data_19544 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19544 _Entry.PDB_ID 2MFC 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 19544 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU N N 2 124.411 124.411 128.188 -3.777 19544 2 1 1 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.817 -0.383 19544 3 1 1 . 1 1 2 2 LEU CA C 2 54.276 54.276 54.974 -0.698 19544 4 1 1 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.701 -0.502 19544 5 1 1 . 1 1 2 2 LEU H H 2 8.389 8.389 8.560 -0.171 19544 6 1 1 . 1 1 3 3 ILE N N 3 130.539 130.539 124.418 6.121 19544 7 1 1 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.162 0.765 19544 8 1 1 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.382 -1.228 19544 9 1 1 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.583 -0.749 19544 10 1 1 . 1 1 3 3 ILE H H 3 10.459 10.459 8.383 2.076 19544 11 1 1 . 1 1 4 4 LEU N N 4 123.187 123.187 125.016 -1.829 19544 12 1 1 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.751 0.109 19544 13 1 1 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.810 -1.356 19544 14 1 1 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.011 1.588 19544 15 1 1 . 1 1 4 4 LEU H H 4 8.600 8.600 8.178 0.422 19544 16 1 1 . 1 1 5 5 THR N N 5 116.018 116.018 113.725 2.293 19544 17 1 1 . 1 1 5 5 THR HA H 5 5.507 5.507 4.648 0.859 19544 18 1 1 . 1 1 5 5 THR CA C 5 60.401 60.401 61.331 -0.930 19544 19 1 1 . 1 1 5 5 THR CB C 5 69.984 69.984 69.858 0.126 19544 20 1 1 . 1 1 5 5 THR H H 5 9.416 9.416 8.193 1.223 19544 21 1 1 . 1 1 6 6 ARG N N 6 123.849 123.849 123.512 0.337 19544 22 1 1 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.529 0.484 19544 23 1 1 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.966 -0.432 19544 24 1 1 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.375 6.408 19544 25 1 1 . 1 1 6 6 ARG H H 6 9.336 9.336 8.449 0.887 19544 26 1 1 . 1 1 7 7 LYS N N 7 123.068 123.068 124.566 -1.498 19544 27 1 1 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.392 0.707 19544 28 1 1 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.315 -1.245 19544 29 1 1 . 1 1 7 7 LYS CB C 7 34.344 34.344 33.830 0.514 19544 30 1 1 . 1 1 7 7 LYS H H 7 9.381 9.381 8.554 0.827 19544 31 1 1 . 1 1 8 8 VAL N N 8 118.072 118.072 120.368 -2.296 19544 32 1 1 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.904 -0.600 19544 33 1 1 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.000 2.828 19544 34 1 1 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.631 -0.059 19544 35 1 1 . 1 1 8 8 VAL H H 8 7.682 7.682 8.349 -0.667 19544 36 1 1 . 1 1 9 9 GLY N N 9 115.704 115.704 114.226 1.478 19544 37 1 1 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.887 -0.352 19544 38 1 1 . 1 1 9 9 GLY H H 9 9.252 9.252 9.131 0.121 19544 39 1 1 . 1 1 10 10 GLU N N 10 119.256 119.256 120.549 -1.293 19544 40 1 1 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.853 0.034 19544 41 1 1 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.223 1.535 19544 42 1 1 . 1 1 10 10 GLU CB C 10 32.851 32.851 32.377 0.474 19544 43 1 1 . 1 1 10 10 GLU H H 10 8.332 8.332 7.816 0.516 19544 44 1 1 . 1 1 11 11 SER N N 11 112.505 112.505 112.917 -0.412 19544 45 1 1 . 1 1 11 11 SER HA H 11 5.879 5.879 5.185 0.694 19544 46 1 1 . 1 1 11 11 SER CA C 11 57.963 57.963 57.203 0.760 19544 47 1 1 . 1 1 11 11 SER CB C 11 66.878 66.878 66.156 0.722 19544 48 1 1 . 1 1 11 11 SER H H 11 8.661 8.661 8.323 0.338 19544 49 1 1 . 1 1 12 12 ILE N N 12 124.635 124.635 119.787 4.848 19544 50 1 1 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.467 -0.097 19544 51 1 1 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.137 -0.198 19544 52 1 1 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.997 -0.275 19544 53 1 1 . 1 1 12 12 ILE H H 12 9.320 9.320 8.737 0.583 19544 54 1 1 . 1 1 13 13 ASN N N 13 126.113 126.113 120.096 6.017 19544 55 1 1 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.043 -0.054 19544 56 1 1 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.601 0.826 19544 57 1 1 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.845 -0.411 19544 58 1 1 . 1 1 13 13 ASN H H 13 9.349 9.349 8.449 0.900 19544 59 1 1 . 1 1 14 14 ILE N N 14 123.849 123.849 121.271 2.578 19544 60 1 1 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.458 0.001 19544 61 1 1 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.627 -0.061 19544 62 1 1 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.621 -3.093 19544 63 1 1 . 1 1 14 14 ILE H H 14 8.417 8.417 8.388 0.029 19544 64 1 1 . 1 1 15 15 GLY N N 15 115.401 115.401 112.790 2.611 19544 65 1 1 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.378 -0.442 19544 66 1 1 . 1 1 15 15 GLY H H 15 9.100 9.100 8.575 0.525 19544 67 1 1 . 1 1 16 16 ASP N N 16 120.669 120.669 121.682 -1.013 19544 68 1 1 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.732 0.204 19544 69 1 1 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.347 0.852 19544 70 1 1 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.399 0.987 19544 71 1 1 . 1 1 16 16 ASP H H 16 8.754 8.754 8.273 0.481 19544 72 1 1 . 1 1 17 17 ASP N N 17 115.502 115.502 118.985 -3.483 19544 73 1 1 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.775 -0.038 19544 74 1 1 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.940 0.138 19544 75 1 1 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.707 -1.203 19544 76 1 1 . 1 1 17 17 ASP H H 17 8.143 8.143 7.872 0.271 19544 77 1 1 . 1 1 18 18 ILE N N 18 118.662 118.662 119.786 -1.124 19544 78 1 1 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.046 0.175 19544 79 1 1 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.309 -0.304 19544 80 1 1 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.221 -2.571 19544 81 1 1 . 1 1 18 18 ILE H H 18 7.177 7.177 7.629 -0.452 19544 82 1 1 . 1 1 19 19 THR N N 19 122.983 122.983 120.833 2.150 19544 83 1 1 . 1 1 19 19 THR HA H 19 5.119 5.119 4.966 0.153 19544 84 1 1 . 1 1 19 19 THR CA C 19 60.918 60.918 61.608 -0.690 19544 85 1 1 . 1 1 19 19 THR CB C 19 71.715 71.715 72.363 -0.648 19544 86 1 1 . 1 1 19 19 THR H H 19 8.953 8.953 8.549 0.404 19544 87 1 1 . 1 1 20 20 ILE N N 20 123.406 123.406 122.252 1.154 19544 88 1 1 . 1 1 20 20 ILE HA H 20 4.925 4.925 5.061 -0.136 19544 89 1 1 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.163 -0.309 19544 90 1 1 . 1 1 20 20 ILE CB C 20 40.376 40.376 42.078 -1.702 19544 91 1 1 . 1 1 20 20 ILE H H 20 8.934 8.934 9.203 -0.269 19544 92 1 1 . 1 1 21 21 THR N N 21 123.706 123.706 120.469 3.237 19544 93 1 1 . 1 1 21 21 THR HA H 21 4.843 4.843 4.883 -0.040 19544 94 1 1 . 1 1 21 21 THR CA C 21 61.530 61.530 61.728 -0.198 19544 95 1 1 . 1 1 21 21 THR CB C 21 71.954 71.954 71.638 0.316 19544 96 1 1 . 1 1 21 21 THR H H 21 9.413 9.413 8.907 0.506 19544 97 1 1 . 1 1 22 22 ILE N N 22 125.648 125.648 129.459 -3.811 19544 98 1 1 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.271 -0.161 19544 99 1 1 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.975 0.112 19544 100 1 1 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.303 -3.377 19544 101 1 1 . 1 1 22 22 ILE H H 22 8.081 8.081 8.361 -0.280 19544 102 1 1 . 1 1 23 23 LEU N N 23 129.374 129.374 128.216 1.158 19544 103 1 1 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.197 0.332 19544 104 1 1 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.373 -0.798 19544 105 1 1 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.797 0.888 19544 106 1 1 . 1 1 23 23 LEU H H 23 8.819 8.819 8.180 0.639 19544 107 1 1 . 1 1 24 24 GLY N N 24 104.611 104.611 103.729 0.882 19544 108 1 1 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.812 1.093 19544 109 1 1 . 1 1 24 24 GLY H H 24 7.537 7.537 7.513 0.024 19544 110 1 1 . 1 1 25 25 VAL N N 25 120.900 120.900 116.017 4.883 19544 111 1 1 . 1 1 25 25 VAL HA H 25 4.654 4.654 4.942 -0.288 19544 112 1 1 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.790 2.687 19544 113 1 1 . 1 1 25 25 VAL CB C 25 35.740 35.740 36.183 -0.443 19544 114 1 1 . 1 1 25 25 VAL H H 25 8.454 8.454 8.281 0.173 19544 115 1 1 . 1 1 26 26 SER N N 26 121.619 121.619 118.713 2.906 19544 116 1 1 . 1 1 26 26 SER HA H 26 4.676 4.676 4.714 -0.038 19544 117 1 1 . 1 1 26 26 SER CA C 26 56.360 56.360 57.808 -1.448 19544 118 1 1 . 1 1 26 26 SER CB C 26 63.802 63.802 63.849 -0.047 19544 119 1 1 . 1 1 26 26 SER H H 26 8.571 8.571 8.439 0.132 19544 120 1 1 . 1 1 27 27 GLY N N 27 118.284 118.284 117.547 0.737 19544 121 1 1 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.710 0.705 19544 122 1 1 . 1 1 27 27 GLY H H 27 9.023 9.023 8.802 0.221 19544 123 1 1 . 1 1 28 28 GLN N N 28 124.398 124.398 122.928 1.470 19544 124 1 1 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.492 -0.202 19544 125 1 1 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.252 -0.040 19544 126 1 1 . 1 1 28 28 GLN CB C 28 29.553 29.553 30.183 -0.630 19544 127 1 1 . 1 1 28 28 GLN H H 28 8.776 8.776 8.444 0.332 19544 128 1 1 . 1 1 29 29 GLN N N 29 117.501 117.501 120.987 -3.486 19544 129 1 1 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.431 0.199 19544 130 1 1 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.429 -1.135 19544 131 1 1 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.251 1.431 19544 132 1 1 . 1 1 29 29 GLN H H 29 8.289 8.289 7.988 0.301 19544 133 1 1 . 1 1 30 30 VAL N N 30 124.451 124.451 121.320 3.131 19544 134 1 1 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.541 0.037 19544 135 1 1 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.217 -0.753 19544 136 1 1 . 1 1 30 30 VAL CB C 30 34.413 34.413 34.093 0.320 19544 137 1 1 . 1 1 30 30 VAL H H 30 9.174 9.174 8.438 0.736 19544 138 1 1 . 1 1 31 31 ARG N N 31 128.251 128.251 128.036 0.215 19544 139 1 1 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.450 0.187 19544 140 1 1 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.792 -0.291 19544 141 1 1 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.853 0.973 19544 142 1 1 . 1 1 31 31 ARG H H 31 8.765 8.765 8.386 0.379 19544 143 1 1 . 1 1 32 32 ILE N N 32 127.573 127.573 124.897 2.676 19544 144 1 1 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.679 -0.019 19544 145 1 1 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.931 -0.363 19544 146 1 1 . 1 1 32 32 ILE CB C 32 41.055 41.055 39.971 1.084 19544 147 1 1 . 1 1 32 32 ILE H H 32 8.949 8.949 8.402 0.547 19544 148 1 1 . 1 1 33 33 GLY N N 33 112.581 112.581 115.420 -2.839 19544 149 1 1 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.459 1.135 19544 150 1 1 . 1 1 33 33 GLY H H 33 9.127 9.127 9.044 0.083 19544 151 1 1 . 1 1 34 34 ILE N N 34 124.726 124.726 120.924 3.802 19544 152 1 1 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.723 0.107 19544 153 1 1 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.136 0.814 19544 154 1 1 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.294 -0.990 19544 155 1 1 . 1 1 34 34 ILE H H 34 9.599 9.599 8.285 1.314 19544 156 1 1 . 1 1 35 35 ASN N N 35 129.529 129.529 124.084 5.445 19544 157 1 1 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.968 0.127 19544 158 1 1 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.448 -0.448 19544 159 1 1 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.312 -0.164 19544 160 1 1 . 1 1 35 35 ASN H H 35 9.035 9.035 8.777 0.258 19544 161 1 1 . 1 1 36 36 ALA N N 36 125.575 125.575 127.777 -2.202 19544 162 1 1 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.198 -0.138 19544 163 1 1 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.395 -0.079 19544 164 1 1 . 1 1 36 36 ALA CB C 36 19.898 19.898 20.991 -1.093 19544 165 1 1 . 1 1 36 36 ALA H H 36 8.231 8.231 8.119 0.112 19544 166 1 1 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.531 -0.119 19544 167 1 1 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.132 0.768 19544 168 1 1 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.685 -0.360 19544 169 1 1 . 1 1 38 38 LYS N N 38 121.064 121.064 121.858 -0.794 19544 170 1 1 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.050 -0.257 19544 171 1 1 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.708 1.090 19544 172 1 1 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.698 0.145 19544 173 1 1 . 1 1 38 38 LYS H H 38 8.555 8.555 8.466 0.089 19544 174 1 1 . 1 1 39 39 ASP N N 39 113.867 113.867 118.569 -4.702 19544 175 1 1 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.501 -0.147 19544 176 1 1 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.752 -0.797 19544 177 1 1 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.132 -1.420 19544 178 1 1 . 1 1 39 39 ASP H H 39 8.159 8.159 8.210 -0.051 19544 179 1 1 . 1 1 40 40 VAL N N 40 122.635 122.635 114.455 8.180 19544 180 1 1 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.466 -0.496 19544 181 1 1 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.795 2.011 19544 182 1 1 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.491 -3.519 19544 183 1 1 . 1 1 40 40 VAL H H 40 8.050 8.050 7.464 0.586 19544 184 1 1 . 1 1 41 41 ALA N N 41 133.705 133.705 125.691 8.014 19544 185 1 1 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.840 -0.385 19544 186 1 1 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.243 0.901 19544 187 1 1 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.857 -0.936 19544 188 1 1 . 1 1 41 41 ALA H H 41 8.917 8.917 8.300 0.617 19544 189 1 1 . 1 1 42 42 VAL N N 42 125.251 125.251 120.230 5.021 19544 190 1 1 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.240 0.159 19544 191 1 1 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.688 -1.101 19544 192 1 1 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.278 0.294 19544 193 1 1 . 1 1 42 42 VAL H H 42 7.870 7.870 7.861 0.009 19544 194 1 1 . 1 1 43 43 HIS N N 43 118.702 118.702 124.002 -5.300 19544 195 1 1 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.957 0.592 19544 196 1 1 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.325 -1.582 19544 197 1 1 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.728 6.056 19544 198 1 1 . 1 1 43 43 HIS H H 43 8.605 8.605 8.259 0.346 19544 199 1 1 . 1 1 44 44 ARG N N 44 121.777 121.777 121.483 0.294 19544 200 1 1 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.410 -0.451 19544 201 1 1 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.893 2.292 19544 202 1 1 . 1 1 44 44 ARG H H 44 8.395 8.395 8.697 -0.302 19544 203 1 1 . 1 1 45 45 GLU N N 45 125.983 125.983 122.407 3.576 19544 204 1 1 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.163 0.246 19544 205 1 1 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.569 0.318 19544 206 1 1 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.806 0.138 19544 207 1 1 . 1 1 45 45 GLU H H 45 7.926 7.926 8.980 -1.054 19544 208 1 1 . 1 1 46 46 GLU N N 46 118.177 118.177 116.806 1.371 19544 209 1 1 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.255 -0.004 19544 210 1 1 . 1 1 46 46 GLU CA C 46 58.573 58.573 57.913 0.660 19544 211 1 1 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.306 -2.456 19544 212 1 1 . 1 1 46 46 GLU H H 46 10.750 10.750 8.695 2.055 19544 213 1 1 . 1 1 47 47 ILE N N 47 122.609 122.609 118.992 3.617 19544 214 1 1 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.175 -0.435 19544 215 1 1 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.823 -0.274 19544 216 1 1 . 1 1 47 47 ILE CB C 47 34.717 34.717 39.222 -4.505 19544 217 1 1 . 1 1 47 47 ILE H H 47 7.166 7.166 7.673 -0.507 19544 218 1 1 . 1 1 48 48 TYR N N 48 122.090 122.090 122.683 -0.593 19544 219 1 1 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.963 -0.351 19544 220 1 1 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.244 1.066 19544 221 1 1 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.052 0.995 19544 222 1 1 . 1 1 48 48 TYR H H 48 8.113 8.113 8.852 -0.739 19544 223 1 1 . 1 1 49 49 GLN N N 49 114.980 114.980 116.578 -1.598 19544 224 1 1 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.719 0.125 19544 225 1 1 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.794 0.771 19544 226 1 1 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.503 -0.400 19544 227 1 1 . 1 1 49 49 GLN H H 49 8.573 8.573 8.000 0.573 19544 228 1 1 . 1 1 50 50 ARG N N 50 120.374 120.374 119.974 0.400 19544 229 1 1 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.173 -0.209 19544 230 1 1 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.525 0.628 19544 231 1 1 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.772 -0.363 19544 232 1 1 . 1 1 50 50 ARG H H 50 7.176 7.176 7.663 -0.487 19544 233 1 1 . 1 1 51 51 ILE N N 51 120.770 120.770 119.308 1.462 19544 234 1 1 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.756 -0.188 19544 235 1 1 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.909 0.765 19544 236 1 1 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.574 0.505 19544 237 1 1 . 1 1 51 51 ILE H H 51 7.993 7.993 7.498 0.495 19544 238 1 1 . 1 1 52 52 GLN N N 52 118.553 118.553 116.478 2.075 19544 239 1 1 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.277 -0.490 19544 240 1 1 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.669 1.784 19544 241 1 1 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.622 -0.582 19544 242 1 1 . 1 1 52 52 GLN H H 52 7.927 7.927 7.491 0.436 19544 243 1 1 . 1 1 53 53 ALA N N 53 120.448 120.448 120.895 -0.447 19544 244 1 1 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.616 -0.457 19544 245 1 1 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.056 1.120 19544 246 1 1 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.107 -2.688 19544 247 1 1 . 1 1 53 53 ALA H H 53 7.600 7.600 7.602 -0.002 19544 248 1 1 . 1 1 54 54 GLY N N 54 105.491 105.491 108.061 -2.570 19544 249 1 1 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.578 -0.061 19544 250 1 1 . 1 1 54 54 GLY H H 54 7.671 7.671 8.194 -0.523 19544 251 1 1 . 1 1 55 55 LEU N N 55 120.780 120.780 117.745 3.035 19544 252 1 1 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.758 -0.446 19544 253 1 1 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.148 0.692 19544 254 1 1 . 1 1 55 55 LEU CB C 55 42.133 42.133 42.896 -0.763 19544 255 1 1 . 1 1 55 55 LEU H H 55 7.640 7.640 7.991 -0.351 19544 256 1 1 . 1 1 56 56 THR N N 56 113.308 113.308 109.727 3.581 19544 257 1 1 . 1 1 56 56 THR HA H 56 4.271 4.271 4.454 -0.183 19544 258 1 1 . 1 1 56 56 THR CA C 56 61.302 61.302 62.444 -1.142 19544 259 1 1 . 1 1 56 56 THR CB C 56 69.901 69.901 70.351 -0.450 19544 260 1 1 . 1 1 56 56 THR H H 56 7.788 7.788 8.472 -0.684 19544 261 1 1 . 1 1 57 57 ALA N N 57 127.382 127.382 125.238 2.144 19544 262 1 1 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.353 0.155 19544 263 1 1 . 1 1 57 57 ALA CA C 57 50.519 50.519 52.749 -2.230 19544 264 1 1 . 1 1 57 57 ALA CB C 57 18.234 18.234 17.217 1.017 19544 265 1 1 . 1 1 57 57 ALA H H 57 8.072 8.072 8.069 0.003 19544 266 1 1 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.425 -0.110 19544 267 1 1 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.579 0.770 19544 268 1 1 . 1 1 58 58 PRO CB C 58 31.892 31.892 31.924 -0.031 19544 269 1 2 . 1 1 2 2 LEU N N 2 124.411 124.411 127.860 -3.449 19544 270 1 2 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.816 -0.382 19544 271 1 2 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.028 -0.752 19544 272 1 2 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.945 -0.746 19544 273 1 2 . 1 1 2 2 LEU H H 2 8.389 8.389 8.547 -0.158 19544 274 1 2 . 1 1 3 3 ILE N N 3 130.539 130.539 124.195 6.344 19544 275 1 2 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.185 0.742 19544 276 1 2 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.403 -1.249 19544 277 1 2 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.586 -0.751 19544 278 1 2 . 1 1 3 3 ILE H H 3 10.459 10.459 8.363 2.096 19544 279 1 2 . 1 1 4 4 LEU N N 4 123.187 123.187 126.440 -3.253 19544 280 1 2 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.680 0.180 19544 281 1 2 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.966 -1.512 19544 282 1 2 . 1 1 4 4 LEU CB C 4 46.599 46.599 44.901 1.698 19544 283 1 2 . 1 1 4 4 LEU H H 4 8.600 8.600 8.165 0.435 19544 284 1 2 . 1 1 5 5 THR N N 5 116.018 116.018 114.658 1.360 19544 285 1 2 . 1 1 5 5 THR HA H 5 5.507 5.507 4.565 0.942 19544 286 1 2 . 1 1 5 5 THR CA C 5 60.401 60.401 61.477 -1.076 19544 287 1 2 . 1 1 5 5 THR CB C 5 69.984 69.984 69.568 0.416 19544 288 1 2 . 1 1 5 5 THR H H 5 9.416 9.416 8.255 1.161 19544 289 1 2 . 1 1 6 6 ARG N N 6 123.849 123.849 123.309 0.540 19544 290 1 2 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.489 0.524 19544 291 1 2 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.894 -0.360 19544 292 1 2 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.409 6.374 19544 293 1 2 . 1 1 6 6 ARG H H 6 9.336 9.336 8.476 0.860 19544 294 1 2 . 1 1 7 7 LYS N N 7 123.068 123.068 125.232 -2.164 19544 295 1 2 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.377 0.722 19544 296 1 2 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.566 -1.496 19544 297 1 2 . 1 1 7 7 LYS CB C 7 34.344 34.344 33.733 0.611 19544 298 1 2 . 1 1 7 7 LYS H H 7 9.381 9.381 8.559 0.822 19544 299 1 2 . 1 1 8 8 VAL N N 8 118.072 118.072 120.412 -2.340 19544 300 1 2 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.942 -0.638 19544 301 1 2 . 1 1 8 8 VAL CA C 8 65.828 65.828 62.659 3.169 19544 302 1 2 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.195 0.377 19544 303 1 2 . 1 1 8 8 VAL H H 8 7.682 7.682 8.285 -0.603 19544 304 1 2 . 1 1 9 9 GLY N N 9 115.704 115.704 115.082 0.622 19544 305 1 2 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.916 -0.382 19544 306 1 2 . 1 1 9 9 GLY H H 9 9.252 9.252 8.854 0.398 19544 307 1 2 . 1 1 10 10 GLU N N 10 119.256 119.256 120.639 -1.383 19544 308 1 2 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.877 0.010 19544 309 1 2 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.240 1.518 19544 310 1 2 . 1 1 10 10 GLU CB C 10 32.851 32.851 32.373 0.478 19544 311 1 2 . 1 1 10 10 GLU H H 10 8.332 8.332 7.904 0.428 19544 312 1 2 . 1 1 11 11 SER N N 11 112.505 112.505 112.958 -0.453 19544 313 1 2 . 1 1 11 11 SER HA H 11 5.879 5.879 5.238 0.641 19544 314 1 2 . 1 1 11 11 SER CA C 11 57.963 57.963 57.230 0.733 19544 315 1 2 . 1 1 11 11 SER CB C 11 66.878 66.878 66.187 0.691 19544 316 1 2 . 1 1 11 11 SER H H 11 8.661 8.661 8.344 0.317 19544 317 1 2 . 1 1 12 12 ILE N N 12 124.635 124.635 119.724 4.911 19544 318 1 2 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.501 -0.131 19544 319 1 2 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.164 -0.225 19544 320 1 2 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.952 -0.230 19544 321 1 2 . 1 1 12 12 ILE H H 12 9.320 9.320 8.881 0.439 19544 322 1 2 . 1 1 13 13 ASN N N 13 126.113 126.113 120.856 5.257 19544 323 1 2 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.117 -0.128 19544 324 1 2 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.324 1.103 19544 325 1 2 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.999 -0.566 19544 326 1 2 . 1 1 13 13 ASN H H 13 9.349 9.349 8.406 0.943 19544 327 1 2 . 1 1 14 14 ILE N N 14 123.849 123.849 120.761 3.088 19544 328 1 2 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.414 0.045 19544 329 1 2 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.742 -0.176 19544 330 1 2 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.559 -3.031 19544 331 1 2 . 1 1 14 14 ILE H H 14 8.417 8.417 8.520 -0.103 19544 332 1 2 . 1 1 15 15 GLY N N 15 115.401 115.401 113.690 1.711 19544 333 1 2 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.075 -0.140 19544 334 1 2 . 1 1 15 15 GLY H H 15 9.100 9.100 8.624 0.476 19544 335 1 2 . 1 1 16 16 ASP N N 16 120.669 120.669 122.625 -1.956 19544 336 1 2 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.730 0.206 19544 337 1 2 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.282 0.917 19544 338 1 2 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.469 0.916 19544 339 1 2 . 1 1 16 16 ASP H H 16 8.754 8.754 8.376 0.378 19544 340 1 2 . 1 1 17 17 ASP N N 17 115.502 115.502 119.846 -4.344 19544 341 1 2 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.843 -0.106 19544 342 1 2 . 1 1 17 17 ASP CA C 17 54.077 54.077 54.054 0.023 19544 343 1 2 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.772 -1.268 19544 344 1 2 . 1 1 17 17 ASP H H 17 8.143 8.143 8.018 0.125 19544 345 1 2 . 1 1 18 18 ILE N N 18 118.662 118.662 120.097 -1.435 19544 346 1 2 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.026 0.195 19544 347 1 2 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.144 -0.139 19544 348 1 2 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.191 -2.541 19544 349 1 2 . 1 1 18 18 ILE H H 18 7.177 7.177 7.712 -0.535 19544 350 1 2 . 1 1 19 19 THR N N 19 122.983 122.983 120.772 2.211 19544 351 1 2 . 1 1 19 19 THR HA H 19 5.119 5.119 4.970 0.149 19544 352 1 2 . 1 1 19 19 THR CA C 19 60.918 60.918 61.355 -0.437 19544 353 1 2 . 1 1 19 19 THR CB C 19 71.715 71.715 72.362 -0.647 19544 354 1 2 . 1 1 19 19 THR H H 19 8.953 8.953 8.605 0.348 19544 355 1 2 . 1 1 20 20 ILE N N 20 123.406 123.406 122.227 1.179 19544 356 1 2 . 1 1 20 20 ILE HA H 20 4.925 4.925 5.048 -0.123 19544 357 1 2 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.080 -0.226 19544 358 1 2 . 1 1 20 20 ILE CB C 20 40.376 40.376 41.805 -1.429 19544 359 1 2 . 1 1 20 20 ILE H H 20 8.934 8.934 9.139 -0.205 19544 360 1 2 . 1 1 21 21 THR N N 21 123.706 123.706 119.935 3.771 19544 361 1 2 . 1 1 21 21 THR HA H 21 4.843 4.843 4.897 -0.054 19544 362 1 2 . 1 1 21 21 THR CA C 21 61.530 61.530 61.901 -0.371 19544 363 1 2 . 1 1 21 21 THR CB C 21 71.954 71.954 72.223 -0.269 19544 364 1 2 . 1 1 21 21 THR H H 21 9.413 9.413 8.958 0.455 19544 365 1 2 . 1 1 22 22 ILE N N 22 125.648 125.648 127.067 -1.419 19544 366 1 2 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.541 -0.431 19544 367 1 2 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.311 0.776 19544 368 1 2 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.974 -4.048 19544 369 1 2 . 1 1 22 22 ILE H H 22 8.081 8.081 8.390 -0.309 19544 370 1 2 . 1 1 23 23 LEU N N 23 129.374 129.374 128.281 1.093 19544 371 1 2 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.235 0.294 19544 372 1 2 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.382 -0.808 19544 373 1 2 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.876 0.809 19544 374 1 2 . 1 1 23 23 LEU H H 23 8.819 8.819 8.229 0.590 19544 375 1 2 . 1 1 24 24 GLY N N 24 104.611 104.611 103.867 0.744 19544 376 1 2 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.735 1.170 19544 377 1 2 . 1 1 24 24 GLY H H 24 7.537 7.537 7.510 0.027 19544 378 1 2 . 1 1 25 25 VAL N N 25 120.900 120.900 115.474 5.426 19544 379 1 2 . 1 1 25 25 VAL HA H 25 4.654 4.654 4.742 -0.088 19544 380 1 2 . 1 1 25 25 VAL CA C 25 61.477 61.477 59.967 1.510 19544 381 1 2 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.606 0.134 19544 382 1 2 . 1 1 25 25 VAL H H 25 8.454 8.454 8.183 0.271 19544 383 1 2 . 1 1 26 26 SER N N 26 121.619 121.619 117.253 4.366 19544 384 1 2 . 1 1 26 26 SER HA H 26 4.676 4.676 4.673 0.003 19544 385 1 2 . 1 1 26 26 SER CA C 26 56.360 56.360 58.169 -1.809 19544 386 1 2 . 1 1 26 26 SER CB C 26 63.802 63.802 63.715 0.087 19544 387 1 2 . 1 1 26 26 SER H H 26 8.571 8.571 8.647 -0.076 19544 388 1 2 . 1 1 27 27 GLY N N 27 118.284 118.284 112.788 5.496 19544 389 1 2 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.318 1.097 19544 390 1 2 . 1 1 27 27 GLY H H 27 9.023 9.023 8.415 0.608 19544 391 1 2 . 1 1 28 28 GLN N N 28 124.398 124.398 124.095 0.303 19544 392 1 2 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.458 -0.168 19544 393 1 2 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.451 -0.239 19544 394 1 2 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.367 0.186 19544 395 1 2 . 1 1 28 28 GLN H H 28 8.776 8.776 8.518 0.258 19544 396 1 2 . 1 1 29 29 GLN N N 29 117.501 117.501 119.679 -2.178 19544 397 1 2 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.438 0.192 19544 398 1 2 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.879 -0.585 19544 399 1 2 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.369 1.313 19544 400 1 2 . 1 1 29 29 GLN H H 29 8.289 8.289 7.424 0.865 19544 401 1 2 . 1 1 30 30 VAL N N 30 124.451 124.451 120.919 3.532 19544 402 1 2 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.430 0.148 19544 403 1 2 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.724 -1.260 19544 404 1 2 . 1 1 30 30 VAL CB C 30 34.413 34.413 34.339 0.074 19544 405 1 2 . 1 1 30 30 VAL H H 30 9.174 9.174 8.487 0.687 19544 406 1 2 . 1 1 31 31 ARG N N 31 128.251 128.251 127.757 0.494 19544 407 1 2 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.555 0.082 19544 408 1 2 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.648 -0.146 19544 409 1 2 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.722 1.104 19544 410 1 2 . 1 1 31 31 ARG H H 31 8.765 8.765 8.466 0.299 19544 411 1 2 . 1 1 32 32 ILE N N 32 127.573 127.573 124.655 2.918 19544 412 1 2 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.783 -0.123 19544 413 1 2 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.717 -0.149 19544 414 1 2 . 1 1 32 32 ILE CB C 32 41.055 41.055 40.578 0.477 19544 415 1 2 . 1 1 32 32 ILE H H 32 8.949 8.949 8.299 0.650 19544 416 1 2 . 1 1 33 33 GLY N N 33 112.581 112.581 114.287 -1.706 19544 417 1 2 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.351 1.243 19544 418 1 2 . 1 1 33 33 GLY H H 33 9.127 9.127 8.885 0.242 19544 419 1 2 . 1 1 34 34 ILE N N 34 124.726 124.726 120.809 3.917 19544 420 1 2 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.750 0.080 19544 421 1 2 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.133 0.817 19544 422 1 2 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.299 -0.995 19544 423 1 2 . 1 1 34 34 ILE H H 34 9.599 9.599 8.335 1.264 19544 424 1 2 . 1 1 35 35 ASN N N 35 129.529 129.529 124.088 5.441 19544 425 1 2 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.969 0.126 19544 426 1 2 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.455 -0.455 19544 427 1 2 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.347 -0.199 19544 428 1 2 . 1 1 35 35 ASN H H 35 9.035 9.035 8.781 0.254 19544 429 1 2 . 1 1 36 36 ALA N N 36 125.575 125.575 127.369 -1.794 19544 430 1 2 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.245 -0.185 19544 431 1 2 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.341 -0.025 19544 432 1 2 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.072 -1.174 19544 433 1 2 . 1 1 36 36 ALA H H 36 8.231 8.231 8.116 0.115 19544 434 1 2 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.523 -0.111 19544 435 1 2 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.147 0.753 19544 436 1 2 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.891 -0.566 19544 437 1 2 . 1 1 38 38 LYS N N 38 121.064 121.064 121.670 -0.606 19544 438 1 2 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.091 -0.298 19544 439 1 2 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.696 1.102 19544 440 1 2 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.686 0.157 19544 441 1 2 . 1 1 38 38 LYS H H 38 8.555 8.555 8.565 -0.010 19544 442 1 2 . 1 1 39 39 ASP N N 39 113.867 113.867 118.865 -4.998 19544 443 1 2 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.482 -0.128 19544 444 1 2 . 1 1 39 39 ASP CA C 39 53.955 53.955 55.193 -1.238 19544 445 1 2 . 1 1 39 39 ASP CB C 39 39.712 39.712 40.958 -1.246 19544 446 1 2 . 1 1 39 39 ASP H H 39 8.159 8.159 8.368 -0.209 19544 447 1 2 . 1 1 40 40 VAL N N 40 122.635 122.635 114.703 7.932 19544 448 1 2 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.431 -0.461 19544 449 1 2 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.834 1.972 19544 450 1 2 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.145 -3.173 19544 451 1 2 . 1 1 40 40 VAL H H 40 8.050 8.050 7.521 0.529 19544 452 1 2 . 1 1 41 41 ALA N N 41 133.705 133.705 126.195 7.510 19544 453 1 2 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.834 -0.379 19544 454 1 2 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.200 0.944 19544 455 1 2 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.948 -1.027 19544 456 1 2 . 1 1 41 41 ALA H H 41 8.917 8.917 8.259 0.658 19544 457 1 2 . 1 1 42 42 VAL N N 42 125.251 125.251 120.484 4.767 19544 458 1 2 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.274 0.125 19544 459 1 2 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.481 -0.894 19544 460 1 2 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.217 0.355 19544 461 1 2 . 1 1 42 42 VAL H H 42 7.870 7.870 7.901 -0.031 19544 462 1 2 . 1 1 43 43 HIS N N 43 118.702 118.702 123.977 -5.275 19544 463 1 2 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.867 0.682 19544 464 1 2 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.253 -1.510 19544 465 1 2 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.830 5.954 19544 466 1 2 . 1 1 43 43 HIS H H 43 8.605 8.605 8.287 0.318 19544 467 1 2 . 1 1 44 44 ARG N N 44 121.777 121.777 121.681 0.096 19544 468 1 2 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.368 -0.409 19544 469 1 2 . 1 1 44 44 ARG CA C 44 58.185 58.185 56.050 2.135 19544 470 1 2 . 1 1 44 44 ARG H H 44 8.395 8.395 8.708 -0.313 19544 471 1 2 . 1 1 45 45 GLU N N 45 125.983 125.983 123.011 2.972 19544 472 1 2 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.137 0.272 19544 473 1 2 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.676 0.211 19544 474 1 2 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.820 0.124 19544 475 1 2 . 1 1 45 45 GLU H H 45 7.926 7.926 8.973 -1.047 19544 476 1 2 . 1 1 46 46 GLU N N 46 118.177 118.177 115.497 2.680 19544 477 1 2 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.258 -0.008 19544 478 1 2 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.098 0.475 19544 479 1 2 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.091 -2.241 19544 480 1 2 . 1 1 46 46 GLU H H 46 10.750 10.750 8.629 2.121 19544 481 1 2 . 1 1 47 47 ILE N N 47 122.609 122.609 118.942 3.667 19544 482 1 2 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.224 -0.484 19544 483 1 2 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.773 -0.224 19544 484 1 2 . 1 1 47 47 ILE CB C 47 34.717 34.717 39.287 -4.570 19544 485 1 2 . 1 1 47 47 ILE H H 47 7.166 7.166 7.801 -0.635 19544 486 1 2 . 1 1 48 48 TYR N N 48 122.090 122.090 121.850 0.240 19544 487 1 2 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.906 -0.294 19544 488 1 2 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.160 1.150 19544 489 1 2 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.168 0.879 19544 490 1 2 . 1 1 48 48 TYR H H 48 8.113 8.113 8.752 -0.639 19544 491 1 2 . 1 1 49 49 GLN N N 49 114.980 114.980 116.583 -1.603 19544 492 1 2 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.722 0.122 19544 493 1 2 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.795 0.770 19544 494 1 2 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.517 -0.414 19544 495 1 2 . 1 1 49 49 GLN H H 49 8.573 8.573 7.909 0.664 19544 496 1 2 . 1 1 50 50 ARG N N 50 120.374 120.374 119.977 0.397 19544 497 1 2 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.171 -0.207 19544 498 1 2 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.542 0.611 19544 499 1 2 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.779 -0.370 19544 500 1 2 . 1 1 50 50 ARG H H 50 7.176 7.176 7.669 -0.493 19544 501 1 2 . 1 1 51 51 ILE N N 51 120.770 120.770 119.268 1.502 19544 502 1 2 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.757 -0.189 19544 503 1 2 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.912 0.762 19544 504 1 2 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.558 0.521 19544 505 1 2 . 1 1 51 51 ILE H H 51 7.993 7.993 7.522 0.471 19544 506 1 2 . 1 1 52 52 GLN N N 52 118.553 118.553 116.457 2.096 19544 507 1 2 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.279 -0.492 19544 508 1 2 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.685 1.768 19544 509 1 2 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.644 -0.604 19544 510 1 2 . 1 1 52 52 GLN H H 52 7.927 7.927 7.486 0.441 19544 511 1 2 . 1 1 53 53 ALA N N 53 120.448 120.448 120.916 -0.468 19544 512 1 2 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.600 -0.441 19544 513 1 2 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.046 1.130 19544 514 1 2 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.013 -2.594 19544 515 1 2 . 1 1 53 53 ALA H H 53 7.600 7.600 7.591 0.009 19544 516 1 2 . 1 1 54 54 GLY N N 54 105.491 105.491 107.916 -2.425 19544 517 1 2 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.296 0.221 19544 518 1 2 . 1 1 54 54 GLY H H 54 7.671 7.671 8.336 -0.665 19544 519 1 2 . 1 1 55 55 LEU N N 55 120.780 120.780 117.885 2.895 19544 520 1 2 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.912 -0.600 19544 521 1 2 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.371 0.469 19544 522 1 2 . 1 1 55 55 LEU CB C 55 42.133 42.133 43.753 -1.620 19544 523 1 2 . 1 1 55 55 LEU H H 55 7.640 7.640 8.054 -0.414 19544 524 1 2 . 1 1 56 56 THR N N 56 113.308 113.308 110.482 2.826 19544 525 1 2 . 1 1 56 56 THR HA H 56 4.271 4.271 4.558 -0.287 19544 526 1 2 . 1 1 56 56 THR CA C 56 61.302 61.302 61.969 -0.667 19544 527 1 2 . 1 1 56 56 THR CB C 56 69.901 69.901 69.506 0.395 19544 528 1 2 . 1 1 56 56 THR H H 56 7.788 7.788 8.008 -0.220 19544 529 1 2 . 1 1 57 57 ALA N N 57 127.382 127.382 124.269 3.113 19544 530 1 2 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.304 0.204 19544 531 1 2 . 1 1 57 57 ALA CA C 57 50.519 50.519 52.770 -2.251 19544 532 1 2 . 1 1 57 57 ALA CB C 57 18.234 18.234 17.284 0.950 19544 533 1 2 . 1 1 57 57 ALA H H 57 8.072 8.072 8.055 0.017 19544 534 1 2 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.416 -0.101 19544 535 1 2 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.511 0.838 19544 536 1 2 . 1 1 58 58 PRO CB C 58 31.892 31.892 31.890 0.002 19544 537 1 3 . 1 1 2 2 LEU N N 2 124.411 124.411 128.059 -3.648 19544 538 1 3 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.823 -0.389 19544 539 1 3 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.036 -0.760 19544 540 1 3 . 1 1 2 2 LEU CB C 2 42.199 42.199 43.031 -0.831 19544 541 1 3 . 1 1 2 2 LEU H H 2 8.389 8.389 8.552 -0.163 19544 542 1 3 . 1 1 3 3 ILE N N 3 130.539 130.539 124.148 6.391 19544 543 1 3 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.197 0.730 19544 544 1 3 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.372 -1.218 19544 545 1 3 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.611 -0.777 19544 546 1 3 . 1 1 3 3 ILE H H 3 10.459 10.459 8.363 2.096 19544 547 1 3 . 1 1 4 4 LEU N N 4 123.187 123.187 126.476 -3.289 19544 548 1 3 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.635 0.225 19544 549 1 3 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.710 -1.256 19544 550 1 3 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.061 1.538 19544 551 1 3 . 1 1 4 4 LEU H H 4 8.600 8.600 8.077 0.523 19544 552 1 3 . 1 1 5 5 THR N N 5 116.018 116.018 114.518 1.500 19544 553 1 3 . 1 1 5 5 THR HA H 5 5.507 5.507 4.522 0.985 19544 554 1 3 . 1 1 5 5 THR CA C 5 60.401 60.401 61.616 -1.215 19544 555 1 3 . 1 1 5 5 THR CB C 5 69.984 69.984 69.675 0.309 19544 556 1 3 . 1 1 5 5 THR H H 5 9.416 9.416 8.245 1.171 19544 557 1 3 . 1 1 6 6 ARG N N 6 123.849 123.849 123.335 0.514 19544 558 1 3 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.460 0.553 19544 559 1 3 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.906 -0.371 19544 560 1 3 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.410 6.373 19544 561 1 3 . 1 1 6 6 ARG H H 6 9.336 9.336 8.457 0.879 19544 562 1 3 . 1 1 7 7 LYS N N 7 123.068 123.068 125.042 -1.974 19544 563 1 3 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.391 0.708 19544 564 1 3 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.502 -1.432 19544 565 1 3 . 1 1 7 7 LYS CB C 7 34.344 34.344 33.773 0.572 19544 566 1 3 . 1 1 7 7 LYS H H 7 9.381 9.381 8.542 0.839 19544 567 1 3 . 1 1 8 8 VAL N N 8 118.072 118.072 120.263 -2.191 19544 568 1 3 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.965 -0.661 19544 569 1 3 . 1 1 8 8 VAL CA C 8 65.828 65.828 62.584 3.244 19544 570 1 3 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.360 0.211 19544 571 1 3 . 1 1 8 8 VAL H H 8 7.682 7.682 8.262 -0.580 19544 572 1 3 . 1 1 9 9 GLY N N 9 115.704 115.704 114.924 0.780 19544 573 1 3 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.921 -0.386 19544 574 1 3 . 1 1 9 9 GLY H H 9 9.252 9.252 8.974 0.278 19544 575 1 3 . 1 1 10 10 GLU N N 10 119.256 119.256 120.154 -0.898 19544 576 1 3 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.909 -0.022 19544 577 1 3 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.055 1.703 19544 578 1 3 . 1 1 10 10 GLU CB C 10 32.851 32.851 32.140 0.711 19544 579 1 3 . 1 1 10 10 GLU H H 10 8.332 8.332 7.900 0.432 19544 580 1 3 . 1 1 11 11 SER N N 11 112.505 112.505 113.148 -0.643 19544 581 1 3 . 1 1 11 11 SER HA H 11 5.879 5.879 5.241 0.638 19544 582 1 3 . 1 1 11 11 SER CA C 11 57.963 57.963 57.329 0.634 19544 583 1 3 . 1 1 11 11 SER CB C 11 66.878 66.878 66.434 0.444 19544 584 1 3 . 1 1 11 11 SER H H 11 8.661 8.661 8.367 0.294 19544 585 1 3 . 1 1 12 12 ILE N N 12 124.635 124.635 120.034 4.601 19544 586 1 3 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.492 -0.122 19544 587 1 3 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.217 -0.278 19544 588 1 3 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.991 -0.269 19544 589 1 3 . 1 1 12 12 ILE H H 12 9.320 9.320 8.863 0.457 19544 590 1 3 . 1 1 13 13 ASN N N 13 126.113 126.113 120.260 5.853 19544 591 1 3 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.052 -0.063 19544 592 1 3 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.577 0.850 19544 593 1 3 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.776 -0.342 19544 594 1 3 . 1 1 13 13 ASN H H 13 9.349 9.349 8.461 0.888 19544 595 1 3 . 1 1 14 14 ILE N N 14 123.849 123.849 121.249 2.600 19544 596 1 3 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.454 0.005 19544 597 1 3 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.639 -0.073 19544 598 1 3 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.575 -3.047 19544 599 1 3 . 1 1 14 14 ILE H H 14 8.417 8.417 8.381 0.036 19544 600 1 3 . 1 1 15 15 GLY N N 15 115.401 115.401 113.351 2.050 19544 601 1 3 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.150 -0.214 19544 602 1 3 . 1 1 15 15 GLY H H 15 9.100 9.100 8.575 0.525 19544 603 1 3 . 1 1 16 16 ASP N N 16 120.669 120.669 120.884 -0.215 19544 604 1 3 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.686 0.250 19544 605 1 3 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.122 1.077 19544 606 1 3 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.419 0.967 19544 607 1 3 . 1 1 16 16 ASP H H 16 8.754 8.754 8.340 0.414 19544 608 1 3 . 1 1 17 17 ASP N N 17 115.502 115.502 119.914 -4.412 19544 609 1 3 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.857 -0.120 19544 610 1 3 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.947 0.130 19544 611 1 3 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.913 -1.409 19544 612 1 3 . 1 1 17 17 ASP H H 17 8.143 8.143 7.946 0.197 19544 613 1 3 . 1 1 18 18 ILE N N 18 118.662 118.662 119.991 -1.329 19544 614 1 3 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.035 0.186 19544 615 1 3 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.051 -0.046 19544 616 1 3 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.205 -2.555 19544 617 1 3 . 1 1 18 18 ILE H H 18 7.177 7.177 7.690 -0.513 19544 618 1 3 . 1 1 19 19 THR N N 19 122.983 122.983 120.585 2.398 19544 619 1 3 . 1 1 19 19 THR HA H 19 5.119 5.119 5.002 0.117 19544 620 1 3 . 1 1 19 19 THR CA C 19 60.918 60.918 61.383 -0.465 19544 621 1 3 . 1 1 19 19 THR CB C 19 71.715 71.715 72.424 -0.709 19544 622 1 3 . 1 1 19 19 THR H H 19 8.953 8.953 8.595 0.358 19544 623 1 3 . 1 1 20 20 ILE N N 20 123.406 123.406 122.026 1.380 19544 624 1 3 . 1 1 20 20 ILE HA H 20 4.925 4.925 5.030 -0.105 19544 625 1 3 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.258 -0.404 19544 626 1 3 . 1 1 20 20 ILE CB C 20 40.376 40.376 42.011 -1.635 19544 627 1 3 . 1 1 20 20 ILE H H 20 8.934 8.934 9.098 -0.164 19544 628 1 3 . 1 1 21 21 THR N N 21 123.706 123.706 119.344 4.362 19544 629 1 3 . 1 1 21 21 THR HA H 21 4.843 4.843 4.958 -0.115 19544 630 1 3 . 1 1 21 21 THR CA C 21 61.530 61.530 61.436 0.094 19544 631 1 3 . 1 1 21 21 THR CB C 21 71.954 71.954 72.250 -0.296 19544 632 1 3 . 1 1 21 21 THR H H 21 9.413 9.413 8.941 0.472 19544 633 1 3 . 1 1 22 22 ILE N N 22 125.648 125.648 126.436 -0.788 19544 634 1 3 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.546 -0.436 19544 635 1 3 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.407 0.680 19544 636 1 3 . 1 1 22 22 ILE CB C 22 33.926 33.926 38.159 -4.233 19544 637 1 3 . 1 1 22 22 ILE H H 22 8.081 8.081 8.467 -0.386 19544 638 1 3 . 1 1 23 23 LEU N N 23 129.374 129.374 128.207 1.167 19544 639 1 3 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.274 0.255 19544 640 1 3 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.373 -0.799 19544 641 1 3 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.881 0.804 19544 642 1 3 . 1 1 23 23 LEU H H 23 8.819 8.819 8.265 0.554 19544 643 1 3 . 1 1 24 24 GLY N N 24 104.611 104.611 103.895 0.716 19544 644 1 3 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.846 1.060 19544 645 1 3 . 1 1 24 24 GLY H H 24 7.537 7.537 7.518 0.019 19544 646 1 3 . 1 1 25 25 VAL N N 25 120.900 120.900 116.120 4.780 19544 647 1 3 . 1 1 25 25 VAL HA H 25 4.654 4.654 5.005 -0.351 19544 648 1 3 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.638 2.839 19544 649 1 3 . 1 1 25 25 VAL CB C 25 35.740 35.740 36.291 -0.551 19544 650 1 3 . 1 1 25 25 VAL H H 25 8.454 8.454 8.251 0.203 19544 651 1 3 . 1 1 26 26 SER N N 26 121.619 121.619 118.406 3.213 19544 652 1 3 . 1 1 26 26 SER HA H 26 4.676 4.676 4.792 -0.116 19544 653 1 3 . 1 1 26 26 SER CA C 26 56.360 56.360 57.885 -1.525 19544 654 1 3 . 1 1 26 26 SER CB C 26 63.802 63.802 63.898 -0.096 19544 655 1 3 . 1 1 26 26 SER H H 26 8.571 8.571 8.326 0.245 19544 656 1 3 . 1 1 27 27 GLY N N 27 118.284 118.284 117.597 0.687 19544 657 1 3 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.732 0.683 19544 658 1 3 . 1 1 27 27 GLY H H 27 9.023 9.023 8.800 0.223 19544 659 1 3 . 1 1 28 28 GLN N N 28 124.398 124.398 122.913 1.485 19544 660 1 3 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.498 -0.208 19544 661 1 3 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.197 0.015 19544 662 1 3 . 1 1 28 28 GLN CB C 28 29.553 29.553 30.140 -0.587 19544 663 1 3 . 1 1 28 28 GLN H H 28 8.776 8.776 8.425 0.351 19544 664 1 3 . 1 1 29 29 GLN N N 29 117.501 117.501 120.984 -3.483 19544 665 1 3 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.462 0.168 19544 666 1 3 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.392 -1.098 19544 667 1 3 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.445 1.237 19544 668 1 3 . 1 1 29 29 GLN H H 29 8.289 8.289 8.053 0.236 19544 669 1 3 . 1 1 30 30 VAL N N 30 124.451 124.451 121.382 3.069 19544 670 1 3 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.563 0.015 19544 671 1 3 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.269 -0.805 19544 672 1 3 . 1 1 30 30 VAL CB C 30 34.413 34.413 34.095 0.318 19544 673 1 3 . 1 1 30 30 VAL H H 30 9.174 9.174 8.439 0.735 19544 674 1 3 . 1 1 31 31 ARG N N 31 128.251 128.251 128.053 0.198 19544 675 1 3 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.415 0.222 19544 676 1 3 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.845 -0.344 19544 677 1 3 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.673 1.153 19544 678 1 3 . 1 1 31 31 ARG H H 31 8.765 8.765 8.450 0.315 19544 679 1 3 . 1 1 32 32 ILE N N 32 127.573 127.573 124.375 3.198 19544 680 1 3 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.770 -0.110 19544 681 1 3 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.645 -0.077 19544 682 1 3 . 1 1 32 32 ILE CB C 32 41.055 41.055 40.819 0.236 19544 683 1 3 . 1 1 32 32 ILE H H 32 8.949 8.949 8.342 0.607 19544 684 1 3 . 1 1 33 33 GLY N N 33 112.581 112.581 113.770 -1.189 19544 685 1 3 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.351 1.243 19544 686 1 3 . 1 1 33 33 GLY H H 33 9.127 9.127 8.800 0.327 19544 687 1 3 . 1 1 34 34 ILE N N 34 124.726 124.726 120.755 3.971 19544 688 1 3 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.724 0.106 19544 689 1 3 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.169 0.781 19544 690 1 3 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.278 -0.974 19544 691 1 3 . 1 1 34 34 ILE H H 34 9.599 9.599 8.343 1.256 19544 692 1 3 . 1 1 35 35 ASN N N 35 129.529 129.529 124.196 5.333 19544 693 1 3 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.969 0.126 19544 694 1 3 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.462 -0.461 19544 695 1 3 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.363 -0.215 19544 696 1 3 . 1 1 35 35 ASN H H 35 9.035 9.035 8.791 0.244 19544 697 1 3 . 1 1 36 36 ALA N N 36 125.575 125.575 127.773 -2.198 19544 698 1 3 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.225 -0.165 19544 699 1 3 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.360 -0.044 19544 700 1 3 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.026 -1.127 19544 701 1 3 . 1 1 36 36 ALA H H 36 8.231 8.231 8.122 0.109 19544 702 1 3 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.534 -0.122 19544 703 1 3 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.122 0.778 19544 704 1 3 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.752 -0.427 19544 705 1 3 . 1 1 38 38 LYS N N 38 121.064 121.064 121.709 -0.645 19544 706 1 3 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.085 -0.292 19544 707 1 3 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.769 1.029 19544 708 1 3 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.751 0.092 19544 709 1 3 . 1 1 38 38 LYS H H 38 8.555 8.555 8.556 -0.001 19544 710 1 3 . 1 1 39 39 ASP N N 39 113.867 113.867 117.887 -4.020 19544 711 1 3 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.494 -0.140 19544 712 1 3 . 1 1 39 39 ASP CA C 39 53.955 53.955 55.442 -1.487 19544 713 1 3 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.176 -1.464 19544 714 1 3 . 1 1 39 39 ASP H H 39 8.159 8.159 8.283 -0.124 19544 715 1 3 . 1 1 40 40 VAL N N 40 122.635 122.635 114.835 7.800 19544 716 1 3 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.494 -0.524 19544 717 1 3 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.500 2.306 19544 718 1 3 . 1 1 40 40 VAL CB C 40 31.972 31.972 34.960 -2.988 19544 719 1 3 . 1 1 40 40 VAL H H 40 8.050 8.050 7.597 0.453 19544 720 1 3 . 1 1 41 41 ALA N N 41 133.705 133.705 124.145 9.560 19544 721 1 3 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.625 -0.170 19544 722 1 3 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.037 1.107 19544 723 1 3 . 1 1 41 41 ALA CB C 41 18.921 18.921 20.238 -1.317 19544 724 1 3 . 1 1 41 41 ALA H H 41 8.917 8.917 8.218 0.699 19544 725 1 3 . 1 1 42 42 VAL N N 42 125.251 125.251 120.515 4.736 19544 726 1 3 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.244 0.155 19544 727 1 3 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.504 -0.917 19544 728 1 3 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.166 0.406 19544 729 1 3 . 1 1 42 42 VAL H H 42 7.870 7.870 7.868 0.002 19544 730 1 3 . 1 1 43 43 HIS N N 43 118.702 118.702 124.350 -5.648 19544 731 1 3 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.862 0.687 19544 732 1 3 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.279 -1.536 19544 733 1 3 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.952 5.832 19544 734 1 3 . 1 1 43 43 HIS H H 43 8.605 8.605 8.283 0.322 19544 735 1 3 . 1 1 44 44 ARG N N 44 121.777 121.777 121.510 0.267 19544 736 1 3 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.338 -0.379 19544 737 1 3 . 1 1 44 44 ARG CA C 44 58.185 58.185 56.089 2.096 19544 738 1 3 . 1 1 44 44 ARG H H 44 8.395 8.395 8.708 -0.313 19544 739 1 3 . 1 1 45 45 GLU N N 45 125.983 125.983 122.797 3.186 19544 740 1 3 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.148 0.261 19544 741 1 3 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.717 0.170 19544 742 1 3 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.856 0.088 19544 743 1 3 . 1 1 45 45 GLU H H 45 7.926 7.926 8.998 -1.072 19544 744 1 3 . 1 1 46 46 GLU N N 46 118.177 118.177 116.817 1.360 19544 745 1 3 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.250 0.001 19544 746 1 3 . 1 1 46 46 GLU CA C 46 58.573 58.573 57.869 0.704 19544 747 1 3 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.310 -2.460 19544 748 1 3 . 1 1 46 46 GLU H H 46 10.750 10.750 8.671 2.079 19544 749 1 3 . 1 1 47 47 ILE N N 47 122.609 122.609 119.817 2.792 19544 750 1 3 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.112 -0.372 19544 751 1 3 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.994 -0.445 19544 752 1 3 . 1 1 47 47 ILE CB C 47 34.717 34.717 38.439 -3.722 19544 753 1 3 . 1 1 47 47 ILE H H 47 7.166 7.166 7.700 -0.534 19544 754 1 3 . 1 1 48 48 TYR N N 48 122.090 122.090 121.580 0.510 19544 755 1 3 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.908 -0.296 19544 756 1 3 . 1 1 48 48 TYR CA C 48 62.310 62.310 60.776 1.534 19544 757 1 3 . 1 1 48 48 TYR CB C 48 39.047 39.047 37.962 1.085 19544 758 1 3 . 1 1 48 48 TYR H H 48 8.113 8.113 8.855 -0.742 19544 759 1 3 . 1 1 49 49 GLN N N 49 114.980 114.980 116.425 -1.445 19544 760 1 3 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.649 0.195 19544 761 1 3 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.712 0.853 19544 762 1 3 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.442 -0.339 19544 763 1 3 . 1 1 49 49 GLN H H 49 8.573 8.573 7.953 0.620 19544 764 1 3 . 1 1 50 50 ARG N N 50 120.374 120.374 120.044 0.330 19544 765 1 3 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.163 -0.199 19544 766 1 3 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.454 0.699 19544 767 1 3 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.630 -0.221 19544 768 1 3 . 1 1 50 50 ARG H H 50 7.176 7.176 7.546 -0.370 19544 769 1 3 . 1 1 51 51 ILE N N 51 120.770 120.770 118.933 1.837 19544 770 1 3 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.804 -0.236 19544 771 1 3 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.827 0.847 19544 772 1 3 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.737 0.342 19544 773 1 3 . 1 1 51 51 ILE H H 51 7.993 7.993 7.597 0.396 19544 774 1 3 . 1 1 52 52 GLN N N 52 118.553 118.553 116.549 2.004 19544 775 1 3 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.293 -0.506 19544 776 1 3 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.613 1.840 19544 777 1 3 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.843 -0.803 19544 778 1 3 . 1 1 52 52 GLN H H 52 7.927 7.927 7.526 0.401 19544 779 1 3 . 1 1 53 53 ALA N N 53 120.448 120.448 120.130 0.318 19544 780 1 3 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.635 -0.476 19544 781 1 3 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.084 1.092 19544 782 1 3 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.053 -2.635 19544 783 1 3 . 1 1 53 53 ALA H H 53 7.600 7.600 7.853 -0.253 19544 784 1 3 . 1 1 54 54 GLY N N 54 105.491 105.491 106.726 -1.235 19544 785 1 3 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.557 -0.041 19544 786 1 3 . 1 1 54 54 GLY H H 54 7.671 7.671 7.864 -0.193 19544 787 1 3 . 1 1 55 55 LEU N N 55 120.780 120.780 119.909 0.871 19544 788 1 3 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.833 -0.521 19544 789 1 3 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.461 0.379 19544 790 1 3 . 1 1 55 55 LEU CB C 55 42.133 42.133 43.934 -1.801 19544 791 1 3 . 1 1 55 55 LEU H H 55 7.640 7.640 8.346 -0.706 19544 792 1 3 . 1 1 56 56 THR N N 56 113.308 113.308 115.198 -1.890 19544 793 1 3 . 1 1 56 56 THR HA H 56 4.271 4.271 4.423 -0.152 19544 794 1 3 . 1 1 56 56 THR CA C 56 61.302 61.302 63.292 -1.990 19544 795 1 3 . 1 1 56 56 THR CB C 56 69.901 69.901 69.386 0.515 19544 796 1 3 . 1 1 56 56 THR H H 56 7.788 7.788 8.163 -0.375 19544 797 1 3 . 1 1 57 57 ALA N N 57 127.382 127.382 123.667 3.715 19544 798 1 3 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.657 -0.149 19544 799 1 3 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.066 -0.547 19544 800 1 3 . 1 1 57 57 ALA CB C 57 18.234 18.234 18.816 -0.582 19544 801 1 3 . 1 1 57 57 ALA H H 57 8.072 8.072 7.722 0.350 19544 802 1 3 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.411 -0.096 19544 803 1 3 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.684 0.665 19544 804 1 3 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.294 -0.402 19544 805 1 4 . 1 1 2 2 LEU N N 2 124.411 124.411 128.110 -3.699 19544 806 1 4 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.818 -0.384 19544 807 1 4 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.093 -0.816 19544 808 1 4 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.977 -0.778 19544 809 1 4 . 1 1 2 2 LEU H H 2 8.389 8.389 8.549 -0.160 19544 810 1 4 . 1 1 3 3 ILE N N 3 130.539 130.539 124.090 6.449 19544 811 1 4 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.212 0.715 19544 812 1 4 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.300 -1.146 19544 813 1 4 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.623 -0.790 19544 814 1 4 . 1 1 3 3 ILE H H 3 10.459 10.459 8.360 2.099 19544 815 1 4 . 1 1 4 4 LEU N N 4 123.187 123.187 125.420 -2.233 19544 816 1 4 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.730 0.130 19544 817 1 4 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.679 -1.225 19544 818 1 4 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.020 1.579 19544 819 1 4 . 1 1 4 4 LEU H H 4 8.600 8.600 8.214 0.386 19544 820 1 4 . 1 1 5 5 THR N N 5 116.018 116.018 114.308 1.710 19544 821 1 4 . 1 1 5 5 THR HA H 5 5.507 5.507 4.632 0.875 19544 822 1 4 . 1 1 5 5 THR CA C 5 60.401 60.401 61.548 -1.147 19544 823 1 4 . 1 1 5 5 THR CB C 5 69.984 69.984 69.815 0.169 19544 824 1 4 . 1 1 5 5 THR H H 5 9.416 9.416 8.184 1.232 19544 825 1 4 . 1 1 6 6 ARG N N 6 123.849 123.849 123.274 0.575 19544 826 1 4 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.442 0.571 19544 827 1 4 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.638 -0.103 19544 828 1 4 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.393 6.390 19544 829 1 4 . 1 1 6 6 ARG H H 6 9.336 9.336 8.411 0.925 19544 830 1 4 . 1 1 7 7 LYS N N 7 123.068 123.068 125.440 -2.372 19544 831 1 4 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.502 0.597 19544 832 1 4 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.468 -1.398 19544 833 1 4 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.226 0.118 19544 834 1 4 . 1 1 7 7 LYS H H 7 9.381 9.381 8.568 0.813 19544 835 1 4 . 1 1 8 8 VAL N N 8 118.072 118.072 120.057 -1.985 19544 836 1 4 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.957 -0.653 19544 837 1 4 . 1 1 8 8 VAL CA C 8 65.828 65.828 62.680 3.148 19544 838 1 4 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.713 -0.141 19544 839 1 4 . 1 1 8 8 VAL H H 8 7.682 7.682 8.201 -0.519 19544 840 1 4 . 1 1 9 9 GLY N N 9 115.704 115.704 114.216 1.488 19544 841 1 4 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.910 -0.375 19544 842 1 4 . 1 1 9 9 GLY H H 9 9.252 9.252 9.117 0.135 19544 843 1 4 . 1 1 10 10 GLU N N 10 119.256 119.256 119.805 -0.549 19544 844 1 4 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.801 0.086 19544 845 1 4 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.375 1.383 19544 846 1 4 . 1 1 10 10 GLU CB C 10 32.851 32.851 32.324 0.527 19544 847 1 4 . 1 1 10 10 GLU H H 10 8.332 8.332 7.850 0.482 19544 848 1 4 . 1 1 11 11 SER N N 11 112.505 112.505 113.355 -0.850 19544 849 1 4 . 1 1 11 11 SER HA H 11 5.879 5.879 5.250 0.629 19544 850 1 4 . 1 1 11 11 SER CA C 11 57.963 57.963 57.044 0.919 19544 851 1 4 . 1 1 11 11 SER CB C 11 66.878 66.878 66.420 0.458 19544 852 1 4 . 1 1 11 11 SER H H 11 8.661 8.661 8.334 0.327 19544 853 1 4 . 1 1 12 12 ILE N N 12 124.635 124.635 119.063 5.572 19544 854 1 4 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.534 -0.164 19544 855 1 4 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.202 -0.263 19544 856 1 4 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.962 -0.240 19544 857 1 4 . 1 1 12 12 ILE H H 12 9.320 9.320 8.772 0.548 19544 858 1 4 . 1 1 13 13 ASN N N 13 126.113 126.113 120.909 5.204 19544 859 1 4 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.061 -0.072 19544 860 1 4 . 1 1 13 13 ASN CA C 13 53.427 53.427 51.984 1.443 19544 861 1 4 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.420 0.013 19544 862 1 4 . 1 1 13 13 ASN H H 13 9.349 9.349 8.394 0.955 19544 863 1 4 . 1 1 14 14 ILE N N 14 123.849 123.849 122.150 1.699 19544 864 1 4 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.402 0.057 19544 865 1 4 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.806 -0.240 19544 866 1 4 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.678 -3.150 19544 867 1 4 . 1 1 14 14 ILE H H 14 8.417 8.417 8.475 -0.058 19544 868 1 4 . 1 1 15 15 GLY N N 15 115.401 115.401 113.464 1.937 19544 869 1 4 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.194 -0.258 19544 870 1 4 . 1 1 15 15 GLY H H 15 9.100 9.100 8.563 0.537 19544 871 1 4 . 1 1 16 16 ASP N N 16 120.669 120.669 120.185 0.484 19544 872 1 4 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.652 0.284 19544 873 1 4 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.072 1.127 19544 874 1 4 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.739 0.647 19544 875 1 4 . 1 1 16 16 ASP H H 16 8.754 8.754 8.377 0.377 19544 876 1 4 . 1 1 17 17 ASP N N 17 115.502 115.502 119.850 -4.348 19544 877 1 4 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.857 -0.120 19544 878 1 4 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.971 0.106 19544 879 1 4 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.969 -1.466 19544 880 1 4 . 1 1 17 17 ASP H H 17 8.143 8.143 7.912 0.231 19544 881 1 4 . 1 1 18 18 ILE N N 18 118.662 118.662 120.030 -1.368 19544 882 1 4 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.037 0.184 19544 883 1 4 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.068 -0.063 19544 884 1 4 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.227 -2.576 19544 885 1 4 . 1 1 18 18 ILE H H 18 7.177 7.177 7.725 -0.548 19544 886 1 4 . 1 1 19 19 THR N N 19 122.983 122.983 120.368 2.615 19544 887 1 4 . 1 1 19 19 THR HA H 19 5.119 5.119 4.964 0.155 19544 888 1 4 . 1 1 19 19 THR CA C 19 60.918 60.918 61.336 -0.418 19544 889 1 4 . 1 1 19 19 THR CB C 19 71.715 71.715 72.457 -0.742 19544 890 1 4 . 1 1 19 19 THR H H 19 8.953 8.953 8.651 0.302 19544 891 1 4 . 1 1 20 20 ILE N N 20 123.406 123.406 121.901 1.505 19544 892 1 4 . 1 1 20 20 ILE HA H 20 4.925 4.925 4.930 -0.005 19544 893 1 4 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.121 -0.267 19544 894 1 4 . 1 1 20 20 ILE CB C 20 40.376 40.376 41.997 -1.621 19544 895 1 4 . 1 1 20 20 ILE H H 20 8.934 8.934 9.152 -0.218 19544 896 1 4 . 1 1 21 21 THR N N 21 123.706 123.706 120.515 3.191 19544 897 1 4 . 1 1 21 21 THR HA H 21 4.843 4.843 4.907 -0.064 19544 898 1 4 . 1 1 21 21 THR CA C 21 61.530 61.530 61.720 -0.190 19544 899 1 4 . 1 1 21 21 THR CB C 21 71.954 71.954 71.686 0.268 19544 900 1 4 . 1 1 21 21 THR H H 21 9.413 9.413 8.894 0.519 19544 901 1 4 . 1 1 22 22 ILE N N 22 125.648 125.648 129.321 -3.673 19544 902 1 4 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.290 -0.180 19544 903 1 4 . 1 1 22 22 ILE CA C 22 59.087 59.087 59.011 0.076 19544 904 1 4 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.496 -3.570 19544 905 1 4 . 1 1 22 22 ILE H H 22 8.081 8.081 8.442 -0.361 19544 906 1 4 . 1 1 23 23 LEU N N 23 129.374 129.374 128.749 0.625 19544 907 1 4 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.246 0.283 19544 908 1 4 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.308 -0.734 19544 909 1 4 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.926 0.759 19544 910 1 4 . 1 1 23 23 LEU H H 23 8.819 8.819 8.208 0.611 19544 911 1 4 . 1 1 24 24 GLY N N 24 104.611 104.611 103.848 0.763 19544 912 1 4 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.878 1.027 19544 913 1 4 . 1 1 24 24 GLY H H 24 7.537 7.537 7.520 0.017 19544 914 1 4 . 1 1 25 25 VAL N N 25 120.900 120.900 115.729 5.171 19544 915 1 4 . 1 1 25 25 VAL HA H 25 4.654 4.654 4.989 -0.335 19544 916 1 4 . 1 1 25 25 VAL CA C 25 61.477 61.477 59.067 2.410 19544 917 1 4 . 1 1 25 25 VAL CB C 25 35.740 35.740 36.132 -0.392 19544 918 1 4 . 1 1 25 25 VAL H H 25 8.454 8.454 8.283 0.171 19544 919 1 4 . 1 1 26 26 SER N N 26 121.619 121.619 118.371 3.248 19544 920 1 4 . 1 1 26 26 SER HA H 26 4.676 4.676 4.610 0.066 19544 921 1 4 . 1 1 26 26 SER CA C 26 56.360 56.360 58.201 -1.841 19544 922 1 4 . 1 1 26 26 SER CB C 26 63.802 63.802 64.045 -0.243 19544 923 1 4 . 1 1 26 26 SER H H 26 8.571 8.571 8.535 0.036 19544 924 1 4 . 1 1 27 27 GLY N N 27 118.284 118.284 115.812 2.472 19544 925 1 4 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.352 1.063 19544 926 1 4 . 1 1 27 27 GLY H H 27 9.023 9.023 8.623 0.400 19544 927 1 4 . 1 1 28 28 GLN N N 28 124.398 124.398 123.925 0.473 19544 928 1 4 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.514 -0.224 19544 929 1 4 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.381 -0.169 19544 930 1 4 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.452 0.101 19544 931 1 4 . 1 1 28 28 GLN H H 28 8.776 8.776 8.585 0.191 19544 932 1 4 . 1 1 29 29 GLN N N 29 117.501 117.501 120.156 -2.655 19544 933 1 4 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.341 0.289 19544 934 1 4 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.878 -0.584 19544 935 1 4 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.064 1.618 19544 936 1 4 . 1 1 29 29 GLN H H 29 8.289 8.289 7.619 0.670 19544 937 1 4 . 1 1 30 30 VAL N N 30 124.451 124.451 120.403 4.048 19544 938 1 4 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.481 0.097 19544 939 1 4 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.579 -1.115 19544 940 1 4 . 1 1 30 30 VAL CB C 30 34.413 34.413 34.186 0.227 19544 941 1 4 . 1 1 30 30 VAL H H 30 9.174 9.174 8.351 0.823 19544 942 1 4 . 1 1 31 31 ARG N N 31 128.251 128.251 127.859 0.392 19544 943 1 4 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.454 0.183 19544 944 1 4 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.657 -0.156 19544 945 1 4 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.862 0.964 19544 946 1 4 . 1 1 31 31 ARG H H 31 8.765 8.765 8.454 0.310 19544 947 1 4 . 1 1 32 32 ILE N N 32 127.573 127.573 124.557 3.016 19544 948 1 4 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.656 0.004 19544 949 1 4 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.941 -0.373 19544 950 1 4 . 1 1 32 32 ILE CB C 32 41.055 41.055 40.166 0.888 19544 951 1 4 . 1 1 32 32 ILE H H 32 8.949 8.949 8.488 0.461 19544 952 1 4 . 1 1 33 33 GLY N N 33 112.581 112.581 115.045 -2.464 19544 953 1 4 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.330 1.264 19544 954 1 4 . 1 1 33 33 GLY H H 33 9.127 9.127 9.059 0.068 19544 955 1 4 . 1 1 34 34 ILE N N 34 124.726 124.726 120.777 3.949 19544 956 1 4 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.687 0.143 19544 957 1 4 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.172 0.778 19544 958 1 4 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.267 -0.963 19544 959 1 4 . 1 1 34 34 ILE H H 34 9.599 9.599 8.301 1.298 19544 960 1 4 . 1 1 35 35 ASN N N 35 129.529 129.529 124.057 5.472 19544 961 1 4 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.976 0.119 19544 962 1 4 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.396 -0.396 19544 963 1 4 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.317 -0.169 19544 964 1 4 . 1 1 35 35 ASN H H 35 9.035 9.035 8.827 0.208 19544 965 1 4 . 1 1 36 36 ALA N N 36 125.575 125.575 127.470 -1.895 19544 966 1 4 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.208 -0.148 19544 967 1 4 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.406 -0.090 19544 968 1 4 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.054 -1.156 19544 969 1 4 . 1 1 36 36 ALA H H 36 8.231 8.231 8.123 0.108 19544 970 1 4 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.528 -0.116 19544 971 1 4 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.116 0.784 19544 972 1 4 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.897 -0.571 19544 973 1 4 . 1 1 38 38 LYS N N 38 121.064 121.064 121.595 -0.531 19544 974 1 4 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.054 -0.261 19544 975 1 4 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.685 1.113 19544 976 1 4 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.703 0.140 19544 977 1 4 . 1 1 38 38 LYS H H 38 8.555 8.555 8.461 0.094 19544 978 1 4 . 1 1 39 39 ASP N N 39 113.867 113.867 118.558 -4.691 19544 979 1 4 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.500 -0.146 19544 980 1 4 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.727 -0.772 19544 981 1 4 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.126 -1.414 19544 982 1 4 . 1 1 39 39 ASP H H 39 8.159 8.159 8.215 -0.056 19544 983 1 4 . 1 1 40 40 VAL N N 40 122.635 122.635 114.366 8.269 19544 984 1 4 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.470 -0.500 19544 985 1 4 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.792 2.014 19544 986 1 4 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.548 -3.576 19544 987 1 4 . 1 1 40 40 VAL H H 40 8.050 8.050 7.454 0.596 19544 988 1 4 . 1 1 41 41 ALA N N 41 133.705 133.705 125.537 8.168 19544 989 1 4 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.852 -0.397 19544 990 1 4 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.197 0.947 19544 991 1 4 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.919 -0.998 19544 992 1 4 . 1 1 41 41 ALA H H 41 8.917 8.917 8.298 0.619 19544 993 1 4 . 1 1 42 42 VAL N N 42 125.251 125.251 120.216 5.035 19544 994 1 4 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.242 0.157 19544 995 1 4 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.655 -1.068 19544 996 1 4 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.280 0.292 19544 997 1 4 . 1 1 42 42 VAL H H 42 7.870 7.870 7.852 0.018 19544 998 1 4 . 1 1 43 43 HIS N N 43 118.702 118.702 123.872 -5.170 19544 999 1 4 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.941 0.608 19544 1000 1 4 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.331 -1.588 19544 1001 1 4 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.762 6.022 19544 1002 1 4 . 1 1 43 43 HIS H H 43 8.605 8.605 8.257 0.348 19544 1003 1 4 . 1 1 44 44 ARG N N 44 121.777 121.777 121.438 0.339 19544 1004 1 4 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.382 -0.423 19544 1005 1 4 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.965 2.220 19544 1006 1 4 . 1 1 44 44 ARG H H 44 8.395 8.395 8.698 -0.303 19544 1007 1 4 . 1 1 45 45 GLU N N 45 125.983 125.983 122.236 3.747 19544 1008 1 4 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.154 0.255 19544 1009 1 4 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.589 0.298 19544 1010 1 4 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.811 0.133 19544 1011 1 4 . 1 1 45 45 GLU H H 45 7.926 7.926 8.974 -1.048 19544 1012 1 4 . 1 1 46 46 GLU N N 46 118.177 118.177 115.415 2.762 19544 1013 1 4 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.271 -0.020 19544 1014 1 4 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.073 0.500 19544 1015 1 4 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.166 -2.316 19544 1016 1 4 . 1 1 46 46 GLU H H 46 10.750 10.750 8.601 2.149 19544 1017 1 4 . 1 1 47 47 ILE N N 47 122.609 122.609 118.732 3.877 19544 1018 1 4 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.222 -0.482 19544 1019 1 4 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.587 -0.038 19544 1020 1 4 . 1 1 47 47 ILE CB C 47 34.717 34.717 39.175 -4.458 19544 1021 1 4 . 1 1 47 47 ILE H H 47 7.166 7.166 7.653 -0.487 19544 1022 1 4 . 1 1 48 48 TYR N N 48 122.090 122.090 122.594 -0.504 19544 1023 1 4 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.968 -0.356 19544 1024 1 4 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.244 1.066 19544 1025 1 4 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.032 1.015 19544 1026 1 4 . 1 1 48 48 TYR H H 48 8.113 8.113 8.846 -0.733 19544 1027 1 4 . 1 1 49 49 GLN N N 49 114.980 114.980 116.601 -1.621 19544 1028 1 4 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.726 0.118 19544 1029 1 4 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.817 0.748 19544 1030 1 4 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.501 -0.398 19544 1031 1 4 . 1 1 49 49 GLN H H 49 8.573 8.573 8.049 0.524 19544 1032 1 4 . 1 1 50 50 ARG N N 50 120.374 120.374 119.974 0.400 19544 1033 1 4 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.169 -0.205 19544 1034 1 4 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.560 0.592 19544 1035 1 4 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.771 -0.362 19544 1036 1 4 . 1 1 50 50 ARG H H 50 7.176 7.176 7.658 -0.482 19544 1037 1 4 . 1 1 51 51 ILE N N 51 120.770 120.770 119.303 1.467 19544 1038 1 4 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.749 -0.181 19544 1039 1 4 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.927 0.747 19544 1040 1 4 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.557 0.522 19544 1041 1 4 . 1 1 51 51 ILE H H 51 7.993 7.993 7.496 0.497 19544 1042 1 4 . 1 1 52 52 GLN N N 52 118.553 118.553 116.451 2.102 19544 1043 1 4 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.271 -0.484 19544 1044 1 4 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.715 1.738 19544 1045 1 4 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.580 -0.540 19544 1046 1 4 . 1 1 52 52 GLN H H 52 7.927 7.927 7.473 0.454 19544 1047 1 4 . 1 1 53 53 ALA N N 53 120.448 120.448 120.913 -0.465 19544 1048 1 4 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.607 -0.448 19544 1049 1 4 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.063 1.113 19544 1050 1 4 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.051 -2.632 19544 1051 1 4 . 1 1 53 53 ALA H H 53 7.600 7.600 7.633 -0.033 19544 1052 1 4 . 1 1 54 54 GLY N N 54 105.491 105.491 107.846 -2.355 19544 1053 1 4 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.370 0.147 19544 1054 1 4 . 1 1 54 54 GLY H H 54 7.671 7.671 8.369 -0.698 19544 1055 1 4 . 1 1 55 55 LEU N N 55 120.780 120.780 117.512 3.268 19544 1056 1 4 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.872 -0.560 19544 1057 1 4 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.584 0.256 19544 1058 1 4 . 1 1 55 55 LEU CB C 55 42.133 42.133 43.137 -1.004 19544 1059 1 4 . 1 1 55 55 LEU H H 55 7.640 7.640 8.016 -0.376 19544 1060 1 4 . 1 1 56 56 THR N N 56 113.308 113.308 112.342 0.966 19544 1061 1 4 . 1 1 56 56 THR HA H 56 4.271 4.271 4.485 -0.214 19544 1062 1 4 . 1 1 56 56 THR CA C 56 61.302 61.302 62.131 -0.829 19544 1063 1 4 . 1 1 56 56 THR CB C 56 69.901 69.901 69.471 0.430 19544 1064 1 4 . 1 1 56 56 THR H H 56 7.788 7.788 8.165 -0.377 19544 1065 1 4 . 1 1 57 57 ALA N N 57 127.382 127.382 124.489 2.893 19544 1066 1 4 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.336 0.172 19544 1067 1 4 . 1 1 57 57 ALA CA C 57 50.519 50.519 52.870 -2.351 19544 1068 1 4 . 1 1 57 57 ALA CB C 57 18.234 18.234 17.459 0.775 19544 1069 1 4 . 1 1 57 57 ALA H H 57 8.072 8.072 8.069 0.003 19544 1070 1 4 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.368 -0.053 19544 1071 1 4 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.477 0.872 19544 1072 1 4 . 1 1 58 58 PRO CB C 58 31.892 31.892 31.944 -0.052 19544 1073 1 5 . 1 1 2 2 LEU N N 2 124.411 124.411 127.637 -3.226 19544 1074 1 5 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.809 -0.375 19544 1075 1 5 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.076 -0.800 19544 1076 1 5 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.958 -0.759 19544 1077 1 5 . 1 1 2 2 LEU H H 2 8.389 8.389 8.540 -0.151 19544 1078 1 5 . 1 1 3 3 ILE N N 3 130.539 130.539 124.163 6.376 19544 1079 1 5 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.176 0.751 19544 1080 1 5 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.448 -1.294 19544 1081 1 5 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.563 -0.729 19544 1082 1 5 . 1 1 3 3 ILE H H 3 10.459 10.459 8.348 2.111 19544 1083 1 5 . 1 1 4 4 LEU N N 4 123.187 123.187 126.834 -3.647 19544 1084 1 5 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.657 0.203 19544 1085 1 5 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.738 -1.284 19544 1086 1 5 . 1 1 4 4 LEU CB C 4 46.599 46.599 44.987 1.612 19544 1087 1 5 . 1 1 4 4 LEU H H 4 8.600 8.600 8.163 0.437 19544 1088 1 5 . 1 1 5 5 THR N N 5 116.018 116.018 115.488 0.530 19544 1089 1 5 . 1 1 5 5 THR HA H 5 5.507 5.507 4.639 0.868 19544 1090 1 5 . 1 1 5 5 THR CA C 5 60.401 60.401 61.544 -1.143 19544 1091 1 5 . 1 1 5 5 THR CB C 5 69.984 69.984 69.668 0.316 19544 1092 1 5 . 1 1 5 5 THR H H 5 9.416 9.416 8.222 1.194 19544 1093 1 5 . 1 1 6 6 ARG N N 6 123.849 123.849 121.361 2.488 19544 1094 1 5 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.895 0.118 19544 1095 1 5 . 1 1 6 6 ARG CA C 6 55.534 55.534 54.710 0.824 19544 1096 1 5 . 1 1 6 6 ARG CB C 6 38.783 38.783 33.219 5.564 19544 1097 1 5 . 1 1 6 6 ARG H H 6 9.336 9.336 8.271 1.065 19544 1098 1 5 . 1 1 7 7 LYS N N 7 123.068 123.068 121.968 1.100 19544 1099 1 5 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.548 0.551 19544 1100 1 5 . 1 1 7 7 LYS CA C 7 54.070 54.070 54.798 -0.728 19544 1101 1 5 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.510 -0.166 19544 1102 1 5 . 1 1 7 7 LYS H H 7 9.381 9.381 8.991 0.390 19544 1103 1 5 . 1 1 8 8 VAL N N 8 118.072 118.072 121.269 -3.197 19544 1104 1 5 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.994 -0.690 19544 1105 1 5 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.563 2.264 19544 1106 1 5 . 1 1 8 8 VAL CB C 8 31.572 31.572 29.933 1.639 19544 1107 1 5 . 1 1 8 8 VAL H H 8 7.682 7.682 8.379 -0.697 19544 1108 1 5 . 1 1 9 9 GLY N N 9 115.704 115.704 116.459 -0.755 19544 1109 1 5 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.823 -0.288 19544 1110 1 5 . 1 1 9 9 GLY H H 9 9.252 9.252 9.150 0.102 19544 1111 1 5 . 1 1 10 10 GLU N N 10 119.256 119.256 120.784 -1.528 19544 1112 1 5 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.576 0.311 19544 1113 1 5 . 1 1 10 10 GLU CA C 10 55.758 55.758 55.841 -0.083 19544 1114 1 5 . 1 1 10 10 GLU CB C 10 32.851 32.851 30.952 1.899 19544 1115 1 5 . 1 1 10 10 GLU H H 10 8.332 8.332 8.472 -0.140 19544 1116 1 5 . 1 1 11 11 SER N N 11 112.505 112.505 112.147 0.358 19544 1117 1 5 . 1 1 11 11 SER HA H 11 5.879 5.879 5.169 0.710 19544 1118 1 5 . 1 1 11 11 SER CA C 11 57.963 57.963 57.524 0.439 19544 1119 1 5 . 1 1 11 11 SER CB C 11 66.878 66.878 66.414 0.464 19544 1120 1 5 . 1 1 11 11 SER H H 11 8.661 8.661 8.400 0.261 19544 1121 1 5 . 1 1 12 12 ILE N N 12 124.635 124.635 120.196 4.439 19544 1122 1 5 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.507 -0.137 19544 1123 1 5 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.337 -0.398 19544 1124 1 5 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.893 -0.171 19544 1125 1 5 . 1 1 12 12 ILE H H 12 9.320 9.320 8.726 0.594 19544 1126 1 5 . 1 1 13 13 ASN N N 13 126.113 126.113 120.027 6.086 19544 1127 1 5 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.050 -0.061 19544 1128 1 5 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.593 0.834 19544 1129 1 5 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.822 -0.388 19544 1130 1 5 . 1 1 13 13 ASN H H 13 9.349 9.349 8.449 0.900 19544 1131 1 5 . 1 1 14 14 ILE N N 14 123.849 123.849 121.232 2.617 19544 1132 1 5 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.458 0.001 19544 1133 1 5 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.628 -0.062 19544 1134 1 5 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.647 -3.119 19544 1135 1 5 . 1 1 14 14 ILE H H 14 8.417 8.417 8.395 0.022 19544 1136 1 5 . 1 1 15 15 GLY N N 15 115.401 115.401 113.141 2.260 19544 1137 1 5 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.033 -0.097 19544 1138 1 5 . 1 1 15 15 GLY H H 15 9.100 9.100 8.617 0.483 19544 1139 1 5 . 1 1 16 16 ASP N N 16 120.669 120.669 122.591 -1.922 19544 1140 1 5 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.733 0.203 19544 1141 1 5 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.278 0.921 19544 1142 1 5 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.467 0.919 19544 1143 1 5 . 1 1 16 16 ASP H H 16 8.754 8.754 8.370 0.384 19544 1144 1 5 . 1 1 17 17 ASP N N 17 115.502 115.502 119.803 -4.301 19544 1145 1 5 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.844 -0.107 19544 1146 1 5 . 1 1 17 17 ASP CA C 17 54.077 54.077 54.048 0.029 19544 1147 1 5 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.811 -1.307 19544 1148 1 5 . 1 1 17 17 ASP H H 17 8.143 8.143 8.015 0.128 19544 1149 1 5 . 1 1 18 18 ILE N N 18 118.662 118.662 120.111 -1.449 19544 1150 1 5 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.032 0.189 19544 1151 1 5 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.069 -0.064 19544 1152 1 5 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.105 -2.455 19544 1153 1 5 . 1 1 18 18 ILE H H 18 7.177 7.177 7.698 -0.521 19544 1154 1 5 . 1 1 19 19 THR N N 19 122.983 122.983 120.735 2.248 19544 1155 1 5 . 1 1 19 19 THR HA H 19 5.119 5.119 5.005 0.114 19544 1156 1 5 . 1 1 19 19 THR CA C 19 60.918 60.918 61.337 -0.419 19544 1157 1 5 . 1 1 19 19 THR CB C 19 71.715 71.715 72.399 -0.684 19544 1158 1 5 . 1 1 19 19 THR H H 19 8.953 8.953 8.719 0.234 19544 1159 1 5 . 1 1 20 20 ILE N N 20 123.406 123.406 122.152 1.254 19544 1160 1 5 . 1 1 20 20 ILE HA H 20 4.925 4.925 4.968 -0.043 19544 1161 1 5 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.094 -0.240 19544 1162 1 5 . 1 1 20 20 ILE CB C 20 40.376 40.376 41.737 -1.361 19544 1163 1 5 . 1 1 20 20 ILE H H 20 8.934 8.934 9.196 -0.262 19544 1164 1 5 . 1 1 21 21 THR N N 21 123.706 123.706 119.926 3.780 19544 1165 1 5 . 1 1 21 21 THR HA H 21 4.843 4.843 4.964 -0.121 19544 1166 1 5 . 1 1 21 21 THR CA C 21 61.530 61.530 61.784 -0.254 19544 1167 1 5 . 1 1 21 21 THR CB C 21 71.954 71.954 72.584 -0.630 19544 1168 1 5 . 1 1 21 21 THR H H 21 9.413 9.413 9.017 0.396 19544 1169 1 5 . 1 1 22 22 ILE N N 22 125.648 125.648 126.795 -1.147 19544 1170 1 5 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.588 -0.478 19544 1171 1 5 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.099 0.988 19544 1172 1 5 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.873 -3.946 19544 1173 1 5 . 1 1 22 22 ILE H H 22 8.081 8.081 8.564 -0.483 19544 1174 1 5 . 1 1 23 23 LEU N N 23 129.374 129.374 127.774 1.600 19544 1175 1 5 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.192 0.337 19544 1176 1 5 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.377 -0.803 19544 1177 1 5 . 1 1 23 23 LEU CB C 23 42.685 42.685 42.046 0.639 19544 1178 1 5 . 1 1 23 23 LEU H H 23 8.819 8.819 8.380 0.439 19544 1179 1 5 . 1 1 24 24 GLY N N 24 104.611 104.611 103.649 0.962 19544 1180 1 5 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.771 1.134 19544 1181 1 5 . 1 1 24 24 GLY H H 24 7.537 7.537 7.573 -0.036 19544 1182 1 5 . 1 1 25 25 VAL N N 25 120.900 120.900 116.379 4.521 19544 1183 1 5 . 1 1 25 25 VAL HA H 25 4.654 4.654 4.869 -0.215 19544 1184 1 5 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.482 2.995 19544 1185 1 5 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.550 0.190 19544 1186 1 5 . 1 1 25 25 VAL H H 25 8.454 8.454 8.321 0.133 19544 1187 1 5 . 1 1 26 26 SER N N 26 121.619 121.619 116.061 5.558 19544 1188 1 5 . 1 1 26 26 SER HA H 26 4.676 4.676 4.620 0.056 19544 1189 1 5 . 1 1 26 26 SER CA C 26 56.360 56.360 57.598 -1.238 19544 1190 1 5 . 1 1 26 26 SER CB C 26 63.802 63.802 64.097 -0.295 19544 1191 1 5 . 1 1 26 26 SER H H 26 8.571 8.571 8.513 0.058 19544 1192 1 5 . 1 1 27 27 GLY N N 27 118.284 118.284 116.138 2.146 19544 1193 1 5 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.458 0.957 19544 1194 1 5 . 1 1 27 27 GLY H H 27 9.023 9.023 8.689 0.334 19544 1195 1 5 . 1 1 28 28 GLN N N 28 124.398 124.398 123.924 0.474 19544 1196 1 5 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.495 -0.205 19544 1197 1 5 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.424 -0.212 19544 1198 1 5 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.370 0.183 19544 1199 1 5 . 1 1 28 28 GLN H H 28 8.776 8.776 8.583 0.193 19544 1200 1 5 . 1 1 29 29 GLN N N 29 117.501 117.501 119.776 -2.275 19544 1201 1 5 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.350 0.280 19544 1202 1 5 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.711 -0.417 19544 1203 1 5 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.213 1.469 19544 1204 1 5 . 1 1 29 29 GLN H H 29 8.289 8.289 7.622 0.667 19544 1205 1 5 . 1 1 30 30 VAL N N 30 124.451 124.451 120.634 3.817 19544 1206 1 5 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.516 0.062 19544 1207 1 5 . 1 1 30 30 VAL CA C 30 60.464 60.464 60.962 -0.497 19544 1208 1 5 . 1 1 30 30 VAL CB C 30 34.413 34.413 34.222 0.191 19544 1209 1 5 . 1 1 30 30 VAL H H 30 9.174 9.174 8.347 0.827 19544 1210 1 5 . 1 1 31 31 ARG N N 31 128.251 128.251 127.960 0.291 19544 1211 1 5 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.408 0.229 19544 1212 1 5 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.915 -0.414 19544 1213 1 5 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.717 1.109 19544 1214 1 5 . 1 1 31 31 ARG H H 31 8.765 8.765 8.409 0.356 19544 1215 1 5 . 1 1 32 32 ILE N N 32 127.573 127.573 123.491 4.082 19544 1216 1 5 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.778 -0.118 19544 1217 1 5 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.650 -0.082 19544 1218 1 5 . 1 1 32 32 ILE CB C 32 41.055 41.055 41.131 -0.076 19544 1219 1 5 . 1 1 32 32 ILE H H 32 8.949 8.949 8.431 0.518 19544 1220 1 5 . 1 1 33 33 GLY N N 33 112.581 112.581 112.935 -0.354 19544 1221 1 5 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.712 0.882 19544 1222 1 5 . 1 1 33 33 GLY H H 33 9.127 9.127 9.026 0.101 19544 1223 1 5 . 1 1 34 34 ILE N N 34 124.726 124.726 120.441 4.285 19544 1224 1 5 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.728 0.102 19544 1225 1 5 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.207 0.743 19544 1226 1 5 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.556 -1.252 19544 1227 1 5 . 1 1 34 34 ILE H H 34 9.599 9.599 8.164 1.435 19544 1228 1 5 . 1 1 35 35 ASN N N 35 129.529 129.529 124.021 5.508 19544 1229 1 5 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.983 0.112 19544 1230 1 5 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.381 -0.381 19544 1231 1 5 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.401 -0.253 19544 1232 1 5 . 1 1 35 35 ASN H H 35 9.035 9.035 8.869 0.166 19544 1233 1 5 . 1 1 36 36 ALA N N 36 125.575 125.575 127.557 -1.982 19544 1234 1 5 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.189 -0.129 19544 1235 1 5 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.440 -0.124 19544 1236 1 5 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.063 -1.165 19544 1237 1 5 . 1 1 36 36 ALA H H 36 8.231 8.231 8.134 0.097 19544 1238 1 5 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.533 -0.121 19544 1239 1 5 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.136 0.764 19544 1240 1 5 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.882 -0.556 19544 1241 1 5 . 1 1 38 38 LYS N N 38 121.064 121.064 121.813 -0.749 19544 1242 1 5 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.040 -0.247 19544 1243 1 5 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.755 1.043 19544 1244 1 5 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.675 0.168 19544 1245 1 5 . 1 1 38 38 LYS H H 38 8.555 8.555 8.471 0.084 19544 1246 1 5 . 1 1 39 39 ASP N N 39 113.867 113.867 118.740 -4.873 19544 1247 1 5 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.503 -0.149 19544 1248 1 5 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.685 -0.730 19544 1249 1 5 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.148 -1.436 19544 1250 1 5 . 1 1 39 39 ASP H H 39 8.159 8.159 8.226 -0.067 19544 1251 1 5 . 1 1 40 40 VAL N N 40 122.635 122.635 113.307 9.328 19544 1252 1 5 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.506 -0.536 19544 1253 1 5 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.907 1.899 19544 1254 1 5 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.671 -3.699 19544 1255 1 5 . 1 1 40 40 VAL H H 40 8.050 8.050 7.504 0.546 19544 1256 1 5 . 1 1 41 41 ALA N N 41 133.705 133.705 124.263 9.442 19544 1257 1 5 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.689 -0.234 19544 1258 1 5 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.133 1.011 19544 1259 1 5 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.890 -0.970 19544 1260 1 5 . 1 1 41 41 ALA H H 41 8.917 8.917 8.282 0.635 19544 1261 1 5 . 1 1 42 42 VAL N N 42 125.251 125.251 120.483 4.768 19544 1262 1 5 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.207 0.192 19544 1263 1 5 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.692 -1.105 19544 1264 1 5 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.226 0.346 19544 1265 1 5 . 1 1 42 42 VAL H H 42 7.870 7.870 7.804 0.066 19544 1266 1 5 . 1 1 43 43 HIS N N 43 118.702 118.702 124.159 -5.457 19544 1267 1 5 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.924 0.625 19544 1268 1 5 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.325 -1.582 19544 1269 1 5 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.882 5.902 19544 1270 1 5 . 1 1 43 43 HIS H H 43 8.605 8.605 8.235 0.370 19544 1271 1 5 . 1 1 44 44 ARG N N 44 121.777 121.777 121.436 0.341 19544 1272 1 5 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.336 -0.377 19544 1273 1 5 . 1 1 44 44 ARG CA C 44 58.185 58.185 56.093 2.092 19544 1274 1 5 . 1 1 44 44 ARG H H 44 8.395 8.395 8.705 -0.310 19544 1275 1 5 . 1 1 45 45 GLU N N 45 125.983 125.983 122.253 3.730 19544 1276 1 5 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.156 0.253 19544 1277 1 5 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.610 0.277 19544 1278 1 5 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.829 0.115 19544 1279 1 5 . 1 1 45 45 GLU H H 45 7.926 7.926 8.979 -1.053 19544 1280 1 5 . 1 1 46 46 GLU N N 46 118.177 118.177 116.715 1.462 19544 1281 1 5 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.249 0.002 19544 1282 1 5 . 1 1 46 46 GLU CA C 46 58.573 58.573 57.969 0.604 19544 1283 1 5 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.285 -2.435 19544 1284 1 5 . 1 1 46 46 GLU H H 46 10.750 10.750 8.681 2.069 19544 1285 1 5 . 1 1 47 47 ILE N N 47 122.609 122.609 119.307 3.302 19544 1286 1 5 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.164 -0.424 19544 1287 1 5 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.870 -0.321 19544 1288 1 5 . 1 1 47 47 ILE CB C 47 34.717 34.717 39.030 -4.313 19544 1289 1 5 . 1 1 47 47 ILE H H 47 7.166 7.166 7.660 -0.494 19544 1290 1 5 . 1 1 48 48 TYR N N 48 122.090 122.090 122.419 -0.329 19544 1291 1 5 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.964 -0.352 19544 1292 1 5 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.065 1.245 19544 1293 1 5 . 1 1 48 48 TYR CB C 48 39.047 39.047 37.968 1.079 19544 1294 1 5 . 1 1 48 48 TYR H H 48 8.113 8.113 8.816 -0.703 19544 1295 1 5 . 1 1 49 49 GLN N N 49 114.980 114.980 116.428 -1.448 19544 1296 1 5 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.681 0.163 19544 1297 1 5 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.720 0.845 19544 1298 1 5 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.496 -0.393 19544 1299 1 5 . 1 1 49 49 GLN H H 49 8.573 8.573 8.012 0.561 19544 1300 1 5 . 1 1 50 50 ARG N N 50 120.374 120.374 119.958 0.416 19544 1301 1 5 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.181 -0.217 19544 1302 1 5 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.314 0.839 19544 1303 1 5 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.645 -0.235 19544 1304 1 5 . 1 1 50 50 ARG H H 50 7.176 7.176 7.664 -0.488 19544 1305 1 5 . 1 1 51 51 ILE N N 51 120.770 120.770 118.759 2.011 19544 1306 1 5 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.792 -0.224 19544 1307 1 5 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.653 1.021 19544 1308 1 5 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.803 0.276 19544 1309 1 5 . 1 1 51 51 ILE H H 51 7.993 7.993 7.484 0.509 19544 1310 1 5 . 1 1 52 52 GLN N N 52 118.553 118.553 116.421 2.132 19544 1311 1 5 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.310 -0.523 19544 1312 1 5 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.394 2.059 19544 1313 1 5 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.774 -0.734 19544 1314 1 5 . 1 1 52 52 GLN H H 52 7.927 7.927 7.600 0.327 19544 1315 1 5 . 1 1 53 53 ALA N N 53 120.448 120.448 120.657 -0.209 19544 1316 1 5 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.544 -0.385 19544 1317 1 5 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.153 1.023 19544 1318 1 5 . 1 1 53 53 ALA CB C 53 18.419 18.419 20.195 -1.776 19544 1319 1 5 . 1 1 53 53 ALA H H 53 7.600 7.600 7.577 0.023 19544 1320 1 5 . 1 1 54 54 GLY N N 54 105.491 105.491 106.467 -0.976 19544 1321 1 5 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.895 0.621 19544 1322 1 5 . 1 1 54 54 GLY H H 54 7.671 7.671 7.881 -0.210 19544 1323 1 5 . 1 1 55 55 LEU N N 55 120.780 120.780 118.601 2.179 19544 1324 1 5 . 1 1 55 55 LEU HA H 55 4.312 4.312 3.999 0.313 19544 1325 1 5 . 1 1 55 55 LEU CA C 55 54.840 54.840 55.493 -0.653 19544 1326 1 5 . 1 1 55 55 LEU CB C 55 42.133 42.133 40.740 1.393 19544 1327 1 5 . 1 1 55 55 LEU H H 55 7.640 7.640 7.733 -0.093 19544 1328 1 5 . 1 1 56 56 THR N N 56 113.308 113.308 113.985 -0.677 19544 1329 1 5 . 1 1 56 56 THR HA H 56 4.271 4.271 4.384 -0.113 19544 1330 1 5 . 1 1 56 56 THR CA C 56 61.302 61.302 62.599 -1.296 19544 1331 1 5 . 1 1 56 56 THR CB C 56 69.901 69.901 69.481 0.420 19544 1332 1 5 . 1 1 56 56 THR H H 56 7.788 7.788 8.080 -0.292 19544 1333 1 5 . 1 1 57 57 ALA N N 57 127.382 127.382 124.343 3.039 19544 1334 1 5 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.673 -0.165 19544 1335 1 5 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.168 -0.649 19544 1336 1 5 . 1 1 57 57 ALA CB C 57 18.234 18.234 19.525 -1.291 19544 1337 1 5 . 1 1 57 57 ALA H H 57 8.072 8.072 7.628 0.444 19544 1338 1 5 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.431 -0.116 19544 1339 1 5 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.629 0.720 19544 1340 1 5 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.373 -0.481 19544 1341 1 6 . 1 1 2 2 LEU N N 2 124.411 124.411 128.254 -3.843 19544 1342 1 6 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.819 -0.385 19544 1343 1 6 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.053 -0.777 19544 1344 1 6 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.973 -0.774 19544 1345 1 6 . 1 1 2 2 LEU H H 2 8.389 8.389 8.564 -0.175 19544 1346 1 6 . 1 1 3 3 ILE N N 3 130.539 130.539 124.183 6.356 19544 1347 1 6 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.200 0.727 19544 1348 1 6 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.389 -1.235 19544 1349 1 6 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.573 -0.739 19544 1350 1 6 . 1 1 3 3 ILE H H 3 10.459 10.459 8.377 2.082 19544 1351 1 6 . 1 1 4 4 LEU N N 4 123.187 123.187 127.142 -3.955 19544 1352 1 6 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.665 0.195 19544 1353 1 6 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.745 -1.290 19544 1354 1 6 . 1 1 4 4 LEU CB C 4 46.599 46.599 44.973 1.626 19544 1355 1 6 . 1 1 4 4 LEU H H 4 8.600 8.600 8.204 0.396 19544 1356 1 6 . 1 1 5 5 THR N N 5 116.018 116.018 115.298 0.720 19544 1357 1 6 . 1 1 5 5 THR HA H 5 5.507 5.507 4.585 0.922 19544 1358 1 6 . 1 1 5 5 THR CA C 5 60.401 60.401 61.562 -1.161 19544 1359 1 6 . 1 1 5 5 THR CB C 5 69.984 69.984 69.716 0.268 19544 1360 1 6 . 1 1 5 5 THR H H 5 9.416 9.416 8.204 1.212 19544 1361 1 6 . 1 1 6 6 ARG N N 6 123.849 123.849 121.864 1.985 19544 1362 1 6 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.792 0.221 19544 1363 1 6 . 1 1 6 6 ARG CA C 6 55.534 55.534 54.823 0.711 19544 1364 1 6 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.876 5.907 19544 1365 1 6 . 1 1 6 6 ARG H H 6 9.336 9.336 8.222 1.114 19544 1366 1 6 . 1 1 7 7 LYS N N 7 123.068 123.068 123.533 -0.465 19544 1367 1 6 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.464 0.635 19544 1368 1 6 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.532 -1.462 19544 1369 1 6 . 1 1 7 7 LYS CB C 7 34.344 34.344 33.545 0.799 19544 1370 1 6 . 1 1 7 7 LYS H H 7 9.381 9.381 9.118 0.263 19544 1371 1 6 . 1 1 8 8 VAL N N 8 118.072 118.072 119.974 -1.902 19544 1372 1 6 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.955 -0.651 19544 1373 1 6 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.246 2.582 19544 1374 1 6 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.086 0.486 19544 1375 1 6 . 1 1 8 8 VAL H H 8 7.682 7.682 8.248 -0.566 19544 1376 1 6 . 1 1 9 9 GLY N N 9 115.704 115.704 115.124 0.580 19544 1377 1 6 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.827 -0.292 19544 1378 1 6 . 1 1 9 9 GLY H H 9 9.252 9.252 9.197 0.055 19544 1379 1 6 . 1 1 10 10 GLU N N 10 119.256 119.256 120.683 -1.427 19544 1380 1 6 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.585 0.302 19544 1381 1 6 . 1 1 10 10 GLU CA C 10 55.758 55.758 55.760 -0.002 19544 1382 1 6 . 1 1 10 10 GLU CB C 10 32.851 32.851 31.003 1.848 19544 1383 1 6 . 1 1 10 10 GLU H H 10 8.332 8.332 8.170 0.162 19544 1384 1 6 . 1 1 11 11 SER N N 11 112.505 112.505 112.248 0.257 19544 1385 1 6 . 1 1 11 11 SER HA H 11 5.879 5.879 5.216 0.663 19544 1386 1 6 . 1 1 11 11 SER CA C 11 57.963 57.963 57.495 0.468 19544 1387 1 6 . 1 1 11 11 SER CB C 11 66.878 66.878 66.370 0.508 19544 1388 1 6 . 1 1 11 11 SER H H 11 8.661 8.661 8.385 0.276 19544 1389 1 6 . 1 1 12 12 ILE N N 12 124.635 124.635 120.576 4.059 19544 1390 1 6 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.556 -0.186 19544 1391 1 6 . 1 1 12 12 ILE CA C 12 59.939 59.939 59.777 0.162 19544 1392 1 6 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.678 0.044 19544 1393 1 6 . 1 1 12 12 ILE H H 12 9.320 9.320 8.888 0.432 19544 1394 1 6 . 1 1 13 13 ASN N N 13 126.113 126.113 119.974 6.139 19544 1395 1 6 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.039 -0.050 19544 1396 1 6 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.666 0.760 19544 1397 1 6 . 1 1 13 13 ASN CB C 13 41.434 41.434 42.188 -0.754 19544 1398 1 6 . 1 1 13 13 ASN H H 13 9.349 9.349 8.464 0.885 19544 1399 1 6 . 1 1 14 14 ILE N N 14 123.849 123.849 121.100 2.749 19544 1400 1 6 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.459 -0.000 19544 1401 1 6 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.611 -0.045 19544 1402 1 6 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.689 -3.161 19544 1403 1 6 . 1 1 14 14 ILE H H 14 8.417 8.417 8.415 0.002 19544 1404 1 6 . 1 1 15 15 GLY N N 15 115.401 115.401 112.634 2.767 19544 1405 1 6 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.421 -0.485 19544 1406 1 6 . 1 1 15 15 GLY H H 15 9.100 9.100 8.584 0.516 19544 1407 1 6 . 1 1 16 16 ASP N N 16 120.669 120.669 121.645 -0.976 19544 1408 1 6 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.731 0.205 19544 1409 1 6 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.339 0.860 19544 1410 1 6 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.407 0.979 19544 1411 1 6 . 1 1 16 16 ASP H H 16 8.754 8.754 8.272 0.482 19544 1412 1 6 . 1 1 17 17 ASP N N 17 115.502 115.502 118.967 -3.465 19544 1413 1 6 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.775 -0.038 19544 1414 1 6 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.930 0.147 19544 1415 1 6 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.714 -1.210 19544 1416 1 6 . 1 1 17 17 ASP H H 17 8.143 8.143 7.945 0.198 19544 1417 1 6 . 1 1 18 18 ILE N N 18 118.662 118.662 120.055 -1.393 19544 1418 1 6 . 1 1 18 18 ILE HA H 18 5.221 5.221 4.973 0.248 19544 1419 1 6 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.365 -0.360 19544 1420 1 6 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.039 -2.389 19544 1421 1 6 . 1 1 18 18 ILE H H 18 7.177 7.177 7.661 -0.484 19544 1422 1 6 . 1 1 19 19 THR N N 19 122.983 122.983 121.110 1.873 19544 1423 1 6 . 1 1 19 19 THR HA H 19 5.119 5.119 4.978 0.141 19544 1424 1 6 . 1 1 19 19 THR CA C 19 60.918 60.918 61.383 -0.465 19544 1425 1 6 . 1 1 19 19 THR CB C 19 71.715 71.715 72.099 -0.384 19544 1426 1 6 . 1 1 19 19 THR H H 19 8.953 8.953 8.760 0.193 19544 1427 1 6 . 1 1 20 20 ILE N N 20 123.406 123.406 121.824 1.582 19544 1428 1 6 . 1 1 20 20 ILE HA H 20 4.925 4.925 5.005 -0.080 19544 1429 1 6 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.194 -0.340 19544 1430 1 6 . 1 1 20 20 ILE CB C 20 40.376 40.376 42.103 -1.728 19544 1431 1 6 . 1 1 20 20 ILE H H 20 8.934 8.934 9.033 -0.099 19544 1432 1 6 . 1 1 21 21 THR N N 21 123.706 123.706 119.360 4.346 19544 1433 1 6 . 1 1 21 21 THR HA H 21 4.843 4.843 4.924 -0.081 19544 1434 1 6 . 1 1 21 21 THR CA C 21 61.530 61.530 61.384 0.146 19544 1435 1 6 . 1 1 21 21 THR CB C 21 71.954 71.954 72.218 -0.264 19544 1436 1 6 . 1 1 21 21 THR H H 21 9.413 9.413 8.910 0.503 19544 1437 1 6 . 1 1 22 22 ILE N N 22 125.648 125.648 126.244 -0.596 19544 1438 1 6 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.541 -0.431 19544 1439 1 6 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.456 0.631 19544 1440 1 6 . 1 1 22 22 ILE CB C 22 33.926 33.926 38.234 -4.308 19544 1441 1 6 . 1 1 22 22 ILE H H 22 8.081 8.081 8.369 -0.288 19544 1442 1 6 . 1 1 23 23 LEU N N 23 129.374 129.374 128.455 0.919 19544 1443 1 6 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.268 0.261 19544 1444 1 6 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.414 -0.840 19544 1445 1 6 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.911 0.774 19544 1446 1 6 . 1 1 23 23 LEU H H 23 8.819 8.819 8.287 0.532 19544 1447 1 6 . 1 1 24 24 GLY N N 24 104.611 104.611 103.868 0.743 19544 1448 1 6 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.645 1.260 19544 1449 1 6 . 1 1 24 24 GLY H H 24 7.537 7.537 7.521 0.016 19544 1450 1 6 . 1 1 25 25 VAL N N 25 120.900 120.900 114.459 6.441 19544 1451 1 6 . 1 1 25 25 VAL HA H 25 4.654 4.654 4.811 -0.157 19544 1452 1 6 . 1 1 25 25 VAL CA C 25 61.477 61.477 59.960 1.517 19544 1453 1 6 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.414 0.326 19544 1454 1 6 . 1 1 25 25 VAL H H 25 8.454 8.454 8.234 0.220 19544 1455 1 6 . 1 1 26 26 SER N N 26 121.619 121.619 117.999 3.620 19544 1456 1 6 . 1 1 26 26 SER HA H 26 4.676 4.676 4.701 -0.025 19544 1457 1 6 . 1 1 26 26 SER CA C 26 56.360 56.360 58.490 -2.130 19544 1458 1 6 . 1 1 26 26 SER CB C 26 63.802 63.802 64.603 -0.801 19544 1459 1 6 . 1 1 26 26 SER H H 26 8.571 8.571 8.505 0.066 19544 1460 1 6 . 1 1 27 27 GLY N N 27 118.284 118.284 115.604 2.680 19544 1461 1 6 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.345 1.070 19544 1462 1 6 . 1 1 27 27 GLY H H 27 9.023 9.023 8.615 0.408 19544 1463 1 6 . 1 1 28 28 GLN N N 28 124.398 124.398 123.889 0.509 19544 1464 1 6 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.503 -0.213 19544 1465 1 6 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.408 -0.196 19544 1466 1 6 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.410 0.143 19544 1467 1 6 . 1 1 28 28 GLN H H 28 8.776 8.776 8.584 0.192 19544 1468 1 6 . 1 1 29 29 GLN N N 29 117.501 117.501 120.162 -2.661 19544 1469 1 6 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.321 0.309 19544 1470 1 6 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.959 -0.666 19544 1471 1 6 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.009 1.673 19544 1472 1 6 . 1 1 29 29 GLN H H 29 8.289 8.289 7.608 0.681 19544 1473 1 6 . 1 1 30 30 VAL N N 30 124.451 124.451 120.407 4.044 19544 1474 1 6 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.476 0.102 19544 1475 1 6 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.659 -1.195 19544 1476 1 6 . 1 1 30 30 VAL CB C 30 34.413 34.413 33.971 0.442 19544 1477 1 6 . 1 1 30 30 VAL H H 30 9.174 9.174 8.343 0.831 19544 1478 1 6 . 1 1 31 31 ARG N N 31 128.251 128.251 128.021 0.230 19544 1479 1 6 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.439 0.198 19544 1480 1 6 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.739 -0.238 19544 1481 1 6 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.575 1.251 19544 1482 1 6 . 1 1 31 31 ARG H H 31 8.765 8.765 8.420 0.345 19544 1483 1 6 . 1 1 32 32 ILE N N 32 127.573 127.573 124.351 3.222 19544 1484 1 6 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.728 -0.068 19544 1485 1 6 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.701 -0.133 19544 1486 1 6 . 1 1 32 32 ILE CB C 32 41.055 41.055 40.652 0.403 19544 1487 1 6 . 1 1 32 32 ILE H H 32 8.949 8.949 8.310 0.639 19544 1488 1 6 . 1 1 33 33 GLY N N 33 112.581 112.581 113.490 -0.909 19544 1489 1 6 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.403 1.192 19544 1490 1 6 . 1 1 33 33 GLY H H 33 9.127 9.127 8.809 0.318 19544 1491 1 6 . 1 1 34 34 ILE N N 34 124.726 124.726 120.623 4.103 19544 1492 1 6 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.689 0.141 19544 1493 1 6 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.219 0.731 19544 1494 1 6 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.381 -1.077 19544 1495 1 6 . 1 1 34 34 ILE H H 34 9.599 9.599 8.351 1.248 19544 1496 1 6 . 1 1 35 35 ASN N N 35 129.529 129.529 124.022 5.507 19544 1497 1 6 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.981 0.114 19544 1498 1 6 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.427 -0.427 19544 1499 1 6 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.426 -0.278 19544 1500 1 6 . 1 1 35 35 ASN H H 35 9.035 9.035 8.908 0.127 19544 1501 1 6 . 1 1 36 36 ALA N N 36 125.575 125.575 127.937 -2.362 19544 1502 1 6 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.153 -0.093 19544 1503 1 6 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.403 -0.087 19544 1504 1 6 . 1 1 36 36 ALA CB C 36 19.898 19.898 20.996 -1.098 19544 1505 1 6 . 1 1 36 36 ALA H H 36 8.231 8.231 8.142 0.089 19544 1506 1 6 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.529 -0.117 19544 1507 1 6 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.119 0.781 19544 1508 1 6 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.683 -0.358 19544 1509 1 6 . 1 1 38 38 LYS N N 38 121.064 121.064 121.755 -0.691 19544 1510 1 6 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.049 -0.256 19544 1511 1 6 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.677 1.121 19544 1512 1 6 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.703 0.140 19544 1513 1 6 . 1 1 38 38 LYS H H 38 8.555 8.555 8.461 0.094 19544 1514 1 6 . 1 1 39 39 ASP N N 39 113.867 113.867 118.562 -4.695 19544 1515 1 6 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.495 -0.141 19544 1516 1 6 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.762 -0.807 19544 1517 1 6 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.120 -1.409 19544 1518 1 6 . 1 1 39 39 ASP H H 39 8.159 8.159 8.213 -0.054 19544 1519 1 6 . 1 1 40 40 VAL N N 40 122.635 122.635 114.333 8.302 19544 1520 1 6 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.460 -0.490 19544 1521 1 6 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.791 2.015 19544 1522 1 6 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.506 -3.534 19544 1523 1 6 . 1 1 40 40 VAL H H 40 8.050 8.050 7.438 0.612 19544 1524 1 6 . 1 1 41 41 ALA N N 41 133.705 133.705 125.629 8.076 19544 1525 1 6 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.839 -0.384 19544 1526 1 6 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.228 0.916 19544 1527 1 6 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.851 -0.930 19544 1528 1 6 . 1 1 41 41 ALA H H 41 8.917 8.917 8.290 0.627 19544 1529 1 6 . 1 1 42 42 VAL N N 42 125.251 125.251 120.237 5.014 19544 1530 1 6 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.227 0.172 19544 1531 1 6 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.617 -1.030 19544 1532 1 6 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.295 0.277 19544 1533 1 6 . 1 1 42 42 VAL H H 42 7.870 7.870 7.859 0.011 19544 1534 1 6 . 1 1 43 43 HIS N N 43 118.702 118.702 124.344 -5.642 19544 1535 1 6 . 1 1 43 43 HIS HA H 43 5.549 5.549 5.009 0.540 19544 1536 1 6 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.431 -1.688 19544 1537 1 6 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.920 5.864 19544 1538 1 6 . 1 1 43 43 HIS H H 43 8.605 8.605 8.212 0.393 19544 1539 1 6 . 1 1 44 44 ARG N N 44 121.777 121.777 121.225 0.552 19544 1540 1 6 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.464 -0.505 19544 1541 1 6 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.720 2.465 19544 1542 1 6 . 1 1 44 44 ARG H H 44 8.395 8.395 8.609 -0.214 19544 1543 1 6 . 1 1 45 45 GLU N N 45 125.983 125.983 121.791 4.192 19544 1544 1 6 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.144 0.265 19544 1545 1 6 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.616 0.271 19544 1546 1 6 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.696 0.248 19544 1547 1 6 . 1 1 45 45 GLU H H 45 7.926 7.926 9.033 -1.107 19544 1548 1 6 . 1 1 46 46 GLU N N 46 118.177 118.177 116.612 1.565 19544 1549 1 6 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.248 0.003 19544 1550 1 6 . 1 1 46 46 GLU CA C 46 58.573 58.573 57.900 0.673 19544 1551 1 6 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.384 -2.534 19544 1552 1 6 . 1 1 46 46 GLU H H 46 10.750 10.750 8.628 2.122 19544 1553 1 6 . 1 1 47 47 ILE N N 47 122.609 122.609 119.192 3.417 19544 1554 1 6 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.167 -0.427 19544 1555 1 6 . 1 1 47 47 ILE CA C 47 60.549 60.549 61.000 -0.451 19544 1556 1 6 . 1 1 47 47 ILE CB C 47 34.717 34.717 39.007 -4.290 19544 1557 1 6 . 1 1 47 47 ILE H H 47 7.166 7.166 8.012 -0.846 19544 1558 1 6 . 1 1 48 48 TYR N N 48 122.090 122.090 122.553 -0.463 19544 1559 1 6 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.942 -0.330 19544 1560 1 6 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.142 1.168 19544 1561 1 6 . 1 1 48 48 TYR CB C 48 39.047 39.047 37.988 1.059 19544 1562 1 6 . 1 1 48 48 TYR H H 48 8.113 8.113 8.793 -0.680 19544 1563 1 6 . 1 1 49 49 GLN N N 49 114.980 114.980 115.502 -0.522 19544 1564 1 6 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.624 0.220 19544 1565 1 6 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.606 0.959 19544 1566 1 6 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.559 -0.456 19544 1567 1 6 . 1 1 49 49 GLN H H 49 8.573 8.573 7.836 0.737 19544 1568 1 6 . 1 1 50 50 ARG N N 50 120.374 120.374 118.387 1.987 19544 1569 1 6 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.133 -0.169 19544 1570 1 6 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.307 0.846 19544 1571 1 6 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.588 -0.179 19544 1572 1 6 . 1 1 50 50 ARG H H 50 7.176 7.176 7.572 -0.396 19544 1573 1 6 . 1 1 51 51 ILE N N 51 120.770 120.770 120.446 0.324 19544 1574 1 6 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.742 -0.174 19544 1575 1 6 . 1 1 51 51 ILE CA C 51 64.674 64.674 64.082 0.592 19544 1576 1 6 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.566 0.513 19544 1577 1 6 . 1 1 51 51 ILE H H 51 7.993 7.993 7.555 0.438 19544 1578 1 6 . 1 1 52 52 GLN N N 52 118.553 118.553 115.656 2.897 19544 1579 1 6 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.280 -0.493 19544 1580 1 6 . 1 1 52 52 GLN CA C 52 57.453 57.453 54.929 2.524 19544 1581 1 6 . 1 1 52 52 GLN CB C 52 28.040 28.040 27.892 0.148 19544 1582 1 6 . 1 1 52 52 GLN H H 52 7.927 7.927 7.400 0.527 19544 1583 1 6 . 1 1 53 53 ALA N N 53 120.448 120.448 122.208 -1.760 19544 1584 1 6 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.256 -0.097 19544 1585 1 6 . 1 1 53 53 ALA CA C 53 53.176 53.176 53.278 -0.102 19544 1586 1 6 . 1 1 53 53 ALA CB C 53 18.419 18.419 19.558 -1.139 19544 1587 1 6 . 1 1 53 53 ALA H H 53 7.600 7.600 7.429 0.171 19544 1588 1 6 . 1 1 54 54 GLY N N 54 105.491 105.491 105.124 0.367 19544 1589 1 6 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.804 0.713 19544 1590 1 6 . 1 1 54 54 GLY H H 54 7.671 7.671 8.181 -0.510 19544 1591 1 6 . 1 1 55 55 LEU N N 55 120.780 120.780 117.031 3.749 19544 1592 1 6 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.964 -0.652 19544 1593 1 6 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.197 0.643 19544 1594 1 6 . 1 1 55 55 LEU CB C 55 42.133 42.133 42.882 -0.749 19544 1595 1 6 . 1 1 55 55 LEU H H 55 7.640 7.640 7.520 0.120 19544 1596 1 6 . 1 1 56 56 THR N N 56 113.308 113.308 110.072 3.236 19544 1597 1 6 . 1 1 56 56 THR HA H 56 4.271 4.271 4.473 -0.202 19544 1598 1 6 . 1 1 56 56 THR CA C 56 61.302 61.302 60.962 0.340 19544 1599 1 6 . 1 1 56 56 THR CB C 56 69.901 69.901 68.932 0.969 19544 1600 1 6 . 1 1 56 56 THR H H 56 7.788 7.788 8.089 -0.301 19544 1601 1 6 . 1 1 57 57 ALA N N 57 127.382 127.382 122.193 5.189 19544 1602 1 6 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.050 0.458 19544 1603 1 6 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.412 -0.893 19544 1604 1 6 . 1 1 57 57 ALA CB C 57 18.234 18.234 18.034 0.200 19544 1605 1 6 . 1 1 57 57 ALA H H 57 8.072 8.072 8.175 -0.103 19544 1606 1 6 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.373 -0.058 19544 1607 1 6 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.283 1.066 19544 1608 1 6 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.425 -0.533 19544 1609 1 7 . 1 1 2 2 LEU N N 2 124.411 124.411 128.100 -3.689 19544 1610 1 7 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.819 -0.385 19544 1611 1 7 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.094 -0.819 19544 1612 1 7 . 1 1 2 2 LEU CB C 2 42.199 42.199 43.010 -0.811 19544 1613 1 7 . 1 1 2 2 LEU H H 2 8.389 8.389 8.554 -0.165 19544 1614 1 7 . 1 1 3 3 ILE N N 3 130.539 130.539 124.128 6.411 19544 1615 1 7 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.217 0.710 19544 1616 1 7 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.325 -1.171 19544 1617 1 7 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.612 -0.778 19544 1618 1 7 . 1 1 3 3 ILE H H 3 10.459 10.459 8.370 2.089 19544 1619 1 7 . 1 1 4 4 LEU N N 4 123.187 123.187 125.456 -2.269 19544 1620 1 7 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.741 0.119 19544 1621 1 7 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.863 -1.409 19544 1622 1 7 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.080 1.519 19544 1623 1 7 . 1 1 4 4 LEU H H 4 8.600 8.600 8.206 0.394 19544 1624 1 7 . 1 1 5 5 THR N N 5 116.018 116.018 113.974 2.044 19544 1625 1 7 . 1 1 5 5 THR HA H 5 5.507 5.507 4.618 0.889 19544 1626 1 7 . 1 1 5 5 THR CA C 5 60.401 60.401 61.303 -0.902 19544 1627 1 7 . 1 1 5 5 THR CB C 5 69.984 69.984 69.920 0.064 19544 1628 1 7 . 1 1 5 5 THR H H 5 9.416 9.416 8.200 1.216 19544 1629 1 7 . 1 1 6 6 ARG N N 6 123.849 123.849 122.170 1.679 19544 1630 1 7 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.801 0.212 19544 1631 1 7 . 1 1 6 6 ARG CA C 6 55.534 55.534 54.850 0.684 19544 1632 1 7 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.770 6.013 19544 1633 1 7 . 1 1 6 6 ARG H H 6 9.336 9.336 8.440 0.896 19544 1634 1 7 . 1 1 7 7 LYS N N 7 123.068 123.068 123.198 -0.130 19544 1635 1 7 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.419 0.680 19544 1636 1 7 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.583 -1.513 19544 1637 1 7 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.045 0.299 19544 1638 1 7 . 1 1 7 7 LYS H H 7 9.381 9.381 9.227 0.154 19544 1639 1 7 . 1 1 8 8 VAL N N 8 118.072 118.072 119.944 -1.872 19544 1640 1 7 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.728 -0.424 19544 1641 1 7 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.524 2.304 19544 1642 1 7 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.618 0.954 19544 1643 1 7 . 1 1 8 8 VAL H H 8 7.682 7.682 8.219 -0.537 19544 1644 1 7 . 1 1 9 9 GLY N N 9 115.704 115.704 116.028 -0.324 19544 1645 1 7 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.842 -0.307 19544 1646 1 7 . 1 1 9 9 GLY H H 9 9.252 9.252 9.223 0.029 19544 1647 1 7 . 1 1 10 10 GLU N N 10 119.256 119.256 120.649 -1.393 19544 1648 1 7 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.589 0.298 19544 1649 1 7 . 1 1 10 10 GLU CA C 10 55.758 55.758 55.622 0.136 19544 1650 1 7 . 1 1 10 10 GLU CB C 10 32.851 32.851 31.059 1.792 19544 1651 1 7 . 1 1 10 10 GLU H H 10 8.332 8.332 8.070 0.262 19544 1652 1 7 . 1 1 11 11 SER N N 11 112.505 112.505 112.381 0.124 19544 1653 1 7 . 1 1 11 11 SER HA H 11 5.879 5.879 5.189 0.690 19544 1654 1 7 . 1 1 11 11 SER CA C 11 57.963 57.963 57.460 0.503 19544 1655 1 7 . 1 1 11 11 SER CB C 11 66.878 66.878 66.373 0.505 19544 1656 1 7 . 1 1 11 11 SER H H 11 8.661 8.661 8.369 0.292 19544 1657 1 7 . 1 1 12 12 ILE N N 12 124.635 124.635 120.591 4.044 19544 1658 1 7 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.551 -0.181 19544 1659 1 7 . 1 1 12 12 ILE CA C 12 59.939 59.939 59.763 0.176 19544 1660 1 7 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.620 0.102 19544 1661 1 7 . 1 1 12 12 ILE H H 12 9.320 9.320 8.847 0.473 19544 1662 1 7 . 1 1 13 13 ASN N N 13 126.113 126.113 119.946 6.167 19544 1663 1 7 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.060 -0.071 19544 1664 1 7 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.667 0.760 19544 1665 1 7 . 1 1 13 13 ASN CB C 13 41.434 41.434 42.151 -0.717 19544 1666 1 7 . 1 1 13 13 ASN H H 13 9.349 9.349 8.465 0.884 19544 1667 1 7 . 1 1 14 14 ILE N N 14 123.849 123.849 121.128 2.721 19544 1668 1 7 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.461 -0.002 19544 1669 1 7 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.623 -0.057 19544 1670 1 7 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.702 -3.174 19544 1671 1 7 . 1 1 14 14 ILE H H 14 8.417 8.417 8.411 0.006 19544 1672 1 7 . 1 1 15 15 GLY N N 15 115.401 115.401 112.974 2.427 19544 1673 1 7 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.019 -0.083 19544 1674 1 7 . 1 1 15 15 GLY H H 15 9.100 9.100 8.616 0.484 19544 1675 1 7 . 1 1 16 16 ASP N N 16 120.669 120.669 122.631 -1.962 19544 1676 1 7 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.733 0.203 19544 1677 1 7 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.270 0.929 19544 1678 1 7 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.489 0.897 19544 1679 1 7 . 1 1 16 16 ASP H H 16 8.754 8.754 8.368 0.386 19544 1680 1 7 . 1 1 17 17 ASP N N 17 115.502 115.502 119.788 -4.286 19544 1681 1 7 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.842 -0.105 19544 1682 1 7 . 1 1 17 17 ASP CA C 17 54.077 54.077 54.063 0.014 19544 1683 1 7 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.821 -1.317 19544 1684 1 7 . 1 1 17 17 ASP H H 17 8.143 8.143 7.991 0.152 19544 1685 1 7 . 1 1 18 18 ILE N N 18 118.662 118.662 120.067 -1.405 19544 1686 1 7 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.023 0.198 19544 1687 1 7 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.325 -0.320 19544 1688 1 7 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.064 -2.414 19544 1689 1 7 . 1 1 18 18 ILE H H 18 7.177 7.177 7.669 -0.492 19544 1690 1 7 . 1 1 19 19 THR N N 19 122.983 122.983 121.042 1.941 19544 1691 1 7 . 1 1 19 19 THR HA H 19 5.119 5.119 5.016 0.103 19544 1692 1 7 . 1 1 19 19 THR CA C 19 60.918 60.918 61.355 -0.437 19544 1693 1 7 . 1 1 19 19 THR CB C 19 71.715 71.715 72.140 -0.425 19544 1694 1 7 . 1 1 19 19 THR H H 19 8.953 8.953 8.679 0.274 19544 1695 1 7 . 1 1 20 20 ILE N N 20 123.406 123.406 121.712 1.694 19544 1696 1 7 . 1 1 20 20 ILE HA H 20 4.925 4.925 4.958 -0.033 19544 1697 1 7 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.163 -0.309 19544 1698 1 7 . 1 1 20 20 ILE CB C 20 40.376 40.376 42.160 -1.784 19544 1699 1 7 . 1 1 20 20 ILE H H 20 8.934 8.934 9.062 -0.128 19544 1700 1 7 . 1 1 21 21 THR N N 21 123.706 123.706 120.758 2.948 19544 1701 1 7 . 1 1 21 21 THR HA H 21 4.843 4.843 4.867 -0.024 19544 1702 1 7 . 1 1 21 21 THR CA C 21 61.530 61.530 61.629 -0.099 19544 1703 1 7 . 1 1 21 21 THR CB C 21 71.954 71.954 71.597 0.357 19544 1704 1 7 . 1 1 21 21 THR H H 21 9.413 9.413 8.881 0.532 19544 1705 1 7 . 1 1 22 22 ILE N N 22 125.648 125.648 129.106 -3.458 19544 1706 1 7 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.191 -0.081 19544 1707 1 7 . 1 1 22 22 ILE CA C 22 59.087 59.087 59.655 -0.568 19544 1708 1 7 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.596 -3.670 19544 1709 1 7 . 1 1 22 22 ILE H H 22 8.081 8.081 8.368 -0.287 19544 1710 1 7 . 1 1 23 23 LEU N N 23 129.374 129.374 128.957 0.417 19544 1711 1 7 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.262 0.267 19544 1712 1 7 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.112 -0.538 19544 1713 1 7 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.976 0.709 19544 1714 1 7 . 1 1 23 23 LEU H H 23 8.819 8.819 8.303 0.516 19544 1715 1 7 . 1 1 24 24 GLY N N 24 104.611 104.611 104.710 -0.099 19544 1716 1 7 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.670 1.235 19544 1717 1 7 . 1 1 24 24 GLY H H 24 7.537 7.537 7.558 -0.021 19544 1718 1 7 . 1 1 25 25 VAL N N 25 120.900 120.900 115.349 5.551 19544 1719 1 7 . 1 1 25 25 VAL HA H 25 4.654 4.654 5.099 -0.445 19544 1720 1 7 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.959 2.518 19544 1721 1 7 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.669 0.072 19544 1722 1 7 . 1 1 25 25 VAL H H 25 8.454 8.454 8.359 0.095 19544 1723 1 7 . 1 1 26 26 SER N N 26 121.619 121.619 118.159 3.460 19544 1724 1 7 . 1 1 26 26 SER HA H 26 4.676 4.676 4.633 0.043 19544 1725 1 7 . 1 1 26 26 SER CA C 26 56.360 56.360 57.870 -1.510 19544 1726 1 7 . 1 1 26 26 SER CB C 26 63.802 63.802 64.590 -0.788 19544 1727 1 7 . 1 1 26 26 SER H H 26 8.571 8.571 8.706 -0.135 19544 1728 1 7 . 1 1 27 27 GLY N N 27 118.284 118.284 116.025 2.259 19544 1729 1 7 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.905 0.510 19544 1730 1 7 . 1 1 27 27 GLY H H 27 9.023 9.023 8.688 0.335 19544 1731 1 7 . 1 1 28 28 GLN N N 28 124.398 124.398 122.960 1.438 19544 1732 1 7 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.512 -0.222 19544 1733 1 7 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.389 -0.176 19544 1734 1 7 . 1 1 28 28 GLN CB C 28 29.553 29.553 30.429 -0.876 19544 1735 1 7 . 1 1 28 28 GLN H H 28 8.776 8.776 8.524 0.252 19544 1736 1 7 . 1 1 29 29 GLN N N 29 117.501 117.501 120.819 -3.318 19544 1737 1 7 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.307 0.323 19544 1738 1 7 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.227 -0.933 19544 1739 1 7 . 1 1 29 29 GLN CB C 29 31.682 31.682 29.936 1.746 19544 1740 1 7 . 1 1 29 29 GLN H H 29 8.289 8.289 7.976 0.313 19544 1741 1 7 . 1 1 30 30 VAL N N 30 124.451 124.451 120.970 3.481 19544 1742 1 7 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.518 0.060 19544 1743 1 7 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.574 -1.110 19544 1744 1 7 . 1 1 30 30 VAL CB C 30 34.413 34.413 33.871 0.542 19544 1745 1 7 . 1 1 30 30 VAL H H 30 9.174 9.174 8.333 0.841 19544 1746 1 7 . 1 1 31 31 ARG N N 31 128.251 128.251 127.860 0.391 19544 1747 1 7 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.498 0.139 19544 1748 1 7 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.869 -0.368 19544 1749 1 7 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.829 0.997 19544 1750 1 7 . 1 1 31 31 ARG H H 31 8.765 8.765 8.368 0.397 19544 1751 1 7 . 1 1 32 32 ILE N N 32 127.573 127.573 125.031 2.542 19544 1752 1 7 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.590 0.070 19544 1753 1 7 . 1 1 32 32 ILE CA C 32 59.568 59.568 60.033 -0.466 19544 1754 1 7 . 1 1 32 32 ILE CB C 32 41.055 41.055 39.706 1.349 19544 1755 1 7 . 1 1 32 32 ILE H H 32 8.949 8.949 8.413 0.536 19544 1756 1 7 . 1 1 33 33 GLY N N 33 112.581 112.581 115.648 -3.067 19544 1757 1 7 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.555 1.039 19544 1758 1 7 . 1 1 33 33 GLY H H 33 9.127 9.127 9.031 0.096 19544 1759 1 7 . 1 1 34 34 ILE N N 34 124.726 124.726 121.159 3.567 19544 1760 1 7 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.651 0.179 19544 1761 1 7 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.184 0.766 19544 1762 1 7 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.175 -0.871 19544 1763 1 7 . 1 1 34 34 ILE H H 34 9.599 9.599 8.267 1.332 19544 1764 1 7 . 1 1 35 35 ASN N N 35 129.529 129.529 124.223 5.306 19544 1765 1 7 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.975 0.120 19544 1766 1 7 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.422 -0.422 19544 1767 1 7 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.364 -0.216 19544 1768 1 7 . 1 1 35 35 ASN H H 35 9.035 9.035 8.840 0.195 19544 1769 1 7 . 1 1 36 36 ALA N N 36 125.575 125.575 127.451 -1.876 19544 1770 1 7 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.224 -0.164 19544 1771 1 7 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.360 -0.044 19544 1772 1 7 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.060 -1.162 19544 1773 1 7 . 1 1 36 36 ALA H H 36 8.231 8.231 8.123 0.108 19544 1774 1 7 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.527 -0.115 19544 1775 1 7 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.133 0.767 19544 1776 1 7 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.874 -0.549 19544 1777 1 7 . 1 1 38 38 LYS N N 38 121.064 121.064 121.731 -0.667 19544 1778 1 7 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.041 -0.248 19544 1779 1 7 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.748 1.050 19544 1780 1 7 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.690 0.153 19544 1781 1 7 . 1 1 38 38 LYS H H 38 8.555 8.555 8.465 0.090 19544 1782 1 7 . 1 1 39 39 ASP N N 39 113.867 113.867 118.516 -4.649 19544 1783 1 7 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.499 -0.145 19544 1784 1 7 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.762 -0.807 19544 1785 1 7 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.121 -1.409 19544 1786 1 7 . 1 1 39 39 ASP H H 39 8.159 8.159 8.207 -0.048 19544 1787 1 7 . 1 1 40 40 VAL N N 40 122.635 122.635 114.422 8.213 19544 1788 1 7 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.461 -0.491 19544 1789 1 7 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.785 2.021 19544 1790 1 7 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.475 -3.503 19544 1791 1 7 . 1 1 40 40 VAL H H 40 8.050 8.050 7.464 0.586 19544 1792 1 7 . 1 1 41 41 ALA N N 41 133.705 133.705 125.637 8.068 19544 1793 1 7 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.831 -0.376 19544 1794 1 7 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.266 0.878 19544 1795 1 7 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.827 -0.906 19544 1796 1 7 . 1 1 41 41 ALA H H 41 8.917 8.917 8.290 0.627 19544 1797 1 7 . 1 1 42 42 VAL N N 42 125.251 125.251 120.217 5.034 19544 1798 1 7 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.229 0.170 19544 1799 1 7 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.667 -1.080 19544 1800 1 7 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.283 0.288 19544 1801 1 7 . 1 1 42 42 VAL H H 42 7.870 7.870 7.846 0.024 19544 1802 1 7 . 1 1 43 43 HIS N N 43 118.702 118.702 124.237 -5.535 19544 1803 1 7 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.960 0.589 19544 1804 1 7 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.356 -1.613 19544 1805 1 7 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.810 5.974 19544 1806 1 7 . 1 1 43 43 HIS H H 43 8.605 8.605 8.253 0.352 19544 1807 1 7 . 1 1 44 44 ARG N N 44 121.777 121.777 121.346 0.431 19544 1808 1 7 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.399 -0.440 19544 1809 1 7 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.809 2.376 19544 1810 1 7 . 1 1 44 44 ARG H H 44 8.395 8.395 8.694 -0.299 19544 1811 1 7 . 1 1 45 45 GLU N N 45 125.983 125.983 122.359 3.624 19544 1812 1 7 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.168 0.241 19544 1813 1 7 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.635 0.252 19544 1814 1 7 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.811 0.133 19544 1815 1 7 . 1 1 45 45 GLU H H 45 7.926 7.926 8.996 -1.070 19544 1816 1 7 . 1 1 46 46 GLU N N 46 118.177 118.177 116.638 1.539 19544 1817 1 7 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.264 -0.013 19544 1818 1 7 . 1 1 46 46 GLU CA C 46 58.573 58.573 57.753 0.820 19544 1819 1 7 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.277 -2.427 19544 1820 1 7 . 1 1 46 46 GLU H H 46 10.750 10.750 8.680 2.070 19544 1821 1 7 . 1 1 47 47 ILE N N 47 122.609 122.609 119.041 3.568 19544 1822 1 7 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.172 -0.432 19544 1823 1 7 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.950 -0.402 19544 1824 1 7 . 1 1 47 47 ILE CB C 47 34.717 34.717 39.213 -4.496 19544 1825 1 7 . 1 1 47 47 ILE H H 47 7.166 7.166 7.763 -0.597 19544 1826 1 7 . 1 1 48 48 TYR N N 48 122.090 122.090 121.902 0.188 19544 1827 1 7 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.930 -0.318 19544 1828 1 7 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.006 1.304 19544 1829 1 7 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.133 0.914 19544 1830 1 7 . 1 1 48 48 TYR H H 48 8.113 8.113 8.846 -0.733 19544 1831 1 7 . 1 1 49 49 GLN N N 49 114.980 114.980 116.511 -1.531 19544 1832 1 7 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.668 0.176 19544 1833 1 7 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.779 0.786 19544 1834 1 7 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.468 -0.365 19544 1835 1 7 . 1 1 49 49 GLN H H 49 8.573 8.573 7.973 0.600 19544 1836 1 7 . 1 1 50 50 ARG N N 50 120.374 120.374 119.956 0.418 19544 1837 1 7 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.173 -0.209 19544 1838 1 7 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.392 0.761 19544 1839 1 7 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.660 -0.251 19544 1840 1 7 . 1 1 50 50 ARG H H 50 7.176 7.176 7.570 -0.394 19544 1841 1 7 . 1 1 51 51 ILE N N 51 120.770 120.770 119.114 1.656 19544 1842 1 7 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.794 -0.226 19544 1843 1 7 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.781 0.893 19544 1844 1 7 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.742 0.337 19544 1845 1 7 . 1 1 51 51 ILE H H 51 7.993 7.993 7.557 0.436 19544 1846 1 7 . 1 1 52 52 GLN N N 52 118.553 118.553 116.501 2.052 19544 1847 1 7 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.281 -0.494 19544 1848 1 7 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.582 1.871 19544 1849 1 7 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.745 -0.706 19544 1850 1 7 . 1 1 52 52 GLN H H 52 7.927 7.927 7.500 0.427 19544 1851 1 7 . 1 1 53 53 ALA N N 53 120.448 120.448 120.138 0.310 19544 1852 1 7 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.619 -0.460 19544 1853 1 7 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.031 1.145 19544 1854 1 7 . 1 1 53 53 ALA CB C 53 18.419 18.419 20.892 -2.473 19544 1855 1 7 . 1 1 53 53 ALA H H 53 7.600 7.600 7.751 -0.151 19544 1856 1 7 . 1 1 54 54 GLY N N 54 105.491 105.491 106.664 -1.173 19544 1857 1 7 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.334 0.183 19544 1858 1 7 . 1 1 54 54 GLY H H 54 7.671 7.671 7.729 -0.058 19544 1859 1 7 . 1 1 55 55 LEU N N 55 120.780 120.780 120.027 0.753 19544 1860 1 7 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.840 -0.528 19544 1861 1 7 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.052 0.788 19544 1862 1 7 . 1 1 55 55 LEU CB C 55 42.133 42.133 44.320 -2.187 19544 1863 1 7 . 1 1 55 55 LEU H H 55 7.640 7.640 8.390 -0.750 19544 1864 1 7 . 1 1 56 56 THR N N 56 113.308 113.308 112.172 1.136 19544 1865 1 7 . 1 1 56 56 THR HA H 56 4.271 4.271 4.440 -0.169 19544 1866 1 7 . 1 1 56 56 THR CA C 56 61.302 61.302 62.433 -1.131 19544 1867 1 7 . 1 1 56 56 THR CB C 56 69.901 69.901 69.691 0.210 19544 1868 1 7 . 1 1 56 56 THR H H 56 7.788 7.788 8.178 -0.390 19544 1869 1 7 . 1 1 57 57 ALA N N 57 127.382 127.382 123.496 3.886 19544 1870 1 7 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.587 -0.079 19544 1871 1 7 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.365 -0.846 19544 1872 1 7 . 1 1 57 57 ALA CB C 57 18.234 18.234 18.715 -0.481 19544 1873 1 7 . 1 1 57 57 ALA H H 57 8.072 8.072 7.706 0.366 19544 1874 1 7 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.433 -0.118 19544 1875 1 7 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.762 0.587 19544 1876 1 7 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.273 -0.381 19544 1877 1 8 . 1 1 2 2 LEU N N 2 124.411 124.411 127.942 -3.531 19544 1878 1 8 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.813 -0.379 19544 1879 1 8 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.098 -0.822 19544 1880 1 8 . 1 1 2 2 LEU CB C 2 42.199 42.199 43.108 -0.909 19544 1881 1 8 . 1 1 2 2 LEU H H 2 8.389 8.389 8.553 -0.164 19544 1882 1 8 . 1 1 3 3 ILE N N 3 130.539 130.539 123.944 6.595 19544 1883 1 8 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.198 0.729 19544 1884 1 8 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.393 -1.239 19544 1885 1 8 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.561 -0.727 19544 1886 1 8 . 1 1 3 3 ILE H H 3 10.459 10.459 8.357 2.102 19544 1887 1 8 . 1 1 4 4 LEU N N 4 123.187 123.187 126.873 -3.686 19544 1888 1 8 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.639 0.221 19544 1889 1 8 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.710 -1.256 19544 1890 1 8 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.023 1.576 19544 1891 1 8 . 1 1 4 4 LEU H H 4 8.600 8.600 8.116 0.484 19544 1892 1 8 . 1 1 5 5 THR N N 5 116.018 116.018 114.799 1.219 19544 1893 1 8 . 1 1 5 5 THR HA H 5 5.507 5.507 4.575 0.932 19544 1894 1 8 . 1 1 5 5 THR CA C 5 60.401 60.401 61.641 -1.240 19544 1895 1 8 . 1 1 5 5 THR CB C 5 69.984 69.984 69.695 0.289 19544 1896 1 8 . 1 1 5 5 THR H H 5 9.416 9.416 8.113 1.303 19544 1897 1 8 . 1 1 6 6 ARG N N 6 123.849 123.849 122.707 1.142 19544 1898 1 8 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.426 0.587 19544 1899 1 8 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.472 0.062 19544 1900 1 8 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.746 6.037 19544 1901 1 8 . 1 1 6 6 ARG H H 6 9.336 9.336 8.356 0.980 19544 1902 1 8 . 1 1 7 7 LYS N N 7 123.068 123.068 124.702 -1.634 19544 1903 1 8 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.558 0.541 19544 1904 1 8 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.003 -0.933 19544 1905 1 8 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.496 -0.152 19544 1906 1 8 . 1 1 7 7 LYS H H 7 9.381 9.381 8.633 0.748 19544 1907 1 8 . 1 1 8 8 VAL N N 8 118.072 118.072 120.217 -2.145 19544 1908 1 8 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.978 -0.674 19544 1909 1 8 . 1 1 8 8 VAL CA C 8 65.828 65.828 62.983 2.845 19544 1910 1 8 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.514 0.058 19544 1911 1 8 . 1 1 8 8 VAL H H 8 7.682 7.682 8.365 -0.683 19544 1912 1 8 . 1 1 9 9 GLY N N 9 115.704 115.704 114.330 1.374 19544 1913 1 8 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.800 -0.265 19544 1914 1 8 . 1 1 9 9 GLY H H 9 9.252 9.252 9.141 0.111 19544 1915 1 8 . 1 1 10 10 GLU N N 10 119.256 119.256 119.781 -0.525 19544 1916 1 8 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.789 0.098 19544 1917 1 8 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.356 1.401 19544 1918 1 8 . 1 1 10 10 GLU CB C 10 32.851 32.851 32.747 0.104 19544 1919 1 8 . 1 1 10 10 GLU H H 10 8.332 8.332 7.840 0.492 19544 1920 1 8 . 1 1 11 11 SER N N 11 112.505 112.505 113.258 -0.753 19544 1921 1 8 . 1 1 11 11 SER HA H 11 5.879 5.879 5.312 0.567 19544 1922 1 8 . 1 1 11 11 SER CA C 11 57.963 57.963 56.965 0.998 19544 1923 1 8 . 1 1 11 11 SER CB C 11 66.878 66.878 66.135 0.743 19544 1924 1 8 . 1 1 11 11 SER H H 11 8.661 8.661 8.332 0.329 19544 1925 1 8 . 1 1 12 12 ILE N N 12 124.635 124.635 119.463 5.172 19544 1926 1 8 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.475 -0.105 19544 1927 1 8 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.141 -0.202 19544 1928 1 8 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.991 -0.269 19544 1929 1 8 . 1 1 12 12 ILE H H 12 9.320 9.320 8.794 0.526 19544 1930 1 8 . 1 1 13 13 ASN N N 13 126.113 126.113 120.193 5.920 19544 1931 1 8 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.062 -0.073 19544 1932 1 8 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.592 0.835 19544 1933 1 8 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.837 -0.403 19544 1934 1 8 . 1 1 13 13 ASN H H 13 9.349 9.349 8.457 0.892 19544 1935 1 8 . 1 1 14 14 ILE N N 14 123.849 123.849 121.192 2.657 19544 1936 1 8 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.459 0.000 19544 1937 1 8 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.621 -0.055 19544 1938 1 8 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.618 -3.090 19544 1939 1 8 . 1 1 14 14 ILE H H 14 8.417 8.417 8.410 0.007 19544 1940 1 8 . 1 1 15 15 GLY N N 15 115.401 115.401 113.241 2.160 19544 1941 1 8 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.136 -0.200 19544 1942 1 8 . 1 1 15 15 GLY H H 15 9.100 9.100 8.579 0.521 19544 1943 1 8 . 1 1 16 16 ASP N N 16 120.669 120.669 120.835 -0.166 19544 1944 1 8 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.689 0.247 19544 1945 1 8 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.095 1.104 19544 1946 1 8 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.410 0.976 19544 1947 1 8 . 1 1 16 16 ASP H H 16 8.754 8.754 8.332 0.422 19544 1948 1 8 . 1 1 17 17 ASP N N 17 115.502 115.502 119.891 -4.389 19544 1949 1 8 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.860 -0.123 19544 1950 1 8 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.968 0.110 19544 1951 1 8 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.999 -1.495 19544 1952 1 8 . 1 1 17 17 ASP H H 17 8.143 8.143 7.858 0.285 19544 1953 1 8 . 1 1 18 18 ILE N N 18 118.662 118.662 119.983 -1.321 19544 1954 1 8 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.034 0.187 19544 1955 1 8 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.286 -0.281 19544 1956 1 8 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.099 -2.449 19544 1957 1 8 . 1 1 18 18 ILE H H 18 7.177 7.177 7.665 -0.488 19544 1958 1 8 . 1 1 19 19 THR N N 19 122.983 122.983 120.913 2.070 19544 1959 1 8 . 1 1 19 19 THR HA H 19 5.119 5.119 4.977 0.142 19544 1960 1 8 . 1 1 19 19 THR CA C 19 60.918 60.918 61.385 -0.466 19544 1961 1 8 . 1 1 19 19 THR CB C 19 71.715 71.715 72.116 -0.401 19544 1962 1 8 . 1 1 19 19 THR H H 19 8.953 8.953 8.676 0.277 19544 1963 1 8 . 1 1 20 20 ILE N N 20 123.406 123.406 121.960 1.446 19544 1964 1 8 . 1 1 20 20 ILE HA H 20 4.925 4.925 5.074 -0.149 19544 1965 1 8 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.005 -0.151 19544 1966 1 8 . 1 1 20 20 ILE CB C 20 40.376 40.376 41.795 -1.419 19544 1967 1 8 . 1 1 20 20 ILE H H 20 8.934 8.934 9.108 -0.174 19544 1968 1 8 . 1 1 21 21 THR N N 21 123.706 123.706 119.734 3.972 19544 1969 1 8 . 1 1 21 21 THR HA H 21 4.843 4.843 4.944 -0.101 19544 1970 1 8 . 1 1 21 21 THR CA C 21 61.530 61.530 61.774 -0.244 19544 1971 1 8 . 1 1 21 21 THR CB C 21 71.954 71.954 72.265 -0.311 19544 1972 1 8 . 1 1 21 21 THR H H 21 9.413 9.413 8.994 0.419 19544 1973 1 8 . 1 1 22 22 ILE N N 22 125.648 125.648 126.450 -0.802 19544 1974 1 8 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.584 -0.474 19544 1975 1 8 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.335 0.752 19544 1976 1 8 . 1 1 22 22 ILE CB C 22 33.926 33.926 38.182 -4.256 19544 1977 1 8 . 1 1 22 22 ILE H H 22 8.081 8.081 8.330 -0.249 19544 1978 1 8 . 1 1 23 23 LEU N N 23 129.374 129.374 128.742 0.632 19544 1979 1 8 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.268 0.261 19544 1980 1 8 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.503 -0.929 19544 1981 1 8 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.975 0.710 19544 1982 1 8 . 1 1 23 23 LEU H H 23 8.819 8.819 8.288 0.531 19544 1983 1 8 . 1 1 24 24 GLY N N 24 104.611 104.611 104.384 0.227 19544 1984 1 8 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.846 1.059 19544 1985 1 8 . 1 1 24 24 GLY H H 24 7.537 7.537 7.562 -0.025 19544 1986 1 8 . 1 1 25 25 VAL N N 25 120.900 120.900 115.796 5.104 19544 1987 1 8 . 1 1 25 25 VAL HA H 25 4.654 4.654 5.169 -0.515 19544 1988 1 8 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.837 2.639 19544 1989 1 8 . 1 1 25 25 VAL CB C 25 35.740 35.740 36.092 -0.352 19544 1990 1 8 . 1 1 25 25 VAL H H 25 8.454 8.454 8.327 0.127 19544 1991 1 8 . 1 1 26 26 SER N N 26 121.619 121.619 119.033 2.586 19544 1992 1 8 . 1 1 26 26 SER HA H 26 4.676 4.676 4.674 0.002 19544 1993 1 8 . 1 1 26 26 SER CA C 26 56.360 56.360 57.901 -1.541 19544 1994 1 8 . 1 1 26 26 SER CB C 26 63.802 63.802 64.558 -0.756 19544 1995 1 8 . 1 1 26 26 SER H H 26 8.571 8.571 8.576 -0.005 19544 1996 1 8 . 1 1 27 27 GLY N N 27 118.284 118.284 116.049 2.235 19544 1997 1 8 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.832 0.583 19544 1998 1 8 . 1 1 27 27 GLY H H 27 9.023 9.023 8.688 0.335 19544 1999 1 8 . 1 1 28 28 GLN N N 28 124.398 124.398 123.254 1.144 19544 2000 1 8 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.512 -0.222 19544 2001 1 8 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.367 -0.155 19544 2002 1 8 . 1 1 28 28 GLN CB C 28 29.553 29.553 30.131 -0.578 19544 2003 1 8 . 1 1 28 28 GLN H H 28 8.776 8.776 8.569 0.207 19544 2004 1 8 . 1 1 29 29 GLN N N 29 117.501 117.501 120.533 -3.032 19544 2005 1 8 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.313 0.317 19544 2006 1 8 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.097 -0.803 19544 2007 1 8 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.030 1.652 19544 2008 1 8 . 1 1 29 29 GLN H H 29 8.289 8.289 8.026 0.263 19544 2009 1 8 . 1 1 30 30 VAL N N 30 124.451 124.451 121.162 3.289 19544 2010 1 8 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.594 -0.016 19544 2011 1 8 . 1 1 30 30 VAL CA C 30 60.464 60.464 60.935 -0.471 19544 2012 1 8 . 1 1 30 30 VAL CB C 30 34.413 34.413 34.215 0.198 19544 2013 1 8 . 1 1 30 30 VAL H H 30 9.174 9.174 8.317 0.857 19544 2014 1 8 . 1 1 31 31 ARG N N 31 128.251 128.251 128.058 0.193 19544 2015 1 8 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.489 0.148 19544 2016 1 8 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.757 -0.256 19544 2017 1 8 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.956 0.870 19544 2018 1 8 . 1 1 31 31 ARG H H 31 8.765 8.765 8.457 0.308 19544 2019 1 8 . 1 1 32 32 ILE N N 32 127.573 127.573 124.271 3.302 19544 2020 1 8 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.720 -0.060 19544 2021 1 8 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.715 -0.147 19544 2022 1 8 . 1 1 32 32 ILE CB C 32 41.055 41.055 40.961 0.094 19544 2023 1 8 . 1 1 32 32 ILE H H 32 8.949 8.949 8.391 0.558 19544 2024 1 8 . 1 1 33 33 GLY N N 33 112.581 112.581 113.692 -1.111 19544 2025 1 8 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.350 1.244 19544 2026 1 8 . 1 1 33 33 GLY H H 33 9.127 9.127 8.810 0.317 19544 2027 1 8 . 1 1 34 34 ILE N N 34 124.726 124.726 120.712 4.014 19544 2028 1 8 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.722 0.108 19544 2029 1 8 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.194 0.756 19544 2030 1 8 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.425 -1.121 19544 2031 1 8 . 1 1 34 34 ILE H H 34 9.599 9.599 8.350 1.249 19544 2032 1 8 . 1 1 35 35 ASN N N 35 129.529 129.529 124.037 5.492 19544 2033 1 8 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.977 0.118 19544 2034 1 8 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.437 -0.437 19544 2035 1 8 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.420 -0.272 19544 2036 1 8 . 1 1 35 35 ASN H H 35 9.035 9.035 8.865 0.170 19544 2037 1 8 . 1 1 36 36 ALA N N 36 125.575 125.575 127.479 -1.904 19544 2038 1 8 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.214 -0.154 19544 2039 1 8 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.368 -0.052 19544 2040 1 8 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.045 -1.147 19544 2041 1 8 . 1 1 36 36 ALA H H 36 8.231 8.231 8.125 0.106 19544 2042 1 8 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.515 -0.103 19544 2043 1 8 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.161 0.739 19544 2044 1 8 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.855 -0.530 19544 2045 1 8 . 1 1 38 38 LYS N N 38 121.064 121.064 121.831 -0.767 19544 2046 1 8 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.043 -0.250 19544 2047 1 8 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.762 1.036 19544 2048 1 8 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.747 0.096 19544 2049 1 8 . 1 1 38 38 LYS H H 38 8.555 8.555 8.465 0.090 19544 2050 1 8 . 1 1 39 39 ASP N N 39 113.867 113.867 118.849 -4.982 19544 2051 1 8 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.505 -0.151 19544 2052 1 8 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.620 -0.664 19544 2053 1 8 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.146 -1.434 19544 2054 1 8 . 1 1 39 39 ASP H H 39 8.159 8.159 8.217 -0.058 19544 2055 1 8 . 1 1 40 40 VAL N N 40 122.635 122.635 113.519 9.116 19544 2056 1 8 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.499 -0.529 19544 2057 1 8 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.947 1.859 19544 2058 1 8 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.621 -3.649 19544 2059 1 8 . 1 1 40 40 VAL H H 40 8.050 8.050 7.471 0.579 19544 2060 1 8 . 1 1 41 41 ALA N N 41 133.705 133.705 125.887 7.818 19544 2061 1 8 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.814 -0.359 19544 2062 1 8 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.208 0.936 19544 2063 1 8 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.855 -0.934 19544 2064 1 8 . 1 1 41 41 ALA H H 41 8.917 8.917 8.312 0.605 19544 2065 1 8 . 1 1 42 42 VAL N N 42 125.251 125.251 120.431 4.820 19544 2066 1 8 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.217 0.182 19544 2067 1 8 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.442 -0.855 19544 2068 1 8 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.215 0.357 19544 2069 1 8 . 1 1 42 42 VAL H H 42 7.870 7.870 7.827 0.043 19544 2070 1 8 . 1 1 43 43 HIS N N 43 118.702 118.702 123.721 -5.019 19544 2071 1 8 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.789 0.760 19544 2072 1 8 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.181 -1.438 19544 2073 1 8 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.656 6.128 19544 2074 1 8 . 1 1 43 43 HIS H H 43 8.605 8.605 8.253 0.352 19544 2075 1 8 . 1 1 44 44 ARG N N 44 121.777 121.777 122.499 -0.722 19544 2076 1 8 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.332 -0.373 19544 2077 1 8 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.721 2.464 19544 2078 1 8 . 1 1 44 44 ARG H H 44 8.395 8.395 8.669 -0.274 19544 2079 1 8 . 1 1 45 45 GLU N N 45 125.983 125.983 124.251 1.732 19544 2080 1 8 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.135 0.274 19544 2081 1 8 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.789 0.098 19544 2082 1 8 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.744 0.200 19544 2083 1 8 . 1 1 45 45 GLU H H 45 7.926 7.926 9.007 -1.081 19544 2084 1 8 . 1 1 46 46 GLU N N 46 118.177 118.177 116.900 1.277 19544 2085 1 8 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.236 0.015 19544 2086 1 8 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.113 0.460 19544 2087 1 8 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.317 -2.467 19544 2088 1 8 . 1 1 46 46 GLU H H 46 10.750 10.750 8.640 2.110 19544 2089 1 8 . 1 1 47 47 ILE N N 47 122.609 122.609 119.522 3.087 19544 2090 1 8 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.112 -0.372 19544 2091 1 8 . 1 1 47 47 ILE CA C 47 60.549 60.549 61.023 -0.474 19544 2092 1 8 . 1 1 47 47 ILE CB C 47 34.717 34.717 38.493 -3.776 19544 2093 1 8 . 1 1 47 47 ILE H H 47 7.166 7.166 7.819 -0.653 19544 2094 1 8 . 1 1 48 48 TYR N N 48 122.090 122.090 121.698 0.392 19544 2095 1 8 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.911 -0.299 19544 2096 1 8 . 1 1 48 48 TYR CA C 48 62.310 62.310 60.978 1.332 19544 2097 1 8 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.098 0.949 19544 2098 1 8 . 1 1 48 48 TYR H H 48 8.113 8.113 8.798 -0.685 19544 2099 1 8 . 1 1 49 49 GLN N N 49 114.980 114.980 116.560 -1.580 19544 2100 1 8 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.673 0.171 19544 2101 1 8 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.777 0.788 19544 2102 1 8 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.456 -0.353 19544 2103 1 8 . 1 1 49 49 GLN H H 49 8.573 8.573 7.889 0.684 19544 2104 1 8 . 1 1 50 50 ARG N N 50 120.374 120.374 120.031 0.343 19544 2105 1 8 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.149 -0.185 19544 2106 1 8 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.491 0.662 19544 2107 1 8 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.623 -0.214 19544 2108 1 8 . 1 1 50 50 ARG H H 50 7.176 7.176 7.537 -0.361 19544 2109 1 8 . 1 1 51 51 ILE N N 51 120.770 120.770 118.831 1.939 19544 2110 1 8 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.794 -0.226 19544 2111 1 8 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.801 0.873 19544 2112 1 8 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.752 0.327 19544 2113 1 8 . 1 1 51 51 ILE H H 51 7.993 7.993 7.602 0.391 19544 2114 1 8 . 1 1 52 52 GLN N N 52 118.553 118.553 116.551 2.002 19544 2115 1 8 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.278 -0.491 19544 2116 1 8 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.507 1.946 19544 2117 1 8 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.838 -0.798 19544 2118 1 8 . 1 1 52 52 GLN H H 52 7.927 7.927 7.437 0.490 19544 2119 1 8 . 1 1 53 53 ALA N N 53 120.448 120.448 120.171 0.277 19544 2120 1 8 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.631 -0.472 19544 2121 1 8 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.078 1.098 19544 2122 1 8 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.061 -2.642 19544 2123 1 8 . 1 1 53 53 ALA H H 53 7.600 7.600 7.794 -0.194 19544 2124 1 8 . 1 1 54 54 GLY N N 54 105.491 105.491 106.738 -1.247 19544 2125 1 8 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.545 -0.028 19544 2126 1 8 . 1 1 54 54 GLY H H 54 7.671 7.671 7.842 -0.171 19544 2127 1 8 . 1 1 55 55 LEU N N 55 120.780 120.780 120.609 0.171 19544 2128 1 8 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.872 -0.560 19544 2129 1 8 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.101 0.739 19544 2130 1 8 . 1 1 55 55 LEU CB C 55 42.133 42.133 44.321 -2.188 19544 2131 1 8 . 1 1 55 55 LEU H H 55 7.640 7.640 8.360 -0.720 19544 2132 1 8 . 1 1 56 56 THR N N 56 113.308 113.308 113.518 -0.210 19544 2133 1 8 . 1 1 56 56 THR HA H 56 4.271 4.271 4.430 -0.159 19544 2134 1 8 . 1 1 56 56 THR CA C 56 61.302 61.302 62.576 -1.274 19544 2135 1 8 . 1 1 56 56 THR CB C 56 69.901 69.901 70.026 -0.125 19544 2136 1 8 . 1 1 56 56 THR H H 56 7.788 7.788 8.304 -0.516 19544 2137 1 8 . 1 1 57 57 ALA N N 57 127.382 127.382 124.465 2.917 19544 2138 1 8 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.621 -0.113 19544 2139 1 8 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.258 -0.739 19544 2140 1 8 . 1 1 57 57 ALA CB C 57 18.234 18.234 19.215 -0.981 19544 2141 1 8 . 1 1 57 57 ALA H H 57 8.072 8.072 7.760 0.312 19544 2142 1 8 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.228 0.087 19544 2143 1 8 . 1 1 58 58 PRO CA C 58 63.349 63.349 63.965 -0.617 19544 2144 1 8 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.146 -0.254 19544 2145 1 9 . 1 1 2 2 LEU N N 2 124.411 124.411 127.977 -3.566 19544 2146 1 9 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.819 -0.385 19544 2147 1 9 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.054 -0.778 19544 2148 1 9 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.971 -0.772 19544 2149 1 9 . 1 1 2 2 LEU H H 2 8.389 8.389 8.547 -0.158 19544 2150 1 9 . 1 1 3 3 ILE N N 3 130.539 130.539 124.126 6.413 19544 2151 1 9 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.200 0.727 19544 2152 1 9 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.342 -1.188 19544 2153 1 9 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.608 -0.774 19544 2154 1 9 . 1 1 3 3 ILE H H 3 10.459 10.459 8.360 2.099 19544 2155 1 9 . 1 1 4 4 LEU N N 4 123.187 123.187 125.482 -2.295 19544 2156 1 9 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.723 0.137 19544 2157 1 9 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.900 -1.446 19544 2158 1 9 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.056 1.543 19544 2159 1 9 . 1 1 4 4 LEU H H 4 8.600 8.600 8.191 0.409 19544 2160 1 9 . 1 1 5 5 THR N N 5 116.018 116.018 114.352 1.666 19544 2161 1 9 . 1 1 5 5 THR HA H 5 5.507 5.507 4.742 0.765 19544 2162 1 9 . 1 1 5 5 THR CA C 5 60.401 60.401 61.311 -0.910 19544 2163 1 9 . 1 1 5 5 THR CB C 5 69.984 69.984 69.872 0.112 19544 2164 1 9 . 1 1 5 5 THR H H 5 9.416 9.416 8.240 1.176 19544 2165 1 9 . 1 1 6 6 ARG N N 6 123.849 123.849 122.621 1.228 19544 2166 1 9 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.605 0.408 19544 2167 1 9 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.639 -0.105 19544 2168 1 9 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.607 6.176 19544 2169 1 9 . 1 1 6 6 ARG H H 6 9.336 9.336 8.493 0.843 19544 2170 1 9 . 1 1 7 7 LYS N N 7 123.068 123.068 122.423 0.645 19544 2171 1 9 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.616 0.483 19544 2172 1 9 . 1 1 7 7 LYS CA C 7 54.070 54.070 54.946 -0.876 19544 2173 1 9 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.070 0.274 19544 2174 1 9 . 1 1 7 7 LYS H H 7 9.381 9.381 8.262 1.119 19544 2175 1 9 . 1 1 8 8 VAL N N 8 118.072 118.072 120.259 -2.187 19544 2176 1 9 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.956 -0.652 19544 2177 1 9 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.064 2.764 19544 2178 1 9 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.312 0.260 19544 2179 1 9 . 1 1 8 8 VAL H H 8 7.682 7.682 8.289 -0.607 19544 2180 1 9 . 1 1 9 9 GLY N N 9 115.704 115.704 114.915 0.789 19544 2181 1 9 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.889 -0.353 19544 2182 1 9 . 1 1 9 9 GLY H H 9 9.252 9.252 8.970 0.282 19544 2183 1 9 . 1 1 10 10 GLU N N 10 119.256 119.256 120.784 -1.528 19544 2184 1 9 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.860 0.027 19544 2185 1 9 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.082 1.676 19544 2186 1 9 . 1 1 10 10 GLU CB C 10 32.851 32.851 31.797 1.054 19544 2187 1 9 . 1 1 10 10 GLU H H 10 8.332 8.332 7.944 0.388 19544 2188 1 9 . 1 1 11 11 SER N N 11 112.505 112.505 114.637 -2.132 19544 2189 1 9 . 1 1 11 11 SER HA H 11 5.879 5.879 5.270 0.609 19544 2190 1 9 . 1 1 11 11 SER CA C 11 57.963 57.963 57.079 0.884 19544 2191 1 9 . 1 1 11 11 SER CB C 11 66.878 66.878 66.320 0.558 19544 2192 1 9 . 1 1 11 11 SER H H 11 8.661 8.661 8.505 0.156 19544 2193 1 9 . 1 1 12 12 ILE N N 12 124.635 124.635 120.719 3.916 19544 2194 1 9 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.519 -0.149 19544 2195 1 9 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.063 -0.124 19544 2196 1 9 . 1 1 12 12 ILE CB C 12 42.722 42.722 43.149 -0.427 19544 2197 1 9 . 1 1 12 12 ILE H H 12 9.320 9.320 8.703 0.617 19544 2198 1 9 . 1 1 13 13 ASN N N 13 126.113 126.113 120.348 5.765 19544 2199 1 9 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.305 -0.316 19544 2200 1 9 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.458 0.969 19544 2201 1 9 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.751 -0.317 19544 2202 1 9 . 1 1 13 13 ASN H H 13 9.349 9.349 8.462 0.887 19544 2203 1 9 . 1 1 14 14 ILE N N 14 123.849 123.849 121.167 2.682 19544 2204 1 9 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.450 0.009 19544 2205 1 9 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.636 -0.070 19544 2206 1 9 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.605 -3.078 19544 2207 1 9 . 1 1 14 14 ILE H H 14 8.417 8.417 8.447 -0.030 19544 2208 1 9 . 1 1 15 15 GLY N N 15 115.401 115.401 112.912 2.489 19544 2209 1 9 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.420 -0.484 19544 2210 1 9 . 1 1 15 15 GLY H H 15 9.100 9.100 8.586 0.514 19544 2211 1 9 . 1 1 16 16 ASP N N 16 120.669 120.669 121.722 -1.053 19544 2212 1 9 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.731 0.205 19544 2213 1 9 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.333 0.866 19544 2214 1 9 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.418 0.968 19544 2215 1 9 . 1 1 16 16 ASP H H 16 8.754 8.754 8.267 0.487 19544 2216 1 9 . 1 1 17 17 ASP N N 17 115.502 115.502 118.995 -3.493 19544 2217 1 9 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.776 -0.039 19544 2218 1 9 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.948 0.129 19544 2219 1 9 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.729 -1.225 19544 2220 1 9 . 1 1 17 17 ASP H H 17 8.143 8.143 7.895 0.248 19544 2221 1 9 . 1 1 18 18 ILE N N 18 118.662 118.662 120.045 -1.383 19544 2222 1 9 . 1 1 18 18 ILE HA H 18 5.221 5.221 4.925 0.296 19544 2223 1 9 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.362 -0.357 19544 2224 1 9 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.020 -2.370 19544 2225 1 9 . 1 1 18 18 ILE H H 18 7.177 7.177 7.682 -0.505 19544 2226 1 9 . 1 1 19 19 THR N N 19 122.983 122.983 121.074 1.909 19544 2227 1 9 . 1 1 19 19 THR HA H 19 5.119 5.119 5.121 -0.002 19544 2228 1 9 . 1 1 19 19 THR CA C 19 60.918 60.918 61.249 -0.331 19544 2229 1 9 . 1 1 19 19 THR CB C 19 71.715 71.715 72.159 -0.444 19544 2230 1 9 . 1 1 19 19 THR H H 19 8.953 8.953 8.680 0.273 19544 2231 1 9 . 1 1 20 20 ILE N N 20 123.406 123.406 121.811 1.595 19544 2232 1 9 . 1 1 20 20 ILE HA H 20 4.925 4.925 5.074 -0.149 19544 2233 1 9 . 1 1 20 20 ILE CA C 20 58.854 58.854 58.930 -0.076 19544 2234 1 9 . 1 1 20 20 ILE CB C 20 40.376 40.376 41.809 -1.433 19544 2235 1 9 . 1 1 20 20 ILE H H 20 8.934 8.934 9.069 -0.135 19544 2236 1 9 . 1 1 21 21 THR N N 21 123.706 123.706 119.409 4.297 19544 2237 1 9 . 1 1 21 21 THR HA H 21 4.843 4.843 5.123 -0.280 19544 2238 1 9 . 1 1 21 21 THR CA C 21 61.530 61.530 61.294 0.236 19544 2239 1 9 . 1 1 21 21 THR CB C 21 71.954 71.954 72.567 -0.613 19544 2240 1 9 . 1 1 21 21 THR H H 21 9.413 9.413 8.942 0.471 19544 2241 1 9 . 1 1 22 22 ILE N N 22 125.648 125.648 126.434 -0.786 19544 2242 1 9 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.543 -0.433 19544 2243 1 9 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.443 0.644 19544 2244 1 9 . 1 1 22 22 ILE CB C 22 33.926 33.926 38.020 -4.094 19544 2245 1 9 . 1 1 22 22 ILE H H 22 8.081 8.081 8.307 -0.226 19544 2246 1 9 . 1 1 23 23 LEU N N 23 129.374 129.374 128.380 0.994 19544 2247 1 9 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.269 0.260 19544 2248 1 9 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.310 -0.736 19544 2249 1 9 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.910 0.775 19544 2250 1 9 . 1 1 23 23 LEU H H 23 8.819 8.819 8.475 0.344 19544 2251 1 9 . 1 1 24 24 GLY N N 24 104.611 104.611 103.452 1.159 19544 2252 1 9 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.847 1.058 19544 2253 1 9 . 1 1 24 24 GLY H H 24 7.537 7.537 7.674 -0.137 19544 2254 1 9 . 1 1 25 25 VAL N N 25 120.900 120.900 116.539 4.361 19544 2255 1 9 . 1 1 25 25 VAL HA H 25 4.654 4.654 4.881 -0.227 19544 2256 1 9 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.774 2.703 19544 2257 1 9 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.455 0.285 19544 2258 1 9 . 1 1 25 25 VAL H H 25 8.454 8.454 8.272 0.182 19544 2259 1 9 . 1 1 26 26 SER N N 26 121.619 121.619 117.986 3.633 19544 2260 1 9 . 1 1 26 26 SER HA H 26 4.676 4.676 4.607 0.069 19544 2261 1 9 . 1 1 26 26 SER CA C 26 56.360 56.360 58.129 -1.769 19544 2262 1 9 . 1 1 26 26 SER CB C 26 63.802 63.802 64.559 -0.757 19544 2263 1 9 . 1 1 26 26 SER H H 26 8.571 8.571 8.425 0.146 19544 2264 1 9 . 1 1 27 27 GLY N N 27 118.284 118.284 116.519 1.765 19544 2265 1 9 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.642 0.773 19544 2266 1 9 . 1 1 27 27 GLY H H 27 9.023 9.023 8.697 0.326 19544 2267 1 9 . 1 1 28 28 GLN N N 28 124.398 124.398 123.967 0.431 19544 2268 1 9 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.488 -0.198 19544 2269 1 9 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.554 -0.342 19544 2270 1 9 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.624 -0.071 19544 2271 1 9 . 1 1 28 28 GLN H H 28 8.776 8.776 8.586 0.190 19544 2272 1 9 . 1 1 29 29 GLN N N 29 117.501 117.501 119.966 -2.465 19544 2273 1 9 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.343 0.287 19544 2274 1 9 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.724 -0.430 19544 2275 1 9 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.251 1.431 19544 2276 1 9 . 1 1 29 29 GLN H H 29 8.289 8.289 7.853 0.436 19544 2277 1 9 . 1 1 30 30 VAL N N 30 124.451 124.451 120.785 3.666 19544 2278 1 9 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.468 0.110 19544 2279 1 9 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.126 -0.662 19544 2280 1 9 . 1 1 30 30 VAL CB C 30 34.413 34.413 34.109 0.304 19544 2281 1 9 . 1 1 30 30 VAL H H 30 9.174 9.174 8.367 0.807 19544 2282 1 9 . 1 1 31 31 ARG N N 31 128.251 128.251 128.124 0.127 19544 2283 1 9 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.385 0.252 19544 2284 1 9 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.915 -0.414 19544 2285 1 9 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.100 1.726 19544 2286 1 9 . 1 1 31 31 ARG H H 31 8.765 8.765 8.398 0.367 19544 2287 1 9 . 1 1 32 32 ILE N N 32 127.573 127.573 124.575 2.998 19544 2288 1 9 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.666 -0.006 19544 2289 1 9 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.887 -0.319 19544 2290 1 9 . 1 1 32 32 ILE CB C 32 41.055 41.055 40.047 1.008 19544 2291 1 9 . 1 1 32 32 ILE H H 32 8.949 8.949 7.980 0.969 19544 2292 1 9 . 1 1 33 33 GLY N N 33 112.581 112.581 113.352 -0.771 19544 2293 1 9 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.538 1.056 19544 2294 1 9 . 1 1 33 33 GLY H H 33 9.127 9.127 8.778 0.349 19544 2295 1 9 . 1 1 34 34 ILE N N 34 124.726 124.726 120.946 3.780 19544 2296 1 9 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.703 0.127 19544 2297 1 9 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.187 0.763 19544 2298 1 9 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.311 -1.007 19544 2299 1 9 . 1 1 34 34 ILE H H 34 9.599 9.599 8.375 1.224 19544 2300 1 9 . 1 1 35 35 ASN N N 35 129.529 129.529 124.146 5.383 19544 2301 1 9 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.969 0.126 19544 2302 1 9 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.492 -0.492 19544 2303 1 9 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.298 -0.150 19544 2304 1 9 . 1 1 35 35 ASN H H 35 9.035 9.035 8.859 0.176 19544 2305 1 9 . 1 1 36 36 ALA N N 36 125.575 125.575 127.393 -1.818 19544 2306 1 9 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.175 -0.115 19544 2307 1 9 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.338 -0.022 19544 2308 1 9 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.079 -1.181 19544 2309 1 9 . 1 1 36 36 ALA H H 36 8.231 8.231 8.113 0.118 19544 2310 1 9 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.528 -0.116 19544 2311 1 9 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.110 0.790 19544 2312 1 9 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.926 -0.601 19544 2313 1 9 . 1 1 38 38 LYS N N 38 121.064 121.064 121.550 -0.486 19544 2314 1 9 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.094 -0.301 19544 2315 1 9 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.623 1.175 19544 2316 1 9 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.662 0.181 19544 2317 1 9 . 1 1 38 38 LYS H H 38 8.555 8.555 8.562 -0.007 19544 2318 1 9 . 1 1 39 39 ASP N N 39 113.867 113.867 117.756 -3.889 19544 2319 1 9 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.497 -0.143 19544 2320 1 9 . 1 1 39 39 ASP CA C 39 53.955 53.955 55.508 -1.553 19544 2321 1 9 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.269 -1.556 19544 2322 1 9 . 1 1 39 39 ASP H H 39 8.159 8.159 8.420 -0.261 19544 2323 1 9 . 1 1 40 40 VAL N N 40 122.635 122.635 114.575 8.060 19544 2324 1 9 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.429 -0.459 19544 2325 1 9 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.792 2.014 19544 2326 1 9 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.170 -3.198 19544 2327 1 9 . 1 1 40 40 VAL H H 40 8.050 8.050 7.518 0.532 19544 2328 1 9 . 1 1 41 41 ALA N N 41 133.705 133.705 125.652 8.053 19544 2329 1 9 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.821 -0.366 19544 2330 1 9 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.215 0.929 19544 2331 1 9 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.837 -0.916 19544 2332 1 9 . 1 1 41 41 ALA H H 41 8.917 8.917 8.283 0.634 19544 2333 1 9 . 1 1 42 42 VAL N N 42 125.251 125.251 120.270 4.981 19544 2334 1 9 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.226 0.173 19544 2335 1 9 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.614 -1.027 19544 2336 1 9 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.304 0.268 19544 2337 1 9 . 1 1 42 42 VAL H H 42 7.870 7.870 7.837 0.033 19544 2338 1 9 . 1 1 43 43 HIS N N 43 118.702 118.702 124.063 -5.361 19544 2339 1 9 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.962 0.587 19544 2340 1 9 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.374 -1.631 19544 2341 1 9 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.804 5.980 19544 2342 1 9 . 1 1 43 43 HIS H H 43 8.605 8.605 8.255 0.350 19544 2343 1 9 . 1 1 44 44 ARG N N 44 121.777 121.777 121.214 0.563 19544 2344 1 9 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.399 -0.440 19544 2345 1 9 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.798 2.387 19544 2346 1 9 . 1 1 44 44 ARG H H 44 8.395 8.395 8.694 -0.299 19544 2347 1 9 . 1 1 45 45 GLU N N 45 125.983 125.983 121.928 4.055 19544 2348 1 9 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.152 0.257 19544 2349 1 9 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.768 0.119 19544 2350 1 9 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.805 0.139 19544 2351 1 9 . 1 1 45 45 GLU H H 45 7.926 7.926 8.938 -1.012 19544 2352 1 9 . 1 1 46 46 GLU N N 46 118.177 118.177 119.742 -1.565 19544 2353 1 9 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.196 0.055 19544 2354 1 9 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.925 -0.352 19544 2355 1 9 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.031 -2.181 19544 2356 1 9 . 1 1 46 46 GLU H H 46 10.750 10.750 8.572 2.178 19544 2357 1 9 . 1 1 47 47 ILE N N 47 122.609 122.609 119.168 3.441 19544 2358 1 9 . 1 1 47 47 ILE HA H 47 3.740 3.740 3.873 -0.133 19544 2359 1 9 . 1 1 47 47 ILE CA C 47 60.549 60.549 62.278 -1.729 19544 2360 1 9 . 1 1 47 47 ILE CB C 47 34.717 34.717 36.934 -2.217 19544 2361 1 9 . 1 1 47 47 ILE H H 47 7.166 7.166 7.803 -0.637 19544 2362 1 9 . 1 1 48 48 TYR N N 48 122.090 122.090 121.343 0.747 19544 2363 1 9 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.921 -0.309 19544 2364 1 9 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.172 1.138 19544 2365 1 9 . 1 1 48 48 TYR CB C 48 39.047 39.047 37.926 1.121 19544 2366 1 9 . 1 1 48 48 TYR H H 48 8.113 8.113 8.588 -0.475 19544 2367 1 9 . 1 1 49 49 GLN N N 49 114.980 114.980 116.338 -1.358 19544 2368 1 9 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.688 0.156 19544 2369 1 9 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.739 0.826 19544 2370 1 9 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.192 -0.089 19544 2371 1 9 . 1 1 49 49 GLN H H 49 8.573 8.573 8.271 0.302 19544 2372 1 9 . 1 1 50 50 ARG N N 50 120.374 120.374 120.172 0.202 19544 2373 1 9 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.067 -0.103 19544 2374 1 9 . 1 1 50 50 ARG CA C 50 59.153 59.153 59.044 0.109 19544 2375 1 9 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.695 -0.286 19544 2376 1 9 . 1 1 50 50 ARG H H 50 7.176 7.176 7.613 -0.437 19544 2377 1 9 . 1 1 51 51 ILE N N 51 120.770 120.770 118.977 1.793 19544 2378 1 9 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.769 -0.201 19544 2379 1 9 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.978 0.696 19544 2380 1 9 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.587 0.492 19544 2381 1 9 . 1 1 51 51 ILE H H 51 7.993 7.993 7.649 0.344 19544 2382 1 9 . 1 1 52 52 GLN N N 52 118.553 118.553 116.535 2.018 19544 2383 1 9 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.283 -0.496 19544 2384 1 9 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.722 1.731 19544 2385 1 9 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.663 -0.623 19544 2386 1 9 . 1 1 52 52 GLN H H 52 7.927 7.927 7.502 0.425 19544 2387 1 9 . 1 1 53 53 ALA N N 53 120.448 120.448 120.825 -0.377 19544 2388 1 9 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.623 -0.464 19544 2389 1 9 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.057 1.119 19544 2390 1 9 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.156 -2.737 19544 2391 1 9 . 1 1 53 53 ALA H H 53 7.600 7.600 7.648 -0.048 19544 2392 1 9 . 1 1 54 54 GLY N N 54 105.491 105.491 106.901 -1.410 19544 2393 1 9 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.160 0.357 19544 2394 1 9 . 1 1 54 54 GLY H H 54 7.671 7.671 8.210 -0.539 19544 2395 1 9 . 1 1 55 55 LEU N N 55 120.780 120.780 117.279 3.501 19544 2396 1 9 . 1 1 55 55 LEU HA H 55 4.312 4.312 5.052 -0.740 19544 2397 1 9 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.408 0.432 19544 2398 1 9 . 1 1 55 55 LEU CB C 55 42.133 42.133 44.126 -1.993 19544 2399 1 9 . 1 1 55 55 LEU H H 55 7.640 7.640 8.275 -0.635 19544 2400 1 9 . 1 1 56 56 THR N N 56 113.308 113.308 109.859 3.449 19544 2401 1 9 . 1 1 56 56 THR HA H 56 4.271 4.271 4.678 -0.407 19544 2402 1 9 . 1 1 56 56 THR CA C 56 61.302 61.302 61.651 -0.349 19544 2403 1 9 . 1 1 56 56 THR CB C 56 69.901 69.901 69.906 -0.005 19544 2404 1 9 . 1 1 56 56 THR H H 56 7.788 7.788 8.619 -0.831 19544 2405 1 9 . 1 1 57 57 ALA N N 57 127.382 127.382 123.418 3.964 19544 2406 1 9 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.596 -0.088 19544 2407 1 9 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.124 -0.605 19544 2408 1 9 . 1 1 57 57 ALA CB C 57 18.234 18.234 18.720 -0.486 19544 2409 1 9 . 1 1 57 57 ALA H H 57 8.072 8.072 7.739 0.333 19544 2410 1 9 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.410 -0.095 19544 2411 1 9 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.774 0.575 19544 2412 1 9 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.263 -0.371 19544 2413 1 10 . 1 1 2 2 LEU N N 2 124.411 124.411 127.769 -3.358 19544 2414 1 10 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.810 -0.376 19544 2415 1 10 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.114 -0.838 19544 2416 1 10 . 1 1 2 2 LEU CB C 2 42.199 42.199 43.158 -0.959 19544 2417 1 10 . 1 1 2 2 LEU H H 2 8.389 8.389 8.543 -0.154 19544 2418 1 10 . 1 1 3 3 ILE N N 3 130.539 130.539 123.894 6.645 19544 2419 1 10 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.208 0.719 19544 2420 1 10 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.379 -1.225 19544 2421 1 10 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.574 -0.740 19544 2422 1 10 . 1 1 3 3 ILE H H 3 10.459 10.459 8.353 2.106 19544 2423 1 10 . 1 1 4 4 LEU N N 4 123.187 123.187 126.799 -3.612 19544 2424 1 10 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.638 0.222 19544 2425 1 10 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.740 -1.286 19544 2426 1 10 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.063 1.536 19544 2427 1 10 . 1 1 4 4 LEU H H 4 8.600 8.600 8.111 0.489 19544 2428 1 10 . 1 1 5 5 THR N N 5 116.018 116.018 115.133 0.885 19544 2429 1 10 . 1 1 5 5 THR HA H 5 5.507 5.507 4.524 0.983 19544 2430 1 10 . 1 1 5 5 THR CA C 5 60.401 60.401 61.510 -1.109 19544 2431 1 10 . 1 1 5 5 THR CB C 5 69.984 69.984 69.699 0.285 19544 2432 1 10 . 1 1 5 5 THR H H 5 9.416 9.416 8.255 1.161 19544 2433 1 10 . 1 1 6 6 ARG N N 6 123.849 123.849 122.339 1.510 19544 2434 1 10 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.564 0.449 19544 2435 1 10 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.088 0.446 19544 2436 1 10 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.261 6.522 19544 2437 1 10 . 1 1 6 6 ARG H H 6 9.336 9.336 8.437 0.899 19544 2438 1 10 . 1 1 7 7 LYS N N 7 123.068 123.068 123.557 -0.489 19544 2439 1 10 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.446 0.653 19544 2440 1 10 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.621 -1.551 19544 2441 1 10 . 1 1 7 7 LYS CB C 7 34.344 34.344 33.220 1.124 19544 2442 1 10 . 1 1 7 7 LYS H H 7 9.381 9.381 8.395 0.986 19544 2443 1 10 . 1 1 8 8 VAL N N 8 118.072 118.072 119.391 -1.319 19544 2444 1 10 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.751 -0.447 19544 2445 1 10 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.166 2.662 19544 2446 1 10 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.700 -0.127 19544 2447 1 10 . 1 1 8 8 VAL H H 8 7.682 7.682 8.171 -0.489 19544 2448 1 10 . 1 1 9 9 GLY N N 9 115.704 115.704 113.956 1.748 19544 2449 1 10 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.967 -0.432 19544 2450 1 10 . 1 1 9 9 GLY H H 9 9.252 9.252 9.294 -0.042 19544 2451 1 10 . 1 1 10 10 GLU N N 10 119.256 119.256 120.918 -1.662 19544 2452 1 10 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.643 0.244 19544 2453 1 10 . 1 1 10 10 GLU CA C 10 55.758 55.758 55.039 0.718 19544 2454 1 10 . 1 1 10 10 GLU CB C 10 32.851 32.851 30.819 2.032 19544 2455 1 10 . 1 1 10 10 GLU H H 10 8.332 8.332 7.950 0.382 19544 2456 1 10 . 1 1 11 11 SER N N 11 112.505 112.505 112.402 0.103 19544 2457 1 10 . 1 1 11 11 SER HA H 11 5.879 5.879 5.085 0.794 19544 2458 1 10 . 1 1 11 11 SER CA C 11 57.963 57.963 57.555 0.408 19544 2459 1 10 . 1 1 11 11 SER CB C 11 66.878 66.878 66.516 0.362 19544 2460 1 10 . 1 1 11 11 SER H H 11 8.661 8.661 8.375 0.286 19544 2461 1 10 . 1 1 12 12 ILE N N 12 124.635 124.635 120.686 3.949 19544 2462 1 10 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.544 -0.174 19544 2463 1 10 . 1 1 12 12 ILE CA C 12 59.939 59.939 59.800 0.139 19544 2464 1 10 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.638 0.084 19544 2465 1 10 . 1 1 12 12 ILE H H 12 9.320 9.320 8.835 0.485 19544 2466 1 10 . 1 1 13 13 ASN N N 13 126.113 126.113 119.963 6.150 19544 2467 1 10 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.050 -0.061 19544 2468 1 10 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.683 0.744 19544 2469 1 10 . 1 1 13 13 ASN CB C 13 41.434 41.434 42.181 -0.747 19544 2470 1 10 . 1 1 13 13 ASN H H 13 9.349 9.349 8.462 0.887 19544 2471 1 10 . 1 1 14 14 ILE N N 14 123.849 123.849 121.078 2.771 19544 2472 1 10 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.464 -0.005 19544 2473 1 10 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.614 -0.048 19544 2474 1 10 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.659 -3.131 19544 2475 1 10 . 1 1 14 14 ILE H H 14 8.417 8.417 8.401 0.016 19544 2476 1 10 . 1 1 15 15 GLY N N 15 115.401 115.401 112.635 2.766 19544 2477 1 10 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.424 -0.488 19544 2478 1 10 . 1 1 15 15 GLY H H 15 9.100 9.100 8.584 0.516 19544 2479 1 10 . 1 1 16 16 ASP N N 16 120.669 120.669 121.679 -1.010 19544 2480 1 10 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.733 0.203 19544 2481 1 10 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.349 0.850 19544 2482 1 10 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.395 0.991 19544 2483 1 10 . 1 1 16 16 ASP H H 16 8.754 8.754 8.272 0.482 19544 2484 1 10 . 1 1 17 17 ASP N N 17 115.502 115.502 118.995 -3.493 19544 2485 1 10 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.777 -0.040 19544 2486 1 10 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.933 0.144 19544 2487 1 10 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.707 -1.203 19544 2488 1 10 . 1 1 17 17 ASP H H 17 8.143 8.143 7.882 0.261 19544 2489 1 10 . 1 1 18 18 ILE N N 18 118.662 118.662 120.001 -1.339 19544 2490 1 10 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.013 0.208 19544 2491 1 10 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.357 -0.352 19544 2492 1 10 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.103 -2.453 19544 2493 1 10 . 1 1 18 18 ILE H H 18 7.177 7.177 7.660 -0.483 19544 2494 1 10 . 1 1 19 19 THR N N 19 122.983 122.983 121.088 1.895 19544 2495 1 10 . 1 1 19 19 THR HA H 19 5.119 5.119 4.983 0.136 19544 2496 1 10 . 1 1 19 19 THR CA C 19 60.918 60.918 61.394 -0.476 19544 2497 1 10 . 1 1 19 19 THR CB C 19 71.715 71.715 72.129 -0.414 19544 2498 1 10 . 1 1 19 19 THR H H 19 8.953 8.953 8.667 0.286 19544 2499 1 10 . 1 1 20 20 ILE N N 20 123.406 123.406 121.771 1.635 19544 2500 1 10 . 1 1 20 20 ILE HA H 20 4.925 4.925 4.982 -0.057 19544 2501 1 10 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.172 -0.318 19544 2502 1 10 . 1 1 20 20 ILE CB C 20 40.376 40.376 42.176 -1.800 19544 2503 1 10 . 1 1 20 20 ILE H H 20 8.934 8.934 9.114 -0.180 19544 2504 1 10 . 1 1 21 21 THR N N 21 123.706 123.706 120.570 3.136 19544 2505 1 10 . 1 1 21 21 THR HA H 21 4.843 4.843 4.859 -0.016 19544 2506 1 10 . 1 1 21 21 THR CA C 21 61.530 61.530 61.633 -0.103 19544 2507 1 10 . 1 1 21 21 THR CB C 21 71.954 71.954 71.676 0.278 19544 2508 1 10 . 1 1 21 21 THR H H 21 9.413 9.413 8.917 0.496 19544 2509 1 10 . 1 1 22 22 ILE N N 22 125.648 125.648 129.158 -3.510 19544 2510 1 10 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.249 -0.139 19544 2511 1 10 . 1 1 22 22 ILE CA C 22 59.087 59.087 59.351 -0.264 19544 2512 1 10 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.511 -3.584 19544 2513 1 10 . 1 1 22 22 ILE H H 22 8.081 8.081 8.366 -0.285 19544 2514 1 10 . 1 1 23 23 LEU N N 23 129.374 129.374 128.858 0.516 19544 2515 1 10 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.201 0.328 19544 2516 1 10 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.471 -0.897 19544 2517 1 10 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.912 0.773 19544 2518 1 10 . 1 1 23 23 LEU H H 23 8.819 8.819 8.253 0.566 19544 2519 1 10 . 1 1 24 24 GLY N N 24 104.611 104.611 103.735 0.876 19544 2520 1 10 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.676 1.229 19544 2521 1 10 . 1 1 24 24 GLY H H 24 7.537 7.537 7.546 -0.009 19544 2522 1 10 . 1 1 25 25 VAL N N 25 120.900 120.900 115.284 5.616 19544 2523 1 10 . 1 1 25 25 VAL HA H 25 4.654 4.654 5.096 -0.442 19544 2524 1 10 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.866 2.611 19544 2525 1 10 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.949 -0.209 19544 2526 1 10 . 1 1 25 25 VAL H H 25 8.454 8.454 8.337 0.117 19544 2527 1 10 . 1 1 26 26 SER N N 26 121.619 121.619 117.817 3.802 19544 2528 1 10 . 1 1 26 26 SER HA H 26 4.676 4.676 4.611 0.065 19544 2529 1 10 . 1 1 26 26 SER CA C 26 56.360 56.360 58.094 -1.734 19544 2530 1 10 . 1 1 26 26 SER CB C 26 63.802 63.802 64.593 -0.791 19544 2531 1 10 . 1 1 26 26 SER H H 26 8.571 8.571 8.661 -0.090 19544 2532 1 10 . 1 1 27 27 GLY N N 27 118.284 118.284 116.645 1.639 19544 2533 1 10 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.938 0.477 19544 2534 1 10 . 1 1 27 27 GLY H H 27 9.023 9.023 8.733 0.290 19544 2535 1 10 . 1 1 28 28 GLN N N 28 124.398 124.398 123.674 0.724 19544 2536 1 10 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.498 -0.208 19544 2537 1 10 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.284 -0.072 19544 2538 1 10 . 1 1 28 28 GLN CB C 28 29.553 29.553 30.158 -0.605 19544 2539 1 10 . 1 1 28 28 GLN H H 28 8.776 8.776 8.451 0.325 19544 2540 1 10 . 1 1 29 29 GLN N N 29 117.501 117.501 120.397 -2.896 19544 2541 1 10 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.416 0.214 19544 2542 1 10 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.189 -0.895 19544 2543 1 10 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.242 1.440 19544 2544 1 10 . 1 1 29 29 GLN H H 29 8.289 8.289 7.915 0.374 19544 2545 1 10 . 1 1 30 30 VAL N N 30 124.451 124.451 121.222 3.229 19544 2546 1 10 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.610 -0.032 19544 2547 1 10 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.484 -1.020 19544 2548 1 10 . 1 1 30 30 VAL CB C 30 34.413 34.413 33.746 0.667 19544 2549 1 10 . 1 1 30 30 VAL H H 30 9.174 9.174 8.402 0.772 19544 2550 1 10 . 1 1 31 31 ARG N N 31 128.251 128.251 127.884 0.367 19544 2551 1 10 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.531 0.106 19544 2552 1 10 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.617 -0.116 19544 2553 1 10 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.990 0.836 19544 2554 1 10 . 1 1 31 31 ARG H H 31 8.765 8.765 8.395 0.370 19544 2555 1 10 . 1 1 32 32 ILE N N 32 127.573 127.573 124.497 3.076 19544 2556 1 10 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.695 -0.035 19544 2557 1 10 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.910 -0.342 19544 2558 1 10 . 1 1 32 32 ILE CB C 32 41.055 41.055 40.237 0.818 19544 2559 1 10 . 1 1 32 32 ILE H H 32 8.949 8.949 8.469 0.480 19544 2560 1 10 . 1 1 33 33 GLY N N 33 112.581 112.581 115.026 -2.445 19544 2561 1 10 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.315 1.279 19544 2562 1 10 . 1 1 33 33 GLY H H 33 9.127 9.127 9.067 0.060 19544 2563 1 10 . 1 1 34 34 ILE N N 34 124.726 124.726 120.754 3.972 19544 2564 1 10 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.680 0.150 19544 2565 1 10 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.188 0.762 19544 2566 1 10 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.304 -1.000 19544 2567 1 10 . 1 1 34 34 ILE H H 34 9.599 9.599 8.305 1.294 19544 2568 1 10 . 1 1 35 35 ASN N N 35 129.529 129.529 124.106 5.423 19544 2569 1 10 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.978 0.117 19544 2570 1 10 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.414 -0.414 19544 2571 1 10 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.334 -0.186 19544 2572 1 10 . 1 1 35 35 ASN H H 35 9.035 9.035 8.854 0.181 19544 2573 1 10 . 1 1 36 36 ALA N N 36 125.575 125.575 127.882 -2.307 19544 2574 1 10 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.179 -0.119 19544 2575 1 10 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.411 -0.095 19544 2576 1 10 . 1 1 36 36 ALA CB C 36 19.898 19.898 20.991 -1.093 19544 2577 1 10 . 1 1 36 36 ALA H H 36 8.231 8.231 8.130 0.101 19544 2578 1 10 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.526 -0.114 19544 2579 1 10 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.138 0.762 19544 2580 1 10 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.680 -0.355 19544 2581 1 10 . 1 1 38 38 LYS N N 38 121.064 121.064 121.817 -0.753 19544 2582 1 10 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.057 -0.264 19544 2583 1 10 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.707 1.091 19544 2584 1 10 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.750 0.093 19544 2585 1 10 . 1 1 38 38 LYS H H 38 8.555 8.555 8.457 0.098 19544 2586 1 10 . 1 1 39 39 ASP N N 39 113.867 113.867 118.715 -4.848 19544 2587 1 10 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.499 -0.145 19544 2588 1 10 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.787 -0.832 19544 2589 1 10 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.119 -1.407 19544 2590 1 10 . 1 1 39 39 ASP H H 39 8.159 8.159 8.215 -0.056 19544 2591 1 10 . 1 1 40 40 VAL N N 40 122.635 122.635 114.391 8.244 19544 2592 1 10 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.467 -0.497 19544 2593 1 10 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.805 2.001 19544 2594 1 10 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.487 -3.515 19544 2595 1 10 . 1 1 40 40 VAL H H 40 8.050 8.050 7.455 0.595 19544 2596 1 10 . 1 1 41 41 ALA N N 41 133.705 133.705 125.615 8.090 19544 2597 1 10 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.842 -0.387 19544 2598 1 10 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.208 0.936 19544 2599 1 10 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.902 -0.981 19544 2600 1 10 . 1 1 41 41 ALA H H 41 8.917 8.917 8.296 0.621 19544 2601 1 10 . 1 1 42 42 VAL N N 42 125.251 125.251 120.204 5.047 19544 2602 1 10 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.230 0.169 19544 2603 1 10 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.665 -1.078 19544 2604 1 10 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.252 0.320 19544 2605 1 10 . 1 1 42 42 VAL H H 42 7.870 7.870 7.825 0.045 19544 2606 1 10 . 1 1 43 43 HIS N N 43 118.702 118.702 124.709 -6.007 19544 2607 1 10 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.893 0.656 19544 2608 1 10 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.347 -1.604 19544 2609 1 10 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.722 6.062 19544 2610 1 10 . 1 1 43 43 HIS H H 43 8.605 8.605 8.292 0.313 19544 2611 1 10 . 1 1 44 44 ARG N N 44 121.777 121.777 121.719 0.058 19544 2612 1 10 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.327 -0.368 19544 2613 1 10 . 1 1 44 44 ARG CA C 44 58.185 58.185 56.085 2.100 19544 2614 1 10 . 1 1 44 44 ARG H H 44 8.395 8.395 8.702 -0.307 19544 2615 1 10 . 1 1 45 45 GLU N N 45 125.983 125.983 122.605 3.378 19544 2616 1 10 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.172 0.237 19544 2617 1 10 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.693 0.194 19544 2618 1 10 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.823 0.121 19544 2619 1 10 . 1 1 45 45 GLU H H 45 7.926 7.926 9.004 -1.078 19544 2620 1 10 . 1 1 46 46 GLU N N 46 118.177 118.177 116.832 1.345 19544 2621 1 10 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.247 0.004 19544 2622 1 10 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.017 0.556 19544 2623 1 10 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.291 -2.441 19544 2624 1 10 . 1 1 46 46 GLU H H 46 10.750 10.750 8.690 2.060 19544 2625 1 10 . 1 1 47 47 ILE N N 47 122.609 122.609 119.354 3.255 19544 2626 1 10 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.137 -0.397 19544 2627 1 10 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.888 -0.339 19544 2628 1 10 . 1 1 47 47 ILE CB C 47 34.717 34.717 38.784 -4.067 19544 2629 1 10 . 1 1 47 47 ILE H H 47 7.166 7.166 7.600 -0.434 19544 2630 1 10 . 1 1 48 48 TYR N N 48 122.090 122.090 121.723 0.367 19544 2631 1 10 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.954 -0.342 19544 2632 1 10 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.097 1.213 19544 2633 1 10 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.130 0.917 19544 2634 1 10 . 1 1 48 48 TYR H H 48 8.113 8.113 8.839 -0.726 19544 2635 1 10 . 1 1 49 49 GLN N N 49 114.980 114.980 116.629 -1.649 19544 2636 1 10 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.714 0.130 19544 2637 1 10 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.796 0.769 19544 2638 1 10 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.484 -0.381 19544 2639 1 10 . 1 1 49 49 GLN H H 49 8.573 8.573 7.971 0.602 19544 2640 1 10 . 1 1 50 50 ARG N N 50 120.374 120.374 120.054 0.320 19544 2641 1 10 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.149 -0.185 19544 2642 1 10 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.637 0.516 19544 2643 1 10 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.696 -0.287 19544 2644 1 10 . 1 1 50 50 ARG H H 50 7.176 7.176 7.588 -0.412 19544 2645 1 10 . 1 1 51 51 ILE N N 51 120.770 120.770 119.121 1.649 19544 2646 1 10 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.761 -0.193 19544 2647 1 10 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.909 0.765 19544 2648 1 10 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.592 0.487 19544 2649 1 10 . 1 1 51 51 ILE H H 51 7.993 7.993 7.529 0.464 19544 2650 1 10 . 1 1 52 52 GLN N N 52 118.553 118.553 116.478 2.075 19544 2651 1 10 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.277 -0.490 19544 2652 1 10 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.678 1.776 19544 2653 1 10 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.656 -0.616 19544 2654 1 10 . 1 1 52 52 GLN H H 52 7.927 7.927 7.470 0.457 19544 2655 1 10 . 1 1 53 53 ALA N N 53 120.448 120.448 120.918 -0.470 19544 2656 1 10 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.611 -0.452 19544 2657 1 10 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.063 1.113 19544 2658 1 10 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.080 -2.661 19544 2659 1 10 . 1 1 53 53 ALA H H 53 7.600 7.600 7.618 -0.018 19544 2660 1 10 . 1 1 54 54 GLY N N 54 105.491 105.491 108.058 -2.567 19544 2661 1 10 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.553 -0.036 19544 2662 1 10 . 1 1 54 54 GLY H H 54 7.671 7.671 8.187 -0.516 19544 2663 1 10 . 1 1 55 55 LEU N N 55 120.780 120.780 118.028 2.752 19544 2664 1 10 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.763 -0.451 19544 2665 1 10 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.176 0.664 19544 2666 1 10 . 1 1 55 55 LEU CB C 55 42.133 42.133 43.188 -1.055 19544 2667 1 10 . 1 1 55 55 LEU H H 55 7.640 7.640 7.992 -0.352 19544 2668 1 10 . 1 1 56 56 THR N N 56 113.308 113.308 110.431 2.877 19544 2669 1 10 . 1 1 56 56 THR HA H 56 4.271 4.271 4.551 -0.280 19544 2670 1 10 . 1 1 56 56 THR CA C 56 61.302 61.302 62.012 -0.710 19544 2671 1 10 . 1 1 56 56 THR CB C 56 69.901 69.901 69.486 0.415 19544 2672 1 10 . 1 1 56 56 THR H H 56 7.788 7.788 8.005 -0.217 19544 2673 1 10 . 1 1 57 57 ALA N N 57 127.382 127.382 124.300 3.082 19544 2674 1 10 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.321 0.187 19544 2675 1 10 . 1 1 57 57 ALA CA C 57 50.519 50.519 52.751 -2.232 19544 2676 1 10 . 1 1 57 57 ALA CB C 57 18.234 18.234 17.282 0.952 19544 2677 1 10 . 1 1 57 57 ALA H H 57 8.072 8.072 8.052 0.020 19544 2678 1 10 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.427 -0.112 19544 2679 1 10 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.506 0.843 19544 2680 1 10 . 1 1 58 58 PRO CB C 58 31.892 31.892 31.898 -0.005 19544 2681 1 11 . 1 1 2 2 LEU N N 2 124.411 124.411 128.201 -3.790 19544 2682 1 11 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.821 -0.387 19544 2683 1 11 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.064 -0.788 19544 2684 1 11 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.988 -0.789 19544 2685 1 11 . 1 1 2 2 LEU H H 2 8.389 8.389 8.553 -0.164 19544 2686 1 11 . 1 1 3 3 ILE N N 3 130.539 130.539 124.185 6.354 19544 2687 1 11 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.216 0.711 19544 2688 1 11 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.313 -1.159 19544 2689 1 11 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.622 -0.788 19544 2690 1 11 . 1 1 3 3 ILE H H 3 10.459 10.459 8.368 2.091 19544 2691 1 11 . 1 1 4 4 LEU N N 4 123.187 123.187 125.447 -2.260 19544 2692 1 11 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.734 0.126 19544 2693 1 11 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.867 -1.413 19544 2694 1 11 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.084 1.515 19544 2695 1 11 . 1 1 4 4 LEU H H 4 8.600 8.600 8.199 0.401 19544 2696 1 11 . 1 1 5 5 THR N N 5 116.018 116.018 114.129 1.889 19544 2697 1 11 . 1 1 5 5 THR HA H 5 5.507 5.507 4.615 0.892 19544 2698 1 11 . 1 1 5 5 THR CA C 5 60.401 60.401 61.323 -0.922 19544 2699 1 11 . 1 1 5 5 THR CB C 5 69.984 69.984 69.818 0.166 19544 2700 1 11 . 1 1 5 5 THR H H 5 9.416 9.416 8.211 1.205 19544 2701 1 11 . 1 1 6 6 ARG N N 6 123.849 123.849 122.860 0.989 19544 2702 1 11 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.808 0.205 19544 2703 1 11 . 1 1 6 6 ARG CA C 6 55.534 55.534 54.831 0.703 19544 2704 1 11 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.752 6.031 19544 2705 1 11 . 1 1 6 6 ARG H H 6 9.336 9.336 8.451 0.885 19544 2706 1 11 . 1 1 7 7 LYS N N 7 123.068 123.068 122.793 0.275 19544 2707 1 11 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.434 0.665 19544 2708 1 11 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.662 -1.592 19544 2709 1 11 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.186 0.158 19544 2710 1 11 . 1 1 7 7 LYS H H 7 9.381 9.381 9.207 0.174 19544 2711 1 11 . 1 1 8 8 VAL N N 8 118.072 118.072 119.669 -1.597 19544 2712 1 11 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.904 -0.600 19544 2713 1 11 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.301 2.527 19544 2714 1 11 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.363 0.209 19544 2715 1 11 . 1 1 8 8 VAL H H 8 7.682 7.682 8.196 -0.514 19544 2716 1 11 . 1 1 9 9 GLY N N 9 115.704 115.704 114.766 0.938 19544 2717 1 11 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.844 -0.309 19544 2718 1 11 . 1 1 9 9 GLY H H 9 9.252 9.252 9.263 -0.011 19544 2719 1 11 . 1 1 10 10 GLU N N 10 119.256 119.256 120.511 -1.255 19544 2720 1 11 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.625 0.262 19544 2721 1 11 . 1 1 10 10 GLU CA C 10 55.758 55.758 55.471 0.287 19544 2722 1 11 . 1 1 10 10 GLU CB C 10 32.851 32.851 31.178 1.673 19544 2723 1 11 . 1 1 10 10 GLU H H 10 8.332 8.332 8.075 0.257 19544 2724 1 11 . 1 1 11 11 SER N N 11 112.505 112.505 112.376 0.129 19544 2725 1 11 . 1 1 11 11 SER HA H 11 5.879 5.879 5.153 0.726 19544 2726 1 11 . 1 1 11 11 SER CA C 11 57.963 57.963 57.488 0.475 19544 2727 1 11 . 1 1 11 11 SER CB C 11 66.878 66.878 66.383 0.494 19544 2728 1 11 . 1 1 11 11 SER H H 11 8.661 8.661 8.373 0.288 19544 2729 1 11 . 1 1 12 12 ILE N N 12 124.635 124.635 120.591 4.044 19544 2730 1 11 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.544 -0.174 19544 2731 1 11 . 1 1 12 12 ILE CA C 12 59.939 59.939 59.758 0.181 19544 2732 1 11 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.622 0.100 19544 2733 1 11 . 1 1 12 12 ILE H H 12 9.320 9.320 8.844 0.476 19544 2734 1 11 . 1 1 13 13 ASN N N 13 126.113 126.113 119.932 6.181 19544 2735 1 11 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.034 -0.045 19544 2736 1 11 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.668 0.759 19544 2737 1 11 . 1 1 13 13 ASN CB C 13 41.434 41.434 42.183 -0.749 19544 2738 1 11 . 1 1 13 13 ASN H H 13 9.349 9.349 8.458 0.891 19544 2739 1 11 . 1 1 14 14 ILE N N 14 123.849 123.849 121.215 2.634 19544 2740 1 11 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.459 -0.000 19544 2741 1 11 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.619 -0.053 19544 2742 1 11 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.655 -3.127 19544 2743 1 11 . 1 1 14 14 ILE H H 14 8.417 8.417 8.401 0.016 19544 2744 1 11 . 1 1 15 15 GLY N N 15 115.401 115.401 113.155 2.246 19544 2745 1 11 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.142 -0.206 19544 2746 1 11 . 1 1 15 15 GLY H H 15 9.100 9.100 8.578 0.522 19544 2747 1 11 . 1 1 16 16 ASP N N 16 120.669 120.669 120.825 -0.156 19544 2748 1 11 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.689 0.247 19544 2749 1 11 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.111 1.088 19544 2750 1 11 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.416 0.970 19544 2751 1 11 . 1 1 16 16 ASP H H 16 8.754 8.754 8.338 0.416 19544 2752 1 11 . 1 1 17 17 ASP N N 17 115.502 115.502 119.902 -4.400 19544 2753 1 11 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.860 -0.123 19544 2754 1 11 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.962 0.114 19544 2755 1 11 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.962 -1.458 19544 2756 1 11 . 1 1 17 17 ASP H H 17 8.143 8.143 7.941 0.202 19544 2757 1 11 . 1 1 18 18 ILE N N 18 118.662 118.662 119.926 -1.264 19544 2758 1 11 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.070 0.151 19544 2759 1 11 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.304 -0.299 19544 2760 1 11 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.108 -2.458 19544 2761 1 11 . 1 1 18 18 ILE H H 18 7.177 7.177 7.630 -0.453 19544 2762 1 11 . 1 1 19 19 THR N N 19 122.983 122.983 120.943 2.040 19544 2763 1 11 . 1 1 19 19 THR HA H 19 5.119 5.119 4.996 0.123 19544 2764 1 11 . 1 1 19 19 THR CA C 19 60.918 60.918 61.556 -0.638 19544 2765 1 11 . 1 1 19 19 THR CB C 19 71.715 71.715 72.461 -0.746 19544 2766 1 11 . 1 1 19 19 THR H H 19 8.953 8.953 8.739 0.214 19544 2767 1 11 . 1 1 20 20 ILE N N 20 123.406 123.406 121.750 1.656 19544 2768 1 11 . 1 1 20 20 ILE HA H 20 4.925 4.925 4.931 -0.006 19544 2769 1 11 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.366 -0.512 19544 2770 1 11 . 1 1 20 20 ILE CB C 20 40.376 40.376 42.235 -1.859 19544 2771 1 11 . 1 1 20 20 ILE H H 20 8.934 8.934 9.131 -0.197 19544 2772 1 11 . 1 1 21 21 THR N N 21 123.706 123.706 120.722 2.984 19544 2773 1 11 . 1 1 21 21 THR HA H 21 4.843 4.843 4.895 -0.052 19544 2774 1 11 . 1 1 21 21 THR CA C 21 61.530 61.530 61.724 -0.194 19544 2775 1 11 . 1 1 21 21 THR CB C 21 71.954 71.954 71.718 0.237 19544 2776 1 11 . 1 1 21 21 THR H H 21 9.413 9.413 8.827 0.586 19544 2777 1 11 . 1 1 22 22 ILE N N 22 125.648 125.648 129.230 -3.582 19544 2778 1 11 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.258 -0.148 19544 2779 1 11 . 1 1 22 22 ILE CA C 22 59.087 59.087 59.236 -0.149 19544 2780 1 11 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.564 -3.638 19544 2781 1 11 . 1 1 22 22 ILE H H 22 8.081 8.081 8.317 -0.236 19544 2782 1 11 . 1 1 23 23 LEU N N 23 129.374 129.374 129.008 0.366 19544 2783 1 11 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.253 0.276 19544 2784 1 11 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.166 -0.592 19544 2785 1 11 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.974 0.711 19544 2786 1 11 . 1 1 23 23 LEU H H 23 8.819 8.819 8.285 0.534 19544 2787 1 11 . 1 1 24 24 GLY N N 24 104.611 104.611 104.488 0.123 19544 2788 1 11 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.779 1.125 19544 2789 1 11 . 1 1 24 24 GLY H H 24 7.537 7.537 7.594 -0.057 19544 2790 1 11 . 1 1 25 25 VAL N N 25 120.900 120.900 115.665 5.235 19544 2791 1 11 . 1 1 25 25 VAL HA H 25 4.654 4.654 4.965 -0.311 19544 2792 1 11 . 1 1 25 25 VAL CA C 25 61.477 61.477 59.473 2.004 19544 2793 1 11 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.594 0.146 19544 2794 1 11 . 1 1 25 25 VAL H H 25 8.454 8.454 8.273 0.181 19544 2795 1 11 . 1 1 26 26 SER N N 26 121.619 121.619 117.577 4.042 19544 2796 1 11 . 1 1 26 26 SER HA H 26 4.676 4.676 4.663 0.013 19544 2797 1 11 . 1 1 26 26 SER CA C 26 56.360 56.360 58.093 -1.733 19544 2798 1 11 . 1 1 26 26 SER CB C 26 63.802 63.802 64.318 -0.516 19544 2799 1 11 . 1 1 26 26 SER H H 26 8.571 8.571 8.667 -0.096 19544 2800 1 11 . 1 1 27 27 GLY N N 27 118.284 118.284 114.869 3.415 19544 2801 1 11 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.512 0.903 19544 2802 1 11 . 1 1 27 27 GLY H H 27 9.023 9.023 8.526 0.497 19544 2803 1 11 . 1 1 28 28 GLN N N 28 124.398 124.398 124.114 0.284 19544 2804 1 11 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.489 -0.199 19544 2805 1 11 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.479 -0.267 19544 2806 1 11 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.505 0.049 19544 2807 1 11 . 1 1 28 28 GLN H H 28 8.776 8.776 8.614 0.162 19544 2808 1 11 . 1 1 29 29 GLN N N 29 117.501 117.501 120.207 -2.706 19544 2809 1 11 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.327 0.303 19544 2810 1 11 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.962 -0.667 19544 2811 1 11 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.000 1.682 19544 2812 1 11 . 1 1 29 29 GLN H H 29 8.289 8.289 7.601 0.688 19544 2813 1 11 . 1 1 30 30 VAL N N 30 124.451 124.451 120.965 3.486 19544 2814 1 11 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.471 0.107 19544 2815 1 11 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.611 -1.147 19544 2816 1 11 . 1 1 30 30 VAL CB C 30 34.413 34.413 33.974 0.439 19544 2817 1 11 . 1 1 30 30 VAL H H 30 9.174 9.174 8.361 0.813 19544 2818 1 11 . 1 1 31 31 ARG N N 31 128.251 128.251 127.876 0.375 19544 2819 1 11 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.506 0.131 19544 2820 1 11 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.830 -0.329 19544 2821 1 11 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.808 1.018 19544 2822 1 11 . 1 1 31 31 ARG H H 31 8.765 8.765 8.306 0.459 19544 2823 1 11 . 1 1 32 32 ILE N N 32 127.573 127.573 125.103 2.470 19544 2824 1 11 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.577 0.083 19544 2825 1 11 . 1 1 32 32 ILE CA C 32 59.568 59.568 60.047 -0.479 19544 2826 1 11 . 1 1 32 32 ILE CB C 32 41.055 41.055 39.707 1.348 19544 2827 1 11 . 1 1 32 32 ILE H H 32 8.949 8.949 8.406 0.543 19544 2828 1 11 . 1 1 33 33 GLY N N 33 112.581 112.581 115.559 -2.978 19544 2829 1 11 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.484 1.110 19544 2830 1 11 . 1 1 33 33 GLY H H 33 9.127 9.127 9.009 0.118 19544 2831 1 11 . 1 1 34 34 ILE N N 34 124.726 124.726 121.035 3.691 19544 2832 1 11 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.631 0.199 19544 2833 1 11 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.203 0.747 19544 2834 1 11 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.137 -0.833 19544 2835 1 11 . 1 1 34 34 ILE H H 34 9.599 9.599 8.280 1.319 19544 2836 1 11 . 1 1 35 35 ASN N N 35 129.529 129.529 124.130 5.399 19544 2837 1 11 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.971 0.124 19544 2838 1 11 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.513 -0.513 19544 2839 1 11 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.389 -0.241 19544 2840 1 11 . 1 1 35 35 ASN H H 35 9.035 9.035 8.756 0.279 19544 2841 1 11 . 1 1 36 36 ALA N N 36 125.575 125.575 127.806 -2.231 19544 2842 1 11 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.224 -0.164 19544 2843 1 11 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.392 -0.075 19544 2844 1 11 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.045 -1.147 19544 2845 1 11 . 1 1 36 36 ALA H H 36 8.231 8.231 8.130 0.101 19544 2846 1 11 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.527 -0.115 19544 2847 1 11 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.141 0.759 19544 2848 1 11 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.697 -0.372 19544 2849 1 11 . 1 1 38 38 LYS N N 38 121.064 121.064 121.761 -0.697 19544 2850 1 11 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.056 -0.263 19544 2851 1 11 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.719 1.079 19544 2852 1 11 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.747 0.096 19544 2853 1 11 . 1 1 38 38 LYS H H 38 8.555 8.555 8.454 0.101 19544 2854 1 11 . 1 1 39 39 ASP N N 39 113.867 113.867 118.696 -4.829 19544 2855 1 11 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.503 -0.149 19544 2856 1 11 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.735 -0.780 19544 2857 1 11 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.111 -1.399 19544 2858 1 11 . 1 1 39 39 ASP H H 39 8.159 8.159 8.215 -0.056 19544 2859 1 11 . 1 1 40 40 VAL N N 40 122.635 122.635 114.430 8.205 19544 2860 1 11 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.465 -0.495 19544 2861 1 11 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.791 2.015 19544 2862 1 11 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.482 -3.510 19544 2863 1 11 . 1 1 40 40 VAL H H 40 8.050 8.050 7.451 0.599 19544 2864 1 11 . 1 1 41 41 ALA N N 41 133.705 133.705 125.576 8.129 19544 2865 1 11 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.870 -0.415 19544 2866 1 11 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.069 1.075 19544 2867 1 11 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.838 -0.917 19544 2868 1 11 . 1 1 41 41 ALA H H 41 8.917 8.917 8.337 0.580 19544 2869 1 11 . 1 1 42 42 VAL N N 42 125.251 125.251 119.959 5.292 19544 2870 1 11 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.276 0.123 19544 2871 1 11 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.304 -0.717 19544 2872 1 11 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.191 0.382 19544 2873 1 11 . 1 1 42 42 VAL H H 42 7.870 7.870 7.907 -0.037 19544 2874 1 11 . 1 1 43 43 HIS N N 43 118.702 118.702 123.619 -4.917 19544 2875 1 11 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.881 0.668 19544 2876 1 11 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.342 -1.599 19544 2877 1 11 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.871 5.913 19544 2878 1 11 . 1 1 43 43 HIS H H 43 8.605 8.605 8.361 0.244 19544 2879 1 11 . 1 1 44 44 ARG N N 44 121.777 121.777 121.429 0.348 19544 2880 1 11 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.388 -0.429 19544 2881 1 11 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.941 2.244 19544 2882 1 11 . 1 1 44 44 ARG H H 44 8.395 8.395 8.701 -0.306 19544 2883 1 11 . 1 1 45 45 GLU N N 45 125.983 125.983 122.162 3.821 19544 2884 1 11 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.162 0.247 19544 2885 1 11 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.561 0.326 19544 2886 1 11 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.817 0.127 19544 2887 1 11 . 1 1 45 45 GLU H H 45 7.926 7.926 8.972 -1.046 19544 2888 1 11 . 1 1 46 46 GLU N N 46 118.177 118.177 116.793 1.384 19544 2889 1 11 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.252 -0.001 19544 2890 1 11 . 1 1 46 46 GLU CA C 46 58.573 58.573 57.980 0.593 19544 2891 1 11 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.301 -2.451 19544 2892 1 11 . 1 1 46 46 GLU H H 46 10.750 10.750 8.693 2.057 19544 2893 1 11 . 1 1 47 47 ILE N N 47 122.609 122.609 119.055 3.554 19544 2894 1 11 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.165 -0.425 19544 2895 1 11 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.706 -0.157 19544 2896 1 11 . 1 1 47 47 ILE CB C 47 34.717 34.717 39.131 -4.414 19544 2897 1 11 . 1 1 47 47 ILE H H 47 7.166 7.166 7.578 -0.412 19544 2898 1 11 . 1 1 48 48 TYR N N 48 122.090 122.090 121.831 0.259 19544 2899 1 11 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.942 -0.330 19544 2900 1 11 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.156 1.154 19544 2901 1 11 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.173 0.874 19544 2902 1 11 . 1 1 48 48 TYR H H 48 8.113 8.113 8.752 -0.639 19544 2903 1 11 . 1 1 49 49 GLN N N 49 114.980 114.980 116.577 -1.597 19544 2904 1 11 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.724 0.120 19544 2905 1 11 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.812 0.753 19544 2906 1 11 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.509 -0.406 19544 2907 1 11 . 1 1 49 49 GLN H H 49 8.573 8.573 8.011 0.562 19544 2908 1 11 . 1 1 50 50 ARG N N 50 120.374 120.374 119.972 0.402 19544 2909 1 11 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.174 -0.210 19544 2910 1 11 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.524 0.629 19544 2911 1 11 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.771 -0.362 19544 2912 1 11 . 1 1 50 50 ARG H H 50 7.176 7.176 7.644 -0.468 19544 2913 1 11 . 1 1 51 51 ILE N N 51 120.770 120.770 119.290 1.480 19544 2914 1 11 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.757 -0.189 19544 2915 1 11 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.894 0.780 19544 2916 1 11 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.578 0.501 19544 2917 1 11 . 1 1 51 51 ILE H H 51 7.993 7.993 7.497 0.496 19544 2918 1 11 . 1 1 52 52 GLN N N 52 118.553 118.553 116.522 2.031 19544 2919 1 11 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.278 -0.491 19544 2920 1 11 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.662 1.791 19544 2921 1 11 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.653 -0.613 19544 2922 1 11 . 1 1 52 52 GLN H H 52 7.927 7.927 7.491 0.436 19544 2923 1 11 . 1 1 53 53 ALA N N 53 120.448 120.448 120.854 -0.406 19544 2924 1 11 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.642 -0.483 19544 2925 1 11 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.081 1.095 19544 2926 1 11 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.233 -2.814 19544 2927 1 11 . 1 1 53 53 ALA H H 53 7.600 7.600 7.700 -0.100 19544 2928 1 11 . 1 1 54 54 GLY N N 54 105.491 105.491 107.437 -1.946 19544 2929 1 11 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.271 0.246 19544 2930 1 11 . 1 1 54 54 GLY H H 54 7.671 7.671 8.084 -0.413 19544 2931 1 11 . 1 1 55 55 LEU N N 55 120.780 120.780 117.692 3.088 19544 2932 1 11 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.879 -0.567 19544 2933 1 11 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.711 0.129 19544 2934 1 11 . 1 1 55 55 LEU CB C 55 42.133 42.133 43.808 -1.675 19544 2935 1 11 . 1 1 55 55 LEU H H 55 7.640 7.640 8.108 -0.468 19544 2936 1 11 . 1 1 56 56 THR N N 56 113.308 113.308 112.520 0.788 19544 2937 1 11 . 1 1 56 56 THR HA H 56 4.271 4.271 4.552 -0.281 19544 2938 1 11 . 1 1 56 56 THR CA C 56 61.302 61.302 62.666 -1.363 19544 2939 1 11 . 1 1 56 56 THR CB C 56 69.901 69.901 69.555 0.347 19544 2940 1 11 . 1 1 56 56 THR H H 56 7.788 7.788 8.630 -0.842 19544 2941 1 11 . 1 1 57 57 ALA N N 57 127.382 127.382 123.328 4.054 19544 2942 1 11 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.630 -0.122 19544 2943 1 11 . 1 1 57 57 ALA CA C 57 50.519 50.519 52.123 -1.604 19544 2944 1 11 . 1 1 57 57 ALA CB C 57 18.234 18.234 18.265 -0.031 19544 2945 1 11 . 1 1 57 57 ALA H H 57 8.072 8.072 8.011 0.061 19544 2946 1 11 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.451 -0.136 19544 2947 1 11 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.761 0.588 19544 2948 1 11 . 1 1 58 58 PRO CB C 58 31.892 31.892 31.959 -0.067 19544 2949 1 12 . 1 1 2 2 LEU N N 2 124.411 124.411 127.761 -3.350 19544 2950 1 12 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.813 -0.379 19544 2951 1 12 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.004 -0.728 19544 2952 1 12 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.812 -0.612 19544 2953 1 12 . 1 1 2 2 LEU H H 2 8.389 8.389 8.542 -0.153 19544 2954 1 12 . 1 1 3 3 ILE N N 3 130.539 130.539 124.299 6.240 19544 2955 1 12 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.172 0.755 19544 2956 1 12 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.380 -1.226 19544 2957 1 12 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.572 -0.738 19544 2958 1 12 . 1 1 3 3 ILE H H 3 10.459 10.459 8.376 2.083 19544 2959 1 12 . 1 1 4 4 LEU N N 4 123.187 123.187 125.210 -2.023 19544 2960 1 12 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.736 0.124 19544 2961 1 12 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.817 -1.363 19544 2962 1 12 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.139 1.460 19544 2963 1 12 . 1 1 4 4 LEU H H 4 8.600 8.600 8.182 0.418 19544 2964 1 12 . 1 1 5 5 THR N N 5 116.018 116.018 114.062 1.956 19544 2965 1 12 . 1 1 5 5 THR HA H 5 5.507 5.507 4.699 0.808 19544 2966 1 12 . 1 1 5 5 THR CA C 5 60.401 60.401 61.350 -0.949 19544 2967 1 12 . 1 1 5 5 THR CB C 5 69.984 69.984 69.933 0.051 19544 2968 1 12 . 1 1 5 5 THR H H 5 9.416 9.416 8.256 1.160 19544 2969 1 12 . 1 1 6 6 ARG N N 6 123.849 123.849 122.399 1.450 19544 2970 1 12 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.595 0.418 19544 2971 1 12 . 1 1 6 6 ARG CA C 6 55.534 55.534 54.838 0.696 19544 2972 1 12 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.338 6.445 19544 2973 1 12 . 1 1 6 6 ARG H H 6 9.336 9.336 8.347 0.989 19544 2974 1 12 . 1 1 7 7 LYS N N 7 123.068 123.068 122.470 0.598 19544 2975 1 12 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.591 0.508 19544 2976 1 12 . 1 1 7 7 LYS CA C 7 54.070 54.070 54.738 -0.668 19544 2977 1 12 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.097 0.247 19544 2978 1 12 . 1 1 7 7 LYS H H 7 9.381 9.381 8.316 1.065 19544 2979 1 12 . 1 1 8 8 VAL N N 8 118.072 118.072 119.325 -1.253 19544 2980 1 12 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.994 -0.690 19544 2981 1 12 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.554 2.274 19544 2982 1 12 . 1 1 8 8 VAL CB C 8 31.572 31.572 29.955 1.617 19544 2983 1 12 . 1 1 8 8 VAL H H 8 7.682 7.682 8.340 -0.658 19544 2984 1 12 . 1 1 9 9 GLY N N 9 115.704 115.704 116.411 -0.707 19544 2985 1 12 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.875 -0.340 19544 2986 1 12 . 1 1 9 9 GLY H H 9 9.252 9.252 9.230 0.022 19544 2987 1 12 . 1 1 10 10 GLU N N 10 119.256 119.256 120.955 -1.699 19544 2988 1 12 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.736 0.151 19544 2989 1 12 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.804 0.954 19544 2990 1 12 . 1 1 10 10 GLU CB C 10 32.851 32.851 30.988 1.863 19544 2991 1 12 . 1 1 10 10 GLU H H 10 8.332 8.332 8.422 -0.090 19544 2992 1 12 . 1 1 11 11 SER N N 11 112.505 112.505 112.194 0.311 19544 2993 1 12 . 1 1 11 11 SER HA H 11 5.879 5.879 5.170 0.709 19544 2994 1 12 . 1 1 11 11 SER CA C 11 57.963 57.963 57.600 0.363 19544 2995 1 12 . 1 1 11 11 SER CB C 11 66.878 66.878 66.573 0.305 19544 2996 1 12 . 1 1 11 11 SER H H 11 8.661 8.661 8.392 0.269 19544 2997 1 12 . 1 1 12 12 ILE N N 12 124.635 124.635 120.323 4.312 19544 2998 1 12 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.487 -0.117 19544 2999 1 12 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.349 -0.410 19544 3000 1 12 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.967 -0.245 19544 3001 1 12 . 1 1 12 12 ILE H H 12 9.320 9.320 8.756 0.564 19544 3002 1 12 . 1 1 13 13 ASN N N 13 126.113 126.113 120.091 6.022 19544 3003 1 12 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.039 -0.050 19544 3004 1 12 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.585 0.842 19544 3005 1 12 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.814 -0.380 19544 3006 1 12 . 1 1 13 13 ASN H H 13 9.349 9.349 8.448 0.901 19544 3007 1 12 . 1 1 14 14 ILE N N 14 123.849 123.849 121.129 2.720 19544 3008 1 12 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.460 -0.001 19544 3009 1 12 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.607 -0.041 19544 3010 1 12 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.661 -3.133 19544 3011 1 12 . 1 1 14 14 ILE H H 14 8.417 8.417 8.388 0.029 19544 3012 1 12 . 1 1 15 15 GLY N N 15 115.401 115.401 112.633 2.768 19544 3013 1 12 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.415 -0.479 19544 3014 1 12 . 1 1 15 15 GLY H H 15 9.100 9.100 8.584 0.516 19544 3015 1 12 . 1 1 16 16 ASP N N 16 120.669 120.669 121.660 -0.991 19544 3016 1 12 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.731 0.205 19544 3017 1 12 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.339 0.860 19544 3018 1 12 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.406 0.980 19544 3019 1 12 . 1 1 16 16 ASP H H 16 8.754 8.754 8.273 0.481 19544 3020 1 12 . 1 1 17 17 ASP N N 17 115.502 115.502 118.942 -3.440 19544 3021 1 12 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.774 -0.037 19544 3022 1 12 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.939 0.138 19544 3023 1 12 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.721 -1.217 19544 3024 1 12 . 1 1 17 17 ASP H H 17 8.143 8.143 7.878 0.265 19544 3025 1 12 . 1 1 18 18 ILE N N 18 118.662 118.662 119.984 -1.322 19544 3026 1 12 . 1 1 18 18 ILE HA H 18 5.221 5.221 4.987 0.234 19544 3027 1 12 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.341 -0.336 19544 3028 1 12 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.114 -2.464 19544 3029 1 12 . 1 1 18 18 ILE H H 18 7.177 7.177 7.675 -0.498 19544 3030 1 12 . 1 1 19 19 THR N N 19 122.983 122.983 120.859 2.124 19544 3031 1 12 . 1 1 19 19 THR HA H 19 5.119 5.119 4.975 0.144 19544 3032 1 12 . 1 1 19 19 THR CA C 19 60.918 60.918 61.385 -0.467 19544 3033 1 12 . 1 1 19 19 THR CB C 19 71.715 71.715 72.109 -0.394 19544 3034 1 12 . 1 1 19 19 THR H H 19 8.953 8.953 8.675 0.278 19544 3035 1 12 . 1 1 20 20 ILE N N 20 123.406 123.406 121.915 1.491 19544 3036 1 12 . 1 1 20 20 ILE HA H 20 4.925 4.925 5.060 -0.135 19544 3037 1 12 . 1 1 20 20 ILE CA C 20 58.854 58.854 58.938 -0.084 19544 3038 1 12 . 1 1 20 20 ILE CB C 20 40.376 40.376 41.800 -1.424 19544 3039 1 12 . 1 1 20 20 ILE H H 20 8.934 8.934 9.069 -0.135 19544 3040 1 12 . 1 1 21 21 THR N N 21 123.706 123.706 119.658 4.048 19544 3041 1 12 . 1 1 21 21 THR HA H 21 4.843 4.843 4.973 -0.130 19544 3042 1 12 . 1 1 21 21 THR CA C 21 61.530 61.530 61.399 0.131 19544 3043 1 12 . 1 1 21 21 THR CB C 21 71.954 71.954 72.438 -0.484 19544 3044 1 12 . 1 1 21 21 THR H H 21 9.413 9.413 8.957 0.456 19544 3045 1 12 . 1 1 22 22 ILE N N 22 125.648 125.648 126.907 -1.259 19544 3046 1 12 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.552 -0.442 19544 3047 1 12 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.386 0.701 19544 3048 1 12 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.912 -3.986 19544 3049 1 12 . 1 1 22 22 ILE H H 22 8.081 8.081 8.383 -0.302 19544 3050 1 12 . 1 1 23 23 LEU N N 23 129.374 129.374 127.973 1.401 19544 3051 1 12 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.240 0.289 19544 3052 1 12 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.477 -0.903 19544 3053 1 12 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.875 0.810 19544 3054 1 12 . 1 1 23 23 LEU H H 23 8.819 8.819 8.274 0.545 19544 3055 1 12 . 1 1 24 24 GLY N N 24 104.611 104.611 103.928 0.683 19544 3056 1 12 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.769 1.136 19544 3057 1 12 . 1 1 24 24 GLY H H 24 7.537 7.537 7.516 0.021 19544 3058 1 12 . 1 1 25 25 VAL N N 25 120.900 120.900 115.511 5.389 19544 3059 1 12 . 1 1 25 25 VAL HA H 25 4.654 4.654 4.828 -0.174 19544 3060 1 12 . 1 1 25 25 VAL CA C 25 61.477 61.477 60.160 1.317 19544 3061 1 12 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.726 0.014 19544 3062 1 12 . 1 1 25 25 VAL H H 25 8.454 8.454 8.234 0.220 19544 3063 1 12 . 1 1 26 26 SER N N 26 121.619 121.619 119.069 2.550 19544 3064 1 12 . 1 1 26 26 SER HA H 26 4.676 4.676 4.692 -0.016 19544 3065 1 12 . 1 1 26 26 SER CA C 26 56.360 56.360 58.157 -1.797 19544 3066 1 12 . 1 1 26 26 SER CB C 26 63.802 63.802 64.062 -0.260 19544 3067 1 12 . 1 1 26 26 SER H H 26 8.571 8.571 8.550 0.021 19544 3068 1 12 . 1 1 27 27 GLY N N 27 118.284 118.284 114.874 3.410 19544 3069 1 12 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.408 1.007 19544 3070 1 12 . 1 1 27 27 GLY H H 27 9.023 9.023 8.520 0.503 19544 3071 1 12 . 1 1 28 28 GLN N N 28 124.398 124.398 124.051 0.347 19544 3072 1 12 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.494 -0.204 19544 3073 1 12 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.447 -0.235 19544 3074 1 12 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.393 0.160 19544 3075 1 12 . 1 1 28 28 GLN H H 28 8.776 8.776 8.599 0.177 19544 3076 1 12 . 1 1 29 29 GLN N N 29 117.501 117.501 119.961 -2.460 19544 3077 1 12 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.353 0.277 19544 3078 1 12 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.727 -0.433 19544 3079 1 12 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.130 1.552 19544 3080 1 12 . 1 1 29 29 GLN H H 29 8.289 8.289 7.610 0.679 19544 3081 1 12 . 1 1 30 30 VAL N N 30 124.451 124.451 120.419 4.032 19544 3082 1 12 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.442 0.136 19544 3083 1 12 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.590 -1.126 19544 3084 1 12 . 1 1 30 30 VAL CB C 30 34.413 34.413 33.911 0.502 19544 3085 1 12 . 1 1 30 30 VAL H H 30 9.174 9.174 8.366 0.808 19544 3086 1 12 . 1 1 31 31 ARG N N 31 128.251 128.251 127.960 0.291 19544 3087 1 12 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.391 0.246 19544 3088 1 12 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.885 -0.384 19544 3089 1 12 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.313 1.513 19544 3090 1 12 . 1 1 31 31 ARG H H 31 8.765 8.765 8.349 0.416 19544 3091 1 12 . 1 1 32 32 ILE N N 32 127.573 127.573 124.508 3.065 19544 3092 1 12 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.734 -0.074 19544 3093 1 12 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.697 -0.129 19544 3094 1 12 . 1 1 32 32 ILE CB C 32 41.055 41.055 40.568 0.487 19544 3095 1 12 . 1 1 32 32 ILE H H 32 8.949 8.949 8.154 0.795 19544 3096 1 12 . 1 1 33 33 GLY N N 33 112.581 112.581 113.438 -0.857 19544 3097 1 12 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.369 1.225 19544 3098 1 12 . 1 1 33 33 GLY H H 33 9.127 9.127 8.838 0.289 19544 3099 1 12 . 1 1 34 34 ILE N N 34 124.726 124.726 120.578 4.148 19544 3100 1 12 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.719 0.111 19544 3101 1 12 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.191 0.759 19544 3102 1 12 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.396 -1.092 19544 3103 1 12 . 1 1 34 34 ILE H H 34 9.599 9.599 8.351 1.248 19544 3104 1 12 . 1 1 35 35 ASN N N 35 129.529 129.529 124.108 5.421 19544 3105 1 12 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.974 0.121 19544 3106 1 12 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.443 -0.443 19544 3107 1 12 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.348 -0.200 19544 3108 1 12 . 1 1 35 35 ASN H H 35 9.035 9.035 8.853 0.182 19544 3109 1 12 . 1 1 36 36 ALA N N 36 125.575 125.575 127.439 -1.864 19544 3110 1 12 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.197 -0.137 19544 3111 1 12 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.343 -0.027 19544 3112 1 12 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.062 -1.164 19544 3113 1 12 . 1 1 36 36 ALA H H 36 8.231 8.231 8.121 0.110 19544 3114 1 12 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.522 -0.110 19544 3115 1 12 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.152 0.748 19544 3116 1 12 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.892 -0.567 19544 3117 1 12 . 1 1 38 38 LYS N N 38 121.064 121.064 121.679 -0.615 19544 3118 1 12 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.093 -0.300 19544 3119 1 12 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.688 1.110 19544 3120 1 12 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.686 0.158 19544 3121 1 12 . 1 1 38 38 LYS H H 38 8.555 8.555 8.564 -0.009 19544 3122 1 12 . 1 1 39 39 ASP N N 39 113.867 113.867 118.865 -4.998 19544 3123 1 12 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.485 -0.131 19544 3124 1 12 . 1 1 39 39 ASP CA C 39 53.955 53.955 55.163 -1.208 19544 3125 1 12 . 1 1 39 39 ASP CB C 39 39.712 39.712 40.963 -1.251 19544 3126 1 12 . 1 1 39 39 ASP H H 39 8.159 8.159 8.367 -0.208 19544 3127 1 12 . 1 1 40 40 VAL N N 40 122.635 122.635 114.744 7.891 19544 3128 1 12 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.432 -0.462 19544 3129 1 12 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.843 1.963 19544 3130 1 12 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.129 -3.157 19544 3131 1 12 . 1 1 40 40 VAL H H 40 8.050 8.050 7.517 0.533 19544 3132 1 12 . 1 1 41 41 ALA N N 41 133.705 133.705 125.679 8.026 19544 3133 1 12 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.843 -0.388 19544 3134 1 12 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.224 0.920 19544 3135 1 12 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.871 -0.950 19544 3136 1 12 . 1 1 41 41 ALA H H 41 8.917 8.917 8.293 0.624 19544 3137 1 12 . 1 1 42 42 VAL N N 42 125.251 125.251 120.257 4.994 19544 3138 1 12 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.233 0.166 19544 3139 1 12 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.662 -1.075 19544 3140 1 12 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.285 0.287 19544 3141 1 12 . 1 1 42 42 VAL H H 42 7.870 7.870 7.858 0.012 19544 3142 1 12 . 1 1 43 43 HIS N N 43 118.702 118.702 124.277 -5.575 19544 3143 1 12 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.959 0.590 19544 3144 1 12 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.353 -1.610 19544 3145 1 12 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.876 5.908 19544 3146 1 12 . 1 1 43 43 HIS H H 43 8.605 8.605 8.258 0.347 19544 3147 1 12 . 1 1 44 44 ARG N N 44 121.777 121.777 121.329 0.448 19544 3148 1 12 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.383 -0.424 19544 3149 1 12 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.851 2.334 19544 3150 1 12 . 1 1 44 44 ARG H H 44 8.395 8.395 8.697 -0.302 19544 3151 1 12 . 1 1 45 45 GLU N N 45 125.983 125.983 122.432 3.551 19544 3152 1 12 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.158 0.251 19544 3153 1 12 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.698 0.189 19544 3154 1 12 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.783 0.161 19544 3155 1 12 . 1 1 45 45 GLU H H 45 7.926 7.926 8.992 -1.066 19544 3156 1 12 . 1 1 46 46 GLU N N 46 118.177 118.177 116.646 1.531 19544 3157 1 12 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.254 -0.003 19544 3158 1 12 . 1 1 46 46 GLU CA C 46 58.573 58.573 57.877 0.696 19544 3159 1 12 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.317 -2.467 19544 3160 1 12 . 1 1 46 46 GLU H H 46 10.750 10.750 8.681 2.069 19544 3161 1 12 . 1 1 47 47 ILE N N 47 122.609 122.609 119.083 3.526 19544 3162 1 12 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.169 -0.429 19544 3163 1 12 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.835 -0.286 19544 3164 1 12 . 1 1 47 47 ILE CB C 47 34.717 34.717 39.094 -4.377 19544 3165 1 12 . 1 1 47 47 ILE H H 47 7.166 7.166 7.759 -0.593 19544 3166 1 12 . 1 1 48 48 TYR N N 48 122.090 122.090 121.818 0.272 19544 3167 1 12 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.937 -0.325 19544 3168 1 12 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.083 1.227 19544 3169 1 12 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.151 0.896 19544 3170 1 12 . 1 1 48 48 TYR H H 48 8.113 8.113 8.868 -0.755 19544 3171 1 12 . 1 1 49 49 GLN N N 49 114.980 114.980 116.550 -1.570 19544 3172 1 12 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.697 0.147 19544 3173 1 12 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.776 0.789 19544 3174 1 12 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.494 -0.391 19544 3175 1 12 . 1 1 49 49 GLN H H 49 8.573 8.573 7.979 0.594 19544 3176 1 12 . 1 1 50 50 ARG N N 50 120.374 120.374 119.986 0.388 19544 3177 1 12 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.172 -0.208 19544 3178 1 12 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.537 0.616 19544 3179 1 12 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.762 -0.353 19544 3180 1 12 . 1 1 50 50 ARG H H 50 7.176 7.176 7.634 -0.458 19544 3181 1 12 . 1 1 51 51 ILE N N 51 120.770 120.770 119.303 1.467 19544 3182 1 12 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.762 -0.194 19544 3183 1 12 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.900 0.774 19544 3184 1 12 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.576 0.503 19544 3185 1 12 . 1 1 51 51 ILE H H 51 7.993 7.993 7.494 0.499 19544 3186 1 12 . 1 1 52 52 GLN N N 52 118.553 118.553 116.530 2.023 19544 3187 1 12 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.285 -0.498 19544 3188 1 12 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.690 1.763 19544 3189 1 12 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.632 -0.592 19544 3190 1 12 . 1 1 52 52 GLN H H 52 7.927 7.927 7.506 0.421 19544 3191 1 12 . 1 1 53 53 ALA N N 53 120.448 120.448 120.851 -0.403 19544 3192 1 12 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.632 -0.473 19544 3193 1 12 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.066 1.110 19544 3194 1 12 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.173 -2.754 19544 3195 1 12 . 1 1 53 53 ALA H H 53 7.600 7.600 7.666 -0.066 19544 3196 1 12 . 1 1 54 54 GLY N N 54 105.491 105.491 107.364 -1.873 19544 3197 1 12 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.144 0.373 19544 3198 1 12 . 1 1 54 54 GLY H H 54 7.671 7.671 8.079 -0.408 19544 3199 1 12 . 1 1 55 55 LEU N N 55 120.780 120.780 117.164 3.616 19544 3200 1 12 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.885 -0.573 19544 3201 1 12 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.654 0.186 19544 3202 1 12 . 1 1 55 55 LEU CB C 55 42.133 42.133 43.814 -1.681 19544 3203 1 12 . 1 1 55 55 LEU H H 55 7.640 7.640 8.126 -0.486 19544 3204 1 12 . 1 1 56 56 THR N N 56 113.308 113.308 110.393 2.915 19544 3205 1 12 . 1 1 56 56 THR HA H 56 4.271 4.271 4.533 -0.262 19544 3206 1 12 . 1 1 56 56 THR CA C 56 61.302 61.302 61.854 -0.552 19544 3207 1 12 . 1 1 56 56 THR CB C 56 69.901 69.901 70.353 -0.452 19544 3208 1 12 . 1 1 56 56 THR H H 56 7.788 7.788 8.614 -0.826 19544 3209 1 12 . 1 1 57 57 ALA N N 57 127.382 127.382 124.325 3.057 19544 3210 1 12 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.609 -0.101 19544 3211 1 12 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.069 -0.550 19544 3212 1 12 . 1 1 57 57 ALA CB C 57 18.234 18.234 19.234 -1.000 19544 3213 1 12 . 1 1 57 57 ALA H H 57 8.072 8.072 7.782 0.290 19544 3214 1 12 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.270 0.045 19544 3215 1 12 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.617 -1.268 19544 3216 1 12 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.126 -0.234 19544 3217 1 13 . 1 1 2 2 LEU N N 2 124.411 124.411 128.187 -3.776 19544 3218 1 13 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.815 -0.381 19544 3219 1 13 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.046 -0.770 19544 3220 1 13 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.988 -0.789 19544 3221 1 13 . 1 1 2 2 LEU H H 2 8.389 8.389 8.560 -0.171 19544 3222 1 13 . 1 1 3 3 ILE N N 3 130.539 130.539 124.151 6.388 19544 3223 1 13 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.179 0.748 19544 3224 1 13 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.425 -1.271 19544 3225 1 13 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.572 -0.738 19544 3226 1 13 . 1 1 3 3 ILE H H 3 10.459 10.459 8.361 2.098 19544 3227 1 13 . 1 1 4 4 LEU N N 4 123.187 123.187 126.604 -3.417 19544 3228 1 13 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.638 0.222 19544 3229 1 13 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.698 -1.244 19544 3230 1 13 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.033 1.566 19544 3231 1 13 . 1 1 4 4 LEU H H 4 8.600 8.600 8.076 0.524 19544 3232 1 13 . 1 1 5 5 THR N N 5 116.018 116.018 114.487 1.531 19544 3233 1 13 . 1 1 5 5 THR HA H 5 5.507 5.507 4.518 0.989 19544 3234 1 13 . 1 1 5 5 THR CA C 5 60.401 60.401 61.601 -1.200 19544 3235 1 13 . 1 1 5 5 THR CB C 5 69.984 69.984 69.682 0.302 19544 3236 1 13 . 1 1 5 5 THR H H 5 9.416 9.416 8.246 1.170 19544 3237 1 13 . 1 1 6 6 ARG N N 6 123.849 123.849 123.383 0.466 19544 3238 1 13 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.449 0.564 19544 3239 1 13 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.534 -0.000 19544 3240 1 13 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.243 6.540 19544 3241 1 13 . 1 1 6 6 ARG H H 6 9.336 9.336 8.400 0.936 19544 3242 1 13 . 1 1 7 7 LYS N N 7 123.068 123.068 125.825 -2.757 19544 3243 1 13 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.451 0.648 19544 3244 1 13 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.326 -1.256 19544 3245 1 13 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.200 0.144 19544 3246 1 13 . 1 1 7 7 LYS H H 7 9.381 9.381 9.091 0.290 19544 3247 1 13 . 1 1 8 8 VAL N N 8 118.072 118.072 120.239 -2.167 19544 3248 1 13 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.907 -0.603 19544 3249 1 13 . 1 1 8 8 VAL CA C 8 65.828 65.828 62.635 3.193 19544 3250 1 13 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.672 0.900 19544 3251 1 13 . 1 1 8 8 VAL H H 8 7.682 7.682 8.271 -0.589 19544 3252 1 13 . 1 1 9 9 GLY N N 9 115.704 115.704 115.988 -0.284 19544 3253 1 13 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.856 -0.321 19544 3254 1 13 . 1 1 9 9 GLY H H 9 9.252 9.252 8.961 0.291 19544 3255 1 13 . 1 1 10 10 GLU N N 10 119.256 119.256 119.712 -0.456 19544 3256 1 13 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.819 0.068 19544 3257 1 13 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.332 1.426 19544 3258 1 13 . 1 1 10 10 GLU CB C 10 32.851 32.851 32.381 0.470 19544 3259 1 13 . 1 1 10 10 GLU H H 10 8.332 8.332 7.874 0.458 19544 3260 1 13 . 1 1 11 11 SER N N 11 112.505 112.505 113.239 -0.734 19544 3261 1 13 . 1 1 11 11 SER HA H 11 5.879 5.879 5.335 0.544 19544 3262 1 13 . 1 1 11 11 SER CA C 11 57.963 57.963 57.231 0.732 19544 3263 1 13 . 1 1 11 11 SER CB C 11 66.878 66.878 66.325 0.553 19544 3264 1 13 . 1 1 11 11 SER H H 11 8.661 8.661 8.377 0.284 19544 3265 1 13 . 1 1 12 12 ILE N N 12 124.635 124.635 119.821 4.814 19544 3266 1 13 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.472 -0.102 19544 3267 1 13 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.255 -0.316 19544 3268 1 13 . 1 1 12 12 ILE CB C 12 42.722 42.722 43.002 -0.280 19544 3269 1 13 . 1 1 12 12 ILE H H 12 9.320 9.320 8.790 0.530 19544 3270 1 13 . 1 1 13 13 ASN N N 13 126.113 126.113 120.246 5.867 19544 3271 1 13 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.221 -0.232 19544 3272 1 13 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.544 0.883 19544 3273 1 13 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.829 -0.395 19544 3274 1 13 . 1 1 13 13 ASN H H 13 9.349 9.349 8.465 0.884 19544 3275 1 13 . 1 1 14 14 ILE N N 14 123.849 123.849 121.301 2.548 19544 3276 1 13 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.453 0.006 19544 3277 1 13 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.635 -0.069 19544 3278 1 13 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.589 -3.061 19544 3279 1 13 . 1 1 14 14 ILE H H 14 8.417 8.417 8.414 0.003 19544 3280 1 13 . 1 1 15 15 GLY N N 15 115.401 115.401 113.313 2.088 19544 3281 1 13 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.056 -0.120 19544 3282 1 13 . 1 1 15 15 GLY H H 15 9.100 9.100 8.620 0.480 19544 3283 1 13 . 1 1 16 16 ASP N N 16 120.669 120.669 122.621 -1.952 19544 3284 1 13 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.733 0.203 19544 3285 1 13 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.277 0.922 19544 3286 1 13 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.462 0.923 19544 3287 1 13 . 1 1 16 16 ASP H H 16 8.754 8.754 8.371 0.383 19544 3288 1 13 . 1 1 17 17 ASP N N 17 115.502 115.502 119.834 -4.332 19544 3289 1 13 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.846 -0.109 19544 3290 1 13 . 1 1 17 17 ASP CA C 17 54.077 54.077 54.044 0.033 19544 3291 1 13 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.793 -1.289 19544 3292 1 13 . 1 1 17 17 ASP H H 17 8.143 8.143 7.993 0.150 19544 3293 1 13 . 1 1 18 18 ILE N N 18 118.662 118.662 119.911 -1.249 19544 3294 1 13 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.007 0.214 19544 3295 1 13 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.375 -0.370 19544 3296 1 13 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.207 -2.557 19544 3297 1 13 . 1 1 18 18 ILE H H 18 7.177 7.177 7.638 -0.461 19544 3298 1 13 . 1 1 19 19 THR N N 19 122.983 122.983 121.113 1.870 19544 3299 1 13 . 1 1 19 19 THR HA H 19 5.119 5.119 5.022 0.097 19544 3300 1 13 . 1 1 19 19 THR CA C 19 60.918 60.918 61.596 -0.678 19544 3301 1 13 . 1 1 19 19 THR CB C 19 71.715 71.715 72.373 -0.658 19544 3302 1 13 . 1 1 19 19 THR H H 19 8.953 8.953 8.574 0.379 19544 3303 1 13 . 1 1 20 20 ILE N N 20 123.406 123.406 122.277 1.129 19544 3304 1 13 . 1 1 20 20 ILE HA H 20 4.925 4.925 5.057 -0.132 19544 3305 1 13 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.217 -0.363 19544 3306 1 13 . 1 1 20 20 ILE CB C 20 40.376 40.376 41.769 -1.393 19544 3307 1 13 . 1 1 20 20 ILE H H 20 8.934 8.934 9.137 -0.203 19544 3308 1 13 . 1 1 21 21 THR N N 21 123.706 123.706 119.667 4.039 19544 3309 1 13 . 1 1 21 21 THR HA H 21 4.843 4.843 5.006 -0.163 19544 3310 1 13 . 1 1 21 21 THR CA C 21 61.530 61.530 61.774 -0.244 19544 3311 1 13 . 1 1 21 21 THR CB C 21 71.954 71.954 72.428 -0.474 19544 3312 1 13 . 1 1 21 21 THR H H 21 9.413 9.413 9.027 0.386 19544 3313 1 13 . 1 1 22 22 ILE N N 22 125.648 125.648 126.220 -0.572 19544 3314 1 13 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.576 -0.466 19544 3315 1 13 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.459 0.628 19544 3316 1 13 . 1 1 22 22 ILE CB C 22 33.926 33.926 38.504 -4.578 19544 3317 1 13 . 1 1 22 22 ILE H H 22 8.081 8.081 8.297 -0.216 19544 3318 1 13 . 1 1 23 23 LEU N N 23 129.374 129.374 128.945 0.429 19544 3319 1 13 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.331 0.198 19544 3320 1 13 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.337 -0.762 19544 3321 1 13 . 1 1 23 23 LEU CB C 23 42.685 42.685 42.029 0.656 19544 3322 1 13 . 1 1 23 23 LEU H H 23 8.819 8.819 8.373 0.446 19544 3323 1 13 . 1 1 24 24 GLY N N 24 104.611 104.611 103.816 0.795 19544 3324 1 13 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.713 1.192 19544 3325 1 13 . 1 1 24 24 GLY H H 24 7.537 7.537 7.544 -0.007 19544 3326 1 13 . 1 1 25 25 VAL N N 25 120.900 120.900 115.669 5.231 19544 3327 1 13 . 1 1 25 25 VAL HA H 25 4.654 4.654 5.187 -0.533 19544 3328 1 13 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.640 2.837 19544 3329 1 13 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.904 -0.163 19544 3330 1 13 . 1 1 25 25 VAL H H 25 8.454 8.454 8.318 0.136 19544 3331 1 13 . 1 1 26 26 SER N N 26 121.619 121.619 118.468 3.151 19544 3332 1 13 . 1 1 26 26 SER HA H 26 4.676 4.676 4.715 -0.039 19544 3333 1 13 . 1 1 26 26 SER CA C 26 56.360 56.360 58.075 -1.715 19544 3334 1 13 . 1 1 26 26 SER CB C 26 63.802 63.802 64.331 -0.529 19544 3335 1 13 . 1 1 26 26 SER H H 26 8.571 8.571 8.616 -0.045 19544 3336 1 13 . 1 1 27 27 GLY N N 27 118.284 118.284 115.797 2.487 19544 3337 1 13 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.759 0.656 19544 3338 1 13 . 1 1 27 27 GLY H H 27 9.023 9.023 8.651 0.372 19544 3339 1 13 . 1 1 28 28 GLN N N 28 124.398 124.398 123.362 1.036 19544 3340 1 13 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.501 -0.211 19544 3341 1 13 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.434 -0.222 19544 3342 1 13 . 1 1 28 28 GLN CB C 28 29.553 29.553 30.064 -0.511 19544 3343 1 13 . 1 1 28 28 GLN H H 28 8.776 8.776 8.573 0.203 19544 3344 1 13 . 1 1 29 29 GLN N N 29 117.501 117.501 120.812 -3.311 19544 3345 1 13 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.304 0.326 19544 3346 1 13 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.306 -1.012 19544 3347 1 13 . 1 1 29 29 GLN CB C 29 31.682 31.682 29.958 1.724 19544 3348 1 13 . 1 1 29 29 GLN H H 29 8.289 8.289 8.128 0.161 19544 3349 1 13 . 1 1 30 30 VAL N N 30 124.451 124.451 120.994 3.457 19544 3350 1 13 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.598 -0.020 19544 3351 1 13 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.357 -0.893 19544 3352 1 13 . 1 1 30 30 VAL CB C 30 34.413 34.413 33.708 0.705 19544 3353 1 13 . 1 1 30 30 VAL H H 30 9.174 9.174 8.355 0.819 19544 3354 1 13 . 1 1 31 31 ARG N N 31 128.251 128.251 127.791 0.460 19544 3355 1 13 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.550 0.087 19544 3356 1 13 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.598 -0.097 19544 3357 1 13 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.960 0.866 19544 3358 1 13 . 1 1 31 31 ARG H H 31 8.765 8.765 8.509 0.256 19544 3359 1 13 . 1 1 32 32 ILE N N 32 127.573 127.573 124.004 3.569 19544 3360 1 13 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.707 -0.047 19544 3361 1 13 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.694 -0.126 19544 3362 1 13 . 1 1 32 32 ILE CB C 32 41.055 41.055 41.040 0.015 19544 3363 1 13 . 1 1 32 32 ILE H H 32 8.949 8.949 8.437 0.512 19544 3364 1 13 . 1 1 33 33 GLY N N 33 112.581 112.581 113.662 -1.081 19544 3365 1 13 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.376 1.218 19544 3366 1 13 . 1 1 33 33 GLY H H 33 9.127 9.127 8.819 0.308 19544 3367 1 13 . 1 1 34 34 ILE N N 34 124.726 124.726 120.933 3.793 19544 3368 1 13 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.711 0.119 19544 3369 1 13 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.177 0.773 19544 3370 1 13 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.332 -1.028 19544 3371 1 13 . 1 1 34 34 ILE H H 34 9.599 9.599 8.350 1.249 19544 3372 1 13 . 1 1 35 35 ASN N N 35 129.529 129.529 124.172 5.357 19544 3373 1 13 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.976 0.119 19544 3374 1 13 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.410 -0.410 19544 3375 1 13 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.268 -0.120 19544 3376 1 13 . 1 1 35 35 ASN H H 35 9.035 9.035 8.822 0.213 19544 3377 1 13 . 1 1 36 36 ALA N N 36 125.575 125.575 127.427 -1.852 19544 3378 1 13 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.209 -0.149 19544 3379 1 13 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.379 -0.063 19544 3380 1 13 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.026 -1.128 19544 3381 1 13 . 1 1 36 36 ALA H H 36 8.231 8.231 8.116 0.115 19544 3382 1 13 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.523 -0.111 19544 3383 1 13 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.134 0.766 19544 3384 1 13 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.883 -0.558 19544 3385 1 13 . 1 1 38 38 LYS N N 38 121.064 121.064 121.689 -0.625 19544 3386 1 13 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.053 -0.260 19544 3387 1 13 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.687 1.111 19544 3388 1 13 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.702 0.141 19544 3389 1 13 . 1 1 38 38 LYS H H 38 8.555 8.555 8.465 0.090 19544 3390 1 13 . 1 1 39 39 ASP N N 39 113.867 113.867 118.661 -4.794 19544 3391 1 13 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.500 -0.146 19544 3392 1 13 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.832 -0.877 19544 3393 1 13 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.163 -1.451 19544 3394 1 13 . 1 1 39 39 ASP H H 39 8.159 8.159 8.161 -0.002 19544 3395 1 13 . 1 1 40 40 VAL N N 40 122.635 122.635 114.767 7.868 19544 3396 1 13 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.496 -0.526 19544 3397 1 13 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.713 2.093 19544 3398 1 13 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.372 -3.400 19544 3399 1 13 . 1 1 40 40 VAL H H 40 8.050 8.050 7.542 0.508 19544 3400 1 13 . 1 1 41 41 ALA N N 41 133.705 133.705 125.621 8.084 19544 3401 1 13 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.897 -0.442 19544 3402 1 13 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.005 1.139 19544 3403 1 13 . 1 1 41 41 ALA CB C 41 18.921 18.921 20.183 -1.262 19544 3404 1 13 . 1 1 41 41 ALA H H 41 8.917 8.917 8.318 0.599 19544 3405 1 13 . 1 1 42 42 VAL N N 42 125.251 125.251 120.010 5.241 19544 3406 1 13 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.274 0.125 19544 3407 1 13 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.336 -0.749 19544 3408 1 13 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.133 0.439 19544 3409 1 13 . 1 1 42 42 VAL H H 42 7.870 7.870 7.925 -0.055 19544 3410 1 13 . 1 1 43 43 HIS N N 43 118.702 118.702 123.584 -4.882 19544 3411 1 13 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.842 0.707 19544 3412 1 13 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.381 -1.638 19544 3413 1 13 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.895 5.889 19544 3414 1 13 . 1 1 43 43 HIS H H 43 8.605 8.605 8.371 0.234 19544 3415 1 13 . 1 1 44 44 ARG N N 44 121.777 121.777 121.577 0.200 19544 3416 1 13 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.339 -0.380 19544 3417 1 13 . 1 1 44 44 ARG CA C 44 58.185 58.185 56.092 2.093 19544 3418 1 13 . 1 1 44 44 ARG H H 44 8.395 8.395 8.696 -0.301 19544 3419 1 13 . 1 1 45 45 GLU N N 45 125.983 125.983 122.656 3.327 19544 3420 1 13 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.111 0.298 19544 3421 1 13 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.858 0.029 19544 3422 1 13 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.779 0.165 19544 3423 1 13 . 1 1 45 45 GLU H H 45 7.926 7.926 8.967 -1.041 19544 3424 1 13 . 1 1 46 46 GLU N N 46 118.177 118.177 116.967 1.210 19544 3425 1 13 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.217 0.034 19544 3426 1 13 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.360 0.213 19544 3427 1 13 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.195 -2.345 19544 3428 1 13 . 1 1 46 46 GLU H H 46 10.750 10.750 8.697 2.053 19544 3429 1 13 . 1 1 47 47 ILE N N 47 122.609 122.609 119.442 3.167 19544 3430 1 13 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.098 -0.358 19544 3431 1 13 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.823 -0.274 19544 3432 1 13 . 1 1 47 47 ILE CB C 47 34.717 34.717 38.391 -3.674 19544 3433 1 13 . 1 1 47 47 ILE H H 47 7.166 7.166 7.594 -0.428 19544 3434 1 13 . 1 1 48 48 TYR N N 48 122.090 122.090 121.950 0.140 19544 3435 1 13 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.934 -0.322 19544 3436 1 13 . 1 1 48 48 TYR CA C 48 62.310 62.310 60.969 1.341 19544 3437 1 13 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.023 1.024 19544 3438 1 13 . 1 1 48 48 TYR H H 48 8.113 8.113 8.651 -0.538 19544 3439 1 13 . 1 1 49 49 GLN N N 49 114.980 114.980 116.597 -1.617 19544 3440 1 13 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.690 0.154 19544 3441 1 13 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.789 0.776 19544 3442 1 13 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.494 -0.391 19544 3443 1 13 . 1 1 49 49 GLN H H 49 8.573 8.573 7.770 0.803 19544 3444 1 13 . 1 1 50 50 ARG N N 50 120.374 120.374 120.039 0.335 19544 3445 1 13 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.149 -0.185 19544 3446 1 13 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.633 0.520 19544 3447 1 13 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.674 -0.265 19544 3448 1 13 . 1 1 50 50 ARG H H 50 7.176 7.176 7.595 -0.419 19544 3449 1 13 . 1 1 51 51 ILE N N 51 120.770 120.770 119.086 1.684 19544 3450 1 13 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.770 -0.202 19544 3451 1 13 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.892 0.782 19544 3452 1 13 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.593 0.486 19544 3453 1 13 . 1 1 51 51 ILE H H 51 7.993 7.993 7.493 0.500 19544 3454 1 13 . 1 1 52 52 GLN N N 52 118.553 118.553 116.487 2.066 19544 3455 1 13 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.288 -0.501 19544 3456 1 13 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.680 1.773 19544 3457 1 13 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.671 -0.630 19544 3458 1 13 . 1 1 52 52 GLN H H 52 7.927 7.927 7.507 0.420 19544 3459 1 13 . 1 1 53 53 ALA N N 53 120.448 120.448 120.877 -0.429 19544 3460 1 13 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.603 -0.444 19544 3461 1 13 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.044 1.132 19544 3462 1 13 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.040 -2.621 19544 3463 1 13 . 1 1 53 53 ALA H H 53 7.600 7.600 7.576 0.024 19544 3464 1 13 . 1 1 54 54 GLY N N 54 105.491 105.491 108.069 -2.578 19544 3465 1 13 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.490 0.027 19544 3466 1 13 . 1 1 54 54 GLY H H 54 7.671 7.671 8.144 -0.473 19544 3467 1 13 . 1 1 55 55 LEU N N 55 120.780 120.780 117.955 2.825 19544 3468 1 13 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.765 -0.453 19544 3469 1 13 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.196 0.645 19544 3470 1 13 . 1 1 55 55 LEU CB C 55 42.133 42.133 43.185 -1.052 19544 3471 1 13 . 1 1 55 55 LEU H H 55 7.640 7.640 7.999 -0.359 19544 3472 1 13 . 1 1 56 56 THR N N 56 113.308 113.308 110.253 3.055 19544 3473 1 13 . 1 1 56 56 THR HA H 56 4.271 4.271 4.430 -0.159 19544 3474 1 13 . 1 1 56 56 THR CA C 56 61.302 61.302 61.461 -0.159 19544 3475 1 13 . 1 1 56 56 THR CB C 56 69.901 69.901 69.362 0.539 19544 3476 1 13 . 1 1 56 56 THR H H 56 7.788 7.788 8.089 -0.301 19544 3477 1 13 . 1 1 57 57 ALA N N 57 127.382 127.382 124.527 2.855 19544 3478 1 13 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.338 0.170 19544 3479 1 13 . 1 1 57 57 ALA CA C 57 50.519 50.519 52.536 -2.017 19544 3480 1 13 . 1 1 57 57 ALA CB C 57 18.234 18.234 17.268 0.966 19544 3481 1 13 . 1 1 57 57 ALA H H 57 8.072 8.072 8.057 0.015 19544 3482 1 13 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.443 -0.128 19544 3483 1 13 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.661 0.688 19544 3484 1 13 . 1 1 58 58 PRO CB C 58 31.892 31.892 31.975 -0.083 19544 3485 1 14 . 1 1 2 2 LEU N N 2 124.411 124.411 128.187 -3.776 19544 3486 1 14 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.817 -0.383 19544 3487 1 14 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.059 -0.783 19544 3488 1 14 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.972 -0.773 19544 3489 1 14 . 1 1 2 2 LEU H H 2 8.389 8.389 8.556 -0.167 19544 3490 1 14 . 1 1 3 3 ILE N N 3 130.539 130.539 124.236 6.303 19544 3491 1 14 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.184 0.743 19544 3492 1 14 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.377 -1.224 19544 3493 1 14 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.565 -0.731 19544 3494 1 14 . 1 1 3 3 ILE H H 3 10.459 10.459 8.370 2.089 19544 3495 1 14 . 1 1 4 4 LEU N N 4 123.187 123.187 125.294 -2.107 19544 3496 1 14 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.748 0.112 19544 3497 1 14 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.819 -1.365 19544 3498 1 14 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.108 1.492 19544 3499 1 14 . 1 1 4 4 LEU H H 4 8.600 8.600 8.208 0.392 19544 3500 1 14 . 1 1 5 5 THR N N 5 116.018 116.018 113.905 2.113 19544 3501 1 14 . 1 1 5 5 THR HA H 5 5.507 5.507 4.616 0.891 19544 3502 1 14 . 1 1 5 5 THR CA C 5 60.401 60.401 61.312 -0.911 19544 3503 1 14 . 1 1 5 5 THR CB C 5 69.984 69.984 69.873 0.111 19544 3504 1 14 . 1 1 5 5 THR H H 5 9.416 9.416 8.191 1.225 19544 3505 1 14 . 1 1 6 6 ARG N N 6 123.849 123.849 122.243 1.606 19544 3506 1 14 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.620 0.393 19544 3507 1 14 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.209 0.325 19544 3508 1 14 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.262 6.521 19544 3509 1 14 . 1 1 6 6 ARG H H 6 9.336 9.336 8.412 0.924 19544 3510 1 14 . 1 1 7 7 LYS N N 7 123.068 123.068 123.728 -0.660 19544 3511 1 14 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.410 0.689 19544 3512 1 14 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.440 -1.370 19544 3513 1 14 . 1 1 7 7 LYS CB C 7 34.344 34.344 33.270 1.074 19544 3514 1 14 . 1 1 7 7 LYS H H 7 9.381 9.381 8.474 0.907 19544 3515 1 14 . 1 1 8 8 VAL N N 8 118.072 118.072 119.866 -1.794 19544 3516 1 14 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.740 -0.436 19544 3517 1 14 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.292 2.536 19544 3518 1 14 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.772 0.800 19544 3519 1 14 . 1 1 8 8 VAL H H 8 7.682 7.682 8.207 -0.525 19544 3520 1 14 . 1 1 9 9 GLY N N 9 115.704 115.704 116.156 -0.452 19544 3521 1 14 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.872 -0.337 19544 3522 1 14 . 1 1 9 9 GLY H H 9 9.252 9.252 9.073 0.179 19544 3523 1 14 . 1 1 10 10 GLU N N 10 119.256 119.256 121.289 -2.033 19544 3524 1 14 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.728 0.159 19544 3525 1 14 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.876 0.882 19544 3526 1 14 . 1 1 10 10 GLU CB C 10 32.851 32.851 31.058 1.792 19544 3527 1 14 . 1 1 10 10 GLU H H 10 8.332 8.332 8.040 0.292 19544 3528 1 14 . 1 1 11 11 SER N N 11 112.505 112.505 112.823 -0.318 19544 3529 1 14 . 1 1 11 11 SER HA H 11 5.879 5.879 5.224 0.655 19544 3530 1 14 . 1 1 11 11 SER CA C 11 57.963 57.963 57.331 0.631 19544 3531 1 14 . 1 1 11 11 SER CB C 11 66.878 66.878 66.525 0.353 19544 3532 1 14 . 1 1 11 11 SER H H 11 8.661 8.661 8.311 0.350 19544 3533 1 14 . 1 1 12 12 ILE N N 12 124.635 124.635 120.345 4.290 19544 3534 1 14 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.498 -0.128 19544 3535 1 14 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.127 -0.188 19544 3536 1 14 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.987 -0.265 19544 3537 1 14 . 1 1 12 12 ILE H H 12 9.320 9.320 8.825 0.495 19544 3538 1 14 . 1 1 13 13 ASN N N 13 126.113 126.113 120.248 5.865 19544 3539 1 14 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.099 -0.110 19544 3540 1 14 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.570 0.857 19544 3541 1 14 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.864 -0.430 19544 3542 1 14 . 1 1 13 13 ASN H H 13 9.349 9.349 8.460 0.889 19544 3543 1 14 . 1 1 14 14 ILE N N 14 123.849 123.849 121.248 2.601 19544 3544 1 14 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.449 0.010 19544 3545 1 14 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.655 -0.089 19544 3546 1 14 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.628 -3.100 19544 3547 1 14 . 1 1 14 14 ILE H H 14 8.417 8.417 8.400 0.017 19544 3548 1 14 . 1 1 15 15 GLY N N 15 115.401 115.401 113.338 2.063 19544 3549 1 14 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.041 -0.105 19544 3550 1 14 . 1 1 15 15 GLY H H 15 9.100 9.100 8.619 0.481 19544 3551 1 14 . 1 1 16 16 ASP N N 16 120.669 120.669 122.660 -1.991 19544 3552 1 14 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.735 0.201 19544 3553 1 14 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.289 0.910 19544 3554 1 14 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.464 0.923 19544 3555 1 14 . 1 1 16 16 ASP H H 16 8.754 8.754 8.371 0.383 19544 3556 1 14 . 1 1 17 17 ASP N N 17 115.502 115.502 119.778 -4.276 19544 3557 1 14 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.841 -0.104 19544 3558 1 14 . 1 1 17 17 ASP CA C 17 54.077 54.077 54.073 0.004 19544 3559 1 14 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.837 -1.333 19544 3560 1 14 . 1 1 17 17 ASP H H 17 8.143 8.143 7.985 0.158 19544 3561 1 14 . 1 1 18 18 ILE N N 18 118.662 118.662 119.985 -1.323 19544 3562 1 14 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.076 0.145 19544 3563 1 14 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.325 -0.320 19544 3564 1 14 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.131 -2.481 19544 3565 1 14 . 1 1 18 18 ILE H H 18 7.177 7.177 7.633 -0.456 19544 3566 1 14 . 1 1 19 19 THR N N 19 122.983 122.983 120.917 2.066 19544 3567 1 14 . 1 1 19 19 THR HA H 19 5.119 5.119 5.024 0.095 19544 3568 1 14 . 1 1 19 19 THR CA C 19 60.918 60.918 61.566 -0.647 19544 3569 1 14 . 1 1 19 19 THR CB C 19 71.715 71.715 72.449 -0.734 19544 3570 1 14 . 1 1 19 19 THR H H 19 8.953 8.953 8.657 0.296 19544 3571 1 14 . 1 1 20 20 ILE N N 20 123.406 123.406 121.878 1.528 19544 3572 1 14 . 1 1 20 20 ILE HA H 20 4.925 4.925 4.975 -0.050 19544 3573 1 14 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.274 -0.420 19544 3574 1 14 . 1 1 20 20 ILE CB C 20 40.376 40.376 42.130 -1.754 19544 3575 1 14 . 1 1 20 20 ILE H H 20 8.934 8.934 9.107 -0.173 19544 3576 1 14 . 1 1 21 21 THR N N 21 123.706 123.706 120.710 2.996 19544 3577 1 14 . 1 1 21 21 THR HA H 21 4.843 4.843 4.918 -0.075 19544 3578 1 14 . 1 1 21 21 THR CA C 21 61.530 61.530 61.717 -0.187 19544 3579 1 14 . 1 1 21 21 THR CB C 21 71.954 71.954 71.626 0.328 19544 3580 1 14 . 1 1 21 21 THR H H 21 9.413 9.413 8.897 0.516 19544 3581 1 14 . 1 1 22 22 ILE N N 22 125.648 125.648 129.433 -3.785 19544 3582 1 14 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.235 -0.125 19544 3583 1 14 . 1 1 22 22 ILE CA C 22 59.087 59.087 59.306 -0.219 19544 3584 1 14 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.521 -3.595 19544 3585 1 14 . 1 1 22 22 ILE H H 22 8.081 8.081 8.333 -0.252 19544 3586 1 14 . 1 1 23 23 LEU N N 23 129.374 129.374 128.832 0.542 19544 3587 1 14 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.239 0.290 19544 3588 1 14 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.277 -0.703 19544 3589 1 14 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.950 0.735 19544 3590 1 14 . 1 1 23 23 LEU H H 23 8.819 8.819 8.236 0.583 19544 3591 1 14 . 1 1 24 24 GLY N N 24 104.611 104.611 103.613 0.998 19544 3592 1 14 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.779 1.126 19544 3593 1 14 . 1 1 24 24 GLY H H 24 7.537 7.537 7.575 -0.038 19544 3594 1 14 . 1 1 25 25 VAL N N 25 120.900 120.900 116.590 4.310 19544 3595 1 14 . 1 1 25 25 VAL HA H 25 4.654 4.654 5.109 -0.455 19544 3596 1 14 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.469 3.008 19544 3597 1 14 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.957 -0.217 19544 3598 1 14 . 1 1 25 25 VAL H H 25 8.454 8.454 8.321 0.133 19544 3599 1 14 . 1 1 26 26 SER N N 26 121.619 121.619 116.253 5.366 19544 3600 1 14 . 1 1 26 26 SER HA H 26 4.676 4.676 4.567 0.109 19544 3601 1 14 . 1 1 26 26 SER CA C 26 56.360 56.360 57.889 -1.529 19544 3602 1 14 . 1 1 26 26 SER CB C 26 63.802 63.802 64.380 -0.578 19544 3603 1 14 . 1 1 26 26 SER H H 26 8.571 8.571 8.642 -0.071 19544 3604 1 14 . 1 1 27 27 GLY N N 27 118.284 118.284 116.276 2.008 19544 3605 1 14 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.405 1.010 19544 3606 1 14 . 1 1 27 27 GLY H H 27 9.023 9.023 8.707 0.316 19544 3607 1 14 . 1 1 28 28 GLN N N 28 124.398 124.398 124.170 0.228 19544 3608 1 14 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.486 -0.196 19544 3609 1 14 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.472 -0.260 19544 3610 1 14 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.505 0.049 19544 3611 1 14 . 1 1 28 28 GLN H H 28 8.776 8.776 8.614 0.162 19544 3612 1 14 . 1 1 29 29 GLN N N 29 117.501 117.501 119.738 -2.237 19544 3613 1 14 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.348 0.282 19544 3614 1 14 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.775 -0.481 19544 3615 1 14 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.182 1.500 19544 3616 1 14 . 1 1 29 29 GLN H H 29 8.289 8.289 7.630 0.659 19544 3617 1 14 . 1 1 30 30 VAL N N 30 124.451 124.451 120.863 3.588 19544 3618 1 14 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.544 0.034 19544 3619 1 14 . 1 1 30 30 VAL CA C 30 60.464 60.464 60.956 -0.492 19544 3620 1 14 . 1 1 30 30 VAL CB C 30 34.413 34.413 34.313 0.100 19544 3621 1 14 . 1 1 30 30 VAL H H 30 9.174 9.174 8.347 0.827 19544 3622 1 14 . 1 1 31 31 ARG N N 31 128.251 128.251 127.940 0.311 19544 3623 1 14 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.508 0.129 19544 3624 1 14 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.625 -0.124 19544 3625 1 14 . 1 1 31 31 ARG CB C 31 31.826 31.826 31.084 0.742 19544 3626 1 14 . 1 1 31 31 ARG H H 31 8.765 8.765 8.402 0.363 19544 3627 1 14 . 1 1 32 32 ILE N N 32 127.573 127.573 124.674 2.899 19544 3628 1 14 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.631 0.029 19544 3629 1 14 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.997 -0.429 19544 3630 1 14 . 1 1 32 32 ILE CB C 32 41.055 41.055 40.022 1.033 19544 3631 1 14 . 1 1 32 32 ILE H H 32 8.949 8.949 8.495 0.454 19544 3632 1 14 . 1 1 33 33 GLY N N 33 112.581 112.581 115.321 -2.740 19544 3633 1 14 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.408 1.186 19544 3634 1 14 . 1 1 33 33 GLY H H 33 9.127 9.127 9.043 0.084 19544 3635 1 14 . 1 1 34 34 ILE N N 34 124.726 124.726 120.946 3.780 19544 3636 1 14 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.659 0.171 19544 3637 1 14 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.176 0.774 19544 3638 1 14 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.227 -0.923 19544 3639 1 14 . 1 1 34 34 ILE H H 34 9.599 9.599 8.296 1.303 19544 3640 1 14 . 1 1 35 35 ASN N N 35 129.529 129.529 124.082 5.447 19544 3641 1 14 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.971 0.124 19544 3642 1 14 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.427 -0.427 19544 3643 1 14 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.361 -0.213 19544 3644 1 14 . 1 1 35 35 ASN H H 35 9.035 9.035 8.837 0.198 19544 3645 1 14 . 1 1 36 36 ALA N N 36 125.575 125.575 127.799 -2.224 19544 3646 1 14 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.237 -0.177 19544 3647 1 14 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.129 0.187 19544 3648 1 14 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.278 -1.380 19544 3649 1 14 . 1 1 36 36 ALA H H 36 8.231 8.231 8.170 0.061 19544 3650 1 14 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.648 -0.236 19544 3651 1 14 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.137 0.763 19544 3652 1 14 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.771 -0.446 19544 3653 1 14 . 1 1 38 38 LYS N N 38 121.064 121.064 119.938 1.126 19544 3654 1 14 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.060 -0.267 19544 3655 1 14 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.535 1.263 19544 3656 1 14 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.892 -0.049 19544 3657 1 14 . 1 1 38 38 LYS H H 38 8.555 8.555 8.622 -0.067 19544 3658 1 14 . 1 1 39 39 ASP N N 39 113.867 113.867 118.342 -4.475 19544 3659 1 14 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.531 -0.177 19544 3660 1 14 . 1 1 39 39 ASP CA C 39 53.955 53.955 55.244 -1.289 19544 3661 1 14 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.141 -1.429 19544 3662 1 14 . 1 1 39 39 ASP H H 39 8.159 8.159 8.175 -0.016 19544 3663 1 14 . 1 1 40 40 VAL N N 40 122.635 122.635 114.428 8.207 19544 3664 1 14 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.455 -0.485 19544 3665 1 14 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.743 2.063 19544 3666 1 14 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.421 -3.449 19544 3667 1 14 . 1 1 40 40 VAL H H 40 8.050 8.050 7.522 0.528 19544 3668 1 14 . 1 1 41 41 ALA N N 41 133.705 133.705 124.743 8.962 19544 3669 1 14 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.613 -0.158 19544 3670 1 14 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.352 0.792 19544 3671 1 14 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.637 -0.716 19544 3672 1 14 . 1 1 41 41 ALA H H 41 8.917 8.917 8.236 0.681 19544 3673 1 14 . 1 1 42 42 VAL N N 42 125.251 125.251 120.463 4.788 19544 3674 1 14 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.219 0.180 19544 3675 1 14 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.679 -1.092 19544 3676 1 14 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.272 0.300 19544 3677 1 14 . 1 1 42 42 VAL H H 42 7.870 7.870 7.820 0.050 19544 3678 1 14 . 1 1 43 43 HIS N N 43 118.702 118.702 124.068 -5.366 19544 3679 1 14 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.943 0.606 19544 3680 1 14 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.346 -1.603 19544 3681 1 14 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.832 5.952 19544 3682 1 14 . 1 1 43 43 HIS H H 43 8.605 8.605 8.251 0.354 19544 3683 1 14 . 1 1 44 44 ARG N N 44 121.777 121.777 121.396 0.381 19544 3684 1 14 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.365 -0.406 19544 3685 1 14 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.963 2.222 19544 3686 1 14 . 1 1 44 44 ARG H H 44 8.395 8.395 8.707 -0.312 19544 3687 1 14 . 1 1 45 45 GLU N N 45 125.983 125.983 122.289 3.694 19544 3688 1 14 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.139 0.270 19544 3689 1 14 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.648 0.240 19544 3690 1 14 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.776 0.168 19544 3691 1 14 . 1 1 45 45 GLU H H 45 7.926 7.926 8.956 -1.030 19544 3692 1 14 . 1 1 46 46 GLU N N 46 118.177 118.177 115.335 2.842 19544 3693 1 14 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.249 0.002 19544 3694 1 14 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.182 0.391 19544 3695 1 14 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.063 -2.213 19544 3696 1 14 . 1 1 46 46 GLU H H 46 10.750 10.750 8.638 2.112 19544 3697 1 14 . 1 1 47 47 ILE N N 47 122.609 122.609 118.539 4.070 19544 3698 1 14 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.223 -0.483 19544 3699 1 14 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.558 -0.009 19544 3700 1 14 . 1 1 47 47 ILE CB C 47 34.717 34.717 39.258 -4.542 19544 3701 1 14 . 1 1 47 47 ILE H H 47 7.166 7.166 7.628 -0.462 19544 3702 1 14 . 1 1 48 48 TYR N N 48 122.090 122.090 122.790 -0.700 19544 3703 1 14 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.989 -0.377 19544 3704 1 14 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.265 1.045 19544 3705 1 14 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.034 1.013 19544 3706 1 14 . 1 1 48 48 TYR H H 48 8.113 8.113 8.826 -0.713 19544 3707 1 14 . 1 1 49 49 GLN N N 49 114.980 114.980 116.658 -1.678 19544 3708 1 14 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.734 0.110 19544 3709 1 14 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.852 0.712 19544 3710 1 14 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.521 -0.418 19544 3711 1 14 . 1 1 49 49 GLN H H 49 8.573 8.573 7.914 0.659 19544 3712 1 14 . 1 1 50 50 ARG N N 50 120.374 120.374 119.941 0.433 19544 3713 1 14 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.170 -0.206 19544 3714 1 14 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.564 0.589 19544 3715 1 14 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.772 -0.363 19544 3716 1 14 . 1 1 50 50 ARG H H 50 7.176 7.176 7.681 -0.505 19544 3717 1 14 . 1 1 51 51 ILE N N 51 120.770 120.770 119.272 1.498 19544 3718 1 14 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.755 -0.187 19544 3719 1 14 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.894 0.780 19544 3720 1 14 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.577 0.502 19544 3721 1 14 . 1 1 51 51 ILE H H 51 7.993 7.993 7.485 0.508 19544 3722 1 14 . 1 1 52 52 GLN N N 52 118.553 118.553 116.493 2.060 19544 3723 1 14 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.272 -0.485 19544 3724 1 14 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.695 1.758 19544 3725 1 14 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.568 -0.528 19544 3726 1 14 . 1 1 52 52 GLN H H 52 7.927 7.927 7.484 0.443 19544 3727 1 14 . 1 1 53 53 ALA N N 53 120.448 120.448 120.905 -0.457 19544 3728 1 14 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.607 -0.448 19544 3729 1 14 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.057 1.119 19544 3730 1 14 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.051 -2.632 19544 3731 1 14 . 1 1 53 53 ALA H H 53 7.600 7.600 7.619 -0.019 19544 3732 1 14 . 1 1 54 54 GLY N N 54 105.491 105.491 107.894 -2.403 19544 3733 1 14 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.340 0.176 19544 3734 1 14 . 1 1 54 54 GLY H H 54 7.671 7.671 8.350 -0.679 19544 3735 1 14 . 1 1 55 55 LEU N N 55 120.780 120.780 117.336 3.444 19544 3736 1 14 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.894 -0.582 19544 3737 1 14 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.446 0.394 19544 3738 1 14 . 1 1 55 55 LEU CB C 55 42.133 42.133 43.510 -1.377 19544 3739 1 14 . 1 1 55 55 LEU H H 55 7.640 7.640 8.062 -0.422 19544 3740 1 14 . 1 1 56 56 THR N N 56 113.308 113.308 110.166 3.142 19544 3741 1 14 . 1 1 56 56 THR HA H 56 4.271 4.271 4.503 -0.232 19544 3742 1 14 . 1 1 56 56 THR CA C 56 61.302 61.302 61.777 -0.475 19544 3743 1 14 . 1 1 56 56 THR CB C 56 69.901 69.901 69.812 0.089 19544 3744 1 14 . 1 1 56 56 THR H H 56 7.788 7.788 8.062 -0.274 19544 3745 1 14 . 1 1 57 57 ALA N N 57 127.382 127.382 125.118 2.264 19544 3746 1 14 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.322 0.186 19544 3747 1 14 . 1 1 57 57 ALA CA C 57 50.519 50.519 52.756 -2.237 19544 3748 1 14 . 1 1 57 57 ALA CB C 57 18.234 18.234 17.249 0.985 19544 3749 1 14 . 1 1 57 57 ALA H H 57 8.072 8.072 8.082 -0.010 19544 3750 1 14 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.415 -0.100 19544 3751 1 14 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.582 0.767 19544 3752 1 14 . 1 1 58 58 PRO CB C 58 31.892 31.892 31.929 -0.037 19544 3753 1 15 . 1 1 2 2 LEU N N 2 124.411 124.411 128.178 -3.767 19544 3754 1 15 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.820 -0.386 19544 3755 1 15 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.038 -0.762 19544 3756 1 15 . 1 1 2 2 LEU CB C 2 42.199 42.199 43.016 -0.817 19544 3757 1 15 . 1 1 2 2 LEU H H 2 8.389 8.389 8.560 -0.171 19544 3758 1 15 . 1 1 3 3 ILE N N 3 130.539 130.539 124.151 6.388 19544 3759 1 15 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.193 0.734 19544 3760 1 15 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.389 -1.235 19544 3761 1 15 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.590 -0.756 19544 3762 1 15 . 1 1 3 3 ILE H H 3 10.459 10.459 8.366 2.093 19544 3763 1 15 . 1 1 4 4 LEU N N 4 123.187 123.187 126.985 -3.798 19544 3764 1 15 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.662 0.198 19544 3765 1 15 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.732 -1.278 19544 3766 1 15 . 1 1 4 4 LEU CB C 4 46.599 46.599 44.940 1.659 19544 3767 1 15 . 1 1 4 4 LEU H H 4 8.600 8.600 8.191 0.409 19544 3768 1 15 . 1 1 5 5 THR N N 5 116.018 116.018 115.424 0.594 19544 3769 1 15 . 1 1 5 5 THR HA H 5 5.507 5.507 4.592 0.915 19544 3770 1 15 . 1 1 5 5 THR CA C 5 60.401 60.401 61.664 -1.263 19544 3771 1 15 . 1 1 5 5 THR CB C 5 69.984 69.984 69.516 0.468 19544 3772 1 15 . 1 1 5 5 THR H H 5 9.416 9.416 8.162 1.254 19544 3773 1 15 . 1 1 6 6 ARG N N 6 123.849 123.849 123.370 0.479 19544 3774 1 15 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.450 0.563 19544 3775 1 15 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.572 -0.038 19544 3776 1 15 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.935 5.848 19544 3777 1 15 . 1 1 6 6 ARG H H 6 9.336 9.336 8.298 1.038 19544 3778 1 15 . 1 1 7 7 LYS N N 7 123.068 123.068 125.154 -2.086 19544 3779 1 15 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.527 0.572 19544 3780 1 15 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.119 -1.049 19544 3781 1 15 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.476 -0.132 19544 3782 1 15 . 1 1 7 7 LYS H H 7 9.381 9.381 8.957 0.424 19544 3783 1 15 . 1 1 8 8 VAL N N 8 118.072 118.072 120.181 -2.109 19544 3784 1 15 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.961 -0.657 19544 3785 1 15 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.030 2.798 19544 3786 1 15 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.482 0.090 19544 3787 1 15 . 1 1 8 8 VAL H H 8 7.682 7.682 8.345 -0.663 19544 3788 1 15 . 1 1 9 9 GLY N N 9 115.704 115.704 114.374 1.330 19544 3789 1 15 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.788 -0.253 19544 3790 1 15 . 1 1 9 9 GLY H H 9 9.252 9.252 9.180 0.072 19544 3791 1 15 . 1 1 10 10 GLU N N 10 119.256 119.256 120.003 -0.747 19544 3792 1 15 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.778 0.109 19544 3793 1 15 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.459 1.299 19544 3794 1 15 . 1 1 10 10 GLU CB C 10 32.851 32.851 32.470 0.381 19544 3795 1 15 . 1 1 10 10 GLU H H 10 8.332 8.332 7.845 0.487 19544 3796 1 15 . 1 1 11 11 SER N N 11 112.505 112.505 112.957 -0.452 19544 3797 1 15 . 1 1 11 11 SER HA H 11 5.879 5.879 5.233 0.646 19544 3798 1 15 . 1 1 11 11 SER CA C 11 57.963 57.963 57.134 0.829 19544 3799 1 15 . 1 1 11 11 SER CB C 11 66.878 66.878 66.151 0.727 19544 3800 1 15 . 1 1 11 11 SER H H 11 8.661 8.661 8.306 0.355 19544 3801 1 15 . 1 1 12 12 ILE N N 12 124.635 124.635 119.151 5.484 19544 3802 1 15 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.473 -0.103 19544 3803 1 15 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.080 -0.141 19544 3804 1 15 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.954 -0.232 19544 3805 1 15 . 1 1 12 12 ILE H H 12 9.320 9.320 8.782 0.538 19544 3806 1 15 . 1 1 13 13 ASN N N 13 126.113 126.113 120.930 5.183 19544 3807 1 15 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.031 -0.042 19544 3808 1 15 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.005 1.422 19544 3809 1 15 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.393 0.041 19544 3810 1 15 . 1 1 13 13 ASN H H 13 9.349 9.349 8.396 0.953 19544 3811 1 15 . 1 1 14 14 ILE N N 14 123.849 123.849 122.194 1.655 19544 3812 1 15 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.402 0.057 19544 3813 1 15 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.799 -0.233 19544 3814 1 15 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.699 -3.171 19544 3815 1 15 . 1 1 14 14 ILE H H 14 8.417 8.417 8.405 0.012 19544 3816 1 15 . 1 1 15 15 GLY N N 15 115.401 115.401 113.030 2.371 19544 3817 1 15 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.421 -0.485 19544 3818 1 15 . 1 1 15 15 GLY H H 15 9.100 9.100 8.568 0.532 19544 3819 1 15 . 1 1 16 16 ASP N N 16 120.669 120.669 121.778 -1.109 19544 3820 1 15 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.730 0.206 19544 3821 1 15 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.344 0.855 19544 3822 1 15 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.680 0.706 19544 3823 1 15 . 1 1 16 16 ASP H H 16 8.754 8.754 8.315 0.439 19544 3824 1 15 . 1 1 17 17 ASP N N 17 115.502 115.502 118.927 -3.425 19544 3825 1 15 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.773 -0.036 19544 3826 1 15 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.943 0.134 19544 3827 1 15 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.704 -1.200 19544 3828 1 15 . 1 1 17 17 ASP H H 17 8.143 8.143 7.944 0.199 19544 3829 1 15 . 1 1 18 18 ILE N N 18 118.662 118.662 119.855 -1.193 19544 3830 1 15 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.034 0.187 19544 3831 1 15 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.279 -0.274 19544 3832 1 15 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.254 -2.604 19544 3833 1 15 . 1 1 18 18 ILE H H 18 7.177 7.177 7.692 -0.515 19544 3834 1 15 . 1 1 19 19 THR N N 19 122.983 122.983 120.285 2.698 19544 3835 1 15 . 1 1 19 19 THR HA H 19 5.119 5.119 4.902 0.217 19544 3836 1 15 . 1 1 19 19 THR CA C 19 60.918 60.918 61.404 -0.486 19544 3837 1 15 . 1 1 19 19 THR CB C 19 71.715 71.715 72.122 -0.407 19544 3838 1 15 . 1 1 19 19 THR H H 19 8.953 8.953 8.611 0.342 19544 3839 1 15 . 1 1 20 20 ILE N N 20 123.406 123.406 121.746 1.660 19544 3840 1 15 . 1 1 20 20 ILE HA H 20 4.925 4.925 5.091 -0.166 19544 3841 1 15 . 1 1 20 20 ILE CA C 20 58.854 58.854 58.987 -0.133 19544 3842 1 15 . 1 1 20 20 ILE CB C 20 40.376 40.376 41.779 -1.403 19544 3843 1 15 . 1 1 20 20 ILE H H 20 8.934 8.934 9.068 -0.134 19544 3844 1 15 . 1 1 21 21 THR N N 21 123.706 123.706 119.775 3.931 19544 3845 1 15 . 1 1 21 21 THR HA H 21 4.843 4.843 4.934 -0.091 19544 3846 1 15 . 1 1 21 21 THR CA C 21 61.530 61.530 61.759 -0.229 19544 3847 1 15 . 1 1 21 21 THR CB C 21 71.954 71.954 72.260 -0.306 19544 3848 1 15 . 1 1 21 21 THR H H 21 9.413 9.413 9.022 0.391 19544 3849 1 15 . 1 1 22 22 ILE N N 22 125.648 125.648 126.410 -0.762 19544 3850 1 15 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.588 -0.478 19544 3851 1 15 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.348 0.739 19544 3852 1 15 . 1 1 22 22 ILE CB C 22 33.926 33.926 38.219 -4.293 19544 3853 1 15 . 1 1 22 22 ILE H H 22 8.081 8.081 8.348 -0.267 19544 3854 1 15 . 1 1 23 23 LEU N N 23 129.374 129.374 128.384 0.990 19544 3855 1 15 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.287 0.242 19544 3856 1 15 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.394 -0.820 19544 3857 1 15 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.916 0.769 19544 3858 1 15 . 1 1 23 23 LEU H H 23 8.819 8.819 8.235 0.584 19544 3859 1 15 . 1 1 24 24 GLY N N 24 104.611 104.611 103.580 1.031 19544 3860 1 15 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.782 1.123 19544 3861 1 15 . 1 1 24 24 GLY H H 24 7.537 7.537 7.574 -0.037 19544 3862 1 15 . 1 1 25 25 VAL N N 25 120.900 120.900 116.122 4.778 19544 3863 1 15 . 1 1 25 25 VAL HA H 25 4.654 4.654 5.050 -0.396 19544 3864 1 15 . 1 1 25 25 VAL CA C 25 61.477 61.477 59.325 2.152 19544 3865 1 15 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.809 -0.069 19544 3866 1 15 . 1 1 25 25 VAL H H 25 8.454 8.454 8.260 0.194 19544 3867 1 15 . 1 1 26 26 SER N N 26 121.619 121.619 119.248 2.371 19544 3868 1 15 . 1 1 26 26 SER HA H 26 4.676 4.676 4.704 -0.028 19544 3869 1 15 . 1 1 26 26 SER CA C 26 56.360 56.360 58.169 -1.809 19544 3870 1 15 . 1 1 26 26 SER CB C 26 63.802 63.802 63.889 -0.087 19544 3871 1 15 . 1 1 26 26 SER H H 26 8.571 8.571 8.760 -0.189 19544 3872 1 15 . 1 1 27 27 GLY N N 27 118.284 118.284 114.201 4.083 19544 3873 1 15 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.792 0.623 19544 3874 1 15 . 1 1 27 27 GLY H H 27 9.023 9.023 8.643 0.380 19544 3875 1 15 . 1 1 28 28 GLN N N 28 124.398 124.398 124.271 0.127 19544 3876 1 15 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.459 -0.169 19544 3877 1 15 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.597 -0.385 19544 3878 1 15 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.358 0.195 19544 3879 1 15 . 1 1 28 28 GLN H H 28 8.776 8.776 8.623 0.153 19544 3880 1 15 . 1 1 29 29 GLN N N 29 117.501 117.501 120.122 -2.621 19544 3881 1 15 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.346 0.284 19544 3882 1 15 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.891 -0.597 19544 3883 1 15 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.024 1.658 19544 3884 1 15 . 1 1 29 29 GLN H H 29 8.289 8.289 7.581 0.708 19544 3885 1 15 . 1 1 30 30 VAL N N 30 124.451 124.451 121.433 3.018 19544 3886 1 15 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.520 0.058 19544 3887 1 15 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.468 -1.004 19544 3888 1 15 . 1 1 30 30 VAL CB C 30 34.413 34.413 33.933 0.480 19544 3889 1 15 . 1 1 30 30 VAL H H 30 9.174 9.174 8.403 0.771 19544 3890 1 15 . 1 1 31 31 ARG N N 31 128.251 128.251 127.833 0.418 19544 3891 1 15 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.607 0.030 19544 3892 1 15 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.508 -0.007 19544 3893 1 15 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.965 0.861 19544 3894 1 15 . 1 1 31 31 ARG H H 31 8.765 8.765 8.449 0.316 19544 3895 1 15 . 1 1 32 32 ILE N N 32 127.573 127.573 124.091 3.482 19544 3896 1 15 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.744 -0.084 19544 3897 1 15 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.645 -0.077 19544 3898 1 15 . 1 1 32 32 ILE CB C 32 41.055 41.055 41.050 0.005 19544 3899 1 15 . 1 1 32 32 ILE H H 32 8.949 8.949 8.441 0.508 19544 3900 1 15 . 1 1 33 33 GLY N N 33 112.581 112.581 113.397 -0.816 19544 3901 1 15 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.313 1.281 19544 3902 1 15 . 1 1 33 33 GLY H H 33 9.127 9.127 8.798 0.329 19544 3903 1 15 . 1 1 34 34 ILE N N 34 124.726 124.726 120.544 4.182 19544 3904 1 15 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.761 0.069 19544 3905 1 15 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.154 0.796 19544 3906 1 15 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.406 -1.102 19544 3907 1 15 . 1 1 34 34 ILE H H 34 9.599 9.599 8.335 1.264 19544 3908 1 15 . 1 1 35 35 ASN N N 35 129.529 129.529 123.983 5.546 19544 3909 1 15 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.969 0.126 19544 3910 1 15 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.428 -0.428 19544 3911 1 15 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.348 -0.200 19544 3912 1 15 . 1 1 35 35 ASN H H 35 9.035 9.035 8.858 0.177 19544 3913 1 15 . 1 1 36 36 ALA N N 36 125.575 125.575 127.373 -1.798 19544 3914 1 15 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.202 -0.142 19544 3915 1 15 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.372 -0.056 19544 3916 1 15 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.066 -1.168 19544 3917 1 15 . 1 1 36 36 ALA H H 36 8.231 8.231 8.119 0.112 19544 3918 1 15 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.529 -0.117 19544 3919 1 15 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.113 0.787 19544 3920 1 15 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.928 -0.603 19544 3921 1 15 . 1 1 38 38 LYS N N 38 121.064 121.064 121.601 -0.537 19544 3922 1 15 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.093 -0.300 19544 3923 1 15 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.669 1.129 19544 3924 1 15 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.689 0.154 19544 3925 1 15 . 1 1 38 38 LYS H H 38 8.555 8.555 8.565 -0.010 19544 3926 1 15 . 1 1 39 39 ASP N N 39 113.867 113.867 118.836 -4.969 19544 3927 1 15 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.477 -0.123 19544 3928 1 15 . 1 1 39 39 ASP CA C 39 53.955 53.955 55.201 -1.246 19544 3929 1 15 . 1 1 39 39 ASP CB C 39 39.712 39.712 40.987 -1.275 19544 3930 1 15 . 1 1 39 39 ASP H H 39 8.159 8.159 8.369 -0.210 19544 3931 1 15 . 1 1 40 40 VAL N N 40 122.635 122.635 114.644 7.991 19544 3932 1 15 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.431 -0.461 19544 3933 1 15 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.808 1.998 19544 3934 1 15 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.171 -3.199 19544 3935 1 15 . 1 1 40 40 VAL H H 40 8.050 8.050 7.515 0.535 19544 3936 1 15 . 1 1 41 41 ALA N N 41 133.705 133.705 126.143 7.562 19544 3937 1 15 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.838 -0.383 19544 3938 1 15 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.149 0.995 19544 3939 1 15 . 1 1 41 41 ALA CB C 41 18.921 18.921 20.013 -1.092 19544 3940 1 15 . 1 1 41 41 ALA H H 41 8.917 8.917 8.253 0.664 19544 3941 1 15 . 1 1 42 42 VAL N N 42 125.251 125.251 120.556 4.695 19544 3942 1 15 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.246 0.153 19544 3943 1 15 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.468 -0.881 19544 3944 1 15 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.182 0.390 19544 3945 1 15 . 1 1 42 42 VAL H H 42 7.870 7.870 7.865 0.005 19544 3946 1 15 . 1 1 43 43 HIS N N 43 118.702 118.702 124.020 -5.318 19544 3947 1 15 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.855 0.694 19544 3948 1 15 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.254 -1.511 19544 3949 1 15 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.869 5.915 19544 3950 1 15 . 1 1 43 43 HIS H H 43 8.605 8.605 8.272 0.333 19544 3951 1 15 . 1 1 44 44 ARG N N 44 121.777 121.777 121.528 0.249 19544 3952 1 15 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.338 -0.379 19544 3953 1 15 . 1 1 44 44 ARG CA C 44 58.185 58.185 56.120 2.065 19544 3954 1 15 . 1 1 44 44 ARG H H 44 8.395 8.395 8.712 -0.317 19544 3955 1 15 . 1 1 45 45 GLU N N 45 125.983 125.983 122.433 3.550 19544 3956 1 15 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.127 0.282 19544 3957 1 15 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.785 0.102 19544 3958 1 15 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.846 0.098 19544 3959 1 15 . 1 1 45 45 GLU H H 45 7.926 7.926 8.924 -0.998 19544 3960 1 15 . 1 1 46 46 GLU N N 46 118.177 118.177 119.703 -1.526 19544 3961 1 15 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.195 0.056 19544 3962 1 15 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.865 -0.292 19544 3963 1 15 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.004 -2.154 19544 3964 1 15 . 1 1 46 46 GLU H H 46 10.750 10.750 8.570 2.180 19544 3965 1 15 . 1 1 47 47 ILE N N 47 122.609 122.609 118.435 4.174 19544 3966 1 15 . 1 1 47 47 ILE HA H 47 3.740 3.740 3.839 -0.099 19544 3967 1 15 . 1 1 47 47 ILE CA C 47 60.549 60.549 62.074 -1.525 19544 3968 1 15 . 1 1 47 47 ILE CB C 47 34.717 34.717 37.267 -2.550 19544 3969 1 15 . 1 1 47 47 ILE H H 47 7.166 7.166 7.772 -0.606 19544 3970 1 15 . 1 1 48 48 TYR N N 48 122.090 122.090 121.209 0.881 19544 3971 1 15 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.893 -0.281 19544 3972 1 15 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.014 1.296 19544 3973 1 15 . 1 1 48 48 TYR CB C 48 39.047 39.047 37.900 1.147 19544 3974 1 15 . 1 1 48 48 TYR H H 48 8.113 8.113 8.606 -0.493 19544 3975 1 15 . 1 1 49 49 GLN N N 49 114.980 114.980 115.295 -0.315 19544 3976 1 15 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.665 0.179 19544 3977 1 15 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.519 1.046 19544 3978 1 15 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.169 -0.066 19544 3979 1 15 . 1 1 49 49 GLN H H 49 8.573 8.573 8.097 0.476 19544 3980 1 15 . 1 1 50 50 ARG N N 50 120.374 120.374 119.089 1.285 19544 3981 1 15 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.208 -0.244 19544 3982 1 15 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.125 1.028 19544 3983 1 15 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.760 -0.351 19544 3984 1 15 . 1 1 50 50 ARG H H 50 7.176 7.176 7.606 -0.430 19544 3985 1 15 . 1 1 51 51 ILE N N 51 120.770 120.770 119.889 0.881 19544 3986 1 15 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.765 -0.197 19544 3987 1 15 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.759 0.915 19544 3988 1 15 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.728 0.351 19544 3989 1 15 . 1 1 51 51 ILE H H 51 7.993 7.993 7.623 0.370 19544 3990 1 15 . 1 1 52 52 GLN N N 52 118.553 118.553 116.537 2.016 19544 3991 1 15 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.310 -0.523 19544 3992 1 15 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.311 2.142 19544 3993 1 15 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.718 -0.677 19544 3994 1 15 . 1 1 52 52 GLN H H 52 7.927 7.927 7.561 0.366 19544 3995 1 15 . 1 1 53 53 ALA N N 53 120.448 120.448 120.637 -0.189 19544 3996 1 15 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.540 -0.381 19544 3997 1 15 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.113 1.063 19544 3998 1 15 . 1 1 53 53 ALA CB C 53 18.419 18.419 20.140 -1.721 19544 3999 1 15 . 1 1 53 53 ALA H H 53 7.600 7.600 7.525 0.075 19544 4000 1 15 . 1 1 54 54 GLY N N 54 105.491 105.491 106.611 -1.120 19544 4001 1 15 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.818 0.699 19544 4002 1 15 . 1 1 54 54 GLY H H 54 7.671 7.671 7.927 -0.256 19544 4003 1 15 . 1 1 55 55 LEU N N 55 120.780 120.780 118.501 2.279 19544 4004 1 15 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.018 0.294 19544 4005 1 15 . 1 1 55 55 LEU CA C 55 54.840 54.840 55.814 -0.974 19544 4006 1 15 . 1 1 55 55 LEU CB C 55 42.133 42.133 40.694 1.440 19544 4007 1 15 . 1 1 55 55 LEU H H 55 7.640 7.640 7.709 -0.069 19544 4008 1 15 . 1 1 56 56 THR N N 56 113.308 113.308 111.626 1.682 19544 4009 1 15 . 1 1 56 56 THR HA H 56 4.271 4.271 4.367 -0.096 19544 4010 1 15 . 1 1 56 56 THR CA C 56 61.302 61.302 62.280 -0.978 19544 4011 1 15 . 1 1 56 56 THR CB C 56 69.901 69.901 70.151 -0.250 19544 4012 1 15 . 1 1 56 56 THR H H 56 7.788 7.788 8.133 -0.345 19544 4013 1 15 . 1 1 57 57 ALA N N 57 127.382 127.382 124.149 3.233 19544 4014 1 15 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.629 -0.121 19544 4015 1 15 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.123 -0.604 19544 4016 1 15 . 1 1 57 57 ALA CB C 57 18.234 18.234 18.987 -0.753 19544 4017 1 15 . 1 1 57 57 ALA H H 57 8.072 8.072 7.782 0.290 19544 4018 1 15 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.249 0.066 19544 4019 1 15 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.675 -1.326 19544 4020 1 15 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.085 -0.193 19544 4021 1 16 . 1 1 2 2 LEU N N 2 124.411 124.411 128.385 -3.974 19544 4022 1 16 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.820 -0.386 19544 4023 1 16 . 1 1 2 2 LEU CA C 2 54.276 54.276 54.947 -0.671 19544 4024 1 16 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.756 -0.557 19544 4025 1 16 . 1 1 2 2 LEU H H 2 8.389 8.389 8.568 -0.179 19544 4026 1 16 . 1 1 3 3 ILE N N 3 130.539 130.539 124.518 6.021 19544 4027 1 16 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.157 0.770 19544 4028 1 16 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.443 -1.289 19544 4029 1 16 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.558 -0.724 19544 4030 1 16 . 1 1 3 3 ILE H H 3 10.459 10.459 8.388 2.071 19544 4031 1 16 . 1 1 4 4 LEU N N 4 123.187 123.187 125.215 -2.028 19544 4032 1 16 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.745 0.115 19544 4033 1 16 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.803 -1.349 19544 4034 1 16 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.034 1.565 19544 4035 1 16 . 1 1 4 4 LEU H H 4 8.600 8.600 8.158 0.442 19544 4036 1 16 . 1 1 5 5 THR N N 5 116.018 116.018 113.695 2.323 19544 4037 1 16 . 1 1 5 5 THR HA H 5 5.507 5.507 4.657 0.850 19544 4038 1 16 . 1 1 5 5 THR CA C 5 60.401 60.401 61.333 -0.932 19544 4039 1 16 . 1 1 5 5 THR CB C 5 69.984 69.984 69.860 0.124 19544 4040 1 16 . 1 1 5 5 THR H H 5 9.416 9.416 8.200 1.216 19544 4041 1 16 . 1 1 6 6 ARG N N 6 123.849 123.849 122.907 0.942 19544 4042 1 16 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.503 0.510 19544 4043 1 16 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.632 -0.098 19544 4044 1 16 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.571 6.212 19544 4045 1 16 . 1 1 6 6 ARG H H 6 9.336 9.336 8.450 0.886 19544 4046 1 16 . 1 1 7 7 LYS N N 7 123.068 123.068 124.753 -1.685 19544 4047 1 16 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.526 0.573 19544 4048 1 16 . 1 1 7 7 LYS CA C 7 54.070 54.070 54.996 -0.926 19544 4049 1 16 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.479 -0.135 19544 4050 1 16 . 1 1 7 7 LYS H H 7 9.381 9.381 9.106 0.275 19544 4051 1 16 . 1 1 8 8 VAL N N 8 118.072 118.072 120.491 -2.419 19544 4052 1 16 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.924 -0.620 19544 4053 1 16 . 1 1 8 8 VAL CA C 8 65.828 65.828 62.645 3.183 19544 4054 1 16 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.760 0.812 19544 4055 1 16 . 1 1 8 8 VAL H H 8 7.682 7.682 8.322 -0.640 19544 4056 1 16 . 1 1 9 9 GLY N N 9 115.704 115.704 115.752 -0.048 19544 4057 1 16 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.844 -0.309 19544 4058 1 16 . 1 1 9 9 GLY H H 9 9.252 9.252 9.202 0.050 19544 4059 1 16 . 1 1 10 10 GLU N N 10 119.256 119.256 119.286 -0.030 19544 4060 1 16 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.780 0.107 19544 4061 1 16 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.633 1.125 19544 4062 1 16 . 1 1 10 10 GLU CB C 10 32.851 32.851 32.485 0.366 19544 4063 1 16 . 1 1 10 10 GLU H H 10 8.332 8.332 7.891 0.441 19544 4064 1 16 . 1 1 11 11 SER N N 11 112.505 112.505 112.901 -0.396 19544 4065 1 16 . 1 1 11 11 SER HA H 11 5.879 5.879 5.239 0.640 19544 4066 1 16 . 1 1 11 11 SER CA C 11 57.963 57.963 57.380 0.584 19544 4067 1 16 . 1 1 11 11 SER CB C 11 66.878 66.878 66.423 0.455 19544 4068 1 16 . 1 1 11 11 SER H H 11 8.661 8.661 8.382 0.279 19544 4069 1 16 . 1 1 12 12 ILE N N 12 124.635 124.635 119.858 4.777 19544 4070 1 16 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.457 -0.087 19544 4071 1 16 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.370 -0.431 19544 4072 1 16 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.891 -0.169 19544 4073 1 16 . 1 1 12 12 ILE H H 12 9.320 9.320 8.709 0.611 19544 4074 1 16 . 1 1 13 13 ASN N N 13 126.113 126.113 120.233 5.880 19544 4075 1 16 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.200 -0.211 19544 4076 1 16 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.550 0.877 19544 4077 1 16 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.798 -0.364 19544 4078 1 16 . 1 1 13 13 ASN H H 13 9.349 9.349 8.460 0.889 19544 4079 1 16 . 1 1 14 14 ILE N N 14 123.849 123.849 121.190 2.659 19544 4080 1 16 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.461 -0.002 19544 4081 1 16 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.620 -0.054 19544 4082 1 16 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.593 -3.065 19544 4083 1 16 . 1 1 14 14 ILE H H 14 8.417 8.417 8.400 0.017 19544 4084 1 16 . 1 1 15 15 GLY N N 15 115.401 115.401 112.754 2.647 19544 4085 1 16 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.395 -0.459 19544 4086 1 16 . 1 1 15 15 GLY H H 15 9.100 9.100 8.580 0.520 19544 4087 1 16 . 1 1 16 16 ASP N N 16 120.669 120.669 121.666 -0.997 19544 4088 1 16 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.731 0.205 19544 4089 1 16 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.349 0.850 19544 4090 1 16 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.403 0.983 19544 4091 1 16 . 1 1 16 16 ASP H H 16 8.754 8.754 8.272 0.482 19544 4092 1 16 . 1 1 17 17 ASP N N 17 115.502 115.502 119.013 -3.511 19544 4093 1 16 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.774 -0.037 19544 4094 1 16 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.937 0.140 19544 4095 1 16 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.693 -1.188 19544 4096 1 16 . 1 1 17 17 ASP H H 17 8.143 8.143 7.944 0.199 19544 4097 1 16 . 1 1 18 18 ILE N N 18 118.662 118.662 119.952 -1.290 19544 4098 1 16 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.040 0.181 19544 4099 1 16 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.311 -0.306 19544 4100 1 16 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.114 -2.464 19544 4101 1 16 . 1 1 18 18 ILE H H 18 7.177 7.177 7.660 -0.483 19544 4102 1 16 . 1 1 19 19 THR N N 19 122.983 122.983 120.818 2.165 19544 4103 1 16 . 1 1 19 19 THR HA H 19 5.119 5.119 5.027 0.092 19544 4104 1 16 . 1 1 19 19 THR CA C 19 60.918 60.918 61.323 -0.405 19544 4105 1 16 . 1 1 19 19 THR CB C 19 71.715 71.715 72.159 -0.444 19544 4106 1 16 . 1 1 19 19 THR H H 19 8.953 8.953 8.628 0.325 19544 4107 1 16 . 1 1 20 20 ILE N N 20 123.406 123.406 121.938 1.468 19544 4108 1 16 . 1 1 20 20 ILE HA H 20 4.925 4.925 4.991 -0.066 19544 4109 1 16 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.039 -0.185 19544 4110 1 16 . 1 1 20 20 ILE CB C 20 40.376 40.376 41.846 -1.470 19544 4111 1 16 . 1 1 20 20 ILE H H 20 8.934 8.934 9.074 -0.140 19544 4112 1 16 . 1 1 21 21 THR N N 21 123.706 123.706 120.960 2.746 19544 4113 1 16 . 1 1 21 21 THR HA H 21 4.843 4.843 4.906 -0.063 19544 4114 1 16 . 1 1 21 21 THR CA C 21 61.530 61.530 61.720 -0.190 19544 4115 1 16 . 1 1 21 21 THR CB C 21 71.954 71.954 71.365 0.589 19544 4116 1 16 . 1 1 21 21 THR H H 21 9.413 9.413 8.964 0.449 19544 4117 1 16 . 1 1 22 22 ILE N N 22 125.648 125.648 129.650 -4.002 19544 4118 1 16 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.224 -0.114 19544 4119 1 16 . 1 1 22 22 ILE CA C 22 59.087 59.087 59.323 -0.236 19544 4120 1 16 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.471 -3.545 19544 4121 1 16 . 1 1 22 22 ILE H H 22 8.081 8.081 8.335 -0.254 19544 4122 1 16 . 1 1 23 23 LEU N N 23 129.374 129.374 128.548 0.826 19544 4123 1 16 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.232 0.297 19544 4124 1 16 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.245 -0.671 19544 4125 1 16 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.840 0.845 19544 4126 1 16 . 1 1 23 23 LEU H H 23 8.819 8.819 8.226 0.593 19544 4127 1 16 . 1 1 24 24 GLY N N 24 104.611 104.611 103.572 1.039 19544 4128 1 16 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.774 1.131 19544 4129 1 16 . 1 1 24 24 GLY H H 24 7.537 7.537 7.557 -0.020 19544 4130 1 16 . 1 1 25 25 VAL N N 25 120.900 120.900 116.394 4.506 19544 4131 1 16 . 1 1 25 25 VAL HA H 25 4.654 4.654 4.948 -0.294 19544 4132 1 16 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.351 3.126 19544 4133 1 16 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.751 -0.011 19544 4134 1 16 . 1 1 25 25 VAL H H 25 8.454 8.454 8.248 0.206 19544 4135 1 16 . 1 1 26 26 SER N N 26 121.619 121.619 117.694 3.925 19544 4136 1 16 . 1 1 26 26 SER HA H 26 4.676 4.676 4.718 -0.042 19544 4137 1 16 . 1 1 26 26 SER CA C 26 56.360 56.360 58.050 -1.690 19544 4138 1 16 . 1 1 26 26 SER CB C 26 63.802 63.802 63.678 0.124 19544 4139 1 16 . 1 1 26 26 SER H H 26 8.571 8.571 8.293 0.278 19544 4140 1 16 . 1 1 27 27 GLY N N 27 118.284 118.284 117.744 0.540 19544 4141 1 16 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.648 0.767 19544 4142 1 16 . 1 1 27 27 GLY H H 27 9.023 9.023 8.716 0.307 19544 4143 1 16 . 1 1 28 28 GLN N N 28 124.398 124.398 124.104 0.294 19544 4144 1 16 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.505 -0.215 19544 4145 1 16 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.446 -0.234 19544 4146 1 16 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.510 0.043 19544 4147 1 16 . 1 1 28 28 GLN H H 28 8.776 8.776 8.592 0.184 19544 4148 1 16 . 1 1 29 29 GLN N N 29 117.501 117.501 120.143 -2.642 19544 4149 1 16 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.345 0.285 19544 4150 1 16 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.795 -0.501 19544 4151 1 16 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.074 1.608 19544 4152 1 16 . 1 1 29 29 GLN H H 29 8.289 8.289 7.787 0.502 19544 4153 1 16 . 1 1 30 30 VAL N N 30 124.451 124.451 120.514 3.937 19544 4154 1 16 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.490 0.088 19544 4155 1 16 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.311 -0.847 19544 4156 1 16 . 1 1 30 30 VAL CB C 30 34.413 34.413 33.426 0.987 19544 4157 1 16 . 1 1 30 30 VAL H H 30 9.174 9.174 8.365 0.809 19544 4158 1 16 . 1 1 31 31 ARG N N 31 128.251 128.251 127.937 0.314 19544 4159 1 16 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.505 0.132 19544 4160 1 16 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.654 -0.153 19544 4161 1 16 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.781 1.045 19544 4162 1 16 . 1 1 31 31 ARG H H 31 8.765 8.765 8.484 0.281 19544 4163 1 16 . 1 1 32 32 ILE N N 32 127.573 127.573 125.051 2.522 19544 4164 1 16 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.579 0.081 19544 4165 1 16 . 1 1 32 32 ILE CA C 32 59.568 59.568 60.023 -0.455 19544 4166 1 16 . 1 1 32 32 ILE CB C 32 41.055 41.055 39.737 1.318 19544 4167 1 16 . 1 1 32 32 ILE H H 32 8.949 8.949 8.411 0.538 19544 4168 1 16 . 1 1 33 33 GLY N N 33 112.581 112.581 115.542 -2.961 19544 4169 1 16 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.461 1.133 19544 4170 1 16 . 1 1 33 33 GLY H H 33 9.127 9.127 9.059 0.068 19544 4171 1 16 . 1 1 34 34 ILE N N 34 124.726 124.726 120.939 3.787 19544 4172 1 16 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.670 0.160 19544 4173 1 16 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.158 0.791 19544 4174 1 16 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.239 -0.935 19544 4175 1 16 . 1 1 34 34 ILE H H 34 9.599 9.599 8.283 1.316 19544 4176 1 16 . 1 1 35 35 ASN N N 35 129.529 129.529 124.121 5.408 19544 4177 1 16 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.975 0.120 19544 4178 1 16 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.407 -0.408 19544 4179 1 16 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.364 -0.216 19544 4180 1 16 . 1 1 35 35 ASN H H 35 9.035 9.035 8.810 0.225 19544 4181 1 16 . 1 1 36 36 ALA N N 36 125.575 125.575 127.823 -2.248 19544 4182 1 16 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.171 -0.111 19544 4183 1 16 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.428 -0.112 19544 4184 1 16 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.018 -1.120 19544 4185 1 16 . 1 1 36 36 ALA H H 36 8.231 8.231 8.128 0.103 19544 4186 1 16 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.528 -0.116 19544 4187 1 16 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.128 0.772 19544 4188 1 16 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.684 -0.359 19544 4189 1 16 . 1 1 38 38 LYS N N 38 121.064 121.064 121.763 -0.699 19544 4190 1 16 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.047 -0.254 19544 4191 1 16 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.702 1.096 19544 4192 1 16 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.690 0.153 19544 4193 1 16 . 1 1 38 38 LYS H H 38 8.555 8.555 8.461 0.094 19544 4194 1 16 . 1 1 39 39 ASP N N 39 113.867 113.867 118.539 -4.672 19544 4195 1 16 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.496 -0.142 19544 4196 1 16 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.792 -0.837 19544 4197 1 16 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.127 -1.415 19544 4198 1 16 . 1 1 39 39 ASP H H 39 8.159 8.159 8.212 -0.053 19544 4199 1 16 . 1 1 40 40 VAL N N 40 122.635 122.635 114.348 8.287 19544 4200 1 16 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.459 -0.489 19544 4201 1 16 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.779 2.027 19544 4202 1 16 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.481 -3.509 19544 4203 1 16 . 1 1 40 40 VAL H H 40 8.050 8.050 7.452 0.598 19544 4204 1 16 . 1 1 41 41 ALA N N 41 133.705 133.705 125.690 8.015 19544 4205 1 16 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.827 -0.372 19544 4206 1 16 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.259 0.885 19544 4207 1 16 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.820 -0.898 19544 4208 1 16 . 1 1 41 41 ALA H H 41 8.917 8.917 8.289 0.628 19544 4209 1 16 . 1 1 42 42 VAL N N 42 125.251 125.251 120.257 4.994 19544 4210 1 16 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.225 0.174 19544 4211 1 16 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.671 -1.084 19544 4212 1 16 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.275 0.297 19544 4213 1 16 . 1 1 42 42 VAL H H 42 7.870 7.870 7.848 0.022 19544 4214 1 16 . 1 1 43 43 HIS N N 43 118.702 118.702 123.936 -5.234 19544 4215 1 16 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.936 0.613 19544 4216 1 16 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.329 -1.586 19544 4217 1 16 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.779 6.005 19544 4218 1 16 . 1 1 43 43 HIS H H 43 8.605 8.605 8.250 0.355 19544 4219 1 16 . 1 1 44 44 ARG N N 44 121.777 121.777 121.445 0.332 19544 4220 1 16 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.379 -0.420 19544 4221 1 16 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.995 2.191 19544 4222 1 16 . 1 1 44 44 ARG H H 44 8.395 8.395 8.697 -0.302 19544 4223 1 16 . 1 1 45 45 GLU N N 45 125.983 125.983 122.315 3.668 19544 4224 1 16 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.166 0.243 19544 4225 1 16 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.603 0.284 19544 4226 1 16 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.820 0.124 19544 4227 1 16 . 1 1 45 45 GLU H H 45 7.926 7.926 8.982 -1.056 19544 4228 1 16 . 1 1 46 46 GLU N N 46 118.177 118.177 115.470 2.707 19544 4229 1 16 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.272 -0.021 19544 4230 1 16 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.010 0.563 19544 4231 1 16 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.149 -2.299 19544 4232 1 16 . 1 1 46 46 GLU H H 46 10.750 10.750 8.632 2.118 19544 4233 1 16 . 1 1 47 47 ILE N N 47 122.609 122.609 119.106 3.503 19544 4234 1 16 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.234 -0.494 19544 4235 1 16 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.743 -0.195 19544 4236 1 16 . 1 1 47 47 ILE CB C 47 34.717 34.717 39.291 -4.574 19544 4237 1 16 . 1 1 47 47 ILE H H 47 7.166 7.166 7.694 -0.528 19544 4238 1 16 . 1 1 48 48 TYR N N 48 122.090 122.090 121.831 0.259 19544 4239 1 16 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.923 -0.311 19544 4240 1 16 . 1 1 48 48 TYR CA C 48 62.310 62.310 60.965 1.345 19544 4241 1 16 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.130 0.917 19544 4242 1 16 . 1 1 48 48 TYR H H 48 8.113 8.113 8.727 -0.614 19544 4243 1 16 . 1 1 49 49 GLN N N 49 114.980 114.980 116.528 -1.548 19544 4244 1 16 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.674 0.170 19544 4245 1 16 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.781 0.784 19544 4246 1 16 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.475 -0.372 19544 4247 1 16 . 1 1 49 49 GLN H H 49 8.573 8.573 7.956 0.617 19544 4248 1 16 . 1 1 50 50 ARG N N 50 120.374 120.374 119.960 0.414 19544 4249 1 16 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.173 -0.209 19544 4250 1 16 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.409 0.744 19544 4251 1 16 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.683 -0.274 19544 4252 1 16 . 1 1 50 50 ARG H H 50 7.176 7.176 7.624 -0.448 19544 4253 1 16 . 1 1 51 51 ILE N N 51 120.770 120.770 119.018 1.752 19544 4254 1 16 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.799 -0.231 19544 4255 1 16 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.780 0.894 19544 4256 1 16 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.726 0.353 19544 4257 1 16 . 1 1 51 51 ILE H H 51 7.993 7.993 7.526 0.467 19544 4258 1 16 . 1 1 52 52 GLN N N 52 118.553 118.553 116.500 2.053 19544 4259 1 16 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.286 -0.499 19544 4260 1 16 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.576 1.877 19544 4261 1 16 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.797 -0.757 19544 4262 1 16 . 1 1 52 52 GLN H H 52 7.927 7.927 7.517 0.410 19544 4263 1 16 . 1 1 53 53 ALA N N 53 120.448 120.448 120.215 0.233 19544 4264 1 16 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.624 -0.465 19544 4265 1 16 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.051 1.125 19544 4266 1 16 . 1 1 53 53 ALA CB C 53 18.419 18.419 20.954 -2.535 19544 4267 1 16 . 1 1 53 53 ALA H H 53 7.600 7.600 7.794 -0.194 19544 4268 1 16 . 1 1 54 54 GLY N N 54 105.491 105.491 106.644 -1.153 19544 4269 1 16 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.412 0.105 19544 4270 1 16 . 1 1 54 54 GLY H H 54 7.671 7.671 7.777 -0.106 19544 4271 1 16 . 1 1 55 55 LEU N N 55 120.780 120.780 120.078 0.702 19544 4272 1 16 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.864 -0.552 19544 4273 1 16 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.013 0.827 19544 4274 1 16 . 1 1 55 55 LEU CB C 55 42.133 42.133 44.350 -2.217 19544 4275 1 16 . 1 1 55 55 LEU H H 55 7.640 7.640 8.363 -0.723 19544 4276 1 16 . 1 1 56 56 THR N N 56 113.308 113.308 112.719 0.589 19544 4277 1 16 . 1 1 56 56 THR HA H 56 4.271 4.271 4.435 -0.164 19544 4278 1 16 . 1 1 56 56 THR CA C 56 61.302 61.302 62.595 -1.293 19544 4279 1 16 . 1 1 56 56 THR CB C 56 69.901 69.901 70.016 -0.115 19544 4280 1 16 . 1 1 56 56 THR H H 56 7.788 7.788 8.238 -0.450 19544 4281 1 16 . 1 1 57 57 ALA N N 57 127.382 127.382 124.244 3.138 19544 4282 1 16 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.571 -0.063 19544 4283 1 16 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.289 -0.770 19544 4284 1 16 . 1 1 57 57 ALA CB C 57 18.234 18.234 18.838 -0.604 19544 4285 1 16 . 1 1 57 57 ALA H H 57 8.072 8.072 7.712 0.360 19544 4286 1 16 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.420 -0.105 19544 4287 1 16 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.774 0.575 19544 4288 1 16 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.270 -0.378 19544 4289 1 17 . 1 1 2 2 LEU N N 2 124.411 124.411 128.532 -4.121 19544 4290 1 17 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.816 -0.382 19544 4291 1 17 . 1 1 2 2 LEU CA C 2 54.276 54.276 54.932 -0.656 19544 4292 1 17 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.715 -0.516 19544 4293 1 17 . 1 1 2 2 LEU H H 2 8.389 8.389 8.574 -0.185 19544 4294 1 17 . 1 1 3 3 ILE N N 3 130.539 130.539 124.592 5.947 19544 4295 1 17 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.138 0.789 19544 4296 1 17 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.492 -1.338 19544 4297 1 17 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.535 -0.701 19544 4298 1 17 . 1 1 3 3 ILE H H 3 10.459 10.459 8.389 2.070 19544 4299 1 17 . 1 1 4 4 LEU N N 4 123.187 123.187 125.369 -2.182 19544 4300 1 17 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.724 0.136 19544 4301 1 17 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.823 -1.369 19544 4302 1 17 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.094 1.505 19544 4303 1 17 . 1 1 4 4 LEU H H 4 8.600 8.600 8.146 0.454 19544 4304 1 17 . 1 1 5 5 THR N N 5 116.018 116.018 113.947 2.071 19544 4305 1 17 . 1 1 5 5 THR HA H 5 5.507 5.507 4.638 0.869 19544 4306 1 17 . 1 1 5 5 THR CA C 5 60.401 60.401 61.335 -0.934 19544 4307 1 17 . 1 1 5 5 THR CB C 5 69.984 69.984 69.742 0.242 19544 4308 1 17 . 1 1 5 5 THR H H 5 9.416 9.416 8.227 1.189 19544 4309 1 17 . 1 1 6 6 ARG N N 6 123.849 123.849 123.701 0.148 19544 4310 1 17 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.486 0.527 19544 4311 1 17 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.661 -0.127 19544 4312 1 17 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.236 6.547 19544 4313 1 17 . 1 1 6 6 ARG H H 6 9.336 9.336 8.461 0.875 19544 4314 1 17 . 1 1 7 7 LYS N N 7 123.068 123.068 126.142 -3.074 19544 4315 1 17 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.463 0.636 19544 4316 1 17 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.579 -1.509 19544 4317 1 17 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.206 0.138 19544 4318 1 17 . 1 1 7 7 LYS H H 7 9.381 9.381 8.941 0.440 19544 4319 1 17 . 1 1 8 8 VAL N N 8 118.072 118.072 119.947 -1.875 19544 4320 1 17 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.897 -0.593 19544 4321 1 17 . 1 1 8 8 VAL CA C 8 65.828 65.828 62.778 3.050 19544 4322 1 17 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.648 -0.076 19544 4323 1 17 . 1 1 8 8 VAL H H 8 7.682 7.682 8.184 -0.502 19544 4324 1 17 . 1 1 9 9 GLY N N 9 115.704 115.704 114.264 1.440 19544 4325 1 17 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.906 -0.371 19544 4326 1 17 . 1 1 9 9 GLY H H 9 9.252 9.252 9.008 0.244 19544 4327 1 17 . 1 1 10 10 GLU N N 10 119.256 119.256 120.066 -0.810 19544 4328 1 17 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.779 0.108 19544 4329 1 17 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.533 1.225 19544 4330 1 17 . 1 1 10 10 GLU CB C 10 32.851 32.851 32.004 0.847 19544 4331 1 17 . 1 1 10 10 GLU H H 10 8.332 8.332 7.868 0.464 19544 4332 1 17 . 1 1 11 11 SER N N 11 112.505 112.505 113.073 -0.568 19544 4333 1 17 . 1 1 11 11 SER HA H 11 5.879 5.879 5.218 0.661 19544 4334 1 17 . 1 1 11 11 SER CA C 11 57.963 57.963 57.246 0.717 19544 4335 1 17 . 1 1 11 11 SER CB C 11 66.878 66.878 66.343 0.535 19544 4336 1 17 . 1 1 11 11 SER H H 11 8.661 8.661 8.327 0.334 19544 4337 1 17 . 1 1 12 12 ILE N N 12 124.635 124.635 119.859 4.776 19544 4338 1 17 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.456 -0.086 19544 4339 1 17 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.230 -0.291 19544 4340 1 17 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.960 -0.238 19544 4341 1 17 . 1 1 12 12 ILE H H 12 9.320 9.320 8.755 0.565 19544 4342 1 17 . 1 1 13 13 ASN N N 13 126.113 126.113 120.139 5.974 19544 4343 1 17 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.207 -0.218 19544 4344 1 17 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.565 0.862 19544 4345 1 17 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.857 -0.423 19544 4346 1 17 . 1 1 13 13 ASN H H 13 9.349 9.349 8.452 0.897 19544 4347 1 17 . 1 1 14 14 ILE N N 14 123.849 123.849 121.181 2.668 19544 4348 1 17 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.461 -0.002 19544 4349 1 17 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.623 -0.057 19544 4350 1 17 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.636 -3.108 19544 4351 1 17 . 1 1 14 14 ILE H H 14 8.417 8.417 8.428 -0.011 19544 4352 1 17 . 1 1 15 15 GLY N N 15 115.401 115.401 112.710 2.691 19544 4353 1 17 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.420 -0.484 19544 4354 1 17 . 1 1 15 15 GLY H H 15 9.100 9.100 8.579 0.521 19544 4355 1 17 . 1 1 16 16 ASP N N 16 120.669 120.669 121.711 -1.042 19544 4356 1 17 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.731 0.205 19544 4357 1 17 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.349 0.850 19544 4358 1 17 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.404 0.982 19544 4359 1 17 . 1 1 16 16 ASP H H 16 8.754 8.754 8.266 0.488 19544 4360 1 17 . 1 1 17 17 ASP N N 17 115.502 115.502 118.972 -3.470 19544 4361 1 17 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.772 -0.035 19544 4362 1 17 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.954 0.123 19544 4363 1 17 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.751 -1.247 19544 4364 1 17 . 1 1 17 17 ASP H H 17 8.143 8.143 7.903 0.240 19544 4365 1 17 . 1 1 18 18 ILE N N 18 118.662 118.662 120.083 -1.421 19544 4366 1 17 . 1 1 18 18 ILE HA H 18 5.221 5.221 4.993 0.228 19544 4367 1 17 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.052 -0.047 19544 4368 1 17 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.092 -2.442 19544 4369 1 17 . 1 1 18 18 ILE H H 18 7.177 7.177 7.719 -0.542 19544 4370 1 17 . 1 1 19 19 THR N N 19 122.983 122.983 120.820 2.163 19544 4371 1 17 . 1 1 19 19 THR HA H 19 5.119 5.119 5.048 0.071 19544 4372 1 17 . 1 1 19 19 THR CA C 19 60.918 60.918 61.314 -0.396 19544 4373 1 17 . 1 1 19 19 THR CB C 19 71.715 71.715 72.399 -0.684 19544 4374 1 17 . 1 1 19 19 THR H H 19 8.953 8.953 8.654 0.299 19544 4375 1 17 . 1 1 20 20 ILE N N 20 123.406 123.406 121.891 1.515 19544 4376 1 17 . 1 1 20 20 ILE HA H 20 4.925 4.925 4.988 -0.063 19544 4377 1 17 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.344 -0.490 19544 4378 1 17 . 1 1 20 20 ILE CB C 20 40.376 40.376 42.092 -1.716 19544 4379 1 17 . 1 1 20 20 ILE H H 20 8.934 8.934 9.198 -0.264 19544 4380 1 17 . 1 1 21 21 THR N N 21 123.706 123.706 120.664 3.042 19544 4381 1 17 . 1 1 21 21 THR HA H 21 4.843 4.843 4.887 -0.044 19544 4382 1 17 . 1 1 21 21 THR CA C 21 61.530 61.530 61.643 -0.113 19544 4383 1 17 . 1 1 21 21 THR CB C 21 71.954 71.954 71.656 0.298 19544 4384 1 17 . 1 1 21 21 THR H H 21 9.413 9.413 8.935 0.478 19544 4385 1 17 . 1 1 22 22 ILE N N 22 125.648 125.648 129.210 -3.562 19544 4386 1 17 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.233 -0.123 19544 4387 1 17 . 1 1 22 22 ILE CA C 22 59.087 59.087 59.346 -0.259 19544 4388 1 17 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.503 -3.577 19544 4389 1 17 . 1 1 22 22 ILE H H 22 8.081 8.081 8.375 -0.294 19544 4390 1 17 . 1 1 23 23 LEU N N 23 129.374 129.374 128.732 0.642 19544 4391 1 17 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.207 0.322 19544 4392 1 17 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.388 -0.814 19544 4393 1 17 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.889 0.796 19544 4394 1 17 . 1 1 23 23 LEU H H 23 8.819 8.819 8.235 0.584 19544 4395 1 17 . 1 1 24 24 GLY N N 24 104.611 104.611 103.687 0.924 19544 4396 1 17 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.685 1.220 19544 4397 1 17 . 1 1 24 24 GLY H H 24 7.537 7.537 7.538 -0.001 19544 4398 1 17 . 1 1 25 25 VAL N N 25 120.900 120.900 115.370 5.530 19544 4399 1 17 . 1 1 25 25 VAL HA H 25 4.654 4.654 5.026 -0.372 19544 4400 1 17 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.921 2.556 19544 4401 1 17 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.540 0.200 19544 4402 1 17 . 1 1 25 25 VAL H H 25 8.454 8.454 8.379 0.075 19544 4403 1 17 . 1 1 26 26 SER N N 26 121.619 121.619 117.902 3.717 19544 4404 1 17 . 1 1 26 26 SER HA H 26 4.676 4.676 4.623 0.053 19544 4405 1 17 . 1 1 26 26 SER CA C 26 56.360 56.360 57.867 -1.506 19544 4406 1 17 . 1 1 26 26 SER CB C 26 63.802 63.802 64.482 -0.680 19544 4407 1 17 . 1 1 26 26 SER H H 26 8.571 8.571 8.474 0.097 19544 4408 1 17 . 1 1 27 27 GLY N N 27 118.284 118.284 116.126 2.158 19544 4409 1 17 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.872 0.543 19544 4410 1 17 . 1 1 27 27 GLY H H 27 9.023 9.023 8.707 0.316 19544 4411 1 17 . 1 1 28 28 GLN N N 28 124.398 124.398 122.899 1.499 19544 4412 1 17 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.538 -0.248 19544 4413 1 17 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.324 -0.112 19544 4414 1 17 . 1 1 28 28 GLN CB C 28 29.553 29.553 30.309 -0.756 19544 4415 1 17 . 1 1 28 28 GLN H H 28 8.776 8.776 8.491 0.285 19544 4416 1 17 . 1 1 29 29 GLN N N 29 117.501 117.501 120.820 -3.319 19544 4417 1 17 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.323 0.307 19544 4418 1 17 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.179 -0.885 19544 4419 1 17 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.034 1.648 19544 4420 1 17 . 1 1 29 29 GLN H H 29 8.289 8.289 8.022 0.267 19544 4421 1 17 . 1 1 30 30 VAL N N 30 124.451 124.451 119.958 4.493 19544 4422 1 17 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.557 0.021 19544 4423 1 17 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.596 -1.131 19544 4424 1 17 . 1 1 30 30 VAL CB C 30 34.413 34.413 34.243 0.169 19544 4425 1 17 . 1 1 30 30 VAL H H 30 9.174 9.174 8.308 0.866 19544 4426 1 17 . 1 1 31 31 ARG N N 31 128.251 128.251 127.834 0.417 19544 4427 1 17 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.522 0.115 19544 4428 1 17 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.415 0.086 19544 4429 1 17 . 1 1 31 31 ARG CB C 31 31.826 31.826 31.293 0.533 19544 4430 1 17 . 1 1 31 31 ARG H H 31 8.765 8.765 8.661 0.104 19544 4431 1 17 . 1 1 32 32 ILE N N 32 127.573 127.573 124.063 3.510 19544 4432 1 17 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.753 -0.093 19544 4433 1 17 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.850 -0.282 19544 4434 1 17 . 1 1 32 32 ILE CB C 32 41.055 41.055 40.521 0.534 19544 4435 1 17 . 1 1 32 32 ILE H H 32 8.949 8.949 8.562 0.387 19544 4436 1 17 . 1 1 33 33 GLY N N 33 112.581 112.581 114.858 -2.277 19544 4437 1 17 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.406 1.188 19544 4438 1 17 . 1 1 33 33 GLY H H 33 9.127 9.127 9.056 0.070 19544 4439 1 17 . 1 1 34 34 ILE N N 34 124.726 124.726 120.977 3.749 19544 4440 1 17 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.706 0.124 19544 4441 1 17 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.128 0.822 19544 4442 1 17 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.257 -0.953 19544 4443 1 17 . 1 1 34 34 ILE H H 34 9.599 9.599 8.292 1.307 19544 4444 1 17 . 1 1 35 35 ASN N N 35 129.529 129.529 124.135 5.394 19544 4445 1 17 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.974 0.121 19544 4446 1 17 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.402 -0.402 19544 4447 1 17 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.336 -0.188 19544 4448 1 17 . 1 1 35 35 ASN H H 35 9.035 9.035 8.844 0.191 19544 4449 1 17 . 1 1 36 36 ALA N N 36 125.575 125.575 127.900 -2.325 19544 4450 1 17 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.200 -0.140 19544 4451 1 17 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.407 -0.091 19544 4452 1 17 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.012 -1.114 19544 4453 1 17 . 1 1 36 36 ALA H H 36 8.231 8.231 8.130 0.101 19544 4454 1 17 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.534 -0.122 19544 4455 1 17 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.109 0.791 19544 4456 1 17 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.739 -0.413 19544 4457 1 17 . 1 1 38 38 LYS N N 38 121.064 121.064 121.536 -0.472 19544 4458 1 17 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.093 -0.300 19544 4459 1 17 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.656 1.142 19544 4460 1 17 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.673 0.170 19544 4461 1 17 . 1 1 38 38 LYS H H 38 8.555 8.555 8.560 -0.005 19544 4462 1 17 . 1 1 39 39 ASP N N 39 113.867 113.867 118.810 -4.943 19544 4463 1 17 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.484 -0.130 19544 4464 1 17 . 1 1 39 39 ASP CA C 39 53.955 53.955 55.163 -1.208 19544 4465 1 17 . 1 1 39 39 ASP CB C 39 39.712 39.712 40.962 -1.250 19544 4466 1 17 . 1 1 39 39 ASP H H 39 8.159 8.159 8.359 -0.200 19544 4467 1 17 . 1 1 40 40 VAL N N 40 122.635 122.635 114.722 7.913 19544 4468 1 17 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.419 -0.449 19544 4469 1 17 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.786 2.020 19544 4470 1 17 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.115 -3.143 19544 4471 1 17 . 1 1 40 40 VAL H H 40 8.050 8.050 7.504 0.546 19544 4472 1 17 . 1 1 41 41 ALA N N 41 133.705 133.705 124.241 9.464 19544 4473 1 17 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.591 -0.136 19544 4474 1 17 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.040 1.104 19544 4475 1 17 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.819 -0.898 19544 4476 1 17 . 1 1 41 41 ALA H H 41 8.917 8.917 8.211 0.706 19544 4477 1 17 . 1 1 42 42 VAL N N 42 125.251 125.251 120.290 4.961 19544 4478 1 17 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.170 0.229 19544 4479 1 17 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.643 -1.056 19544 4480 1 17 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.268 0.304 19544 4481 1 17 . 1 1 42 42 VAL H H 42 7.870 7.870 7.773 0.097 19544 4482 1 17 . 1 1 43 43 HIS N N 43 118.702 118.702 123.408 -4.706 19544 4483 1 17 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.843 0.706 19544 4484 1 17 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.167 -1.424 19544 4485 1 17 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.410 6.374 19544 4486 1 17 . 1 1 43 43 HIS H H 43 8.605 8.605 8.159 0.446 19544 4487 1 17 . 1 1 44 44 ARG N N 44 121.777 121.777 122.559 -0.782 19544 4488 1 17 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.334 -0.375 19544 4489 1 17 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.867 2.318 19544 4490 1 17 . 1 1 44 44 ARG H H 44 8.395 8.395 8.663 -0.268 19544 4491 1 17 . 1 1 45 45 GLU N N 45 125.983 125.983 124.967 1.016 19544 4492 1 17 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.105 0.304 19544 4493 1 17 . 1 1 45 45 GLU CA C 45 59.887 59.887 60.006 -0.119 19544 4494 1 17 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.702 0.242 19544 4495 1 17 . 1 1 45 45 GLU H H 45 7.926 7.926 8.998 -1.072 19544 4496 1 17 . 1 1 46 46 GLU N N 46 118.177 118.177 116.942 1.235 19544 4497 1 17 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.208 0.043 19544 4498 1 17 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.355 0.218 19544 4499 1 17 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.172 -2.322 19544 4500 1 17 . 1 1 46 46 GLU H H 46 10.750 10.750 8.684 2.066 19544 4501 1 17 . 1 1 47 47 ILE N N 47 122.609 122.609 119.428 3.181 19544 4502 1 17 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.083 -0.343 19544 4503 1 17 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.991 -0.442 19544 4504 1 17 . 1 1 47 47 ILE CB C 47 34.717 34.717 38.355 -3.638 19544 4505 1 17 . 1 1 47 47 ILE H H 47 7.166 7.166 7.727 -0.561 19544 4506 1 17 . 1 1 48 48 TYR N N 48 122.090 122.090 122.015 0.075 19544 4507 1 17 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.876 -0.264 19544 4508 1 17 . 1 1 48 48 TYR CA C 48 62.310 62.310 60.624 1.686 19544 4509 1 17 . 1 1 48 48 TYR CB C 48 39.047 39.047 37.986 1.061 19544 4510 1 17 . 1 1 48 48 TYR H H 48 8.113 8.113 8.634 -0.521 19544 4511 1 17 . 1 1 49 49 GLN N N 49 114.980 114.980 116.447 -1.467 19544 4512 1 17 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.631 0.213 19544 4513 1 17 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.707 0.858 19544 4514 1 17 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.444 -0.341 19544 4515 1 17 . 1 1 49 49 GLN H H 49 8.573 8.573 7.697 0.876 19544 4516 1 17 . 1 1 50 50 ARG N N 50 120.374 120.374 120.104 0.270 19544 4517 1 17 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.139 -0.175 19544 4518 1 17 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.563 0.590 19544 4519 1 17 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.576 -0.167 19544 4520 1 17 . 1 1 50 50 ARG H H 50 7.176 7.176 7.524 -0.348 19544 4521 1 17 . 1 1 51 51 ILE N N 51 120.770 120.770 118.717 2.053 19544 4522 1 17 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.811 -0.243 19544 4523 1 17 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.832 0.842 19544 4524 1 17 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.752 0.327 19544 4525 1 17 . 1 1 51 51 ILE H H 51 7.993 7.993 7.556 0.437 19544 4526 1 17 . 1 1 52 52 GLN N N 52 118.553 118.553 116.508 2.045 19544 4527 1 17 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.293 -0.506 19544 4528 1 17 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.618 1.835 19544 4529 1 17 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.775 -0.735 19544 4530 1 17 . 1 1 52 52 GLN H H 52 7.927 7.927 7.549 0.378 19544 4531 1 17 . 1 1 53 53 ALA N N 53 120.448 120.448 120.049 0.399 19544 4532 1 17 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.618 -0.459 19544 4533 1 17 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.040 1.136 19544 4534 1 17 . 1 1 53 53 ALA CB C 53 18.419 18.419 20.827 -2.408 19544 4535 1 17 . 1 1 53 53 ALA H H 53 7.600 7.600 7.775 -0.175 19544 4536 1 17 . 1 1 54 54 GLY N N 54 105.491 105.491 106.837 -1.346 19544 4537 1 17 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.154 0.363 19544 4538 1 17 . 1 1 54 54 GLY H H 54 7.671 7.671 7.672 -0.001 19544 4539 1 17 . 1 1 55 55 LEU N N 55 120.780 120.780 119.805 0.975 19544 4540 1 17 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.808 -0.496 19544 4541 1 17 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.340 0.500 19544 4542 1 17 . 1 1 55 55 LEU CB C 55 42.133 42.133 43.387 -1.254 19544 4543 1 17 . 1 1 55 55 LEU H H 55 7.640 7.640 8.394 -0.754 19544 4544 1 17 . 1 1 56 56 THR N N 56 113.308 113.308 113.531 -0.223 19544 4545 1 17 . 1 1 56 56 THR HA H 56 4.271 4.271 4.421 -0.150 19544 4546 1 17 . 1 1 56 56 THR CA C 56 61.302 61.302 62.362 -1.060 19544 4547 1 17 . 1 1 56 56 THR CB C 56 69.901 69.901 69.697 0.204 19544 4548 1 17 . 1 1 56 56 THR H H 56 7.788 7.788 8.285 -0.497 19544 4549 1 17 . 1 1 57 57 ALA N N 57 127.382 127.382 123.735 3.647 19544 4550 1 17 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.587 -0.079 19544 4551 1 17 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.250 -0.731 19544 4552 1 17 . 1 1 57 57 ALA CB C 57 18.234 18.234 18.985 -0.751 19544 4553 1 17 . 1 1 57 57 ALA H H 57 8.072 8.072 7.649 0.423 19544 4554 1 17 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.387 -0.072 19544 4555 1 17 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.662 0.687 19544 4556 1 17 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.305 -0.413 19544 4557 1 18 . 1 1 2 2 LEU N N 2 124.411 124.411 127.986 -3.575 19544 4558 1 18 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.814 -0.380 19544 4559 1 18 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.022 -0.746 19544 4560 1 18 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.936 -0.737 19544 4561 1 18 . 1 1 2 2 LEU H H 2 8.389 8.389 8.556 -0.167 19544 4562 1 18 . 1 1 3 3 ILE N N 3 130.539 130.539 124.212 6.327 19544 4563 1 18 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.170 0.757 19544 4564 1 18 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.449 -1.295 19544 4565 1 18 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.550 -0.716 19544 4566 1 18 . 1 1 3 3 ILE H H 3 10.459 10.459 8.373 2.086 19544 4567 1 18 . 1 1 4 4 LEU N N 4 123.187 123.187 127.040 -3.853 19544 4568 1 18 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.660 0.200 19544 4569 1 18 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.741 -1.287 19544 4570 1 18 . 1 1 4 4 LEU CB C 4 46.599 46.599 44.970 1.629 19544 4571 1 18 . 1 1 4 4 LEU H H 4 8.600 8.600 8.189 0.411 19544 4572 1 18 . 1 1 5 5 THR N N 5 116.018 116.018 115.288 0.730 19544 4573 1 18 . 1 1 5 5 THR HA H 5 5.507 5.507 4.595 0.912 19544 4574 1 18 . 1 1 5 5 THR CA C 5 60.401 60.401 61.640 -1.239 19544 4575 1 18 . 1 1 5 5 THR CB C 5 69.984 69.984 69.551 0.433 19544 4576 1 18 . 1 1 5 5 THR H H 5 9.416 9.416 8.148 1.268 19544 4577 1 18 . 1 1 6 6 ARG N N 6 123.849 123.849 122.717 1.132 19544 4578 1 18 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.443 0.570 19544 4579 1 18 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.576 -0.042 19544 4580 1 18 . 1 1 6 6 ARG CB C 6 38.783 38.783 33.070 5.713 19544 4581 1 18 . 1 1 6 6 ARG H H 6 9.336 9.336 8.285 1.051 19544 4582 1 18 . 1 1 7 7 LYS N N 7 123.068 123.068 124.361 -1.293 19544 4583 1 18 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.559 0.540 19544 4584 1 18 . 1 1 7 7 LYS CA C 7 54.070 54.070 54.863 -0.793 19544 4585 1 18 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.535 -0.191 19544 4586 1 18 . 1 1 7 7 LYS H H 7 9.381 9.381 8.761 0.620 19544 4587 1 18 . 1 1 8 8 VAL N N 8 118.072 118.072 120.297 -2.225 19544 4588 1 18 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.989 -0.685 19544 4589 1 18 . 1 1 8 8 VAL CA C 8 65.828 65.828 62.549 3.279 19544 4590 1 18 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.959 0.613 19544 4591 1 18 . 1 1 8 8 VAL H H 8 7.682 7.682 8.306 -0.624 19544 4592 1 18 . 1 1 9 9 GLY N N 9 115.704 115.704 115.765 -0.061 19544 4593 1 18 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.899 -0.364 19544 4594 1 18 . 1 1 9 9 GLY H H 9 9.252 9.252 9.093 0.159 19544 4595 1 18 . 1 1 10 10 GLU N N 10 119.256 119.256 119.755 -0.499 19544 4596 1 18 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.792 0.095 19544 4597 1 18 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.367 1.391 19544 4598 1 18 . 1 1 10 10 GLU CB C 10 32.851 32.851 32.734 0.117 19544 4599 1 18 . 1 1 10 10 GLU H H 10 8.332 8.332 7.839 0.493 19544 4600 1 18 . 1 1 11 11 SER N N 11 112.505 112.505 113.191 -0.686 19544 4601 1 18 . 1 1 11 11 SER HA H 11 5.879 5.879 5.236 0.643 19544 4602 1 18 . 1 1 11 11 SER CA C 11 57.963 57.963 57.021 0.942 19544 4603 1 18 . 1 1 11 11 SER CB C 11 66.878 66.878 66.142 0.736 19544 4604 1 18 . 1 1 11 11 SER H H 11 8.661 8.661 8.330 0.331 19544 4605 1 18 . 1 1 12 12 ILE N N 12 124.635 124.635 119.437 5.198 19544 4606 1 18 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.476 -0.106 19544 4607 1 18 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.123 -0.184 19544 4608 1 18 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.997 -0.275 19544 4609 1 18 . 1 1 12 12 ILE H H 12 9.320 9.320 8.812 0.508 19544 4610 1 18 . 1 1 13 13 ASN N N 13 126.113 126.113 120.292 5.821 19544 4611 1 18 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.041 -0.052 19544 4612 1 18 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.597 0.829 19544 4613 1 18 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.740 -0.306 19544 4614 1 18 . 1 1 13 13 ASN H H 13 9.349 9.349 8.464 0.885 19544 4615 1 18 . 1 1 14 14 ILE N N 14 123.849 123.849 121.195 2.654 19544 4616 1 18 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.455 0.004 19544 4617 1 18 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.643 -0.077 19544 4618 1 18 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.600 -3.072 19544 4619 1 18 . 1 1 14 14 ILE H H 14 8.417 8.417 8.382 0.035 19544 4620 1 18 . 1 1 15 15 GLY N N 15 115.401 115.401 113.339 2.062 19544 4621 1 18 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.156 -0.220 19544 4622 1 18 . 1 1 15 15 GLY H H 15 9.100 9.100 8.578 0.522 19544 4623 1 18 . 1 1 16 16 ASP N N 16 120.669 120.669 120.871 -0.202 19544 4624 1 18 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.687 0.249 19544 4625 1 18 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.121 1.077 19544 4626 1 18 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.426 0.960 19544 4627 1 18 . 1 1 16 16 ASP H H 16 8.754 8.754 8.340 0.414 19544 4628 1 18 . 1 1 17 17 ASP N N 17 115.502 115.502 120.062 -4.560 19544 4629 1 18 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.894 -0.157 19544 4630 1 18 . 1 1 17 17 ASP CA C 17 54.077 54.077 54.486 -0.409 19544 4631 1 18 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.487 -0.983 19544 4632 1 18 . 1 1 17 17 ASP H H 17 8.143 8.143 8.050 0.093 19544 4633 1 18 . 1 1 18 18 ILE N N 18 118.662 118.662 119.823 -1.161 19544 4634 1 18 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.050 0.171 19544 4635 1 18 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.318 -0.313 19544 4636 1 18 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.207 -2.557 19544 4637 1 18 . 1 1 18 18 ILE H H 18 7.177 7.177 7.631 -0.454 19544 4638 1 18 . 1 1 19 19 THR N N 19 122.983 122.983 120.795 2.188 19544 4639 1 18 . 1 1 19 19 THR HA H 19 5.119 5.119 4.942 0.177 19544 4640 1 18 . 1 1 19 19 THR CA C 19 60.918 60.918 61.672 -0.754 19544 4641 1 18 . 1 1 19 19 THR CB C 19 71.715 71.715 72.393 -0.678 19544 4642 1 18 . 1 1 19 19 THR H H 19 8.953 8.953 8.588 0.365 19544 4643 1 18 . 1 1 20 20 ILE N N 20 123.406 123.406 122.329 1.077 19544 4644 1 18 . 1 1 20 20 ILE HA H 20 4.925 4.925 5.052 -0.127 19544 4645 1 18 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.196 -0.342 19544 4646 1 18 . 1 1 20 20 ILE CB C 20 40.376 40.376 41.854 -1.478 19544 4647 1 18 . 1 1 20 20 ILE H H 20 8.934 8.934 9.154 -0.220 19544 4648 1 18 . 1 1 21 21 THR N N 21 123.706 123.706 119.792 3.914 19544 4649 1 18 . 1 1 21 21 THR HA H 21 4.843 4.843 4.916 -0.073 19544 4650 1 18 . 1 1 21 21 THR CA C 21 61.530 61.530 61.799 -0.269 19544 4651 1 18 . 1 1 21 21 THR CB C 21 71.954 71.954 72.237 -0.283 19544 4652 1 18 . 1 1 21 21 THR H H 21 9.413 9.413 8.996 0.417 19544 4653 1 18 . 1 1 22 22 ILE N N 22 125.648 125.648 126.607 -0.959 19544 4654 1 18 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.594 -0.484 19544 4655 1 18 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.284 0.803 19544 4656 1 18 . 1 1 22 22 ILE CB C 22 33.926 33.926 38.161 -4.235 19544 4657 1 18 . 1 1 22 22 ILE H H 22 8.081 8.081 8.392 -0.311 19544 4658 1 18 . 1 1 23 23 LEU N N 23 129.374 129.374 128.282 1.092 19544 4659 1 18 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.265 0.264 19544 4660 1 18 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.508 -0.934 19544 4661 1 18 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.903 0.783 19544 4662 1 18 . 1 1 23 23 LEU H H 23 8.819 8.819 8.246 0.573 19544 4663 1 18 . 1 1 24 24 GLY N N 24 104.611 104.611 103.478 1.133 19544 4664 1 18 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.811 1.094 19544 4665 1 18 . 1 1 24 24 GLY H H 24 7.537 7.537 7.573 -0.036 19544 4666 1 18 . 1 1 25 25 VAL N N 25 120.900 120.900 115.951 4.949 19544 4667 1 18 . 1 1 25 25 VAL HA H 25 4.654 4.654 4.871 -0.217 19544 4668 1 18 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.516 2.962 19544 4669 1 18 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.668 0.072 19544 4670 1 18 . 1 1 25 25 VAL H H 25 8.454 8.454 8.268 0.186 19544 4671 1 18 . 1 1 26 26 SER N N 26 121.619 121.619 117.443 4.176 19544 4672 1 18 . 1 1 26 26 SER HA H 26 4.676 4.676 4.633 0.043 19544 4673 1 18 . 1 1 26 26 SER CA C 26 56.360 56.360 57.949 -1.589 19544 4674 1 18 . 1 1 26 26 SER CB C 26 63.802 63.802 63.577 0.225 19544 4675 1 18 . 1 1 26 26 SER H H 26 8.571 8.571 8.378 0.193 19544 4676 1 18 . 1 1 27 27 GLY N N 27 118.284 118.284 117.516 0.768 19544 4677 1 18 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.377 1.038 19544 4678 1 18 . 1 1 27 27 GLY H H 27 9.023 9.023 8.680 0.343 19544 4679 1 18 . 1 1 28 28 GLN N N 28 124.398 124.398 123.863 0.535 19544 4680 1 18 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.508 -0.218 19544 4681 1 18 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.387 -0.175 19544 4682 1 18 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.448 0.105 19544 4683 1 18 . 1 1 28 28 GLN H H 28 8.776 8.776 8.579 0.197 19544 4684 1 18 . 1 1 29 29 GLN N N 29 117.501 117.501 120.192 -2.691 19544 4685 1 18 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.316 0.314 19544 4686 1 18 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.987 -0.693 19544 4687 1 18 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.008 1.675 19544 4688 1 18 . 1 1 29 29 GLN H H 29 8.289 8.289 7.636 0.653 19544 4689 1 18 . 1 1 30 30 VAL N N 30 124.451 124.451 120.237 4.214 19544 4690 1 18 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.479 0.099 19544 4691 1 18 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.626 -1.162 19544 4692 1 18 . 1 1 30 30 VAL CB C 30 34.413 34.413 34.056 0.356 19544 4693 1 18 . 1 1 30 30 VAL H H 30 9.174 9.174 8.317 0.857 19544 4694 1 18 . 1 1 31 31 ARG N N 31 128.251 128.251 127.978 0.273 19544 4695 1 18 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.462 0.175 19544 4696 1 18 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.668 -0.167 19544 4697 1 18 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.816 1.010 19544 4698 1 18 . 1 1 31 31 ARG H H 31 8.765 8.765 8.484 0.281 19544 4699 1 18 . 1 1 32 32 ILE N N 32 127.573 127.573 124.082 3.491 19544 4700 1 18 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.780 -0.120 19544 4701 1 18 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.603 -0.035 19544 4702 1 18 . 1 1 32 32 ILE CB C 32 41.055 41.055 41.248 -0.193 19544 4703 1 18 . 1 1 32 32 ILE H H 32 8.949 8.949 8.407 0.542 19544 4704 1 18 . 1 1 33 33 GLY N N 33 112.581 112.581 113.302 -0.721 19544 4705 1 18 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.322 1.272 19544 4706 1 18 . 1 1 33 33 GLY H H 33 9.127 9.127 8.787 0.340 19544 4707 1 18 . 1 1 34 34 ILE N N 34 124.726 124.726 120.528 4.198 19544 4708 1 18 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.736 0.094 19544 4709 1 18 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.179 0.771 19544 4710 1 18 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.387 -1.083 19544 4711 1 18 . 1 1 34 34 ILE H H 34 9.599 9.599 8.343 1.256 19544 4712 1 18 . 1 1 35 35 ASN N N 35 129.529 129.529 124.073 5.456 19544 4713 1 18 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.972 0.123 19544 4714 1 18 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.462 -0.462 19544 4715 1 18 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.365 -0.217 19544 4716 1 18 . 1 1 35 35 ASN H H 35 9.035 9.035 8.839 0.196 19544 4717 1 18 . 1 1 36 36 ALA N N 36 125.575 125.575 127.407 -1.832 19544 4718 1 18 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.224 -0.164 19544 4719 1 18 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.345 -0.029 19544 4720 1 18 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.045 -1.147 19544 4721 1 18 . 1 1 36 36 ALA H H 36 8.231 8.231 8.117 0.114 19544 4722 1 18 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.520 -0.108 19544 4723 1 18 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.143 0.757 19544 4724 1 18 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.856 -0.531 19544 4725 1 18 . 1 1 38 38 LYS N N 38 121.064 121.064 121.764 -0.700 19544 4726 1 18 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.049 -0.256 19544 4727 1 18 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.714 1.084 19544 4728 1 18 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.707 0.136 19544 4729 1 18 . 1 1 38 38 LYS H H 38 8.555 8.555 8.461 0.094 19544 4730 1 18 . 1 1 39 39 ASP N N 39 113.867 113.867 118.567 -4.700 19544 4731 1 18 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.494 -0.140 19544 4732 1 18 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.799 -0.844 19544 4733 1 18 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.118 -1.406 19544 4734 1 18 . 1 1 39 39 ASP H H 39 8.159 8.159 8.222 -0.063 19544 4735 1 18 . 1 1 40 40 VAL N N 40 122.635 122.635 114.328 8.307 19544 4736 1 18 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.465 -0.495 19544 4737 1 18 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.782 2.024 19544 4738 1 18 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.517 -3.545 19544 4739 1 18 . 1 1 40 40 VAL H H 40 8.050 8.050 7.451 0.599 19544 4740 1 18 . 1 1 41 41 ALA N N 41 133.705 133.705 126.217 7.488 19544 4741 1 18 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.842 -0.387 19544 4742 1 18 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.191 0.953 19544 4743 1 18 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.990 -1.069 19544 4744 1 18 . 1 1 41 41 ALA H H 41 8.917 8.917 8.269 0.648 19544 4745 1 18 . 1 1 42 42 VAL N N 42 125.251 125.251 120.477 4.774 19544 4746 1 18 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.259 0.140 19544 4747 1 18 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.490 -0.903 19544 4748 1 18 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.187 0.385 19544 4749 1 18 . 1 1 42 42 VAL H H 42 7.870 7.870 7.870 0.000 19544 4750 1 18 . 1 1 43 43 HIS N N 43 118.702 118.702 124.238 -5.536 19544 4751 1 18 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.868 0.681 19544 4752 1 18 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.317 -1.574 19544 4753 1 18 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.953 5.831 19544 4754 1 18 . 1 1 43 43 HIS H H 43 8.605 8.605 8.304 0.301 19544 4755 1 18 . 1 1 44 44 ARG N N 44 121.777 121.777 121.397 0.380 19544 4756 1 18 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.322 -0.363 19544 4757 1 18 . 1 1 44 44 ARG CA C 44 58.185 58.185 56.103 2.082 19544 4758 1 18 . 1 1 44 44 ARG H H 44 8.395 8.395 8.708 -0.313 19544 4759 1 18 . 1 1 45 45 GLU N N 45 125.983 125.983 122.275 3.708 19544 4760 1 18 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.139 0.270 19544 4761 1 18 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.679 0.208 19544 4762 1 18 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.783 0.161 19544 4763 1 18 . 1 1 45 45 GLU H H 45 7.926 7.926 8.951 -1.025 19544 4764 1 18 . 1 1 46 46 GLU N N 46 118.177 118.177 116.890 1.287 19544 4765 1 18 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.234 0.017 19544 4766 1 18 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.209 0.364 19544 4767 1 18 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.187 -2.337 19544 4768 1 18 . 1 1 46 46 GLU H H 46 10.750 10.750 8.732 2.018 19544 4769 1 18 . 1 1 47 47 ILE N N 47 122.609 122.609 119.113 3.496 19544 4770 1 18 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.155 -0.415 19544 4771 1 18 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.678 -0.129 19544 4772 1 18 . 1 1 47 47 ILE CB C 47 34.717 34.717 38.924 -4.207 19544 4773 1 18 . 1 1 47 47 ILE H H 47 7.166 7.166 7.530 -0.364 19544 4774 1 18 . 1 1 48 48 TYR N N 48 122.090 122.090 122.813 -0.723 19544 4775 1 18 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.982 -0.370 19544 4776 1 18 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.217 1.093 19544 4777 1 18 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.002 1.046 19544 4778 1 18 . 1 1 48 48 TYR H H 48 8.113 8.113 8.788 -0.675 19544 4779 1 18 . 1 1 49 49 GLN N N 49 114.980 114.980 116.651 -1.671 19544 4780 1 18 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.724 0.120 19544 4781 1 18 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.851 0.714 19544 4782 1 18 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.520 -0.417 19544 4783 1 18 . 1 1 49 49 GLN H H 49 8.573 8.573 7.903 0.670 19544 4784 1 18 . 1 1 50 50 ARG N N 50 120.374 120.374 119.753 0.621 19544 4785 1 18 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.104 -0.140 19544 4786 1 18 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.822 0.331 19544 4787 1 18 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.854 -0.445 19544 4788 1 18 . 1 1 50 50 ARG H H 50 7.176 7.176 7.759 -0.583 19544 4789 1 18 . 1 1 51 51 ILE N N 51 120.770 120.770 119.116 1.654 19544 4790 1 18 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.751 -0.183 19544 4791 1 18 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.870 0.804 19544 4792 1 18 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.570 0.509 19544 4793 1 18 . 1 1 51 51 ILE H H 51 7.993 7.993 7.465 0.528 19544 4794 1 18 . 1 1 52 52 GLN N N 52 118.553 118.553 116.571 1.982 19544 4795 1 18 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.279 -0.492 19544 4796 1 18 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.610 1.843 19544 4797 1 18 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.616 -0.575 19544 4798 1 18 . 1 1 52 52 GLN H H 52 7.927 7.927 7.477 0.450 19544 4799 1 18 . 1 1 53 53 ALA N N 53 120.448 120.448 120.587 -0.139 19544 4800 1 18 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.617 -0.458 19544 4801 1 18 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.000 1.176 19544 4802 1 18 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.063 -2.644 19544 4803 1 18 . 1 1 53 53 ALA H H 53 7.600 7.600 7.707 -0.107 19544 4804 1 18 . 1 1 54 54 GLY N N 54 105.491 105.491 106.793 -1.302 19544 4805 1 18 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.959 0.558 19544 4806 1 18 . 1 1 54 54 GLY H H 54 7.671 7.671 7.885 -0.214 19544 4807 1 18 . 1 1 55 55 LEU N N 55 120.780 120.780 115.979 4.801 19544 4808 1 18 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.572 -0.260 19544 4809 1 18 . 1 1 55 55 LEU CA C 55 54.840 54.840 55.557 -0.717 19544 4810 1 18 . 1 1 55 55 LEU CB C 55 42.133 42.133 42.093 0.040 19544 4811 1 18 . 1 1 55 55 LEU H H 55 7.640 7.640 8.365 -0.725 19544 4812 1 18 . 1 1 56 56 THR N N 56 113.308 113.308 111.525 1.783 19544 4813 1 18 . 1 1 56 56 THR HA H 56 4.271 4.271 4.088 0.183 19544 4814 1 18 . 1 1 56 56 THR CA C 56 61.302 61.302 62.735 -1.433 19544 4815 1 18 . 1 1 56 56 THR CB C 56 69.901 69.901 68.421 1.480 19544 4816 1 18 . 1 1 56 56 THR H H 56 7.788 7.788 7.905 -0.117 19544 4817 1 18 . 1 1 57 57 ALA N N 57 127.382 127.382 123.020 4.362 19544 4818 1 18 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.274 0.234 19544 4819 1 18 . 1 1 57 57 ALA CA C 57 50.519 50.519 52.743 -2.224 19544 4820 1 18 . 1 1 57 57 ALA CB C 57 18.234 18.234 18.058 0.176 19544 4821 1 18 . 1 1 57 57 ALA H H 57 8.072 8.072 7.986 0.086 19544 4822 1 18 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.378 -0.063 19544 4823 1 18 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.780 0.569 19544 4824 1 18 . 1 1 58 58 PRO CB C 58 31.892 31.892 31.895 -0.003 19544 4825 1 19 . 1 1 2 2 LEU N N 2 124.411 124.411 128.341 -3.930 19544 4826 1 19 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.827 -0.393 19544 4827 1 19 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.039 -0.763 19544 4828 1 19 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.959 -0.759 19544 4829 1 19 . 1 1 2 2 LEU H H 2 8.389 8.389 8.555 -0.166 19544 4830 1 19 . 1 1 3 3 ILE N N 3 130.539 130.539 124.227 6.312 19544 4831 1 19 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.226 0.701 19544 4832 1 19 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.257 -1.103 19544 4833 1 19 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.651 -0.817 19544 4834 1 19 . 1 1 3 3 ILE H H 3 10.459 10.459 8.378 2.081 19544 4835 1 19 . 1 1 4 4 LEU N N 4 123.187 123.187 125.607 -2.420 19544 4836 1 19 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.722 0.138 19544 4837 1 19 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.716 -1.262 19544 4838 1 19 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.033 1.566 19544 4839 1 19 . 1 1 4 4 LEU H H 4 8.600 8.600 8.231 0.369 19544 4840 1 19 . 1 1 5 5 THR N N 5 116.018 116.018 115.518 0.500 19544 4841 1 19 . 1 1 5 5 THR HA H 5 5.507 5.507 4.712 0.795 19544 4842 1 19 . 1 1 5 5 THR CA C 5 60.401 60.401 61.513 -1.112 19544 4843 1 19 . 1 1 5 5 THR CB C 5 69.984 69.984 69.764 0.220 19544 4844 1 19 . 1 1 5 5 THR H H 5 9.416 9.416 8.222 1.194 19544 4845 1 19 . 1 1 6 6 ARG N N 6 123.849 123.849 121.802 2.047 19544 4846 1 19 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.662 0.351 19544 4847 1 19 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.296 0.238 19544 4848 1 19 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.176 6.607 19544 4849 1 19 . 1 1 6 6 ARG H H 6 9.336 9.336 8.246 1.090 19544 4850 1 19 . 1 1 7 7 LYS N N 7 123.068 123.068 121.542 1.526 19544 4851 1 19 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.483 0.616 19544 4852 1 19 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.409 -1.339 19544 4853 1 19 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.152 0.192 19544 4854 1 19 . 1 1 7 7 LYS H H 7 9.381 9.381 9.053 0.328 19544 4855 1 19 . 1 1 8 8 VAL N N 8 118.072 118.072 118.775 -0.703 19544 4856 1 19 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.697 -0.393 19544 4857 1 19 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.471 2.357 19544 4858 1 19 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.767 -0.195 19544 4859 1 19 . 1 1 8 8 VAL H H 8 7.682 7.682 8.092 -0.410 19544 4860 1 19 . 1 1 9 9 GLY N N 9 115.704 115.704 113.057 2.647 19544 4861 1 19 . 1 1 9 9 GLY CA C 9 44.535 44.535 45.108 -0.573 19544 4862 1 19 . 1 1 9 9 GLY H H 9 9.252 9.252 9.190 0.062 19544 4863 1 19 . 1 1 10 10 GLU N N 10 119.256 119.256 119.688 -0.432 19544 4864 1 19 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.686 0.201 19544 4865 1 19 . 1 1 10 10 GLU CA C 10 55.758 55.758 55.015 0.743 19544 4866 1 19 . 1 1 10 10 GLU CB C 10 32.851 32.851 31.632 1.219 19544 4867 1 19 . 1 1 10 10 GLU H H 10 8.332 8.332 7.870 0.462 19544 4868 1 19 . 1 1 11 11 SER N N 11 112.505 112.505 113.647 -1.142 19544 4869 1 19 . 1 1 11 11 SER HA H 11 5.879 5.879 5.372 0.507 19544 4870 1 19 . 1 1 11 11 SER CA C 11 57.963 57.963 57.289 0.674 19544 4871 1 19 . 1 1 11 11 SER CB C 11 66.878 66.878 66.025 0.853 19544 4872 1 19 . 1 1 11 11 SER H H 11 8.661 8.661 8.453 0.208 19544 4873 1 19 . 1 1 12 12 ILE N N 12 124.635 124.635 121.226 3.409 19544 4874 1 19 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.493 -0.123 19544 4875 1 19 . 1 1 12 12 ILE CA C 12 59.939 59.939 59.790 0.149 19544 4876 1 19 . 1 1 12 12 ILE CB C 12 42.722 42.722 43.163 -0.441 19544 4877 1 19 . 1 1 12 12 ILE H H 12 9.320 9.320 8.749 0.571 19544 4878 1 19 . 1 1 13 13 ASN N N 13 126.113 126.113 119.983 6.130 19544 4879 1 19 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.036 -0.047 19544 4880 1 19 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.694 0.733 19544 4881 1 19 . 1 1 13 13 ASN CB C 13 41.434 41.434 42.114 -0.680 19544 4882 1 19 . 1 1 13 13 ASN H H 13 9.349 9.349 8.463 0.886 19544 4883 1 19 . 1 1 14 14 ILE N N 14 123.849 123.849 121.011 2.838 19544 4884 1 19 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.459 -0.000 19544 4885 1 19 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.629 -0.063 19544 4886 1 19 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.767 -3.239 19544 4887 1 19 . 1 1 14 14 ILE H H 14 8.417 8.417 8.361 0.056 19544 4888 1 19 . 1 1 15 15 GLY N N 15 115.401 115.401 112.835 2.566 19544 4889 1 19 . 1 1 15 15 GLY CA C 15 45.936 45.936 45.985 -0.049 19544 4890 1 19 . 1 1 15 15 GLY H H 15 9.100 9.100 8.607 0.493 19544 4891 1 19 . 1 1 16 16 ASP N N 16 120.669 120.669 122.584 -1.915 19544 4892 1 19 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.734 0.202 19544 4893 1 19 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.283 0.916 19544 4894 1 19 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.449 0.937 19544 4895 1 19 . 1 1 16 16 ASP H H 16 8.754 8.754 8.374 0.380 19544 4896 1 19 . 1 1 17 17 ASP N N 17 115.502 115.502 119.781 -4.279 19544 4897 1 19 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.844 -0.107 19544 4898 1 19 . 1 1 17 17 ASP CA C 17 54.077 54.077 54.036 0.041 19544 4899 1 19 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.784 -1.280 19544 4900 1 19 . 1 1 17 17 ASP H H 17 8.143 8.143 7.980 0.163 19544 4901 1 19 . 1 1 18 18 ILE N N 18 118.662 118.662 120.052 -1.390 19544 4902 1 19 . 1 1 18 18 ILE HA H 18 5.221 5.221 4.974 0.247 19544 4903 1 19 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.340 -0.335 19544 4904 1 19 . 1 1 18 18 ILE CB C 18 39.650 39.650 41.980 -2.330 19544 4905 1 19 . 1 1 18 18 ILE H H 18 7.177 7.177 7.668 -0.491 19544 4906 1 19 . 1 1 19 19 THR N N 19 122.983 122.983 121.171 1.812 19544 4907 1 19 . 1 1 19 19 THR HA H 19 5.119 5.119 4.993 0.126 19544 4908 1 19 . 1 1 19 19 THR CA C 19 60.918 60.918 61.386 -0.469 19544 4909 1 19 . 1 1 19 19 THR CB C 19 71.715 71.715 72.118 -0.403 19544 4910 1 19 . 1 1 19 19 THR H H 19 8.953 8.953 8.738 0.215 19544 4911 1 19 . 1 1 20 20 ILE N N 20 123.406 123.406 121.917 1.489 19544 4912 1 19 . 1 1 20 20 ILE HA H 20 4.925 4.925 4.941 -0.016 19544 4913 1 19 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.029 -0.175 19544 4914 1 19 . 1 1 20 20 ILE CB C 20 40.376 40.376 41.672 -1.296 19544 4915 1 19 . 1 1 20 20 ILE H H 20 8.934 8.934 9.037 -0.103 19544 4916 1 19 . 1 1 21 21 THR N N 21 123.706 123.706 119.364 4.342 19544 4917 1 19 . 1 1 21 21 THR HA H 21 4.843 4.843 5.067 -0.224 19544 4918 1 19 . 1 1 21 21 THR CA C 21 61.530 61.530 61.147 0.383 19544 4919 1 19 . 1 1 21 21 THR CB C 21 71.954 71.954 72.267 -0.313 19544 4920 1 19 . 1 1 21 21 THR H H 21 9.413 9.413 8.964 0.449 19544 4921 1 19 . 1 1 22 22 ILE N N 22 125.648 125.648 125.542 0.106 19544 4922 1 19 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.552 -0.442 19544 4923 1 19 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.656 0.431 19544 4924 1 19 . 1 1 22 22 ILE CB C 22 33.926 33.926 38.712 -4.786 19544 4925 1 19 . 1 1 22 22 ILE H H 22 8.081 8.081 8.266 -0.185 19544 4926 1 19 . 1 1 23 23 LEU N N 23 129.374 129.374 128.688 0.686 19544 4927 1 19 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.309 0.220 19544 4928 1 19 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.381 -0.807 19544 4929 1 19 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.810 0.875 19544 4930 1 19 . 1 1 23 23 LEU H H 23 8.819 8.819 8.544 0.275 19544 4931 1 19 . 1 1 24 24 GLY N N 24 104.611 104.611 103.868 0.743 19544 4932 1 19 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.709 1.196 19544 4933 1 19 . 1 1 24 24 GLY H H 24 7.537 7.537 7.551 -0.014 19544 4934 1 19 . 1 1 25 25 VAL N N 25 120.900 120.900 116.600 4.300 19544 4935 1 19 . 1 1 25 25 VAL HA H 25 4.654 4.654 5.128 -0.474 19544 4936 1 19 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.622 2.855 19544 4937 1 19 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.696 0.045 19544 4938 1 19 . 1 1 25 25 VAL H H 25 8.454 8.454 8.302 0.152 19544 4939 1 19 . 1 1 26 26 SER N N 26 121.619 121.619 117.800 3.819 19544 4940 1 19 . 1 1 26 26 SER HA H 26 4.676 4.676 4.625 0.051 19544 4941 1 19 . 1 1 26 26 SER CA C 26 56.360 56.360 58.113 -1.753 19544 4942 1 19 . 1 1 26 26 SER CB C 26 63.802 63.802 64.925 -1.123 19544 4943 1 19 . 1 1 26 26 SER H H 26 8.571 8.571 8.565 0.007 19544 4944 1 19 . 1 1 27 27 GLY N N 27 118.284 118.284 116.337 1.947 19544 4945 1 19 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.766 0.649 19544 4946 1 19 . 1 1 27 27 GLY H H 27 9.023 9.023 8.686 0.337 19544 4947 1 19 . 1 1 28 28 GLN N N 28 124.398 124.398 122.955 1.443 19544 4948 1 19 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.511 -0.221 19544 4949 1 19 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.378 -0.166 19544 4950 1 19 . 1 1 28 28 GLN CB C 28 29.553 29.553 30.411 -0.858 19544 4951 1 19 . 1 1 28 28 GLN H H 28 8.776 8.776 8.524 0.252 19544 4952 1 19 . 1 1 29 29 GLN N N 29 117.501 117.501 120.959 -3.458 19544 4953 1 19 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.288 0.342 19544 4954 1 19 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.267 -0.973 19544 4955 1 19 . 1 1 29 29 GLN CB C 29 31.682 31.682 29.927 1.755 19544 4956 1 19 . 1 1 29 29 GLN H H 29 8.289 8.289 8.096 0.193 19544 4957 1 19 . 1 1 30 30 VAL N N 30 124.451 124.451 121.184 3.267 19544 4958 1 19 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.499 0.079 19544 4959 1 19 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.479 -1.015 19544 4960 1 19 . 1 1 30 30 VAL CB C 30 34.413 34.413 33.076 1.337 19544 4961 1 19 . 1 1 30 30 VAL H H 30 9.174 9.174 8.375 0.799 19544 4962 1 19 . 1 1 31 31 ARG N N 31 128.251 128.251 128.351 -0.100 19544 4963 1 19 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.429 0.208 19544 4964 1 19 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.788 -0.286 19544 4965 1 19 . 1 1 31 31 ARG CB C 31 31.826 31.826 29.838 1.988 19544 4966 1 19 . 1 1 31 31 ARG H H 31 8.765 8.765 8.466 0.299 19544 4967 1 19 . 1 1 32 32 ILE N N 32 127.573 127.573 123.845 3.728 19544 4968 1 19 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.604 0.056 19544 4969 1 19 . 1 1 32 32 ILE CA C 32 59.568 59.568 60.125 -0.557 19544 4970 1 19 . 1 1 32 32 ILE CB C 32 41.055 41.055 39.728 1.327 19544 4971 1 19 . 1 1 32 32 ILE H H 32 8.949 8.949 7.855 1.094 19544 4972 1 19 . 1 1 33 33 GLY N N 33 112.581 112.581 113.503 -0.922 19544 4973 1 19 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.804 0.790 19544 4974 1 19 . 1 1 33 33 GLY H H 33 9.127 9.127 8.945 0.182 19544 4975 1 19 . 1 1 34 34 ILE N N 34 124.726 124.726 120.810 3.916 19544 4976 1 19 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.698 0.132 19544 4977 1 19 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.232 0.718 19544 4978 1 19 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.493 -1.189 19544 4979 1 19 . 1 1 34 34 ILE H H 34 9.599 9.599 8.179 1.420 19544 4980 1 19 . 1 1 35 35 ASN N N 35 129.529 129.529 124.142 5.387 19544 4981 1 19 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.980 0.115 19544 4982 1 19 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.370 -0.370 19544 4983 1 19 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.291 -0.143 19544 4984 1 19 . 1 1 35 35 ASN H H 35 9.035 9.035 8.911 0.124 19544 4985 1 19 . 1 1 36 36 ALA N N 36 125.575 125.575 127.955 -2.380 19544 4986 1 19 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.156 -0.096 19544 4987 1 19 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.426 -0.110 19544 4988 1 19 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.005 -1.107 19544 4989 1 19 . 1 1 36 36 ALA H H 36 8.231 8.231 8.133 0.098 19544 4990 1 19 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.534 -0.122 19544 4991 1 19 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.118 0.782 19544 4992 1 19 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.711 -0.386 19544 4993 1 19 . 1 1 38 38 LYS N N 38 121.064 121.064 121.746 -0.682 19544 4994 1 19 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.049 -0.256 19544 4995 1 19 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.721 1.077 19544 4996 1 19 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.714 0.129 19544 4997 1 19 . 1 1 38 38 LYS H H 38 8.555 8.555 8.459 0.096 19544 4998 1 19 . 1 1 39 39 ASP N N 39 113.867 113.867 118.592 -4.725 19544 4999 1 19 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.497 -0.143 19544 5000 1 19 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.781 -0.826 19544 5001 1 19 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.120 -1.408 19544 5002 1 19 . 1 1 39 39 ASP H H 39 8.159 8.159 8.215 -0.056 19544 5003 1 19 . 1 1 40 40 VAL N N 40 122.635 122.635 114.359 8.276 19544 5004 1 19 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.471 -0.501 19544 5005 1 19 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.801 2.005 19544 5006 1 19 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.530 -3.558 19544 5007 1 19 . 1 1 40 40 VAL H H 40 8.050 8.050 7.464 0.586 19544 5008 1 19 . 1 1 41 41 ALA N N 41 133.705 133.705 126.107 7.598 19544 5009 1 19 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.854 -0.399 19544 5010 1 19 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.142 1.002 19544 5011 1 19 . 1 1 41 41 ALA CB C 41 18.921 18.921 20.076 -1.155 19544 5012 1 19 . 1 1 41 41 ALA H H 41 8.917 8.917 8.264 0.653 19544 5013 1 19 . 1 1 42 42 VAL N N 42 125.251 125.251 120.426 4.825 19544 5014 1 19 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.276 0.123 19544 5015 1 19 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.416 -0.829 19544 5016 1 19 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.230 0.342 19544 5017 1 19 . 1 1 42 42 VAL H H 42 7.870 7.870 7.894 -0.024 19544 5018 1 19 . 1 1 43 43 HIS N N 43 118.702 118.702 124.392 -5.690 19544 5019 1 19 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.936 0.613 19544 5020 1 19 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.393 -1.650 19544 5021 1 19 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.932 5.852 19544 5022 1 19 . 1 1 43 43 HIS H H 43 8.605 8.605 8.295 0.310 19544 5023 1 19 . 1 1 44 44 ARG N N 44 121.777 121.777 121.152 0.625 19544 5024 1 19 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.457 -0.498 19544 5025 1 19 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.727 2.458 19544 5026 1 19 . 1 1 44 44 ARG H H 44 8.395 8.395 8.608 -0.213 19544 5027 1 19 . 1 1 45 45 GLU N N 45 125.983 125.983 121.444 4.539 19544 5028 1 19 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.155 0.254 19544 5029 1 19 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.545 0.342 19544 5030 1 19 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.725 0.219 19544 5031 1 19 . 1 1 45 45 GLU H H 45 7.926 7.926 9.017 -1.091 19544 5032 1 19 . 1 1 46 46 GLU N N 46 118.177 118.177 116.691 1.486 19544 5033 1 19 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.274 -0.023 19544 5034 1 19 . 1 1 46 46 GLU CA C 46 58.573 58.573 57.762 0.811 19544 5035 1 19 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.376 -2.526 19544 5036 1 19 . 1 1 46 46 GLU H H 46 10.750 10.750 8.667 2.083 19544 5037 1 19 . 1 1 47 47 ILE N N 47 122.609 122.609 119.034 3.575 19544 5038 1 19 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.175 -0.434 19544 5039 1 19 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.918 -0.369 19544 5040 1 19 . 1 1 47 47 ILE CB C 47 34.717 34.717 39.060 -4.343 19544 5041 1 19 . 1 1 47 47 ILE H H 47 7.166 7.166 7.775 -0.609 19544 5042 1 19 . 1 1 48 48 TYR N N 48 122.090 122.090 122.113 -0.023 19544 5043 1 19 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.880 -0.268 19544 5044 1 19 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.406 0.904 19544 5045 1 19 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.152 0.895 19544 5046 1 19 . 1 1 48 48 TYR H H 48 8.113 8.113 8.824 -0.711 19544 5047 1 19 . 1 1 49 49 GLN N N 49 114.980 114.980 115.601 -0.621 19544 5048 1 19 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.621 0.223 19544 5049 1 19 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.873 0.692 19544 5050 1 19 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.357 -0.254 19544 5051 1 19 . 1 1 49 49 GLN H H 49 8.573 8.573 8.000 0.573 19544 5052 1 19 . 1 1 50 50 ARG N N 50 120.374 120.374 119.815 0.559 19544 5053 1 19 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.044 -0.080 19544 5054 1 19 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.758 0.395 19544 5055 1 19 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.167 0.242 19544 5056 1 19 . 1 1 50 50 ARG H H 50 7.176 7.176 7.483 -0.307 19544 5057 1 19 . 1 1 51 51 ILE N N 51 120.770 120.770 120.254 0.516 19544 5058 1 19 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.710 -0.142 19544 5059 1 19 . 1 1 51 51 ILE CA C 51 64.674 64.674 64.114 0.560 19544 5060 1 19 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.478 0.601 19544 5061 1 19 . 1 1 51 51 ILE H H 51 7.993 7.993 7.586 0.407 19544 5062 1 19 . 1 1 52 52 GLN N N 52 118.553 118.553 117.254 1.299 19544 5063 1 19 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.140 -0.353 19544 5064 1 19 . 1 1 52 52 GLN CA C 52 57.453 57.453 56.273 1.180 19544 5065 1 19 . 1 1 52 52 GLN CB C 52 28.040 28.040 27.321 0.719 19544 5066 1 19 . 1 1 52 52 GLN H H 52 7.927 7.927 7.456 0.471 19544 5067 1 19 . 1 1 53 53 ALA N N 53 120.448 120.448 120.490 -0.042 19544 5068 1 19 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.342 -0.183 19544 5069 1 19 . 1 1 53 53 ALA CA C 53 53.176 53.176 51.843 1.333 19544 5070 1 19 . 1 1 53 53 ALA CB C 53 18.419 18.419 19.623 -1.204 19544 5071 1 19 . 1 1 53 53 ALA H H 53 7.600 7.600 7.395 0.205 19544 5072 1 19 . 1 1 54 54 GLY N N 54 105.491 105.491 107.717 -2.226 19544 5073 1 19 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.111 0.406 19544 5074 1 19 . 1 1 54 54 GLY H H 54 7.671 7.671 7.464 0.207 19544 5075 1 19 . 1 1 55 55 LEU N N 55 120.780 120.780 118.890 1.890 19544 5076 1 19 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.702 -0.390 19544 5077 1 19 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.369 0.471 19544 5078 1 19 . 1 1 55 55 LEU CB C 55 42.133 42.133 42.325 -0.192 19544 5079 1 19 . 1 1 55 55 LEU H H 55 7.640 7.640 8.137 -0.497 19544 5080 1 19 . 1 1 56 56 THR N N 56 113.308 113.308 115.454 -2.146 19544 5081 1 19 . 1 1 56 56 THR HA H 56 4.271 4.271 4.418 -0.147 19544 5082 1 19 . 1 1 56 56 THR CA C 56 61.302 61.302 62.005 -0.703 19544 5083 1 19 . 1 1 56 56 THR CB C 56 69.901 69.901 69.117 0.784 19544 5084 1 19 . 1 1 56 56 THR H H 56 7.788 7.788 8.136 -0.348 19544 5085 1 19 . 1 1 57 57 ALA N N 57 127.382 127.382 123.866 3.516 19544 5086 1 19 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.049 0.459 19544 5087 1 19 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.724 -1.205 19544 5088 1 19 . 1 1 57 57 ALA CB C 57 18.234 18.234 17.565 0.669 19544 5089 1 19 . 1 1 57 57 ALA H H 57 8.072 8.072 8.082 -0.010 19544 5090 1 19 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.309 0.006 19544 5091 1 19 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.395 0.954 19544 5092 1 19 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.395 -0.503 19544 5093 1 20 . 1 1 2 2 LEU N N 2 124.411 124.411 128.021 -3.610 19544 5094 1 20 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.818 -0.384 19544 5095 1 20 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.064 -0.788 19544 5096 1 20 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.910 -0.711 19544 5097 1 20 . 1 1 2 2 LEU H H 2 8.389 8.389 8.552 -0.163 19544 5098 1 20 . 1 1 3 3 ILE N N 3 130.539 130.539 124.210 6.329 19544 5099 1 20 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.199 0.728 19544 5100 1 20 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.346 -1.192 19544 5101 1 20 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.602 -0.768 19544 5102 1 20 . 1 1 3 3 ILE H H 3 10.459 10.459 8.374 2.085 19544 5103 1 20 . 1 1 4 4 LEU N N 4 123.187 123.187 125.303 -2.116 19544 5104 1 20 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.738 0.122 19544 5105 1 20 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.854 -1.400 19544 5106 1 20 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.097 1.502 19544 5107 1 20 . 1 1 4 4 LEU H H 4 8.600 8.600 8.193 0.407 19544 5108 1 20 . 1 1 5 5 THR N N 5 116.018 116.018 114.006 2.012 19544 5109 1 20 . 1 1 5 5 THR HA H 5 5.507 5.507 4.617 0.890 19544 5110 1 20 . 1 1 5 5 THR CA C 5 60.401 60.401 61.315 -0.914 19544 5111 1 20 . 1 1 5 5 THR CB C 5 69.984 69.984 69.879 0.105 19544 5112 1 20 . 1 1 5 5 THR H H 5 9.416 9.416 8.202 1.214 19544 5113 1 20 . 1 1 6 6 ARG N N 6 123.849 123.849 122.419 1.430 19544 5114 1 20 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.803 0.210 19544 5115 1 20 . 1 1 6 6 ARG CA C 6 55.534 55.534 54.808 0.726 19544 5116 1 20 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.737 6.046 19544 5117 1 20 . 1 1 6 6 ARG H H 6 9.336 9.336 8.445 0.891 19544 5118 1 20 . 1 1 7 7 LYS N N 7 123.068 123.068 122.874 0.194 19544 5119 1 20 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.413 0.686 19544 5120 1 20 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.753 -1.683 19544 5121 1 20 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.016 0.328 19544 5122 1 20 . 1 1 7 7 LYS H H 7 9.381 9.381 9.182 0.199 19544 5123 1 20 . 1 1 8 8 VAL N N 8 118.072 118.072 119.738 -1.666 19544 5124 1 20 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.794 -0.490 19544 5125 1 20 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.283 2.545 19544 5126 1 20 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.399 0.173 19544 5127 1 20 . 1 1 8 8 VAL H H 8 7.682 7.682 8.194 -0.512 19544 5128 1 20 . 1 1 9 9 GLY N N 9 115.704 115.704 114.732 0.972 19544 5129 1 20 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.852 -0.317 19544 5130 1 20 . 1 1 9 9 GLY H H 9 9.252 9.252 9.242 0.010 19544 5131 1 20 . 1 1 10 10 GLU N N 10 119.256 119.256 120.610 -1.354 19544 5132 1 20 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.597 0.290 19544 5133 1 20 . 1 1 10 10 GLU CA C 10 55.758 55.758 55.623 0.135 19544 5134 1 20 . 1 1 10 10 GLU CB C 10 32.851 32.851 31.047 1.804 19544 5135 1 20 . 1 1 10 10 GLU H H 10 8.332 8.332 8.068 0.264 19544 5136 1 20 . 1 1 11 11 SER N N 11 112.505 112.505 112.245 0.260 19544 5137 1 20 . 1 1 11 11 SER HA H 11 5.879 5.879 5.088 0.791 19544 5138 1 20 . 1 1 11 11 SER CA C 11 57.963 57.963 57.523 0.440 19544 5139 1 20 . 1 1 11 11 SER CB C 11 66.878 66.878 66.385 0.493 19544 5140 1 20 . 1 1 11 11 SER H H 11 8.661 8.661 8.368 0.293 19544 5141 1 20 . 1 1 12 12 ILE N N 12 124.635 124.635 120.549 4.086 19544 5142 1 20 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.540 -0.170 19544 5143 1 20 . 1 1 12 12 ILE CA C 12 59.939 59.939 59.810 0.129 19544 5144 1 20 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.627 0.095 19544 5145 1 20 . 1 1 12 12 ILE H H 12 9.320 9.320 8.840 0.480 19544 5146 1 20 . 1 1 13 13 ASN N N 13 126.113 126.113 119.910 6.203 19544 5147 1 20 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.020 -0.031 19544 5148 1 20 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.706 0.721 19544 5149 1 20 . 1 1 13 13 ASN CB C 13 41.434 41.434 42.224 -0.790 19544 5150 1 20 . 1 1 13 13 ASN H H 13 9.349 9.349 8.460 0.889 19544 5151 1 20 . 1 1 14 14 ILE N N 14 123.849 123.849 121.264 2.585 19544 5152 1 20 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.457 0.002 19544 5153 1 20 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.648 -0.082 19544 5154 1 20 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.626 -3.098 19544 5155 1 20 . 1 1 14 14 ILE H H 14 8.417 8.417 8.390 0.027 19544 5156 1 20 . 1 1 15 15 GLY N N 15 115.401 115.401 112.877 2.524 19544 5157 1 20 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.373 -0.437 19544 5158 1 20 . 1 1 15 15 GLY H H 15 9.100 9.100 8.577 0.523 19544 5159 1 20 . 1 1 16 16 ASP N N 16 120.669 120.669 121.661 -0.992 19544 5160 1 20 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.731 0.205 19544 5161 1 20 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.360 0.839 19544 5162 1 20 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.395 0.991 19544 5163 1 20 . 1 1 16 16 ASP H H 16 8.754 8.754 8.275 0.479 19544 5164 1 20 . 1 1 17 17 ASP N N 17 115.502 115.502 118.974 -3.472 19544 5165 1 20 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.773 -0.036 19544 5166 1 20 . 1 1 17 17 ASP CA C 17 54.077 54.077 53.943 0.134 19544 5167 1 20 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.711 -1.207 19544 5168 1 20 . 1 1 17 17 ASP H H 17 8.143 8.143 7.971 0.172 19544 5169 1 20 . 1 1 18 18 ILE N N 18 118.662 118.662 119.955 -1.293 19544 5170 1 20 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.030 0.191 19544 5171 1 20 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.320 -0.315 19544 5172 1 20 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.093 -2.443 19544 5173 1 20 . 1 1 18 18 ILE H H 18 7.177 7.177 7.651 -0.474 19544 5174 1 20 . 1 1 19 19 THR N N 19 122.983 122.983 120.889 2.094 19544 5175 1 20 . 1 1 19 19 THR HA H 19 5.119 5.119 4.960 0.159 19544 5176 1 20 . 1 1 19 19 THR CA C 19 60.918 60.918 61.402 -0.484 19544 5177 1 20 . 1 1 19 19 THR CB C 19 71.715 71.715 72.115 -0.400 19544 5178 1 20 . 1 1 19 19 THR H H 19 8.953 8.953 8.630 0.323 19544 5179 1 20 . 1 1 20 20 ILE N N 20 123.406 123.406 121.815 1.591 19544 5180 1 20 . 1 1 20 20 ILE HA H 20 4.925 4.925 5.073 -0.148 19544 5181 1 20 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.061 -0.207 19544 5182 1 20 . 1 1 20 20 ILE CB C 20 40.376 40.376 42.032 -1.656 19544 5183 1 20 . 1 1 20 20 ILE H H 20 8.934 8.934 9.142 -0.208 19544 5184 1 20 . 1 1 21 21 THR N N 21 123.706 123.706 120.684 3.022 19544 5185 1 20 . 1 1 21 21 THR HA H 21 4.843 4.843 4.844 -0.001 19544 5186 1 20 . 1 1 21 21 THR CA C 21 61.530 61.530 62.027 -0.497 19544 5187 1 20 . 1 1 21 21 THR CB C 21 71.954 71.954 71.818 0.136 19544 5188 1 20 . 1 1 21 21 THR H H 21 9.413 9.413 8.896 0.517 19544 5189 1 20 . 1 1 22 22 ILE N N 22 125.648 125.648 128.544 -2.896 19544 5190 1 20 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.340 -0.230 19544 5191 1 20 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.925 0.162 19544 5192 1 20 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.663 -3.737 19544 5193 1 20 . 1 1 22 22 ILE H H 22 8.081 8.081 8.302 -0.221 19544 5194 1 20 . 1 1 23 23 LEU N N 23 129.374 129.374 128.584 0.790 19544 5195 1 20 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.215 0.314 19544 5196 1 20 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.354 -0.780 19544 5197 1 20 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.841 0.844 19544 5198 1 20 . 1 1 23 23 LEU H H 23 8.819 8.819 8.245 0.574 19544 5199 1 20 . 1 1 24 24 GLY N N 24 104.611 104.611 103.849 0.762 19544 5200 1 20 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.798 1.107 19544 5201 1 20 . 1 1 24 24 GLY H H 24 7.537 7.537 7.514 0.023 19544 5202 1 20 . 1 1 25 25 VAL N N 25 120.900 120.900 115.813 5.087 19544 5203 1 20 . 1 1 25 25 VAL HA H 25 4.654 4.654 4.770 -0.116 19544 5204 1 20 . 1 1 25 25 VAL CA C 25 61.477 61.477 59.776 1.701 19544 5205 1 20 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.937 -0.196 19544 5206 1 20 . 1 1 25 25 VAL H H 25 8.454 8.454 8.257 0.197 19544 5207 1 20 . 1 1 26 26 SER N N 26 121.619 121.619 117.089 4.530 19544 5208 1 20 . 1 1 26 26 SER HA H 26 4.676 4.676 4.651 0.025 19544 5209 1 20 . 1 1 26 26 SER CA C 26 56.360 56.360 57.772 -1.412 19544 5210 1 20 . 1 1 26 26 SER CB C 26 63.802 63.802 64.440 -0.638 19544 5211 1 20 . 1 1 26 26 SER H H 26 8.571 8.571 8.567 0.004 19544 5212 1 20 . 1 1 27 27 GLY N N 27 118.284 118.284 116.064 2.220 19544 5213 1 20 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.445 0.970 19544 5214 1 20 . 1 1 27 27 GLY H H 27 9.023 9.023 8.684 0.339 19544 5215 1 20 . 1 1 28 28 GLN N N 28 124.398 124.398 124.002 0.396 19544 5216 1 20 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.485 -0.195 19544 5217 1 20 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.460 -0.248 19544 5218 1 20 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.364 0.189 19544 5219 1 20 . 1 1 28 28 GLN H H 28 8.776 8.776 8.589 0.187 19544 5220 1 20 . 1 1 29 29 GLN N N 29 117.501 117.501 119.993 -2.492 19544 5221 1 20 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.348 0.282 19544 5222 1 20 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.797 -0.503 19544 5223 1 20 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.107 1.575 19544 5224 1 20 . 1 1 29 29 GLN H H 29 8.289 8.289 7.610 0.679 19544 5225 1 20 . 1 1 30 30 VAL N N 30 124.451 124.451 120.290 4.161 19544 5226 1 20 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.446 0.132 19544 5227 1 20 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.596 -1.133 19544 5228 1 20 . 1 1 30 30 VAL CB C 30 34.413 34.413 34.036 0.377 19544 5229 1 20 . 1 1 30 30 VAL H H 30 9.174 9.174 8.348 0.826 19544 5230 1 20 . 1 1 31 31 ARG N N 31 128.251 128.251 127.905 0.346 19544 5231 1 20 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.412 0.225 19544 5232 1 20 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.812 -0.311 19544 5233 1 20 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.549 1.277 19544 5234 1 20 . 1 1 31 31 ARG H H 31 8.765 8.765 8.472 0.293 19544 5235 1 20 . 1 1 32 32 ILE N N 32 127.573 127.573 124.903 2.670 19544 5236 1 20 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.678 -0.018 19544 5237 1 20 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.925 -0.357 19544 5238 1 20 . 1 1 32 32 ILE CB C 32 41.055 41.055 40.016 1.039 19544 5239 1 20 . 1 1 32 32 ILE H H 32 8.949 8.949 8.310 0.639 19544 5240 1 20 . 1 1 33 33 GLY N N 33 112.581 112.581 115.086 -2.505 19544 5241 1 20 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.339 1.255 19544 5242 1 20 . 1 1 33 33 GLY H H 33 9.127 9.127 9.048 0.079 19544 5243 1 20 . 1 1 34 34 ILE N N 34 124.726 124.726 120.728 3.998 19544 5244 1 20 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.711 0.119 19544 5245 1 20 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.145 0.805 19544 5246 1 20 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.264 -0.960 19544 5247 1 20 . 1 1 34 34 ILE H H 34 9.599 9.599 8.317 1.282 19544 5248 1 20 . 1 1 35 35 ASN N N 35 129.529 129.529 124.055 5.474 19544 5249 1 20 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.970 0.125 19544 5250 1 20 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.400 -0.400 19544 5251 1 20 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.344 -0.196 19544 5252 1 20 . 1 1 35 35 ASN H H 35 9.035 9.035 8.855 0.180 19544 5253 1 20 . 1 1 36 36 ALA N N 36 125.575 125.575 127.814 -2.239 19544 5254 1 20 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.217 -0.157 19544 5255 1 20 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.126 0.190 19544 5256 1 20 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.230 -1.332 19544 5257 1 20 . 1 1 36 36 ALA H H 36 8.231 8.231 8.165 0.066 19544 5258 1 20 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.633 -0.221 19544 5259 1 20 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.160 0.741 19544 5260 1 20 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.735 -0.410 19544 5261 1 20 . 1 1 38 38 LYS N N 38 121.064 121.064 120.036 1.028 19544 5262 1 20 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.055 -0.262 19544 5263 1 20 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.539 1.259 19544 5264 1 20 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.896 -0.053 19544 5265 1 20 . 1 1 38 38 LYS H H 38 8.555 8.555 8.623 -0.068 19544 5266 1 20 . 1 1 39 39 ASP N N 39 113.867 113.867 118.329 -4.462 19544 5267 1 20 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.531 -0.177 19544 5268 1 20 . 1 1 39 39 ASP CA C 39 53.955 53.955 55.239 -1.284 19544 5269 1 20 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.146 -1.434 19544 5270 1 20 . 1 1 39 39 ASP H H 39 8.159 8.159 8.170 -0.011 19544 5271 1 20 . 1 1 40 40 VAL N N 40 122.635 122.635 114.469 8.166 19544 5272 1 20 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.453 -0.483 19544 5273 1 20 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.741 2.065 19544 5274 1 20 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.414 -3.442 19544 5275 1 20 . 1 1 40 40 VAL H H 40 8.050 8.050 7.519 0.531 19544 5276 1 20 . 1 1 41 41 ALA N N 41 133.705 133.705 124.774 8.931 19544 5277 1 20 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.621 -0.166 19544 5278 1 20 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.349 0.795 19544 5279 1 20 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.633 -0.712 19544 5280 1 20 . 1 1 41 41 ALA H H 41 8.917 8.917 8.228 0.689 19544 5281 1 20 . 1 1 42 42 VAL N N 42 125.251 125.251 120.523 4.728 19544 5282 1 20 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.220 0.179 19544 5283 1 20 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.628 -1.041 19544 5284 1 20 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.291 0.281 19544 5285 1 20 . 1 1 42 42 VAL H H 42 7.870 7.870 7.855 0.015 19544 5286 1 20 . 1 1 43 43 HIS N N 43 118.702 118.702 124.556 -5.854 19544 5287 1 20 . 1 1 43 43 HIS HA H 43 5.549 5.549 5.005 0.544 19544 5288 1 20 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.414 -1.671 19544 5289 1 20 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.976 5.808 19544 5290 1 20 . 1 1 43 43 HIS H H 43 8.605 8.605 8.254 0.351 19544 5291 1 20 . 1 1 44 44 ARG N N 44 121.777 121.777 121.557 0.220 19544 5292 1 20 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.482 -0.523 19544 5293 1 20 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.929 2.256 19544 5294 1 20 . 1 1 44 44 ARG H H 44 8.395 8.395 8.597 -0.202 19544 5295 1 20 . 1 1 45 45 GLU N N 45 125.983 125.983 121.851 4.132 19544 5296 1 20 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.149 0.260 19544 5297 1 20 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.633 0.255 19544 5298 1 20 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.686 0.258 19544 5299 1 20 . 1 1 45 45 GLU H H 45 7.926 7.926 9.040 -1.114 19544 5300 1 20 . 1 1 46 46 GLU N N 46 118.177 118.177 115.614 2.563 19544 5301 1 20 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.267 -0.016 19544 5302 1 20 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.115 0.458 19544 5303 1 20 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.221 -2.371 19544 5304 1 20 . 1 1 46 46 GLU H H 46 10.750 10.750 8.543 2.207 19544 5305 1 20 . 1 1 47 47 ILE N N 47 122.609 122.609 119.362 3.247 19544 5306 1 20 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.206 -0.466 19544 5307 1 20 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.943 -0.394 19544 5308 1 20 . 1 1 47 47 ILE CB C 47 34.717 34.717 38.808 -4.091 19544 5309 1 20 . 1 1 47 47 ILE H H 47 7.166 7.166 7.983 -0.817 19544 5310 1 20 . 1 1 48 48 TYR N N 48 122.090 122.090 121.804 0.286 19544 5311 1 20 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.912 -0.300 19544 5312 1 20 . 1 1 48 48 TYR CA C 48 62.310 62.310 60.948 1.362 19544 5313 1 20 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.046 1.001 19544 5314 1 20 . 1 1 48 48 TYR H H 48 8.113 8.113 8.547 -0.434 19544 5315 1 20 . 1 1 49 49 GLN N N 49 114.980 114.980 116.506 -1.526 19544 5316 1 20 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.665 0.179 19544 5317 1 20 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.755 0.809 19544 5318 1 20 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.469 -0.366 19544 5319 1 20 . 1 1 49 49 GLN H H 49 8.573 8.573 7.919 0.654 19544 5320 1 20 . 1 1 50 50 ARG N N 50 120.374 120.374 120.029 0.345 19544 5321 1 20 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.165 -0.201 19544 5322 1 20 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.443 0.710 19544 5323 1 20 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.649 -0.240 19544 5324 1 20 . 1 1 50 50 ARG H H 50 7.176 7.176 7.575 -0.399 19544 5325 1 20 . 1 1 51 51 ILE N N 51 120.770 120.770 118.978 1.792 19544 5326 1 20 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.797 -0.229 19544 5327 1 20 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.812 0.862 19544 5328 1 20 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.746 0.333 19544 5329 1 20 . 1 1 51 51 ILE H H 51 7.993 7.993 7.561 0.432 19544 5330 1 20 . 1 1 52 52 GLN N N 52 118.553 118.553 116.543 2.010 19544 5331 1 20 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.283 -0.496 19544 5332 1 20 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.574 1.879 19544 5333 1 20 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.825 -0.785 19544 5334 1 20 . 1 1 52 52 GLN H H 52 7.927 7.927 7.493 0.434 19544 5335 1 20 . 1 1 53 53 ALA N N 53 120.448 120.448 120.147 0.301 19544 5336 1 20 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.631 -0.472 19544 5337 1 20 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.060 1.116 19544 5338 1 20 . 1 1 53 53 ALA CB C 53 18.419 18.419 21.025 -2.606 19544 5339 1 20 . 1 1 53 53 ALA H H 53 7.600 7.600 7.807 -0.207 19544 5340 1 20 . 1 1 54 54 GLY N N 54 105.491 105.491 106.676 -1.185 19544 5341 1 20 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.497 0.020 19544 5342 1 20 . 1 1 54 54 GLY H H 54 7.671 7.671 7.854 -0.183 19544 5343 1 20 . 1 1 55 55 LEU N N 55 120.780 120.780 119.829 0.951 19544 5344 1 20 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.844 -0.532 19544 5345 1 20 . 1 1 55 55 LEU CA C 55 54.840 54.840 53.951 0.889 19544 5346 1 20 . 1 1 55 55 LEU CB C 55 42.133 42.133 44.256 -2.123 19544 5347 1 20 . 1 1 55 55 LEU H H 55 7.640 7.640 8.393 -0.753 19544 5348 1 20 . 1 1 56 56 THR N N 56 113.308 113.308 111.710 1.598 19544 5349 1 20 . 1 1 56 56 THR HA H 56 4.271 4.271 4.444 -0.173 19544 5350 1 20 . 1 1 56 56 THR CA C 56 61.302 61.302 62.428 -1.126 19544 5351 1 20 . 1 1 56 56 THR CB C 56 69.901 69.901 69.654 0.247 19544 5352 1 20 . 1 1 56 56 THR H H 56 7.788 7.788 8.142 -0.354 19544 5353 1 20 . 1 1 57 57 ALA N N 57 127.382 127.382 123.514 3.868 19544 5354 1 20 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.602 -0.094 19544 5355 1 20 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.315 -0.796 19544 5356 1 20 . 1 1 57 57 ALA CB C 57 18.234 18.234 18.741 -0.507 19544 5357 1 20 . 1 1 57 57 ALA H H 57 8.072 8.072 7.716 0.356 19544 5358 1 20 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.449 -0.134 19544 5359 1 20 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.630 0.719 19544 5360 1 20 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.254 -0.362 19544 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 55 3.280 -1.051 3.136 19544 2 1 1 "Average Difference" HA 63 0.350 -0.024 0.352 19544 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19544 4 1 1 "Average Difference" CA 57 1.085 -0.143 1.085 19544 5 1 1 "Average Difference" CB 50 1.878 0.229 1.883 19544 6 1 1 "Average Difference" HN 55 0.651 -0.255 0.604 19544 7 1 2 "Average Difference" N 55 3.338 -1.167 3.157 19544 8 1 2 "Average Difference" HA 63 0.361 -0.015 0.364 19544 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19544 10 1 2 "Average Difference" CA 57 1.085 -0.151 1.085 19544 11 1 2 "Average Difference" CB 50 1.878 0.225 1.884 19544 12 1 2 "Average Difference" HN 55 0.659 -0.261 0.610 19544 13 1 3 "Average Difference" N 55 3.263 -1.062 3.114 19544 14 1 3 "Average Difference" HA 63 0.361 -0.008 0.364 19544 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19544 16 1 3 "Average Difference" CA 57 1.136 -0.191 1.130 19544 17 1 3 "Average Difference" CB 50 1.856 0.312 1.848 19544 18 1 3 "Average Difference" HN 55 0.644 -0.257 0.596 19544 19 1 4 "Average Difference" N 55 3.328 -1.126 3.160 19544 20 1 4 "Average Difference" HA 63 0.354 -0.023 0.357 19544 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19544 22 1 4 "Average Difference" CA 57 1.106 -0.173 1.102 19544 23 1 4 "Average Difference" CB 50 1.877 0.245 1.879 19544 24 1 4 "Average Difference" HN 55 0.657 -0.256 0.611 19544 25 1 5 "Average Difference" N 55 3.453 -1.244 3.251 19544 26 1 5 "Average Difference" HA 63 0.347 -0.026 0.349 19544 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19544 28 1 5 "Average Difference" CA 57 1.014 -0.200 1.003 19544 29 1 5 "Average Difference" CB 50 1.848 0.224 1.853 19544 30 1 5 "Average Difference" HN 55 0.642 -0.248 0.597 19544 31 1 6 "Average Difference" N 55 3.451 -1.392 3.187 19544 32 1 6 "Average Difference" HA 63 0.358 -0.030 0.360 19544 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19544 34 1 6 "Average Difference" CA 57 1.047 -0.185 1.040 19544 35 1 6 "Average Difference" CB 50 1.854 0.164 1.866 19544 36 1 6 "Average Difference" HN 55 0.650 -0.264 0.599 19544 37 1 7 "Average Difference" N 55 3.281 -1.069 3.131 19544 38 1 7 "Average Difference" HA 63 0.343 -0.022 0.345 19544 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19544 40 1 7 "Average Difference" CA 57 1.022 -0.151 1.019 19544 41 1 7 "Average Difference" CB 50 1.900 0.264 1.901 19544 42 1 7 "Average Difference" HN 55 0.633 -0.234 0.593 19544 43 1 8 "Average Difference" N 55 3.233 -1.060 3.082 19544 44 1 8 "Average Difference" HA 63 0.365 -0.010 0.368 19544 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19544 46 1 8 "Average Difference" CA 57 1.048 -0.196 1.039 19544 47 1 8 "Average Difference" CB 50 1.883 0.382 1.862 19544 48 1 8 "Average Difference" HN 55 0.656 -0.256 0.609 19544 49 1 9 "Average Difference" N 55 3.229 -1.247 3.006 19544 50 1 9 "Average Difference" HA 63 0.353 -0.002 0.356 19544 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19544 52 1 9 "Average Difference" CA 57 1.069 -0.165 1.066 19544 53 1 9 "Average Difference" CB 50 1.809 0.226 1.813 19544 54 1 9 "Average Difference" HN 55 0.664 -0.250 0.621 19544 55 1 10 "Average Difference" N 55 3.335 -1.113 3.172 19544 56 1 10 "Average Difference" HA 63 0.359 -0.033 0.360 19544 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19544 58 1 10 "Average Difference" CA 57 1.063 -0.120 1.065 19544 59 1 10 "Average Difference" CB 50 1.901 0.194 1.910 19544 60 1 10 "Average Difference" HN 55 0.638 -0.256 0.589 19544 61 1 11 "Average Difference" N 55 3.308 -1.154 3.129 19544 62 1 11 "Average Difference" HA 63 0.353 -0.017 0.355 19544 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19544 64 1 11 "Average Difference" CA 57 1.020 -0.123 1.022 19544 65 1 11 "Average Difference" CB 50 1.881 0.244 1.884 19544 66 1 11 "Average Difference" HN 55 0.638 -0.235 0.598 19544 67 1 12 "Average Difference" N 55 3.265 -1.313 3.017 19544 68 1 12 "Average Difference" HA 63 0.353 -0.010 0.356 19544 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19544 70 1 12 "Average Difference" CA 57 0.977 -0.142 0.975 19544 71 1 12 "Average Difference" CB 50 1.911 0.242 1.915 19544 72 1 12 "Average Difference" HN 55 0.668 -0.252 0.624 19544 73 1 13 "Average Difference" N 55 3.281 -1.085 3.125 19544 74 1 13 "Average Difference" HA 63 0.363 -0.005 0.366 19544 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19544 76 1 13 "Average Difference" CA 57 1.099 -0.182 1.093 19544 77 1 13 "Average Difference" CB 50 1.888 0.248 1.890 19544 78 1 13 "Average Difference" HN 55 0.621 -0.249 0.574 19544 79 1 14 "Average Difference" N 55 3.381 -1.146 3.210 19544 80 1 14 "Average Difference" HA 63 0.349 -0.024 0.351 19544 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19544 82 1 14 "Average Difference" CA 57 1.064 -0.161 1.061 19544 83 1 14 "Average Difference" CB 50 1.904 0.203 1.913 19544 84 1 14 "Average Difference" HN 55 0.648 -0.252 0.602 19544 85 1 15 "Average Difference" N 55 3.221 -1.157 3.034 19544 86 1 15 "Average Difference" HA 63 0.356 -0.042 0.356 19544 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19544 88 1 15 "Average Difference" CA 57 1.092 -0.122 1.095 19544 89 1 15 "Average Difference" CB 50 1.750 0.189 1.757 19544 90 1 15 "Average Difference" HN 55 0.642 -0.266 0.589 19544 91 1 16 "Average Difference" N 55 3.234 -1.052 3.086 19544 92 1 16 "Average Difference" HA 63 0.350 -0.022 0.352 19544 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19544 94 1 16 "Average Difference" CA 57 1.078 -0.195 1.070 19544 95 1 16 "Average Difference" CB 50 1.880 0.236 1.884 19544 96 1 16 "Average Difference" HN 55 0.642 -0.255 0.594 19544 97 1 17 "Average Difference" N 55 3.325 -1.049 3.184 19544 98 1 17 "Average Difference" HA 63 0.351 -0.032 0.352 19544 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19544 100 1 17 "Average Difference" CA 57 1.076 -0.169 1.072 19544 101 1 17 "Average Difference" CB 50 1.848 0.250 1.850 19544 102 1 17 "Average Difference" HN 55 0.642 -0.254 0.595 19544 103 1 18 "Average Difference" N 55 3.340 -1.217 3.139 19544 104 1 18 "Average Difference" HA 63 0.356 -0.030 0.358 19544 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19544 106 1 18 "Average Difference" CA 57 1.130 -0.151 1.130 19544 107 1 18 "Average Difference" CB 50 1.833 0.223 1.838 19544 108 1 18 "Average Difference" HN 55 0.646 -0.269 0.593 19544 109 1 19 "Average Difference" N 55 3.262 -1.172 3.072 19544 110 1 19 "Average Difference" HA 63 0.343 -0.042 0.343 19544 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19544 112 1 19 "Average Difference" CA 57 1.017 -0.165 1.012 19544 113 1 19 "Average Difference" CB 50 1.949 0.142 1.964 19544 114 1 19 "Average Difference" HN 55 0.641 -0.265 0.589 19544 115 1 20 "Average Difference" N 55 3.318 -1.277 3.090 19544 116 1 20 "Average Difference" HA 63 0.353 -0.028 0.354 19544 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19544 118 1 20 "Average Difference" CA 57 1.016 -0.145 1.014 19544 119 1 20 "Average Difference" CB 50 1.859 0.255 1.860 19544 120 1 20 "Average Difference" HN 55 0.648 -0.249 0.604 19544 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 19544 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LEU N N 2 124.411 124.411 128.084 -3.673 19544 2 1 . 1 1 2 2 LEU HA H 2 4.434 4.434 4.817 -0.383 19544 3 1 . 1 1 2 2 LEU CA C 2 54.276 54.276 55.042 -0.766 19544 4 1 . 1 1 2 2 LEU CB C 2 42.199 42.199 42.944 -0.745 19544 5 1 . 1 1 2 2 LEU H H 2 8.389 8.389 8.554 -0.165 19544 6 1 . 1 1 3 3 ILE N N 3 130.539 130.539 124.204 6.335 19544 7 1 . 1 1 3 3 ILE HA H 3 4.927 4.927 4.189 0.738 19544 8 1 . 1 1 3 3 ILE CA C 3 60.154 60.154 61.380 -1.226 19544 9 1 . 1 1 3 3 ILE CB C 3 37.834 37.834 38.586 -0.752 19544 10 1 . 1 1 3 3 ILE H H 3 10.459 10.459 8.369 2.090 19544 11 1 . 1 1 4 4 LEU N N 4 123.187 123.187 126.001 -2.814 19544 12 1 . 1 1 4 4 LEU HA H 4 4.860 4.860 4.698 0.162 19544 13 1 . 1 1 4 4 LEU CA C 4 52.454 52.454 53.787 -1.332 19544 14 1 . 1 1 4 4 LEU CB C 4 46.599 46.599 45.035 1.564 19544 15 1 . 1 1 4 4 LEU H H 4 8.600 8.600 8.170 0.430 19544 16 1 . 1 1 5 5 THR N N 5 116.018 116.018 114.536 1.482 19544 17 1 . 1 1 5 5 THR HA H 5 5.507 5.507 4.615 0.892 19544 18 1 . 1 1 5 5 THR CA C 5 60.401 60.401 61.461 -1.060 19544 19 1 . 1 1 5 5 THR CB C 5 69.984 69.984 69.755 0.229 19544 20 1 . 1 1 5 5 THR H H 5 9.416 9.416 8.209 1.207 19544 21 1 . 1 1 6 6 ARG N N 6 123.849 123.849 122.715 1.134 19544 22 1 . 1 1 6 6 ARG HA H 6 5.013 5.013 4.591 0.422 19544 23 1 . 1 1 6 6 ARG CA C 6 55.534 55.534 55.347 0.187 19544 24 1 . 1 1 6 6 ARG CB C 6 38.783 38.783 32.569 6.214 19544 25 1 . 1 1 6 6 ARG H H 6 9.336 9.336 8.390 0.946 19544 26 1 . 1 1 7 7 LYS N N 7 123.068 123.068 123.965 -0.897 19544 27 1 . 1 1 7 7 LYS HA H 7 5.099 5.099 4.478 0.620 19544 28 1 . 1 1 7 7 LYS CA C 7 54.070 54.070 55.311 -1.241 19544 29 1 . 1 1 7 7 LYS CB C 7 34.344 34.344 34.053 0.291 19544 30 1 . 1 1 7 7 LYS H H 7 9.381 9.381 8.797 0.584 19544 31 1 . 1 1 8 8 VAL N N 8 118.072 118.072 120.034 -1.962 19544 32 1 . 1 1 8 8 VAL HA H 8 3.304 3.304 3.897 -0.593 19544 33 1 . 1 1 8 8 VAL CA C 8 65.828 65.828 63.050 2.778 19544 34 1 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.142 0.430 19544 35 1 . 1 1 8 8 VAL H H 8 7.682 7.682 8.261 -0.579 19544 36 1 . 1 1 9 9 GLY N N 9 115.704 115.704 115.026 0.678 19544 37 1 . 1 1 9 9 GLY CA C 9 44.535 44.535 44.881 -0.346 19544 38 1 . 1 1 9 9 GLY H H 9 9.252 9.252 9.125 0.127 19544 39 1 . 1 1 10 10 GLU N N 10 119.256 119.256 120.331 -1.075 19544 40 1 . 1 1 10 10 GLU HA H 10 4.887 4.887 4.740 0.147 19544 41 1 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.785 0.973 19544 42 1 . 1 1 10 10 GLU CB C 10 32.851 32.851 31.778 1.073 19544 43 1 . 1 1 10 10 GLU H H 10 8.332 8.332 7.985 0.347 19544 44 1 . 1 1 11 11 SER N N 11 112.505 112.505 112.905 -0.400 19544 45 1 . 1 1 11 11 SER HA H 11 5.879 5.879 5.221 0.658 19544 46 1 . 1 1 11 11 SER CA C 11 57.963 57.963 57.306 0.657 19544 47 1 . 1 1 11 11 SER CB C 11 66.878 66.878 66.330 0.548 19544 48 1 . 1 1 11 11 SER H H 11 8.661 8.661 8.368 0.293 19544 49 1 . 1 1 12 12 ILE N N 12 124.635 124.635 120.100 4.535 19544 50 1 . 1 1 12 12 ILE HA H 12 4.370 4.370 4.502 -0.132 19544 51 1 . 1 1 12 12 ILE CA C 12 59.939 59.939 60.075 -0.136 19544 52 1 . 1 1 12 12 ILE CB C 12 42.722 42.722 42.902 -0.180 19544 53 1 . 1 1 12 12 ILE H H 12 9.320 9.320 8.795 0.525 19544 54 1 . 1 1 13 13 ASN N N 13 126.113 126.113 120.229 5.884 19544 55 1 . 1 1 13 13 ASN HA H 13 4.989 4.989 5.088 -0.099 19544 56 1 . 1 1 13 13 ASN CA C 13 53.427 53.427 52.531 0.895 19544 57 1 . 1 1 13 13 ASN CB C 13 41.434 41.434 41.889 -0.455 19544 58 1 . 1 1 13 13 ASN H H 13 9.349 9.349 8.450 0.899 19544 59 1 . 1 1 14 14 ILE N N 14 123.849 123.849 121.263 2.586 19544 60 1 . 1 1 14 14 ILE HA H 14 4.459 4.459 4.450 0.009 19544 61 1 . 1 1 14 14 ILE CA C 14 60.566 60.566 60.651 -0.085 19544 62 1 . 1 1 14 14 ILE CB C 14 38.528 38.528 41.640 -3.112 19544 63 1 . 1 1 14 14 ILE H H 14 8.417 8.417 8.411 0.006 19544 64 1 . 1 1 15 15 GLY N N 15 115.401 115.401 113.041 2.360 19544 65 1 . 1 1 15 15 GLY CA C 15 45.936 45.936 46.233 -0.297 19544 66 1 . 1 1 15 15 GLY H H 15 9.100 9.100 8.590 0.510 19544 67 1 . 1 1 16 16 ASP N N 16 120.669 120.669 121.726 -1.057 19544 68 1 . 1 1 16 16 ASP HA H 16 4.936 4.936 4.719 0.217 19544 69 1 . 1 1 16 16 ASP CA C 16 55.199 55.199 54.265 0.933 19544 70 1 . 1 1 16 16 ASP CB C 16 42.386 42.386 41.456 0.930 19544 71 1 . 1 1 16 16 ASP H H 16 8.754 8.754 8.322 0.432 19544 72 1 . 1 1 17 17 ASP N N 17 115.502 115.502 119.461 -3.959 19544 73 1 . 1 1 17 17 ASP HA H 17 4.737 4.737 4.818 -0.081 19544 74 1 . 1 1 17 17 ASP CA C 17 54.077 54.077 54.006 0.071 19544 75 1 . 1 1 17 17 ASP CB C 17 42.504 42.504 43.779 -1.275 19544 76 1 . 1 1 17 17 ASP H H 17 8.143 8.143 7.946 0.197 19544 77 1 . 1 1 18 18 ILE N N 18 118.662 118.662 119.985 -1.323 19544 78 1 . 1 1 18 18 ILE HA H 18 5.221 5.221 5.020 0.201 19544 79 1 . 1 1 18 18 ILE CA C 18 60.005 60.005 60.265 -0.260 19544 80 1 . 1 1 18 18 ILE CB C 18 39.650 39.650 42.129 -2.479 19544 81 1 . 1 1 18 18 ILE H H 18 7.177 7.177 7.669 -0.492 19544 82 1 . 1 1 19 19 THR N N 19 122.983 122.983 120.857 2.126 19544 83 1 . 1 1 19 19 THR HA H 19 5.119 5.119 4.994 0.125 19544 84 1 . 1 1 19 19 THR CA C 19 60.918 60.918 61.419 -0.501 19544 85 1 . 1 1 19 19 THR CB C 19 71.715 71.715 72.267 -0.552 19544 86 1 . 1 1 19 19 THR H H 19 8.953 8.953 8.654 0.299 19544 87 1 . 1 1 20 20 ILE N N 20 123.406 123.406 121.955 1.451 19544 88 1 . 1 1 20 20 ILE HA H 20 4.925 4.925 5.014 -0.089 19544 89 1 . 1 1 20 20 ILE CA C 20 58.854 58.854 59.132 -0.278 19544 90 1 . 1 1 20 20 ILE CB C 20 40.376 40.376 41.944 -1.568 19544 91 1 . 1 1 20 20 ILE H H 20 8.934 8.934 9.115 -0.181 19544 92 1 . 1 1 21 21 THR N N 21 123.706 123.706 120.101 3.605 19544 93 1 . 1 1 21 21 THR HA H 21 4.843 4.843 4.934 -0.091 19544 94 1 . 1 1 21 21 THR CA C 21 61.530 61.530 61.650 -0.120 19544 95 1 . 1 1 21 21 THR CB C 21 71.954 71.954 72.026 -0.072 19544 96 1 . 1 1 21 21 THR H H 21 9.413 9.413 8.942 0.471 19544 97 1 . 1 1 22 22 ILE N N 22 125.648 125.648 127.711 -2.063 19544 98 1 . 1 1 22 22 ILE HA H 22 4.110 4.110 4.425 -0.315 19544 99 1 . 1 1 22 22 ILE CA C 22 59.087 59.087 58.766 0.321 19544 100 1 . 1 1 22 22 ILE CB C 22 33.926 33.926 37.879 -3.953 19544 101 1 . 1 1 22 22 ILE H H 22 8.081 8.081 8.366 -0.285 19544 102 1 . 1 1 23 23 LEU N N 23 129.374 129.374 128.530 0.844 19544 103 1 . 1 1 23 23 LEU HA H 23 4.529 4.529 4.249 0.279 19544 104 1 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.358 -0.783 19544 105 1 . 1 1 23 23 LEU CB C 23 42.685 42.685 41.912 0.773 19544 106 1 . 1 1 23 23 LEU H H 23 8.819 8.819 8.288 0.531 19544 107 1 . 1 1 24 24 GLY N N 24 104.611 104.611 103.851 0.760 19544 108 1 . 1 1 24 24 GLY CA C 24 45.905 45.905 44.766 1.139 19544 109 1 . 1 1 24 24 GLY H H 24 7.537 7.537 7.552 -0.015 19544 110 1 . 1 1 25 25 VAL N N 25 120.900 120.900 115.842 5.058 19544 111 1 . 1 1 25 25 VAL HA H 25 4.654 4.654 4.974 -0.320 19544 112 1 . 1 1 25 25 VAL CA C 25 61.477 61.477 59.030 2.447 19544 113 1 . 1 1 25 25 VAL CB C 25 35.740 35.740 35.796 -0.056 19544 114 1 . 1 1 25 25 VAL H H 25 8.454 8.454 8.285 0.169 19544 115 1 . 1 1 26 26 SER N N 26 121.619 121.619 117.917 3.702 19544 116 1 . 1 1 26 26 SER HA H 26 4.676 4.676 4.661 0.015 19544 117 1 . 1 1 26 26 SER CA C 26 56.360 56.360 58.014 -1.654 19544 118 1 . 1 1 26 26 SER CB C 26 63.802 63.802 64.229 -0.427 19544 119 1 . 1 1 26 26 SER H H 26 8.571 8.571 8.542 0.029 19544 120 1 . 1 1 27 27 GLY N N 27 118.284 118.284 116.026 2.258 19544 121 1 . 1 1 27 27 GLY CA C 27 47.415 47.415 46.611 0.804 19544 122 1 . 1 1 27 27 GLY H H 27 9.023 9.023 8.664 0.359 19544 123 1 . 1 1 28 28 GLN N N 28 124.398 124.398 123.666 0.732 19544 124 1 . 1 1 28 28 GLN HA H 28 4.290 4.290 4.497 -0.207 19544 125 1 . 1 1 28 28 GLN CA C 28 55.212 55.212 55.407 -0.194 19544 126 1 . 1 1 28 28 GLN CB C 28 29.553 29.553 29.757 -0.203 19544 127 1 . 1 1 28 28 GLN H H 28 8.776 8.776 8.553 0.223 19544 128 1 . 1 1 29 29 GLN N N 29 117.501 117.501 120.320 -2.819 19544 129 1 . 1 1 29 29 GLN HA H 29 4.630 4.630 4.351 0.279 19544 130 1 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.009 -0.715 19544 131 1 . 1 1 29 29 GLN CB C 29 31.682 31.682 30.113 1.569 19544 132 1 . 1 1 29 29 GLN H H 29 8.289 8.289 7.789 0.500 19544 133 1 . 1 1 30 30 VAL N N 30 124.451 124.451 120.803 3.648 19544 134 1 . 1 1 30 30 VAL HA H 30 4.578 4.578 4.512 0.066 19544 135 1 . 1 1 30 30 VAL CA C 30 60.464 60.464 61.406 -0.942 19544 136 1 . 1 1 30 30 VAL CB C 30 34.413 34.413 33.976 0.437 19544 137 1 . 1 1 30 30 VAL H H 30 9.174 9.174 8.368 0.806 19544 138 1 . 1 1 31 31 ARG N N 31 128.251 128.251 127.951 0.300 19544 139 1 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.476 0.161 19544 140 1 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.727 -0.226 19544 141 1 . 1 1 31 31 ARG CB C 31 31.826 31.826 30.734 1.092 19544 142 1 . 1 1 31 31 ARG H H 31 8.765 8.765 8.439 0.326 19544 143 1 . 1 1 32 32 ILE N N 32 127.573 127.573 124.451 3.122 19544 144 1 . 1 1 32 32 ILE HA H 32 4.660 4.660 4.693 -0.033 19544 145 1 . 1 1 32 32 ILE CA C 32 59.568 59.568 59.837 -0.269 19544 146 1 . 1 1 32 32 ILE CB C 32 41.055 41.055 40.395 0.660 19544 147 1 . 1 1 32 32 ILE H H 32 8.949 8.949 8.350 0.599 19544 148 1 . 1 1 33 33 GLY N N 33 112.581 112.581 114.317 -1.736 19544 149 1 . 1 1 33 33 GLY CA C 33 44.594 44.594 43.432 1.162 19544 150 1 . 1 1 33 33 GLY H H 33 9.127 9.127 8.936 0.191 19544 151 1 . 1 1 34 34 ILE N N 34 124.726 124.726 120.796 3.930 19544 152 1 . 1 1 34 34 ILE HA H 34 4.830 4.830 4.703 0.127 19544 153 1 . 1 1 34 34 ILE CA C 34 60.950 60.950 60.177 0.773 19544 154 1 . 1 1 34 34 ILE CB C 34 41.304 41.304 42.321 -1.017 19544 155 1 . 1 1 34 34 ILE H H 34 9.599 9.599 8.305 1.294 19544 156 1 . 1 1 35 35 ASN N N 35 129.529 129.529 124.099 5.430 19544 157 1 . 1 1 35 35 ASN HA H 35 5.095 5.095 4.974 0.121 19544 158 1 . 1 1 35 35 ASN CA C 35 52.000 52.000 52.430 -0.430 19544 159 1 . 1 1 35 35 ASN CB C 35 40.148 40.148 40.350 -0.202 19544 160 1 . 1 1 35 35 ASN H H 35 9.035 9.035 8.838 0.197 19544 161 1 . 1 1 36 36 ALA N N 36 125.575 125.575 127.642 -2.067 19544 162 1 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.202 -0.142 19544 163 1 . 1 1 36 36 ALA CA C 36 49.316 49.316 49.358 -0.042 19544 164 1 . 1 1 36 36 ALA CB C 36 19.898 19.898 21.058 -1.160 19544 165 1 . 1 1 36 36 ALA H H 36 8.231 8.231 8.129 0.102 19544 166 1 . 1 1 37 37 PRO HA H 37 4.412 4.412 4.539 -0.127 19544 167 1 . 1 1 37 37 PRO CA C 37 62.900 62.900 62.132 0.768 19544 168 1 . 1 1 37 37 PRO CB C 37 32.325 32.325 32.801 -0.476 19544 169 1 . 1 1 38 38 LYS N N 38 121.064 121.064 121.542 -0.478 19544 170 1 . 1 1 38 38 LYS HA H 38 3.793 3.793 4.063 -0.270 19544 171 1 . 1 1 38 38 LYS CA C 38 58.798 58.798 57.688 1.110 19544 172 1 . 1 1 38 38 LYS CB C 38 31.843 31.843 31.723 0.120 19544 173 1 . 1 1 38 38 LYS H H 38 8.555 8.555 8.508 0.047 19544 174 1 . 1 1 39 39 ASP N N 39 113.867 113.867 118.563 -4.696 19544 175 1 . 1 1 39 39 ASP HA H 39 4.354 4.354 4.499 -0.145 19544 176 1 . 1 1 39 39 ASP CA C 39 53.955 53.955 54.959 -1.004 19544 177 1 . 1 1 39 39 ASP CB C 39 39.712 39.712 41.108 -1.396 19544 178 1 . 1 1 39 39 ASP H H 39 8.159 8.159 8.252 -0.093 19544 179 1 . 1 1 40 40 VAL N N 40 122.635 122.635 114.407 8.228 19544 180 1 . 1 1 40 40 VAL HA H 40 3.970 3.970 4.461 -0.491 19544 181 1 . 1 1 40 40 VAL CA C 40 61.806 61.806 59.787 2.019 19544 182 1 . 1 1 40 40 VAL CB C 40 31.972 31.972 35.385 -3.413 19544 183 1 . 1 1 40 40 VAL H H 40 8.050 8.050 7.491 0.559 19544 184 1 . 1 1 41 41 ALA N N 41 133.705 133.705 125.452 8.253 19544 185 1 . 1 1 41 41 ALA HA H 41 4.455 4.455 4.789 -0.334 19544 186 1 . 1 1 41 41 ALA CA C 41 52.144 52.144 51.186 0.958 19544 187 1 . 1 1 41 41 ALA CB C 41 18.921 18.921 19.900 -0.979 19544 188 1 . 1 1 41 41 ALA H H 41 8.917 8.917 8.276 0.641 19544 189 1 . 1 1 42 42 VAL N N 42 125.251 125.251 120.325 4.926 19544 190 1 . 1 1 42 42 VAL HA H 42 4.399 4.399 4.237 0.162 19544 191 1 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.566 -0.979 19544 192 1 . 1 1 42 42 VAL CB C 42 33.572 33.572 33.241 0.330 19544 193 1 . 1 1 42 42 VAL H H 42 7.870 7.870 7.855 0.015 19544 194 1 . 1 1 43 43 HIS N N 43 118.702 118.702 124.077 -5.375 19544 195 1 . 1 1 43 43 HIS HA H 43 5.549 5.549 4.912 0.637 19544 196 1 . 1 1 43 43 HIS CA C 43 53.743 53.743 55.325 -1.582 19544 197 1 . 1 1 43 43 HIS CB C 43 37.784 37.784 31.823 5.961 19544 198 1 . 1 1 43 43 HIS H H 43 8.605 8.605 8.268 0.337 19544 199 1 . 1 1 44 44 ARG N N 44 121.777 121.777 121.546 0.231 19544 200 1 . 1 1 44 44 ARG HA H 44 3.959 3.959 4.377 -0.418 19544 201 1 . 1 1 44 44 ARG CA C 44 58.185 58.185 55.941 2.244 19544 202 1 . 1 1 44 44 ARG H H 44 8.395 8.395 8.684 -0.288 19544 203 1 . 1 1 45 45 GLU N N 45 125.983 125.983 122.523 3.460 19544 204 1 . 1 1 45 45 GLU HA H 45 4.409 4.409 4.147 0.262 19544 205 1 . 1 1 45 45 GLU CA C 45 59.887 59.887 59.684 0.203 19544 206 1 . 1 1 45 45 GLU CB C 45 29.944 29.944 29.786 0.158 19544 207 1 . 1 1 45 45 GLU H H 45 7.926 7.926 8.984 -1.058 19544 208 1 . 1 1 46 46 GLU N N 46 118.177 118.177 116.751 1.426 19544 209 1 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.245 0.006 19544 210 1 . 1 1 46 46 GLU CA C 46 58.573 58.573 58.117 0.456 19544 211 1 . 1 1 46 46 GLU CB C 46 26.850 26.850 29.222 -2.372 19544 212 1 . 1 1 46 46 GLU H H 46 10.750 10.750 8.651 2.099 19544 213 1 . 1 1 47 47 ILE N N 47 122.609 122.609 119.133 3.476 19544 214 1 . 1 1 47 47 ILE HA H 47 3.740 3.740 4.135 -0.395 19544 215 1 . 1 1 47 47 ILE CA C 47 60.549 60.549 60.973 -0.424 19544 216 1 . 1 1 47 47 ILE CB C 47 34.717 34.717 38.758 -4.041 19544 217 1 . 1 1 47 47 ILE H H 47 7.166 7.166 7.726 -0.560 19544 218 1 . 1 1 48 48 TYR N N 48 122.090 122.090 122.026 0.064 19544 219 1 . 1 1 48 48 TYR HA H 48 3.612 3.612 3.932 -0.320 19544 220 1 . 1 1 48 48 TYR CA C 48 62.310 62.310 61.077 1.233 19544 221 1 . 1 1 48 48 TYR CB C 48 39.047 39.047 38.053 0.994 19544 222 1 . 1 1 48 48 TYR H H 48 8.113 8.113 8.760 -0.647 19544 223 1 . 1 1 49 49 GLN N N 49 114.980 114.980 116.378 -1.398 19544 224 1 . 1 1 49 49 GLN HA H 49 3.844 3.844 3.684 0.160 19544 225 1 . 1 1 49 49 GLN CA C 49 58.565 58.565 57.763 0.802 19544 226 1 . 1 1 49 49 GLN CB C 49 28.103 28.103 28.454 -0.350 19544 227 1 . 1 1 49 49 GLN H H 49 8.573 8.573 7.955 0.618 19544 228 1 . 1 1 50 50 ARG N N 50 120.374 120.374 119.861 0.513 19544 229 1 . 1 1 50 50 ARG HA H 50 3.964 3.964 4.151 -0.187 19544 230 1 . 1 1 50 50 ARG CA C 50 59.153 59.153 58.532 0.621 19544 231 1 . 1 1 50 50 ARG CB C 50 30.409 30.409 30.676 -0.267 19544 232 1 . 1 1 50 50 ARG H H 50 7.176 7.176 7.610 -0.434 19544 233 1 . 1 1 51 51 ILE N N 51 120.770 120.770 119.249 1.521 19544 234 1 . 1 1 51 51 ILE HA H 51 3.568 3.568 3.770 -0.202 19544 235 1 . 1 1 51 51 ILE CA C 51 64.674 64.674 63.876 0.798 19544 236 1 . 1 1 51 51 ILE CB C 51 38.079 38.079 37.640 0.439 19544 237 1 . 1 1 51 51 ILE H H 51 7.993 7.993 7.539 0.454 19544 238 1 . 1 1 52 52 GLN N N 52 118.553 118.553 116.501 2.052 19544 239 1 . 1 1 52 52 GLN HA H 52 3.787 3.787 4.277 -0.490 19544 240 1 . 1 1 52 52 GLN CA C 52 57.453 57.453 55.609 1.844 19544 241 1 . 1 1 52 52 GLN CB C 52 28.040 28.040 28.592 -0.552 19544 242 1 . 1 1 52 52 GLN H H 52 7.927 7.927 7.496 0.431 19544 243 1 . 1 1 53 53 ALA N N 53 120.448 120.448 120.669 -0.221 19544 244 1 . 1 1 53 53 ALA HA H 53 4.159 4.159 4.580 -0.421 19544 245 1 . 1 1 53 53 ALA CA C 53 53.176 53.176 52.113 1.063 19544 246 1 . 1 1 53 53 ALA CB C 53 18.419 18.419 20.815 -2.396 19544 247 1 . 1 1 53 53 ALA H H 53 7.600 7.600 7.653 -0.053 19544 248 1 . 1 1 54 54 GLY N N 54 105.491 105.491 107.127 -1.636 19544 249 1 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.264 0.252 19544 250 1 . 1 1 54 54 GLY H H 54 7.671 7.671 8.001 -0.330 19544 251 1 . 1 1 55 55 LEU N N 55 120.780 120.780 118.393 2.387 19544 252 1 . 1 1 55 55 LEU HA H 55 4.312 4.312 4.755 -0.443 19544 253 1 . 1 1 55 55 LEU CA C 55 54.840 54.840 54.502 0.338 19544 254 1 . 1 1 55 55 LEU CB C 55 42.133 42.133 43.236 -1.103 19544 255 1 . 1 1 55 55 LEU H H 55 7.640 7.640 8.117 -0.477 19544 256 1 . 1 1 56 56 THR N N 56 113.308 113.308 111.884 1.424 19544 257 1 . 1 1 56 56 THR HA H 56 4.271 4.271 4.453 -0.182 19544 258 1 . 1 1 56 56 THR CA C 56 61.302 61.302 62.212 -0.910 19544 259 1 . 1 1 56 56 THR CB C 56 69.901 69.901 69.619 0.282 19544 260 1 . 1 1 56 56 THR H H 56 7.788 7.788 8.216 -0.428 19544 261 1 . 1 1 57 57 ALA N N 57 127.382 127.382 123.985 3.397 19544 262 1 . 1 1 57 57 ALA HA H 57 4.508 4.508 4.455 0.053 19544 263 1 . 1 1 57 57 ALA CA C 57 50.519 50.519 51.823 -1.304 19544 264 1 . 1 1 57 57 ALA CB C 57 18.234 18.234 18.273 -0.039 19544 265 1 . 1 1 57 57 ALA H H 57 8.072 8.072 7.892 0.180 19544 266 1 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.385 -0.070 19544 267 1 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.885 0.464 19544 268 1 . 1 1 58 58 PRO CB C 58 31.892 31.892 32.131 -0.239 19544 stop_ save_