098 4.098 4.441 -0.343 19382 267 1 . 1 1 60 60 ALA CA C 60 55.355 55.355 52.976 2.379 19382 268 1 . 1 1 60 60 ALA CB C 60 18.413 18.413 19.722 -1.309 19382 269 1 . 1 1 60 60 ALA H H 60 7.957 7.957 7.637 0.320 19382 270 1 . 1 1 61 61 ASP N N 61 120.196 120.196 120.250 -0.054 19382 271 1 . 1 1 61 61 ASP HA H 61 4.304 4.304 4.492 -0.188 19382 272 1 . 1 1 61 61 ASP CA C 61 56.972 56.972 57.014 -0.042 19382 273 1 . 1 1 61 61 ASP CB C 61 40.288 40.288 40.494 -0.206 19382 274 1 . 1 1 61 61 ASP H H 61 7.157 7.157 7.807 -0.650 19382 275 1 . 1 1 62 62 ALA N N 62 119.636 119.636 121.366 -1.730 19382 276 1 . 1 1 62 62 ALA HA H 62 3.267 3.267 2.661 0.606 19382 277 1 . 1 1 62 62 ALA CA C 62 54.367 54.367 54.372 -0.005 19382 278 1 . 1 1 62 62 ALA CB C 62 19.004 19.004 18.154 0.850 19382 279 1 . 1 1 62 62 ALA H H 62 6.901 6.901 7.324 -0.423 19382 280 1 . 1 1 63 63 LYS N N 63 117.322 117.322 118.216 -0.894 19382 281 1 . 1 1 63 63 LYS HA H 63 3.975 3.975 3.877 0.098 19382 282 1 . 1 1 63 63 LYS CA C 63 59.638 59.638 59.509 0.129 19382 283 1 . 1 1 63 63 LYS CB C 63 32.046 32.046 32.099 -0.053 19382 284 1 . 1 1 63 63 LYS H H 63 7.605 7.605 7.793 -0.188 19382 285 1 . 1 1 64 64 ASP N N 64 120.944 120.944 118.217 2.727 19382 286 1 . 1 1 64 64 ASP HA H 64 4.364 4.364 4.388 -0.024 19382 287 1 . 1 1 64 64 ASP CA C 64 57.495 57.495 56.466 1.029 19382 288 1 . 1 1 64 64 ASP CB C 64 40.504 40.504 40.905 -0.401 19382 289 1 . 1 1 64 64 ASP H H 64 7.488 7.488 7.770 -0.282 19382 290 1 . 1 1 65 65 ALA N N 65 122.197 122.197 120.439 1.757 19382 291 1 . 1 1 65 65 ALA HA H 65 2.353 2.353 2.772 -0.419 19382 292 1 . 1 1 65 65 ALA CA C 65 54.483 54.483 54.134 0.349 19382 293 1 . 1 1 65 65 ALA CB C 65 19.852 19.852 19.051 0.801 19382 294 1 . 1 1 65 65 ALA H H 65 7.806 7.806 7.137 0.669 19382 295 1 . 1 1 66 66 ALA N N 66 118.722 118.722 118.927 -0.205 19382 296 1 . 1 1 66 66 ALA HA H 66 3.859 3.859 4.096 -0.237 19382 297 1 . 1 1 66 66 ALA CA C 66 55.381 55.381 53.698 1.683 19382 298 1 . 1 1 66 66 ALA CB C 66 17.814 17.814 18.537 -0.723 19382 299 1 . 1 1 66 66 ALA H H 66 8.247 8.247 7.812 0.435 19382 300 1 . 1 1 67 67 ARG N N 67 116.529 116.529 115.557 0.972 19382 301 1 . 1 1 67 67 ARG HA H 67 4.106 4.106 4.341 -0.235 19382 302 1 . 1 1 67 67 ARG CA C 67 58.934 58.934 56.694 2.240 19382 303 1 . 1 1 67 67 ARG CB C 67 30.152 30.152 30.490 -0.338 19382 304 1 . 1 1 67 67 ARG H H 67 7.803 7.803 7.503 0.300 19382 305 1 . 1 1 68 68 ASP N N 68 116.394 116.394 118.666 -2.272 19382 306 1 . 1 1 68 68 ASP HA H 68 4.732 4.732 4.705 0.027 19382 307 1 . 1 1 68 68 ASP CB C 68 42.683 42.683 43.002 -0.319 19382 308 1 . 1 1 68 68 ASP H H 68 7.800 7.800 8.000 -0.200 19382 309 1 . 1 1 69 69 MET N N 69 111.832 111.832 117.280 -5.448 19382 310 1 . 1 1 69 69 MET HA H 69 4.902 4.902 4.410 0.492 19382 311 1 . 1 1 69 69 MET CA C 69 53.703 53.703 55.034 -1.331 19382 312 1 . 1 1 69 69 MET CB C 69 32.130 32.130 32.491 -0.361 19382 313 1 . 1 1 69 69 MET H H 69 8.203 8.203 8.048 0.155 19382 314 1 . 1 1 70 70 ASN N N 70 116.507 116.507 117.879 -1.372 19382 315 1 . 1 1 70 70 ASN HA H 70 4.459 4.459 4.553 -0.094 19382 316 1 . 1 1 70 70 ASN CA C 70 56.973 56.973 54.588 2.385 19382 317 1 . 1 1 70 70 ASN CB C 70 38.772 38.772 38.415 0.356 19382 318 1 . 1 1 70 70 ASN H H 70 7.724 7.724 7.674 0.050 19382 319 1 . 1 1 71 71 GLY N N 71 117.038 117.038 113.676 3.362 19382 320 1 . 1 1 71 71 GLY CA C 71 45.945 45.945 45.484 0.461 19382 321 1 . 1 1 71 71 GLY H H 71 9.065 9.065 8.325 0.740 19382 322 1 . 1 1 72 72 LYS N N 72 120.950 120.950 120.461 0.489 19382 323 1 . 1 1 72 72 LYS HA H 72 4.435 4.435 4.566 -0.131 19382 324 1 . 1 1 72 72 LYS CA C 72 55.424 55.424 54.867 0.557 19382 325 1 . 1 1 72 72 LYS CB C 72 33.056 33.056 33.810 -0.754 19382 326 1 . 1 1 72 72 LYS H H 72 7.949 7.949 7.579 0.370 19382 327 1 . 1 1 73 73 SER N N 73 112.847 112.847 113.445 -0.598 19382 328 1 . 1 1 73 73 SER HA H 73 5.076 5.076 5.098 -0.022 19382 329 1 . 1 1 73 73 SER CA C 73 57.821 57.821 56.691 1.130 19382 330 1 . 1 1 73 73 SER CB C 73 64.481 64.481 64.867 -0.386 19382 331 1 . 1 1 73 73 SER H H 73 8.078 8.078 8.354 -0.276 19382 332 1 . 1 1 74 74 LEU N N 74 127.515 127.515 124.545 2.970 19382 333 1 . 1 1 74 74 LEU HA H 74 4.591 4.591 4.683 -0.092 19382 334 1 . 1 1 74 74 LEU CA C 74 54.810 54.810 54.560 0.250 19382 335 1 . 1 1 74 74 LEU CB C 74 44.722 44.722 44.614 0.108 19382 336 1 . 1 1 74 74 LEU H H 74 9.069 9.069 8.723 0.346 19382 337 1 . 1 1 75 75 ASP N N 75 128.803 128.803 122.001 6.802 19382 338 1 . 1 1 75 75 ASP HA H 75 4.341 4.341 4.398 -0.057 19382 339 1 . 1 1 75 75 ASP CA C 75 55.686 55.686 55.321 0.365 19382 340 1 . 1 1 75 75 ASP CB C 75 39.429 39.429 41.311 -1.882 19382 341 1 . 1 1 75 75 ASP H H 75 9.565 9.565 8.927 0.638 19382 342 1 . 1 1 76 76 GLY N N 76 101.959 101.959 105.002 -3.043 19382 343 1 . 1 1 76 76 GLY CA C 76 45.659 45.659 45.103 0.556 19382 344 1 . 1 1 76 76 GLY H H 76 8.447 8.447 8.005 0.442 19382 345 1 . 1 1 77 77 LYS N N 77 120.026 120.026 121.625 -1.599 19382 346 1 . 1 1 77 77 LYS HA H 77 4.712 4.712 4.721 -0.009 19382 347 1 . 1 1 77 77 LYS CB C 77 34.902 34.902 34.289 0.613 19382 348 1 . 1 1 77 77 LYS H H 77 7.417 7.417 8.031 -0.614 19382 349 1 . 1 1 78 78 ALA N N 78 125.190 125.190 127.288 -2.098 19382 350 1 . 1 1 78 78 ALA HA H 78 4.537 4.537 4.814 -0.277 19382 351 1 . 1 1 78 78 ALA CA C 78 51.602 51.602 51.982 -0.380 19382 352 1 . 1 1 78 78 ALA CB C 78 18.228 18.228 19.452 -1.223 19382 353 1 . 1 1 78 78 ALA H H 78 8.304 8.304 8.699 -0.395 19382 354 1 . 1 1 79 79 ILE N N 79 119.566 119.566 116.013 3.553 19382 355 1 . 1 1 79 79 ILE HA H 79 4.843 4.843 5.226 -0.383 19382 356 1 . 1 1 79 79 ILE CA C 79 60.777 60.777 58.769 2.008 19382 357 1 . 1 1 79 79 ILE CB C 79 40.554 40.554 42.071 -1.517 19382 358 1 . 1 1 79 79 ILE H H 79 8.293 8.293 8.810 -0.517 19382 359 1 . 1 1 80 80 LYS N N 80 123.948 123.948 120.898 3.050 19382 360 1 . 1 1 80 80 LYS HA H 80 5.003 5.003 5.050 -0.047 19382 361 1 . 1 1 80 80 LYS CA C 80 54.328 54.328 54.259 0.069 19382 362 1 . 1 1 80 80 LYS CB C 80 34.970 34.970 36.344 -1.374 19382 363 1 . 1 1 80 80 LYS H H 80 8.552 8.552 8.748 -0.196 19382 364 1 . 1 1 81 81 VAL N N 81 123.950 123.950 124.605 -0.655 19382 365 1 . 1 1 81 81 VAL HA H 81 5.300 5.300 5.237 0.063 19382 366 1 . 1 1 81 81 VAL CA C 81 61.023 61.023 60.701 0.322 19382 367 1 . 1 1 81 81 VAL CB C 81 34.701 34.701 34.460 0.241 19382 368 1 . 1 1 81 81 VAL H H 81 8.753 8.753 8.622 0.131 19382 369 1 . 1 1 82 82 GLU N N 82 123.264 123.264 124.356 -1.092 19382 370 1 . 1 1 82 82 GLU HA H 82 4.753 4.753 4.655 0.098 19382 371 1 . 1 1 82 82 GLU CB C 82 34.973 34.973 33.705 1.268 19382 372 1 . 1 1 82 82 GLU H H 82 9.060 9.060 8.368 0.692 19382 373 1 . 1 1 83 83 GLN N N 83 121.972 121.972 122.166 -0.194 19382 374 1 . 1 1 83 83 GLN HA H 83 4.338 4.338 4.514 -0.176 19382 375 1 . 1 1 83 83 GLN CA C 83 57.364 57.364 56.481 0.883 19382 376 1 . 1 1 83 83 GLN CB C 83 28.986 28.986 29.018 -0.032 19382 377 1 . 1 1 83 83 GLN H H 83 8.790 8.790 8.514 0.276 19382 378 1 . 1 1 84 84 ALA N N 84 129.351 129.351 129.949 -0.598 19382 379 1 . 1 1 84 84 ALA HA H 84 5.276 5.276 4.599 0.677 19382 380 1 . 1 1 84 84 ALA CA C 84 52.862 52.862 52.251 0.612 19382 381 1 . 1 1 84 84 ALA CB C 84 19.761 19.761 20.481 -0.720 19382 382 1 . 1 1 84 84 ALA H H 84 9.051 9.051 8.553 0.498 19382 383 1 . 1 1 85 85 THR HA H 85 4.767 4.767 4.697 0.070 19382 384 1 . 1 1 85 85 THR CB C 85 70.557 70.557 71.251 -0.694 19382 385 1 . 1 1 86 86 LYS N N 86 120.733 120.733 121.462 -0.729 19382 386 1 . 1 1 86 86 LYS HA H 86 4.460 4.460 4.372 0.088 19382 387 1 . 1 1 86 86 LYS CB C 86 32.313 32.313 31.750 0.563 19382 388 1 . 1 1 86 86 LYS H H 86 8.517 8.517 8.291 0.226 19382 389 1 . 1 1 87 87 PRO HA H 87 4.433 4.433 4.418 0.015 19382 390 1 . 1 1 87 87 PRO CA C 87 63.096 63.096 62.631 0.465 19382 391 1 . 1 1 87 87 PRO CB C 87 32.118 32.118 32.163 -0.045 19382 392 1 . 1 1 88 88 SER N N 88 117.293 117.293 114.776 2.517 19382 393 1 . 1 1 88 88 SER HA H 88 4.262 4.262 4.385 -0.123 19382 394 1 . 1 1 88 88 SER CA C 88 59.204 59.204 59.065 0.139 19382 395 1 . 1 1 88 88 SER CB C 88 63.891 63.891 63.334 0.557 19382 396 1 . 1 1 88 88 SER H H 88 8.508 8.508 8.429 0.079 19382 397 1 . 1 1 89 89 PHE N N 89 120.710 120.710 118.219 2.491 19382 398 1 . 1 1 89 89 PHE HA H 89 4.643 4.643 4.854 -0.211 19382 399 1 . 1 1 89 89 PHE CA C 89 57.469 57.469 56.848 0.621 19382 400 1 . 1 1 89 89 PHE CB C 89 39.240 39.240 38.541 0.699 19382 401 1 . 1 1 89 89 PHE H H 89 7.930 7.930 7.658 0.272 19382 402 1 . 1 1 90 90 GLU N N 90 121.794 121.794 119.670 2.124 19382 403 1 . 1 1 90 90 GLU HA H 90 4.287 4.287 4.445 -0.158 19382 404 1 . 1 1 90 90 GLU CA C 90 56.701 56.701 55.717 0.985 19382 405 1 . 1 1 90 90 GLU CB C 90 30.383 30.383 31.848 -1.465 19382 406 1 . 1 1 90 90 GLU H H 90 8.099 8.099 7.523 0.576 19382 407 1 . 1 1 91 91 SER N N 91 116.607 116.607 116.355 0.252 19382 408 1 . 1 1 91 91 SER HA H 91 4.419 4.419 4.637 -0.218 19382 409 1 . 1 1 91 91 SER CA C 91 59.090 59.090 57.554 1.536 19382 410 1 . 1 1 91 91 SER CB C 91 64.011 64.011 64.232 -0.221 19382 411 1 . 1 1 91 91 SER H H 91 8.194 8.194 8.449 -0.255 19382 412 1 . 1 1 92 92 GLY N N 92 110.531 110.531 109.822 0.709 19382 413 1 . 1 1 92 92 GLY CA C 92 45.493 45.493 45.447 0.046 19382 414 1 . 1 1 92 92 GLY H H 92 8.395 8.395 8.442 -0.047 19382 415 1 . 1 1 93 93 ARG N N 93 120.515 120.515 119.233 1.282 19382 416 1 . 1 1 93 93 ARG HA H 93 4.398 4.398 4.306 0.092 19382 417 1 . 1 1 93 93 ARG CA C 93 56.203 56.203 56.146 0.057 19382 418 1 . 1 1 93 93 ARG CB C 93 31.056 31.056 30.907 0.149 19382 419 1 . 1 1 93 93 ARG H H 93 8.046 8.046 8.071 -0.025 19382 420 1 . 1 1 94 94 ARG N N 94 123.050 123.050 119.716 3.333 19382 421 1 . 1 1 94 94 ARG HA H 94 4.408 4.408 4.408 0.000 19382 422 1 . 1 1 94 94 ARG CB C 94 31.051 31.051 31.315 -0.264 19382 423 1 . 1 1 94 94 ARG H H 94 8.403 8.403 8.325 0.078 19382 stop_ save_