data_19395 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19395 _Entry.PDB_ID 2MBC 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 19395 _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 7 7 PRO HA H 7 4.347 4.347 4.401 -0.054 19395 2 1 1 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.617 -0.079 19395 3 1 1 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.717 -0.925 19395 4 1 1 . 1 1 8 8 ALA N N 8 126.708 126.708 127.077 -0.369 19395 5 1 1 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.871 -0.260 19395 6 1 1 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.130 1.178 19395 7 1 1 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.153 -0.948 19395 8 1 1 . 1 1 8 8 ALA H H 8 8.399 8.399 8.266 0.133 19395 9 1 1 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.349 0.302 19395 10 1 1 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.399 0.184 19395 11 1 1 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.803 -0.292 19395 12 1 1 . 1 1 10 10 VAL N N 10 118.581 118.581 119.513 -0.932 19395 13 1 1 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.322 -0.021 19395 14 1 1 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.423 -0.590 19395 15 1 1 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.492 0.185 19395 16 1 1 . 1 1 10 10 VAL H H 10 8.025 8.025 7.984 0.041 19395 17 1 1 . 1 1 11 11 GLU N N 11 129.673 129.673 129.369 0.304 19395 18 1 1 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.105 -0.020 19395 19 1 1 . 1 1 11 11 GLU CA C 11 54.747 54.747 54.738 0.009 19395 20 1 1 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.656 0.473 19395 21 1 1 . 1 1 11 11 GLU H H 11 8.723 8.723 8.810 -0.087 19395 22 1 1 . 1 1 12 12 VAL N N 12 127.093 127.093 127.485 -0.392 19395 23 1 1 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.430 -0.147 19395 24 1 1 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.459 1.137 19395 25 1 1 . 1 1 12 12 VAL CB C 12 34.546 34.546 34.379 0.167 19395 26 1 1 . 1 1 12 12 VAL H H 12 9.247 9.247 8.743 0.504 19395 27 1 1 . 1 1 13 13 SER N N 13 123.385 123.385 124.849 -1.464 19395 28 1 1 . 1 1 13 13 SER HA H 13 5.302 5.302 4.786 0.516 19395 29 1 1 . 1 1 13 13 SER CA C 13 56.409 56.409 58.549 -2.140 19395 30 1 1 . 1 1 13 13 SER CB C 13 64.981 64.981 63.974 1.007 19395 31 1 1 . 1 1 13 13 SER H H 13 9.001 9.001 8.371 0.630 19395 32 1 1 . 1 1 14 14 TYR N N 14 124.413 124.413 126.447 -2.034 19395 33 1 1 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.551 -0.014 19395 34 1 1 . 1 1 14 14 TYR CA C 14 58.233 58.233 58.319 -0.086 19395 35 1 1 . 1 1 14 14 TYR CB C 14 41.579 41.579 40.602 0.977 19395 36 1 1 . 1 1 14 14 TYR H H 14 8.347 8.347 8.869 -0.522 19395 37 1 1 . 1 1 15 15 LYS N N 15 125.130 125.130 119.009 6.121 19395 38 1 1 . 1 1 15 15 LYS HA H 15 3.399 3.399 4.053 -0.654 19395 39 1 1 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.750 -0.376 19395 40 1 1 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.481 -2.587 19395 41 1 1 . 1 1 15 15 LYS H H 15 8.820 8.820 8.756 0.064 19395 42 1 1 . 1 1 16 16 HIS N N 16 121.278 121.278 115.771 5.507 19395 43 1 1 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.677 -0.227 19395 44 1 1 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.743 0.995 19395 45 1 1 . 1 1 16 16 HIS CB C 16 30.229 30.229 31.382 -1.153 19395 46 1 1 . 1 1 16 16 HIS H H 16 8.784 8.784 8.241 0.543 19395 47 1 1 . 1 1 17 17 MET N N 17 120.113 120.113 116.896 3.217 19395 48 1 1 . 1 1 17 17 MET HA H 17 2.326 2.326 4.949 -2.623 19395 49 1 1 . 1 1 17 17 MET CA C 17 54.714 54.714 53.724 0.990 19395 50 1 1 . 1 1 17 17 MET CB C 17 34.848 34.848 34.916 -0.068 19395 51 1 1 . 1 1 17 17 MET H H 17 8.106 8.106 7.641 0.465 19395 52 1 1 . 1 1 18 18 ARG N N 18 121.252 121.252 119.424 1.828 19395 53 1 1 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.183 -0.344 19395 54 1 1 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.511 0.283 19395 55 1 1 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.897 -0.081 19395 56 1 1 . 1 1 18 18 ARG H H 18 5.904 5.904 8.582 -2.678 19395 57 1 1 . 1 1 19 19 PHE N N 19 121.195 121.195 121.186 0.009 19395 58 1 1 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.172 0.828 19395 59 1 1 . 1 1 19 19 PHE CA C 19 55.618 55.618 56.268 -0.650 19395 60 1 1 . 1 1 19 19 PHE CB C 19 43.616 43.616 44.067 -0.451 19395 61 1 1 . 1 1 19 19 PHE H H 19 9.178 9.178 9.140 0.038 19395 62 1 1 . 1 1 20 20 LEU N N 20 123.804 123.804 122.374 1.430 19395 63 1 1 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.287 -0.177 19395 64 1 1 . 1 1 20 20 LEU CA C 20 52.568 52.568 54.012 -1.444 19395 65 1 1 . 1 1 20 20 LEU CB C 20 46.883 46.883 45.131 1.752 19395 66 1 1 . 1 1 20 20 LEU H H 20 8.601 8.601 9.268 -0.667 19395 67 1 1 . 1 1 21 21 ILE N N 21 126.661 126.661 123.199 3.462 19395 68 1 1 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.265 -0.134 19395 69 1 1 . 1 1 21 21 ILE CA C 21 60.828 60.828 58.621 2.207 19395 70 1 1 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.824 0.385 19395 71 1 1 . 1 1 21 21 ILE H H 21 9.323 9.323 9.224 0.099 19395 72 1 1 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.374 -0.045 19395 73 1 1 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.866 -2.048 19395 74 1 1 . 1 1 25 25 PRO CB C 25 32.524 32.524 32.206 0.318 19395 75 1 1 . 1 1 26 26 THR N N 26 131.812 131.812 112.614 19.198 19395 76 1 1 . 1 1 26 26 THR H H 26 6.781 6.781 7.487 -0.706 19395 77 1 1 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.149 0.195 19395 78 1 1 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.265 0.756 19395 79 1 1 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.070 0.114 19395 80 1 1 . 1 1 29 29 THR N N 29 104.375 104.375 110.676 -6.301 19395 81 1 1 . 1 1 29 29 THR HA H 29 4.847 4.847 4.276 0.571 19395 82 1 1 . 1 1 29 29 THR CA C 29 60.370 60.370 61.962 -1.592 19395 83 1 1 . 1 1 29 29 THR CB C 29 69.135 69.135 69.276 -0.141 19395 84 1 1 . 1 1 29 29 THR H H 29 7.642 7.642 7.524 0.118 19395 85 1 1 . 1 1 30 30 LEU N N 30 124.383 124.383 120.951 3.432 19395 86 1 1 . 1 1 30 30 LEU HA H 30 4.013 4.013 4.044 -0.031 19395 87 1 1 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.331 0.380 19395 88 1 1 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.803 1.552 19395 89 1 1 . 1 1 30 30 LEU H H 30 7.356 7.356 8.143 -0.787 19395 90 1 1 . 1 1 31 31 SER N N 31 111.792 111.792 114.379 -2.587 19395 91 1 1 . 1 1 31 31 SER H H 31 6.915 6.915 8.304 -1.389 19395 92 1 1 . 1 1 32 32 THR N N 32 116.374 116.374 115.420 0.954 19395 93 1 1 . 1 1 32 32 THR HA H 32 4.109 4.109 4.297 -0.188 19395 94 1 1 . 1 1 32 32 THR CA C 32 65.142 65.142 65.843 -0.701 19395 95 1 1 . 1 1 32 32 THR CB C 32 68.628 68.628 68.888 -0.260 19395 96 1 1 . 1 1 32 32 THR H H 32 7.589 7.589 8.049 -0.460 19395 97 1 1 . 1 1 33 33 PHE N N 33 124.790 124.790 123.926 0.864 19395 98 1 1 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.169 0.306 19395 99 1 1 . 1 1 33 33 PHE CA C 33 61.050 61.050 61.105 -0.055 19395 100 1 1 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.539 1.300 19395 101 1 1 . 1 1 33 33 PHE H H 33 7.644 7.644 8.071 -0.427 19395 102 1 1 . 1 1 34 34 ILE N N 34 117.776 117.776 117.775 0.001 19395 103 1 1 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.054 0.293 19395 104 1 1 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.179 1.843 19395 105 1 1 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.441 -5.795 19395 106 1 1 . 1 1 34 34 ILE H H 34 8.535 8.535 8.759 -0.224 19395 107 1 1 . 1 1 35 35 GLU N N 35 119.202 119.202 118.674 0.528 19395 108 1 1 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.927 -0.000 19395 109 1 1 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.452 0.294 19395 110 1 1 . 1 1 35 35 GLU CB C 35 29.375 29.375 28.982 0.393 19395 111 1 1 . 1 1 35 35 GLU H H 35 7.512 7.512 7.734 -0.222 19395 112 1 1 . 1 1 36 36 ASP N N 36 121.117 121.117 120.586 0.531 19395 113 1 1 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.481 0.073 19395 114 1 1 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.342 0.596 19395 115 1 1 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.753 -0.634 19395 116 1 1 . 1 1 36 36 ASP H H 36 8.049 8.049 7.849 0.200 19395 117 1 1 . 1 1 37 37 LEU N N 37 119.257 119.257 116.440 2.817 19395 118 1 1 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.225 -0.472 19395 119 1 1 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.739 0.764 19395 120 1 1 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.120 -1.160 19395 121 1 1 . 1 1 37 37 LEU H H 37 8.016 8.016 7.474 0.542 19395 122 1 1 . 1 1 38 38 LYS N N 38 117.743 117.743 119.597 -1.854 19395 123 1 1 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.083 0.015 19395 124 1 1 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.380 -0.076 19395 125 1 1 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.741 -0.473 19395 126 1 1 . 1 1 38 38 LYS H H 38 8.336 8.336 7.800 0.536 19395 127 1 1 . 1 1 39 39 LYS N N 39 122.164 122.164 117.818 4.346 19395 128 1 1 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.112 0.044 19395 129 1 1 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.785 0.648 19395 130 1 1 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.135 0.276 19395 131 1 1 . 1 1 39 39 LYS H H 39 8.113 8.113 8.181 -0.068 19395 132 1 1 . 1 1 40 40 TYR N N 40 114.347 114.347 119.475 -5.128 19395 133 1 1 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.331 0.064 19395 134 1 1 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.772 -0.121 19395 135 1 1 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.342 1.354 19395 136 1 1 . 1 1 40 40 TYR H H 40 7.626 7.626 8.007 -0.381 19395 137 1 1 . 1 1 41 41 GLY N N 41 109.921 109.921 104.375 5.546 19395 138 1 1 . 1 1 41 41 GLY CA C 41 46.766 46.766 44.965 1.801 19395 139 1 1 . 1 1 41 41 GLY H H 41 7.878 7.878 7.324 0.554 19395 140 1 1 . 1 1 42 42 ALA N N 42 123.757 123.757 123.217 0.540 19395 141 1 1 . 1 1 42 42 ALA HA H 42 5.158 5.158 4.916 0.242 19395 142 1 1 . 1 1 42 42 ALA CA C 42 51.138 51.138 51.033 0.105 19395 143 1 1 . 1 1 42 42 ALA CB C 42 19.909 19.909 20.178 -0.269 19395 144 1 1 . 1 1 42 42 ALA H H 42 8.544 8.544 8.139 0.405 19395 145 1 1 . 1 1 43 43 THR N N 43 109.574 109.574 116.306 -6.732 19395 146 1 1 . 1 1 43 43 THR HA H 43 4.479 4.479 4.503 -0.024 19395 147 1 1 . 1 1 43 43 THR CA C 43 61.144 61.144 60.901 0.243 19395 148 1 1 . 1 1 43 43 THR CB C 43 69.180 69.180 68.206 0.974 19395 149 1 1 . 1 1 43 43 THR H H 43 7.969 7.969 8.335 -0.365 19395 150 1 1 . 1 1 44 44 THR N N 44 118.101 118.101 116.945 1.156 19395 151 1 1 . 1 1 44 44 THR HA H 44 5.226 5.226 4.732 0.494 19395 152 1 1 . 1 1 44 44 THR CA C 44 62.061 62.061 61.795 0.266 19395 153 1 1 . 1 1 44 44 THR CB C 44 72.595 72.595 72.718 -0.123 19395 154 1 1 . 1 1 44 44 THR H H 44 7.458 7.458 7.187 0.271 19395 155 1 1 . 1 1 45 45 VAL N N 45 127.571 127.571 124.219 3.352 19395 156 1 1 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.436 0.266 19395 157 1 1 . 1 1 45 45 VAL CA C 45 60.504 60.504 61.412 -0.908 19395 158 1 1 . 1 1 45 45 VAL CB C 45 35.182 35.182 33.004 2.178 19395 159 1 1 . 1 1 45 45 VAL H H 45 9.398 9.398 9.039 0.359 19395 160 1 1 . 1 1 46 46 VAL N N 46 129.011 129.011 122.306 6.705 19395 161 1 1 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.322 0.008 19395 162 1 1 . 1 1 46 46 VAL CA C 46 61.517 61.517 61.589 -0.072 19395 163 1 1 . 1 1 46 46 VAL CB C 46 32.232 32.232 30.008 2.224 19395 164 1 1 . 1 1 46 46 VAL H H 46 9.342 9.342 8.997 0.345 19395 165 1 1 . 1 1 47 47 ARG N N 47 129.852 129.852 119.034 10.818 19395 166 1 1 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.019 0.276 19395 167 1 1 . 1 1 47 47 ARG CA C 47 56.019 56.019 57.244 -1.225 19395 168 1 1 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.010 0.807 19395 169 1 1 . 1 1 47 47 ARG H H 47 9.037 9.037 7.748 1.289 19395 170 1 1 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.692 -0.758 19395 171 1 1 . 1 1 49 49 CYS CA C 49 55.688 55.688 56.987 -1.299 19395 172 1 1 . 1 1 49 49 CYS CB C 49 41.121 41.121 29.314 11.807 19395 173 1 1 . 1 1 50 50 GLU N N 50 114.931 114.931 120.545 -5.614 19395 174 1 1 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.227 -0.141 19395 175 1 1 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.377 -0.077 19395 176 1 1 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.392 2.053 19395 177 1 1 . 1 1 50 50 GLU H H 50 8.669 8.669 8.584 0.085 19395 178 1 1 . 1 1 51 51 VAL N N 51 122.453 122.453 117.788 4.665 19395 179 1 1 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.108 -0.687 19395 180 1 1 . 1 1 51 51 VAL CA C 51 64.120 64.120 62.304 1.816 19395 181 1 1 . 1 1 51 51 VAL CB C 51 32.030 32.030 31.943 0.087 19395 182 1 1 . 1 1 51 51 VAL H H 51 8.356 8.356 7.853 0.503 19395 183 1 1 . 1 1 52 52 THR N N 52 118.382 118.382 115.024 3.358 19395 184 1 1 . 1 1 52 52 THR HA H 52 4.525 4.525 4.373 0.152 19395 185 1 1 . 1 1 52 52 THR CA C 52 61.197 61.197 61.485 -0.288 19395 186 1 1 . 1 1 52 52 THR CB C 52 69.429 69.429 69.218 0.211 19395 187 1 1 . 1 1 52 52 THR H H 52 8.936 8.936 8.041 0.895 19395 188 1 1 . 1 1 53 53 TYR N N 53 116.747 116.747 122.035 -5.288 19395 189 1 1 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.785 -0.023 19395 190 1 1 . 1 1 53 53 TYR CA C 53 55.653 55.653 57.466 -1.813 19395 191 1 1 . 1 1 53 53 TYR CB C 53 39.833 39.833 40.130 -0.297 19395 192 1 1 . 1 1 53 53 TYR H H 53 7.040 7.040 7.740 -0.700 19395 193 1 1 . 1 1 54 54 ASP N N 54 123.720 123.720 128.424 -4.704 19395 194 1 1 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.265 0.243 19395 195 1 1 . 1 1 54 54 ASP CA C 54 53.571 53.571 55.077 -1.506 19395 196 1 1 . 1 1 54 54 ASP CB C 54 41.364 41.364 41.858 -0.494 19395 197 1 1 . 1 1 54 54 ASP H H 54 9.280 9.280 8.409 0.871 19395 198 1 1 . 1 1 55 55 LYS N N 55 121.455 121.455 121.476 -0.021 19395 199 1 1 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.209 0.310 19395 200 1 1 . 1 1 55 55 LYS CA C 55 56.944 56.944 55.901 1.043 19395 201 1 1 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.307 1.633 19395 202 1 1 . 1 1 55 55 LYS H H 55 8.497 8.497 8.135 0.362 19395 203 1 1 . 1 1 56 56 THR N N 56 120.743 120.743 117.812 2.931 19395 204 1 1 . 1 1 56 56 THR HA H 56 4.120 4.120 4.598 -0.478 19395 205 1 1 . 1 1 56 56 THR CA C 56 68.652 68.652 63.170 5.482 19395 206 1 1 . 1 1 56 56 THR CB C 56 66.508 66.508 68.258 -1.750 19395 207 1 1 . 1 1 56 56 THR H H 56 8.701 8.701 8.525 0.176 19395 208 1 1 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.386 -0.095 19395 209 1 1 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.852 -0.019 19395 210 1 1 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.394 -0.004 19395 211 1 1 . 1 1 58 58 LEU N N 58 116.313 116.313 117.749 -1.436 19395 212 1 1 . 1 1 58 58 LEU HA H 58 4.054 4.054 3.972 0.082 19395 213 1 1 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.795 1.347 19395 214 1 1 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.392 -0.037 19395 215 1 1 . 1 1 58 58 LEU H H 58 7.170 7.170 8.635 -1.465 19395 216 1 1 . 1 1 59 59 GLU N N 59 120.470 120.470 120.267 0.203 19395 217 1 1 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.024 0.367 19395 218 1 1 . 1 1 59 59 GLU CA C 59 59.104 59.104 59.325 -0.221 19395 219 1 1 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.284 0.042 19395 220 1 1 . 1 1 59 59 GLU H H 59 7.794 7.794 8.355 -0.561 19395 221 1 1 . 1 1 60 60 LYS N N 60 119.911 119.911 119.406 0.505 19395 222 1 1 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.137 -0.029 19395 223 1 1 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.981 0.574 19395 224 1 1 . 1 1 60 60 LYS CB C 60 32.063 32.063 31.814 0.249 19395 225 1 1 . 1 1 60 60 LYS H H 60 8.246 8.246 7.701 0.545 19395 226 1 1 . 1 1 61 61 ASP N N 61 119.142 119.142 116.721 2.421 19395 227 1 1 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.668 0.302 19395 228 1 1 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.768 -0.989 19395 229 1 1 . 1 1 61 61 ASP CB C 61 41.887 41.887 41.075 0.812 19395 230 1 1 . 1 1 61 61 ASP H H 61 7.235 7.235 7.646 -0.411 19395 231 1 1 . 1 1 62 62 GLY N N 62 105.820 105.820 107.931 -2.111 19395 232 1 1 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.891 0.151 19395 233 1 1 . 1 1 62 62 GLY H H 62 7.742 7.742 7.639 0.103 19395 234 1 1 . 1 1 63 63 ILE N N 63 123.074 123.074 120.177 2.897 19395 235 1 1 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.037 0.301 19395 236 1 1 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.754 -1.224 19395 237 1 1 . 1 1 63 63 ILE CB C 63 38.518 38.518 38.649 -0.131 19395 238 1 1 . 1 1 63 63 ILE H H 63 7.870 7.870 7.676 0.194 19395 239 1 1 . 1 1 64 64 THR N N 64 123.510 123.510 125.371 -1.861 19395 240 1 1 . 1 1 64 64 THR HA H 64 4.316 4.316 4.118 0.198 19395 241 1 1 . 1 1 64 64 THR CA C 64 63.015 63.015 63.344 -0.329 19395 242 1 1 . 1 1 64 64 THR CB C 64 70.376 70.376 68.533 1.843 19395 243 1 1 . 1 1 64 64 THR H H 64 8.200 8.200 8.812 -0.612 19395 244 1 1 . 1 1 65 65 VAL N N 65 128.299 128.299 128.058 0.241 19395 245 1 1 . 1 1 65 65 VAL HA H 65 5.048 5.048 3.944 1.104 19395 246 1 1 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.524 -1.477 19395 247 1 1 . 1 1 65 65 VAL CB C 65 33.117 33.117 31.622 1.495 19395 248 1 1 . 1 1 65 65 VAL H H 65 8.919 8.919 8.364 0.555 19395 249 1 1 . 1 1 66 66 VAL N N 66 129.962 129.962 130.003 -0.041 19395 250 1 1 . 1 1 66 66 VAL HA H 66 3.927 3.927 3.917 0.010 19395 251 1 1 . 1 1 66 66 VAL CA C 66 60.683 60.683 61.055 -0.372 19395 252 1 1 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.861 1.759 19395 253 1 1 . 1 1 66 66 VAL H H 66 9.145 9.145 7.948 1.197 19395 254 1 1 . 1 1 67 67 ASP N N 67 126.437 126.437 124.444 1.993 19395 255 1 1 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.791 0.528 19395 256 1 1 . 1 1 67 67 ASP CA C 67 54.170 54.170 51.886 2.284 19395 257 1 1 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.065 2.006 19395 258 1 1 . 1 1 67 67 ASP H H 67 8.099 8.099 7.379 0.720 19395 259 1 1 . 1 1 68 68 TRP N N 68 125.863 125.863 121.537 4.326 19395 260 1 1 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.937 0.603 19395 261 1 1 . 1 1 68 68 TRP CA C 68 51.631 51.631 54.266 -2.635 19395 262 1 1 . 1 1 68 68 TRP CB C 68 30.303 30.303 32.399 -2.096 19395 263 1 1 . 1 1 68 68 TRP H H 68 8.305 8.305 7.626 0.679 19395 264 1 1 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.596 -0.611 19395 265 1 1 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.069 -0.126 19395 266 1 1 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.097 1.447 19395 267 1 1 . 1 1 70 70 PHE N N 70 113.153 113.153 119.848 -6.695 19395 268 1 1 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.425 0.335 19395 269 1 1 . 1 1 70 70 PHE CA C 70 56.067 56.067 58.800 -2.733 19395 270 1 1 . 1 1 70 70 PHE CB C 70 39.334 39.334 39.084 0.250 19395 271 1 1 . 1 1 70 70 PHE H H 70 7.237 7.237 8.589 -1.352 19395 272 1 1 . 1 1 71 71 ASP N N 71 120.632 120.632 117.630 3.002 19395 273 1 1 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.841 -0.559 19395 274 1 1 . 1 1 71 71 ASP CA C 71 55.907 55.907 53.777 2.130 19395 275 1 1 . 1 1 71 71 ASP CB C 71 41.099 41.099 41.186 -0.087 19395 276 1 1 . 1 1 71 71 ASP H H 71 8.514 8.514 8.205 0.309 19395 277 1 1 . 1 1 73 73 GLY H H 73 8.510 8.510 8.339 0.171 19395 278 1 1 . 1 1 74 74 ALA N N 74 123.138 123.138 123.176 -0.038 19395 279 1 1 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.231 0.609 19395 280 1 1 . 1 1 74 74 ALA CA C 74 50.106 50.106 52.093 -1.987 19395 281 1 1 . 1 1 74 74 ALA CB C 74 20.264 20.264 17.009 3.255 19395 282 1 1 . 1 1 74 74 ALA H H 74 7.833 7.833 8.023 -0.190 19395 283 1 1 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.145 0.311 19395 284 1 1 . 1 1 79 79 LYS N N 79 119.944 119.944 122.176 -2.232 19395 285 1 1 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.470 -0.530 19395 286 1 1 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.118 1.706 19395 287 1 1 . 1 1 79 79 LYS CB C 79 32.310 32.310 33.324 -1.014 19395 288 1 1 . 1 1 79 79 LYS H H 79 8.425 8.425 7.454 0.971 19395 289 1 1 . 1 1 80 80 VAL N N 80 116.231 116.231 119.701 -3.470 19395 290 1 1 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.580 -0.185 19395 291 1 1 . 1 1 80 80 VAL CA C 80 64.913 64.913 65.904 -0.991 19395 292 1 1 . 1 1 80 80 VAL CB C 80 31.293 31.293 31.266 0.027 19395 293 1 1 . 1 1 80 80 VAL H H 80 6.338 6.338 7.859 -1.521 19395 294 1 1 . 1 1 81 81 VAL N N 81 118.082 118.082 114.524 3.558 19395 295 1 1 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.624 -0.439 19395 296 1 1 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.294 2.330 19395 297 1 1 . 1 1 81 81 VAL CB C 81 31.645 31.645 30.643 1.002 19395 298 1 1 . 1 1 81 81 VAL H H 81 7.362 7.362 7.984 -0.622 19395 299 1 1 . 1 1 82 82 GLU N N 82 117.196 117.196 118.747 -1.551 19395 300 1 1 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.942 -0.006 19395 301 1 1 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.514 -0.020 19395 302 1 1 . 1 1 82 82 GLU CB C 82 29.451 29.451 28.903 0.548 19395 303 1 1 . 1 1 82 82 GLU H H 82 7.878 7.878 7.954 -0.076 19395 304 1 1 . 1 1 83 83 ASP N N 83 121.828 121.828 120.295 1.533 19395 305 1 1 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.235 0.004 19395 306 1 1 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.413 0.867 19395 307 1 1 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.468 -1.319 19395 308 1 1 . 1 1 83 83 ASP H H 83 8.156 8.156 7.420 0.736 19395 309 1 1 . 1 1 84 84 TRP N N 84 124.374 124.374 121.775 2.599 19395 310 1 1 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.228 0.696 19395 311 1 1 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.876 -0.854 19395 312 1 1 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.797 0.013 19395 313 1 1 . 1 1 84 84 TRP H H 84 8.939 8.939 8.045 0.894 19395 314 1 1 . 1 1 85 85 LEU N N 85 117.918 117.918 116.735 1.183 19395 315 1 1 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.060 -0.300 19395 316 1 1 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.255 0.743 19395 317 1 1 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.657 0.672 19395 318 1 1 . 1 1 85 85 LEU H H 85 8.723 8.723 8.021 0.702 19395 319 1 1 . 1 1 86 86 SER N N 86 114.182 114.182 115.436 -1.254 19395 320 1 1 . 1 1 86 86 SER HA H 86 4.187 4.187 4.134 0.053 19395 321 1 1 . 1 1 86 86 SER CA C 86 61.997 61.997 61.551 0.446 19395 322 1 1 . 1 1 86 86 SER CB C 86 62.984 62.984 63.178 -0.194 19395 323 1 1 . 1 1 86 86 SER H H 86 8.067 8.067 8.099 -0.032 19395 324 1 1 . 1 1 87 87 LEU N N 87 125.441 125.441 122.237 3.204 19395 325 1 1 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.127 0.083 19395 326 1 1 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.169 0.768 19395 327 1 1 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.554 1.025 19395 328 1 1 . 1 1 87 87 LEU H H 87 8.300 8.300 8.322 -0.022 19395 329 1 1 . 1 1 88 88 VAL N N 88 116.784 116.784 116.403 0.381 19395 330 1 1 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.754 -0.688 19395 331 1 1 . 1 1 88 88 VAL CA C 88 66.385 66.385 66.566 -0.180 19395 332 1 1 . 1 1 88 88 VAL CB C 88 30.764 30.764 30.604 0.160 19395 333 1 1 . 1 1 88 88 VAL H H 88 8.468 8.468 7.865 0.603 19395 334 1 1 . 1 1 89 89 LYS N N 89 118.569 118.569 119.683 -1.114 19395 335 1 1 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.309 -0.284 19395 336 1 1 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.508 0.968 19395 337 1 1 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.182 0.674 19395 338 1 1 . 1 1 89 89 LYS H H 89 7.652 7.652 8.493 -0.841 19395 339 1 1 . 1 1 90 90 ALA N N 90 119.043 119.043 121.719 -2.676 19395 340 1 1 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.315 -0.164 19395 341 1 1 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.857 1.188 19395 342 1 1 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.716 -1.262 19395 343 1 1 . 1 1 90 90 ALA H H 90 7.616 7.616 8.047 -0.431 19395 344 1 1 . 1 1 91 91 LYS N N 91 117.654 117.654 120.328 -2.674 19395 345 1 1 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.954 -0.017 19395 346 1 1 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.094 -1.340 19395 347 1 1 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.918 -1.755 19395 348 1 1 . 1 1 91 91 LYS H H 91 8.658 8.658 8.616 0.042 19395 349 1 1 . 1 1 92 92 PHE N N 92 113.471 113.471 118.703 -5.232 19395 350 1 1 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.463 0.156 19395 351 1 1 . 1 1 92 92 PHE CA C 92 58.595 58.595 58.857 -0.262 19395 352 1 1 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.105 -1.421 19395 353 1 1 . 1 1 92 92 PHE H H 92 7.472 7.472 8.280 -0.808 19395 354 1 1 . 1 1 93 93 CYS N N 93 117.138 117.138 118.697 -1.559 19395 355 1 1 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.756 0.607 19395 356 1 1 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.816 2.148 19395 357 1 1 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.615 -0.137 19395 358 1 1 . 1 1 93 93 CYS H H 93 7.562 7.562 7.658 -0.096 19395 359 1 1 . 1 1 94 94 GLU N N 94 118.594 118.594 119.860 -1.266 19395 360 1 1 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.322 -0.195 19395 361 1 1 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.618 1.423 19395 362 1 1 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.385 -0.312 19395 363 1 1 . 1 1 94 94 GLU H H 94 8.236 8.236 8.372 -0.136 19395 364 1 1 . 1 1 95 95 ALA N N 95 121.081 121.081 123.306 -2.225 19395 365 1 1 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.748 0.129 19395 366 1 1 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.226 0.143 19395 367 1 1 . 1 1 95 95 ALA CB C 95 18.124 18.124 20.490 -2.366 19395 368 1 1 . 1 1 95 95 ALA H H 95 7.898 7.898 7.909 -0.011 19395 369 1 1 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.402 0.421 19395 370 1 1 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.397 0.570 19395 371 1 1 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.475 1.081 19395 372 1 1 . 1 1 97 97 GLY N N 97 113.478 113.478 113.047 0.431 19395 373 1 1 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.858 -0.159 19395 374 1 1 . 1 1 97 97 GLY H H 97 9.198 9.198 8.291 0.907 19395 375 1 1 . 1 1 98 98 SER N N 98 115.643 115.643 114.404 1.239 19395 376 1 1 . 1 1 98 98 SER HA H 98 4.560 4.560 4.245 0.315 19395 377 1 1 . 1 1 98 98 SER CA C 98 58.923 58.923 60.345 -1.422 19395 378 1 1 . 1 1 98 98 SER CB C 98 64.427 64.427 64.376 0.051 19395 379 1 1 . 1 1 98 98 SER H H 98 8.066 8.066 8.004 0.062 19395 380 1 1 . 1 1 99 99 CYS N N 99 115.484 115.484 116.944 -1.460 19395 381 1 1 . 1 1 99 99 CYS HA H 99 5.397 5.397 4.927 0.470 19395 382 1 1 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.897 -2.110 19395 383 1 1 . 1 1 99 99 CYS CB C 99 29.985 29.985 31.773 -1.788 19395 384 1 1 . 1 1 99 99 CYS H H 99 7.532 7.532 7.951 -0.419 19395 385 1 1 . 1 1 100 100 VAL N N 100 128.065 128.065 118.323 9.742 19395 386 1 1 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.253 0.055 19395 387 1 1 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.537 2.094 19395 388 1 1 . 1 1 100 100 VAL CB C 100 34.384 34.384 31.791 2.593 19395 389 1 1 . 1 1 100 100 VAL H H 100 8.392 8.392 8.053 0.339 19395 390 1 1 . 1 1 101 101 ALA N N 101 130.346 130.346 130.805 -0.459 19395 391 1 1 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.895 0.865 19395 392 1 1 . 1 1 101 101 ALA CA C 101 50.101 50.101 51.298 -1.197 19395 393 1 1 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.353 1.765 19395 394 1 1 . 1 1 101 101 ALA H H 101 8.882 8.882 8.163 0.719 19395 395 1 1 . 1 1 102 102 VAL N N 102 120.866 120.866 119.428 1.438 19395 396 1 1 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.647 0.976 19395 397 1 1 . 1 1 102 102 VAL CA C 102 58.795 58.795 59.688 -0.894 19395 398 1 1 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.803 -0.663 19395 399 1 1 . 1 1 102 102 VAL H H 102 9.359 9.359 8.843 0.516 19395 400 1 1 . 1 1 103 103 HIS N N 103 120.019 120.019 123.143 -3.124 19395 401 1 1 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.871 -0.088 19395 402 1 1 . 1 1 103 103 HIS CA C 103 55.292 55.292 56.498 -1.206 19395 403 1 1 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.691 2.341 19395 404 1 1 . 1 1 103 103 HIS H H 103 8.749 8.749 8.488 0.261 19395 405 1 1 . 1 1 104 104 CYS N N 104 118.175 118.175 123.250 -5.075 19395 406 1 1 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.871 -0.174 19395 407 1 1 . 1 1 104 104 CYS CA C 104 56.265 56.265 56.860 -0.595 19395 408 1 1 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.857 2.322 19395 409 1 1 . 1 1 104 104 CYS H H 104 8.428 8.428 8.374 0.054 19395 410 1 1 . 1 1 105 105 VAL N N 105 125.962 125.962 121.454 4.508 19395 411 1 1 . 1 1 105 105 VAL HA H 105 4.219 4.219 4.314 -0.095 19395 412 1 1 . 1 1 105 105 VAL CA C 105 66.483 66.483 62.448 4.035 19395 413 1 1 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.808 -0.425 19395 414 1 1 . 1 1 105 105 VAL H H 105 8.422 8.422 8.376 0.046 19395 415 1 1 . 1 1 106 106 ALA N N 106 123.180 123.180 121.829 1.351 19395 416 1 1 . 1 1 106 106 ALA HA H 106 4.695 4.695 3.858 0.837 19395 417 1 1 . 1 1 106 106 ALA CA C 106 52.862 52.862 54.016 -1.154 19395 418 1 1 . 1 1 106 106 ALA CB C 106 20.123 20.123 18.783 1.340 19395 419 1 1 . 1 1 106 106 ALA H H 106 9.997 9.997 8.428 1.569 19395 420 1 1 . 1 1 107 107 GLY N N 107 109.076 109.076 105.076 4.000 19395 421 1 1 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.965 1.654 19395 422 1 1 . 1 1 107 107 GLY H H 107 8.019 8.019 7.709 0.310 19395 423 1 1 . 1 1 108 108 LEU N N 108 117.413 117.413 123.163 -5.750 19395 424 1 1 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.735 0.729 19395 425 1 1 . 1 1 108 108 LEU CA C 108 55.782 55.782 57.163 -1.381 19395 426 1 1 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.036 4.784 19395 427 1 1 . 1 1 108 108 LEU H H 108 7.598 7.598 8.416 -0.818 19395 428 1 1 . 1 1 109 109 GLY N N 109 111.143 111.143 105.171 5.972 19395 429 1 1 . 1 1 109 109 GLY CA C 109 47.641 47.641 45.986 1.655 19395 430 1 1 . 1 1 109 109 GLY H H 109 10.576 10.576 8.228 2.348 19395 431 1 1 . 1 1 110 110 ARG N N 110 127.464 127.464 122.957 4.507 19395 432 1 1 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.879 -0.324 19395 433 1 1 . 1 1 110 110 ARG CA C 110 60.426 60.426 59.482 0.944 19395 434 1 1 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.719 2.464 19395 435 1 1 . 1 1 110 110 ARG H H 110 10.234 10.234 8.557 1.677 19395 436 1 1 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.260 -0.376 19395 437 1 1 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.392 1.140 19395 438 1 1 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.615 -0.706 19395 439 1 1 . 1 1 113 113 VAL N N 113 116.720 116.720 120.316 -3.596 19395 440 1 1 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.559 0.001 19395 441 1 1 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.984 -0.254 19395 442 1 1 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.672 -1.149 19395 443 1 1 . 1 1 113 113 VAL H H 113 8.340 8.340 8.423 -0.083 19395 444 1 1 . 1 1 114 114 LEU N N 114 119.045 119.045 119.592 -0.547 19395 445 1 1 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.316 -0.658 19395 446 1 1 . 1 1 114 114 LEU CA C 114 58.030 58.030 57.897 0.133 19395 447 1 1 . 1 1 114 114 LEU CB C 114 38.799 38.799 40.919 -2.120 19395 448 1 1 . 1 1 114 114 LEU H H 114 6.990 6.990 8.435 -1.445 19395 449 1 1 . 1 1 115 115 VAL N N 115 120.270 120.270 116.150 4.120 19395 450 1 1 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.741 -0.698 19395 451 1 1 . 1 1 115 115 VAL CA C 115 67.509 67.509 66.637 0.872 19395 452 1 1 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.294 -0.507 19395 453 1 1 . 1 1 115 115 VAL H H 115 7.188 7.188 7.830 -0.642 19395 454 1 1 . 1 1 116 116 ALA N N 116 121.280 121.280 122.802 -1.522 19395 455 1 1 . 1 1 116 116 ALA HA H 116 3.761 3.761 3.976 -0.215 19395 456 1 1 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.245 0.612 19395 457 1 1 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.231 -0.363 19395 458 1 1 . 1 1 116 116 ALA H H 116 8.649 8.649 7.790 0.859 19395 459 1 1 . 1 1 117 117 LEU N N 117 116.557 116.557 120.264 -3.707 19395 460 1 1 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.910 -0.142 19395 461 1 1 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.719 0.641 19395 462 1 1 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.802 2.265 19395 463 1 1 . 1 1 117 117 LEU H H 117 8.048 8.048 7.518 0.530 19395 464 1 1 . 1 1 118 118 ALA N N 118 119.916 119.916 119.994 -0.078 19395 465 1 1 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.478 0.591 19395 466 1 1 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.189 1.175 19395 467 1 1 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.420 1.207 19395 468 1 1 . 1 1 118 118 ALA H H 118 7.691 7.691 6.630 1.061 19395 469 1 1 . 1 1 119 119 LEU N N 119 116.962 116.962 119.419 -2.457 19395 470 1 1 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.031 -0.156 19395 471 1 1 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.501 0.924 19395 472 1 1 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.693 -1.908 19395 473 1 1 . 1 1 119 119 LEU H H 119 7.988 7.988 7.602 0.386 19395 474 1 1 . 1 1 120 120 ILE N N 120 123.209 123.209 119.437 3.772 19395 475 1 1 . 1 1 120 120 ILE HA H 120 4.749 4.749 4.101 0.648 19395 476 1 1 . 1 1 120 120 ILE CA C 120 64.104 64.104 63.957 0.147 19395 477 1 1 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.953 1.289 19395 478 1 1 . 1 1 120 120 ILE H H 120 8.643 8.643 7.958 0.685 19395 479 1 1 . 1 1 121 121 GLU N N 121 121.219 121.219 117.605 3.614 19395 480 1 1 . 1 1 121 121 GLU HA H 121 4.508 4.508 4.163 0.345 19395 481 1 1 . 1 1 121 121 GLU CA C 121 59.139 59.139 57.929 1.210 19395 482 1 1 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.794 0.439 19395 483 1 1 . 1 1 121 121 GLU H H 121 8.680 8.680 7.795 0.885 19395 484 1 1 . 1 1 122 122 SER N N 122 114.306 114.306 113.358 0.948 19395 485 1 1 . 1 1 122 122 SER HA H 122 4.783 4.783 4.334 0.449 19395 486 1 1 . 1 1 122 122 SER CA C 122 58.581 58.581 58.359 0.222 19395 487 1 1 . 1 1 122 122 SER CB C 122 64.656 64.656 64.078 0.578 19395 488 1 1 . 1 1 122 122 SER H H 122 7.834 7.834 7.583 0.251 19395 489 1 1 . 1 1 123 123 GLY N N 123 108.666 108.666 108.935 -0.269 19395 490 1 1 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.668 0.412 19395 491 1 1 . 1 1 123 123 GLY H H 123 7.902 7.902 7.585 0.317 19395 492 1 1 . 1 1 124 124 MET N N 124 123.358 123.358 120.132 3.226 19395 493 1 1 . 1 1 124 124 MET HA H 124 4.258 4.258 4.692 -0.434 19395 494 1 1 . 1 1 124 124 MET CA C 124 56.698 56.698 53.479 3.219 19395 495 1 1 . 1 1 124 124 MET CB C 124 34.104 34.104 36.578 -2.474 19395 496 1 1 . 1 1 124 124 MET H H 124 7.970 7.970 7.404 0.566 19395 497 1 1 . 1 1 125 125 LYS N N 125 125.848 125.848 124.388 1.460 19395 498 1 1 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.394 -0.101 19395 499 1 1 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.587 0.322 19395 500 1 1 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.365 0.372 19395 501 1 1 . 1 1 125 125 LYS H H 125 8.903 8.903 8.531 0.372 19395 502 1 1 . 1 1 126 126 TYR N N 126 124.016 124.016 127.743 -3.727 19395 503 1 1 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.925 0.135 19395 504 1 1 . 1 1 126 126 TYR CA C 126 61.734 61.734 63.303 -1.569 19395 505 1 1 . 1 1 126 126 TYR CB C 126 37.942 37.942 38.211 -0.269 19395 506 1 1 . 1 1 126 126 TYR H H 126 9.242 9.242 9.185 0.057 19395 507 1 1 . 1 1 127 127 GLU N N 127 119.702 119.702 118.062 1.640 19395 508 1 1 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.921 -0.528 19395 509 1 1 . 1 1 127 127 GLU CA C 127 60.215 60.215 60.604 -0.389 19395 510 1 1 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.805 0.180 19395 511 1 1 . 1 1 127 127 GLU H H 127 9.102 9.102 8.956 0.146 19395 512 1 1 . 1 1 128 128 ASP N N 128 118.661 118.661 119.074 -0.413 19395 513 1 1 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.428 -0.017 19395 514 1 1 . 1 1 128 128 ASP CA C 128 56.574 56.574 56.935 -0.361 19395 515 1 1 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.447 -0.341 19395 516 1 1 . 1 1 128 128 ASP H H 128 6.782 6.782 8.209 -1.427 19395 517 1 1 . 1 1 129 129 ALA N N 129 125.068 125.068 122.604 2.464 19395 518 1 1 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.015 0.212 19395 519 1 1 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.152 0.260 19395 520 1 1 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.362 -0.050 19395 521 1 1 . 1 1 129 129 ALA H H 129 8.365 8.365 8.401 -0.036 19395 522 1 1 . 1 1 130 130 ILE N N 130 115.533 115.533 119.237 -3.704 19395 523 1 1 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.508 -0.017 19395 524 1 1 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.529 1.587 19395 525 1 1 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.143 0.643 19395 526 1 1 . 1 1 130 130 ILE H H 130 8.044 8.044 8.468 -0.424 19395 527 1 1 . 1 1 131 131 GLN N N 131 118.503 118.503 118.082 0.421 19395 528 1 1 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.995 0.021 19395 529 1 1 . 1 1 131 131 GLN CA C 131 58.791 58.791 58.424 0.367 19395 530 1 1 . 1 1 131 131 GLN CB C 131 28.439 28.439 27.922 0.517 19395 531 1 1 . 1 1 131 131 GLN H H 131 7.426 7.426 7.797 -0.371 19395 532 1 1 . 1 1 132 132 PHE N N 132 120.679 120.679 121.341 -0.662 19395 533 1 1 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.262 0.061 19395 534 1 1 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.196 -0.021 19395 535 1 1 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.069 0.781 19395 536 1 1 . 1 1 132 132 PHE H H 132 8.416 8.416 7.623 0.793 19395 537 1 1 . 1 1 133 133 ILE N N 133 116.466 116.466 115.784 0.682 19395 538 1 1 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.562 -0.073 19395 539 1 1 . 1 1 133 133 ILE CA C 133 63.997 63.997 63.992 0.005 19395 540 1 1 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.779 -0.218 19395 541 1 1 . 1 1 133 133 ILE H H 133 7.964 7.964 7.826 0.138 19395 542 1 1 . 1 1 134 134 ARG N N 134 119.204 119.204 121.180 -1.976 19395 543 1 1 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.480 -0.158 19395 544 1 1 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.172 0.988 19395 545 1 1 . 1 1 134 134 ARG CB C 134 30.212 30.212 31.045 -0.833 19395 546 1 1 . 1 1 134 134 ARG H H 134 8.449 8.449 8.424 0.025 19395 547 1 1 . 1 1 135 135 GLN N N 135 117.511 117.511 118.400 -0.889 19395 548 1 1 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.230 -0.193 19395 549 1 1 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.177 0.160 19395 550 1 1 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.829 -0.391 19395 551 1 1 . 1 1 135 135 GLN H H 135 7.829 7.829 7.926 -0.097 19395 552 1 1 . 1 1 136 136 LYS N N 136 116.364 116.364 117.770 -1.406 19395 553 1 1 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.314 -0.020 19395 554 1 1 . 1 1 136 136 LYS CA C 136 56.209 56.209 56.198 0.011 19395 555 1 1 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.099 0.880 19395 556 1 1 . 1 1 136 136 LYS H H 136 7.280 7.280 7.806 -0.526 19395 557 1 1 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.392 -0.547 19395 558 1 1 . 1 1 140 140 ALA N N 140 121.841 121.841 129.271 -7.430 19395 559 1 1 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.159 0.197 19395 560 1 1 . 1 1 140 140 ALA CA C 140 53.327 53.327 54.277 -0.950 19395 561 1 1 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.519 0.055 19395 562 1 1 . 1 1 140 140 ALA H H 140 7.553 7.553 8.289 -0.736 19395 563 1 1 . 1 1 141 141 ILE N N 141 113.228 113.228 117.543 -4.315 19395 564 1 1 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.041 -0.703 19395 565 1 1 . 1 1 141 141 ILE CA C 141 65.889 65.889 60.696 5.193 19395 566 1 1 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.290 -4.102 19395 567 1 1 . 1 1 141 141 ILE H H 141 8.744 8.744 8.127 0.617 19395 568 1 1 . 1 1 142 142 ASN N N 142 126.808 126.808 118.336 8.472 19395 569 1 1 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.400 0.323 19395 570 1 1 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.260 -3.177 19395 571 1 1 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.488 -0.558 19395 572 1 1 . 1 1 142 142 ASN H H 142 8.538 8.538 8.203 0.335 19395 573 1 1 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.984 0.183 19395 574 1 1 . 1 1 145 145 GLN N N 145 120.931 120.931 117.995 2.936 19395 575 1 1 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.196 -0.461 19395 576 1 1 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.362 0.473 19395 577 1 1 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.777 0.026 19395 578 1 1 . 1 1 145 145 GLN H H 145 8.737 8.737 8.232 0.505 19395 579 1 1 . 1 1 146 146 LEU N N 146 122.433 122.433 120.157 2.276 19395 580 1 1 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.476 -0.500 19395 581 1 1 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.058 0.955 19395 582 1 1 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.586 0.210 19395 583 1 1 . 1 1 146 146 LEU H H 146 8.917 8.917 8.070 0.847 19395 584 1 1 . 1 1 147 147 THR N N 147 115.378 115.378 112.057 3.321 19395 585 1 1 . 1 1 147 147 THR HA H 147 3.936 3.936 3.940 -0.004 19395 586 1 1 . 1 1 147 147 THR CA C 147 66.512 66.512 65.625 0.887 19395 587 1 1 . 1 1 147 147 THR CB C 147 68.865 68.865 68.908 -0.043 19395 588 1 1 . 1 1 147 147 THR H H 147 7.948 7.948 7.789 0.159 19395 589 1 1 . 1 1 148 148 TYR N N 148 120.402 120.402 123.392 -2.990 19395 590 1 1 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.127 -0.045 19395 591 1 1 . 1 1 148 148 TYR CA C 148 61.195 61.195 60.935 0.260 19395 592 1 1 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.072 -0.095 19395 593 1 1 . 1 1 148 148 TYR H H 148 7.366 7.366 7.941 -0.575 19395 594 1 1 . 1 1 149 149 LEU N N 149 119.957 119.957 118.106 1.851 19395 595 1 1 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.355 0.373 19395 596 1 1 . 1 1 149 149 LEU CA C 149 57.541 57.541 55.865 1.676 19395 597 1 1 . 1 1 149 149 LEU CB C 149 42.563 42.563 39.741 2.822 19395 598 1 1 . 1 1 149 149 LEU H H 149 7.968 7.968 7.321 0.647 19395 599 1 1 . 1 1 150 150 GLU N N 150 120.132 120.132 117.994 2.138 19395 600 1 1 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.941 -1.558 19395 601 1 1 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.748 -0.286 19395 602 1 1 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.618 -0.037 19395 603 1 1 . 1 1 150 150 GLU H H 150 8.305 8.305 7.335 0.970 19395 604 1 1 . 1 1 151 151 LYS N N 151 114.600 114.600 115.478 -0.878 19395 605 1 1 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.243 -0.172 19395 606 1 1 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.320 -0.688 19395 607 1 1 . 1 1 151 151 LYS CB C 151 32.947 32.947 34.358 -1.411 19395 608 1 1 . 1 1 151 151 LYS H H 151 7.106 7.106 7.366 -0.260 19395 609 1 1 . 1 1 152 152 TYR N N 152 123.664 123.664 122.399 1.265 19395 610 1 1 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.256 -0.481 19395 611 1 1 . 1 1 152 152 TYR CA C 152 59.659 59.659 58.691 0.968 19395 612 1 1 . 1 1 152 152 TYR CB C 152 38.245 38.245 39.199 -0.954 19395 613 1 1 . 1 1 152 152 TYR H H 152 7.187 7.187 7.612 -0.425 19395 614 1 1 . 1 1 153 153 ARG N N 153 130.321 130.321 124.699 5.622 19395 615 1 1 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.645 0.120 19395 616 1 1 . 1 1 153 153 ARG CA C 153 51.513 51.513 52.156 -0.643 19395 617 1 1 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.338 -1.158 19395 618 1 1 . 1 1 153 153 ARG H H 153 7.760 7.760 7.796 -0.036 19395 619 1 1 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.690 -0.050 19395 620 1 1 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.650 -0.595 19395 621 1 1 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.917 0.686 19395 622 1 1 . 1 1 155 155 LYS N N 155 122.066 122.066 123.274 -1.208 19395 623 1 1 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.177 0.261 19395 624 1 1 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.649 -0.726 19395 625 1 1 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.461 0.982 19395 626 1 1 . 1 1 155 155 LYS H H 155 9.586 9.586 8.620 0.966 19395 627 1 1 . 1 1 156 156 GLN N N 156 117.702 117.702 115.359 2.343 19395 628 1 1 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.230 0.136 19395 629 1 1 . 1 1 156 156 GLN CA C 156 56.549 56.549 56.760 -0.210 19395 630 1 1 . 1 1 156 156 GLN CB C 156 26.728 26.728 26.609 0.119 19395 631 1 1 . 1 1 156 156 GLN H H 156 8.334 8.334 8.041 0.293 19395 632 1 1 . 1 1 157 157 ARG N N 157 117.466 117.466 121.119 -3.653 19395 633 1 1 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.461 -0.306 19395 634 1 1 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.376 0.646 19395 635 1 1 . 1 1 157 157 ARG CB C 157 30.769 30.769 31.286 -0.517 19395 636 1 1 . 1 1 157 157 ARG H H 157 8.983 8.983 8.512 0.471 19395 637 1 1 . 1 1 158 158 LEU N N 158 117.973 117.973 118.281 -0.308 19395 638 1 1 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.433 0.196 19395 639 1 1 . 1 1 158 158 LEU CA C 158 53.469 53.469 55.554 -2.085 19395 640 1 1 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.459 -0.954 19395 641 1 1 . 1 1 158 158 LEU H H 158 8.123 8.123 8.053 0.070 19395 642 1 1 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.069 0.044 19395 643 1 1 . 1 1 161 161 LYS CA C 161 56.487 56.487 56.398 0.090 19395 644 1 1 . 1 1 161 161 LYS CB C 161 33.174 33.174 33.251 -0.077 19395 645 1 1 . 1 1 161 161 LYS H H 161 7.856 7.856 8.339 -0.483 19395 646 1 2 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.358 -0.011 19395 647 1 2 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.739 -0.201 19395 648 1 2 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.358 -0.565 19395 649 1 2 . 1 1 8 8 ALA N N 8 126.708 126.708 126.513 0.195 19395 650 1 2 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.839 -0.228 19395 651 1 2 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.533 0.775 19395 652 1 2 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.318 -1.113 19395 653 1 2 . 1 1 8 8 ALA H H 8 8.399 8.399 8.245 0.154 19395 654 1 2 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.359 0.291 19395 655 1 2 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.349 0.235 19395 656 1 2 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.760 -0.249 19395 657 1 2 . 1 1 10 10 VAL N N 10 118.581 118.581 119.615 -1.034 19395 658 1 2 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.294 0.007 19395 659 1 2 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.540 -0.707 19395 660 1 2 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.433 0.244 19395 661 1 2 . 1 1 10 10 VAL H H 10 8.025 8.025 8.048 -0.023 19395 662 1 2 . 1 1 11 11 GLU N N 11 129.673 129.673 129.440 0.233 19395 663 1 2 . 1 1 11 11 GLU HA H 11 5.085 5.085 4.980 0.105 19395 664 1 2 . 1 1 11 11 GLU CA C 11 54.747 54.747 54.804 -0.057 19395 665 1 2 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.285 0.844 19395 666 1 2 . 1 1 11 11 GLU H H 11 8.723 8.723 8.826 -0.103 19395 667 1 2 . 1 1 12 12 VAL N N 12 127.093 127.093 128.391 -1.298 19395 668 1 2 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.487 -0.204 19395 669 1 2 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.142 1.454 19395 670 1 2 . 1 1 12 12 VAL CB C 12 34.546 34.546 32.972 1.574 19395 671 1 2 . 1 1 12 12 VAL H H 12 9.247 9.247 8.576 0.671 19395 672 1 2 . 1 1 13 13 SER N N 13 123.385 123.385 125.429 -2.044 19395 673 1 2 . 1 1 13 13 SER HA H 13 5.302 5.302 4.845 0.457 19395 674 1 2 . 1 1 13 13 SER CA C 13 56.409 56.409 57.992 -1.583 19395 675 1 2 . 1 1 13 13 SER CB C 13 64.981 64.981 63.441 1.540 19395 676 1 2 . 1 1 13 13 SER H H 13 9.001 9.001 8.308 0.693 19395 677 1 2 . 1 1 14 14 TYR N N 14 124.413 124.413 128.196 -3.783 19395 678 1 2 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.552 -0.015 19395 679 1 2 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.618 0.615 19395 680 1 2 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.861 1.718 19395 681 1 2 . 1 1 14 14 TYR H H 14 8.347 8.347 9.026 -0.679 19395 682 1 2 . 1 1 15 15 LYS N N 15 125.130 125.130 119.785 5.345 19395 683 1 2 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.910 -0.511 19395 684 1 2 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.323 0.051 19395 685 1 2 . 1 1 15 15 LYS CB C 15 29.894 29.894 31.774 -1.881 19395 686 1 2 . 1 1 15 15 LYS H H 15 8.820 8.820 8.250 0.570 19395 687 1 2 . 1 1 16 16 HIS N N 16 121.278 121.278 115.816 5.462 19395 688 1 2 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.642 -0.192 19395 689 1 2 . 1 1 16 16 HIS CA C 16 56.738 56.738 54.897 1.841 19395 690 1 2 . 1 1 16 16 HIS CB C 16 30.229 30.229 30.292 -0.063 19395 691 1 2 . 1 1 16 16 HIS H H 16 8.784 8.784 8.290 0.494 19395 692 1 2 . 1 1 17 17 MET N N 17 120.113 120.113 114.398 5.715 19395 693 1 2 . 1 1 17 17 MET HA H 17 2.326 2.326 4.823 -2.497 19395 694 1 2 . 1 1 17 17 MET CA C 17 54.714 54.714 55.114 -0.400 19395 695 1 2 . 1 1 17 17 MET CB C 17 34.848 34.848 35.832 -0.984 19395 696 1 2 . 1 1 17 17 MET H H 17 8.106 8.106 7.432 0.674 19395 697 1 2 . 1 1 18 18 ARG N N 18 121.252 121.252 120.984 0.268 19395 698 1 2 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.372 -0.533 19395 699 1 2 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.472 0.322 19395 700 1 2 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.421 0.395 19395 701 1 2 . 1 1 18 18 ARG H H 18 5.904 5.904 8.600 -2.696 19395 702 1 2 . 1 1 19 19 PHE N N 19 121.195 121.195 123.165 -1.970 19395 703 1 2 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.425 0.575 19395 704 1 2 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.353 0.265 19395 705 1 2 . 1 1 19 19 PHE CB C 19 43.616 43.616 42.797 0.819 19395 706 1 2 . 1 1 19 19 PHE H H 19 9.178 9.178 9.322 -0.144 19395 707 1 2 . 1 1 20 20 LEU N N 20 123.804 123.804 121.639 2.165 19395 708 1 2 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.159 -0.049 19395 709 1 2 . 1 1 20 20 LEU CA C 20 52.568 52.568 54.028 -1.460 19395 710 1 2 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.874 2.009 19395 711 1 2 . 1 1 20 20 LEU H H 20 8.601 8.601 9.280 -0.679 19395 712 1 2 . 1 1 21 21 ILE N N 21 126.661 126.661 123.591 3.070 19395 713 1 2 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.243 -0.112 19395 714 1 2 . 1 1 21 21 ILE CA C 21 60.828 60.828 59.110 1.718 19395 715 1 2 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.251 0.958 19395 716 1 2 . 1 1 21 21 ILE H H 21 9.323 9.323 9.186 0.137 19395 717 1 2 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.486 -0.157 19395 718 1 2 . 1 1 25 25 PRO CA C 25 61.818 61.818 62.885 -1.067 19395 719 1 2 . 1 1 25 25 PRO CB C 25 32.524 32.524 32.619 -0.095 19395 720 1 2 . 1 1 26 26 THR N N 26 131.812 131.812 113.054 18.758 19395 721 1 2 . 1 1 26 26 THR H H 26 6.781 6.781 8.380 -1.599 19395 722 1 2 . 1 1 28 28 ALA HA H 28 4.344 4.344 3.970 0.374 19395 723 1 2 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.640 0.381 19395 724 1 2 . 1 1 28 28 ALA CB C 28 19.183 19.183 18.665 0.518 19395 725 1 2 . 1 1 29 29 THR N N 29 104.375 104.375 112.080 -7.705 19395 726 1 2 . 1 1 29 29 THR HA H 29 4.847 4.847 4.167 0.680 19395 727 1 2 . 1 1 29 29 THR CA C 29 60.370 60.370 61.972 -1.602 19395 728 1 2 . 1 1 29 29 THR CB C 29 69.135 69.135 69.703 -0.568 19395 729 1 2 . 1 1 29 29 THR H H 29 7.642 7.642 7.212 0.430 19395 730 1 2 . 1 1 30 30 LEU N N 30 124.383 124.383 120.058 4.325 19395 731 1 2 . 1 1 30 30 LEU HA H 30 4.013 4.013 4.035 -0.022 19395 732 1 2 . 1 1 30 30 LEU CA C 30 57.711 57.711 55.521 2.190 19395 733 1 2 . 1 1 30 30 LEU CB C 30 42.354 42.354 41.204 1.150 19395 734 1 2 . 1 1 30 30 LEU H H 30 7.356 7.356 7.610 -0.254 19395 735 1 2 . 1 1 31 31 SER N N 31 111.792 111.792 116.421 -4.629 19395 736 1 2 . 1 1 31 31 SER H H 31 6.915 6.915 8.425 -1.510 19395 737 1 2 . 1 1 32 32 THR N N 32 116.374 116.374 116.547 -0.173 19395 738 1 2 . 1 1 32 32 THR HA H 32 4.109 4.109 4.260 -0.151 19395 739 1 2 . 1 1 32 32 THR CA C 32 65.142 65.142 64.859 0.283 19395 740 1 2 . 1 1 32 32 THR CB C 32 68.628 68.628 68.596 0.032 19395 741 1 2 . 1 1 32 32 THR H H 32 7.589 7.589 7.871 -0.282 19395 742 1 2 . 1 1 33 33 PHE N N 33 124.790 124.790 120.860 3.930 19395 743 1 2 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.488 -0.013 19395 744 1 2 . 1 1 33 33 PHE CA C 33 61.050 61.050 61.013 0.037 19395 745 1 2 . 1 1 33 33 PHE CB C 33 39.839 39.839 37.761 2.078 19395 746 1 2 . 1 1 33 33 PHE H H 33 7.644 7.644 8.066 -0.422 19395 747 1 2 . 1 1 34 34 ILE N N 34 117.776 117.776 117.869 -0.093 19395 748 1 2 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.665 -0.318 19395 749 1 2 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.371 1.651 19395 750 1 2 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.383 -5.737 19395 751 1 2 . 1 1 34 34 ILE H H 34 8.535 8.535 7.650 0.885 19395 752 1 2 . 1 1 35 35 GLU N N 35 119.202 119.202 119.064 0.138 19395 753 1 2 . 1 1 35 35 GLU HA H 35 3.927 3.927 4.025 -0.098 19395 754 1 2 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.760 -0.014 19395 755 1 2 . 1 1 35 35 GLU CB C 35 29.375 29.375 28.962 0.413 19395 756 1 2 . 1 1 35 35 GLU H H 35 7.512 7.512 7.736 -0.224 19395 757 1 2 . 1 1 36 36 ASP N N 36 121.117 121.117 120.558 0.559 19395 758 1 2 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.511 0.043 19395 759 1 2 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.118 0.820 19395 760 1 2 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.383 -0.264 19395 761 1 2 . 1 1 36 36 ASP H H 36 8.049 8.049 8.228 -0.179 19395 762 1 2 . 1 1 37 37 LEU N N 37 119.257 119.257 116.950 2.307 19395 763 1 2 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.311 -0.558 19395 764 1 2 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.879 0.624 19395 765 1 2 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.238 -1.278 19395 766 1 2 . 1 1 37 37 LEU H H 37 8.016 8.016 7.960 0.056 19395 767 1 2 . 1 1 38 38 LYS N N 38 117.743 117.743 119.955 -2.212 19395 768 1 2 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.194 -0.096 19395 769 1 2 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.385 -0.081 19395 770 1 2 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.847 -0.579 19395 771 1 2 . 1 1 38 38 LYS H H 38 8.336 8.336 8.183 0.153 19395 772 1 2 . 1 1 39 39 LYS N N 39 122.164 122.164 118.001 4.163 19395 773 1 2 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.120 0.036 19395 774 1 2 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.867 0.566 19395 775 1 2 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.100 0.311 19395 776 1 2 . 1 1 39 39 LYS H H 39 8.113 8.113 8.192 -0.079 19395 777 1 2 . 1 1 40 40 TYR N N 40 114.347 114.347 118.749 -4.402 19395 778 1 2 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.388 0.007 19395 779 1 2 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.782 -0.132 19395 780 1 2 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.454 1.242 19395 781 1 2 . 1 1 40 40 TYR H H 40 7.626 7.626 7.835 -0.209 19395 782 1 2 . 1 1 41 41 GLY N N 41 109.921 109.921 105.168 4.753 19395 783 1 2 . 1 1 41 41 GLY CA C 41 46.766 46.766 45.126 1.641 19395 784 1 2 . 1 1 41 41 GLY H H 41 7.878 7.878 7.329 0.549 19395 785 1 2 . 1 1 42 42 ALA N N 42 123.757 123.757 122.805 0.952 19395 786 1 2 . 1 1 42 42 ALA HA H 42 5.158 5.158 5.110 0.048 19395 787 1 2 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.764 0.374 19395 788 1 2 . 1 1 42 42 ALA CB C 42 19.909 19.909 21.238 -1.329 19395 789 1 2 . 1 1 42 42 ALA H H 42 8.544 8.544 8.339 0.205 19395 790 1 2 . 1 1 43 43 THR N N 43 109.574 109.574 114.324 -4.750 19395 791 1 2 . 1 1 43 43 THR HA H 43 4.479 4.479 4.464 0.015 19395 792 1 2 . 1 1 43 43 THR CA C 43 61.144 61.144 61.076 0.068 19395 793 1 2 . 1 1 43 43 THR CB C 43 69.180 69.180 68.241 0.939 19395 794 1 2 . 1 1 43 43 THR H H 43 7.969 7.969 8.515 -0.546 19395 795 1 2 . 1 1 44 44 THR N N 44 118.101 118.101 116.955 1.146 19395 796 1 2 . 1 1 44 44 THR HA H 44 5.226 5.226 5.005 0.221 19395 797 1 2 . 1 1 44 44 THR CA C 44 62.061 62.061 61.587 0.474 19395 798 1 2 . 1 1 44 44 THR CB C 44 72.595 72.595 72.348 0.247 19395 799 1 2 . 1 1 44 44 THR H H 44 7.458 7.458 7.476 -0.018 19395 800 1 2 . 1 1 45 45 VAL N N 45 127.571 127.571 123.939 3.632 19395 801 1 2 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.375 0.327 19395 802 1 2 . 1 1 45 45 VAL CA C 45 60.504 60.504 59.697 0.807 19395 803 1 2 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.362 2.820 19395 804 1 2 . 1 1 45 45 VAL H H 45 9.398 9.398 9.077 0.321 19395 805 1 2 . 1 1 46 46 VAL N N 46 129.011 129.011 121.303 7.708 19395 806 1 2 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.214 0.116 19395 807 1 2 . 1 1 46 46 VAL CA C 46 61.517 61.517 61.937 -0.420 19395 808 1 2 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.803 2.429 19395 809 1 2 . 1 1 46 46 VAL H H 46 9.342 9.342 8.596 0.746 19395 810 1 2 . 1 1 47 47 ARG N N 47 129.852 129.852 119.755 10.097 19395 811 1 2 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.091 0.204 19395 812 1 2 . 1 1 47 47 ARG CA C 47 56.019 56.019 57.336 -1.317 19395 813 1 2 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.053 0.764 19395 814 1 2 . 1 1 47 47 ARG H H 47 9.037 9.037 8.028 1.009 19395 815 1 2 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.800 -0.866 19395 816 1 2 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.495 -1.807 19395 817 1 2 . 1 1 49 49 CYS CB C 49 41.121 41.121 28.048 13.073 19395 818 1 2 . 1 1 50 50 GLU N N 50 114.931 114.931 121.467 -6.536 19395 819 1 2 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.241 -0.155 19395 820 1 2 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.558 -0.258 19395 821 1 2 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.502 1.944 19395 822 1 2 . 1 1 50 50 GLU H H 50 8.669 8.669 8.308 0.361 19395 823 1 2 . 1 1 51 51 VAL N N 51 122.453 122.453 118.567 3.886 19395 824 1 2 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.152 -0.731 19395 825 1 2 . 1 1 51 51 VAL CA C 51 64.120 64.120 62.715 1.405 19395 826 1 2 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.533 -0.503 19395 827 1 2 . 1 1 51 51 VAL H H 51 8.356 8.356 7.848 0.508 19395 828 1 2 . 1 1 52 52 THR N N 52 118.382 118.382 114.508 3.874 19395 829 1 2 . 1 1 52 52 THR HA H 52 4.525 4.525 4.528 -0.003 19395 830 1 2 . 1 1 52 52 THR CA C 52 61.197 61.197 61.418 -0.221 19395 831 1 2 . 1 1 52 52 THR CB C 52 69.429 69.429 69.045 0.384 19395 832 1 2 . 1 1 52 52 THR H H 52 8.936 8.936 8.037 0.899 19395 833 1 2 . 1 1 53 53 TYR N N 53 116.747 116.747 120.116 -3.369 19395 834 1 2 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.795 -0.033 19395 835 1 2 . 1 1 53 53 TYR CA C 53 55.653 55.653 57.183 -1.530 19395 836 1 2 . 1 1 53 53 TYR CB C 53 39.833 39.833 40.385 -0.552 19395 837 1 2 . 1 1 53 53 TYR H H 53 7.040 7.040 7.802 -0.762 19395 838 1 2 . 1 1 54 54 ASP N N 54 123.720 123.720 123.809 -0.089 19395 839 1 2 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.351 0.157 19395 840 1 2 . 1 1 54 54 ASP CA C 54 53.571 53.571 53.177 0.394 19395 841 1 2 . 1 1 54 54 ASP CB C 54 41.364 41.364 41.688 -0.324 19395 842 1 2 . 1 1 54 54 ASP H H 54 9.280 9.280 8.180 1.100 19395 843 1 2 . 1 1 55 55 LYS N N 55 121.455 121.455 123.571 -2.116 19395 844 1 2 . 1 1 55 55 LYS HA H 55 4.519 4.519 3.786 0.733 19395 845 1 2 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.499 0.445 19395 846 1 2 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.150 1.790 19395 847 1 2 . 1 1 55 55 LYS H H 55 8.497 8.497 8.144 0.353 19395 848 1 2 . 1 1 56 56 THR N N 56 120.743 120.743 118.436 2.307 19395 849 1 2 . 1 1 56 56 THR HA H 56 4.120 4.120 4.526 -0.406 19395 850 1 2 . 1 1 56 56 THR CA C 56 68.652 68.652 64.147 4.505 19395 851 1 2 . 1 1 56 56 THR CB C 56 66.508 66.508 68.360 -1.852 19395 852 1 2 . 1 1 56 56 THR H H 56 8.701 8.701 8.104 0.597 19395 853 1 2 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.454 -0.163 19395 854 1 2 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.476 0.357 19395 855 1 2 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.314 0.076 19395 856 1 2 . 1 1 58 58 LEU N N 58 116.313 116.313 118.320 -2.007 19395 857 1 2 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.003 0.051 19395 858 1 2 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.670 1.472 19395 859 1 2 . 1 1 58 58 LEU CB C 58 40.354 40.354 39.792 0.562 19395 860 1 2 . 1 1 58 58 LEU H H 58 7.170 7.170 8.411 -1.241 19395 861 1 2 . 1 1 59 59 GLU N N 59 120.470 120.470 119.590 0.880 19395 862 1 2 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.027 0.364 19395 863 1 2 . 1 1 59 59 GLU CA C 59 59.104 59.104 58.808 0.296 19395 864 1 2 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.035 0.291 19395 865 1 2 . 1 1 59 59 GLU H H 59 7.794 7.794 8.608 -0.814 19395 866 1 2 . 1 1 60 60 LYS N N 60 119.911 119.911 117.767 2.144 19395 867 1 2 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.231 -0.123 19395 868 1 2 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.063 1.492 19395 869 1 2 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.105 -0.042 19395 870 1 2 . 1 1 60 60 LYS H H 60 8.246 8.246 7.845 0.401 19395 871 1 2 . 1 1 61 61 ASP N N 61 119.142 119.142 117.368 1.774 19395 872 1 2 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.711 0.259 19395 873 1 2 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.140 -0.361 19395 874 1 2 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.765 1.122 19395 875 1 2 . 1 1 61 61 ASP H H 61 7.235 7.235 7.554 -0.319 19395 876 1 2 . 1 1 62 62 GLY N N 62 105.820 105.820 107.741 -1.921 19395 877 1 2 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.890 0.152 19395 878 1 2 . 1 1 62 62 GLY H H 62 7.742 7.742 7.534 0.208 19395 879 1 2 . 1 1 63 63 ILE N N 63 123.074 123.074 119.885 3.189 19395 880 1 2 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.166 0.172 19395 881 1 2 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.317 -0.787 19395 882 1 2 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.526 -1.008 19395 883 1 2 . 1 1 63 63 ILE H H 63 7.870 7.870 7.831 0.039 19395 884 1 2 . 1 1 64 64 THR N N 64 123.510 123.510 123.584 -0.074 19395 885 1 2 . 1 1 64 64 THR HA H 64 4.316 4.316 4.334 -0.018 19395 886 1 2 . 1 1 64 64 THR CA C 64 63.015 63.015 62.447 0.568 19395 887 1 2 . 1 1 64 64 THR CB C 64 70.376 70.376 69.461 0.915 19395 888 1 2 . 1 1 64 64 THR H H 64 8.200 8.200 8.788 -0.588 19395 889 1 2 . 1 1 65 65 VAL N N 65 128.299 128.299 128.103 0.196 19395 890 1 2 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.005 1.043 19395 891 1 2 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.276 -1.229 19395 892 1 2 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.480 0.638 19395 893 1 2 . 1 1 65 65 VAL H H 65 8.919 8.919 8.696 0.223 19395 894 1 2 . 1 1 66 66 VAL N N 66 129.962 129.962 129.580 0.382 19395 895 1 2 . 1 1 66 66 VAL HA H 66 3.927 3.927 4.090 -0.163 19395 896 1 2 . 1 1 66 66 VAL CA C 66 60.683 60.683 60.296 0.387 19395 897 1 2 . 1 1 66 66 VAL CB C 66 33.620 33.620 30.808 2.812 19395 898 1 2 . 1 1 66 66 VAL H H 66 9.145 9.145 8.206 0.939 19395 899 1 2 . 1 1 67 67 ASP N N 67 126.437 126.437 124.199 2.238 19395 900 1 2 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.809 0.510 19395 901 1 2 . 1 1 67 67 ASP CA C 67 54.170 54.170 52.546 1.624 19395 902 1 2 . 1 1 67 67 ASP CB C 67 43.071 43.071 40.918 2.153 19395 903 1 2 . 1 1 67 67 ASP H H 67 8.099 8.099 7.961 0.138 19395 904 1 2 . 1 1 68 68 TRP N N 68 125.863 125.863 123.240 2.623 19395 905 1 2 . 1 1 68 68 TRP HA H 68 5.540 5.540 5.004 0.536 19395 906 1 2 . 1 1 68 68 TRP CA C 68 51.631 51.631 53.383 -1.752 19395 907 1 2 . 1 1 68 68 TRP CB C 68 30.303 30.303 30.544 -0.241 19395 908 1 2 . 1 1 68 68 TRP H H 68 8.305 8.305 7.732 0.573 19395 909 1 2 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.740 -0.755 19395 910 1 2 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.023 -0.080 19395 911 1 2 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.517 1.027 19395 912 1 2 . 1 1 70 70 PHE N N 70 113.153 113.153 119.514 -6.361 19395 913 1 2 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.369 0.391 19395 914 1 2 . 1 1 70 70 PHE CA C 70 56.067 56.067 58.751 -2.684 19395 915 1 2 . 1 1 70 70 PHE CB C 70 39.334 39.334 39.154 0.180 19395 916 1 2 . 1 1 70 70 PHE H H 70 7.237 7.237 8.289 -1.052 19395 917 1 2 . 1 1 71 71 ASP N N 71 120.632 120.632 120.171 0.461 19395 918 1 2 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.537 -0.255 19395 919 1 2 . 1 1 71 71 ASP CA C 71 55.907 55.907 54.621 1.286 19395 920 1 2 . 1 1 71 71 ASP CB C 71 41.099 41.099 38.742 2.357 19395 921 1 2 . 1 1 71 71 ASP H H 71 8.514 8.514 8.032 0.482 19395 922 1 2 . 1 1 73 73 GLY H H 73 8.510 8.510 8.043 0.467 19395 923 1 2 . 1 1 74 74 ALA N N 74 123.138 123.138 124.024 -0.886 19395 924 1 2 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.706 0.134 19395 925 1 2 . 1 1 74 74 ALA CA C 74 50.106 50.106 49.873 0.233 19395 926 1 2 . 1 1 74 74 ALA CB C 74 20.264 20.264 19.436 0.828 19395 927 1 2 . 1 1 74 74 ALA H H 74 7.833 7.833 7.772 0.061 19395 928 1 2 . 1 1 75 75 PRO CB C 75 31.456 31.456 30.630 0.826 19395 929 1 2 . 1 1 79 79 LYS N N 79 119.944 119.944 121.876 -1.932 19395 930 1 2 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.418 -0.478 19395 931 1 2 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.678 1.146 19395 932 1 2 . 1 1 79 79 LYS CB C 79 32.310 32.310 33.278 -0.968 19395 933 1 2 . 1 1 79 79 LYS H H 79 8.425 8.425 7.355 1.070 19395 934 1 2 . 1 1 80 80 VAL N N 80 116.231 116.231 119.754 -3.523 19395 935 1 2 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.595 -0.200 19395 936 1 2 . 1 1 80 80 VAL CA C 80 64.913 64.913 65.421 -0.508 19395 937 1 2 . 1 1 80 80 VAL CB C 80 31.293 31.293 30.784 0.509 19395 938 1 2 . 1 1 80 80 VAL H H 80 6.338 6.338 8.030 -1.692 19395 939 1 2 . 1 1 81 81 VAL N N 81 118.082 118.082 115.685 2.397 19395 940 1 2 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.661 -0.476 19395 941 1 2 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.227 2.397 19395 942 1 2 . 1 1 81 81 VAL CB C 81 31.645 31.645 30.695 0.950 19395 943 1 2 . 1 1 81 81 VAL H H 81 7.362 7.362 7.997 -0.635 19395 944 1 2 . 1 1 82 82 GLU N N 82 117.196 117.196 118.865 -1.669 19395 945 1 2 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.984 -0.048 19395 946 1 2 . 1 1 82 82 GLU CA C 82 59.494 59.494 60.120 -0.626 19395 947 1 2 . 1 1 82 82 GLU CB C 82 29.451 29.451 28.935 0.516 19395 948 1 2 . 1 1 82 82 GLU H H 82 7.878 7.878 7.671 0.207 19395 949 1 2 . 1 1 83 83 ASP N N 83 121.828 121.828 120.372 1.456 19395 950 1 2 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.577 -0.338 19395 951 1 2 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.929 0.350 19395 952 1 2 . 1 1 83 83 ASP CB C 83 38.149 38.149 40.721 -2.572 19395 953 1 2 . 1 1 83 83 ASP H H 83 8.156 8.156 7.646 0.510 19395 954 1 2 . 1 1 84 84 TRP N N 84 124.374 124.374 122.438 1.936 19395 955 1 2 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.499 0.425 19395 956 1 2 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.595 -0.573 19395 957 1 2 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.751 0.059 19395 958 1 2 . 1 1 84 84 TRP H H 84 8.939 8.939 7.931 1.008 19395 959 1 2 . 1 1 85 85 LEU N N 85 117.918 117.918 117.400 0.518 19395 960 1 2 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.125 -0.365 19395 961 1 2 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.621 0.377 19395 962 1 2 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.478 0.850 19395 963 1 2 . 1 1 85 85 LEU H H 85 8.723 8.723 8.163 0.560 19395 964 1 2 . 1 1 86 86 SER N N 86 114.182 114.182 115.069 -0.887 19395 965 1 2 . 1 1 86 86 SER HA H 86 4.187 4.187 4.204 -0.017 19395 966 1 2 . 1 1 86 86 SER CA C 86 61.997 61.997 61.443 0.554 19395 967 1 2 . 1 1 86 86 SER CB C 86 62.984 62.984 63.213 -0.229 19395 968 1 2 . 1 1 86 86 SER H H 86 8.067 8.067 8.155 -0.088 19395 969 1 2 . 1 1 87 87 LEU N N 87 125.441 125.441 122.864 2.577 19395 970 1 2 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.137 0.073 19395 971 1 2 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.263 0.674 19395 972 1 2 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.483 1.097 19395 973 1 2 . 1 1 87 87 LEU H H 87 8.300 8.300 8.142 0.158 19395 974 1 2 . 1 1 88 88 VAL N N 88 116.784 116.784 117.023 -0.239 19395 975 1 2 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.781 -0.715 19395 976 1 2 . 1 1 88 88 VAL CA C 88 66.385 66.385 66.701 -0.315 19395 977 1 2 . 1 1 88 88 VAL CB C 88 30.764 30.764 30.587 0.177 19395 978 1 2 . 1 1 88 88 VAL H H 88 8.468 8.468 8.053 0.415 19395 979 1 2 . 1 1 89 89 LYS N N 89 118.569 118.569 119.456 -0.887 19395 980 1 2 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.331 -0.306 19395 981 1 2 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.392 1.084 19395 982 1 2 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.282 0.574 19395 983 1 2 . 1 1 89 89 LYS H H 89 7.652 7.652 8.286 -0.634 19395 984 1 2 . 1 1 90 90 ALA N N 90 119.043 119.043 121.720 -2.677 19395 985 1 2 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.344 -0.193 19395 986 1 2 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.935 1.110 19395 987 1 2 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.794 -1.340 19395 988 1 2 . 1 1 90 90 ALA H H 90 7.616 7.616 8.111 -0.495 19395 989 1 2 . 1 1 91 91 LYS N N 91 117.654 117.654 120.230 -2.576 19395 990 1 2 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.975 -0.038 19395 991 1 2 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.080 -1.326 19395 992 1 2 . 1 1 91 91 LYS CB C 91 30.163 30.163 32.012 -1.849 19395 993 1 2 . 1 1 91 91 LYS H H 91 8.658 8.658 8.639 0.019 19395 994 1 2 . 1 1 92 92 PHE N N 92 113.471 113.471 119.511 -6.040 19395 995 1 2 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.380 0.239 19395 996 1 2 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.969 -1.375 19395 997 1 2 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.152 -1.468 19395 998 1 2 . 1 1 92 92 PHE H H 92 7.472 7.472 8.238 -0.766 19395 999 1 2 . 1 1 93 93 CYS N N 93 117.138 117.138 117.946 -0.808 19395 1000 1 2 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.715 0.648 19395 1001 1 2 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.146 2.818 19395 1002 1 2 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.374 0.104 19395 1003 1 2 . 1 1 93 93 CYS H H 93 7.562 7.562 7.553 0.009 19395 1004 1 2 . 1 1 94 94 GLU N N 94 118.594 118.594 119.693 -1.099 19395 1005 1 2 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.304 -0.177 19395 1006 1 2 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.499 1.542 19395 1007 1 2 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.098 -0.024 19395 1008 1 2 . 1 1 94 94 GLU H H 94 8.236 8.236 8.402 -0.166 19395 1009 1 2 . 1 1 95 95 ALA N N 95 121.081 121.081 123.043 -1.962 19395 1010 1 2 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.750 0.127 19395 1011 1 2 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.207 0.162 19395 1012 1 2 . 1 1 95 95 ALA CB C 95 18.124 18.124 20.017 -1.893 19395 1013 1 2 . 1 1 95 95 ALA H H 95 7.898 7.898 7.518 0.380 19395 1014 1 2 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.396 0.427 19395 1015 1 2 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.421 0.546 19395 1016 1 2 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.530 1.026 19395 1017 1 2 . 1 1 97 97 GLY N N 97 113.478 113.478 113.312 0.166 19395 1018 1 2 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.881 -0.182 19395 1019 1 2 . 1 1 97 97 GLY H H 97 9.198 9.198 8.240 0.958 19395 1020 1 2 . 1 1 98 98 SER N N 98 115.643 115.643 114.802 0.841 19395 1021 1 2 . 1 1 98 98 SER HA H 98 4.560 4.560 4.329 0.232 19395 1022 1 2 . 1 1 98 98 SER CA C 98 58.923 58.923 59.941 -1.018 19395 1023 1 2 . 1 1 98 98 SER CB C 98 64.427 64.427 64.300 0.127 19395 1024 1 2 . 1 1 98 98 SER H H 98 8.066 8.066 7.960 0.106 19395 1025 1 2 . 1 1 99 99 CYS N N 99 115.484 115.484 116.057 -0.573 19395 1026 1 2 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.372 0.025 19395 1027 1 2 . 1 1 99 99 CYS CA C 99 55.787 55.787 56.809 -1.022 19395 1028 1 2 . 1 1 99 99 CYS CB C 99 29.985 29.985 32.040 -2.055 19395 1029 1 2 . 1 1 99 99 CYS H H 99 7.532 7.532 8.330 -0.798 19395 1030 1 2 . 1 1 100 100 VAL N N 100 128.065 128.065 117.130 10.935 19395 1031 1 2 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.377 -0.069 19395 1032 1 2 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.232 2.399 19395 1033 1 2 . 1 1 100 100 VAL CB C 100 34.384 34.384 34.315 0.069 19395 1034 1 2 . 1 1 100 100 VAL H H 100 8.392 8.392 8.591 -0.199 19395 1035 1 2 . 1 1 101 101 ALA N N 101 130.346 130.346 129.524 0.822 19395 1036 1 2 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.705 1.055 19395 1037 1 2 . 1 1 101 101 ALA CA C 101 50.101 50.101 50.577 -0.476 19395 1038 1 2 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.468 1.650 19395 1039 1 2 . 1 1 101 101 ALA H H 101 8.882 8.882 8.309 0.573 19395 1040 1 2 . 1 1 102 102 VAL N N 102 120.866 120.866 117.370 3.496 19395 1041 1 2 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.462 1.161 19395 1042 1 2 . 1 1 102 102 VAL CA C 102 58.795 58.795 60.211 -1.416 19395 1043 1 2 . 1 1 102 102 VAL CB C 102 35.140 35.140 36.168 -1.028 19395 1044 1 2 . 1 1 102 102 VAL H H 102 9.359 9.359 8.859 0.500 19395 1045 1 2 . 1 1 103 103 HIS N N 103 120.019 120.019 123.415 -3.396 19395 1046 1 2 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.617 0.166 19395 1047 1 2 . 1 1 103 103 HIS CA C 103 55.292 55.292 56.566 -1.274 19395 1048 1 2 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.667 2.365 19395 1049 1 2 . 1 1 103 103 HIS H H 103 8.749 8.749 8.466 0.283 19395 1050 1 2 . 1 1 104 104 CYS N N 104 118.175 118.175 123.412 -5.237 19395 1051 1 2 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.727 -0.030 19395 1052 1 2 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.816 -1.550 19395 1053 1 2 . 1 1 104 104 CYS CB C 104 33.179 33.179 31.224 1.955 19395 1054 1 2 . 1 1 104 104 CYS H H 104 8.428 8.428 7.693 0.735 19395 1055 1 2 . 1 1 105 105 VAL N N 105 125.962 125.962 124.611 1.351 19395 1056 1 2 . 1 1 105 105 VAL HA H 105 4.219 4.219 3.865 0.354 19395 1057 1 2 . 1 1 105 105 VAL CA C 105 66.483 66.483 63.786 2.697 19395 1058 1 2 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.142 0.241 19395 1059 1 2 . 1 1 105 105 VAL H H 105 8.422 8.422 8.490 -0.068 19395 1060 1 2 . 1 1 106 106 ALA N N 106 123.180 123.180 120.054 3.126 19395 1061 1 2 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.667 0.028 19395 1062 1 2 . 1 1 106 106 ALA CA C 106 52.862 52.862 52.714 0.148 19395 1063 1 2 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.863 0.260 19395 1064 1 2 . 1 1 106 106 ALA H H 106 9.997 9.997 8.280 1.717 19395 1065 1 2 . 1 1 107 107 GLY N N 107 109.076 109.076 106.778 2.298 19395 1066 1 2 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.698 1.921 19395 1067 1 2 . 1 1 107 107 GLY H H 107 8.019 8.019 7.840 0.179 19395 1068 1 2 . 1 1 108 108 LEU N N 108 117.413 117.413 123.082 -5.669 19395 1069 1 2 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.766 0.698 19395 1070 1 2 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.528 0.254 19395 1071 1 2 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.470 4.350 19395 1072 1 2 . 1 1 108 108 LEU H H 108 7.598 7.598 8.410 -0.812 19395 1073 1 2 . 1 1 109 109 GLY N N 109 111.143 111.143 107.239 3.904 19395 1074 1 2 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.772 -0.131 19395 1075 1 2 . 1 1 109 109 GLY H H 109 10.576 10.576 8.769 1.807 19395 1076 1 2 . 1 1 110 110 ARG N N 110 127.464 127.464 123.715 3.749 19395 1077 1 2 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.680 -0.125 19395 1078 1 2 . 1 1 110 110 ARG CA C 110 60.426 60.426 59.195 1.231 19395 1079 1 2 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.147 3.036 19395 1080 1 2 . 1 1 110 110 ARG H H 110 10.234 10.234 8.371 1.863 19395 1081 1 2 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.266 -0.382 19395 1082 1 2 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.502 1.030 19395 1083 1 2 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.558 -0.648 19395 1084 1 2 . 1 1 113 113 VAL N N 113 116.720 116.720 119.822 -3.102 19395 1085 1 2 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.659 -0.099 19395 1086 1 2 . 1 1 113 113 VAL CA C 113 66.730 66.730 67.393 -0.663 19395 1087 1 2 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.422 -0.898 19395 1088 1 2 . 1 1 113 113 VAL H H 113 8.340 8.340 8.592 -0.252 19395 1089 1 2 . 1 1 114 114 LEU N N 114 119.045 119.045 119.272 -0.227 19395 1090 1 2 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.194 -0.536 19395 1091 1 2 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.433 -0.403 19395 1092 1 2 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.065 -2.266 19395 1093 1 2 . 1 1 114 114 LEU H H 114 6.990 6.990 8.380 -1.390 19395 1094 1 2 . 1 1 115 115 VAL N N 115 120.270 120.270 114.982 5.288 19395 1095 1 2 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.362 -0.319 19395 1096 1 2 . 1 1 115 115 VAL CA C 115 67.509 67.509 65.882 1.627 19395 1097 1 2 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.119 -0.332 19395 1098 1 2 . 1 1 115 115 VAL H H 115 7.188 7.188 7.704 -0.516 19395 1099 1 2 . 1 1 116 116 ALA N N 116 121.280 121.280 123.375 -2.095 19395 1100 1 2 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.075 -0.314 19395 1101 1 2 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.145 0.712 19395 1102 1 2 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.527 -0.659 19395 1103 1 2 . 1 1 116 116 ALA H H 116 8.649 8.649 8.324 0.325 19395 1104 1 2 . 1 1 117 117 LEU N N 117 116.557 116.557 120.328 -3.771 19395 1105 1 2 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.967 -0.199 19395 1106 1 2 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.918 0.442 19395 1107 1 2 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.840 2.227 19395 1108 1 2 . 1 1 117 117 LEU H H 117 8.048 8.048 7.671 0.377 19395 1109 1 2 . 1 1 118 118 ALA N N 118 119.916 119.916 119.931 -0.015 19395 1110 1 2 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.654 0.415 19395 1111 1 2 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.403 0.961 19395 1112 1 2 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.435 1.192 19395 1113 1 2 . 1 1 118 118 ALA H H 118 7.691 7.691 6.749 0.942 19395 1114 1 2 . 1 1 119 119 LEU N N 119 116.962 116.962 120.671 -3.709 19395 1115 1 2 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.125 -0.250 19395 1116 1 2 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.738 0.687 19395 1117 1 2 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.557 -1.772 19395 1118 1 2 . 1 1 119 119 LEU H H 119 7.988 7.988 7.638 0.350 19395 1119 1 2 . 1 1 120 120 ILE N N 120 123.209 123.209 119.130 4.079 19395 1120 1 2 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.958 0.791 19395 1121 1 2 . 1 1 120 120 ILE CA C 120 64.104 64.104 64.570 -0.466 19395 1122 1 2 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.695 1.547 19395 1123 1 2 . 1 1 120 120 ILE H H 120 8.643 8.643 8.332 0.311 19395 1124 1 2 . 1 1 121 121 GLU N N 121 121.219 121.219 119.206 2.013 19395 1125 1 2 . 1 1 121 121 GLU HA H 121 4.508 4.508 4.075 0.433 19395 1126 1 2 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.187 -0.048 19395 1127 1 2 . 1 1 121 121 GLU CB C 121 29.233 29.233 29.180 0.053 19395 1128 1 2 . 1 1 121 121 GLU H H 121 8.680 8.680 7.805 0.875 19395 1129 1 2 . 1 1 122 122 SER N N 122 114.306 114.306 113.316 0.990 19395 1130 1 2 . 1 1 122 122 SER HA H 122 4.783 4.783 4.305 0.478 19395 1131 1 2 . 1 1 122 122 SER CA C 122 58.581 58.581 60.840 -2.259 19395 1132 1 2 . 1 1 122 122 SER CB C 122 64.656 64.656 63.774 0.882 19395 1133 1 2 . 1 1 122 122 SER H H 122 7.834 7.834 8.321 -0.487 19395 1134 1 2 . 1 1 123 123 GLY N N 123 108.666 108.666 106.072 2.594 19395 1135 1 2 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.539 0.541 19395 1136 1 2 . 1 1 123 123 GLY H H 123 7.902 7.902 7.711 0.191 19395 1137 1 2 . 1 1 124 124 MET N N 124 123.358 123.358 120.068 3.290 19395 1138 1 2 . 1 1 124 124 MET HA H 124 4.258 4.258 4.648 -0.390 19395 1139 1 2 . 1 1 124 124 MET CA C 124 56.698 56.698 53.497 3.201 19395 1140 1 2 . 1 1 124 124 MET CB C 124 34.104 34.104 35.531 -1.427 19395 1141 1 2 . 1 1 124 124 MET H H 124 7.970 7.970 7.608 0.362 19395 1142 1 2 . 1 1 125 125 LYS N N 125 125.848 125.848 123.478 2.370 19395 1143 1 2 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.332 -0.038 19395 1144 1 2 . 1 1 125 125 LYS CA C 125 56.909 56.909 55.610 1.299 19395 1145 1 2 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.401 0.336 19395 1146 1 2 . 1 1 125 125 LYS H H 125 8.903 8.903 8.524 0.379 19395 1147 1 2 . 1 1 126 126 TYR N N 126 124.016 124.016 126.674 -2.658 19395 1148 1 2 . 1 1 126 126 TYR HA H 126 4.060 4.060 4.036 0.024 19395 1149 1 2 . 1 1 126 126 TYR CA C 126 61.734 61.734 61.992 -0.258 19395 1150 1 2 . 1 1 126 126 TYR CB C 126 37.942 37.942 38.105 -0.163 19395 1151 1 2 . 1 1 126 126 TYR H H 126 9.242 9.242 8.916 0.326 19395 1152 1 2 . 1 1 127 127 GLU N N 127 119.702 119.702 117.988 1.714 19395 1153 1 2 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.326 0.067 19395 1154 1 2 . 1 1 127 127 GLU CA C 127 60.215 60.215 60.004 0.211 19395 1155 1 2 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.589 0.396 19395 1156 1 2 . 1 1 127 127 GLU H H 127 9.102 9.102 8.637 0.465 19395 1157 1 2 . 1 1 128 128 ASP N N 128 118.661 118.661 120.106 -1.445 19395 1158 1 2 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.303 0.107 19395 1159 1 2 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.208 -0.634 19395 1160 1 2 . 1 1 128 128 ASP CB C 128 40.106 40.106 39.965 0.141 19395 1161 1 2 . 1 1 128 128 ASP H H 128 6.782 6.782 8.262 -1.480 19395 1162 1 2 . 1 1 129 129 ALA N N 129 125.068 125.068 122.065 3.003 19395 1163 1 2 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.033 0.194 19395 1164 1 2 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.136 0.276 19395 1165 1 2 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.514 -0.202 19395 1166 1 2 . 1 1 129 129 ALA H H 129 8.365 8.365 8.206 0.159 19395 1167 1 2 . 1 1 130 130 ILE N N 130 115.533 115.533 119.321 -3.788 19395 1168 1 2 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.637 -0.146 19395 1169 1 2 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.636 1.480 19395 1170 1 2 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.686 0.100 19395 1171 1 2 . 1 1 130 130 ILE H H 130 8.044 8.044 7.995 0.049 19395 1172 1 2 . 1 1 131 131 GLN N N 131 118.503 118.503 118.662 -0.159 19395 1173 1 2 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.921 0.095 19395 1174 1 2 . 1 1 131 131 GLN CA C 131 58.791 58.791 59.154 -0.363 19395 1175 1 2 . 1 1 131 131 GLN CB C 131 28.439 28.439 28.517 -0.078 19395 1176 1 2 . 1 1 131 131 GLN H H 131 7.426 7.426 8.359 -0.933 19395 1177 1 2 . 1 1 132 132 PHE N N 132 120.679 120.679 121.038 -0.359 19395 1178 1 2 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.183 0.140 19395 1179 1 2 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.606 -0.431 19395 1180 1 2 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.043 0.807 19395 1181 1 2 . 1 1 132 132 PHE H H 132 8.416 8.416 7.817 0.599 19395 1182 1 2 . 1 1 133 133 ILE N N 133 116.466 116.466 115.926 0.540 19395 1183 1 2 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.571 -0.082 19395 1184 1 2 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.173 -0.176 19395 1185 1 2 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.780 -0.219 19395 1186 1 2 . 1 1 133 133 ILE H H 133 7.964 7.964 7.885 0.079 19395 1187 1 2 . 1 1 134 134 ARG N N 134 119.204 119.204 121.428 -2.224 19395 1188 1 2 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.340 -0.018 19395 1189 1 2 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.781 0.380 19395 1190 1 2 . 1 1 134 134 ARG CB C 134 30.212 30.212 31.187 -0.975 19395 1191 1 2 . 1 1 134 134 ARG H H 134 8.449 8.449 8.368 0.081 19395 1192 1 2 . 1 1 135 135 GLN N N 135 117.511 117.511 118.846 -1.335 19395 1193 1 2 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.107 -0.070 19395 1194 1 2 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.228 0.109 19395 1195 1 2 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.571 -0.132 19395 1196 1 2 . 1 1 135 135 GLN H H 135 7.829 7.829 8.342 -0.513 19395 1197 1 2 . 1 1 136 136 LYS N N 136 116.364 116.364 116.184 0.180 19395 1198 1 2 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.232 0.062 19395 1199 1 2 . 1 1 136 136 LYS CA C 136 56.209 56.209 56.222 -0.013 19395 1200 1 2 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.580 0.400 19395 1201 1 2 . 1 1 136 136 LYS H H 136 7.280 7.280 7.632 -0.352 19395 1202 1 2 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.646 -0.801 19395 1203 1 2 . 1 1 140 140 ALA N N 140 121.841 121.841 122.728 -0.887 19395 1204 1 2 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.135 0.221 19395 1205 1 2 . 1 1 140 140 ALA CA C 140 53.327 53.327 54.235 -0.908 19395 1206 1 2 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.622 -0.048 19395 1207 1 2 . 1 1 140 140 ALA H H 140 7.553 7.553 7.678 -0.125 19395 1208 1 2 . 1 1 141 141 ILE N N 141 113.228 113.228 116.605 -3.377 19395 1209 1 2 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.029 -0.691 19395 1210 1 2 . 1 1 141 141 ILE CA C 141 65.889 65.889 62.426 3.462 19395 1211 1 2 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.705 -4.517 19395 1212 1 2 . 1 1 141 141 ILE H H 141 8.744 8.744 8.106 0.638 19395 1213 1 2 . 1 1 142 142 ASN N N 142 126.808 126.808 118.121 8.687 19395 1214 1 2 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.479 0.244 19395 1215 1 2 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.203 -3.120 19395 1216 1 2 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.583 -0.653 19395 1217 1 2 . 1 1 142 142 ASN H H 142 8.538 8.538 8.429 0.109 19395 1218 1 2 . 1 1 144 144 LYS HA H 144 4.167 4.167 4.041 0.126 19395 1219 1 2 . 1 1 145 145 GLN N N 145 120.931 120.931 118.754 2.177 19395 1220 1 2 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.193 -0.458 19395 1221 1 2 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.977 -0.142 19395 1222 1 2 . 1 1 145 145 GLN CB C 145 27.803 27.803 28.354 -0.551 19395 1223 1 2 . 1 1 145 145 GLN H H 145 8.737 8.737 8.030 0.707 19395 1224 1 2 . 1 1 146 146 LEU N N 146 122.433 122.433 119.173 3.260 19395 1225 1 2 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.192 -0.217 19395 1226 1 2 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.379 0.634 19395 1227 1 2 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.907 -0.111 19395 1228 1 2 . 1 1 146 146 LEU H H 146 8.917 8.917 7.632 1.285 19395 1229 1 2 . 1 1 147 147 THR N N 147 115.378 115.378 112.498 2.880 19395 1230 1 2 . 1 1 147 147 THR HA H 147 3.936 3.936 3.935 0.001 19395 1231 1 2 . 1 1 147 147 THR CA C 147 66.512 66.512 65.611 0.901 19395 1232 1 2 . 1 1 147 147 THR CB C 147 68.865 68.865 68.456 0.409 19395 1233 1 2 . 1 1 147 147 THR H H 147 7.948 7.948 7.683 0.265 19395 1234 1 2 . 1 1 148 148 TYR N N 148 120.402 120.402 123.563 -3.161 19395 1235 1 2 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.180 -0.098 19395 1236 1 2 . 1 1 148 148 TYR CA C 148 61.195 61.195 60.967 0.229 19395 1237 1 2 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.138 -0.161 19395 1238 1 2 . 1 1 148 148 TYR H H 148 7.366 7.366 8.168 -0.802 19395 1239 1 2 . 1 1 149 149 LEU N N 149 119.957 119.957 118.809 1.148 19395 1240 1 2 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.399 0.329 19395 1241 1 2 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.363 1.178 19395 1242 1 2 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.277 2.286 19395 1243 1 2 . 1 1 149 149 LEU H H 149 7.968 7.968 7.581 0.387 19395 1244 1 2 . 1 1 150 150 GLU N N 150 120.132 120.132 117.327 2.805 19395 1245 1 2 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.625 -1.242 19395 1246 1 2 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.525 -0.063 19395 1247 1 2 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.651 -0.070 19395 1248 1 2 . 1 1 150 150 GLU H H 150 8.305 8.305 7.104 1.201 19395 1249 1 2 . 1 1 151 151 LYS N N 151 114.600 114.600 117.238 -2.638 19395 1250 1 2 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.175 -0.104 19395 1251 1 2 . 1 1 151 151 LYS CA C 151 55.632 55.632 55.855 -0.223 19395 1252 1 2 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.073 -0.126 19395 1253 1 2 . 1 1 151 151 LYS H H 151 7.106 7.106 7.449 -0.343 19395 1254 1 2 . 1 1 152 152 TYR N N 152 123.664 123.664 122.495 1.169 19395 1255 1 2 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.253 -0.478 19395 1256 1 2 . 1 1 152 152 TYR CA C 152 59.659 59.659 58.323 1.336 19395 1257 1 2 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.841 -0.596 19395 1258 1 2 . 1 1 152 152 TYR H H 152 7.187 7.187 7.769 -0.582 19395 1259 1 2 . 1 1 153 153 ARG N N 153 130.321 130.321 124.349 5.972 19395 1260 1 2 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.487 0.278 19395 1261 1 2 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.926 -0.413 19395 1262 1 2 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.383 -1.203 19395 1263 1 2 . 1 1 153 153 ARG H H 153 7.760 7.760 7.745 0.015 19395 1264 1 2 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.472 0.168 19395 1265 1 2 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.415 -0.360 19395 1266 1 2 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.428 1.175 19395 1267 1 2 . 1 1 155 155 LYS N N 155 122.066 122.066 123.897 -1.831 19395 1268 1 2 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.016 0.422 19395 1269 1 2 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.586 -0.663 19395 1270 1 2 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.325 1.118 19395 1271 1 2 . 1 1 155 155 LYS H H 155 9.586 9.586 8.496 1.090 19395 1272 1 2 . 1 1 156 156 GLN N N 156 117.702 117.702 116.205 1.497 19395 1273 1 2 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.004 0.362 19395 1274 1 2 . 1 1 156 156 GLN CA C 156 56.549 56.549 56.561 -0.012 19395 1275 1 2 . 1 1 156 156 GLN CB C 156 26.728 26.728 27.480 -0.752 19395 1276 1 2 . 1 1 156 156 GLN H H 156 8.334 8.334 8.192 0.142 19395 1277 1 2 . 1 1 157 157 ARG N N 157 117.466 117.466 118.729 -1.263 19395 1278 1 2 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.109 0.046 19395 1279 1 2 . 1 1 157 157 ARG CA C 157 58.022 58.022 59.586 -1.564 19395 1280 1 2 . 1 1 157 157 ARG CB C 157 30.769 30.769 30.548 0.221 19395 1281 1 2 . 1 1 157 157 ARG H H 157 8.983 8.983 7.887 1.096 19395 1282 1 2 . 1 1 158 158 LEU N N 158 117.973 117.973 117.177 0.796 19395 1283 1 2 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.372 0.257 19395 1284 1 2 . 1 1 158 158 LEU CA C 158 53.469 53.469 55.104 -1.635 19395 1285 1 2 . 1 1 158 158 LEU CB C 158 41.505 41.505 41.903 -0.398 19395 1286 1 2 . 1 1 158 158 LEU H H 158 8.123 8.123 7.973 0.150 19395 1287 1 2 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.386 -0.273 19395 1288 1 2 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.813 1.674 19395 1289 1 2 . 1 1 161 161 LYS CB C 161 33.174 33.174 33.951 -0.777 19395 1290 1 2 . 1 1 161 161 LYS H H 161 7.856 7.856 7.668 0.188 19395 1291 1 3 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.441 -0.094 19395 1292 1 3 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.760 -0.222 19395 1293 1 3 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.566 -0.774 19395 1294 1 3 . 1 1 8 8 ALA N N 8 126.708 126.708 127.353 -0.645 19395 1295 1 3 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.837 -0.226 19395 1296 1 3 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.521 0.787 19395 1297 1 3 . 1 1 8 8 ALA CB C 8 18.205 18.205 18.934 -0.729 19395 1298 1 3 . 1 1 8 8 ALA H H 8 8.399 8.399 8.274 0.125 19395 1299 1 3 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.379 0.272 19395 1300 1 3 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.233 0.350 19395 1301 1 3 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.645 -0.134 19395 1302 1 3 . 1 1 10 10 VAL N N 10 118.581 118.581 119.435 -0.854 19395 1303 1 3 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.300 0.001 19395 1304 1 3 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.406 -0.573 19395 1305 1 3 . 1 1 10 10 VAL CB C 10 34.677 34.677 35.078 -0.401 19395 1306 1 3 . 1 1 10 10 VAL H H 10 8.025 8.025 8.010 0.015 19395 1307 1 3 . 1 1 11 11 GLU N N 11 129.673 129.673 128.839 0.834 19395 1308 1 3 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.134 -0.049 19395 1309 1 3 . 1 1 11 11 GLU CA C 11 54.747 54.747 54.663 0.083 19395 1310 1 3 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.648 0.482 19395 1311 1 3 . 1 1 11 11 GLU H H 11 8.723 8.723 8.738 -0.015 19395 1312 1 3 . 1 1 12 12 VAL N N 12 127.093 127.093 127.375 -0.282 19395 1313 1 3 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.514 -0.231 19395 1314 1 3 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.350 1.246 19395 1315 1 3 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.390 1.156 19395 1316 1 3 . 1 1 12 12 VAL H H 12 9.247 9.247 8.944 0.303 19395 1317 1 3 . 1 1 13 13 SER N N 13 123.385 123.385 124.893 -1.508 19395 1318 1 3 . 1 1 13 13 SER HA H 13 5.302 5.302 4.986 0.316 19395 1319 1 3 . 1 1 13 13 SER CA C 13 56.409 56.409 58.007 -1.598 19395 1320 1 3 . 1 1 13 13 SER CB C 13 64.981 64.981 64.032 0.949 19395 1321 1 3 . 1 1 13 13 SER H H 13 9.001 9.001 8.496 0.505 19395 1322 1 3 . 1 1 14 14 TYR N N 14 124.413 124.413 128.464 -4.051 19395 1323 1 3 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.736 -0.199 19395 1324 1 3 . 1 1 14 14 TYR CA C 14 58.233 58.233 56.906 1.327 19395 1325 1 3 . 1 1 14 14 TYR CB C 14 41.579 41.579 40.295 1.284 19395 1326 1 3 . 1 1 14 14 TYR H H 14 8.347 8.347 8.954 -0.607 19395 1327 1 3 . 1 1 15 15 LYS N N 15 125.130 125.130 119.613 5.517 19395 1328 1 3 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.968 -0.569 19395 1329 1 3 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.429 -0.056 19395 1330 1 3 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.315 -2.421 19395 1331 1 3 . 1 1 15 15 LYS H H 15 8.820 8.820 8.048 0.772 19395 1332 1 3 . 1 1 16 16 HIS N N 16 121.278 121.278 117.914 3.364 19395 1333 1 3 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.699 -0.249 19395 1334 1 3 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.264 1.474 19395 1335 1 3 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.820 0.409 19395 1336 1 3 . 1 1 16 16 HIS H H 16 8.784 8.784 8.129 0.655 19395 1337 1 3 . 1 1 17 17 MET N N 17 120.113 120.113 114.862 5.251 19395 1338 1 3 . 1 1 17 17 MET HA H 17 2.326 2.326 4.812 -2.486 19395 1339 1 3 . 1 1 17 17 MET CA C 17 54.714 54.714 55.211 -0.497 19395 1340 1 3 . 1 1 17 17 MET CB C 17 34.848 34.848 35.426 -0.578 19395 1341 1 3 . 1 1 17 17 MET H H 17 8.106 8.106 7.454 0.652 19395 1342 1 3 . 1 1 18 18 ARG N N 18 121.252 121.252 120.017 1.235 19395 1343 1 3 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.343 -0.504 19395 1344 1 3 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.379 0.415 19395 1345 1 3 . 1 1 18 18 ARG CB C 18 33.816 33.816 34.099 -0.283 19395 1346 1 3 . 1 1 18 18 ARG H H 18 5.904 5.904 8.577 -2.673 19395 1347 1 3 . 1 1 19 19 PHE N N 19 121.195 121.195 121.783 -0.588 19395 1348 1 3 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.161 0.839 19395 1349 1 3 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.989 -0.371 19395 1350 1 3 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.823 -0.207 19395 1351 1 3 . 1 1 19 19 PHE H H 19 9.178 9.178 9.148 0.030 19395 1352 1 3 . 1 1 20 20 LEU N N 20 123.804 123.804 122.592 1.212 19395 1353 1 3 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.244 -0.134 19395 1354 1 3 . 1 1 20 20 LEU CA C 20 52.568 52.568 53.843 -1.275 19395 1355 1 3 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.799 2.084 19395 1356 1 3 . 1 1 20 20 LEU H H 20 8.601 8.601 9.244 -0.643 19395 1357 1 3 . 1 1 21 21 ILE N N 21 126.661 126.661 122.675 3.986 19395 1358 1 3 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.184 -0.053 19395 1359 1 3 . 1 1 21 21 ILE CA C 21 60.828 60.828 59.517 1.311 19395 1360 1 3 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.220 0.989 19395 1361 1 3 . 1 1 21 21 ILE H H 21 9.323 9.323 9.119 0.204 19395 1362 1 3 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.554 -0.225 19395 1363 1 3 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.073 -1.255 19395 1364 1 3 . 1 1 25 25 PRO CB C 25 32.524 32.524 30.001 2.523 19395 1365 1 3 . 1 1 26 26 THR N N 26 131.812 131.812 114.529 17.283 19395 1366 1 3 . 1 1 26 26 THR H H 26 6.781 6.781 8.406 -1.625 19395 1367 1 3 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.203 0.141 19395 1368 1 3 . 1 1 28 28 ALA CA C 28 54.021 54.021 54.283 -0.262 19395 1369 1 3 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.586 -0.403 19395 1370 1 3 . 1 1 29 29 THR N N 29 104.375 104.375 110.544 -6.169 19395 1371 1 3 . 1 1 29 29 THR HA H 29 4.847 4.847 4.373 0.474 19395 1372 1 3 . 1 1 29 29 THR CA C 29 60.370 60.370 61.241 -0.871 19395 1373 1 3 . 1 1 29 29 THR CB C 29 69.135 69.135 69.372 -0.237 19395 1374 1 3 . 1 1 29 29 THR H H 29 7.642 7.642 7.733 -0.091 19395 1375 1 3 . 1 1 30 30 LEU N N 30 124.383 124.383 120.946 3.437 19395 1376 1 3 . 1 1 30 30 LEU HA H 30 4.013 4.013 3.938 0.075 19395 1377 1 3 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.819 -0.108 19395 1378 1 3 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.938 1.416 19395 1379 1 3 . 1 1 30 30 LEU H H 30 7.356 7.356 8.146 -0.790 19395 1380 1 3 . 1 1 31 31 SER N N 31 111.792 111.792 115.280 -3.488 19395 1381 1 3 . 1 1 31 31 SER H H 31 6.915 6.915 8.420 -1.505 19395 1382 1 3 . 1 1 32 32 THR N N 32 116.374 116.374 115.531 0.843 19395 1383 1 3 . 1 1 32 32 THR HA H 32 4.109 4.109 4.067 0.042 19395 1384 1 3 . 1 1 32 32 THR CA C 32 65.142 65.142 66.102 -0.960 19395 1385 1 3 . 1 1 32 32 THR CB C 32 68.628 68.628 68.824 -0.196 19395 1386 1 3 . 1 1 32 32 THR H H 32 7.589 7.589 8.665 -1.076 19395 1387 1 3 . 1 1 33 33 PHE N N 33 124.790 124.790 123.058 1.732 19395 1388 1 3 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.245 0.230 19395 1389 1 3 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.193 0.857 19395 1390 1 3 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.708 1.131 19395 1391 1 3 . 1 1 33 33 PHE H H 33 7.644 7.644 7.778 -0.134 19395 1392 1 3 . 1 1 34 34 ILE N N 34 117.776 117.776 118.643 -0.867 19395 1393 1 3 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.061 0.286 19395 1394 1 3 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.338 1.684 19395 1395 1 3 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.486 -5.840 19395 1396 1 3 . 1 1 34 34 ILE H H 34 8.535 8.535 8.682 -0.147 19395 1397 1 3 . 1 1 35 35 GLU N N 35 119.202 119.202 118.812 0.390 19395 1398 1 3 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.902 0.025 19395 1399 1 3 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.637 0.109 19395 1400 1 3 . 1 1 35 35 GLU CB C 35 29.375 29.375 28.974 0.401 19395 1401 1 3 . 1 1 35 35 GLU H H 35 7.512 7.512 7.577 -0.065 19395 1402 1 3 . 1 1 36 36 ASP N N 36 121.117 121.117 120.481 0.636 19395 1403 1 3 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.502 0.052 19395 1404 1 3 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.302 0.636 19395 1405 1 3 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.794 -0.675 19395 1406 1 3 . 1 1 36 36 ASP H H 36 8.049 8.049 7.851 0.198 19395 1407 1 3 . 1 1 37 37 LEU N N 37 119.257 119.257 116.361 2.896 19395 1408 1 3 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.235 -0.482 19395 1409 1 3 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.678 0.825 19395 1410 1 3 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.122 -1.162 19395 1411 1 3 . 1 1 37 37 LEU H H 37 8.016 8.016 7.487 0.529 19395 1412 1 3 . 1 1 38 38 LYS N N 38 117.743 117.743 119.717 -1.974 19395 1413 1 3 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.130 -0.032 19395 1414 1 3 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.305 -0.001 19395 1415 1 3 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.819 -0.550 19395 1416 1 3 . 1 1 38 38 LYS H H 38 8.336 8.336 7.947 0.389 19395 1417 1 3 . 1 1 39 39 LYS N N 39 122.164 122.164 117.947 4.217 19395 1418 1 3 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.112 0.044 19395 1419 1 3 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.784 0.649 19395 1420 1 3 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.144 0.267 19395 1421 1 3 . 1 1 39 39 LYS H H 39 8.113 8.113 8.180 -0.067 19395 1422 1 3 . 1 1 40 40 TYR N N 40 114.347 114.347 119.093 -4.746 19395 1423 1 3 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.344 0.051 19395 1424 1 3 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.753 -0.103 19395 1425 1 3 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.246 1.450 19395 1426 1 3 . 1 1 40 40 TYR H H 40 7.626 7.626 7.963 -0.337 19395 1427 1 3 . 1 1 41 41 GLY N N 41 109.921 109.921 104.807 5.114 19395 1428 1 3 . 1 1 41 41 GLY CA C 41 46.766 46.766 45.100 1.666 19395 1429 1 3 . 1 1 41 41 GLY H H 41 7.878 7.878 7.285 0.593 19395 1430 1 3 . 1 1 42 42 ALA N N 42 123.757 123.757 122.850 0.907 19395 1431 1 3 . 1 1 42 42 ALA HA H 42 5.158 5.158 4.986 0.172 19395 1432 1 3 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.893 0.245 19395 1433 1 3 . 1 1 42 42 ALA CB C 42 19.909 19.909 20.745 -0.836 19395 1434 1 3 . 1 1 42 42 ALA H H 42 8.544 8.544 8.206 0.338 19395 1435 1 3 . 1 1 43 43 THR N N 43 109.574 109.574 115.049 -5.475 19395 1436 1 3 . 1 1 43 43 THR HA H 43 4.479 4.479 4.523 -0.044 19395 1437 1 3 . 1 1 43 43 THR CA C 43 61.144 61.144 61.241 -0.097 19395 1438 1 3 . 1 1 43 43 THR CB C 43 69.180 69.180 68.237 0.943 19395 1439 1 3 . 1 1 43 43 THR H H 43 7.969 7.969 8.343 -0.374 19395 1440 1 3 . 1 1 44 44 THR N N 44 118.101 118.101 116.995 1.106 19395 1441 1 3 . 1 1 44 44 THR HA H 44 5.226 5.226 4.905 0.321 19395 1442 1 3 . 1 1 44 44 THR CA C 44 62.061 62.061 61.334 0.727 19395 1443 1 3 . 1 1 44 44 THR CB C 44 72.595 72.595 72.000 0.595 19395 1444 1 3 . 1 1 44 44 THR H H 44 7.458 7.458 7.179 0.279 19395 1445 1 3 . 1 1 45 45 VAL N N 45 127.571 127.571 124.505 3.066 19395 1446 1 3 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.487 0.215 19395 1447 1 3 . 1 1 45 45 VAL CA C 45 60.504 60.504 59.857 0.647 19395 1448 1 3 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.646 2.536 19395 1449 1 3 . 1 1 45 45 VAL H H 45 9.398 9.398 9.102 0.296 19395 1450 1 3 . 1 1 46 46 VAL N N 46 129.011 129.011 122.129 6.882 19395 1451 1 3 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.339 -0.009 19395 1452 1 3 . 1 1 46 46 VAL CA C 46 61.517 61.517 61.632 -0.115 19395 1453 1 3 . 1 1 46 46 VAL CB C 46 32.232 32.232 30.067 2.165 19395 1454 1 3 . 1 1 46 46 VAL H H 46 9.342 9.342 8.908 0.434 19395 1455 1 3 . 1 1 47 47 ARG N N 47 129.852 129.852 118.595 11.257 19395 1456 1 3 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.064 0.231 19395 1457 1 3 . 1 1 47 47 ARG CA C 47 56.019 56.019 57.139 -1.120 19395 1458 1 3 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.108 0.709 19395 1459 1 3 . 1 1 47 47 ARG H H 47 9.037 9.037 7.860 1.177 19395 1460 1 3 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.720 -0.785 19395 1461 1 3 . 1 1 49 49 CYS CA C 49 55.688 55.688 56.820 -1.132 19395 1462 1 3 . 1 1 49 49 CYS CB C 49 41.121 41.121 29.108 12.013 19395 1463 1 3 . 1 1 50 50 GLU N N 50 114.931 114.931 121.515 -6.584 19395 1464 1 3 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.270 -0.184 19395 1465 1 3 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.270 0.030 19395 1466 1 3 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.699 1.746 19395 1467 1 3 . 1 1 50 50 GLU H H 50 8.669 8.669 8.494 0.175 19395 1468 1 3 . 1 1 51 51 VAL N N 51 122.453 122.453 117.547 4.906 19395 1469 1 3 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.040 -0.619 19395 1470 1 3 . 1 1 51 51 VAL CA C 51 64.120 64.120 62.809 1.311 19395 1471 1 3 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.236 -0.206 19395 1472 1 3 . 1 1 51 51 VAL H H 51 8.356 8.356 7.677 0.679 19395 1473 1 3 . 1 1 52 52 THR N N 52 118.382 118.382 114.177 4.205 19395 1474 1 3 . 1 1 52 52 THR HA H 52 4.525 4.525 4.418 0.107 19395 1475 1 3 . 1 1 52 52 THR CA C 52 61.197 61.197 61.335 -0.138 19395 1476 1 3 . 1 1 52 52 THR CB C 52 69.429 69.429 68.904 0.525 19395 1477 1 3 . 1 1 52 52 THR H H 52 8.936 8.936 8.001 0.935 19395 1478 1 3 . 1 1 53 53 TYR N N 53 116.747 116.747 118.366 -1.619 19395 1479 1 3 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.796 -0.034 19395 1480 1 3 . 1 1 53 53 TYR CA C 53 55.653 55.653 56.616 -0.963 19395 1481 1 3 . 1 1 53 53 TYR CB C 53 39.833 39.833 39.802 0.031 19395 1482 1 3 . 1 1 53 53 TYR H H 53 7.040 7.040 7.298 -0.258 19395 1483 1 3 . 1 1 54 54 ASP N N 54 123.720 123.720 123.375 0.345 19395 1484 1 3 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.571 -0.063 19395 1485 1 3 . 1 1 54 54 ASP CA C 54 53.571 53.571 53.786 -0.215 19395 1486 1 3 . 1 1 54 54 ASP CB C 54 41.364 41.364 42.071 -0.707 19395 1487 1 3 . 1 1 54 54 ASP H H 54 9.280 9.280 8.513 0.767 19395 1488 1 3 . 1 1 55 55 LYS N N 55 121.455 121.455 122.940 -1.485 19395 1489 1 3 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.509 0.010 19395 1490 1 3 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.556 0.388 19395 1491 1 3 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.859 1.081 19395 1492 1 3 . 1 1 55 55 LYS H H 55 8.497 8.497 8.380 0.117 19395 1493 1 3 . 1 1 56 56 THR N N 56 120.743 120.743 119.285 1.458 19395 1494 1 3 . 1 1 56 56 THR HA H 56 4.120 4.120 4.519 -0.399 19395 1495 1 3 . 1 1 56 56 THR CA C 56 68.652 68.652 63.503 5.149 19395 1496 1 3 . 1 1 56 56 THR CB C 56 66.508 66.508 67.839 -1.331 19395 1497 1 3 . 1 1 56 56 THR H H 56 8.701 8.701 8.609 0.092 19395 1498 1 3 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.514 -0.223 19395 1499 1 3 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.235 0.598 19395 1500 1 3 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.223 0.167 19395 1501 1 3 . 1 1 58 58 LEU N N 58 116.313 116.313 117.092 -0.779 19395 1502 1 3 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.208 -0.154 19395 1503 1 3 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.379 1.763 19395 1504 1 3 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.186 0.168 19395 1505 1 3 . 1 1 58 58 LEU H H 58 7.170 7.170 8.142 -0.972 19395 1506 1 3 . 1 1 59 59 GLU N N 59 120.470 120.470 120.750 -0.280 19395 1507 1 3 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.093 0.298 19395 1508 1 3 . 1 1 59 59 GLU CA C 59 59.104 59.104 58.946 0.158 19395 1509 1 3 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.215 0.111 19395 1510 1 3 . 1 1 59 59 GLU H H 59 7.794 7.794 8.788 -0.994 19395 1511 1 3 . 1 1 60 60 LYS N N 60 119.911 119.911 119.039 0.872 19395 1512 1 3 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.247 -0.139 19395 1513 1 3 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.366 1.189 19395 1514 1 3 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.075 -0.012 19395 1515 1 3 . 1 1 60 60 LYS H H 60 8.246 8.246 7.893 0.353 19395 1516 1 3 . 1 1 61 61 ASP N N 61 119.142 119.142 117.551 1.591 19395 1517 1 3 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.699 0.271 19395 1518 1 3 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.220 -0.441 19395 1519 1 3 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.795 1.092 19395 1520 1 3 . 1 1 61 61 ASP H H 61 7.235 7.235 7.584 -0.349 19395 1521 1 3 . 1 1 62 62 GLY N N 62 105.820 105.820 107.764 -1.944 19395 1522 1 3 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.914 0.128 19395 1523 1 3 . 1 1 62 62 GLY H H 62 7.742 7.742 7.539 0.203 19395 1524 1 3 . 1 1 63 63 ILE N N 63 123.074 123.074 119.452 3.622 19395 1525 1 3 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.058 0.280 19395 1526 1 3 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.447 -0.917 19395 1527 1 3 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.281 -0.763 19395 1528 1 3 . 1 1 63 63 ILE H H 63 7.870 7.870 7.791 0.079 19395 1529 1 3 . 1 1 64 64 THR N N 64 123.510 123.510 123.013 0.497 19395 1530 1 3 . 1 1 64 64 THR HA H 64 4.316 4.316 4.320 -0.004 19395 1531 1 3 . 1 1 64 64 THR CA C 64 63.015 63.015 62.595 0.420 19395 1532 1 3 . 1 1 64 64 THR CB C 64 70.376 70.376 68.961 1.415 19395 1533 1 3 . 1 1 64 64 THR H H 64 8.200 8.200 8.720 -0.520 19395 1534 1 3 . 1 1 65 65 VAL N N 65 128.299 128.299 128.063 0.236 19395 1535 1 3 . 1 1 65 65 VAL HA H 65 5.048 5.048 3.935 1.113 19395 1536 1 3 . 1 1 65 65 VAL CA C 65 61.047 61.047 63.098 -2.051 19395 1537 1 3 . 1 1 65 65 VAL CB C 65 33.117 33.117 31.457 1.660 19395 1538 1 3 . 1 1 65 65 VAL H H 65 8.919 8.919 8.683 0.236 19395 1539 1 3 . 1 1 66 66 VAL N N 66 129.962 129.962 128.501 1.461 19395 1540 1 3 . 1 1 66 66 VAL HA H 66 3.927 3.927 4.041 -0.114 19395 1541 1 3 . 1 1 66 66 VAL CA C 66 60.683 60.683 60.418 0.265 19395 1542 1 3 . 1 1 66 66 VAL CB C 66 33.620 33.620 30.498 3.122 19395 1543 1 3 . 1 1 66 66 VAL H H 66 9.145 9.145 8.169 0.976 19395 1544 1 3 . 1 1 67 67 ASP N N 67 126.437 126.437 123.371 3.066 19395 1545 1 3 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.751 0.568 19395 1546 1 3 . 1 1 67 67 ASP CA C 67 54.170 54.170 52.088 2.082 19395 1547 1 3 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.237 1.834 19395 1548 1 3 . 1 1 67 67 ASP H H 67 8.099 8.099 7.234 0.865 19395 1549 1 3 . 1 1 68 68 TRP N N 68 125.863 125.863 121.294 4.569 19395 1550 1 3 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.803 0.737 19395 1551 1 3 . 1 1 68 68 TRP CA C 68 51.631 51.631 54.257 -2.626 19395 1552 1 3 . 1 1 68 68 TRP CB C 68 30.303 30.303 32.200 -1.897 19395 1553 1 3 . 1 1 68 68 TRP H H 68 8.305 8.305 7.674 0.631 19395 1554 1 3 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.451 -0.466 19395 1555 1 3 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.050 -0.107 19395 1556 1 3 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.028 1.516 19395 1557 1 3 . 1 1 70 70 PHE N N 70 113.153 113.153 119.001 -5.848 19395 1558 1 3 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.500 0.260 19395 1559 1 3 . 1 1 70 70 PHE CA C 70 56.067 56.067 58.177 -2.110 19395 1560 1 3 . 1 1 70 70 PHE CB C 70 39.334 39.334 39.665 -0.331 19395 1561 1 3 . 1 1 70 70 PHE H H 70 7.237 7.237 8.411 -1.174 19395 1562 1 3 . 1 1 71 71 ASP N N 71 120.632 120.632 121.117 -0.485 19395 1563 1 3 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.689 -0.407 19395 1564 1 3 . 1 1 71 71 ASP CA C 71 55.907 55.907 53.648 2.259 19395 1565 1 3 . 1 1 71 71 ASP CB C 71 41.099 41.099 39.741 1.358 19395 1566 1 3 . 1 1 71 71 ASP H H 71 8.514 8.514 7.898 0.616 19395 1567 1 3 . 1 1 73 73 GLY H H 73 8.510 8.510 7.843 0.667 19395 1568 1 3 . 1 1 74 74 ALA N N 74 123.138 123.138 122.437 0.701 19395 1569 1 3 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.159 0.681 19395 1570 1 3 . 1 1 74 74 ALA CA C 74 50.106 50.106 51.872 -1.766 19395 1571 1 3 . 1 1 74 74 ALA CB C 74 20.264 20.264 18.052 2.212 19395 1572 1 3 . 1 1 74 74 ALA H H 74 7.833 7.833 8.020 -0.187 19395 1573 1 3 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.195 0.261 19395 1574 1 3 . 1 1 79 79 LYS N N 79 119.944 119.944 119.889 0.055 19395 1575 1 3 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.501 -0.561 19395 1576 1 3 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.114 1.710 19395 1577 1 3 . 1 1 79 79 LYS CB C 79 32.310 32.310 32.557 -0.247 19395 1578 1 3 . 1 1 79 79 LYS H H 79 8.425 8.425 8.115 0.310 19395 1579 1 3 . 1 1 80 80 VAL N N 80 116.231 116.231 119.085 -2.854 19395 1580 1 3 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.603 -0.208 19395 1581 1 3 . 1 1 80 80 VAL CA C 80 64.913 64.913 63.905 1.008 19395 1582 1 3 . 1 1 80 80 VAL CB C 80 31.293 31.293 30.562 0.730 19395 1583 1 3 . 1 1 80 80 VAL H H 80 6.338 6.338 8.059 -1.721 19395 1584 1 3 . 1 1 81 81 VAL N N 81 118.082 118.082 116.737 1.345 19395 1585 1 3 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.653 -0.468 19395 1586 1 3 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.011 2.613 19395 1587 1 3 . 1 1 81 81 VAL CB C 81 31.645 31.645 30.957 0.688 19395 1588 1 3 . 1 1 81 81 VAL H H 81 7.362 7.362 7.359 0.003 19395 1589 1 3 . 1 1 82 82 GLU N N 82 117.196 117.196 119.533 -2.337 19395 1590 1 3 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.906 0.030 19395 1591 1 3 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.562 -0.068 19395 1592 1 3 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.198 0.253 19395 1593 1 3 . 1 1 82 82 GLU H H 82 7.878 7.878 7.721 0.157 19395 1594 1 3 . 1 1 83 83 ASP N N 83 121.828 121.828 120.279 1.549 19395 1595 1 3 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.110 0.129 19395 1596 1 3 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.287 0.992 19395 1597 1 3 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.208 -1.059 19395 1598 1 3 . 1 1 83 83 ASP H H 83 8.156 8.156 7.854 0.302 19395 1599 1 3 . 1 1 84 84 TRP N N 84 124.374 124.374 121.763 2.611 19395 1600 1 3 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.108 0.816 19395 1601 1 3 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.898 -0.875 19395 1602 1 3 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.703 0.107 19395 1603 1 3 . 1 1 84 84 TRP H H 84 8.939 8.939 7.613 1.326 19395 1604 1 3 . 1 1 85 85 LEU N N 85 117.918 117.918 116.760 1.158 19395 1605 1 3 . 1 1 85 85 LEU HA H 85 3.760 3.760 3.938 -0.178 19395 1606 1 3 . 1 1 85 85 LEU CA C 85 57.998 57.998 58.628 -0.630 19395 1607 1 3 . 1 1 85 85 LEU CB C 85 41.329 41.329 41.285 0.043 19395 1608 1 3 . 1 1 85 85 LEU H H 85 8.723 8.723 8.020 0.703 19395 1609 1 3 . 1 1 86 86 SER N N 86 114.182 114.182 115.583 -1.401 19395 1610 1 3 . 1 1 86 86 SER HA H 86 4.187 4.187 4.118 0.069 19395 1611 1 3 . 1 1 86 86 SER CA C 86 61.997 61.997 61.668 0.329 19395 1612 1 3 . 1 1 86 86 SER CB C 86 62.984 62.984 63.281 -0.297 19395 1613 1 3 . 1 1 86 86 SER H H 86 8.067 8.067 8.132 -0.065 19395 1614 1 3 . 1 1 87 87 LEU N N 87 125.441 125.441 122.610 2.831 19395 1615 1 3 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.144 0.066 19395 1616 1 3 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.278 0.659 19395 1617 1 3 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.669 0.910 19395 1618 1 3 . 1 1 87 87 LEU H H 87 8.300 8.300 8.353 -0.053 19395 1619 1 3 . 1 1 88 88 VAL N N 88 116.784 116.784 116.042 0.742 19395 1620 1 3 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.728 -0.662 19395 1621 1 3 . 1 1 88 88 VAL CA C 88 66.385 66.385 66.934 -0.549 19395 1622 1 3 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.317 -0.553 19395 1623 1 3 . 1 1 88 88 VAL H H 88 8.468 8.468 7.786 0.682 19395 1624 1 3 . 1 1 89 89 LYS N N 89 118.569 118.569 120.166 -1.597 19395 1625 1 3 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.308 -0.283 19395 1626 1 3 . 1 1 89 89 LYS CA C 89 59.476 59.476 59.110 0.366 19395 1627 1 3 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.547 0.309 19395 1628 1 3 . 1 1 89 89 LYS H H 89 7.652 7.652 8.540 -0.888 19395 1629 1 3 . 1 1 90 90 ALA N N 90 119.043 119.043 121.681 -2.638 19395 1630 1 3 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.315 -0.164 19395 1631 1 3 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.852 1.193 19395 1632 1 3 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.730 -1.276 19395 1633 1 3 . 1 1 90 90 ALA H H 90 7.616 7.616 8.006 -0.390 19395 1634 1 3 . 1 1 91 91 LYS N N 91 117.654 117.654 120.366 -2.712 19395 1635 1 3 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.920 0.017 19395 1636 1 3 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.141 -1.387 19395 1637 1 3 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.966 -1.803 19395 1638 1 3 . 1 1 91 91 LYS H H 91 8.658 8.658 8.616 0.042 19395 1639 1 3 . 1 1 92 92 PHE N N 92 113.471 113.471 118.762 -5.291 19395 1640 1 3 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.384 0.235 19395 1641 1 3 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.137 -0.542 19395 1642 1 3 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.220 -1.536 19395 1643 1 3 . 1 1 92 92 PHE H H 92 7.472 7.472 8.392 -0.920 19395 1644 1 3 . 1 1 93 93 CYS N N 93 117.138 117.138 118.769 -1.631 19395 1645 1 3 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.770 0.593 19395 1646 1 3 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.647 2.317 19395 1647 1 3 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.107 0.371 19395 1648 1 3 . 1 1 93 93 CYS H H 93 7.562 7.562 7.268 0.294 19395 1649 1 3 . 1 1 94 94 GLU N N 94 118.594 118.594 120.016 -1.422 19395 1650 1 3 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.324 -0.197 19395 1651 1 3 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.496 1.545 19395 1652 1 3 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.319 -0.246 19395 1653 1 3 . 1 1 94 94 GLU H H 94 8.236 8.236 8.308 -0.072 19395 1654 1 3 . 1 1 95 95 ALA N N 95 121.081 121.081 123.318 -2.237 19395 1655 1 3 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.761 0.116 19395 1656 1 3 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.194 0.175 19395 1657 1 3 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.949 -1.825 19395 1658 1 3 . 1 1 95 95 ALA H H 95 7.898 7.898 7.813 0.085 19395 1659 1 3 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.392 0.431 19395 1660 1 3 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.378 0.589 19395 1661 1 3 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.494 1.062 19395 1662 1 3 . 1 1 97 97 GLY N N 97 113.478 113.478 113.106 0.372 19395 1663 1 3 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.619 0.080 19395 1664 1 3 . 1 1 97 97 GLY H H 97 9.198 9.198 8.264 0.934 19395 1665 1 3 . 1 1 98 98 SER N N 98 115.643 115.643 114.903 0.740 19395 1666 1 3 . 1 1 98 98 SER HA H 98 4.560 4.560 4.250 0.310 19395 1667 1 3 . 1 1 98 98 SER CA C 98 58.923 58.923 59.313 -0.390 19395 1668 1 3 . 1 1 98 98 SER CB C 98 64.427 64.427 64.813 -0.386 19395 1669 1 3 . 1 1 98 98 SER H H 98 8.066 8.066 7.329 0.737 19395 1670 1 3 . 1 1 99 99 CYS N N 99 115.484 115.484 118.022 -2.538 19395 1671 1 3 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.133 0.264 19395 1672 1 3 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.303 -1.516 19395 1673 1 3 . 1 1 99 99 CYS CB C 99 29.985 29.985 32.011 -2.026 19395 1674 1 3 . 1 1 99 99 CYS H H 99 7.532 7.532 8.011 -0.479 19395 1675 1 3 . 1 1 100 100 VAL N N 100 128.065 128.065 117.870 10.195 19395 1676 1 3 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.291 0.017 19395 1677 1 3 . 1 1 100 100 VAL CA C 100 61.631 61.631 60.042 1.589 19395 1678 1 3 . 1 1 100 100 VAL CB C 100 34.384 34.384 31.835 2.549 19395 1679 1 3 . 1 1 100 100 VAL H H 100 8.392 8.392 8.180 0.212 19395 1680 1 3 . 1 1 101 101 ALA N N 101 130.346 130.346 129.974 0.372 19395 1681 1 3 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.971 0.789 19395 1682 1 3 . 1 1 101 101 ALA CA C 101 50.101 50.101 51.432 -1.331 19395 1683 1 3 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.328 1.790 19395 1684 1 3 . 1 1 101 101 ALA H H 101 8.882 8.882 8.123 0.759 19395 1685 1 3 . 1 1 102 102 VAL N N 102 120.866 120.866 118.817 2.049 19395 1686 1 3 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.697 0.926 19395 1687 1 3 . 1 1 102 102 VAL CA C 102 58.795 58.795 60.382 -1.587 19395 1688 1 3 . 1 1 102 102 VAL CB C 102 35.140 35.140 36.362 -1.222 19395 1689 1 3 . 1 1 102 102 VAL H H 102 9.359 9.359 8.670 0.689 19395 1690 1 3 . 1 1 103 103 HIS N N 103 120.019 120.019 123.962 -3.943 19395 1691 1 3 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.898 -0.115 19395 1692 1 3 . 1 1 103 103 HIS CA C 103 55.292 55.292 56.085 -0.793 19395 1693 1 3 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.047 2.985 19395 1694 1 3 . 1 1 103 103 HIS H H 103 8.749 8.749 8.596 0.153 19395 1695 1 3 . 1 1 104 104 CYS N N 104 118.175 118.175 124.040 -5.865 19395 1696 1 3 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.732 -0.035 19395 1697 1 3 . 1 1 104 104 CYS CA C 104 56.265 56.265 56.300 -0.035 19395 1698 1 3 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.804 2.375 19395 1699 1 3 . 1 1 104 104 CYS H H 104 8.428 8.428 8.418 0.010 19395 1700 1 3 . 1 1 105 105 VAL N N 105 125.962 125.962 123.074 2.888 19395 1701 1 3 . 1 1 105 105 VAL HA H 105 4.219 4.219 4.003 0.216 19395 1702 1 3 . 1 1 105 105 VAL CA C 105 66.483 66.483 62.483 4.000 19395 1703 1 3 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.700 -0.317 19395 1704 1 3 . 1 1 105 105 VAL H H 105 8.422 8.422 8.153 0.269 19395 1705 1 3 . 1 1 106 106 ALA N N 106 123.180 123.180 122.031 1.149 19395 1706 1 3 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.231 0.464 19395 1707 1 3 . 1 1 106 106 ALA CA C 106 52.862 52.862 54.394 -1.532 19395 1708 1 3 . 1 1 106 106 ALA CB C 106 20.123 20.123 18.381 1.742 19395 1709 1 3 . 1 1 106 106 ALA H H 106 9.997 9.997 8.258 1.739 19395 1710 1 3 . 1 1 107 107 GLY N N 107 109.076 109.076 104.919 4.157 19395 1711 1 3 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.634 1.985 19395 1712 1 3 . 1 1 107 107 GLY H H 107 8.019 8.019 7.673 0.346 19395 1713 1 3 . 1 1 108 108 LEU N N 108 117.413 117.413 123.033 -5.620 19395 1714 1 3 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.799 0.665 19395 1715 1 3 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.242 0.540 19395 1716 1 3 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.660 4.160 19395 1717 1 3 . 1 1 108 108 LEU H H 108 7.598 7.598 8.364 -0.766 19395 1718 1 3 . 1 1 109 109 GLY N N 109 111.143 111.143 106.925 4.218 19395 1719 1 3 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.776 -0.136 19395 1720 1 3 . 1 1 109 109 GLY H H 109 10.576 10.576 8.747 1.829 19395 1721 1 3 . 1 1 110 110 ARG N N 110 127.464 127.464 123.509 3.955 19395 1722 1 3 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.847 -0.292 19395 1723 1 3 . 1 1 110 110 ARG CA C 110 60.426 60.426 59.084 1.342 19395 1724 1 3 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.372 2.811 19395 1725 1 3 . 1 1 110 110 ARG H H 110 10.234 10.234 8.442 1.792 19395 1726 1 3 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.221 -0.337 19395 1727 1 3 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.499 1.033 19395 1728 1 3 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.534 -0.625 19395 1729 1 3 . 1 1 113 113 VAL N N 113 116.720 116.720 119.622 -2.902 19395 1730 1 3 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.612 -0.052 19395 1731 1 3 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.698 0.032 19395 1732 1 3 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.080 -0.557 19395 1733 1 3 . 1 1 113 113 VAL H H 113 8.340 8.340 8.471 -0.131 19395 1734 1 3 . 1 1 114 114 LEU N N 114 119.045 119.045 119.912 -0.867 19395 1735 1 3 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.106 -0.448 19395 1736 1 3 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.250 -0.220 19395 1737 1 3 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.072 -2.273 19395 1738 1 3 . 1 1 114 114 LEU H H 114 6.990 6.990 8.522 -1.532 19395 1739 1 3 . 1 1 115 115 VAL N N 115 120.270 120.270 118.463 1.807 19395 1740 1 3 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.360 -0.317 19395 1741 1 3 . 1 1 115 115 VAL CA C 115 67.509 67.509 65.870 1.639 19395 1742 1 3 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.584 -0.796 19395 1743 1 3 . 1 1 115 115 VAL H H 115 7.188 7.188 7.632 -0.444 19395 1744 1 3 . 1 1 116 116 ALA N N 116 121.280 121.280 122.793 -1.513 19395 1745 1 3 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.051 -0.290 19395 1746 1 3 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.140 0.717 19395 1747 1 3 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.429 -0.561 19395 1748 1 3 . 1 1 116 116 ALA H H 116 8.649 8.649 8.357 0.292 19395 1749 1 3 . 1 1 117 117 LEU N N 117 116.557 116.557 120.408 -3.851 19395 1750 1 3 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.882 -0.114 19395 1751 1 3 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.710 0.650 19395 1752 1 3 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.937 2.130 19395 1753 1 3 . 1 1 117 117 LEU H H 117 8.048 8.048 7.590 0.458 19395 1754 1 3 . 1 1 118 118 ALA N N 118 119.916 119.916 120.102 -0.186 19395 1755 1 3 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.515 0.554 19395 1756 1 3 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.270 1.094 19395 1757 1 3 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.257 1.370 19395 1758 1 3 . 1 1 118 118 ALA H H 118 7.691 7.691 6.715 0.976 19395 1759 1 3 . 1 1 119 119 LEU N N 119 116.962 116.962 119.655 -2.693 19395 1760 1 3 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.059 -0.184 19395 1761 1 3 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.581 0.844 19395 1762 1 3 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.845 -2.060 19395 1763 1 3 . 1 1 119 119 LEU H H 119 7.988 7.988 7.538 0.450 19395 1764 1 3 . 1 1 120 120 ILE N N 120 123.209 123.209 119.073 4.136 19395 1765 1 3 . 1 1 120 120 ILE HA H 120 4.749 4.749 4.015 0.734 19395 1766 1 3 . 1 1 120 120 ILE CA C 120 64.104 64.104 63.534 0.570 19395 1767 1 3 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.635 1.607 19395 1768 1 3 . 1 1 120 120 ILE H H 120 8.643 8.643 8.113 0.530 19395 1769 1 3 . 1 1 121 121 GLU N N 121 121.219 121.219 118.512 2.707 19395 1770 1 3 . 1 1 121 121 GLU HA H 121 4.508 4.508 4.006 0.502 19395 1771 1 3 . 1 1 121 121 GLU CA C 121 59.139 59.139 58.617 0.522 19395 1772 1 3 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.994 0.239 19395 1773 1 3 . 1 1 121 121 GLU H H 121 8.680 8.680 7.823 0.857 19395 1774 1 3 . 1 1 122 122 SER N N 122 114.306 114.306 113.007 1.299 19395 1775 1 3 . 1 1 122 122 SER HA H 122 4.783 4.783 4.250 0.533 19395 1776 1 3 . 1 1 122 122 SER CA C 122 58.581 58.581 59.593 -1.012 19395 1777 1 3 . 1 1 122 122 SER CB C 122 64.656 64.656 63.660 0.996 19395 1778 1 3 . 1 1 122 122 SER H H 122 7.834 7.834 7.824 0.010 19395 1779 1 3 . 1 1 123 123 GLY N N 123 108.666 108.666 108.246 0.420 19395 1780 1 3 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.664 0.416 19395 1781 1 3 . 1 1 123 123 GLY H H 123 7.902 7.902 7.578 0.324 19395 1782 1 3 . 1 1 124 124 MET N N 124 123.358 123.358 119.749 3.609 19395 1783 1 3 . 1 1 124 124 MET HA H 124 4.258 4.258 4.719 -0.461 19395 1784 1 3 . 1 1 124 124 MET CA C 124 56.698 56.698 53.403 3.295 19395 1785 1 3 . 1 1 124 124 MET CB C 124 34.104 34.104 36.014 -1.910 19395 1786 1 3 . 1 1 124 124 MET H H 124 7.970 7.970 7.425 0.545 19395 1787 1 3 . 1 1 125 125 LYS N N 125 125.848 125.848 123.780 2.068 19395 1788 1 3 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.416 -0.122 19395 1789 1 3 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.316 0.593 19395 1790 1 3 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.295 0.442 19395 1791 1 3 . 1 1 125 125 LYS H H 125 8.903 8.903 8.447 0.456 19395 1792 1 3 . 1 1 126 126 TYR N N 126 124.016 124.016 128.094 -4.078 19395 1793 1 3 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.962 0.098 19395 1794 1 3 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.492 -0.758 19395 1795 1 3 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.793 0.149 19395 1796 1 3 . 1 1 126 126 TYR H H 126 9.242 9.242 9.154 0.088 19395 1797 1 3 . 1 1 127 127 GLU N N 127 119.702 119.702 118.094 1.608 19395 1798 1 3 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.211 0.182 19395 1799 1 3 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.585 0.630 19395 1800 1 3 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.570 0.415 19395 1801 1 3 . 1 1 127 127 GLU H H 127 9.102 9.102 8.675 0.427 19395 1802 1 3 . 1 1 128 128 ASP N N 128 118.661 118.661 119.076 -0.415 19395 1803 1 3 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.263 0.148 19395 1804 1 3 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.361 -0.787 19395 1805 1 3 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.686 -0.580 19395 1806 1 3 . 1 1 128 128 ASP H H 128 6.782 6.782 8.135 -1.353 19395 1807 1 3 . 1 1 129 129 ALA N N 129 125.068 125.068 122.622 2.446 19395 1808 1 3 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.008 0.219 19395 1809 1 3 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.294 0.118 19395 1810 1 3 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.410 -0.098 19395 1811 1 3 . 1 1 129 129 ALA H H 129 8.365 8.365 8.425 -0.060 19395 1812 1 3 . 1 1 130 130 ILE N N 130 115.533 115.533 119.255 -3.722 19395 1813 1 3 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.604 -0.113 19395 1814 1 3 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.622 1.494 19395 1815 1 3 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.416 0.370 19395 1816 1 3 . 1 1 130 130 ILE H H 130 8.044 8.044 8.286 -0.242 19395 1817 1 3 . 1 1 131 131 GLN N N 131 118.503 118.503 117.809 0.694 19395 1818 1 3 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.959 0.057 19395 1819 1 3 . 1 1 131 131 GLN CA C 131 58.791 58.791 59.179 -0.388 19395 1820 1 3 . 1 1 131 131 GLN CB C 131 28.439 28.439 28.436 0.003 19395 1821 1 3 . 1 1 131 131 GLN H H 131 7.426 7.426 8.005 -0.579 19395 1822 1 3 . 1 1 132 132 PHE N N 132 120.679 120.679 120.680 -0.001 19395 1823 1 3 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.269 0.054 19395 1824 1 3 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.017 0.159 19395 1825 1 3 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.087 0.763 19395 1826 1 3 . 1 1 132 132 PHE H H 132 8.416 8.416 7.450 0.966 19395 1827 1 3 . 1 1 133 133 ILE N N 133 116.466 116.466 115.883 0.583 19395 1828 1 3 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.637 -0.148 19395 1829 1 3 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.002 -0.005 19395 1830 1 3 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.642 -0.081 19395 1831 1 3 . 1 1 133 133 ILE H H 133 7.964 7.964 8.109 -0.145 19395 1832 1 3 . 1 1 134 134 ARG N N 134 119.204 119.204 119.347 -0.143 19395 1833 1 3 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.201 0.121 19395 1834 1 3 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.335 0.825 19395 1835 1 3 . 1 1 134 134 ARG CB C 134 30.212 30.212 30.664 -0.452 19395 1836 1 3 . 1 1 134 134 ARG H H 134 8.449 8.449 8.368 0.081 19395 1837 1 3 . 1 1 135 135 GLN N N 135 117.511 117.511 118.453 -0.942 19395 1838 1 3 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.160 -0.123 19395 1839 1 3 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.196 0.141 19395 1840 1 3 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.483 -0.044 19395 1841 1 3 . 1 1 135 135 GLN H H 135 7.829 7.829 8.010 -0.181 19395 1842 1 3 . 1 1 136 136 LYS N N 136 116.364 116.364 117.297 -0.933 19395 1843 1 3 . 1 1 136 136 LYS HA H 136 4.294 4.294 3.972 0.322 19395 1844 1 3 . 1 1 136 136 LYS CA C 136 56.209 56.209 58.128 -1.919 19395 1845 1 3 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.392 0.587 19395 1846 1 3 . 1 1 136 136 LYS H H 136 7.280 7.280 7.884 -0.604 19395 1847 1 3 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.789 -0.944 19395 1848 1 3 . 1 1 140 140 ALA N N 140 121.841 121.841 122.118 -0.277 19395 1849 1 3 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.184 0.172 19395 1850 1 3 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.487 -0.160 19395 1851 1 3 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.572 0.002 19395 1852 1 3 . 1 1 140 140 ALA H H 140 7.553 7.553 7.992 -0.439 19395 1853 1 3 . 1 1 141 141 ILE N N 141 113.228 113.228 115.700 -2.472 19395 1854 1 3 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.264 -0.926 19395 1855 1 3 . 1 1 141 141 ILE CA C 141 65.889 65.889 59.615 6.274 19395 1856 1 3 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.583 -4.395 19395 1857 1 3 . 1 1 141 141 ILE H H 141 8.744 8.744 8.109 0.635 19395 1858 1 3 . 1 1 142 142 ASN N N 142 126.808 126.808 118.106 8.702 19395 1859 1 3 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.558 0.165 19395 1860 1 3 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.265 -3.182 19395 1861 1 3 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.759 -0.829 19395 1862 1 3 . 1 1 142 142 ASN H H 142 8.538 8.538 8.141 0.397 19395 1863 1 3 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.976 0.191 19395 1864 1 3 . 1 1 145 145 GLN N N 145 120.931 120.931 118.686 2.245 19395 1865 1 3 . 1 1 145 145 GLN HA H 145 3.735 3.735 3.998 -0.263 19395 1866 1 3 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.365 0.470 19395 1867 1 3 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.783 0.020 19395 1868 1 3 . 1 1 145 145 GLN H H 145 8.737 8.737 8.211 0.526 19395 1869 1 3 . 1 1 146 146 LEU N N 146 122.433 122.433 120.419 2.014 19395 1870 1 3 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.184 -0.209 19395 1871 1 3 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.661 0.352 19395 1872 1 3 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.893 -0.097 19395 1873 1 3 . 1 1 146 146 LEU H H 146 8.917 8.917 8.268 0.649 19395 1874 1 3 . 1 1 147 147 THR N N 147 115.378 115.378 113.271 2.107 19395 1875 1 3 . 1 1 147 147 THR HA H 147 3.936 3.936 3.895 0.041 19395 1876 1 3 . 1 1 147 147 THR CA C 147 66.512 66.512 65.585 0.926 19395 1877 1 3 . 1 1 147 147 THR CB C 147 68.865 68.865 68.188 0.677 19395 1878 1 3 . 1 1 147 147 THR H H 147 7.948 7.948 7.871 0.077 19395 1879 1 3 . 1 1 148 148 TYR N N 148 120.402 120.402 123.694 -3.292 19395 1880 1 3 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.168 -0.086 19395 1881 1 3 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.533 -0.338 19395 1882 1 3 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.234 -0.257 19395 1883 1 3 . 1 1 148 148 TYR H H 148 7.366 7.366 8.379 -1.013 19395 1884 1 3 . 1 1 149 149 LEU N N 149 119.957 119.957 118.871 1.086 19395 1885 1 3 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.428 0.300 19395 1886 1 3 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.545 0.996 19395 1887 1 3 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.545 2.018 19395 1888 1 3 . 1 1 149 149 LEU H H 149 7.968 7.968 7.596 0.372 19395 1889 1 3 . 1 1 150 150 GLU N N 150 120.132 120.132 117.500 2.632 19395 1890 1 3 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.571 -1.188 19395 1891 1 3 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.674 -0.212 19395 1892 1 3 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.625 -0.044 19395 1893 1 3 . 1 1 150 150 GLU H H 150 8.305 8.305 7.398 0.907 19395 1894 1 3 . 1 1 151 151 LYS N N 151 114.600 114.600 115.815 -1.215 19395 1895 1 3 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.196 -0.125 19395 1896 1 3 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.833 -1.201 19395 1897 1 3 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.507 -0.560 19395 1898 1 3 . 1 1 151 151 LYS H H 151 7.106 7.106 7.355 -0.249 19395 1899 1 3 . 1 1 152 152 TYR N N 152 123.664 123.664 121.871 1.793 19395 1900 1 3 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.185 -0.410 19395 1901 1 3 . 1 1 152 152 TYR CA C 152 59.659 59.659 58.940 0.719 19395 1902 1 3 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.756 -0.511 19395 1903 1 3 . 1 1 152 152 TYR H H 152 7.187 7.187 7.579 -0.392 19395 1904 1 3 . 1 1 153 153 ARG N N 153 130.321 130.321 126.771 3.550 19395 1905 1 3 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.563 0.202 19395 1906 1 3 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.984 -0.471 19395 1907 1 3 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.493 -1.313 19395 1908 1 3 . 1 1 153 153 ARG H H 153 7.760 7.760 8.002 -0.242 19395 1909 1 3 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.907 -0.267 19395 1910 1 3 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.741 -0.686 19395 1911 1 3 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.316 1.287 19395 1912 1 3 . 1 1 155 155 LYS N N 155 122.066 122.066 122.206 -0.140 19395 1913 1 3 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.113 0.325 19395 1914 1 3 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.645 -0.722 19395 1915 1 3 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.263 1.180 19395 1916 1 3 . 1 1 155 155 LYS H H 155 9.586 9.586 8.544 1.042 19395 1917 1 3 . 1 1 156 156 GLN N N 156 117.702 117.702 115.924 1.778 19395 1918 1 3 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.020 0.346 19395 1919 1 3 . 1 1 156 156 GLN CA C 156 56.549 56.549 56.752 -0.202 19395 1920 1 3 . 1 1 156 156 GLN CB C 156 26.728 26.728 26.280 0.448 19395 1921 1 3 . 1 1 156 156 GLN H H 156 8.334 8.334 8.235 0.099 19395 1922 1 3 . 1 1 157 157 ARG N N 157 117.466 117.466 118.985 -1.519 19395 1923 1 3 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.248 -0.093 19395 1924 1 3 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.642 0.380 19395 1925 1 3 . 1 1 157 157 ARG CB C 157 30.769 30.769 30.994 -0.226 19395 1926 1 3 . 1 1 157 157 ARG H H 157 8.983 8.983 8.463 0.520 19395 1927 1 3 . 1 1 158 158 LEU N N 158 117.973 117.973 117.922 0.051 19395 1928 1 3 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.211 0.418 19395 1929 1 3 . 1 1 158 158 LEU CA C 158 53.469 53.469 56.602 -3.133 19395 1930 1 3 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.398 -0.893 19395 1931 1 3 . 1 1 158 158 LEU H H 158 8.123 8.123 7.972 0.151 19395 1932 1 3 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.392 -0.279 19395 1933 1 3 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.965 1.522 19395 1934 1 3 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.950 -1.776 19395 1935 1 3 . 1 1 161 161 LYS H H 161 7.856 7.856 8.390 -0.534 19395 1936 1 4 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.461 -0.114 19395 1937 1 4 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.764 -0.226 19395 1938 1 4 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.701 -0.909 19395 1939 1 4 . 1 1 8 8 ALA N N 8 126.708 126.708 126.313 0.395 19395 1940 1 4 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.742 -0.131 19395 1941 1 4 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.004 1.304 19395 1942 1 4 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.150 -0.945 19395 1943 1 4 . 1 1 8 8 ALA H H 8 8.399 8.399 8.183 0.216 19395 1944 1 4 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.348 0.303 19395 1945 1 4 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.010 0.573 19395 1946 1 4 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.391 0.120 19395 1947 1 4 . 1 1 10 10 VAL N N 10 118.581 118.581 119.858 -1.277 19395 1948 1 4 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.328 -0.027 19395 1949 1 4 . 1 1 10 10 VAL CA C 10 60.833 60.833 60.954 -0.121 19395 1950 1 4 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.293 0.384 19395 1951 1 4 . 1 1 10 10 VAL H H 10 8.025 8.025 7.988 0.037 19395 1952 1 4 . 1 1 11 11 GLU N N 11 129.673 129.673 129.408 0.265 19395 1953 1 4 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.066 0.019 19395 1954 1 4 . 1 1 11 11 GLU CA C 11 54.747 54.747 54.828 -0.081 19395 1955 1 4 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.182 0.947 19395 1956 1 4 . 1 1 11 11 GLU H H 11 8.723 8.723 8.787 -0.064 19395 1957 1 4 . 1 1 12 12 VAL N N 12 127.093 127.093 127.732 -0.639 19395 1958 1 4 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.478 -0.195 19395 1959 1 4 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.483 1.113 19395 1960 1 4 . 1 1 12 12 VAL CB C 12 34.546 34.546 34.449 0.097 19395 1961 1 4 . 1 1 12 12 VAL H H 12 9.247 9.247 9.136 0.111 19395 1962 1 4 . 1 1 13 13 SER N N 13 123.385 123.385 125.027 -1.642 19395 1963 1 4 . 1 1 13 13 SER HA H 13 5.302 5.302 4.916 0.386 19395 1964 1 4 . 1 1 13 13 SER CA C 13 56.409 56.409 58.360 -1.951 19395 1965 1 4 . 1 1 13 13 SER CB C 13 64.981 64.981 64.119 0.862 19395 1966 1 4 . 1 1 13 13 SER H H 13 9.001 9.001 8.376 0.625 19395 1967 1 4 . 1 1 14 14 TYR N N 14 124.413 124.413 127.673 -3.260 19395 1968 1 4 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.618 -0.081 19395 1969 1 4 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.624 0.609 19395 1970 1 4 . 1 1 14 14 TYR CB C 14 41.579 41.579 40.047 1.532 19395 1971 1 4 . 1 1 14 14 TYR H H 14 8.347 8.347 9.067 -0.720 19395 1972 1 4 . 1 1 15 15 LYS N N 15 125.130 125.130 119.482 5.648 19395 1973 1 4 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.972 -0.573 19395 1974 1 4 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.403 -0.029 19395 1975 1 4 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.324 -2.430 19395 1976 1 4 . 1 1 15 15 LYS H H 15 8.820 8.820 7.990 0.830 19395 1977 1 4 . 1 1 16 16 HIS N N 16 121.278 121.278 118.021 3.257 19395 1978 1 4 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.720 -0.270 19395 1979 1 4 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.288 1.450 19395 1980 1 4 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.858 0.371 19395 1981 1 4 . 1 1 16 16 HIS H H 16 8.784 8.784 8.150 0.634 19395 1982 1 4 . 1 1 17 17 MET N N 17 120.113 120.113 114.854 5.259 19395 1983 1 4 . 1 1 17 17 MET HA H 17 2.326 2.326 4.797 -2.471 19395 1984 1 4 . 1 1 17 17 MET CA C 17 54.714 54.714 55.194 -0.479 19395 1985 1 4 . 1 1 17 17 MET CB C 17 34.848 34.848 35.480 -0.632 19395 1986 1 4 . 1 1 17 17 MET H H 17 8.106 8.106 7.443 0.663 19395 1987 1 4 . 1 1 18 18 ARG N N 18 121.252 121.252 119.932 1.320 19395 1988 1 4 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.325 -0.486 19395 1989 1 4 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.465 0.328 19395 1990 1 4 . 1 1 18 18 ARG CB C 18 33.816 33.816 34.093 -0.276 19395 1991 1 4 . 1 1 18 18 ARG H H 18 5.904 5.904 8.646 -2.742 19395 1992 1 4 . 1 1 19 19 PHE N N 19 121.195 121.195 121.891 -0.696 19395 1993 1 4 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.156 0.844 19395 1994 1 4 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.836 -0.218 19395 1995 1 4 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.833 -0.216 19395 1996 1 4 . 1 1 19 19 PHE H H 19 9.178 9.178 9.284 -0.106 19395 1997 1 4 . 1 1 20 20 LEU N N 20 123.804 123.804 122.578 1.226 19395 1998 1 4 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.295 -0.185 19395 1999 1 4 . 1 1 20 20 LEU CA C 20 52.568 52.568 53.764 -1.196 19395 2000 1 4 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.727 2.156 19395 2001 1 4 . 1 1 20 20 LEU H H 20 8.601 8.601 9.263 -0.662 19395 2002 1 4 . 1 1 21 21 ILE N N 21 126.661 126.661 123.031 3.630 19395 2003 1 4 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.270 -0.139 19395 2004 1 4 . 1 1 21 21 ILE CA C 21 60.828 60.828 58.892 1.936 19395 2005 1 4 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.340 0.869 19395 2006 1 4 . 1 1 21 21 ILE H H 21 9.323 9.323 9.158 0.165 19395 2007 1 4 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.555 -0.226 19395 2008 1 4 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.421 -1.603 19395 2009 1 4 . 1 1 25 25 PRO CB C 25 32.524 32.524 32.300 0.224 19395 2010 1 4 . 1 1 26 26 THR N N 26 131.812 131.812 117.193 14.619 19395 2011 1 4 . 1 1 26 26 THR H H 26 6.781 6.781 8.470 -1.689 19395 2012 1 4 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.168 0.176 19395 2013 1 4 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.337 0.684 19395 2014 1 4 . 1 1 28 28 ALA CB C 28 19.183 19.183 18.953 0.230 19395 2015 1 4 . 1 1 29 29 THR N N 29 104.375 104.375 110.706 -6.331 19395 2016 1 4 . 1 1 29 29 THR HA H 29 4.847 4.847 4.281 0.566 19395 2017 1 4 . 1 1 29 29 THR CA C 29 60.370 60.370 61.094 -0.724 19395 2018 1 4 . 1 1 29 29 THR CB C 29 69.135 69.135 70.178 -1.043 19395 2019 1 4 . 1 1 29 29 THR H H 29 7.642 7.642 7.558 0.084 19395 2020 1 4 . 1 1 30 30 LEU N N 30 124.383 124.383 120.364 4.019 19395 2021 1 4 . 1 1 30 30 LEU HA H 30 4.013 4.013 4.211 -0.198 19395 2022 1 4 . 1 1 30 30 LEU CA C 30 57.711 57.711 55.838 1.873 19395 2023 1 4 . 1 1 30 30 LEU CB C 30 42.354 42.354 41.111 1.243 19395 2024 1 4 . 1 1 30 30 LEU H H 30 7.356 7.356 8.081 -0.725 19395 2025 1 4 . 1 1 31 31 SER N N 31 111.792 111.792 114.178 -2.386 19395 2026 1 4 . 1 1 31 31 SER H H 31 6.915 6.915 8.473 -1.558 19395 2027 1 4 . 1 1 32 32 THR N N 32 116.374 116.374 118.498 -2.124 19395 2028 1 4 . 1 1 32 32 THR HA H 32 4.109 4.109 4.203 -0.094 19395 2029 1 4 . 1 1 32 32 THR CA C 32 65.142 65.142 65.283 -0.141 19395 2030 1 4 . 1 1 32 32 THR CB C 32 68.628 68.628 68.905 -0.277 19395 2031 1 4 . 1 1 32 32 THR H H 32 7.589 7.589 8.360 -0.771 19395 2032 1 4 . 1 1 33 33 PHE N N 33 124.790 124.790 123.063 1.727 19395 2033 1 4 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.178 0.297 19395 2034 1 4 . 1 1 33 33 PHE CA C 33 61.050 61.050 61.405 -0.355 19395 2035 1 4 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.667 1.172 19395 2036 1 4 . 1 1 33 33 PHE H H 33 7.644 7.644 8.369 -0.725 19395 2037 1 4 . 1 1 34 34 ILE N N 34 117.776 117.776 116.996 0.780 19395 2038 1 4 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.015 0.332 19395 2039 1 4 . 1 1 34 34 ILE CA C 34 67.022 67.022 64.496 2.526 19395 2040 1 4 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.487 -5.841 19395 2041 1 4 . 1 1 34 34 ILE H H 34 8.535 8.535 7.622 0.913 19395 2042 1 4 . 1 1 35 35 GLU N N 35 119.202 119.202 118.978 0.224 19395 2043 1 4 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.905 0.022 19395 2044 1 4 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.637 0.109 19395 2045 1 4 . 1 1 35 35 GLU CB C 35 29.375 29.375 28.975 0.400 19395 2046 1 4 . 1 1 35 35 GLU H H 35 7.512 7.512 7.666 -0.154 19395 2047 1 4 . 1 1 36 36 ASP N N 36 121.117 121.117 120.452 0.665 19395 2048 1 4 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.515 0.039 19395 2049 1 4 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.295 0.642 19395 2050 1 4 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.814 -0.695 19395 2051 1 4 . 1 1 36 36 ASP H H 36 8.049 8.049 7.942 0.107 19395 2052 1 4 . 1 1 37 37 LEU N N 37 119.257 119.257 116.509 2.748 19395 2053 1 4 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.197 -0.444 19395 2054 1 4 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.623 0.880 19395 2055 1 4 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.179 -1.219 19395 2056 1 4 . 1 1 37 37 LEU H H 37 8.016 8.016 7.476 0.540 19395 2057 1 4 . 1 1 38 38 LYS N N 38 117.743 117.743 119.437 -1.694 19395 2058 1 4 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.097 0.001 19395 2059 1 4 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.224 0.080 19395 2060 1 4 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.866 -0.598 19395 2061 1 4 . 1 1 38 38 LYS H H 38 8.336 8.336 7.927 0.409 19395 2062 1 4 . 1 1 39 39 LYS N N 39 122.164 122.164 117.930 4.234 19395 2063 1 4 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.084 0.072 19395 2064 1 4 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.829 0.604 19395 2065 1 4 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.099 0.312 19395 2066 1 4 . 1 1 39 39 LYS H H 39 8.113 8.113 8.163 -0.050 19395 2067 1 4 . 1 1 40 40 TYR N N 40 114.347 114.347 118.040 -3.693 19395 2068 1 4 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.308 0.087 19395 2069 1 4 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.284 0.366 19395 2070 1 4 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.320 1.376 19395 2071 1 4 . 1 1 40 40 TYR H H 40 7.626 7.626 7.962 -0.336 19395 2072 1 4 . 1 1 41 41 GLY N N 41 109.921 109.921 105.508 4.413 19395 2073 1 4 . 1 1 41 41 GLY CA C 41 46.766 46.766 44.943 1.823 19395 2074 1 4 . 1 1 41 41 GLY H H 41 7.878 7.878 7.464 0.414 19395 2075 1 4 . 1 1 42 42 ALA N N 42 123.757 123.757 123.600 0.157 19395 2076 1 4 . 1 1 42 42 ALA HA H 42 5.158 5.158 4.727 0.431 19395 2077 1 4 . 1 1 42 42 ALA CA C 42 51.138 51.138 51.965 -0.827 19395 2078 1 4 . 1 1 42 42 ALA CB C 42 19.909 19.909 19.440 0.469 19395 2079 1 4 . 1 1 42 42 ALA H H 42 8.544 8.544 7.613 0.931 19395 2080 1 4 . 1 1 43 43 THR N N 43 109.574 109.574 115.307 -5.733 19395 2081 1 4 . 1 1 43 43 THR HA H 43 4.479 4.479 4.389 0.090 19395 2082 1 4 . 1 1 43 43 THR CA C 43 61.144 61.144 61.236 -0.092 19395 2083 1 4 . 1 1 43 43 THR CB C 43 69.180 69.180 68.803 0.377 19395 2084 1 4 . 1 1 43 43 THR H H 43 7.969 7.969 8.364 -0.395 19395 2085 1 4 . 1 1 44 44 THR N N 44 118.101 118.101 116.360 1.741 19395 2086 1 4 . 1 1 44 44 THR HA H 44 5.226 5.226 4.979 0.247 19395 2087 1 4 . 1 1 44 44 THR CA C 44 62.061 62.061 62.031 0.030 19395 2088 1 4 . 1 1 44 44 THR CB C 44 72.595 72.595 72.497 0.098 19395 2089 1 4 . 1 1 44 44 THR H H 44 7.458 7.458 7.141 0.317 19395 2090 1 4 . 1 1 45 45 VAL N N 45 127.571 127.571 123.613 3.958 19395 2091 1 4 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.446 0.256 19395 2092 1 4 . 1 1 45 45 VAL CA C 45 60.504 60.504 61.179 -0.675 19395 2093 1 4 . 1 1 45 45 VAL CB C 45 35.182 35.182 33.068 2.114 19395 2094 1 4 . 1 1 45 45 VAL H H 45 9.398 9.398 8.910 0.488 19395 2095 1 4 . 1 1 46 46 VAL N N 46 129.011 129.011 120.809 8.202 19395 2096 1 4 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.312 0.018 19395 2097 1 4 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.644 -1.127 19395 2098 1 4 . 1 1 46 46 VAL CB C 46 32.232 32.232 30.192 2.040 19395 2099 1 4 . 1 1 46 46 VAL H H 46 9.342 9.342 9.033 0.309 19395 2100 1 4 . 1 1 47 47 ARG N N 47 129.852 129.852 119.143 10.709 19395 2101 1 4 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.032 0.263 19395 2102 1 4 . 1 1 47 47 ARG CA C 47 56.019 56.019 56.954 -0.935 19395 2103 1 4 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.062 0.755 19395 2104 1 4 . 1 1 47 47 ARG H H 47 9.037 9.037 7.893 1.144 19395 2105 1 4 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.615 -0.681 19395 2106 1 4 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.437 -1.749 19395 2107 1 4 . 1 1 49 49 CYS CB C 49 41.121 41.121 29.080 12.041 19395 2108 1 4 . 1 1 50 50 GLU N N 50 114.931 114.931 120.861 -5.930 19395 2109 1 4 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.177 -0.091 19395 2110 1 4 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.617 -0.317 19395 2111 1 4 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.150 2.295 19395 2112 1 4 . 1 1 50 50 GLU H H 50 8.669 8.669 8.412 0.257 19395 2113 1 4 . 1 1 51 51 VAL N N 51 122.453 122.453 118.093 4.360 19395 2114 1 4 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.057 -0.636 19395 2115 1 4 . 1 1 51 51 VAL CA C 51 64.120 64.120 62.433 1.687 19395 2116 1 4 . 1 1 51 51 VAL CB C 51 32.030 32.030 31.984 0.046 19395 2117 1 4 . 1 1 51 51 VAL H H 51 8.356 8.356 7.731 0.625 19395 2118 1 4 . 1 1 52 52 THR N N 52 118.382 118.382 114.775 3.607 19395 2119 1 4 . 1 1 52 52 THR HA H 52 4.525 4.525 4.356 0.169 19395 2120 1 4 . 1 1 52 52 THR CA C 52 61.197 61.197 61.668 -0.471 19395 2121 1 4 . 1 1 52 52 THR CB C 52 69.429 69.429 69.129 0.300 19395 2122 1 4 . 1 1 52 52 THR H H 52 8.936 8.936 8.018 0.918 19395 2123 1 4 . 1 1 53 53 TYR N N 53 116.747 116.747 118.091 -1.344 19395 2124 1 4 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.784 -0.022 19395 2125 1 4 . 1 1 53 53 TYR CA C 53 55.653 55.653 56.508 -0.855 19395 2126 1 4 . 1 1 53 53 TYR CB C 53 39.833 39.833 39.766 0.068 19395 2127 1 4 . 1 1 53 53 TYR H H 53 7.040 7.040 7.385 -0.345 19395 2128 1 4 . 1 1 54 54 ASP N N 54 123.720 123.720 123.881 -0.161 19395 2129 1 4 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.559 -0.051 19395 2130 1 4 . 1 1 54 54 ASP CA C 54 53.571 53.571 54.234 -0.663 19395 2131 1 4 . 1 1 54 54 ASP CB C 54 41.364 41.364 42.114 -0.750 19395 2132 1 4 . 1 1 54 54 ASP H H 54 9.280 9.280 8.594 0.686 19395 2133 1 4 . 1 1 55 55 LYS N N 55 121.455 121.455 121.770 -0.315 19395 2134 1 4 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.549 -0.030 19395 2135 1 4 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.343 0.601 19395 2136 1 4 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.642 1.298 19395 2137 1 4 . 1 1 55 55 LYS H H 55 8.497 8.497 8.282 0.215 19395 2138 1 4 . 1 1 56 56 THR N N 56 120.743 120.743 119.259 1.484 19395 2139 1 4 . 1 1 56 56 THR HA H 56 4.120 4.120 4.519 -0.399 19395 2140 1 4 . 1 1 56 56 THR CA C 56 68.652 68.652 63.509 5.143 19395 2141 1 4 . 1 1 56 56 THR CB C 56 66.508 66.508 67.817 -1.309 19395 2142 1 4 . 1 1 56 56 THR H H 56 8.701 8.701 8.620 0.081 19395 2143 1 4 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.511 -0.220 19395 2144 1 4 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.293 0.540 19395 2145 1 4 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.200 0.190 19395 2146 1 4 . 1 1 58 58 LEU N N 58 116.313 116.313 116.671 -0.358 19395 2147 1 4 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.183 -0.129 19395 2148 1 4 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.350 1.792 19395 2149 1 4 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.263 0.091 19395 2150 1 4 . 1 1 58 58 LEU H H 58 7.170 7.170 8.134 -0.964 19395 2151 1 4 . 1 1 59 59 GLU N N 59 120.470 120.470 120.704 -0.234 19395 2152 1 4 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.083 0.308 19395 2153 1 4 . 1 1 59 59 GLU CA C 59 59.104 59.104 58.933 0.171 19395 2154 1 4 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.239 0.087 19395 2155 1 4 . 1 1 59 59 GLU H H 59 7.794 7.794 8.766 -0.972 19395 2156 1 4 . 1 1 60 60 LYS N N 60 119.911 119.911 118.915 0.996 19395 2157 1 4 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.244 -0.136 19395 2158 1 4 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.320 1.235 19395 2159 1 4 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.072 -0.009 19395 2160 1 4 . 1 1 60 60 LYS H H 60 8.246 8.246 7.862 0.384 19395 2161 1 4 . 1 1 61 61 ASP N N 61 119.142 119.142 117.698 1.444 19395 2162 1 4 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.689 0.281 19395 2163 1 4 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.440 -0.661 19395 2164 1 4 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.821 1.066 19395 2165 1 4 . 1 1 61 61 ASP H H 61 7.235 7.235 7.594 -0.359 19395 2166 1 4 . 1 1 62 62 GLY N N 62 105.820 105.820 107.703 -1.883 19395 2167 1 4 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.911 0.131 19395 2168 1 4 . 1 1 62 62 GLY H H 62 7.742 7.742 7.544 0.198 19395 2169 1 4 . 1 1 63 63 ILE N N 63 123.074 123.074 119.602 3.472 19395 2170 1 4 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.081 0.257 19395 2171 1 4 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.221 -0.691 19395 2172 1 4 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.276 -0.758 19395 2173 1 4 . 1 1 63 63 ILE H H 63 7.870 7.870 7.732 0.138 19395 2174 1 4 . 1 1 64 64 THR N N 64 123.510 123.510 122.649 0.861 19395 2175 1 4 . 1 1 64 64 THR HA H 64 4.316 4.316 4.297 0.019 19395 2176 1 4 . 1 1 64 64 THR CA C 64 63.015 63.015 62.764 0.251 19395 2177 1 4 . 1 1 64 64 THR CB C 64 70.376 70.376 69.299 1.077 19395 2178 1 4 . 1 1 64 64 THR H H 64 8.200 8.200 8.673 -0.473 19395 2179 1 4 . 1 1 65 65 VAL N N 65 128.299 128.299 127.842 0.457 19395 2180 1 4 . 1 1 65 65 VAL HA H 65 5.048 5.048 3.983 1.065 19395 2181 1 4 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.435 -1.388 19395 2182 1 4 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.368 0.749 19395 2183 1 4 . 1 1 65 65 VAL H H 65 8.919 8.919 8.675 0.244 19395 2184 1 4 . 1 1 66 66 VAL N N 66 129.962 129.962 129.685 0.277 19395 2185 1 4 . 1 1 66 66 VAL HA H 66 3.927 3.927 3.925 0.002 19395 2186 1 4 . 1 1 66 66 VAL CA C 66 60.683 60.683 61.336 -0.652 19395 2187 1 4 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.253 2.367 19395 2188 1 4 . 1 1 66 66 VAL H H 66 9.145 9.145 8.005 1.140 19395 2189 1 4 . 1 1 67 67 ASP N N 67 126.437 126.437 123.978 2.459 19395 2190 1 4 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.651 0.668 19395 2191 1 4 . 1 1 67 67 ASP CA C 67 54.170 54.170 51.890 2.280 19395 2192 1 4 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.194 1.877 19395 2193 1 4 . 1 1 67 67 ASP H H 67 8.099 8.099 7.107 0.992 19395 2194 1 4 . 1 1 68 68 TRP N N 68 125.863 125.863 121.319 4.544 19395 2195 1 4 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.878 0.662 19395 2196 1 4 . 1 1 68 68 TRP CA C 68 51.631 51.631 54.061 -2.430 19395 2197 1 4 . 1 1 68 68 TRP CB C 68 30.303 30.303 31.962 -1.659 19395 2198 1 4 . 1 1 68 68 TRP H H 68 8.305 8.305 7.504 0.801 19395 2199 1 4 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.581 -0.596 19395 2200 1 4 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.160 -0.216 19395 2201 1 4 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.358 1.186 19395 2202 1 4 . 1 1 70 70 PHE N N 70 113.153 113.153 118.413 -5.260 19395 2203 1 4 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.298 0.462 19395 2204 1 4 . 1 1 70 70 PHE CA C 70 56.067 56.067 59.568 -3.501 19395 2205 1 4 . 1 1 70 70 PHE CB C 70 39.334 39.334 38.905 0.429 19395 2206 1 4 . 1 1 70 70 PHE H H 70 7.237 7.237 8.560 -1.323 19395 2207 1 4 . 1 1 71 71 ASP N N 71 120.632 120.632 117.299 3.333 19395 2208 1 4 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.773 -0.491 19395 2209 1 4 . 1 1 71 71 ASP CA C 71 55.907 55.907 53.723 2.184 19395 2210 1 4 . 1 1 71 71 ASP CB C 71 41.099 41.099 43.462 -2.363 19395 2211 1 4 . 1 1 71 71 ASP H H 71 8.514 8.514 7.797 0.717 19395 2212 1 4 . 1 1 73 73 GLY H H 73 8.510 8.510 8.179 0.331 19395 2213 1 4 . 1 1 74 74 ALA N N 74 123.138 123.138 122.039 1.099 19395 2214 1 4 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.774 0.066 19395 2215 1 4 . 1 1 74 74 ALA CA C 74 50.106 50.106 49.763 0.343 19395 2216 1 4 . 1 1 74 74 ALA CB C 74 20.264 20.264 20.320 -0.056 19395 2217 1 4 . 1 1 74 74 ALA H H 74 7.833 7.833 7.992 -0.159 19395 2218 1 4 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.519 -0.063 19395 2219 1 4 . 1 1 79 79 LYS N N 79 119.944 119.944 118.634 1.310 19395 2220 1 4 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.365 -0.425 19395 2221 1 4 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.253 1.571 19395 2222 1 4 . 1 1 79 79 LYS CB C 79 32.310 32.310 33.048 -0.738 19395 2223 1 4 . 1 1 79 79 LYS H H 79 8.425 8.425 7.429 0.996 19395 2224 1 4 . 1 1 80 80 VAL N N 80 116.231 116.231 119.560 -3.329 19395 2225 1 4 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.780 -0.385 19395 2226 1 4 . 1 1 80 80 VAL CA C 80 64.913 64.913 64.909 0.004 19395 2227 1 4 . 1 1 80 80 VAL CB C 80 31.293 31.293 30.798 0.495 19395 2228 1 4 . 1 1 80 80 VAL H H 80 6.338 6.338 7.759 -1.421 19395 2229 1 4 . 1 1 81 81 VAL N N 81 118.082 118.082 115.949 2.133 19395 2230 1 4 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.649 -0.464 19395 2231 1 4 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.511 2.113 19395 2232 1 4 . 1 1 81 81 VAL CB C 81 31.645 31.645 31.109 0.536 19395 2233 1 4 . 1 1 81 81 VAL H H 81 7.362 7.362 8.001 -0.639 19395 2234 1 4 . 1 1 82 82 GLU N N 82 117.196 117.196 120.838 -3.642 19395 2235 1 4 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.850 0.086 19395 2236 1 4 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.879 -0.385 19395 2237 1 4 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.113 0.338 19395 2238 1 4 . 1 1 82 82 GLU H H 82 7.878 7.878 8.094 -0.216 19395 2239 1 4 . 1 1 83 83 ASP N N 83 121.828 121.828 119.293 2.535 19395 2240 1 4 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.015 0.224 19395 2241 1 4 . 1 1 83 83 ASP CA C 83 57.279 57.279 55.925 1.354 19395 2242 1 4 . 1 1 83 83 ASP CB C 83 38.149 38.149 38.972 -0.823 19395 2243 1 4 . 1 1 83 83 ASP H H 83 8.156 8.156 7.485 0.671 19395 2244 1 4 . 1 1 84 84 TRP N N 84 124.374 124.374 121.717 2.657 19395 2245 1 4 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.177 0.747 19395 2246 1 4 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.693 -0.671 19395 2247 1 4 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.758 0.052 19395 2248 1 4 . 1 1 84 84 TRP H H 84 8.939 8.939 8.114 0.825 19395 2249 1 4 . 1 1 85 85 LEU N N 85 117.918 117.918 116.845 1.073 19395 2250 1 4 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.040 -0.280 19395 2251 1 4 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.110 0.888 19395 2252 1 4 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.316 1.012 19395 2253 1 4 . 1 1 85 85 LEU H H 85 8.723 8.723 8.037 0.686 19395 2254 1 4 . 1 1 86 86 SER N N 86 114.182 114.182 115.136 -0.954 19395 2255 1 4 . 1 1 86 86 SER HA H 86 4.187 4.187 4.130 0.057 19395 2256 1 4 . 1 1 86 86 SER CA C 86 61.997 61.997 61.754 0.243 19395 2257 1 4 . 1 1 86 86 SER CB C 86 62.984 62.984 63.292 -0.308 19395 2258 1 4 . 1 1 86 86 SER H H 86 8.067 8.067 7.953 0.114 19395 2259 1 4 . 1 1 87 87 LEU N N 87 125.441 125.441 122.772 2.669 19395 2260 1 4 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.092 0.118 19395 2261 1 4 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.204 0.733 19395 2262 1 4 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.719 0.860 19395 2263 1 4 . 1 1 87 87 LEU H H 87 8.300 8.300 8.316 -0.016 19395 2264 1 4 . 1 1 88 88 VAL N N 88 116.784 116.784 119.252 -2.468 19395 2265 1 4 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.667 -0.601 19395 2266 1 4 . 1 1 88 88 VAL CA C 88 66.385 66.385 67.299 -0.913 19395 2267 1 4 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.405 -0.641 19395 2268 1 4 . 1 1 88 88 VAL H H 88 8.468 8.468 7.892 0.576 19395 2269 1 4 . 1 1 89 89 LYS N N 89 118.569 118.569 118.635 -0.066 19395 2270 1 4 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.348 -0.323 19395 2271 1 4 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.901 0.575 19395 2272 1 4 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.411 0.445 19395 2273 1 4 . 1 1 89 89 LYS H H 89 7.652 7.652 8.551 -0.899 19395 2274 1 4 . 1 1 90 90 ALA N N 90 119.043 119.043 121.709 -2.666 19395 2275 1 4 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.277 -0.126 19395 2276 1 4 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.983 1.062 19395 2277 1 4 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.645 -1.191 19395 2278 1 4 . 1 1 90 90 ALA H H 90 7.616 7.616 7.885 -0.269 19395 2279 1 4 . 1 1 91 91 LYS N N 91 117.654 117.654 120.497 -2.843 19395 2280 1 4 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.893 0.044 19395 2281 1 4 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.175 -1.421 19395 2282 1 4 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.931 -1.768 19395 2283 1 4 . 1 1 91 91 LYS H H 91 8.658 8.658 8.637 0.021 19395 2284 1 4 . 1 1 92 92 PHE N N 92 113.471 113.471 118.496 -5.025 19395 2285 1 4 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.424 0.195 19395 2286 1 4 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.026 -0.431 19395 2287 1 4 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.111 -1.427 19395 2288 1 4 . 1 1 92 92 PHE H H 92 7.472 7.472 8.406 -0.934 19395 2289 1 4 . 1 1 93 93 CYS N N 93 117.138 117.138 119.371 -2.233 19395 2290 1 4 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.780 0.583 19395 2291 1 4 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.631 2.333 19395 2292 1 4 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.434 0.044 19395 2293 1 4 . 1 1 93 93 CYS H H 93 7.562 7.562 7.616 -0.054 19395 2294 1 4 . 1 1 94 94 GLU N N 94 118.594 118.594 119.998 -1.404 19395 2295 1 4 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.314 -0.187 19395 2296 1 4 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.471 1.570 19395 2297 1 4 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.254 -0.181 19395 2298 1 4 . 1 1 94 94 GLU H H 94 8.236 8.236 8.341 -0.105 19395 2299 1 4 . 1 1 95 95 ALA N N 95 121.081 121.081 123.240 -2.159 19395 2300 1 4 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.737 0.140 19395 2301 1 4 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.193 0.176 19395 2302 1 4 . 1 1 95 95 ALA CB C 95 18.124 18.124 20.550 -2.426 19395 2303 1 4 . 1 1 95 95 ALA H H 95 7.898 7.898 7.984 -0.086 19395 2304 1 4 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.378 0.445 19395 2305 1 4 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.375 0.592 19395 2306 1 4 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.420 1.136 19395 2307 1 4 . 1 1 97 97 GLY N N 97 113.478 113.478 113.411 0.067 19395 2308 1 4 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.780 -0.081 19395 2309 1 4 . 1 1 97 97 GLY H H 97 9.198 9.198 8.247 0.951 19395 2310 1 4 . 1 1 98 98 SER N N 98 115.643 115.643 114.582 1.061 19395 2311 1 4 . 1 1 98 98 SER HA H 98 4.560 4.560 4.268 0.292 19395 2312 1 4 . 1 1 98 98 SER CA C 98 58.923 58.923 60.239 -1.316 19395 2313 1 4 . 1 1 98 98 SER CB C 98 64.427 64.427 64.212 0.215 19395 2314 1 4 . 1 1 98 98 SER H H 98 8.066 8.066 8.052 0.014 19395 2315 1 4 . 1 1 99 99 CYS N N 99 115.484 115.484 117.336 -1.852 19395 2316 1 4 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.088 0.309 19395 2317 1 4 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.363 -1.576 19395 2318 1 4 . 1 1 99 99 CYS CB C 99 29.985 29.985 30.927 -0.942 19395 2319 1 4 . 1 1 99 99 CYS H H 99 7.532 7.532 7.837 -0.305 19395 2320 1 4 . 1 1 100 100 VAL N N 100 128.065 128.065 117.206 10.859 19395 2321 1 4 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.230 0.078 19395 2322 1 4 . 1 1 100 100 VAL CA C 100 61.631 61.631 60.148 1.483 19395 2323 1 4 . 1 1 100 100 VAL CB C 100 34.384 34.384 31.957 2.427 19395 2324 1 4 . 1 1 100 100 VAL H H 100 8.392 8.392 8.166 0.226 19395 2325 1 4 . 1 1 101 101 ALA N N 101 130.346 130.346 130.016 0.330 19395 2326 1 4 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.902 0.858 19395 2327 1 4 . 1 1 101 101 ALA CA C 101 50.101 50.101 51.497 -1.396 19395 2328 1 4 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.229 1.889 19395 2329 1 4 . 1 1 101 101 ALA H H 101 8.882 8.882 8.143 0.739 19395 2330 1 4 . 1 1 102 102 VAL N N 102 120.866 120.866 117.537 3.329 19395 2331 1 4 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.600 1.023 19395 2332 1 4 . 1 1 102 102 VAL CA C 102 58.795 58.795 60.284 -1.489 19395 2333 1 4 . 1 1 102 102 VAL CB C 102 35.140 35.140 36.384 -1.244 19395 2334 1 4 . 1 1 102 102 VAL H H 102 9.359 9.359 8.837 0.522 19395 2335 1 4 . 1 1 103 103 HIS N N 103 120.019 120.019 123.701 -3.682 19395 2336 1 4 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.819 -0.036 19395 2337 1 4 . 1 1 103 103 HIS CA C 103 55.292 55.292 56.748 -1.456 19395 2338 1 4 . 1 1 103 103 HIS CB C 103 33.032 33.032 29.569 3.463 19395 2339 1 4 . 1 1 103 103 HIS H H 103 8.749 8.749 8.530 0.219 19395 2340 1 4 . 1 1 104 104 CYS N N 104 118.175 118.175 124.404 -6.229 19395 2341 1 4 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.751 -0.054 19395 2342 1 4 . 1 1 104 104 CYS CA C 104 56.265 56.265 56.885 -0.620 19395 2343 1 4 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.985 2.194 19395 2344 1 4 . 1 1 104 104 CYS H H 104 8.428 8.428 8.243 0.185 19395 2345 1 4 . 1 1 105 105 VAL N N 105 125.962 125.962 120.970 4.992 19395 2346 1 4 . 1 1 105 105 VAL HA H 105 4.219 4.219 4.244 -0.025 19395 2347 1 4 . 1 1 105 105 VAL CA C 105 66.483 66.483 62.260 4.223 19395 2348 1 4 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.184 0.199 19395 2349 1 4 . 1 1 105 105 VAL H H 105 8.422 8.422 8.109 0.313 19395 2350 1 4 . 1 1 106 106 ALA N N 106 123.180 123.180 122.288 0.892 19395 2351 1 4 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.225 0.470 19395 2352 1 4 . 1 1 106 106 ALA CA C 106 52.862 52.862 54.241 -1.379 19395 2353 1 4 . 1 1 106 106 ALA CB C 106 20.123 20.123 18.894 1.229 19395 2354 1 4 . 1 1 106 106 ALA H H 106 9.997 9.997 8.427 1.570 19395 2355 1 4 . 1 1 107 107 GLY N N 107 109.076 109.076 105.089 3.987 19395 2356 1 4 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.643 1.976 19395 2357 1 4 . 1 1 107 107 GLY H H 107 8.019 8.019 7.773 0.246 19395 2358 1 4 . 1 1 108 108 LEU N N 108 117.413 117.413 123.149 -5.736 19395 2359 1 4 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.781 0.683 19395 2360 1 4 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.310 0.472 19395 2361 1 4 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.737 4.083 19395 2362 1 4 . 1 1 108 108 LEU H H 108 7.598 7.598 8.360 -0.762 19395 2363 1 4 . 1 1 109 109 GLY N N 109 111.143 111.143 107.323 3.820 19395 2364 1 4 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.594 0.047 19395 2365 1 4 . 1 1 109 109 GLY H H 109 10.576 10.576 8.799 1.777 19395 2366 1 4 . 1 1 110 110 ARG N N 110 127.464 127.464 123.980 3.484 19395 2367 1 4 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.827 -0.272 19395 2368 1 4 . 1 1 110 110 ARG CA C 110 60.426 60.426 58.546 1.880 19395 2369 1 4 . 1 1 110 110 ARG CB C 110 32.183 32.183 28.845 3.338 19395 2370 1 4 . 1 1 110 110 ARG H H 110 10.234 10.234 8.421 1.813 19395 2371 1 4 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.242 -0.358 19395 2372 1 4 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.517 1.015 19395 2373 1 4 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.557 -0.648 19395 2374 1 4 . 1 1 113 113 VAL N N 113 116.720 116.720 119.212 -2.492 19395 2375 1 4 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.593 -0.033 19395 2376 1 4 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.963 -0.233 19395 2377 1 4 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.122 -0.599 19395 2378 1 4 . 1 1 113 113 VAL H H 113 8.340 8.340 8.534 -0.194 19395 2379 1 4 . 1 1 114 114 LEU N N 114 119.045 119.045 119.495 -0.450 19395 2380 1 4 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.212 -0.554 19395 2381 1 4 . 1 1 114 114 LEU CA C 114 58.030 58.030 57.940 0.090 19395 2382 1 4 . 1 1 114 114 LEU CB C 114 38.799 38.799 40.655 -1.856 19395 2383 1 4 . 1 1 114 114 LEU H H 114 6.990 6.990 8.533 -1.543 19395 2384 1 4 . 1 1 115 115 VAL N N 115 120.270 120.270 119.099 1.171 19395 2385 1 4 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.513 -0.470 19395 2386 1 4 . 1 1 115 115 VAL CA C 115 67.509 67.509 65.434 2.075 19395 2387 1 4 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.069 -0.282 19395 2388 1 4 . 1 1 115 115 VAL H H 115 7.188 7.188 7.860 -0.672 19395 2389 1 4 . 1 1 116 116 ALA N N 116 121.280 121.280 122.318 -1.038 19395 2390 1 4 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.084 -0.323 19395 2391 1 4 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.275 0.582 19395 2392 1 4 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.371 -0.503 19395 2393 1 4 . 1 1 116 116 ALA H H 116 8.649 8.649 8.480 0.169 19395 2394 1 4 . 1 1 117 117 LEU N N 117 116.557 116.557 120.578 -4.021 19395 2395 1 4 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.891 -0.123 19395 2396 1 4 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.675 0.685 19395 2397 1 4 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.845 2.222 19395 2398 1 4 . 1 1 117 117 LEU H H 117 8.048 8.048 7.534 0.514 19395 2399 1 4 . 1 1 118 118 ALA N N 118 119.916 119.916 120.210 -0.294 19395 2400 1 4 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.531 0.538 19395 2401 1 4 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.300 1.065 19395 2402 1 4 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.215 1.412 19395 2403 1 4 . 1 1 118 118 ALA H H 118 7.691 7.691 6.780 0.911 19395 2404 1 4 . 1 1 119 119 LEU N N 119 116.962 116.962 119.680 -2.718 19395 2405 1 4 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.076 -0.201 19395 2406 1 4 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.545 0.880 19395 2407 1 4 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.604 -1.819 19395 2408 1 4 . 1 1 119 119 LEU H H 119 7.988 7.988 7.592 0.396 19395 2409 1 4 . 1 1 120 120 ILE N N 120 123.209 123.209 119.319 3.890 19395 2410 1 4 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.984 0.765 19395 2411 1 4 . 1 1 120 120 ILE CA C 120 64.104 64.104 63.645 0.459 19395 2412 1 4 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.611 1.631 19395 2413 1 4 . 1 1 120 120 ILE H H 120 8.643 8.643 7.942 0.701 19395 2414 1 4 . 1 1 121 121 GLU N N 121 121.219 121.219 119.164 2.055 19395 2415 1 4 . 1 1 121 121 GLU HA H 121 4.508 4.508 3.974 0.534 19395 2416 1 4 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.234 -0.095 19395 2417 1 4 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.903 0.330 19395 2418 1 4 . 1 1 121 121 GLU H H 121 8.680 8.680 7.816 0.864 19395 2419 1 4 . 1 1 122 122 SER N N 122 114.306 114.306 112.466 1.840 19395 2420 1 4 . 1 1 122 122 SER HA H 122 4.783 4.783 4.309 0.474 19395 2421 1 4 . 1 1 122 122 SER CA C 122 58.581 58.581 59.944 -1.363 19395 2422 1 4 . 1 1 122 122 SER CB C 122 64.656 64.656 63.872 0.784 19395 2423 1 4 . 1 1 122 122 SER H H 122 7.834 7.834 7.819 0.015 19395 2424 1 4 . 1 1 123 123 GLY N N 123 108.666 108.666 109.219 -0.553 19395 2425 1 4 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.575 0.505 19395 2426 1 4 . 1 1 123 123 GLY H H 123 7.902 7.902 7.925 -0.023 19395 2427 1 4 . 1 1 124 124 MET N N 124 123.358 123.358 119.828 3.530 19395 2428 1 4 . 1 1 124 124 MET HA H 124 4.258 4.258 4.713 -0.455 19395 2429 1 4 . 1 1 124 124 MET CA C 124 56.698 56.698 53.589 3.109 19395 2430 1 4 . 1 1 124 124 MET CB C 124 34.104 34.104 35.519 -1.415 19395 2431 1 4 . 1 1 124 124 MET H H 124 7.970 7.970 7.551 0.419 19395 2432 1 4 . 1 1 125 125 LYS N N 125 125.848 125.848 123.492 2.356 19395 2433 1 4 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.436 -0.142 19395 2434 1 4 . 1 1 125 125 LYS CA C 125 56.909 56.909 55.244 1.665 19395 2435 1 4 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.258 0.479 19395 2436 1 4 . 1 1 125 125 LYS H H 125 8.903 8.903 8.540 0.363 19395 2437 1 4 . 1 1 126 126 TYR N N 126 124.016 124.016 128.055 -4.039 19395 2438 1 4 . 1 1 126 126 TYR HA H 126 4.060 4.060 4.001 0.059 19395 2439 1 4 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.505 -0.771 19395 2440 1 4 . 1 1 126 126 TYR CB C 126 37.942 37.942 38.054 -0.112 19395 2441 1 4 . 1 1 126 126 TYR H H 126 9.242 9.242 9.084 0.158 19395 2442 1 4 . 1 1 127 127 GLU N N 127 119.702 119.702 117.986 1.716 19395 2443 1 4 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.285 0.108 19395 2444 1 4 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.547 0.668 19395 2445 1 4 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.641 0.344 19395 2446 1 4 . 1 1 127 127 GLU H H 127 9.102 9.102 8.581 0.521 19395 2447 1 4 . 1 1 128 128 ASP N N 128 118.661 118.661 119.454 -0.793 19395 2448 1 4 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.344 0.067 19395 2449 1 4 . 1 1 128 128 ASP CA C 128 56.574 56.574 56.851 -0.277 19395 2450 1 4 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.430 -0.324 19395 2451 1 4 . 1 1 128 128 ASP H H 128 6.782 6.782 8.072 -1.290 19395 2452 1 4 . 1 1 129 129 ALA N N 129 125.068 125.068 122.310 2.758 19395 2453 1 4 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.017 0.210 19395 2454 1 4 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.252 0.160 19395 2455 1 4 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.446 -0.134 19395 2456 1 4 . 1 1 129 129 ALA H H 129 8.365 8.365 8.332 0.033 19395 2457 1 4 . 1 1 130 130 ILE N N 130 115.533 115.533 119.436 -3.903 19395 2458 1 4 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.661 -0.170 19395 2459 1 4 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.904 1.212 19395 2460 1 4 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.426 0.360 19395 2461 1 4 . 1 1 130 130 ILE H H 130 8.044 8.044 8.032 0.012 19395 2462 1 4 . 1 1 131 131 GLN N N 131 118.503 118.503 118.033 0.470 19395 2463 1 4 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.991 0.025 19395 2464 1 4 . 1 1 131 131 GLN CA C 131 58.791 58.791 58.458 0.333 19395 2465 1 4 . 1 1 131 131 GLN CB C 131 28.439 28.439 27.937 0.502 19395 2466 1 4 . 1 1 131 131 GLN H H 131 7.426 7.426 8.063 -0.637 19395 2467 1 4 . 1 1 132 132 PHE N N 132 120.679 120.679 121.331 -0.652 19395 2468 1 4 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.262 0.061 19395 2469 1 4 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.540 -0.365 19395 2470 1 4 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.075 0.775 19395 2471 1 4 . 1 1 132 132 PHE H H 132 8.416 8.416 7.785 0.631 19395 2472 1 4 . 1 1 133 133 ILE N N 133 116.466 116.466 116.324 0.142 19395 2473 1 4 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.565 -0.076 19395 2474 1 4 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.247 -0.250 19395 2475 1 4 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.752 -0.191 19395 2476 1 4 . 1 1 133 133 ILE H H 133 7.964 7.964 8.204 -0.240 19395 2477 1 4 . 1 1 134 134 ARG N N 134 119.204 119.204 119.205 -0.001 19395 2478 1 4 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.385 -0.063 19395 2479 1 4 . 1 1 134 134 ARG CA C 134 59.160 59.160 57.753 1.407 19395 2480 1 4 . 1 1 134 134 ARG CB C 134 30.212 30.212 31.343 -1.131 19395 2481 1 4 . 1 1 134 134 ARG H H 134 8.449 8.449 8.157 0.292 19395 2482 1 4 . 1 1 135 135 GLN N N 135 117.511 117.511 119.053 -1.542 19395 2483 1 4 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.088 -0.051 19395 2484 1 4 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.266 0.071 19395 2485 1 4 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.614 -0.175 19395 2486 1 4 . 1 1 135 135 GLN H H 135 7.829 7.829 8.206 -0.377 19395 2487 1 4 . 1 1 136 136 LYS N N 136 116.364 116.364 116.215 0.149 19395 2488 1 4 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.236 0.058 19395 2489 1 4 . 1 1 136 136 LYS CA C 136 56.209 56.209 56.178 0.031 19395 2490 1 4 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.808 0.171 19395 2491 1 4 . 1 1 136 136 LYS H H 136 7.280 7.280 7.720 -0.440 19395 2492 1 4 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.804 -0.959 19395 2493 1 4 . 1 1 140 140 ALA N N 140 121.841 121.841 121.723 0.118 19395 2494 1 4 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.053 0.303 19395 2495 1 4 . 1 1 140 140 ALA CA C 140 53.327 53.327 54.527 -1.200 19395 2496 1 4 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.349 0.225 19395 2497 1 4 . 1 1 140 140 ALA H H 140 7.553 7.553 7.508 0.045 19395 2498 1 4 . 1 1 141 141 ILE N N 141 113.228 113.228 116.790 -3.562 19395 2499 1 4 . 1 1 141 141 ILE HA H 141 3.338 3.338 3.935 -0.597 19395 2500 1 4 . 1 1 141 141 ILE CA C 141 65.889 65.889 61.970 3.919 19395 2501 1 4 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.733 -4.545 19395 2502 1 4 . 1 1 141 141 ILE H H 141 8.744 8.744 8.198 0.546 19395 2503 1 4 . 1 1 142 142 ASN N N 142 126.808 126.808 115.277 11.531 19395 2504 1 4 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.468 0.255 19395 2505 1 4 . 1 1 142 142 ASN CA C 142 52.083 52.083 53.847 -1.764 19395 2506 1 4 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.712 -0.782 19395 2507 1 4 . 1 1 142 142 ASN H H 142 8.538 8.538 7.860 0.678 19395 2508 1 4 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.932 0.235 19395 2509 1 4 . 1 1 145 145 GLN N N 145 120.931 120.931 117.471 3.460 19395 2510 1 4 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.097 -0.362 19395 2511 1 4 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.084 0.750 19395 2512 1 4 . 1 1 145 145 GLN CB C 145 27.803 27.803 28.488 -0.686 19395 2513 1 4 . 1 1 145 145 GLN H H 145 8.737 8.737 8.016 0.721 19395 2514 1 4 . 1 1 146 146 LEU N N 146 122.433 122.433 121.313 1.120 19395 2515 1 4 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.196 -0.221 19395 2516 1 4 . 1 1 146 146 LEU CA C 146 59.013 59.013 59.189 -0.176 19395 2517 1 4 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.993 -0.197 19395 2518 1 4 . 1 1 146 146 LEU H H 146 8.917 8.917 8.414 0.503 19395 2519 1 4 . 1 1 147 147 THR N N 147 115.378 115.378 112.677 2.701 19395 2520 1 4 . 1 1 147 147 THR HA H 147 3.936 3.936 3.936 -0.000 19395 2521 1 4 . 1 1 147 147 THR CA C 147 66.512 66.512 65.529 0.983 19395 2522 1 4 . 1 1 147 147 THR CB C 147 68.865 68.865 68.374 0.491 19395 2523 1 4 . 1 1 147 147 THR H H 147 7.948 7.948 8.506 -0.558 19395 2524 1 4 . 1 1 148 148 TYR N N 148 120.402 120.402 123.271 -2.869 19395 2525 1 4 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.134 -0.052 19395 2526 1 4 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.344 -0.150 19395 2527 1 4 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.288 -0.311 19395 2528 1 4 . 1 1 148 148 TYR H H 148 7.366 7.366 7.703 -0.337 19395 2529 1 4 . 1 1 149 149 LEU N N 149 119.957 119.957 118.912 1.045 19395 2530 1 4 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.653 0.075 19395 2531 1 4 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.199 1.342 19395 2532 1 4 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.703 1.859 19395 2533 1 4 . 1 1 149 149 LEU H H 149 7.968 7.968 7.641 0.327 19395 2534 1 4 . 1 1 150 150 GLU N N 150 120.132 120.132 117.390 2.742 19395 2535 1 4 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.496 -1.113 19395 2536 1 4 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.644 -0.182 19395 2537 1 4 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.501 0.080 19395 2538 1 4 . 1 1 150 150 GLU H H 150 8.305 8.305 7.239 1.066 19395 2539 1 4 . 1 1 151 151 LYS N N 151 114.600 114.600 115.433 -0.833 19395 2540 1 4 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.191 -0.120 19395 2541 1 4 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.656 -1.024 19395 2542 1 4 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.386 -0.439 19395 2543 1 4 . 1 1 151 151 LYS H H 151 7.106 7.106 7.324 -0.218 19395 2544 1 4 . 1 1 152 152 TYR N N 152 123.664 123.664 121.521 2.143 19395 2545 1 4 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.140 -0.365 19395 2546 1 4 . 1 1 152 152 TYR CA C 152 59.659 59.659 58.989 0.670 19395 2547 1 4 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.815 -0.570 19395 2548 1 4 . 1 1 152 152 TYR H H 152 7.187 7.187 7.352 -0.165 19395 2549 1 4 . 1 1 153 153 ARG N N 153 130.321 130.321 126.482 3.839 19395 2550 1 4 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.608 0.157 19395 2551 1 4 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.975 -0.462 19395 2552 1 4 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.784 -1.604 19395 2553 1 4 . 1 1 153 153 ARG H H 153 7.760 7.760 8.009 -0.249 19395 2554 1 4 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.918 -0.278 19395 2555 1 4 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.674 -0.619 19395 2556 1 4 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.126 1.477 19395 2557 1 4 . 1 1 155 155 LYS N N 155 122.066 122.066 123.272 -1.206 19395 2558 1 4 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.174 0.264 19395 2559 1 4 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.189 -0.266 19395 2560 1 4 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.132 1.311 19395 2561 1 4 . 1 1 155 155 LYS H H 155 9.586 9.586 8.429 1.157 19395 2562 1 4 . 1 1 156 156 GLN N N 156 117.702 117.702 114.687 3.015 19395 2563 1 4 . 1 1 156 156 GLN HA H 156 4.366 4.366 3.846 0.520 19395 2564 1 4 . 1 1 156 156 GLN CA C 156 56.549 56.549 56.631 -0.082 19395 2565 1 4 . 1 1 156 156 GLN CB C 156 26.728 26.728 25.816 0.912 19395 2566 1 4 . 1 1 156 156 GLN H H 156 8.334 8.334 8.021 0.313 19395 2567 1 4 . 1 1 157 157 ARG N N 157 117.466 117.466 119.655 -2.189 19395 2568 1 4 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.300 -0.145 19395 2569 1 4 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.028 0.994 19395 2570 1 4 . 1 1 157 157 ARG CB C 157 30.769 30.769 30.908 -0.139 19395 2571 1 4 . 1 1 157 157 ARG H H 157 8.983 8.983 8.546 0.437 19395 2572 1 4 . 1 1 158 158 LEU N N 158 117.973 117.973 118.629 -0.656 19395 2573 1 4 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.190 0.439 19395 2574 1 4 . 1 1 158 158 LEU CA C 158 53.469 53.469 57.257 -3.788 19395 2575 1 4 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.510 -1.005 19395 2576 1 4 . 1 1 158 158 LEU H H 158 8.123 8.123 7.890 0.233 19395 2577 1 4 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.629 -0.516 19395 2578 1 4 . 1 1 161 161 LYS CA C 161 56.487 56.487 55.513 0.974 19395 2579 1 4 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.217 -1.043 19395 2580 1 4 . 1 1 161 161 LYS H H 161 7.856 7.856 8.420 -0.564 19395 2581 1 5 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.456 -0.109 19395 2582 1 5 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.692 -0.154 19395 2583 1 5 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.692 -0.900 19395 2584 1 5 . 1 1 8 8 ALA N N 8 126.708 126.708 127.649 -0.941 19395 2585 1 5 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.953 -0.342 19395 2586 1 5 . 1 1 8 8 ALA CA C 8 50.308 50.308 48.946 1.362 19395 2587 1 5 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.230 -1.025 19395 2588 1 5 . 1 1 8 8 ALA H H 8 8.399 8.399 8.343 0.056 19395 2589 1 5 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.184 0.467 19395 2590 1 5 . 1 1 9 9 PRO CA C 9 62.583 62.583 61.934 0.649 19395 2591 1 5 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.344 0.167 19395 2592 1 5 . 1 1 10 10 VAL N N 10 118.581 118.581 119.872 -1.291 19395 2593 1 5 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.251 0.050 19395 2594 1 5 . 1 1 10 10 VAL CA C 10 60.833 60.833 60.845 -0.012 19395 2595 1 5 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.193 0.484 19395 2596 1 5 . 1 1 10 10 VAL H H 10 8.025 8.025 7.878 0.147 19395 2597 1 5 . 1 1 11 11 GLU N N 11 129.673 129.673 129.583 0.090 19395 2598 1 5 . 1 1 11 11 GLU HA H 11 5.085 5.085 4.968 0.117 19395 2599 1 5 . 1 1 11 11 GLU CA C 11 54.747 54.747 54.925 -0.178 19395 2600 1 5 . 1 1 11 11 GLU CB C 11 32.129 32.129 30.856 1.273 19395 2601 1 5 . 1 1 11 11 GLU H H 11 8.723 8.723 8.778 -0.055 19395 2602 1 5 . 1 1 12 12 VAL N N 12 127.093 127.093 127.533 -0.440 19395 2603 1 5 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.480 -0.197 19395 2604 1 5 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.268 1.328 19395 2605 1 5 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.389 1.157 19395 2606 1 5 . 1 1 12 12 VAL H H 12 9.247 9.247 9.001 0.246 19395 2607 1 5 . 1 1 13 13 SER N N 13 123.385 123.385 125.481 -2.096 19395 2608 1 5 . 1 1 13 13 SER HA H 13 5.302 5.302 4.820 0.482 19395 2609 1 5 . 1 1 13 13 SER CA C 13 56.409 56.409 58.452 -2.043 19395 2610 1 5 . 1 1 13 13 SER CB C 13 64.981 64.981 63.435 1.546 19395 2611 1 5 . 1 1 13 13 SER H H 13 9.001 9.001 8.482 0.519 19395 2612 1 5 . 1 1 14 14 TYR N N 14 124.413 124.413 127.761 -3.348 19395 2613 1 5 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.581 -0.044 19395 2614 1 5 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.539 0.694 19395 2615 1 5 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.968 1.611 19395 2616 1 5 . 1 1 14 14 TYR H H 14 8.347 8.347 8.862 -0.515 19395 2617 1 5 . 1 1 15 15 LYS N N 15 125.130 125.130 120.294 4.836 19395 2618 1 5 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.953 -0.554 19395 2619 1 5 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.644 -0.270 19395 2620 1 5 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.190 -2.296 19395 2621 1 5 . 1 1 15 15 LYS H H 15 8.820 8.820 8.425 0.395 19395 2622 1 5 . 1 1 16 16 HIS N N 16 121.278 121.278 118.066 3.212 19395 2623 1 5 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.706 -0.256 19395 2624 1 5 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.228 1.510 19395 2625 1 5 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.932 0.297 19395 2626 1 5 . 1 1 16 16 HIS H H 16 8.784 8.784 8.110 0.674 19395 2627 1 5 . 1 1 17 17 MET N N 17 120.113 120.113 115.132 4.981 19395 2628 1 5 . 1 1 17 17 MET HA H 17 2.326 2.326 4.769 -2.443 19395 2629 1 5 . 1 1 17 17 MET CA C 17 54.714 54.714 55.188 -0.474 19395 2630 1 5 . 1 1 17 17 MET CB C 17 34.848 34.848 35.312 -0.464 19395 2631 1 5 . 1 1 17 17 MET H H 17 8.106 8.106 7.415 0.691 19395 2632 1 5 . 1 1 18 18 ARG N N 18 121.252 121.252 120.842 0.410 19395 2633 1 5 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.272 -0.433 19395 2634 1 5 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.519 0.275 19395 2635 1 5 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.322 0.494 19395 2636 1 5 . 1 1 18 18 ARG H H 18 5.904 5.904 8.588 -2.684 19395 2637 1 5 . 1 1 19 19 PHE N N 19 121.195 121.195 123.011 -1.816 19395 2638 1 5 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.430 0.570 19395 2639 1 5 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.181 0.437 19395 2640 1 5 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.065 0.551 19395 2641 1 5 . 1 1 19 19 PHE H H 19 9.178 9.178 9.312 -0.134 19395 2642 1 5 . 1 1 20 20 LEU N N 20 123.804 123.804 121.657 2.147 19395 2643 1 5 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.148 -0.038 19395 2644 1 5 . 1 1 20 20 LEU CA C 20 52.568 52.568 54.083 -1.515 19395 2645 1 5 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.592 2.291 19395 2646 1 5 . 1 1 20 20 LEU H H 20 8.601 8.601 9.356 -0.755 19395 2647 1 5 . 1 1 21 21 ILE N N 21 126.661 126.661 123.148 3.513 19395 2648 1 5 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.194 -0.063 19395 2649 1 5 . 1 1 21 21 ILE CA C 21 60.828 60.828 58.270 2.558 19395 2650 1 5 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.116 1.093 19395 2651 1 5 . 1 1 21 21 ILE H H 21 9.323 9.323 9.095 0.228 19395 2652 1 5 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.469 -0.140 19395 2653 1 5 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.122 -1.304 19395 2654 1 5 . 1 1 25 25 PRO CB C 25 32.524 32.524 30.349 2.175 19395 2655 1 5 . 1 1 26 26 THR N N 26 131.812 131.812 116.269 15.543 19395 2656 1 5 . 1 1 26 26 THR H H 26 6.781 6.781 8.145 -1.364 19395 2657 1 5 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.075 0.269 19395 2658 1 5 . 1 1 28 28 ALA CA C 28 54.021 54.021 54.298 -0.277 19395 2659 1 5 . 1 1 28 28 ALA CB C 28 19.183 19.183 18.793 0.390 19395 2660 1 5 . 1 1 29 29 THR N N 29 104.375 104.375 109.437 -5.062 19395 2661 1 5 . 1 1 29 29 THR HA H 29 4.847 4.847 4.373 0.474 19395 2662 1 5 . 1 1 29 29 THR CA C 29 60.370 60.370 61.091 -0.721 19395 2663 1 5 . 1 1 29 29 THR CB C 29 69.135 69.135 69.517 -0.382 19395 2664 1 5 . 1 1 29 29 THR H H 29 7.642 7.642 7.921 -0.279 19395 2665 1 5 . 1 1 30 30 LEU N N 30 124.383 124.383 120.646 3.737 19395 2666 1 5 . 1 1 30 30 LEU HA H 30 4.013 4.013 4.017 -0.004 19395 2667 1 5 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.077 0.634 19395 2668 1 5 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.896 1.458 19395 2669 1 5 . 1 1 30 30 LEU H H 30 7.356 7.356 8.086 -0.730 19395 2670 1 5 . 1 1 31 31 SER N N 31 111.792 111.792 115.345 -3.553 19395 2671 1 5 . 1 1 31 31 SER H H 31 6.915 6.915 8.375 -1.460 19395 2672 1 5 . 1 1 32 32 THR N N 32 116.374 116.374 117.438 -1.064 19395 2673 1 5 . 1 1 32 32 THR HA H 32 4.109 4.109 4.034 0.075 19395 2674 1 5 . 1 1 32 32 THR CA C 32 65.142 65.142 66.606 -1.464 19395 2675 1 5 . 1 1 32 32 THR CB C 32 68.628 68.628 68.572 0.056 19395 2676 1 5 . 1 1 32 32 THR H H 32 7.589 7.589 8.302 -0.713 19395 2677 1 5 . 1 1 33 33 PHE N N 33 124.790 124.790 123.055 1.735 19395 2678 1 5 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.096 0.379 19395 2679 1 5 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.715 0.335 19395 2680 1 5 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.364 1.475 19395 2681 1 5 . 1 1 33 33 PHE H H 33 7.644 7.644 8.000 -0.356 19395 2682 1 5 . 1 1 34 34 ILE N N 34 117.776 117.776 118.809 -1.033 19395 2683 1 5 . 1 1 34 34 ILE HA H 34 3.347 3.347 2.896 0.451 19395 2684 1 5 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.315 1.707 19395 2685 1 5 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.380 -5.734 19395 2686 1 5 . 1 1 34 34 ILE H H 34 8.535 8.535 8.631 -0.096 19395 2687 1 5 . 1 1 35 35 GLU N N 35 119.202 119.202 118.837 0.365 19395 2688 1 5 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.890 0.037 19395 2689 1 5 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.599 0.146 19395 2690 1 5 . 1 1 35 35 GLU CB C 35 29.375 29.375 28.989 0.386 19395 2691 1 5 . 1 1 35 35 GLU H H 35 7.512 7.512 7.678 -0.166 19395 2692 1 5 . 1 1 36 36 ASP N N 36 121.117 121.117 120.912 0.205 19395 2693 1 5 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.495 0.059 19395 2694 1 5 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.154 0.784 19395 2695 1 5 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.760 -0.641 19395 2696 1 5 . 1 1 36 36 ASP H H 36 8.049 8.049 7.881 0.168 19395 2697 1 5 . 1 1 37 37 LEU N N 37 119.257 119.257 116.578 2.679 19395 2698 1 5 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.210 -0.457 19395 2699 1 5 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.587 0.915 19395 2700 1 5 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.157 -1.197 19395 2701 1 5 . 1 1 37 37 LEU H H 37 8.016 8.016 7.465 0.551 19395 2702 1 5 . 1 1 38 38 LYS N N 38 117.743 117.743 119.582 -1.839 19395 2703 1 5 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.146 -0.048 19395 2704 1 5 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.128 0.176 19395 2705 1 5 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.928 -0.660 19395 2706 1 5 . 1 1 38 38 LYS H H 38 8.336 8.336 7.927 0.409 19395 2707 1 5 . 1 1 39 39 LYS N N 39 122.164 122.164 118.155 4.009 19395 2708 1 5 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.069 0.087 19395 2709 1 5 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.853 0.580 19395 2710 1 5 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.071 0.340 19395 2711 1 5 . 1 1 39 39 LYS H H 39 8.113 8.113 8.127 -0.014 19395 2712 1 5 . 1 1 40 40 TYR N N 40 114.347 114.347 119.029 -4.682 19395 2713 1 5 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.303 0.092 19395 2714 1 5 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.530 0.120 19395 2715 1 5 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.564 1.132 19395 2716 1 5 . 1 1 40 40 TYR H H 40 7.626 7.626 7.962 -0.336 19395 2717 1 5 . 1 1 41 41 GLY N N 41 109.921 109.921 104.812 5.109 19395 2718 1 5 . 1 1 41 41 GLY CA C 41 46.766 46.766 44.888 1.878 19395 2719 1 5 . 1 1 41 41 GLY H H 41 7.878 7.878 7.496 0.382 19395 2720 1 5 . 1 1 42 42 ALA N N 42 123.757 123.757 123.107 0.650 19395 2721 1 5 . 1 1 42 42 ALA HA H 42 5.158 5.158 4.993 0.165 19395 2722 1 5 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.738 0.400 19395 2723 1 5 . 1 1 42 42 ALA CB C 42 19.909 19.909 20.712 -0.803 19395 2724 1 5 . 1 1 42 42 ALA H H 42 8.544 8.544 8.082 0.462 19395 2725 1 5 . 1 1 43 43 THR N N 43 109.574 109.574 114.709 -5.135 19395 2726 1 5 . 1 1 43 43 THR HA H 43 4.479 4.479 4.381 0.098 19395 2727 1 5 . 1 1 43 43 THR CA C 43 61.144 61.144 61.714 -0.570 19395 2728 1 5 . 1 1 43 43 THR CB C 43 69.180 69.180 68.160 1.020 19395 2729 1 5 . 1 1 43 43 THR H H 43 7.969 7.969 8.382 -0.413 19395 2730 1 5 . 1 1 44 44 THR N N 44 118.101 118.101 116.419 1.682 19395 2731 1 5 . 1 1 44 44 THR HA H 44 5.226 5.226 5.110 0.116 19395 2732 1 5 . 1 1 44 44 THR CA C 44 62.061 62.061 61.067 0.994 19395 2733 1 5 . 1 1 44 44 THR CB C 44 72.595 72.595 71.911 0.684 19395 2734 1 5 . 1 1 44 44 THR H H 44 7.458 7.458 7.353 0.105 19395 2735 1 5 . 1 1 45 45 VAL N N 45 127.571 127.571 123.402 4.169 19395 2736 1 5 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.431 0.271 19395 2737 1 5 . 1 1 45 45 VAL CA C 45 60.504 60.504 60.832 -0.328 19395 2738 1 5 . 1 1 45 45 VAL CB C 45 35.182 35.182 33.485 1.697 19395 2739 1 5 . 1 1 45 45 VAL H H 45 9.398 9.398 8.908 0.490 19395 2740 1 5 . 1 1 46 46 VAL N N 46 129.011 129.011 122.013 6.998 19395 2741 1 5 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.091 0.239 19395 2742 1 5 . 1 1 46 46 VAL CA C 46 61.517 61.517 60.849 0.668 19395 2743 1 5 . 1 1 46 46 VAL CB C 46 32.232 32.232 30.223 2.009 19395 2744 1 5 . 1 1 46 46 VAL H H 46 9.342 9.342 8.854 0.488 19395 2745 1 5 . 1 1 47 47 ARG N N 47 129.852 129.852 123.833 6.019 19395 2746 1 5 . 1 1 47 47 ARG HA H 47 4.295 4.295 3.958 0.337 19395 2747 1 5 . 1 1 47 47 ARG CA C 47 56.019 56.019 56.711 -0.692 19395 2748 1 5 . 1 1 47 47 ARG CB C 47 30.817 30.817 27.701 3.116 19395 2749 1 5 . 1 1 47 47 ARG H H 47 9.037 9.037 8.104 0.933 19395 2750 1 5 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.771 -0.837 19395 2751 1 5 . 1 1 49 49 CYS CA C 49 55.688 55.688 58.050 -2.362 19395 2752 1 5 . 1 1 49 49 CYS CB C 49 41.121 41.121 29.968 11.153 19395 2753 1 5 . 1 1 50 50 GLU N N 50 114.931 114.931 120.512 -5.581 19395 2754 1 5 . 1 1 50 50 GLU HA H 50 4.086 4.086 3.945 0.141 19395 2755 1 5 . 1 1 50 50 GLU CA C 50 56.300 56.300 57.776 -1.476 19395 2756 1 5 . 1 1 50 50 GLU CB C 50 29.445 29.445 28.559 0.886 19395 2757 1 5 . 1 1 50 50 GLU H H 50 8.669 8.669 8.603 0.066 19395 2758 1 5 . 1 1 51 51 VAL N N 51 122.453 122.453 113.547 8.906 19395 2759 1 5 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.259 -0.838 19395 2760 1 5 . 1 1 51 51 VAL CA C 51 64.120 64.120 61.906 2.214 19395 2761 1 5 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.450 -0.420 19395 2762 1 5 . 1 1 51 51 VAL H H 51 8.356 8.356 7.511 0.845 19395 2763 1 5 . 1 1 52 52 THR N N 52 118.382 118.382 115.381 3.001 19395 2764 1 5 . 1 1 52 52 THR HA H 52 4.525 4.525 4.413 0.112 19395 2765 1 5 . 1 1 52 52 THR CA C 52 61.197 61.197 60.868 0.329 19395 2766 1 5 . 1 1 52 52 THR CB C 52 69.429 69.429 69.221 0.209 19395 2767 1 5 . 1 1 52 52 THR H H 52 8.936 8.936 8.226 0.710 19395 2768 1 5 . 1 1 53 53 TYR N N 53 116.747 116.747 123.226 -6.479 19395 2769 1 5 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.436 0.326 19395 2770 1 5 . 1 1 53 53 TYR CA C 53 55.653 55.653 58.355 -2.702 19395 2771 1 5 . 1 1 53 53 TYR CB C 53 39.833 39.833 39.140 0.693 19395 2772 1 5 . 1 1 53 53 TYR H H 53 7.040 7.040 7.745 -0.705 19395 2773 1 5 . 1 1 54 54 ASP N N 54 123.720 123.720 126.085 -2.365 19395 2774 1 5 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.338 0.170 19395 2775 1 5 . 1 1 54 54 ASP CA C 54 53.571 53.571 54.249 -0.678 19395 2776 1 5 . 1 1 54 54 ASP CB C 54 41.364 41.364 41.348 0.016 19395 2777 1 5 . 1 1 54 54 ASP H H 54 9.280 9.280 8.106 1.174 19395 2778 1 5 . 1 1 55 55 LYS N N 55 121.455 121.455 123.682 -2.227 19395 2779 1 5 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.360 0.159 19395 2780 1 5 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.650 0.294 19395 2781 1 5 . 1 1 55 55 LYS CB C 55 32.940 32.940 32.390 0.550 19395 2782 1 5 . 1 1 55 55 LYS H H 55 8.497 8.497 8.220 0.277 19395 2783 1 5 . 1 1 56 56 THR N N 56 120.743 120.743 118.932 1.811 19395 2784 1 5 . 1 1 56 56 THR HA H 56 4.120 4.120 4.577 -0.458 19395 2785 1 5 . 1 1 56 56 THR CA C 56 68.652 68.652 63.274 5.378 19395 2786 1 5 . 1 1 56 56 THR CB C 56 66.508 66.508 67.911 -1.403 19395 2787 1 5 . 1 1 56 56 THR H H 56 8.701 8.701 8.583 0.118 19395 2788 1 5 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.451 -0.160 19395 2789 1 5 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.502 0.331 19395 2790 1 5 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.188 0.202 19395 2791 1 5 . 1 1 58 58 LEU N N 58 116.313 116.313 117.659 -1.346 19395 2792 1 5 . 1 1 58 58 LEU HA H 58 4.054 4.054 3.982 0.072 19395 2793 1 5 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.448 1.694 19395 2794 1 5 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.335 0.019 19395 2795 1 5 . 1 1 58 58 LEU H H 58 7.170 7.170 8.481 -1.311 19395 2796 1 5 . 1 1 59 59 GLU N N 59 120.470 120.470 119.859 0.611 19395 2797 1 5 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.048 0.343 19395 2798 1 5 . 1 1 59 59 GLU CA C 59 59.104 59.104 59.438 -0.334 19395 2799 1 5 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.465 -0.139 19395 2800 1 5 . 1 1 59 59 GLU H H 59 7.794 7.794 8.448 -0.654 19395 2801 1 5 . 1 1 60 60 LYS N N 60 119.911 119.911 119.241 0.670 19395 2802 1 5 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.153 -0.045 19395 2803 1 5 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.968 0.587 19395 2804 1 5 . 1 1 60 60 LYS CB C 60 32.063 32.063 31.846 0.217 19395 2805 1 5 . 1 1 60 60 LYS H H 60 8.246 8.246 7.691 0.555 19395 2806 1 5 . 1 1 61 61 ASP N N 61 119.142 119.142 117.391 1.751 19395 2807 1 5 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.668 0.302 19395 2808 1 5 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.261 -0.482 19395 2809 1 5 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.933 0.954 19395 2810 1 5 . 1 1 61 61 ASP H H 61 7.235 7.235 7.638 -0.403 19395 2811 1 5 . 1 1 62 62 GLY N N 62 105.820 105.820 107.396 -1.576 19395 2812 1 5 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.555 0.487 19395 2813 1 5 . 1 1 62 62 GLY H H 62 7.742 7.742 7.586 0.156 19395 2814 1 5 . 1 1 63 63 ILE N N 63 123.074 123.074 119.912 3.162 19395 2815 1 5 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.357 -0.019 19395 2816 1 5 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.023 -0.492 19395 2817 1 5 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.916 -1.398 19395 2818 1 5 . 1 1 63 63 ILE H H 63 7.870 7.870 7.932 -0.062 19395 2819 1 5 . 1 1 64 64 THR N N 64 123.510 123.510 121.279 2.231 19395 2820 1 5 . 1 1 64 64 THR HA H 64 4.316 4.316 4.553 -0.237 19395 2821 1 5 . 1 1 64 64 THR CA C 64 63.015 63.015 61.886 1.129 19395 2822 1 5 . 1 1 64 64 THR CB C 64 70.376 70.376 70.130 0.245 19395 2823 1 5 . 1 1 64 64 THR H H 64 8.200 8.200 8.750 -0.550 19395 2824 1 5 . 1 1 65 65 VAL N N 65 128.299 128.299 126.430 1.869 19395 2825 1 5 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.073 0.975 19395 2826 1 5 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.370 -1.323 19395 2827 1 5 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.245 0.872 19395 2828 1 5 . 1 1 65 65 VAL H H 65 8.919 8.919 8.650 0.269 19395 2829 1 5 . 1 1 66 66 VAL N N 66 129.962 129.962 129.875 0.087 19395 2830 1 5 . 1 1 66 66 VAL HA H 66 3.927 3.927 4.215 -0.288 19395 2831 1 5 . 1 1 66 66 VAL CA C 66 60.683 60.683 60.993 -0.310 19395 2832 1 5 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.622 1.998 19395 2833 1 5 . 1 1 66 66 VAL H H 66 9.145 9.145 7.879 1.266 19395 2834 1 5 . 1 1 67 67 ASP N N 67 126.437 126.437 125.382 1.055 19395 2835 1 5 . 1 1 67 67 ASP HA H 67 5.319 5.319 5.026 0.293 19395 2836 1 5 . 1 1 67 67 ASP CA C 67 54.170 54.170 52.077 2.094 19395 2837 1 5 . 1 1 67 67 ASP CB C 67 43.071 43.071 42.988 0.083 19395 2838 1 5 . 1 1 67 67 ASP H H 67 8.099 8.099 7.828 0.271 19395 2839 1 5 . 1 1 68 68 TRP N N 68 125.863 125.863 123.009 2.854 19395 2840 1 5 . 1 1 68 68 TRP HA H 68 5.540 5.540 5.155 0.385 19395 2841 1 5 . 1 1 68 68 TRP CA C 68 51.631 51.631 53.084 -1.452 19395 2842 1 5 . 1 1 68 68 TRP CB C 68 30.303 30.303 29.481 0.822 19395 2843 1 5 . 1 1 68 68 TRP H H 68 8.305 8.305 7.794 0.511 19395 2844 1 5 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.522 -0.537 19395 2845 1 5 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.139 -0.196 19395 2846 1 5 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.610 0.934 19395 2847 1 5 . 1 1 70 70 PHE N N 70 113.153 113.153 118.849 -5.696 19395 2848 1 5 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.403 0.357 19395 2849 1 5 . 1 1 70 70 PHE CA C 70 56.067 56.067 59.110 -3.043 19395 2850 1 5 . 1 1 70 70 PHE CB C 70 39.334 39.334 38.943 0.391 19395 2851 1 5 . 1 1 70 70 PHE H H 70 7.237 7.237 7.669 -0.432 19395 2852 1 5 . 1 1 71 71 ASP N N 71 120.632 120.632 122.688 -2.056 19395 2853 1 5 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.569 -0.287 19395 2854 1 5 . 1 1 71 71 ASP CA C 71 55.907 55.907 55.013 0.894 19395 2855 1 5 . 1 1 71 71 ASP CB C 71 41.099 41.099 39.374 1.725 19395 2856 1 5 . 1 1 71 71 ASP H H 71 8.514 8.514 7.954 0.560 19395 2857 1 5 . 1 1 73 73 GLY H H 73 8.510 8.510 7.947 0.563 19395 2858 1 5 . 1 1 74 74 ALA N N 74 123.138 123.138 123.824 -0.686 19395 2859 1 5 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.809 0.031 19395 2860 1 5 . 1 1 74 74 ALA CA C 74 50.106 50.106 49.924 0.182 19395 2861 1 5 . 1 1 74 74 ALA CB C 74 20.264 20.264 19.296 0.968 19395 2862 1 5 . 1 1 74 74 ALA H H 74 7.833 7.833 7.767 0.066 19395 2863 1 5 . 1 1 75 75 PRO CB C 75 31.456 31.456 30.642 0.814 19395 2864 1 5 . 1 1 79 79 LYS N N 79 119.944 119.944 121.983 -2.039 19395 2865 1 5 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.464 -0.524 19395 2866 1 5 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.736 1.088 19395 2867 1 5 . 1 1 79 79 LYS CB C 79 32.310 32.310 33.365 -1.055 19395 2868 1 5 . 1 1 79 79 LYS H H 79 8.425 8.425 7.622 0.803 19395 2869 1 5 . 1 1 80 80 VAL N N 80 116.231 116.231 119.876 -3.645 19395 2870 1 5 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.570 -0.175 19395 2871 1 5 . 1 1 80 80 VAL CA C 80 64.913 64.913 66.419 -1.506 19395 2872 1 5 . 1 1 80 80 VAL CB C 80 31.293 31.293 31.749 -0.456 19395 2873 1 5 . 1 1 80 80 VAL H H 80 6.338 6.338 8.021 -1.683 19395 2874 1 5 . 1 1 81 81 VAL N N 81 118.082 118.082 114.827 3.255 19395 2875 1 5 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.626 -0.441 19395 2876 1 5 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.484 2.140 19395 2877 1 5 . 1 1 81 81 VAL CB C 81 31.645 31.645 31.104 0.541 19395 2878 1 5 . 1 1 81 81 VAL H H 81 7.362 7.362 8.027 -0.665 19395 2879 1 5 . 1 1 82 82 GLU N N 82 117.196 117.196 119.981 -2.785 19395 2880 1 5 . 1 1 82 82 GLU HA H 82 3.936 3.936 4.049 -0.113 19395 2881 1 5 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.925 -0.431 19395 2882 1 5 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.206 0.245 19395 2883 1 5 . 1 1 82 82 GLU H H 82 7.878 7.878 7.756 0.122 19395 2884 1 5 . 1 1 83 83 ASP N N 83 121.828 121.828 120.423 1.405 19395 2885 1 5 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.531 -0.292 19395 2886 1 5 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.944 0.334 19395 2887 1 5 . 1 1 83 83 ASP CB C 83 38.149 38.149 40.766 -2.616 19395 2888 1 5 . 1 1 83 83 ASP H H 83 8.156 8.156 7.662 0.494 19395 2889 1 5 . 1 1 84 84 TRP N N 84 124.374 124.374 121.834 2.540 19395 2890 1 5 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.298 0.626 19395 2891 1 5 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.697 -0.674 19395 2892 1 5 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.854 -0.044 19395 2893 1 5 . 1 1 84 84 TRP H H 84 8.939 8.939 8.313 0.626 19395 2894 1 5 . 1 1 85 85 LEU N N 85 117.918 117.918 117.987 -0.069 19395 2895 1 5 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.020 -0.260 19395 2896 1 5 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.781 0.217 19395 2897 1 5 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.560 0.769 19395 2898 1 5 . 1 1 85 85 LEU H H 85 8.723 8.723 8.334 0.389 19395 2899 1 5 . 1 1 86 86 SER N N 86 114.182 114.182 115.021 -0.839 19395 2900 1 5 . 1 1 86 86 SER HA H 86 4.187 4.187 4.197 -0.010 19395 2901 1 5 . 1 1 86 86 SER CA C 86 61.997 61.997 61.463 0.534 19395 2902 1 5 . 1 1 86 86 SER CB C 86 62.984 62.984 63.167 -0.183 19395 2903 1 5 . 1 1 86 86 SER H H 86 8.067 8.067 8.110 -0.043 19395 2904 1 5 . 1 1 87 87 LEU N N 87 125.441 125.441 123.178 2.263 19395 2905 1 5 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.084 0.126 19395 2906 1 5 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.338 0.599 19395 2907 1 5 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.322 1.256 19395 2908 1 5 . 1 1 87 87 LEU H H 87 8.300 8.300 7.774 0.526 19395 2909 1 5 . 1 1 88 88 VAL N N 88 116.784 116.784 119.134 -2.350 19395 2910 1 5 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.710 -0.644 19395 2911 1 5 . 1 1 88 88 VAL CA C 88 66.385 66.385 67.031 -0.646 19395 2912 1 5 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.437 -0.673 19395 2913 1 5 . 1 1 88 88 VAL H H 88 8.468 8.468 7.928 0.540 19395 2914 1 5 . 1 1 89 89 LYS N N 89 118.569 118.569 118.847 -0.278 19395 2915 1 5 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.316 -0.291 19395 2916 1 5 . 1 1 89 89 LYS CA C 89 59.476 59.476 59.056 0.420 19395 2917 1 5 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.361 0.495 19395 2918 1 5 . 1 1 89 89 LYS H H 89 7.652 7.652 8.377 -0.725 19395 2919 1 5 . 1 1 90 90 ALA N N 90 119.043 119.043 121.572 -2.529 19395 2920 1 5 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.284 -0.133 19395 2921 1 5 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.991 1.054 19395 2922 1 5 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.347 -0.893 19395 2923 1 5 . 1 1 90 90 ALA H H 90 7.616 7.616 7.942 -0.326 19395 2924 1 5 . 1 1 91 91 LYS N N 91 117.654 117.654 120.163 -2.509 19395 2925 1 5 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.923 0.014 19395 2926 1 5 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.064 -1.310 19395 2927 1 5 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.895 -1.732 19395 2928 1 5 . 1 1 91 91 LYS H H 91 8.658 8.658 8.165 0.493 19395 2929 1 5 . 1 1 92 92 PHE N N 92 113.471 113.471 118.472 -5.001 19395 2930 1 5 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.341 0.278 19395 2931 1 5 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.331 -0.736 19395 2932 1 5 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.114 -1.429 19395 2933 1 5 . 1 1 92 92 PHE H H 92 7.472 7.472 8.409 -0.937 19395 2934 1 5 . 1 1 93 93 CYS N N 93 117.138 117.138 119.053 -1.915 19395 2935 1 5 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.757 0.606 19395 2936 1 5 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.620 2.344 19395 2937 1 5 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.334 0.144 19395 2938 1 5 . 1 1 93 93 CYS H H 93 7.562 7.562 7.582 -0.020 19395 2939 1 5 . 1 1 94 94 GLU N N 94 118.594 118.594 120.453 -1.859 19395 2940 1 5 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.286 -0.159 19395 2941 1 5 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.592 1.449 19395 2942 1 5 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.127 -0.054 19395 2943 1 5 . 1 1 94 94 GLU H H 94 8.236 8.236 8.324 -0.088 19395 2944 1 5 . 1 1 95 95 ALA N N 95 121.081 121.081 122.937 -1.856 19395 2945 1 5 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.726 0.151 19395 2946 1 5 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.167 0.202 19395 2947 1 5 . 1 1 95 95 ALA CB C 95 18.124 18.124 20.562 -2.438 19395 2948 1 5 . 1 1 95 95 ALA H H 95 7.898 7.898 7.810 0.088 19395 2949 1 5 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.373 0.450 19395 2950 1 5 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.389 0.578 19395 2951 1 5 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.482 1.074 19395 2952 1 5 . 1 1 97 97 GLY N N 97 113.478 113.478 113.125 0.353 19395 2953 1 5 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.802 -0.103 19395 2954 1 5 . 1 1 97 97 GLY H H 97 9.198 9.198 8.194 1.004 19395 2955 1 5 . 1 1 98 98 SER N N 98 115.643 115.643 114.805 0.838 19395 2956 1 5 . 1 1 98 98 SER HA H 98 4.560 4.560 4.272 0.288 19395 2957 1 5 . 1 1 98 98 SER CA C 98 58.923 58.923 60.253 -1.330 19395 2958 1 5 . 1 1 98 98 SER CB C 98 64.427 64.427 64.276 0.151 19395 2959 1 5 . 1 1 98 98 SER H H 98 8.066 8.066 7.854 0.212 19395 2960 1 5 . 1 1 99 99 CYS N N 99 115.484 115.484 116.263 -0.779 19395 2961 1 5 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.264 0.133 19395 2962 1 5 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.587 -1.800 19395 2963 1 5 . 1 1 99 99 CYS CB C 99 29.985 29.985 31.920 -1.935 19395 2964 1 5 . 1 1 99 99 CYS H H 99 7.532 7.532 8.277 -0.745 19395 2965 1 5 . 1 1 100 100 VAL N N 100 128.065 128.065 118.727 9.338 19395 2966 1 5 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.369 -0.061 19395 2967 1 5 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.343 2.288 19395 2968 1 5 . 1 1 100 100 VAL CB C 100 34.384 34.384 34.431 -0.047 19395 2969 1 5 . 1 1 100 100 VAL H H 100 8.392 8.392 8.500 -0.108 19395 2970 1 5 . 1 1 101 101 ALA N N 101 130.346 130.346 130.560 -0.214 19395 2971 1 5 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.627 1.133 19395 2972 1 5 . 1 1 101 101 ALA CA C 101 50.101 50.101 50.532 -0.431 19395 2973 1 5 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.478 1.640 19395 2974 1 5 . 1 1 101 101 ALA H H 101 8.882 8.882 8.316 0.566 19395 2975 1 5 . 1 1 102 102 VAL N N 102 120.866 120.866 118.842 2.024 19395 2976 1 5 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.230 1.393 19395 2977 1 5 . 1 1 102 102 VAL CA C 102 58.795 58.795 60.353 -1.558 19395 2978 1 5 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.472 -0.333 19395 2979 1 5 . 1 1 102 102 VAL H H 102 9.359 9.359 8.564 0.795 19395 2980 1 5 . 1 1 103 103 HIS N N 103 120.019 120.019 121.724 -1.705 19395 2981 1 5 . 1 1 103 103 HIS HA H 103 4.783 4.783 5.080 -0.297 19395 2982 1 5 . 1 1 103 103 HIS CA C 103 55.292 55.292 54.947 0.345 19395 2983 1 5 . 1 1 103 103 HIS CB C 103 33.032 33.032 32.503 0.529 19395 2984 1 5 . 1 1 103 103 HIS H H 103 8.749 8.749 8.485 0.264 19395 2985 1 5 . 1 1 104 104 CYS N N 104 118.175 118.175 117.369 0.806 19395 2986 1 5 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.773 -0.076 19395 2987 1 5 . 1 1 104 104 CYS CA C 104 56.265 56.265 58.026 -1.761 19395 2988 1 5 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.769 2.410 19395 2989 1 5 . 1 1 104 104 CYS H H 104 8.428 8.428 8.890 -0.462 19395 2990 1 5 . 1 1 105 105 VAL N N 105 125.962 125.962 123.526 2.436 19395 2991 1 5 . 1 1 105 105 VAL HA H 105 4.219 4.219 3.780 0.439 19395 2992 1 5 . 1 1 105 105 VAL CA C 105 66.483 66.483 64.907 1.576 19395 2993 1 5 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.338 0.045 19395 2994 1 5 . 1 1 105 105 VAL H H 105 8.422 8.422 8.765 -0.343 19395 2995 1 5 . 1 1 106 106 ALA N N 106 123.180 123.180 119.607 3.573 19395 2996 1 5 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.445 0.250 19395 2997 1 5 . 1 1 106 106 ALA CA C 106 52.862 52.862 52.461 0.401 19395 2998 1 5 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.776 0.347 19395 2999 1 5 . 1 1 106 106 ALA H H 106 9.997 9.997 8.309 1.688 19395 3000 1 5 . 1 1 107 107 GLY N N 107 109.076 109.076 106.625 2.451 19395 3001 1 5 . 1 1 107 107 GLY CA C 107 46.619 46.619 45.203 1.416 19395 3002 1 5 . 1 1 107 107 GLY H H 107 8.019 8.019 7.862 0.157 19395 3003 1 5 . 1 1 108 108 LEU N N 108 117.413 117.413 123.321 -5.908 19395 3004 1 5 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.779 0.685 19395 3005 1 5 . 1 1 108 108 LEU CA C 108 55.782 55.782 57.626 -1.844 19395 3006 1 5 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.225 4.595 19395 3007 1 5 . 1 1 108 108 LEU H H 108 7.598 7.598 8.330 -0.732 19395 3008 1 5 . 1 1 109 109 GLY N N 109 111.143 111.143 103.197 7.946 19395 3009 1 5 . 1 1 109 109 GLY CA C 109 47.641 47.641 45.953 1.688 19395 3010 1 5 . 1 1 109 109 GLY H H 109 10.576 10.576 8.047 2.529 19395 3011 1 5 . 1 1 110 110 ARG N N 110 127.464 127.464 122.991 4.473 19395 3012 1 5 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.662 -0.107 19395 3013 1 5 . 1 1 110 110 ARG CA C 110 60.426 60.426 59.102 1.324 19395 3014 1 5 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.342 2.841 19395 3015 1 5 . 1 1 110 110 ARG H H 110 10.234 10.234 8.376 1.858 19395 3016 1 5 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.254 -0.370 19395 3017 1 5 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.509 1.023 19395 3018 1 5 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.634 -0.725 19395 3019 1 5 . 1 1 113 113 VAL N N 113 116.720 116.720 119.600 -2.880 19395 3020 1 5 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.531 0.029 19395 3021 1 5 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.766 -0.036 19395 3022 1 5 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.695 -1.172 19395 3023 1 5 . 1 1 113 113 VAL H H 113 8.340 8.340 8.474 -0.134 19395 3024 1 5 . 1 1 114 114 LEU N N 114 119.045 119.045 119.248 -0.203 19395 3025 1 5 . 1 1 114 114 LEU HA H 114 3.658 3.658 3.895 -0.237 19395 3026 1 5 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.321 -0.291 19395 3027 1 5 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.799 -3.000 19395 3028 1 5 . 1 1 114 114 LEU H H 114 6.990 6.990 8.112 -1.122 19395 3029 1 5 . 1 1 115 115 VAL N N 115 120.270 120.270 115.722 4.548 19395 3030 1 5 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.356 -0.313 19395 3031 1 5 . 1 1 115 115 VAL CA C 115 67.509 67.509 66.233 1.276 19395 3032 1 5 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.315 -0.528 19395 3033 1 5 . 1 1 115 115 VAL H H 115 7.188 7.188 7.641 -0.453 19395 3034 1 5 . 1 1 116 116 ALA N N 116 121.280 121.280 122.791 -1.511 19395 3035 1 5 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.072 -0.311 19395 3036 1 5 . 1 1 116 116 ALA CA C 116 55.857 55.857 54.871 0.986 19395 3037 1 5 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.541 -0.673 19395 3038 1 5 . 1 1 116 116 ALA H H 116 8.649 8.649 8.171 0.478 19395 3039 1 5 . 1 1 117 117 LEU N N 117 116.557 116.557 120.473 -3.916 19395 3040 1 5 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.842 -0.074 19395 3041 1 5 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.741 0.619 19395 3042 1 5 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.773 2.294 19395 3043 1 5 . 1 1 117 117 LEU H H 117 8.048 8.048 7.400 0.648 19395 3044 1 5 . 1 1 118 118 ALA N N 118 119.916 119.916 119.899 0.017 19395 3045 1 5 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.553 0.516 19395 3046 1 5 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.273 1.091 19395 3047 1 5 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.441 1.187 19395 3048 1 5 . 1 1 118 118 ALA H H 118 7.691 7.691 6.616 1.075 19395 3049 1 5 . 1 1 119 119 LEU N N 119 116.962 116.962 120.249 -3.287 19395 3050 1 5 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.030 -0.155 19395 3051 1 5 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.930 0.495 19395 3052 1 5 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.694 -1.909 19395 3053 1 5 . 1 1 119 119 LEU H H 119 7.988 7.988 7.416 0.572 19395 3054 1 5 . 1 1 120 120 ILE N N 120 123.209 123.209 119.843 3.366 19395 3055 1 5 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.878 0.871 19395 3056 1 5 . 1 1 120 120 ILE CA C 120 64.104 64.104 64.530 -0.426 19395 3057 1 5 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.542 1.700 19395 3058 1 5 . 1 1 120 120 ILE H H 120 8.643 8.643 8.281 0.362 19395 3059 1 5 . 1 1 121 121 GLU N N 121 121.219 121.219 118.625 2.594 19395 3060 1 5 . 1 1 121 121 GLU HA H 121 4.508 4.508 3.979 0.529 19395 3061 1 5 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.200 -0.061 19395 3062 1 5 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.846 0.387 19395 3063 1 5 . 1 1 121 121 GLU H H 121 8.680 8.680 7.794 0.886 19395 3064 1 5 . 1 1 122 122 SER N N 122 114.306 114.306 112.272 2.034 19395 3065 1 5 . 1 1 122 122 SER HA H 122 4.783 4.783 4.214 0.569 19395 3066 1 5 . 1 1 122 122 SER CA C 122 58.581 58.581 60.771 -2.190 19395 3067 1 5 . 1 1 122 122 SER CB C 122 64.656 64.656 63.907 0.749 19395 3068 1 5 . 1 1 122 122 SER H H 122 7.834 7.834 7.896 -0.062 19395 3069 1 5 . 1 1 123 123 GLY N N 123 108.666 108.666 109.500 -0.834 19395 3070 1 5 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.481 0.599 19395 3071 1 5 . 1 1 123 123 GLY H H 123 7.902 7.902 7.847 0.055 19395 3072 1 5 . 1 1 124 124 MET N N 124 123.358 123.358 119.976 3.382 19395 3073 1 5 . 1 1 124 124 MET HA H 124 4.258 4.258 4.599 -0.341 19395 3074 1 5 . 1 1 124 124 MET CA C 124 56.698 56.698 53.567 3.131 19395 3075 1 5 . 1 1 124 124 MET CB C 124 34.104 34.104 35.480 -1.376 19395 3076 1 5 . 1 1 124 124 MET H H 124 7.970 7.970 7.372 0.598 19395 3077 1 5 . 1 1 125 125 LYS N N 125 125.848 125.848 124.079 1.769 19395 3078 1 5 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.356 -0.062 19395 3079 1 5 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.457 0.452 19395 3080 1 5 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.062 0.675 19395 3081 1 5 . 1 1 125 125 LYS H H 125 8.903 8.903 8.411 0.492 19395 3082 1 5 . 1 1 126 126 TYR N N 126 124.016 124.016 128.102 -4.086 19395 3083 1 5 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.918 0.142 19395 3084 1 5 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.517 -0.783 19395 3085 1 5 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.757 0.185 19395 3086 1 5 . 1 1 126 126 TYR H H 126 9.242 9.242 9.140 0.102 19395 3087 1 5 . 1 1 127 127 GLU N N 127 119.702 119.702 118.040 1.662 19395 3088 1 5 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.159 0.234 19395 3089 1 5 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.530 0.685 19395 3090 1 5 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.522 0.463 19395 3091 1 5 . 1 1 127 127 GLU H H 127 9.102 9.102 8.645 0.457 19395 3092 1 5 . 1 1 128 128 ASP N N 128 118.661 118.661 119.220 -0.559 19395 3093 1 5 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.319 0.092 19395 3094 1 5 . 1 1 128 128 ASP CA C 128 56.574 56.574 56.908 -0.334 19395 3095 1 5 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.562 -0.456 19395 3096 1 5 . 1 1 128 128 ASP H H 128 6.782 6.782 8.027 -1.245 19395 3097 1 5 . 1 1 129 129 ALA N N 129 125.068 125.068 122.592 2.476 19395 3098 1 5 . 1 1 129 129 ALA HA H 129 4.227 4.227 3.968 0.259 19395 3099 1 5 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.238 0.174 19395 3100 1 5 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.381 -0.069 19395 3101 1 5 . 1 1 129 129 ALA H H 129 8.365 8.365 8.385 -0.020 19395 3102 1 5 . 1 1 130 130 ILE N N 130 115.533 115.533 119.215 -3.682 19395 3103 1 5 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.635 -0.144 19395 3104 1 5 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.803 1.313 19395 3105 1 5 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.246 0.540 19395 3106 1 5 . 1 1 130 130 ILE H H 130 8.044 8.044 8.366 -0.322 19395 3107 1 5 . 1 1 131 131 GLN N N 131 118.503 118.503 117.716 0.787 19395 3108 1 5 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.955 0.061 19395 3109 1 5 . 1 1 131 131 GLN CA C 131 58.791 58.791 58.435 0.356 19395 3110 1 5 . 1 1 131 131 GLN CB C 131 28.439 28.439 27.972 0.467 19395 3111 1 5 . 1 1 131 131 GLN H H 131 7.426 7.426 8.125 -0.699 19395 3112 1 5 . 1 1 132 132 PHE N N 132 120.679 120.679 121.528 -0.849 19395 3113 1 5 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.229 0.094 19395 3114 1 5 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.474 -0.299 19395 3115 1 5 . 1 1 132 132 PHE CB C 132 39.850 39.850 38.946 0.904 19395 3116 1 5 . 1 1 132 132 PHE H H 132 8.416 8.416 7.833 0.583 19395 3117 1 5 . 1 1 133 133 ILE N N 133 116.466 116.466 115.286 1.180 19395 3118 1 5 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.594 -0.105 19395 3119 1 5 . 1 1 133 133 ILE CA C 133 63.997 63.997 63.967 0.031 19395 3120 1 5 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.577 -0.015 19395 3121 1 5 . 1 1 133 133 ILE H H 133 7.964 7.964 7.921 0.043 19395 3122 1 5 . 1 1 134 134 ARG N N 134 119.204 119.204 120.122 -0.918 19395 3123 1 5 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.047 0.275 19395 3124 1 5 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.552 0.608 19395 3125 1 5 . 1 1 134 134 ARG CB C 134 30.212 30.212 30.962 -0.750 19395 3126 1 5 . 1 1 134 134 ARG H H 134 8.449 8.449 8.213 0.236 19395 3127 1 5 . 1 1 135 135 GLN N N 135 117.511 117.511 118.766 -1.255 19395 3128 1 5 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.124 -0.087 19395 3129 1 5 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.234 0.103 19395 3130 1 5 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.550 -0.111 19395 3131 1 5 . 1 1 135 135 GLN H H 135 7.829 7.829 8.240 -0.411 19395 3132 1 5 . 1 1 136 136 LYS N N 136 116.364 116.364 116.845 -0.481 19395 3133 1 5 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.021 0.273 19395 3134 1 5 . 1 1 136 136 LYS CA C 136 56.209 56.209 58.039 -1.830 19395 3135 1 5 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.433 0.546 19395 3136 1 5 . 1 1 136 136 LYS H H 136 7.280 7.280 7.706 -0.426 19395 3137 1 5 . 1 1 139 139 GLY CA C 139 44.845 44.845 44.319 0.526 19395 3138 1 5 . 1 1 140 140 ALA N N 140 121.841 121.841 125.925 -4.084 19395 3139 1 5 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.489 -0.133 19395 3140 1 5 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.546 -0.219 19395 3141 1 5 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.489 0.085 19395 3142 1 5 . 1 1 140 140 ALA H H 140 7.553 7.553 7.712 -0.159 19395 3143 1 5 . 1 1 141 141 ILE N N 141 113.228 113.228 116.654 -3.426 19395 3144 1 5 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.231 -0.893 19395 3145 1 5 . 1 1 141 141 ILE CA C 141 65.889 65.889 59.108 6.781 19395 3146 1 5 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.507 -4.319 19395 3147 1 5 . 1 1 141 141 ILE H H 141 8.744 8.744 8.078 0.666 19395 3148 1 5 . 1 1 142 142 ASN N N 142 126.808 126.808 117.848 8.960 19395 3149 1 5 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.547 0.176 19395 3150 1 5 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.672 -3.589 19395 3151 1 5 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.950 -1.020 19395 3152 1 5 . 1 1 142 142 ASN H H 142 8.538 8.538 8.105 0.433 19395 3153 1 5 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.943 0.224 19395 3154 1 5 . 1 1 145 145 GLN N N 145 120.931 120.931 118.198 2.733 19395 3155 1 5 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.049 -0.314 19395 3156 1 5 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.465 0.370 19395 3157 1 5 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.641 0.162 19395 3158 1 5 . 1 1 145 145 GLN H H 145 8.737 8.737 8.355 0.382 19395 3159 1 5 . 1 1 146 146 LEU N N 146 122.433 122.433 120.323 2.110 19395 3160 1 5 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.164 -0.189 19395 3161 1 5 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.498 0.514 19395 3162 1 5 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.998 -0.202 19395 3163 1 5 . 1 1 146 146 LEU H H 146 8.917 8.917 8.142 0.775 19395 3164 1 5 . 1 1 147 147 THR N N 147 115.378 115.378 112.855 2.523 19395 3165 1 5 . 1 1 147 147 THR HA H 147 3.936 3.936 3.820 0.116 19395 3166 1 5 . 1 1 147 147 THR CA C 147 66.512 66.512 66.248 0.264 19395 3167 1 5 . 1 1 147 147 THR CB C 147 68.865 68.865 68.834 0.031 19395 3168 1 5 . 1 1 147 147 THR H H 147 7.948 7.948 7.835 0.113 19395 3169 1 5 . 1 1 148 148 TYR N N 148 120.402 120.402 123.733 -3.331 19395 3170 1 5 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.109 -0.027 19395 3171 1 5 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.272 -0.077 19395 3172 1 5 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.231 -0.254 19395 3173 1 5 . 1 1 148 148 TYR H H 148 7.366 7.366 8.557 -1.191 19395 3174 1 5 . 1 1 149 149 LEU N N 149 119.957 119.957 118.792 1.165 19395 3175 1 5 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.316 0.412 19395 3176 1 5 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.296 1.245 19395 3177 1 5 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.557 2.006 19395 3178 1 5 . 1 1 149 149 LEU H H 149 7.968 7.968 7.409 0.559 19395 3179 1 5 . 1 1 150 150 GLU N N 150 120.132 120.132 117.453 2.679 19395 3180 1 5 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.494 -1.111 19395 3181 1 5 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.650 -0.188 19395 3182 1 5 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.593 -0.012 19395 3183 1 5 . 1 1 150 150 GLU H H 150 8.305 8.305 7.427 0.878 19395 3184 1 5 . 1 1 151 151 LYS N N 151 114.600 114.600 115.741 -1.141 19395 3185 1 5 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.191 -0.120 19395 3186 1 5 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.851 -1.219 19395 3187 1 5 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.524 -0.577 19395 3188 1 5 . 1 1 151 151 LYS H H 151 7.106 7.106 7.424 -0.318 19395 3189 1 5 . 1 1 152 152 TYR N N 152 123.664 123.664 121.661 2.003 19395 3190 1 5 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.245 -0.470 19395 3191 1 5 . 1 1 152 152 TYR CA C 152 59.659 59.659 59.053 0.606 19395 3192 1 5 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.930 -0.685 19395 3193 1 5 . 1 1 152 152 TYR H H 152 7.187 7.187 7.624 -0.437 19395 3194 1 5 . 1 1 153 153 ARG N N 153 130.321 130.321 126.424 3.897 19395 3195 1 5 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.613 0.152 19395 3196 1 5 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.944 -0.431 19395 3197 1 5 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.993 -1.813 19395 3198 1 5 . 1 1 153 153 ARG H H 153 7.760 7.760 7.996 -0.236 19395 3199 1 5 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.668 -0.028 19395 3200 1 5 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.825 -0.770 19395 3201 1 5 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.143 1.460 19395 3202 1 5 . 1 1 155 155 LYS N N 155 122.066 122.066 122.777 -0.711 19395 3203 1 5 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.217 0.221 19395 3204 1 5 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.369 -0.446 19395 3205 1 5 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.259 1.184 19395 3206 1 5 . 1 1 155 155 LYS H H 155 9.586 9.586 8.344 1.242 19395 3207 1 5 . 1 1 156 156 GLN N N 156 117.702 117.702 115.198 2.504 19395 3208 1 5 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.076 0.290 19395 3209 1 5 . 1 1 156 156 GLN CA C 156 56.549 56.549 56.654 -0.105 19395 3210 1 5 . 1 1 156 156 GLN CB C 156 26.728 26.728 26.557 0.171 19395 3211 1 5 . 1 1 156 156 GLN H H 156 8.334 8.334 8.263 0.071 19395 3212 1 5 . 1 1 157 157 ARG N N 157 117.466 117.466 121.741 -4.275 19395 3213 1 5 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.451 -0.296 19395 3214 1 5 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.221 0.801 19395 3215 1 5 . 1 1 157 157 ARG CB C 157 30.769 30.769 31.037 -0.268 19395 3216 1 5 . 1 1 157 157 ARG H H 157 8.983 8.983 8.582 0.401 19395 3217 1 5 . 1 1 158 158 LEU N N 158 117.973 117.973 117.229 0.744 19395 3218 1 5 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.240 0.389 19395 3219 1 5 . 1 1 158 158 LEU CA C 158 53.469 53.469 56.969 -3.500 19395 3220 1 5 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.556 -1.051 19395 3221 1 5 . 1 1 158 158 LEU H H 158 8.123 8.123 7.967 0.156 19395 3222 1 5 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.449 -0.336 19395 3223 1 5 . 1 1 161 161 LYS CA C 161 56.487 56.487 55.203 1.284 19395 3224 1 5 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.483 -1.309 19395 3225 1 5 . 1 1 161 161 LYS H H 161 7.856 7.856 8.398 -0.542 19395 3226 1 6 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.454 -0.107 19395 3227 1 6 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.803 -0.265 19395 3228 1 6 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.520 -0.728 19395 3229 1 6 . 1 1 8 8 ALA N N 8 126.708 126.708 126.653 0.055 19395 3230 1 6 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.801 -0.190 19395 3231 1 6 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.336 0.972 19395 3232 1 6 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.419 -1.214 19395 3233 1 6 . 1 1 8 8 ALA H H 8 8.399 8.399 8.221 0.178 19395 3234 1 6 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.331 0.320 19395 3235 1 6 . 1 1 9 9 PRO CA C 9 62.583 62.583 61.890 0.693 19395 3236 1 6 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.384 0.127 19395 3237 1 6 . 1 1 10 10 VAL N N 10 118.581 118.581 119.378 -0.797 19395 3238 1 6 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.315 -0.014 19395 3239 1 6 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.523 -0.690 19395 3240 1 6 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.609 0.068 19395 3241 1 6 . 1 1 10 10 VAL H H 10 8.025 8.025 7.919 0.106 19395 3242 1 6 . 1 1 11 11 GLU N N 11 129.673 129.673 128.735 0.938 19395 3243 1 6 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.151 -0.066 19395 3244 1 6 . 1 1 11 11 GLU CA C 11 54.747 54.747 54.909 -0.162 19395 3245 1 6 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.791 0.338 19395 3246 1 6 . 1 1 11 11 GLU H H 11 8.723 8.723 8.790 -0.067 19395 3247 1 6 . 1 1 12 12 VAL N N 12 127.093 127.093 128.012 -0.919 19395 3248 1 6 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.528 -0.245 19395 3249 1 6 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.130 1.466 19395 3250 1 6 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.399 1.147 19395 3251 1 6 . 1 1 12 12 VAL H H 12 9.247 9.247 9.131 0.116 19395 3252 1 6 . 1 1 13 13 SER N N 13 123.385 123.385 125.526 -2.141 19395 3253 1 6 . 1 1 13 13 SER HA H 13 5.302 5.302 4.832 0.470 19395 3254 1 6 . 1 1 13 13 SER CA C 13 56.409 56.409 58.278 -1.869 19395 3255 1 6 . 1 1 13 13 SER CB C 13 64.981 64.981 63.383 1.598 19395 3256 1 6 . 1 1 13 13 SER H H 13 9.001 9.001 8.702 0.299 19395 3257 1 6 . 1 1 14 14 TYR N N 14 124.413 124.413 128.049 -3.636 19395 3258 1 6 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.545 -0.008 19395 3259 1 6 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.782 0.451 19395 3260 1 6 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.877 1.702 19395 3261 1 6 . 1 1 14 14 TYR H H 14 8.347 8.347 8.940 -0.593 19395 3262 1 6 . 1 1 15 15 LYS N N 15 125.130 125.130 119.238 5.892 19395 3263 1 6 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.987 -0.588 19395 3264 1 6 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.509 -0.135 19395 3265 1 6 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.278 -2.384 19395 3266 1 6 . 1 1 15 15 LYS H H 15 8.820 8.820 8.065 0.755 19395 3267 1 6 . 1 1 16 16 HIS N N 16 121.278 121.278 118.007 3.271 19395 3268 1 6 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.710 -0.260 19395 3269 1 6 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.267 1.471 19395 3270 1 6 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.843 0.386 19395 3271 1 6 . 1 1 16 16 HIS H H 16 8.784 8.784 8.158 0.626 19395 3272 1 6 . 1 1 17 17 MET N N 17 120.113 120.113 114.956 5.157 19395 3273 1 6 . 1 1 17 17 MET HA H 17 2.326 2.326 4.773 -2.447 19395 3274 1 6 . 1 1 17 17 MET CA C 17 54.714 54.714 55.179 -0.465 19395 3275 1 6 . 1 1 17 17 MET CB C 17 34.848 34.848 35.475 -0.627 19395 3276 1 6 . 1 1 17 17 MET H H 17 8.106 8.106 7.423 0.683 19395 3277 1 6 . 1 1 18 18 ARG N N 18 121.252 121.252 120.097 1.155 19395 3278 1 6 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.314 -0.475 19395 3279 1 6 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.381 0.413 19395 3280 1 6 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.975 -0.159 19395 3281 1 6 . 1 1 18 18 ARG H H 18 5.904 5.904 8.601 -2.697 19395 3282 1 6 . 1 1 19 19 PHE N N 19 121.195 121.195 122.025 -0.830 19395 3283 1 6 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.193 0.807 19395 3284 1 6 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.864 -0.245 19395 3285 1 6 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.907 -0.291 19395 3286 1 6 . 1 1 19 19 PHE H H 19 9.178 9.178 9.270 -0.092 19395 3287 1 6 . 1 1 20 20 LEU N N 20 123.804 123.804 122.549 1.255 19395 3288 1 6 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.284 -0.174 19395 3289 1 6 . 1 1 20 20 LEU CA C 20 52.568 52.568 53.843 -1.276 19395 3290 1 6 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.800 2.083 19395 3291 1 6 . 1 1 20 20 LEU H H 20 8.601 8.601 9.323 -0.722 19395 3292 1 6 . 1 1 21 21 ILE N N 21 126.661 126.661 122.507 4.154 19395 3293 1 6 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.278 -0.147 19395 3294 1 6 . 1 1 21 21 ILE CA C 21 60.828 60.828 58.610 2.218 19395 3295 1 6 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.887 0.322 19395 3296 1 6 . 1 1 21 21 ILE H H 21 9.323 9.323 9.208 0.115 19395 3297 1 6 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.429 -0.100 19395 3298 1 6 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.091 -1.273 19395 3299 1 6 . 1 1 25 25 PRO CB C 25 32.524 32.524 30.239 2.285 19395 3300 1 6 . 1 1 26 26 THR N N 26 131.812 131.812 117.444 14.368 19395 3301 1 6 . 1 1 26 26 THR H H 26 6.781 6.781 8.014 -1.233 19395 3302 1 6 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.153 0.191 19395 3303 1 6 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.741 0.280 19395 3304 1 6 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.174 0.009 19395 3305 1 6 . 1 1 29 29 THR N N 29 104.375 104.375 110.532 -6.157 19395 3306 1 6 . 1 1 29 29 THR HA H 29 4.847 4.847 4.418 0.429 19395 3307 1 6 . 1 1 29 29 THR CA C 29 60.370 60.370 61.478 -1.108 19395 3308 1 6 . 1 1 29 29 THR CB C 29 69.135 69.135 69.337 -0.202 19395 3309 1 6 . 1 1 29 29 THR H H 29 7.642 7.642 7.749 -0.107 19395 3310 1 6 . 1 1 30 30 LEU N N 30 124.383 124.383 122.065 2.318 19395 3311 1 6 . 1 1 30 30 LEU HA H 30 4.013 4.013 4.003 0.010 19395 3312 1 6 . 1 1 30 30 LEU CA C 30 57.711 57.711 56.871 0.840 19395 3313 1 6 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.582 1.772 19395 3314 1 6 . 1 1 30 30 LEU H H 30 7.356 7.356 7.841 -0.485 19395 3315 1 6 . 1 1 31 31 SER N N 31 111.792 111.792 114.162 -2.370 19395 3316 1 6 . 1 1 31 31 SER H H 31 6.915 6.915 8.331 -1.416 19395 3317 1 6 . 1 1 32 32 THR N N 32 116.374 116.374 116.831 -0.457 19395 3318 1 6 . 1 1 32 32 THR HA H 32 4.109 4.109 4.242 -0.133 19395 3319 1 6 . 1 1 32 32 THR CA C 32 65.142 65.142 66.167 -1.025 19395 3320 1 6 . 1 1 32 32 THR CB C 32 68.628 68.628 69.151 -0.523 19395 3321 1 6 . 1 1 32 32 THR H H 32 7.589 7.589 7.905 -0.316 19395 3322 1 6 . 1 1 33 33 PHE N N 33 124.790 124.790 123.603 1.187 19395 3323 1 6 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.441 0.034 19395 3324 1 6 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.721 0.329 19395 3325 1 6 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.594 1.245 19395 3326 1 6 . 1 1 33 33 PHE H H 33 7.644 7.644 8.142 -0.498 19395 3327 1 6 . 1 1 34 34 ILE N N 34 117.776 117.776 117.654 0.122 19395 3328 1 6 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.132 0.215 19395 3329 1 6 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.364 1.658 19395 3330 1 6 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.317 -5.671 19395 3331 1 6 . 1 1 34 34 ILE H H 34 8.535 8.535 8.614 -0.079 19395 3332 1 6 . 1 1 35 35 GLU N N 35 119.202 119.202 119.413 -0.211 19395 3333 1 6 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.960 -0.033 19395 3334 1 6 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.657 0.089 19395 3335 1 6 . 1 1 35 35 GLU CB C 35 29.375 29.375 28.972 0.403 19395 3336 1 6 . 1 1 35 35 GLU H H 35 7.512 7.512 7.567 -0.055 19395 3337 1 6 . 1 1 36 36 ASP N N 36 121.117 121.117 120.443 0.674 19395 3338 1 6 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.473 0.081 19395 3339 1 6 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.087 0.851 19395 3340 1 6 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.329 -0.210 19395 3341 1 6 . 1 1 36 36 ASP H H 36 8.049 8.049 8.246 -0.197 19395 3342 1 6 . 1 1 37 37 LEU N N 37 119.257 119.257 116.843 2.414 19395 3343 1 6 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.174 -0.421 19395 3344 1 6 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.723 0.780 19395 3345 1 6 . 1 1 37 37 LEU CB C 37 39.960 39.960 40.986 -1.026 19395 3346 1 6 . 1 1 37 37 LEU H H 37 8.016 8.016 7.531 0.485 19395 3347 1 6 . 1 1 38 38 LYS N N 38 117.743 117.743 119.833 -2.090 19395 3348 1 6 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.085 0.013 19395 3349 1 6 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.378 -0.074 19395 3350 1 6 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.752 -0.484 19395 3351 1 6 . 1 1 38 38 LYS H H 38 8.336 8.336 7.896 0.440 19395 3352 1 6 . 1 1 39 39 LYS N N 39 122.164 122.164 117.823 4.341 19395 3353 1 6 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.080 0.076 19395 3354 1 6 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.849 0.584 19395 3355 1 6 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.055 0.356 19395 3356 1 6 . 1 1 39 39 LYS H H 39 8.113 8.113 8.124 -0.011 19395 3357 1 6 . 1 1 40 40 TYR N N 40 114.347 114.347 118.277 -3.930 19395 3358 1 6 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.277 0.118 19395 3359 1 6 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.420 0.230 19395 3360 1 6 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.417 1.279 19395 3361 1 6 . 1 1 40 40 TYR H H 40 7.626 7.626 7.865 -0.239 19395 3362 1 6 . 1 1 41 41 GLY N N 41 109.921 109.921 104.598 5.323 19395 3363 1 6 . 1 1 41 41 GLY CA C 41 46.766 46.766 44.965 1.802 19395 3364 1 6 . 1 1 41 41 GLY H H 41 7.878 7.878 7.406 0.472 19395 3365 1 6 . 1 1 42 42 ALA N N 42 123.757 123.757 123.254 0.503 19395 3366 1 6 . 1 1 42 42 ALA HA H 42 5.158 5.158 5.009 0.149 19395 3367 1 6 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.808 0.330 19395 3368 1 6 . 1 1 42 42 ALA CB C 42 19.909 19.909 20.741 -0.832 19395 3369 1 6 . 1 1 42 42 ALA H H 42 8.544 8.544 8.261 0.283 19395 3370 1 6 . 1 1 43 43 THR N N 43 109.574 109.574 115.232 -5.658 19395 3371 1 6 . 1 1 43 43 THR HA H 43 4.479 4.479 4.400 0.079 19395 3372 1 6 . 1 1 43 43 THR CA C 43 61.144 61.144 61.742 -0.598 19395 3373 1 6 . 1 1 43 43 THR CB C 43 69.180 69.180 67.985 1.195 19395 3374 1 6 . 1 1 43 43 THR H H 43 7.969 7.969 8.139 -0.170 19395 3375 1 6 . 1 1 44 44 THR N N 44 118.101 118.101 116.396 1.705 19395 3376 1 6 . 1 1 44 44 THR HA H 44 5.226 5.226 5.003 0.223 19395 3377 1 6 . 1 1 44 44 THR CA C 44 62.061 62.061 61.142 0.919 19395 3378 1 6 . 1 1 44 44 THR CB C 44 72.595 72.595 72.311 0.284 19395 3379 1 6 . 1 1 44 44 THR H H 44 7.458 7.458 7.425 0.033 19395 3380 1 6 . 1 1 45 45 VAL N N 45 127.571 127.571 123.515 4.056 19395 3381 1 6 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.426 0.276 19395 3382 1 6 . 1 1 45 45 VAL CA C 45 60.504 60.504 61.288 -0.784 19395 3383 1 6 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.818 2.364 19395 3384 1 6 . 1 1 45 45 VAL H H 45 9.398 9.398 9.050 0.348 19395 3385 1 6 . 1 1 46 46 VAL N N 46 129.011 129.011 120.964 8.047 19395 3386 1 6 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.329 0.001 19395 3387 1 6 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.223 -0.706 19395 3388 1 6 . 1 1 46 46 VAL CB C 46 32.232 32.232 30.061 2.171 19395 3389 1 6 . 1 1 46 46 VAL H H 46 9.342 9.342 8.991 0.351 19395 3390 1 6 . 1 1 47 47 ARG N N 47 129.852 129.852 119.471 10.381 19395 3391 1 6 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.103 0.192 19395 3392 1 6 . 1 1 47 47 ARG CA C 47 56.019 56.019 57.296 -1.277 19395 3393 1 6 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.105 0.712 19395 3394 1 6 . 1 1 47 47 ARG H H 47 9.037 9.037 7.835 1.202 19395 3395 1 6 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.867 -0.933 19395 3396 1 6 . 1 1 49 49 CYS CA C 49 55.688 55.688 56.958 -1.270 19395 3397 1 6 . 1 1 49 49 CYS CB C 49 41.121 41.121 28.836 12.285 19395 3398 1 6 . 1 1 50 50 GLU N N 50 114.931 114.931 121.773 -6.842 19395 3399 1 6 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.225 -0.139 19395 3400 1 6 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.293 0.007 19395 3401 1 6 . 1 1 50 50 GLU CB C 50 29.445 29.445 28.249 1.196 19395 3402 1 6 . 1 1 50 50 GLU H H 50 8.669 8.669 8.345 0.324 19395 3403 1 6 . 1 1 51 51 VAL N N 51 122.453 122.453 119.217 3.236 19395 3404 1 6 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.170 -0.749 19395 3405 1 6 . 1 1 51 51 VAL CA C 51 64.120 64.120 62.408 1.712 19395 3406 1 6 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.561 -0.531 19395 3407 1 6 . 1 1 51 51 VAL H H 51 8.356 8.356 7.874 0.482 19395 3408 1 6 . 1 1 52 52 THR N N 52 118.382 118.382 117.915 0.467 19395 3409 1 6 . 1 1 52 52 THR HA H 52 4.525 4.525 4.472 0.053 19395 3410 1 6 . 1 1 52 52 THR CA C 52 61.197 61.197 61.529 -0.332 19395 3411 1 6 . 1 1 52 52 THR CB C 52 69.429 69.429 68.540 0.889 19395 3412 1 6 . 1 1 52 52 THR H H 52 8.936 8.936 8.210 0.726 19395 3413 1 6 . 1 1 53 53 TYR N N 53 116.747 116.747 120.373 -3.626 19395 3414 1 6 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.820 -0.058 19395 3415 1 6 . 1 1 53 53 TYR CA C 53 55.653 55.653 56.926 -1.273 19395 3416 1 6 . 1 1 53 53 TYR CB C 53 39.833 39.833 40.214 -0.381 19395 3417 1 6 . 1 1 53 53 TYR H H 53 7.040 7.040 7.792 -0.752 19395 3418 1 6 . 1 1 54 54 ASP N N 54 123.720 123.720 126.857 -3.137 19395 3419 1 6 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.288 0.220 19395 3420 1 6 . 1 1 54 54 ASP CA C 54 53.571 53.571 53.935 -0.364 19395 3421 1 6 . 1 1 54 54 ASP CB C 54 41.364 41.364 41.339 0.025 19395 3422 1 6 . 1 1 54 54 ASP H H 54 9.280 9.280 8.412 0.868 19395 3423 1 6 . 1 1 55 55 LYS N N 55 121.455 121.455 123.205 -1.750 19395 3424 1 6 . 1 1 55 55 LYS HA H 55 4.519 4.519 3.772 0.747 19395 3425 1 6 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.410 0.534 19395 3426 1 6 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.795 1.145 19395 3427 1 6 . 1 1 55 55 LYS H H 55 8.497 8.497 8.020 0.477 19395 3428 1 6 . 1 1 56 56 THR N N 56 120.743 120.743 119.260 1.483 19395 3429 1 6 . 1 1 56 56 THR HA H 56 4.120 4.120 4.485 -0.365 19395 3430 1 6 . 1 1 56 56 THR CA C 56 68.652 68.652 63.264 5.388 19395 3431 1 6 . 1 1 56 56 THR CB C 56 66.508 66.508 67.874 -1.366 19395 3432 1 6 . 1 1 56 56 THR H H 56 8.701 8.701 8.382 0.319 19395 3433 1 6 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.470 -0.179 19395 3434 1 6 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.550 0.283 19395 3435 1 6 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.347 0.043 19395 3436 1 6 . 1 1 58 58 LEU N N 58 116.313 116.313 117.292 -0.979 19395 3437 1 6 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.023 0.031 19395 3438 1 6 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.708 1.434 19395 3439 1 6 . 1 1 58 58 LEU CB C 58 40.354 40.354 39.760 0.594 19395 3440 1 6 . 1 1 58 58 LEU H H 58 7.170 7.170 8.470 -1.300 19395 3441 1 6 . 1 1 59 59 GLU N N 59 120.470 120.470 119.843 0.627 19395 3442 1 6 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.078 0.313 19395 3443 1 6 . 1 1 59 59 GLU CA C 59 59.104 59.104 58.759 0.345 19395 3444 1 6 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.052 0.274 19395 3445 1 6 . 1 1 59 59 GLU H H 59 7.794 7.794 8.668 -0.874 19395 3446 1 6 . 1 1 60 60 LYS N N 60 119.911 119.911 119.399 0.512 19395 3447 1 6 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.193 -0.085 19395 3448 1 6 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.612 0.943 19395 3449 1 6 . 1 1 60 60 LYS CB C 60 32.063 32.063 31.927 0.136 19395 3450 1 6 . 1 1 60 60 LYS H H 60 8.246 8.246 7.738 0.508 19395 3451 1 6 . 1 1 61 61 ASP N N 61 119.142 119.142 117.132 2.010 19395 3452 1 6 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.692 0.278 19395 3453 1 6 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.212 -0.433 19395 3454 1 6 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.803 1.084 19395 3455 1 6 . 1 1 61 61 ASP H H 61 7.235 7.235 7.636 -0.401 19395 3456 1 6 . 1 1 62 62 GLY N N 62 105.820 105.820 107.801 -1.981 19395 3457 1 6 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.931 0.111 19395 3458 1 6 . 1 1 62 62 GLY H H 62 7.742 7.742 7.555 0.187 19395 3459 1 6 . 1 1 63 63 ILE N N 63 123.074 123.074 120.180 2.894 19395 3460 1 6 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.084 0.254 19395 3461 1 6 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.805 -1.275 19395 3462 1 6 . 1 1 63 63 ILE CB C 63 38.518 38.518 38.793 -0.275 19395 3463 1 6 . 1 1 63 63 ILE H H 63 7.870 7.870 7.665 0.205 19395 3464 1 6 . 1 1 64 64 THR N N 64 123.510 123.510 124.004 -0.494 19395 3465 1 6 . 1 1 64 64 THR HA H 64 4.316 4.316 4.151 0.165 19395 3466 1 6 . 1 1 64 64 THR CA C 64 63.015 63.015 63.322 -0.307 19395 3467 1 6 . 1 1 64 64 THR CB C 64 70.376 70.376 68.415 1.961 19395 3468 1 6 . 1 1 64 64 THR H H 64 8.200 8.200 8.765 -0.565 19395 3469 1 6 . 1 1 65 65 VAL N N 65 128.299 128.299 128.018 0.281 19395 3470 1 6 . 1 1 65 65 VAL HA H 65 5.048 5.048 3.947 1.101 19395 3471 1 6 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.736 -1.689 19395 3472 1 6 . 1 1 65 65 VAL CB C 65 33.117 33.117 31.646 1.471 19395 3473 1 6 . 1 1 65 65 VAL H H 65 8.919 8.919 8.468 0.451 19395 3474 1 6 . 1 1 66 66 VAL N N 66 129.962 129.962 129.389 0.573 19395 3475 1 6 . 1 1 66 66 VAL HA H 66 3.927 3.927 3.911 0.016 19395 3476 1 6 . 1 1 66 66 VAL CA C 66 60.683 60.683 59.663 1.020 19395 3477 1 6 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.700 1.920 19395 3478 1 6 . 1 1 66 66 VAL H H 66 9.145 9.145 8.109 1.036 19395 3479 1 6 . 1 1 67 67 ASP N N 67 126.437 126.437 124.099 2.338 19395 3480 1 6 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.798 0.521 19395 3481 1 6 . 1 1 67 67 ASP CA C 67 54.170 54.170 51.936 2.234 19395 3482 1 6 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.176 1.895 19395 3483 1 6 . 1 1 67 67 ASP H H 67 8.099 8.099 7.301 0.798 19395 3484 1 6 . 1 1 68 68 TRP N N 68 125.863 125.863 121.607 4.256 19395 3485 1 6 . 1 1 68 68 TRP HA H 68 5.540 5.540 5.027 0.513 19395 3486 1 6 . 1 1 68 68 TRP CA C 68 51.631 51.631 54.302 -2.671 19395 3487 1 6 . 1 1 68 68 TRP CB C 68 30.303 30.303 33.074 -2.771 19395 3488 1 6 . 1 1 68 68 TRP H H 68 8.305 8.305 7.549 0.756 19395 3489 1 6 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.840 -0.855 19395 3490 1 6 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.143 -0.200 19395 3491 1 6 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.558 0.986 19395 3492 1 6 . 1 1 70 70 PHE N N 70 113.153 113.153 118.777 -5.624 19395 3493 1 6 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.393 0.367 19395 3494 1 6 . 1 1 70 70 PHE CA C 70 56.067 56.067 58.362 -2.295 19395 3495 1 6 . 1 1 70 70 PHE CB C 70 39.334 39.334 38.881 0.453 19395 3496 1 6 . 1 1 70 70 PHE H H 70 7.237 7.237 8.754 -1.517 19395 3497 1 6 . 1 1 71 71 ASP N N 71 120.632 120.632 119.283 1.349 19395 3498 1 6 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.512 -0.230 19395 3499 1 6 . 1 1 71 71 ASP CA C 71 55.907 55.907 53.925 1.982 19395 3500 1 6 . 1 1 71 71 ASP CB C 71 41.099 41.099 38.815 2.284 19395 3501 1 6 . 1 1 71 71 ASP H H 71 8.514 8.514 8.217 0.297 19395 3502 1 6 . 1 1 73 73 GLY H H 73 8.510 8.510 8.611 -0.101 19395 3503 1 6 . 1 1 74 74 ALA N N 74 123.138 123.138 122.660 0.478 19395 3504 1 6 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.882 -0.042 19395 3505 1 6 . 1 1 74 74 ALA CA C 74 50.106 50.106 50.043 0.063 19395 3506 1 6 . 1 1 74 74 ALA CB C 74 20.264 20.264 19.642 0.622 19395 3507 1 6 . 1 1 74 74 ALA H H 74 7.833 7.833 7.912 -0.079 19395 3508 1 6 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.497 -0.041 19395 3509 1 6 . 1 1 79 79 LYS N N 79 119.944 119.944 121.555 -1.611 19395 3510 1 6 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.319 -0.379 19395 3511 1 6 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.400 1.424 19395 3512 1 6 . 1 1 79 79 LYS CB C 79 32.310 32.310 33.127 -0.817 19395 3513 1 6 . 1 1 79 79 LYS H H 79 8.425 8.425 7.695 0.730 19395 3514 1 6 . 1 1 80 80 VAL N N 80 116.231 116.231 119.560 -3.329 19395 3515 1 6 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.738 -0.343 19395 3516 1 6 . 1 1 80 80 VAL CA C 80 64.913 64.913 65.115 -0.202 19395 3517 1 6 . 1 1 80 80 VAL CB C 80 31.293 31.293 31.447 -0.154 19395 3518 1 6 . 1 1 80 80 VAL H H 80 6.338 6.338 8.170 -1.832 19395 3519 1 6 . 1 1 81 81 VAL N N 81 118.082 118.082 115.368 2.714 19395 3520 1 6 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.612 -0.427 19395 3521 1 6 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.608 2.016 19395 3522 1 6 . 1 1 81 81 VAL CB C 81 31.645 31.645 30.913 0.732 19395 3523 1 6 . 1 1 81 81 VAL H H 81 7.362 7.362 7.892 -0.530 19395 3524 1 6 . 1 1 82 82 GLU N N 82 117.196 117.196 118.773 -1.577 19395 3525 1 6 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.946 -0.010 19395 3526 1 6 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.797 -0.303 19395 3527 1 6 . 1 1 82 82 GLU CB C 82 29.451 29.451 28.904 0.547 19395 3528 1 6 . 1 1 82 82 GLU H H 82 7.878 7.878 7.751 0.127 19395 3529 1 6 . 1 1 83 83 ASP N N 83 121.828 121.828 120.130 1.698 19395 3530 1 6 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.328 -0.089 19395 3531 1 6 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.355 0.924 19395 3532 1 6 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.280 -1.131 19395 3533 1 6 . 1 1 83 83 ASP H H 83 8.156 8.156 7.492 0.664 19395 3534 1 6 . 1 1 84 84 TRP N N 84 124.374 124.374 122.153 2.221 19395 3535 1 6 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.220 0.704 19395 3536 1 6 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.563 -0.541 19395 3537 1 6 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.752 0.058 19395 3538 1 6 . 1 1 84 84 TRP H H 84 8.939 8.939 8.065 0.874 19395 3539 1 6 . 1 1 85 85 LEU N N 85 117.918 117.918 117.366 0.552 19395 3540 1 6 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.018 -0.258 19395 3541 1 6 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.555 0.443 19395 3542 1 6 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.332 0.997 19395 3543 1 6 . 1 1 85 85 LEU H H 85 8.723 8.723 8.071 0.652 19395 3544 1 6 . 1 1 86 86 SER N N 86 114.182 114.182 115.231 -1.049 19395 3545 1 6 . 1 1 86 86 SER HA H 86 4.187 4.187 4.107 0.080 19395 3546 1 6 . 1 1 86 86 SER CA C 86 61.997 61.997 61.512 0.485 19395 3547 1 6 . 1 1 86 86 SER CB C 86 62.984 62.984 63.152 -0.168 19395 3548 1 6 . 1 1 86 86 SER H H 86 8.067 8.067 7.981 0.086 19395 3549 1 6 . 1 1 87 87 LEU N N 87 125.441 125.441 122.204 3.237 19395 3550 1 6 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.088 0.122 19395 3551 1 6 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.149 0.788 19395 3552 1 6 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.633 0.946 19395 3553 1 6 . 1 1 87 87 LEU H H 87 8.300 8.300 8.238 0.062 19395 3554 1 6 . 1 1 88 88 VAL N N 88 116.784 116.784 119.529 -2.745 19395 3555 1 6 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.691 -0.625 19395 3556 1 6 . 1 1 88 88 VAL CA C 88 66.385 66.385 68.010 -1.625 19395 3557 1 6 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.491 -0.727 19395 3558 1 6 . 1 1 88 88 VAL H H 88 8.468 8.468 8.027 0.441 19395 3559 1 6 . 1 1 89 89 LYS N N 89 118.569 118.569 118.787 -0.218 19395 3560 1 6 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.339 -0.314 19395 3561 1 6 . 1 1 89 89 LYS CA C 89 59.476 59.476 59.125 0.351 19395 3562 1 6 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.357 0.499 19395 3563 1 6 . 1 1 89 89 LYS H H 89 7.652 7.652 8.565 -0.913 19395 3564 1 6 . 1 1 90 90 ALA N N 90 119.043 119.043 121.239 -2.196 19395 3565 1 6 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.351 -0.200 19395 3566 1 6 . 1 1 90 90 ALA CA C 90 55.045 55.045 54.084 0.961 19395 3567 1 6 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.601 -1.147 19395 3568 1 6 . 1 1 90 90 ALA H H 90 7.616 7.616 7.876 -0.260 19395 3569 1 6 . 1 1 91 91 LYS N N 91 117.654 117.654 120.276 -2.622 19395 3570 1 6 . 1 1 91 91 LYS HA H 91 3.937 3.937 4.095 -0.158 19395 3571 1 6 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.027 -1.273 19395 3572 1 6 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.971 -1.808 19395 3573 1 6 . 1 1 91 91 LYS H H 91 8.658 8.658 8.601 0.057 19395 3574 1 6 . 1 1 92 92 PHE N N 92 113.471 113.471 118.753 -5.282 19395 3575 1 6 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.461 0.158 19395 3576 1 6 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.067 -0.472 19395 3577 1 6 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.377 -1.693 19395 3578 1 6 . 1 1 92 92 PHE H H 92 7.472 7.472 8.484 -1.012 19395 3579 1 6 . 1 1 93 93 CYS N N 93 117.138 117.138 118.811 -1.673 19395 3580 1 6 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.685 0.678 19395 3581 1 6 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.690 2.274 19395 3582 1 6 . 1 1 93 93 CYS CB C 93 27.478 27.478 26.719 0.759 19395 3583 1 6 . 1 1 93 93 CYS H H 93 7.562 7.562 7.086 0.476 19395 3584 1 6 . 1 1 94 94 GLU N N 94 118.594 118.594 119.491 -0.897 19395 3585 1 6 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.330 -0.203 19395 3586 1 6 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.450 1.591 19395 3587 1 6 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.178 -0.105 19395 3588 1 6 . 1 1 94 94 GLU H H 94 8.236 8.236 8.382 -0.146 19395 3589 1 6 . 1 1 95 95 ALA N N 95 121.081 121.081 123.381 -2.300 19395 3590 1 6 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.769 0.108 19395 3591 1 6 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.079 0.290 19395 3592 1 6 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.714 -1.590 19395 3593 1 6 . 1 1 95 95 ALA H H 95 7.898 7.898 7.485 0.413 19395 3594 1 6 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.393 0.430 19395 3595 1 6 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.405 0.562 19395 3596 1 6 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.430 1.126 19395 3597 1 6 . 1 1 97 97 GLY N N 97 113.478 113.478 113.273 0.205 19395 3598 1 6 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.788 -0.089 19395 3599 1 6 . 1 1 97 97 GLY H H 97 9.198 9.198 8.262 0.936 19395 3600 1 6 . 1 1 98 98 SER N N 98 115.643 115.643 114.448 1.195 19395 3601 1 6 . 1 1 98 98 SER HA H 98 4.560 4.560 4.248 0.312 19395 3602 1 6 . 1 1 98 98 SER CA C 98 58.923 58.923 60.361 -1.438 19395 3603 1 6 . 1 1 98 98 SER CB C 98 64.427 64.427 64.285 0.142 19395 3604 1 6 . 1 1 98 98 SER H H 98 8.066 8.066 8.006 0.060 19395 3605 1 6 . 1 1 99 99 CYS N N 99 115.484 115.484 116.676 -1.192 19395 3606 1 6 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.051 0.346 19395 3607 1 6 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.437 -1.650 19395 3608 1 6 . 1 1 99 99 CYS CB C 99 29.985 29.985 31.641 -1.656 19395 3609 1 6 . 1 1 99 99 CYS H H 99 7.532 7.532 8.053 -0.521 19395 3610 1 6 . 1 1 100 100 VAL N N 100 128.065 128.065 118.053 10.012 19395 3611 1 6 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.239 0.069 19395 3612 1 6 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.698 1.933 19395 3613 1 6 . 1 1 100 100 VAL CB C 100 34.384 34.384 31.730 2.654 19395 3614 1 6 . 1 1 100 100 VAL H H 100 8.392 8.392 8.115 0.277 19395 3615 1 6 . 1 1 101 101 ALA N N 101 130.346 130.346 130.951 -0.605 19395 3616 1 6 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.824 0.936 19395 3617 1 6 . 1 1 101 101 ALA CA C 101 50.101 50.101 51.261 -1.160 19395 3618 1 6 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.357 1.761 19395 3619 1 6 . 1 1 101 101 ALA H H 101 8.882 8.882 8.189 0.693 19395 3620 1 6 . 1 1 102 102 VAL N N 102 120.866 120.866 118.571 2.295 19395 3621 1 6 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.578 1.045 19395 3622 1 6 . 1 1 102 102 VAL CA C 102 58.795 58.795 59.898 -1.103 19395 3623 1 6 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.928 -0.788 19395 3624 1 6 . 1 1 102 102 VAL H H 102 9.359 9.359 8.927 0.432 19395 3625 1 6 . 1 1 103 103 HIS N N 103 120.019 120.019 123.087 -3.068 19395 3626 1 6 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.633 0.150 19395 3627 1 6 . 1 1 103 103 HIS CA C 103 55.292 55.292 57.459 -2.167 19395 3628 1 6 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.049 2.983 19395 3629 1 6 . 1 1 103 103 HIS H H 103 8.749 8.749 8.492 0.257 19395 3630 1 6 . 1 1 104 104 CYS N N 104 118.175 118.175 123.500 -5.325 19395 3631 1 6 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.811 -0.114 19395 3632 1 6 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.201 -0.936 19395 3633 1 6 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.826 2.353 19395 3634 1 6 . 1 1 104 104 CYS H H 104 8.428 8.428 8.788 -0.360 19395 3635 1 6 . 1 1 105 105 VAL N N 105 125.962 125.962 123.890 2.072 19395 3636 1 6 . 1 1 105 105 VAL HA H 105 4.219 4.219 4.223 -0.004 19395 3637 1 6 . 1 1 105 105 VAL CA C 105 66.483 66.483 62.343 4.140 19395 3638 1 6 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.592 -0.209 19395 3639 1 6 . 1 1 105 105 VAL H H 105 8.422 8.422 8.179 0.243 19395 3640 1 6 . 1 1 106 106 ALA N N 106 123.180 123.180 122.605 0.575 19395 3641 1 6 . 1 1 106 106 ALA HA H 106 4.695 4.695 3.959 0.736 19395 3642 1 6 . 1 1 106 106 ALA CA C 106 52.862 52.862 54.147 -1.285 19395 3643 1 6 . 1 1 106 106 ALA CB C 106 20.123 20.123 18.425 1.698 19395 3644 1 6 . 1 1 106 106 ALA H H 106 9.997 9.997 8.282 1.715 19395 3645 1 6 . 1 1 107 107 GLY N N 107 109.076 109.076 105.162 3.914 19395 3646 1 6 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.715 1.904 19395 3647 1 6 . 1 1 107 107 GLY H H 107 8.019 8.019 7.778 0.241 19395 3648 1 6 . 1 1 108 108 LEU N N 108 117.413 117.413 122.569 -5.156 19395 3649 1 6 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.801 0.663 19395 3650 1 6 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.333 0.450 19395 3651 1 6 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.672 4.149 19395 3652 1 6 . 1 1 108 108 LEU H H 108 7.598 7.598 8.428 -0.830 19395 3653 1 6 . 1 1 109 109 GLY N N 109 111.143 111.143 106.868 4.275 19395 3654 1 6 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.743 -0.102 19395 3655 1 6 . 1 1 109 109 GLY H H 109 10.576 10.576 8.711 1.865 19395 3656 1 6 . 1 1 110 110 ARG N N 110 127.464 127.464 123.601 3.863 19395 3657 1 6 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.832 -0.277 19395 3658 1 6 . 1 1 110 110 ARG CA C 110 60.426 60.426 59.028 1.398 19395 3659 1 6 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.303 2.880 19395 3660 1 6 . 1 1 110 110 ARG H H 110 10.234 10.234 8.455 1.779 19395 3661 1 6 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.289 -0.405 19395 3662 1 6 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.398 1.134 19395 3663 1 6 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.551 -0.642 19395 3664 1 6 . 1 1 113 113 VAL N N 113 116.720 116.720 119.973 -3.253 19395 3665 1 6 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.670 -0.110 19395 3666 1 6 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.900 -0.170 19395 3667 1 6 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.344 -0.821 19395 3668 1 6 . 1 1 113 113 VAL H H 113 8.340 8.340 8.525 -0.185 19395 3669 1 6 . 1 1 114 114 LEU N N 114 119.045 119.045 119.210 -0.165 19395 3670 1 6 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.283 -0.625 19395 3671 1 6 . 1 1 114 114 LEU CA C 114 58.030 58.030 57.865 0.165 19395 3672 1 6 . 1 1 114 114 LEU CB C 114 38.799 38.799 40.585 -1.786 19395 3673 1 6 . 1 1 114 114 LEU H H 114 6.990 6.990 8.647 -1.657 19395 3674 1 6 . 1 1 115 115 VAL N N 115 120.270 120.270 115.378 4.892 19395 3675 1 6 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.368 -0.325 19395 3676 1 6 . 1 1 115 115 VAL CA C 115 67.509 67.509 66.188 1.321 19395 3677 1 6 . 1 1 115 115 VAL CB C 115 30.787 30.787 30.779 0.008 19395 3678 1 6 . 1 1 115 115 VAL H H 115 7.188 7.188 7.824 -0.636 19395 3679 1 6 . 1 1 116 116 ALA N N 116 121.280 121.280 123.552 -2.272 19395 3680 1 6 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.042 -0.281 19395 3681 1 6 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.123 0.734 19395 3682 1 6 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.393 -0.525 19395 3683 1 6 . 1 1 116 116 ALA H H 116 8.649 8.649 7.829 0.820 19395 3684 1 6 . 1 1 117 117 LEU N N 117 116.557 116.557 120.205 -3.648 19395 3685 1 6 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.917 -0.149 19395 3686 1 6 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.862 0.498 19395 3687 1 6 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.868 2.199 19395 3688 1 6 . 1 1 117 117 LEU H H 117 8.048 8.048 7.570 0.478 19395 3689 1 6 . 1 1 118 118 ALA N N 118 119.916 119.916 120.143 -0.227 19395 3690 1 6 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.605 0.464 19395 3691 1 6 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.390 0.974 19395 3692 1 6 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.509 1.118 19395 3693 1 6 . 1 1 118 118 ALA H H 118 7.691 7.691 6.870 0.821 19395 3694 1 6 . 1 1 119 119 LEU N N 119 116.962 116.962 120.250 -3.288 19395 3695 1 6 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.092 -0.217 19395 3696 1 6 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.723 0.702 19395 3697 1 6 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.572 -1.787 19395 3698 1 6 . 1 1 119 119 LEU H H 119 7.988 7.988 7.609 0.379 19395 3699 1 6 . 1 1 120 120 ILE N N 120 123.209 123.209 119.606 3.603 19395 3700 1 6 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.904 0.845 19395 3701 1 6 . 1 1 120 120 ILE CA C 120 64.104 64.104 64.562 -0.458 19395 3702 1 6 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.634 1.608 19395 3703 1 6 . 1 1 120 120 ILE H H 120 8.643 8.643 8.141 0.502 19395 3704 1 6 . 1 1 121 121 GLU N N 121 121.219 121.219 118.310 2.909 19395 3705 1 6 . 1 1 121 121 GLU HA H 121 4.508 4.508 3.983 0.525 19395 3706 1 6 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.202 -0.063 19395 3707 1 6 . 1 1 121 121 GLU CB C 121 29.233 29.233 29.027 0.206 19395 3708 1 6 . 1 1 121 121 GLU H H 121 8.680 8.680 7.760 0.920 19395 3709 1 6 . 1 1 122 122 SER N N 122 114.306 114.306 112.464 1.842 19395 3710 1 6 . 1 1 122 122 SER HA H 122 4.783 4.783 4.252 0.531 19395 3711 1 6 . 1 1 122 122 SER CA C 122 58.581 58.581 60.753 -2.172 19395 3712 1 6 . 1 1 122 122 SER CB C 122 64.656 64.656 63.788 0.868 19395 3713 1 6 . 1 1 122 122 SER H H 122 7.834 7.834 8.017 -0.183 19395 3714 1 6 . 1 1 123 123 GLY N N 123 108.666 108.666 109.042 -0.376 19395 3715 1 6 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.519 0.561 19395 3716 1 6 . 1 1 123 123 GLY H H 123 7.902 7.902 7.785 0.117 19395 3717 1 6 . 1 1 124 124 MET N N 124 123.358 123.358 119.443 3.915 19395 3718 1 6 . 1 1 124 124 MET HA H 124 4.258 4.258 4.610 -0.352 19395 3719 1 6 . 1 1 124 124 MET CA C 124 56.698 56.698 53.453 3.245 19395 3720 1 6 . 1 1 124 124 MET CB C 124 34.104 34.104 35.469 -1.365 19395 3721 1 6 . 1 1 124 124 MET H H 124 7.970 7.970 7.456 0.514 19395 3722 1 6 . 1 1 125 125 LYS N N 125 125.848 125.848 123.231 2.617 19395 3723 1 6 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.338 -0.044 19395 3724 1 6 . 1 1 125 125 LYS CA C 125 56.909 56.909 55.483 1.426 19395 3725 1 6 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.371 0.366 19395 3726 1 6 . 1 1 125 125 LYS H H 125 8.903 8.903 8.482 0.421 19395 3727 1 6 . 1 1 126 126 TYR N N 126 124.016 124.016 127.085 -3.069 19395 3728 1 6 . 1 1 126 126 TYR HA H 126 4.060 4.060 4.020 0.040 19395 3729 1 6 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.467 -0.733 19395 3730 1 6 . 1 1 126 126 TYR CB C 126 37.942 37.942 38.144 -0.202 19395 3731 1 6 . 1 1 126 126 TYR H H 126 9.242 9.242 8.937 0.305 19395 3732 1 6 . 1 1 127 127 GLU N N 127 119.702 119.702 118.127 1.575 19395 3733 1 6 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.280 0.113 19395 3734 1 6 . 1 1 127 127 GLU CA C 127 60.215 60.215 60.069 0.146 19395 3735 1 6 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.596 0.389 19395 3736 1 6 . 1 1 127 127 GLU H H 127 9.102 9.102 8.701 0.401 19395 3737 1 6 . 1 1 128 128 ASP N N 128 118.661 118.661 119.377 -0.716 19395 3738 1 6 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.304 0.107 19395 3739 1 6 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.543 -0.969 19395 3740 1 6 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.032 0.073 19395 3741 1 6 . 1 1 128 128 ASP H H 128 6.782 6.782 8.218 -1.436 19395 3742 1 6 . 1 1 129 129 ALA N N 129 125.068 125.068 122.359 2.709 19395 3743 1 6 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.024 0.203 19395 3744 1 6 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.179 0.233 19395 3745 1 6 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.494 -0.182 19395 3746 1 6 . 1 1 129 129 ALA H H 129 8.365 8.365 8.274 0.091 19395 3747 1 6 . 1 1 130 130 ILE N N 130 115.533 115.533 119.458 -3.925 19395 3748 1 6 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.600 -0.109 19395 3749 1 6 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.945 1.171 19395 3750 1 6 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.514 0.272 19395 3751 1 6 . 1 1 130 130 ILE H H 130 8.044 8.044 8.157 -0.113 19395 3752 1 6 . 1 1 131 131 GLN N N 131 118.503 118.503 118.363 0.140 19395 3753 1 6 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.919 0.097 19395 3754 1 6 . 1 1 131 131 GLN CA C 131 58.791 58.791 59.033 -0.242 19395 3755 1 6 . 1 1 131 131 GLN CB C 131 28.439 28.439 28.502 -0.063 19395 3756 1 6 . 1 1 131 131 GLN H H 131 7.426 7.426 8.070 -0.644 19395 3757 1 6 . 1 1 132 132 PHE N N 132 120.679 120.679 121.066 -0.387 19395 3758 1 6 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.219 0.104 19395 3759 1 6 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.350 -0.175 19395 3760 1 6 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.110 0.740 19395 3761 1 6 . 1 1 132 132 PHE H H 132 8.416 8.416 7.820 0.596 19395 3762 1 6 . 1 1 133 133 ILE N N 133 116.466 116.466 114.276 2.190 19395 3763 1 6 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.657 -0.168 19395 3764 1 6 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.047 -0.050 19395 3765 1 6 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.737 -0.176 19395 3766 1 6 . 1 1 133 133 ILE H H 133 7.964 7.964 7.836 0.128 19395 3767 1 6 . 1 1 134 134 ARG N N 134 119.204 119.204 119.755 -0.551 19395 3768 1 6 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.183 0.139 19395 3769 1 6 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.490 0.670 19395 3770 1 6 . 1 1 134 134 ARG CB C 134 30.212 30.212 30.982 -0.770 19395 3771 1 6 . 1 1 134 134 ARG H H 134 8.449 8.449 8.328 0.121 19395 3772 1 6 . 1 1 135 135 GLN N N 135 117.511 117.511 118.152 -0.641 19395 3773 1 6 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.247 -0.210 19395 3774 1 6 . 1 1 135 135 GLN CA C 135 58.337 58.337 57.830 0.507 19395 3775 1 6 . 1 1 135 135 GLN CB C 135 28.439 28.439 29.016 -0.577 19395 3776 1 6 . 1 1 135 135 GLN H H 135 7.829 7.829 8.028 -0.199 19395 3777 1 6 . 1 1 136 136 LYS N N 136 116.364 116.364 117.912 -1.548 19395 3778 1 6 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.365 -0.071 19395 3779 1 6 . 1 1 136 136 LYS CA C 136 56.209 56.209 56.057 0.152 19395 3780 1 6 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.422 0.557 19395 3781 1 6 . 1 1 136 136 LYS H H 136 7.280 7.280 7.648 -0.368 19395 3782 1 6 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.807 -0.962 19395 3783 1 6 . 1 1 140 140 ALA N N 140 121.841 121.841 121.089 0.752 19395 3784 1 6 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.096 0.260 19395 3785 1 6 . 1 1 140 140 ALA CA C 140 53.327 53.327 54.298 -0.971 19395 3786 1 6 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.328 0.246 19395 3787 1 6 . 1 1 140 140 ALA H H 140 7.553 7.553 8.175 -0.622 19395 3788 1 6 . 1 1 141 141 ILE N N 141 113.228 113.228 116.122 -2.894 19395 3789 1 6 . 1 1 141 141 ILE HA H 141 3.338 3.338 3.975 -0.637 19395 3790 1 6 . 1 1 141 141 ILE CA C 141 65.889 65.889 62.416 3.473 19395 3791 1 6 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.694 -4.506 19395 3792 1 6 . 1 1 141 141 ILE H H 141 8.744 8.744 8.032 0.712 19395 3793 1 6 . 1 1 142 142 ASN N N 142 126.808 126.808 117.273 9.535 19395 3794 1 6 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.447 0.276 19395 3795 1 6 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.262 -3.179 19395 3796 1 6 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.555 -0.625 19395 3797 1 6 . 1 1 142 142 ASN H H 142 8.538 8.538 8.481 0.057 19395 3798 1 6 . 1 1 144 144 LYS HA H 144 4.167 4.167 4.012 0.155 19395 3799 1 6 . 1 1 145 145 GLN N N 145 120.931 120.931 118.594 2.337 19395 3800 1 6 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.047 -0.312 19395 3801 1 6 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.352 0.483 19395 3802 1 6 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.889 -0.086 19395 3803 1 6 . 1 1 145 145 GLN H H 145 8.737 8.737 7.918 0.819 19395 3804 1 6 . 1 1 146 146 LEU N N 146 122.433 122.433 120.424 2.009 19395 3805 1 6 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.215 -0.240 19395 3806 1 6 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.506 0.507 19395 3807 1 6 . 1 1 146 146 LEU CB C 146 41.796 41.796 42.142 -0.346 19395 3808 1 6 . 1 1 146 146 LEU H H 146 8.917 8.917 7.785 1.132 19395 3809 1 6 . 1 1 147 147 THR N N 147 115.378 115.378 112.177 3.201 19395 3810 1 6 . 1 1 147 147 THR HA H 147 3.936 3.936 3.872 0.064 19395 3811 1 6 . 1 1 147 147 THR CA C 147 66.512 66.512 66.055 0.457 19395 3812 1 6 . 1 1 147 147 THR CB C 147 68.865 68.865 68.932 -0.067 19395 3813 1 6 . 1 1 147 147 THR H H 147 7.948 7.948 7.580 0.368 19395 3814 1 6 . 1 1 148 148 TYR N N 148 120.402 120.402 123.946 -3.544 19395 3815 1 6 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.131 -0.049 19395 3816 1 6 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.315 -0.120 19395 3817 1 6 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.259 -0.282 19395 3818 1 6 . 1 1 148 148 TYR H H 148 7.366 7.366 8.186 -0.820 19395 3819 1 6 . 1 1 149 149 LEU N N 149 119.957 119.957 118.801 1.156 19395 3820 1 6 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.387 0.341 19395 3821 1 6 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.397 1.145 19395 3822 1 6 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.396 2.167 19395 3823 1 6 . 1 1 149 149 LEU H H 149 7.968 7.968 7.692 0.276 19395 3824 1 6 . 1 1 150 150 GLU N N 150 120.132 120.132 117.936 2.196 19395 3825 1 6 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.590 -1.207 19395 3826 1 6 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.631 -0.169 19395 3827 1 6 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.596 -0.015 19395 3828 1 6 . 1 1 150 150 GLU H H 150 8.305 8.305 7.276 1.029 19395 3829 1 6 . 1 1 151 151 LYS N N 151 114.600 114.600 115.949 -1.349 19395 3830 1 6 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.156 -0.085 19395 3831 1 6 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.671 -1.039 19395 3832 1 6 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.658 -0.711 19395 3833 1 6 . 1 1 151 151 LYS H H 151 7.106 7.106 7.320 -0.214 19395 3834 1 6 . 1 1 152 152 TYR N N 152 123.664 123.664 122.068 1.596 19395 3835 1 6 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.176 -0.401 19395 3836 1 6 . 1 1 152 152 TYR CA C 152 59.659 59.659 58.549 1.110 19395 3837 1 6 . 1 1 152 152 TYR CB C 152 38.245 38.245 39.073 -0.828 19395 3838 1 6 . 1 1 152 152 TYR H H 152 7.187 7.187 7.673 -0.486 19395 3839 1 6 . 1 1 153 153 ARG N N 153 130.321 130.321 124.907 5.414 19395 3840 1 6 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.616 0.149 19395 3841 1 6 . 1 1 153 153 ARG CA C 153 51.513 51.513 52.085 -0.572 19395 3842 1 6 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.209 -1.029 19395 3843 1 6 . 1 1 153 153 ARG H H 153 7.760 7.760 7.740 0.020 19395 3844 1 6 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.673 -0.033 19395 3845 1 6 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.798 -0.743 19395 3846 1 6 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.709 0.894 19395 3847 1 6 . 1 1 155 155 LYS N N 155 122.066 122.066 122.333 -0.267 19395 3848 1 6 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.204 0.234 19395 3849 1 6 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.018 -0.095 19395 3850 1 6 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.193 1.250 19395 3851 1 6 . 1 1 155 155 LYS H H 155 9.586 9.586 8.595 0.991 19395 3852 1 6 . 1 1 156 156 GLN N N 156 117.702 117.702 118.139 -0.437 19395 3853 1 6 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.247 0.119 19395 3854 1 6 . 1 1 156 156 GLN CA C 156 56.549 56.549 57.084 -0.535 19395 3855 1 6 . 1 1 156 156 GLN CB C 156 26.728 26.728 27.443 -0.715 19395 3856 1 6 . 1 1 156 156 GLN H H 156 8.334 8.334 8.147 0.187 19395 3857 1 6 . 1 1 157 157 ARG N N 157 117.466 117.466 124.350 -6.884 19395 3858 1 6 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.470 -0.315 19395 3859 1 6 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.877 0.145 19395 3860 1 6 . 1 1 157 157 ARG CB C 157 30.769 30.769 31.326 -0.557 19395 3861 1 6 . 1 1 157 157 ARG H H 157 8.983 8.983 8.754 0.229 19395 3862 1 6 . 1 1 158 158 LEU N N 158 117.973 117.973 117.012 0.961 19395 3863 1 6 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.417 0.212 19395 3864 1 6 . 1 1 158 158 LEU CA C 158 53.469 53.469 56.004 -2.535 19395 3865 1 6 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.827 -1.322 19395 3866 1 6 . 1 1 158 158 LEU H H 158 8.123 8.123 8.064 0.059 19395 3867 1 6 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.274 -0.161 19395 3868 1 6 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.786 1.701 19395 3869 1 6 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.216 -1.042 19395 3870 1 6 . 1 1 161 161 LYS H H 161 7.856 7.856 7.754 0.102 19395 3871 1 7 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.469 -0.122 19395 3872 1 7 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.713 -0.175 19395 3873 1 7 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.734 -0.942 19395 3874 1 7 . 1 1 8 8 ALA N N 8 126.708 126.708 126.958 -0.250 19395 3875 1 7 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.735 -0.124 19395 3876 1 7 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.065 1.243 19395 3877 1 7 . 1 1 8 8 ALA CB C 8 18.205 18.205 18.939 -0.734 19395 3878 1 7 . 1 1 8 8 ALA H H 8 8.399 8.399 8.183 0.216 19395 3879 1 7 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.336 0.315 19395 3880 1 7 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.047 0.536 19395 3881 1 7 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.392 0.119 19395 3882 1 7 . 1 1 10 10 VAL N N 10 118.581 118.581 119.881 -1.300 19395 3883 1 7 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.299 0.002 19395 3884 1 7 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.319 -0.486 19395 3885 1 7 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.505 0.172 19395 3886 1 7 . 1 1 10 10 VAL H H 10 8.025 8.025 8.014 0.011 19395 3887 1 7 . 1 1 11 11 GLU N N 11 129.673 129.673 129.163 0.510 19395 3888 1 7 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.082 0.003 19395 3889 1 7 . 1 1 11 11 GLU CA C 11 54.747 54.747 54.942 -0.195 19395 3890 1 7 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.503 0.626 19395 3891 1 7 . 1 1 11 11 GLU H H 11 8.723 8.723 8.776 -0.053 19395 3892 1 7 . 1 1 12 12 VAL N N 12 127.093 127.093 126.828 0.265 19395 3893 1 7 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.510 -0.227 19395 3894 1 7 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.537 1.059 19395 3895 1 7 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.833 0.713 19395 3896 1 7 . 1 1 12 12 VAL H H 12 9.247 9.247 9.156 0.091 19395 3897 1 7 . 1 1 13 13 SER N N 13 123.385 123.385 125.658 -2.273 19395 3898 1 7 . 1 1 13 13 SER HA H 13 5.302 5.302 4.873 0.429 19395 3899 1 7 . 1 1 13 13 SER CA C 13 56.409 56.409 58.310 -1.901 19395 3900 1 7 . 1 1 13 13 SER CB C 13 64.981 64.981 63.474 1.507 19395 3901 1 7 . 1 1 13 13 SER H H 13 9.001 9.001 8.554 0.447 19395 3902 1 7 . 1 1 14 14 TYR N N 14 124.413 124.413 128.581 -4.168 19395 3903 1 7 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.542 -0.005 19395 3904 1 7 . 1 1 14 14 TYR CA C 14 58.233 58.233 58.061 0.172 19395 3905 1 7 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.659 1.920 19395 3906 1 7 . 1 1 14 14 TYR H H 14 8.347 8.347 8.690 -0.343 19395 3907 1 7 . 1 1 15 15 LYS N N 15 125.130 125.130 120.209 4.921 19395 3908 1 7 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.988 -0.589 19395 3909 1 7 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.538 -0.164 19395 3910 1 7 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.278 -2.384 19395 3911 1 7 . 1 1 15 15 LYS H H 15 8.820 8.820 8.247 0.573 19395 3912 1 7 . 1 1 16 16 HIS N N 16 121.278 121.278 117.951 3.327 19395 3913 1 7 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.721 -0.271 19395 3914 1 7 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.276 1.462 19395 3915 1 7 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.847 0.382 19395 3916 1 7 . 1 1 16 16 HIS H H 16 8.784 8.784 8.168 0.616 19395 3917 1 7 . 1 1 17 17 MET N N 17 120.113 120.113 114.862 5.251 19395 3918 1 7 . 1 1 17 17 MET HA H 17 2.326 2.326 4.772 -2.446 19395 3919 1 7 . 1 1 17 17 MET CA C 17 54.714 54.714 55.203 -0.489 19395 3920 1 7 . 1 1 17 17 MET CB C 17 34.848 34.848 35.202 -0.354 19395 3921 1 7 . 1 1 17 17 MET H H 17 8.106 8.106 7.438 0.668 19395 3922 1 7 . 1 1 18 18 ARG N N 18 121.252 121.252 119.689 1.563 19395 3923 1 7 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.296 -0.457 19395 3924 1 7 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.484 0.310 19395 3925 1 7 . 1 1 18 18 ARG CB C 18 33.816 33.816 34.103 -0.287 19395 3926 1 7 . 1 1 18 18 ARG H H 18 5.904 5.904 8.559 -2.655 19395 3927 1 7 . 1 1 19 19 PHE N N 19 121.195 121.195 121.739 -0.544 19395 3928 1 7 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.181 0.819 19395 3929 1 7 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.899 -0.281 19395 3930 1 7 . 1 1 19 19 PHE CB C 19 43.616 43.616 44.030 -0.414 19395 3931 1 7 . 1 1 19 19 PHE H H 19 9.178 9.178 9.377 -0.199 19395 3932 1 7 . 1 1 20 20 LEU N N 20 123.804 123.804 122.460 1.344 19395 3933 1 7 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.277 -0.167 19395 3934 1 7 . 1 1 20 20 LEU CA C 20 52.568 52.568 53.842 -1.274 19395 3935 1 7 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.911 1.972 19395 3936 1 7 . 1 1 20 20 LEU H H 20 8.601 8.601 9.266 -0.665 19395 3937 1 7 . 1 1 21 21 ILE N N 21 126.661 126.661 122.945 3.716 19395 3938 1 7 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.304 -0.173 19395 3939 1 7 . 1 1 21 21 ILE CA C 21 60.828 60.828 58.795 2.033 19395 3940 1 7 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.295 0.914 19395 3941 1 7 . 1 1 21 21 ILE H H 21 9.323 9.323 9.070 0.253 19395 3942 1 7 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.379 -0.050 19395 3943 1 7 . 1 1 25 25 PRO CA C 25 61.818 61.818 64.124 -2.306 19395 3944 1 7 . 1 1 25 25 PRO CB C 25 32.524 32.524 31.946 0.578 19395 3945 1 7 . 1 1 26 26 THR N N 26 131.812 131.812 114.724 17.088 19395 3946 1 7 . 1 1 26 26 THR H H 26 6.781 6.781 7.784 -1.003 19395 3947 1 7 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.137 0.207 19395 3948 1 7 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.574 0.447 19395 3949 1 7 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.148 0.035 19395 3950 1 7 . 1 1 29 29 THR N N 29 104.375 104.375 110.328 -5.953 19395 3951 1 7 . 1 1 29 29 THR HA H 29 4.847 4.847 4.420 0.427 19395 3952 1 7 . 1 1 29 29 THR CA C 29 60.370 60.370 62.429 -2.059 19395 3953 1 7 . 1 1 29 29 THR CB C 29 69.135 69.135 69.015 0.120 19395 3954 1 7 . 1 1 29 29 THR H H 29 7.642 7.642 7.483 0.159 19395 3955 1 7 . 1 1 30 30 LEU N N 30 124.383 124.383 121.321 3.062 19395 3956 1 7 . 1 1 30 30 LEU HA H 30 4.013 4.013 3.983 0.030 19395 3957 1 7 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.060 0.650 19395 3958 1 7 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.698 1.656 19395 3959 1 7 . 1 1 30 30 LEU H H 30 7.356 7.356 7.887 -0.531 19395 3960 1 7 . 1 1 31 31 SER N N 31 111.792 111.792 115.269 -3.477 19395 3961 1 7 . 1 1 31 31 SER H H 31 6.915 6.915 8.431 -1.516 19395 3962 1 7 . 1 1 32 32 THR N N 32 116.374 116.374 115.834 0.540 19395 3963 1 7 . 1 1 32 32 THR HA H 32 4.109 4.109 4.124 -0.015 19395 3964 1 7 . 1 1 32 32 THR CA C 32 65.142 65.142 66.084 -0.942 19395 3965 1 7 . 1 1 32 32 THR CB C 32 68.628 68.628 68.562 0.066 19395 3966 1 7 . 1 1 32 32 THR H H 32 7.589 7.589 8.425 -0.836 19395 3967 1 7 . 1 1 33 33 PHE N N 33 124.790 124.790 122.759 2.031 19395 3968 1 7 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.227 0.248 19395 3969 1 7 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.246 0.804 19395 3970 1 7 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.594 1.245 19395 3971 1 7 . 1 1 33 33 PHE H H 33 7.644 7.644 7.693 -0.049 19395 3972 1 7 . 1 1 34 34 ILE N N 34 117.776 117.776 118.580 -0.804 19395 3973 1 7 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.007 0.340 19395 3974 1 7 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.240 1.782 19395 3975 1 7 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.466 -5.820 19395 3976 1 7 . 1 1 34 34 ILE H H 34 8.535 8.535 8.693 -0.158 19395 3977 1 7 . 1 1 35 35 GLU N N 35 119.202 119.202 118.776 0.426 19395 3978 1 7 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.908 0.019 19395 3979 1 7 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.599 0.146 19395 3980 1 7 . 1 1 35 35 GLU CB C 35 29.375 29.375 28.986 0.389 19395 3981 1 7 . 1 1 35 35 GLU H H 35 7.512 7.512 7.481 0.031 19395 3982 1 7 . 1 1 36 36 ASP N N 36 121.117 121.117 120.486 0.631 19395 3983 1 7 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.501 0.053 19395 3984 1 7 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.293 0.645 19395 3985 1 7 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.781 -0.662 19395 3986 1 7 . 1 1 36 36 ASP H H 36 8.049 8.049 7.861 0.188 19395 3987 1 7 . 1 1 37 37 LEU N N 37 119.257 119.257 116.276 2.981 19395 3988 1 7 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.245 -0.492 19395 3989 1 7 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.646 0.857 19395 3990 1 7 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.148 -1.188 19395 3991 1 7 . 1 1 37 37 LEU H H 37 8.016 8.016 7.478 0.538 19395 3992 1 7 . 1 1 38 38 LYS N N 38 117.743 117.743 119.495 -1.752 19395 3993 1 7 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.132 -0.034 19395 3994 1 7 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.218 0.086 19395 3995 1 7 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.833 -0.564 19395 3996 1 7 . 1 1 38 38 LYS H H 38 8.336 8.336 7.892 0.444 19395 3997 1 7 . 1 1 39 39 LYS N N 39 122.164 122.164 117.954 4.210 19395 3998 1 7 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.117 0.039 19395 3999 1 7 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.772 0.661 19395 4000 1 7 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.151 0.260 19395 4001 1 7 . 1 1 39 39 LYS H H 39 8.113 8.113 8.174 -0.061 19395 4002 1 7 . 1 1 40 40 TYR N N 40 114.347 114.347 119.633 -5.286 19395 4003 1 7 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.353 0.042 19395 4004 1 7 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.704 -0.054 19395 4005 1 7 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.368 1.327 19395 4006 1 7 . 1 1 40 40 TYR H H 40 7.626 7.626 8.036 -0.410 19395 4007 1 7 . 1 1 41 41 GLY N N 41 109.921 109.921 104.459 5.462 19395 4008 1 7 . 1 1 41 41 GLY CA C 41 46.766 46.766 44.944 1.822 19395 4009 1 7 . 1 1 41 41 GLY H H 41 7.878 7.878 7.364 0.514 19395 4010 1 7 . 1 1 42 42 ALA N N 42 123.757 123.757 123.291 0.466 19395 4011 1 7 . 1 1 42 42 ALA HA H 42 5.158 5.158 5.000 0.158 19395 4012 1 7 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.875 0.263 19395 4013 1 7 . 1 1 42 42 ALA CB C 42 19.909 19.909 20.556 -0.647 19395 4014 1 7 . 1 1 42 42 ALA H H 42 8.544 8.544 8.184 0.360 19395 4015 1 7 . 1 1 43 43 THR N N 43 109.574 109.574 114.739 -5.165 19395 4016 1 7 . 1 1 43 43 THR HA H 43 4.479 4.479 4.395 0.084 19395 4017 1 7 . 1 1 43 43 THR CA C 43 61.144 61.144 61.649 -0.505 19395 4018 1 7 . 1 1 43 43 THR CB C 43 69.180 69.180 68.298 0.882 19395 4019 1 7 . 1 1 43 43 THR H H 43 7.969 7.969 8.232 -0.263 19395 4020 1 7 . 1 1 44 44 THR N N 44 118.101 118.101 116.742 1.359 19395 4021 1 7 . 1 1 44 44 THR HA H 44 5.226 5.226 5.038 0.188 19395 4022 1 7 . 1 1 44 44 THR CA C 44 62.061 62.061 61.544 0.517 19395 4023 1 7 . 1 1 44 44 THR CB C 44 72.595 72.595 72.115 0.480 19395 4024 1 7 . 1 1 44 44 THR H H 44 7.458 7.458 7.486 -0.028 19395 4025 1 7 . 1 1 45 45 VAL N N 45 127.571 127.571 124.408 3.163 19395 4026 1 7 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.451 0.251 19395 4027 1 7 . 1 1 45 45 VAL CA C 45 60.504 60.504 60.609 -0.105 19395 4028 1 7 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.655 2.527 19395 4029 1 7 . 1 1 45 45 VAL H H 45 9.398 9.398 9.021 0.377 19395 4030 1 7 . 1 1 46 46 VAL N N 46 129.011 129.011 121.810 7.201 19395 4031 1 7 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.287 0.043 19395 4032 1 7 . 1 1 46 46 VAL CA C 46 61.517 61.517 61.592 -0.075 19395 4033 1 7 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.948 2.284 19395 4034 1 7 . 1 1 46 46 VAL H H 46 9.342 9.342 9.000 0.342 19395 4035 1 7 . 1 1 47 47 ARG N N 47 129.852 129.852 118.454 11.398 19395 4036 1 7 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.044 0.251 19395 4037 1 7 . 1 1 47 47 ARG CA C 47 56.019 56.019 56.937 -0.918 19395 4038 1 7 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.116 0.702 19395 4039 1 7 . 1 1 47 47 ARG H H 47 9.037 9.037 7.862 1.175 19395 4040 1 7 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.773 -0.839 19395 4041 1 7 . 1 1 49 49 CYS CA C 49 55.688 55.688 56.940 -1.252 19395 4042 1 7 . 1 1 49 49 CYS CB C 49 41.121 41.121 29.132 11.989 19395 4043 1 7 . 1 1 50 50 GLU N N 50 114.931 114.931 122.119 -7.188 19395 4044 1 7 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.303 -0.217 19395 4045 1 7 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.233 0.068 19395 4046 1 7 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.878 1.567 19395 4047 1 7 . 1 1 50 50 GLU H H 50 8.669 8.669 8.517 0.152 19395 4048 1 7 . 1 1 51 51 VAL N N 51 122.453 122.453 118.826 3.627 19395 4049 1 7 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.099 -0.678 19395 4050 1 7 . 1 1 51 51 VAL CA C 51 64.120 64.120 61.998 2.122 19395 4051 1 7 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.354 -0.324 19395 4052 1 7 . 1 1 51 51 VAL H H 51 8.356 8.356 7.874 0.482 19395 4053 1 7 . 1 1 52 52 THR N N 52 118.382 118.382 114.412 3.970 19395 4054 1 7 . 1 1 52 52 THR HA H 52 4.525 4.525 4.475 0.050 19395 4055 1 7 . 1 1 52 52 THR CA C 52 61.197 61.197 61.608 -0.411 19395 4056 1 7 . 1 1 52 52 THR CB C 52 69.429 69.429 68.745 0.684 19395 4057 1 7 . 1 1 52 52 THR H H 52 8.936 8.936 8.023 0.913 19395 4058 1 7 . 1 1 53 53 TYR N N 53 116.747 116.747 119.925 -3.178 19395 4059 1 7 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.776 -0.014 19395 4060 1 7 . 1 1 53 53 TYR CA C 53 55.653 55.653 57.402 -1.749 19395 4061 1 7 . 1 1 53 53 TYR CB C 53 39.833 39.833 40.401 -0.568 19395 4062 1 7 . 1 1 53 53 TYR H H 53 7.040 7.040 7.761 -0.721 19395 4063 1 7 . 1 1 54 54 ASP N N 54 123.720 123.720 124.270 -0.550 19395 4064 1 7 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.337 0.171 19395 4065 1 7 . 1 1 54 54 ASP CA C 54 53.571 53.571 53.553 0.018 19395 4066 1 7 . 1 1 54 54 ASP CB C 54 41.364 41.364 41.963 -0.599 19395 4067 1 7 . 1 1 54 54 ASP H H 54 9.280 9.280 8.188 1.092 19395 4068 1 7 . 1 1 55 55 LYS N N 55 121.455 121.455 122.964 -1.509 19395 4069 1 7 . 1 1 55 55 LYS HA H 55 4.519 4.519 3.835 0.684 19395 4070 1 7 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.840 0.104 19395 4071 1 7 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.844 1.096 19395 4072 1 7 . 1 1 55 55 LYS H H 55 8.497 8.497 8.146 0.351 19395 4073 1 7 . 1 1 56 56 THR N N 56 120.743 120.743 118.799 1.944 19395 4074 1 7 . 1 1 56 56 THR HA H 56 4.120 4.120 4.585 -0.465 19395 4075 1 7 . 1 1 56 56 THR CA C 56 68.652 68.652 63.192 5.460 19395 4076 1 7 . 1 1 56 56 THR CB C 56 66.508 66.508 68.133 -1.625 19395 4077 1 7 . 1 1 56 56 THR H H 56 8.701 8.701 8.469 0.232 19395 4078 1 7 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.449 -0.158 19395 4079 1 7 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.407 0.425 19395 4080 1 7 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.426 -0.036 19395 4081 1 7 . 1 1 58 58 LEU N N 58 116.313 116.313 118.436 -2.123 19395 4082 1 7 . 1 1 58 58 LEU HA H 58 4.054 4.054 3.984 0.070 19395 4083 1 7 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.674 1.468 19395 4084 1 7 . 1 1 58 58 LEU CB C 58 40.354 40.354 39.851 0.503 19395 4085 1 7 . 1 1 58 58 LEU H H 58 7.170 7.170 8.429 -1.259 19395 4086 1 7 . 1 1 59 59 GLU N N 59 120.470 120.470 119.545 0.925 19395 4087 1 7 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.055 0.336 19395 4088 1 7 . 1 1 59 59 GLU CA C 59 59.104 59.104 59.241 -0.137 19395 4089 1 7 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.432 -0.106 19395 4090 1 7 . 1 1 59 59 GLU H H 59 7.794 7.794 8.634 -0.840 19395 4091 1 7 . 1 1 60 60 LYS N N 60 119.911 119.911 118.666 1.245 19395 4092 1 7 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.252 -0.144 19395 4093 1 7 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.317 1.238 19395 4094 1 7 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.108 -0.045 19395 4095 1 7 . 1 1 60 60 LYS H H 60 8.246 8.246 7.881 0.365 19395 4096 1 7 . 1 1 61 61 ASP N N 61 119.142 119.142 117.699 1.443 19395 4097 1 7 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.696 0.274 19395 4098 1 7 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.253 -0.474 19395 4099 1 7 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.718 1.169 19395 4100 1 7 . 1 1 61 61 ASP H H 61 7.235 7.235 7.577 -0.342 19395 4101 1 7 . 1 1 62 62 GLY N N 62 105.820 105.820 107.656 -1.836 19395 4102 1 7 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.924 0.118 19395 4103 1 7 . 1 1 62 62 GLY H H 62 7.742 7.742 7.541 0.201 19395 4104 1 7 . 1 1 63 63 ILE N N 63 123.074 123.074 119.656 3.418 19395 4105 1 7 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.128 0.210 19395 4106 1 7 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.278 -0.748 19395 4107 1 7 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.460 -0.942 19395 4108 1 7 . 1 1 63 63 ILE H H 63 7.870 7.870 7.709 0.161 19395 4109 1 7 . 1 1 64 64 THR N N 64 123.510 123.510 122.424 1.086 19395 4110 1 7 . 1 1 64 64 THR HA H 64 4.316 4.316 4.327 -0.011 19395 4111 1 7 . 1 1 64 64 THR CA C 64 63.015 63.015 62.384 0.631 19395 4112 1 7 . 1 1 64 64 THR CB C 64 70.376 70.376 69.107 1.269 19395 4113 1 7 . 1 1 64 64 THR H H 64 8.200 8.200 8.713 -0.513 19395 4114 1 7 . 1 1 65 65 VAL N N 65 128.299 128.299 127.711 0.588 19395 4115 1 7 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.120 0.928 19395 4116 1 7 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.194 -1.147 19395 4117 1 7 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.293 0.824 19395 4118 1 7 . 1 1 65 65 VAL H H 65 8.919 8.919 8.644 0.275 19395 4119 1 7 . 1 1 66 66 VAL N N 66 129.962 129.962 129.050 0.912 19395 4120 1 7 . 1 1 66 66 VAL HA H 66 3.927 3.927 3.859 0.068 19395 4121 1 7 . 1 1 66 66 VAL CA C 66 60.683 60.683 61.230 -0.547 19395 4122 1 7 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.294 2.326 19395 4123 1 7 . 1 1 66 66 VAL H H 66 9.145 9.145 7.986 1.159 19395 4124 1 7 . 1 1 67 67 ASP N N 67 126.437 126.437 123.936 2.501 19395 4125 1 7 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.672 0.647 19395 4126 1 7 . 1 1 67 67 ASP CA C 67 54.170 54.170 51.927 2.243 19395 4127 1 7 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.386 1.685 19395 4128 1 7 . 1 1 67 67 ASP H H 67 8.099 8.099 7.151 0.948 19395 4129 1 7 . 1 1 68 68 TRP N N 68 125.863 125.863 121.241 4.622 19395 4130 1 7 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.834 0.706 19395 4131 1 7 . 1 1 68 68 TRP CA C 68 51.631 51.631 53.939 -2.308 19395 4132 1 7 . 1 1 68 68 TRP CB C 68 30.303 30.303 31.825 -1.522 19395 4133 1 7 . 1 1 68 68 TRP H H 68 8.305 8.305 7.523 0.782 19395 4134 1 7 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.664 -0.679 19395 4135 1 7 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.180 -0.237 19395 4136 1 7 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.659 0.885 19395 4137 1 7 . 1 1 70 70 PHE N N 70 113.153 113.153 119.767 -6.614 19395 4138 1 7 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.348 0.412 19395 4139 1 7 . 1 1 70 70 PHE CA C 70 56.067 56.067 58.061 -1.994 19395 4140 1 7 . 1 1 70 70 PHE CB C 70 39.334 39.334 38.379 0.955 19395 4141 1 7 . 1 1 70 70 PHE H H 70 7.237 7.237 8.700 -1.463 19395 4142 1 7 . 1 1 71 71 ASP N N 71 120.632 120.632 121.350 -0.718 19395 4143 1 7 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.586 -0.304 19395 4144 1 7 . 1 1 71 71 ASP CA C 71 55.907 55.907 54.545 1.361 19395 4145 1 7 . 1 1 71 71 ASP CB C 71 41.099 41.099 39.423 1.676 19395 4146 1 7 . 1 1 71 71 ASP H H 71 8.514 8.514 8.162 0.352 19395 4147 1 7 . 1 1 73 73 GLY H H 73 8.510 8.510 8.168 0.342 19395 4148 1 7 . 1 1 74 74 ALA N N 74 123.138 123.138 124.858 -1.720 19395 4149 1 7 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.193 0.647 19395 4150 1 7 . 1 1 74 74 ALA CA C 74 50.106 50.106 52.016 -1.910 19395 4151 1 7 . 1 1 74 74 ALA CB C 74 20.264 20.264 18.240 2.024 19395 4152 1 7 . 1 1 74 74 ALA H H 74 7.833 7.833 7.890 -0.057 19395 4153 1 7 . 1 1 75 75 PRO CB C 75 31.456 31.456 30.966 0.490 19395 4154 1 7 . 1 1 79 79 LYS N N 79 119.944 119.944 119.019 0.925 19395 4155 1 7 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.254 -0.314 19395 4156 1 7 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.572 1.252 19395 4157 1 7 . 1 1 79 79 LYS CB C 79 32.310 32.310 33.047 -0.737 19395 4158 1 7 . 1 1 79 79 LYS H H 79 8.425 8.425 7.258 1.167 19395 4159 1 7 . 1 1 80 80 VAL N N 80 116.231 116.231 119.977 -3.746 19395 4160 1 7 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.874 -0.479 19395 4161 1 7 . 1 1 80 80 VAL CA C 80 64.913 64.913 65.695 -0.782 19395 4162 1 7 . 1 1 80 80 VAL CB C 80 31.293 31.293 31.180 0.113 19395 4163 1 7 . 1 1 80 80 VAL H H 80 6.338 6.338 7.950 -1.612 19395 4164 1 7 . 1 1 81 81 VAL N N 81 118.082 118.082 116.447 1.635 19395 4165 1 7 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.623 -0.438 19395 4166 1 7 . 1 1 81 81 VAL CA C 81 68.624 68.624 65.885 2.739 19395 4167 1 7 . 1 1 81 81 VAL CB C 81 31.645 31.645 30.656 0.989 19395 4168 1 7 . 1 1 81 81 VAL H H 81 7.362 7.362 7.513 -0.151 19395 4169 1 7 . 1 1 82 82 GLU N N 82 117.196 117.196 119.637 -2.441 19395 4170 1 7 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.953 -0.017 19395 4171 1 7 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.965 -0.471 19395 4172 1 7 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.118 0.333 19395 4173 1 7 . 1 1 82 82 GLU H H 82 7.878 7.878 7.717 0.161 19395 4174 1 7 . 1 1 83 83 ASP N N 83 121.828 121.828 120.251 1.577 19395 4175 1 7 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.159 0.080 19395 4176 1 7 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.427 0.852 19395 4177 1 7 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.061 -0.912 19395 4178 1 7 . 1 1 83 83 ASP H H 83 8.156 8.156 7.414 0.742 19395 4179 1 7 . 1 1 84 84 TRP N N 84 124.374 124.374 122.237 2.137 19395 4180 1 7 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.146 0.778 19395 4181 1 7 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.881 -0.859 19395 4182 1 7 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.725 0.085 19395 4183 1 7 . 1 1 84 84 TRP H H 84 8.939 8.939 8.236 0.703 19395 4184 1 7 . 1 1 85 85 LEU N N 85 117.918 117.918 116.908 1.010 19395 4185 1 7 . 1 1 85 85 LEU HA H 85 3.760 3.760 3.945 -0.185 19395 4186 1 7 . 1 1 85 85 LEU CA C 85 57.998 57.998 58.401 -0.404 19395 4187 1 7 . 1 1 85 85 LEU CB C 85 41.329 41.329 41.439 -0.110 19395 4188 1 7 . 1 1 85 85 LEU H H 85 8.723 8.723 8.072 0.651 19395 4189 1 7 . 1 1 86 86 SER N N 86 114.182 114.182 115.275 -1.093 19395 4190 1 7 . 1 1 86 86 SER HA H 86 4.187 4.187 4.192 -0.005 19395 4191 1 7 . 1 1 86 86 SER CA C 86 61.997 61.997 62.072 -0.075 19395 4192 1 7 . 1 1 86 86 SER CB C 86 62.984 62.984 62.921 0.063 19395 4193 1 7 . 1 1 86 86 SER H H 86 8.067 8.067 8.133 -0.066 19395 4194 1 7 . 1 1 87 87 LEU N N 87 125.441 125.441 123.033 2.408 19395 4195 1 7 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.074 0.136 19395 4196 1 7 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.221 0.716 19395 4197 1 7 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.569 1.010 19395 4198 1 7 . 1 1 87 87 LEU H H 87 8.300 8.300 8.213 0.087 19395 4199 1 7 . 1 1 88 88 VAL N N 88 116.784 116.784 119.313 -2.529 19395 4200 1 7 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.672 -0.606 19395 4201 1 7 . 1 1 88 88 VAL CA C 88 66.385 66.385 67.171 -0.786 19395 4202 1 7 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.343 -0.579 19395 4203 1 7 . 1 1 88 88 VAL H H 88 8.468 8.468 7.978 0.490 19395 4204 1 7 . 1 1 89 89 LYS N N 89 118.569 118.569 119.674 -1.105 19395 4205 1 7 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.387 -0.362 19395 4206 1 7 . 1 1 89 89 LYS CA C 89 59.476 59.476 59.105 0.371 19395 4207 1 7 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.431 0.425 19395 4208 1 7 . 1 1 89 89 LYS H H 89 7.652 7.652 8.463 -0.811 19395 4209 1 7 . 1 1 90 90 ALA N N 90 119.043 119.043 121.647 -2.604 19395 4210 1 7 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.263 -0.112 19395 4211 1 7 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.911 1.134 19395 4212 1 7 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.679 -1.225 19395 4213 1 7 . 1 1 90 90 ALA H H 90 7.616 7.616 7.901 -0.285 19395 4214 1 7 . 1 1 91 91 LYS N N 91 117.654 117.654 120.448 -2.794 19395 4215 1 7 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.898 0.039 19395 4216 1 7 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.167 -1.413 19395 4217 1 7 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.947 -1.784 19395 4218 1 7 . 1 1 91 91 LYS H H 91 8.658 8.658 8.641 0.017 19395 4219 1 7 . 1 1 92 92 PHE N N 92 113.471 113.471 118.680 -5.209 19395 4220 1 7 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.376 0.243 19395 4221 1 7 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.065 -0.470 19395 4222 1 7 . 1 1 92 92 PHE CB C 92 37.684 37.684 38.959 -1.275 19395 4223 1 7 . 1 1 92 92 PHE H H 92 7.472 7.472 8.366 -0.894 19395 4224 1 7 . 1 1 93 93 CYS N N 93 117.138 117.138 118.668 -1.530 19395 4225 1 7 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.752 0.611 19395 4226 1 7 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.832 2.132 19395 4227 1 7 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.857 -0.379 19395 4228 1 7 . 1 1 93 93 CYS H H 93 7.562 7.562 7.346 0.216 19395 4229 1 7 . 1 1 94 94 GLU N N 94 118.594 118.594 119.897 -1.303 19395 4230 1 7 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.313 -0.186 19395 4231 1 7 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.508 1.533 19395 4232 1 7 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.170 -0.097 19395 4233 1 7 . 1 1 94 94 GLU H H 94 8.236 8.236 8.367 -0.131 19395 4234 1 7 . 1 1 95 95 ALA N N 95 121.081 121.081 122.843 -1.762 19395 4235 1 7 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.736 0.141 19395 4236 1 7 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.234 0.135 19395 4237 1 7 . 1 1 95 95 ALA CB C 95 18.124 18.124 20.667 -2.543 19395 4238 1 7 . 1 1 95 95 ALA H H 95 7.898 7.898 7.845 0.053 19395 4239 1 7 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.396 0.427 19395 4240 1 7 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.291 0.676 19395 4241 1 7 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.425 1.131 19395 4242 1 7 . 1 1 97 97 GLY N N 97 113.478 113.478 114.323 -0.845 19395 4243 1 7 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.915 -0.216 19395 4244 1 7 . 1 1 97 97 GLY H H 97 9.198 9.198 8.421 0.777 19395 4245 1 7 . 1 1 98 98 SER N N 98 115.643 115.643 114.517 1.126 19395 4246 1 7 . 1 1 98 98 SER HA H 98 4.560 4.560 4.259 0.301 19395 4247 1 7 . 1 1 98 98 SER CA C 98 58.923 58.923 59.949 -1.026 19395 4248 1 7 . 1 1 98 98 SER CB C 98 64.427 64.427 64.061 0.366 19395 4249 1 7 . 1 1 98 98 SER H H 98 8.066 8.066 7.902 0.164 19395 4250 1 7 . 1 1 99 99 CYS N N 99 115.484 115.484 116.714 -1.230 19395 4251 1 7 . 1 1 99 99 CYS HA H 99 5.397 5.397 4.941 0.456 19395 4252 1 7 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.434 -1.647 19395 4253 1 7 . 1 1 99 99 CYS CB C 99 29.985 29.985 31.605 -1.620 19395 4254 1 7 . 1 1 99 99 CYS H H 99 7.532 7.532 8.113 -0.581 19395 4255 1 7 . 1 1 100 100 VAL N N 100 128.065 128.065 116.828 11.237 19395 4256 1 7 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.294 0.014 19395 4257 1 7 . 1 1 100 100 VAL CA C 100 61.631 61.631 60.009 1.622 19395 4258 1 7 . 1 1 100 100 VAL CB C 100 34.384 34.384 32.364 2.020 19395 4259 1 7 . 1 1 100 100 VAL H H 100 8.392 8.392 8.139 0.253 19395 4260 1 7 . 1 1 101 101 ALA N N 101 130.346 130.346 130.127 0.219 19395 4261 1 7 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.935 0.825 19395 4262 1 7 . 1 1 101 101 ALA CA C 101 50.101 50.101 51.342 -1.241 19395 4263 1 7 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.367 1.751 19395 4264 1 7 . 1 1 101 101 ALA H H 101 8.882 8.882 8.243 0.639 19395 4265 1 7 . 1 1 102 102 VAL N N 102 120.866 120.866 118.766 2.100 19395 4266 1 7 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.655 0.968 19395 4267 1 7 . 1 1 102 102 VAL CA C 102 58.795 58.795 60.383 -1.588 19395 4268 1 7 . 1 1 102 102 VAL CB C 102 35.140 35.140 36.356 -1.216 19395 4269 1 7 . 1 1 102 102 VAL H H 102 9.359 9.359 8.824 0.535 19395 4270 1 7 . 1 1 103 103 HIS N N 103 120.019 120.019 123.176 -3.157 19395 4271 1 7 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.834 -0.051 19395 4272 1 7 . 1 1 103 103 HIS CA C 103 55.292 55.292 56.511 -1.219 19395 4273 1 7 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.977 2.055 19395 4274 1 7 . 1 1 103 103 HIS H H 103 8.749 8.749 8.586 0.163 19395 4275 1 7 . 1 1 104 104 CYS N N 104 118.175 118.175 125.435 -7.260 19395 4276 1 7 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.749 -0.052 19395 4277 1 7 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.180 -0.915 19395 4278 1 7 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.856 2.323 19395 4279 1 7 . 1 1 104 104 CYS H H 104 8.428 8.428 8.090 0.338 19395 4280 1 7 . 1 1 105 105 VAL N N 105 125.962 125.962 124.336 1.626 19395 4281 1 7 . 1 1 105 105 VAL HA H 105 4.219 4.219 3.986 0.233 19395 4282 1 7 . 1 1 105 105 VAL CA C 105 66.483 66.483 64.058 2.425 19395 4283 1 7 . 1 1 105 105 VAL CB C 105 32.383 32.383 31.256 1.127 19395 4284 1 7 . 1 1 105 105 VAL H H 105 8.422 8.422 8.401 0.021 19395 4285 1 7 . 1 1 106 106 ALA N N 106 123.180 123.180 121.593 1.587 19395 4286 1 7 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.335 0.360 19395 4287 1 7 . 1 1 106 106 ALA CA C 106 52.862 52.862 52.400 0.462 19395 4288 1 7 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.275 0.848 19395 4289 1 7 . 1 1 106 106 ALA H H 106 9.997 9.997 8.345 1.652 19395 4290 1 7 . 1 1 107 107 GLY N N 107 109.076 109.076 106.428 2.648 19395 4291 1 7 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.631 1.988 19395 4292 1 7 . 1 1 107 107 GLY H H 107 8.019 8.019 7.814 0.205 19395 4293 1 7 . 1 1 108 108 LEU N N 108 117.413 117.413 123.378 -5.965 19395 4294 1 7 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.775 0.689 19395 4295 1 7 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.359 0.423 19395 4296 1 7 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.634 4.186 19395 4297 1 7 . 1 1 108 108 LEU H H 108 7.598 7.598 8.377 -0.779 19395 4298 1 7 . 1 1 109 109 GLY N N 109 111.143 111.143 106.940 4.203 19395 4299 1 7 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.769 -0.128 19395 4300 1 7 . 1 1 109 109 GLY H H 109 10.576 10.576 8.751 1.825 19395 4301 1 7 . 1 1 110 110 ARG N N 110 127.464 127.464 123.391 4.073 19395 4302 1 7 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.799 -0.244 19395 4303 1 7 . 1 1 110 110 ARG CA C 110 60.426 60.426 59.035 1.391 19395 4304 1 7 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.302 2.881 19395 4305 1 7 . 1 1 110 110 ARG H H 110 10.234 10.234 8.402 1.832 19395 4306 1 7 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.276 -0.392 19395 4307 1 7 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.495 1.037 19395 4308 1 7 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.557 -0.648 19395 4309 1 7 . 1 1 113 113 VAL N N 113 116.720 116.720 119.994 -3.274 19395 4310 1 7 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.647 -0.087 19395 4311 1 7 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.908 -0.178 19395 4312 1 7 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.362 -0.839 19395 4313 1 7 . 1 1 113 113 VAL H H 113 8.340 8.340 8.545 -0.205 19395 4314 1 7 . 1 1 114 114 LEU N N 114 119.045 119.045 119.397 -0.352 19395 4315 1 7 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.322 -0.664 19395 4316 1 7 . 1 1 114 114 LEU CA C 114 58.030 58.030 57.922 0.108 19395 4317 1 7 . 1 1 114 114 LEU CB C 114 38.799 38.799 40.476 -1.677 19395 4318 1 7 . 1 1 114 114 LEU H H 114 6.990 6.990 8.658 -1.668 19395 4319 1 7 . 1 1 115 115 VAL N N 115 120.270 120.270 116.409 3.861 19395 4320 1 7 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.531 -0.488 19395 4321 1 7 . 1 1 115 115 VAL CA C 115 67.509 67.509 65.339 2.170 19395 4322 1 7 . 1 1 115 115 VAL CB C 115 30.787 30.787 30.091 0.696 19395 4323 1 7 . 1 1 115 115 VAL H H 115 7.188 7.188 7.828 -0.640 19395 4324 1 7 . 1 1 116 116 ALA N N 116 121.280 121.280 123.052 -1.772 19395 4325 1 7 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.085 -0.324 19395 4326 1 7 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.138 0.719 19395 4327 1 7 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.483 -0.615 19395 4328 1 7 . 1 1 116 116 ALA H H 116 8.649 8.649 8.014 0.635 19395 4329 1 7 . 1 1 117 117 LEU N N 117 116.557 116.557 120.655 -4.098 19395 4330 1 7 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.941 -0.173 19395 4331 1 7 . 1 1 117 117 LEU CA C 117 58.360 58.360 58.053 0.307 19395 4332 1 7 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.758 2.309 19395 4333 1 7 . 1 1 117 117 LEU H H 117 8.048 8.048 7.646 0.402 19395 4334 1 7 . 1 1 118 118 ALA N N 118 119.916 119.916 120.087 -0.171 19395 4335 1 7 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.640 0.429 19395 4336 1 7 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.357 1.007 19395 4337 1 7 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.490 1.137 19395 4338 1 7 . 1 1 118 118 ALA H H 118 7.691 7.691 6.812 0.879 19395 4339 1 7 . 1 1 119 119 LEU N N 119 116.962 116.962 119.596 -2.634 19395 4340 1 7 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.088 -0.213 19395 4341 1 7 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.608 0.816 19395 4342 1 7 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.845 -2.060 19395 4343 1 7 . 1 1 119 119 LEU H H 119 7.988 7.988 7.631 0.357 19395 4344 1 7 . 1 1 120 120 ILE N N 120 123.209 123.209 120.079 3.130 19395 4345 1 7 . 1 1 120 120 ILE HA H 120 4.749 4.749 4.056 0.693 19395 4346 1 7 . 1 1 120 120 ILE CA C 120 64.104 64.104 63.600 0.504 19395 4347 1 7 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.681 1.561 19395 4348 1 7 . 1 1 120 120 ILE H H 120 8.643 8.643 8.228 0.415 19395 4349 1 7 . 1 1 121 121 GLU N N 121 121.219 121.219 118.555 2.664 19395 4350 1 7 . 1 1 121 121 GLU HA H 121 4.508 4.508 4.027 0.481 19395 4351 1 7 . 1 1 121 121 GLU CA C 121 59.139 59.139 58.822 0.317 19395 4352 1 7 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.800 0.433 19395 4353 1 7 . 1 1 121 121 GLU H H 121 8.680 8.680 7.860 0.820 19395 4354 1 7 . 1 1 122 122 SER N N 122 114.306 114.306 112.371 1.935 19395 4355 1 7 . 1 1 122 122 SER HA H 122 4.783 4.783 4.306 0.477 19395 4356 1 7 . 1 1 122 122 SER CA C 122 58.581 58.581 60.301 -1.720 19395 4357 1 7 . 1 1 122 122 SER CB C 122 64.656 64.656 64.022 0.634 19395 4358 1 7 . 1 1 122 122 SER H H 122 7.834 7.834 7.780 0.054 19395 4359 1 7 . 1 1 123 123 GLY N N 123 108.666 108.666 109.155 -0.489 19395 4360 1 7 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.635 0.445 19395 4361 1 7 . 1 1 123 123 GLY H H 123 7.902 7.902 7.774 0.128 19395 4362 1 7 . 1 1 124 124 MET N N 124 123.358 123.358 120.271 3.087 19395 4363 1 7 . 1 1 124 124 MET HA H 124 4.258 4.258 4.690 -0.432 19395 4364 1 7 . 1 1 124 124 MET CA C 124 56.698 56.698 53.487 3.211 19395 4365 1 7 . 1 1 124 124 MET CB C 124 34.104 34.104 35.670 -1.566 19395 4366 1 7 . 1 1 124 124 MET H H 124 7.970 7.970 7.424 0.546 19395 4367 1 7 . 1 1 125 125 LYS N N 125 125.848 125.848 123.858 1.990 19395 4368 1 7 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.404 -0.110 19395 4369 1 7 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.245 0.664 19395 4370 1 7 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.307 0.430 19395 4371 1 7 . 1 1 125 125 LYS H H 125 8.903 8.903 8.424 0.479 19395 4372 1 7 . 1 1 126 126 TYR N N 126 124.016 124.016 128.044 -4.028 19395 4373 1 7 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.980 0.080 19395 4374 1 7 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.498 -0.763 19395 4375 1 7 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.816 0.126 19395 4376 1 7 . 1 1 126 126 TYR H H 126 9.242 9.242 9.174 0.068 19395 4377 1 7 . 1 1 127 127 GLU N N 127 119.702 119.702 118.104 1.598 19395 4378 1 7 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.270 0.123 19395 4379 1 7 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.558 0.657 19395 4380 1 7 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.597 0.388 19395 4381 1 7 . 1 1 127 127 GLU H H 127 9.102 9.102 8.651 0.451 19395 4382 1 7 . 1 1 128 128 ASP N N 128 118.661 118.661 119.099 -0.438 19395 4383 1 7 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.270 0.141 19395 4384 1 7 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.366 -0.792 19395 4385 1 7 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.675 -0.569 19395 4386 1 7 . 1 1 128 128 ASP H H 128 6.782 6.782 8.143 -1.361 19395 4387 1 7 . 1 1 129 129 ALA N N 129 125.068 125.068 122.545 2.523 19395 4388 1 7 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.006 0.221 19395 4389 1 7 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.282 0.130 19395 4390 1 7 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.406 -0.094 19395 4391 1 7 . 1 1 129 129 ALA H H 129 8.365 8.365 8.403 -0.038 19395 4392 1 7 . 1 1 130 130 ILE N N 130 115.533 115.533 119.268 -3.735 19395 4393 1 7 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.612 -0.121 19395 4394 1 7 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.646 1.470 19395 4395 1 7 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.482 0.304 19395 4396 1 7 . 1 1 130 130 ILE H H 130 8.044 8.044 8.126 -0.082 19395 4397 1 7 . 1 1 131 131 GLN N N 131 118.503 118.503 118.374 0.129 19395 4398 1 7 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.942 0.074 19395 4399 1 7 . 1 1 131 131 GLN CA C 131 58.791 58.791 59.108 -0.317 19395 4400 1 7 . 1 1 131 131 GLN CB C 131 28.439 28.439 28.456 -0.017 19395 4401 1 7 . 1 1 131 131 GLN H H 131 7.426 7.426 7.985 -0.559 19395 4402 1 7 . 1 1 132 132 PHE N N 132 120.679 120.679 121.115 -0.436 19395 4403 1 7 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.230 0.093 19395 4404 1 7 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.390 -0.215 19395 4405 1 7 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.120 0.730 19395 4406 1 7 . 1 1 132 132 PHE H H 132 8.416 8.416 7.780 0.636 19395 4407 1 7 . 1 1 133 133 ILE N N 133 116.466 116.466 116.045 0.421 19395 4408 1 7 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.593 -0.104 19395 4409 1 7 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.133 -0.136 19395 4410 1 7 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.786 -0.225 19395 4411 1 7 . 1 1 133 133 ILE H H 133 7.964 7.964 8.006 -0.042 19395 4412 1 7 . 1 1 134 134 ARG N N 134 119.204 119.204 121.766 -2.562 19395 4413 1 7 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.391 -0.069 19395 4414 1 7 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.324 0.836 19395 4415 1 7 . 1 1 134 134 ARG CB C 134 30.212 30.212 30.697 -0.485 19395 4416 1 7 . 1 1 134 134 ARG H H 134 8.449 8.449 8.483 -0.034 19395 4417 1 7 . 1 1 135 135 GLN N N 135 117.511 117.511 119.675 -2.164 19395 4418 1 7 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.078 -0.041 19395 4419 1 7 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.450 -0.113 19395 4420 1 7 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.325 0.114 19395 4421 1 7 . 1 1 135 135 GLN H H 135 7.829 7.829 8.066 -0.237 19395 4422 1 7 . 1 1 136 136 LYS N N 136 116.364 116.364 115.404 0.960 19395 4423 1 7 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.259 0.035 19395 4424 1 7 . 1 1 136 136 LYS CA C 136 56.209 56.209 55.914 0.295 19395 4425 1 7 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.660 0.319 19395 4426 1 7 . 1 1 136 136 LYS H H 136 7.280 7.280 7.592 -0.312 19395 4427 1 7 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.606 -0.761 19395 4428 1 7 . 1 1 140 140 ALA N N 140 121.841 121.841 121.952 -0.111 19395 4429 1 7 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.201 0.155 19395 4430 1 7 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.933 -0.606 19395 4431 1 7 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.866 -0.292 19395 4432 1 7 . 1 1 140 140 ALA H H 140 7.553 7.553 7.529 0.024 19395 4433 1 7 . 1 1 141 141 ILE N N 141 113.228 113.228 117.586 -4.358 19395 4434 1 7 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.073 -0.735 19395 4435 1 7 . 1 1 141 141 ILE CA C 141 65.889 65.889 60.390 5.499 19395 4436 1 7 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.357 -4.169 19395 4437 1 7 . 1 1 141 141 ILE H H 141 8.744 8.744 8.211 0.533 19395 4438 1 7 . 1 1 142 142 ASN N N 142 126.808 126.808 117.865 8.943 19395 4439 1 7 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.480 0.243 19395 4440 1 7 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.790 -3.707 19395 4441 1 7 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.964 -1.034 19395 4442 1 7 . 1 1 142 142 ASN H H 142 8.538 8.538 8.031 0.507 19395 4443 1 7 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.973 0.194 19395 4444 1 7 . 1 1 145 145 GLN N N 145 120.931 120.931 119.223 1.708 19395 4445 1 7 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.052 -0.317 19395 4446 1 7 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.581 0.254 19395 4447 1 7 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.989 -0.186 19395 4448 1 7 . 1 1 145 145 GLN H H 145 8.737 8.737 7.987 0.750 19395 4449 1 7 . 1 1 146 146 LEU N N 146 122.433 122.433 119.383 3.050 19395 4450 1 7 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.156 -0.181 19395 4451 1 7 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.815 0.198 19395 4452 1 7 . 1 1 146 146 LEU CB C 146 41.796 41.796 42.021 -0.225 19395 4453 1 7 . 1 1 146 146 LEU H H 146 8.917 8.917 8.098 0.819 19395 4454 1 7 . 1 1 147 147 THR N N 147 115.378 115.378 112.754 2.624 19395 4455 1 7 . 1 1 147 147 THR HA H 147 3.936 3.936 3.896 0.040 19395 4456 1 7 . 1 1 147 147 THR CA C 147 66.512 66.512 65.966 0.546 19395 4457 1 7 . 1 1 147 147 THR CB C 147 68.865 68.865 68.548 0.317 19395 4458 1 7 . 1 1 147 147 THR H H 147 7.948 7.948 7.796 0.152 19395 4459 1 7 . 1 1 148 148 TYR N N 148 120.402 120.402 123.359 -2.957 19395 4460 1 7 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.119 -0.037 19395 4461 1 7 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.421 -0.226 19395 4462 1 7 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.245 -0.268 19395 4463 1 7 . 1 1 148 148 TYR H H 148 7.366 7.366 8.343 -0.977 19395 4464 1 7 . 1 1 149 149 LEU N N 149 119.957 119.957 118.821 1.136 19395 4465 1 7 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.564 0.164 19395 4466 1 7 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.455 1.086 19395 4467 1 7 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.617 1.946 19395 4468 1 7 . 1 1 149 149 LEU H H 149 7.968 7.968 7.543 0.425 19395 4469 1 7 . 1 1 150 150 GLU N N 150 120.132 120.132 117.552 2.580 19395 4470 1 7 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.566 -1.183 19395 4471 1 7 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.657 -0.195 19395 4472 1 7 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.645 -0.064 19395 4473 1 7 . 1 1 150 150 GLU H H 150 8.305 8.305 7.335 0.970 19395 4474 1 7 . 1 1 151 151 LYS N N 151 114.600 114.600 115.822 -1.222 19395 4475 1 7 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.170 -0.099 19395 4476 1 7 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.978 -1.346 19395 4477 1 7 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.421 -0.474 19395 4478 1 7 . 1 1 151 151 LYS H H 151 7.106 7.106 7.486 -0.380 19395 4479 1 7 . 1 1 152 152 TYR N N 152 123.664 123.664 122.351 1.313 19395 4480 1 7 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.130 -0.355 19395 4481 1 7 . 1 1 152 152 TYR CA C 152 59.659 59.659 57.896 1.763 19395 4482 1 7 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.851 -0.606 19395 4483 1 7 . 1 1 152 152 TYR H H 152 7.187 7.187 7.530 -0.343 19395 4484 1 7 . 1 1 153 153 ARG N N 153 130.321 130.321 124.382 5.939 19395 4485 1 7 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.351 0.414 19395 4486 1 7 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.823 -0.310 19395 4487 1 7 . 1 1 153 153 ARG CB C 153 30.180 30.180 30.699 -0.519 19395 4488 1 7 . 1 1 153 153 ARG H H 153 7.760 7.760 7.787 -0.027 19395 4489 1 7 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.570 0.070 19395 4490 1 7 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.383 -0.328 19395 4491 1 7 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.547 1.056 19395 4492 1 7 . 1 1 155 155 LYS N N 155 122.066 122.066 121.540 0.526 19395 4493 1 7 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.101 0.337 19395 4494 1 7 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.536 -0.613 19395 4495 1 7 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.257 1.186 19395 4496 1 7 . 1 1 155 155 LYS H H 155 9.586 9.586 8.284 1.302 19395 4497 1 7 . 1 1 156 156 GLN N N 156 117.702 117.702 115.889 1.813 19395 4498 1 7 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.014 0.352 19395 4499 1 7 . 1 1 156 156 GLN CA C 156 56.549 56.549 56.702 -0.153 19395 4500 1 7 . 1 1 156 156 GLN CB C 156 26.728 26.728 26.300 0.428 19395 4501 1 7 . 1 1 156 156 GLN H H 156 8.334 8.334 8.053 0.281 19395 4502 1 7 . 1 1 157 157 ARG N N 157 117.466 117.466 118.910 -1.444 19395 4503 1 7 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.234 -0.079 19395 4504 1 7 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.511 0.511 19395 4505 1 7 . 1 1 157 157 ARG CB C 157 30.769 30.769 31.020 -0.251 19395 4506 1 7 . 1 1 157 157 ARG H H 157 8.983 8.983 8.491 0.492 19395 4507 1 7 . 1 1 158 158 LEU N N 158 117.973 117.973 118.216 -0.243 19395 4508 1 7 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.175 0.454 19395 4509 1 7 . 1 1 158 158 LEU CA C 158 53.469 53.469 56.455 -2.986 19395 4510 1 7 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.450 -0.945 19395 4511 1 7 . 1 1 158 158 LEU H H 158 8.123 8.123 7.783 0.340 19395 4512 1 7 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.443 -0.330 19395 4513 1 7 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.299 2.188 19395 4514 1 7 . 1 1 161 161 LYS CB C 161 33.174 33.174 35.029 -1.855 19395 4515 1 7 . 1 1 161 161 LYS H H 161 7.856 7.856 8.586 -0.730 19395 4516 1 8 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.429 -0.082 19395 4517 1 8 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.702 -0.164 19395 4518 1 8 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.450 -0.658 19395 4519 1 8 . 1 1 8 8 ALA N N 8 126.708 126.708 128.051 -1.343 19395 4520 1 8 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.850 -0.239 19395 4521 1 8 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.118 1.190 19395 4522 1 8 . 1 1 8 8 ALA CB C 8 18.205 18.205 18.705 -0.500 19395 4523 1 8 . 1 1 8 8 ALA H H 8 8.399 8.399 8.398 0.001 19395 4524 1 8 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.307 0.344 19395 4525 1 8 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.310 0.273 19395 4526 1 8 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.608 -0.097 19395 4527 1 8 . 1 1 10 10 VAL N N 10 118.581 118.581 119.324 -0.743 19395 4528 1 8 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.345 -0.044 19395 4529 1 8 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.074 -0.241 19395 4530 1 8 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.688 -0.011 19395 4531 1 8 . 1 1 10 10 VAL H H 10 8.025 8.025 7.898 0.127 19395 4532 1 8 . 1 1 11 11 GLU N N 11 129.673 129.673 129.124 0.549 19395 4533 1 8 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.075 0.010 19395 4534 1 8 . 1 1 11 11 GLU CA C 11 54.747 54.747 54.919 -0.172 19395 4535 1 8 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.487 0.642 19395 4536 1 8 . 1 1 11 11 GLU H H 11 8.723 8.723 8.770 -0.047 19395 4537 1 8 . 1 1 12 12 VAL N N 12 127.093 127.093 127.655 -0.562 19395 4538 1 8 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.532 -0.249 19395 4539 1 8 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.094 1.502 19395 4540 1 8 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.529 1.017 19395 4541 1 8 . 1 1 12 12 VAL H H 12 9.247 9.247 9.043 0.204 19395 4542 1 8 . 1 1 13 13 SER N N 13 123.385 123.385 125.200 -1.815 19395 4543 1 8 . 1 1 13 13 SER HA H 13 5.302 5.302 4.845 0.457 19395 4544 1 8 . 1 1 13 13 SER CA C 13 56.409 56.409 58.356 -1.947 19395 4545 1 8 . 1 1 13 13 SER CB C 13 64.981 64.981 63.806 1.175 19395 4546 1 8 . 1 1 13 13 SER H H 13 9.001 9.001 8.703 0.298 19395 4547 1 8 . 1 1 14 14 TYR N N 14 124.413 124.413 127.775 -3.362 19395 4548 1 8 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.564 -0.027 19395 4549 1 8 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.717 0.516 19395 4550 1 8 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.982 1.597 19395 4551 1 8 . 1 1 14 14 TYR H H 14 8.347 8.347 9.060 -0.713 19395 4552 1 8 . 1 1 15 15 LYS N N 15 125.130 125.130 118.927 6.203 19395 4553 1 8 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.857 -0.458 19395 4554 1 8 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.387 -0.013 19395 4555 1 8 . 1 1 15 15 LYS CB C 15 29.894 29.894 31.855 -1.960 19395 4556 1 8 . 1 1 15 15 LYS H H 15 8.820 8.820 8.083 0.737 19395 4557 1 8 . 1 1 16 16 HIS N N 16 121.278 121.278 116.816 4.462 19395 4558 1 8 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.705 -0.255 19395 4559 1 8 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.220 1.518 19395 4560 1 8 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.928 0.301 19395 4561 1 8 . 1 1 16 16 HIS H H 16 8.784 8.784 8.027 0.757 19395 4562 1 8 . 1 1 17 17 MET N N 17 120.113 120.113 114.595 5.518 19395 4563 1 8 . 1 1 17 17 MET HA H 17 2.326 2.326 4.842 -2.516 19395 4564 1 8 . 1 1 17 17 MET CA C 17 54.714 54.714 55.177 -0.463 19395 4565 1 8 . 1 1 17 17 MET CB C 17 34.848 34.848 35.789 -0.941 19395 4566 1 8 . 1 1 17 17 MET H H 17 8.106 8.106 7.472 0.634 19395 4567 1 8 . 1 1 18 18 ARG N N 18 121.252 121.252 119.943 1.309 19395 4568 1 8 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.367 -0.528 19395 4569 1 8 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.407 0.387 19395 4570 1 8 . 1 1 18 18 ARG CB C 18 33.816 33.816 34.094 -0.279 19395 4571 1 8 . 1 1 18 18 ARG H H 18 5.904 5.904 8.644 -2.740 19395 4572 1 8 . 1 1 19 19 PHE N N 19 121.195 121.195 121.986 -0.791 19395 4573 1 8 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.212 0.788 19395 4574 1 8 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.919 -0.301 19395 4575 1 8 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.929 -0.313 19395 4576 1 8 . 1 1 19 19 PHE H H 19 9.178 9.178 9.328 -0.150 19395 4577 1 8 . 1 1 20 20 LEU N N 20 123.804 123.804 122.450 1.354 19395 4578 1 8 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.220 -0.110 19395 4579 1 8 . 1 1 20 20 LEU CA C 20 52.568 52.568 53.777 -1.209 19395 4580 1 8 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.762 2.121 19395 4581 1 8 . 1 1 20 20 LEU H H 20 8.601 8.601 9.223 -0.622 19395 4582 1 8 . 1 1 21 21 ILE N N 21 126.661 126.661 123.325 3.336 19395 4583 1 8 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.269 -0.138 19395 4584 1 8 . 1 1 21 21 ILE CA C 21 60.828 60.828 59.130 1.698 19395 4585 1 8 . 1 1 21 21 ILE CB C 21 38.209 38.209 36.910 1.299 19395 4586 1 8 . 1 1 21 21 ILE H H 21 9.323 9.323 9.083 0.240 19395 4587 1 8 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.470 -0.141 19395 4588 1 8 . 1 1 25 25 PRO CA C 25 61.818 61.818 64.047 -2.229 19395 4589 1 8 . 1 1 25 25 PRO CB C 25 32.524 32.524 32.186 0.338 19395 4590 1 8 . 1 1 26 26 THR N N 26 131.812 131.812 117.336 14.476 19395 4591 1 8 . 1 1 26 26 THR H H 26 6.781 6.781 8.157 -1.376 19395 4592 1 8 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.218 0.126 19395 4593 1 8 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.823 0.198 19395 4594 1 8 . 1 1 28 28 ALA CB C 28 19.183 19.183 18.883 0.300 19395 4595 1 8 . 1 1 29 29 THR N N 29 104.375 104.375 111.668 -7.293 19395 4596 1 8 . 1 1 29 29 THR HA H 29 4.847 4.847 4.249 0.598 19395 4597 1 8 . 1 1 29 29 THR CA C 29 60.370 60.370 61.861 -1.491 19395 4598 1 8 . 1 1 29 29 THR CB C 29 69.135 69.135 70.056 -0.921 19395 4599 1 8 . 1 1 29 29 THR H H 29 7.642 7.642 7.586 0.056 19395 4600 1 8 . 1 1 30 30 LEU N N 30 124.383 124.383 119.336 5.047 19395 4601 1 8 . 1 1 30 30 LEU HA H 30 4.013 4.013 3.910 0.103 19395 4602 1 8 . 1 1 30 30 LEU CA C 30 57.711 57.711 55.834 1.877 19395 4603 1 8 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.660 1.694 19395 4604 1 8 . 1 1 30 30 LEU H H 30 7.356 7.356 8.141 -0.785 19395 4605 1 8 . 1 1 31 31 SER N N 31 111.792 111.792 114.671 -2.879 19395 4606 1 8 . 1 1 31 31 SER H H 31 6.915 6.915 7.664 -0.749 19395 4607 1 8 . 1 1 32 32 THR N N 32 116.374 116.374 116.528 -0.154 19395 4608 1 8 . 1 1 32 32 THR HA H 32 4.109 4.109 4.149 -0.040 19395 4609 1 8 . 1 1 32 32 THR CA C 32 65.142 65.142 65.185 -0.043 19395 4610 1 8 . 1 1 32 32 THR CB C 32 68.628 68.628 68.691 -0.063 19395 4611 1 8 . 1 1 32 32 THR H H 32 7.589 7.589 8.333 -0.744 19395 4612 1 8 . 1 1 33 33 PHE N N 33 124.790 124.790 123.288 1.502 19395 4613 1 8 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.135 0.340 19395 4614 1 8 . 1 1 33 33 PHE CA C 33 61.050 61.050 61.393 -0.343 19395 4615 1 8 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.901 0.938 19395 4616 1 8 . 1 1 33 33 PHE H H 33 7.644 7.644 7.933 -0.289 19395 4617 1 8 . 1 1 34 34 ILE N N 34 117.776 117.776 117.812 -0.036 19395 4618 1 8 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.674 -0.327 19395 4619 1 8 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.601 1.421 19395 4620 1 8 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.602 -5.956 19395 4621 1 8 . 1 1 34 34 ILE H H 34 8.535 8.535 7.825 0.710 19395 4622 1 8 . 1 1 35 35 GLU N N 35 119.202 119.202 119.114 0.088 19395 4623 1 8 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.953 -0.026 19395 4624 1 8 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.677 0.069 19395 4625 1 8 . 1 1 35 35 GLU CB C 35 29.375 29.375 29.024 0.351 19395 4626 1 8 . 1 1 35 35 GLU H H 35 7.512 7.512 7.730 -0.218 19395 4627 1 8 . 1 1 36 36 ASP N N 36 121.117 121.117 120.566 0.551 19395 4628 1 8 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.485 0.069 19395 4629 1 8 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.246 0.692 19395 4630 1 8 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.729 -0.610 19395 4631 1 8 . 1 1 36 36 ASP H H 36 8.049 8.049 8.288 -0.239 19395 4632 1 8 . 1 1 37 37 LEU N N 37 119.257 119.257 116.570 2.687 19395 4633 1 8 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.246 -0.493 19395 4634 1 8 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.691 0.812 19395 4635 1 8 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.329 -1.369 19395 4636 1 8 . 1 1 37 37 LEU H H 37 8.016 8.016 7.598 0.418 19395 4637 1 8 . 1 1 38 38 LYS N N 38 117.743 117.743 119.796 -2.053 19395 4638 1 8 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.147 -0.049 19395 4639 1 8 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.383 -0.078 19395 4640 1 8 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.758 -0.490 19395 4641 1 8 . 1 1 38 38 LYS H H 38 8.336 8.336 8.191 0.145 19395 4642 1 8 . 1 1 39 39 LYS N N 39 122.164 122.164 117.854 4.310 19395 4643 1 8 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.107 0.049 19395 4644 1 8 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.784 0.649 19395 4645 1 8 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.093 0.319 19395 4646 1 8 . 1 1 39 39 LYS H H 39 8.113 8.113 8.216 -0.103 19395 4647 1 8 . 1 1 40 40 TYR N N 40 114.347 114.347 119.021 -4.674 19395 4648 1 8 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.404 -0.009 19395 4649 1 8 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.242 0.408 19395 4650 1 8 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.449 1.247 19395 4651 1 8 . 1 1 40 40 TYR H H 40 7.626 7.626 7.945 -0.319 19395 4652 1 8 . 1 1 41 41 GLY N N 41 109.921 109.921 105.453 4.468 19395 4653 1 8 . 1 1 41 41 GLY CA C 41 46.766 46.766 45.058 1.708 19395 4654 1 8 . 1 1 41 41 GLY H H 41 7.878 7.878 7.501 0.377 19395 4655 1 8 . 1 1 42 42 ALA N N 42 123.757 123.757 123.209 0.548 19395 4656 1 8 . 1 1 42 42 ALA HA H 42 5.158 5.158 4.898 0.260 19395 4657 1 8 . 1 1 42 42 ALA CA C 42 51.138 51.138 51.550 -0.412 19395 4658 1 8 . 1 1 42 42 ALA CB C 42 19.909 19.909 19.943 -0.034 19395 4659 1 8 . 1 1 42 42 ALA H H 42 8.544 8.544 7.972 0.572 19395 4660 1 8 . 1 1 43 43 THR N N 43 109.574 109.574 115.168 -5.594 19395 4661 1 8 . 1 1 43 43 THR HA H 43 4.479 4.479 4.434 0.045 19395 4662 1 8 . 1 1 43 43 THR CA C 43 61.144 61.144 61.283 -0.139 19395 4663 1 8 . 1 1 43 43 THR CB C 43 69.180 69.180 68.701 0.479 19395 4664 1 8 . 1 1 43 43 THR H H 43 7.969 7.969 8.408 -0.439 19395 4665 1 8 . 1 1 44 44 THR N N 44 118.101 118.101 116.740 1.361 19395 4666 1 8 . 1 1 44 44 THR HA H 44 5.226 5.226 4.870 0.356 19395 4667 1 8 . 1 1 44 44 THR CA C 44 62.061 62.061 61.967 0.094 19395 4668 1 8 . 1 1 44 44 THR CB C 44 72.595 72.595 72.437 0.158 19395 4669 1 8 . 1 1 44 44 THR H H 44 7.458 7.458 7.205 0.253 19395 4670 1 8 . 1 1 45 45 VAL N N 45 127.571 127.571 124.340 3.231 19395 4671 1 8 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.616 0.086 19395 4672 1 8 . 1 1 45 45 VAL CA C 45 60.504 60.504 59.563 0.941 19395 4673 1 8 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.530 2.652 19395 4674 1 8 . 1 1 45 45 VAL H H 45 9.398 9.398 9.005 0.393 19395 4675 1 8 . 1 1 46 46 VAL N N 46 129.011 129.011 121.602 7.409 19395 4676 1 8 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.341 -0.011 19395 4677 1 8 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.501 -0.984 19395 4678 1 8 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.808 2.424 19395 4679 1 8 . 1 1 46 46 VAL H H 46 9.342 9.342 8.947 0.395 19395 4680 1 8 . 1 1 47 47 ARG N N 47 129.852 129.852 119.028 10.824 19395 4681 1 8 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.072 0.223 19395 4682 1 8 . 1 1 47 47 ARG CA C 47 56.019 56.019 57.270 -1.251 19395 4683 1 8 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.016 0.801 19395 4684 1 8 . 1 1 47 47 ARG H H 47 9.037 9.037 7.905 1.132 19395 4685 1 8 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.753 -0.819 19395 4686 1 8 . 1 1 49 49 CYS CA C 49 55.688 55.688 56.764 -1.076 19395 4687 1 8 . 1 1 49 49 CYS CB C 49 41.121 41.121 28.839 12.282 19395 4688 1 8 . 1 1 50 50 GLU N N 50 114.931 114.931 121.469 -6.538 19395 4689 1 8 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.314 -0.228 19395 4690 1 8 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.459 -0.159 19395 4691 1 8 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.683 1.762 19395 4692 1 8 . 1 1 50 50 GLU H H 50 8.669 8.669 8.486 0.183 19395 4693 1 8 . 1 1 51 51 VAL N N 51 122.453 122.453 117.240 5.213 19395 4694 1 8 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.230 -0.809 19395 4695 1 8 . 1 1 51 51 VAL CA C 51 64.120 64.120 62.719 1.401 19395 4696 1 8 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.413 -0.383 19395 4697 1 8 . 1 1 51 51 VAL H H 51 8.356 8.356 8.016 0.340 19395 4698 1 8 . 1 1 52 52 THR N N 52 118.382 118.382 114.077 4.305 19395 4699 1 8 . 1 1 52 52 THR HA H 52 4.525 4.525 4.349 0.176 19395 4700 1 8 . 1 1 52 52 THR CA C 52 61.197 61.197 61.190 0.007 19395 4701 1 8 . 1 1 52 52 THR CB C 52 69.429 69.429 68.626 0.803 19395 4702 1 8 . 1 1 52 52 THR H H 52 8.936 8.936 8.168 0.768 19395 4703 1 8 . 1 1 53 53 TYR N N 53 116.747 116.747 118.015 -1.268 19395 4704 1 8 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.802 -0.040 19395 4705 1 8 . 1 1 53 53 TYR CA C 53 55.653 55.653 56.621 -0.968 19395 4706 1 8 . 1 1 53 53 TYR CB C 53 39.833 39.833 39.639 0.194 19395 4707 1 8 . 1 1 53 53 TYR H H 53 7.040 7.040 7.352 -0.312 19395 4708 1 8 . 1 1 54 54 ASP N N 54 123.720 123.720 123.850 -0.130 19395 4709 1 8 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.532 -0.024 19395 4710 1 8 . 1 1 54 54 ASP CA C 54 53.571 53.571 54.005 -0.434 19395 4711 1 8 . 1 1 54 54 ASP CB C 54 41.364 41.364 41.889 -0.525 19395 4712 1 8 . 1 1 54 54 ASP H H 54 9.280 9.280 8.549 0.731 19395 4713 1 8 . 1 1 55 55 LYS N N 55 121.455 121.455 121.955 -0.500 19395 4714 1 8 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.444 0.075 19395 4715 1 8 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.376 0.568 19395 4716 1 8 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.729 1.211 19395 4717 1 8 . 1 1 55 55 LYS H H 55 8.497 8.497 8.306 0.191 19395 4718 1 8 . 1 1 56 56 THR N N 56 120.743 120.743 118.620 2.123 19395 4719 1 8 . 1 1 56 56 THR HA H 56 4.120 4.120 4.632 -0.512 19395 4720 1 8 . 1 1 56 56 THR CA C 56 68.652 68.652 63.278 5.374 19395 4721 1 8 . 1 1 56 56 THR CB C 56 66.508 66.508 68.148 -1.640 19395 4722 1 8 . 1 1 56 56 THR H H 56 8.701 8.701 8.636 0.065 19395 4723 1 8 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.509 -0.218 19395 4724 1 8 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.305 0.528 19395 4725 1 8 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.173 0.217 19395 4726 1 8 . 1 1 58 58 LEU N N 58 116.313 116.313 117.011 -0.698 19395 4727 1 8 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.230 -0.176 19395 4728 1 8 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.506 1.636 19395 4729 1 8 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.422 -0.068 19395 4730 1 8 . 1 1 58 58 LEU H H 58 7.170 7.170 8.162 -0.992 19395 4731 1 8 . 1 1 59 59 GLU N N 59 120.470 120.470 120.268 0.202 19395 4732 1 8 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.069 0.322 19395 4733 1 8 . 1 1 59 59 GLU CA C 59 59.104 59.104 59.341 -0.237 19395 4734 1 8 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.516 -0.190 19395 4735 1 8 . 1 1 59 59 GLU H H 59 7.794 7.794 8.703 -0.909 19395 4736 1 8 . 1 1 60 60 LYS N N 60 119.911 119.911 118.789 1.122 19395 4737 1 8 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.258 -0.150 19395 4738 1 8 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.372 1.183 19395 4739 1 8 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.096 -0.033 19395 4740 1 8 . 1 1 60 60 LYS H H 60 8.246 8.246 7.843 0.403 19395 4741 1 8 . 1 1 61 61 ASP N N 61 119.142 119.142 117.588 1.554 19395 4742 1 8 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.709 0.261 19395 4743 1 8 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.346 -0.567 19395 4744 1 8 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.807 1.080 19395 4745 1 8 . 1 1 61 61 ASP H H 61 7.235 7.235 7.626 -0.391 19395 4746 1 8 . 1 1 62 62 GLY N N 62 105.820 105.820 107.720 -1.900 19395 4747 1 8 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.886 0.156 19395 4748 1 8 . 1 1 62 62 GLY H H 62 7.742 7.742 7.556 0.186 19395 4749 1 8 . 1 1 63 63 ILE N N 63 123.074 123.074 119.966 3.108 19395 4750 1 8 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.189 0.149 19395 4751 1 8 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.093 -0.563 19395 4752 1 8 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.324 -0.806 19395 4753 1 8 . 1 1 63 63 ILE H H 63 7.870 7.870 7.740 0.130 19395 4754 1 8 . 1 1 64 64 THR N N 64 123.510 123.510 122.718 0.792 19395 4755 1 8 . 1 1 64 64 THR HA H 64 4.316 4.316 4.295 0.021 19395 4756 1 8 . 1 1 64 64 THR CA C 64 63.015 63.015 62.503 0.512 19395 4757 1 8 . 1 1 64 64 THR CB C 64 70.376 70.376 69.252 1.124 19395 4758 1 8 . 1 1 64 64 THR H H 64 8.200 8.200 8.697 -0.497 19395 4759 1 8 . 1 1 65 65 VAL N N 65 128.299 128.299 127.341 0.958 19395 4760 1 8 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.027 1.021 19395 4761 1 8 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.186 -1.139 19395 4762 1 8 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.118 0.999 19395 4763 1 8 . 1 1 65 65 VAL H H 65 8.919 8.919 8.680 0.239 19395 4764 1 8 . 1 1 66 66 VAL N N 66 129.962 129.962 128.989 0.973 19395 4765 1 8 . 1 1 66 66 VAL HA H 66 3.927 3.927 3.945 -0.018 19395 4766 1 8 . 1 1 66 66 VAL CA C 66 60.683 60.683 61.264 -0.581 19395 4767 1 8 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.443 2.177 19395 4768 1 8 . 1 1 66 66 VAL H H 66 9.145 9.145 8.074 1.071 19395 4769 1 8 . 1 1 67 67 ASP N N 67 126.437 126.437 123.961 2.476 19395 4770 1 8 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.698 0.621 19395 4771 1 8 . 1 1 67 67 ASP CA C 67 54.170 54.170 51.976 2.194 19395 4772 1 8 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.359 1.712 19395 4773 1 8 . 1 1 67 67 ASP H H 67 8.099 8.099 7.207 0.892 19395 4774 1 8 . 1 1 68 68 TRP N N 68 125.863 125.863 121.784 4.079 19395 4775 1 8 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.952 0.588 19395 4776 1 8 . 1 1 68 68 TRP CA C 68 51.631 51.631 54.191 -2.560 19395 4777 1 8 . 1 1 68 68 TRP CB C 68 30.303 30.303 32.971 -2.668 19395 4778 1 8 . 1 1 68 68 TRP H H 68 8.305 8.305 7.625 0.680 19395 4779 1 8 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.501 -0.516 19395 4780 1 8 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.127 -0.184 19395 4781 1 8 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.332 1.212 19395 4782 1 8 . 1 1 70 70 PHE N N 70 113.153 113.153 119.331 -6.178 19395 4783 1 8 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.438 0.322 19395 4784 1 8 . 1 1 70 70 PHE CA C 70 56.067 56.067 57.752 -1.685 19395 4785 1 8 . 1 1 70 70 PHE CB C 70 39.334 39.334 39.109 0.225 19395 4786 1 8 . 1 1 70 70 PHE H H 70 7.237 7.237 8.472 -1.235 19395 4787 1 8 . 1 1 71 71 ASP N N 71 120.632 120.632 121.308 -0.676 19395 4788 1 8 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.580 -0.298 19395 4789 1 8 . 1 1 71 71 ASP CA C 71 55.907 55.907 55.459 0.448 19395 4790 1 8 . 1 1 71 71 ASP CB C 71 41.099 41.099 40.850 0.249 19395 4791 1 8 . 1 1 71 71 ASP H H 71 8.514 8.514 7.897 0.617 19395 4792 1 8 . 1 1 73 73 GLY H H 73 8.510 8.510 7.336 1.174 19395 4793 1 8 . 1 1 74 74 ALA N N 74 123.138 123.138 124.880 -1.742 19395 4794 1 8 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.940 -0.100 19395 4795 1 8 . 1 1 74 74 ALA CA C 74 50.106 50.106 49.026 1.080 19395 4796 1 8 . 1 1 74 74 ALA CB C 74 20.264 20.264 20.068 0.196 19395 4797 1 8 . 1 1 74 74 ALA H H 74 7.833 7.833 8.263 -0.430 19395 4798 1 8 . 1 1 75 75 PRO CB C 75 31.456 31.456 30.589 0.867 19395 4799 1 8 . 1 1 79 79 LYS N N 79 119.944 119.944 120.483 -0.539 19395 4800 1 8 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.491 -0.551 19395 4801 1 8 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.196 1.628 19395 4802 1 8 . 1 1 79 79 LYS CB C 79 32.310 32.310 32.804 -0.494 19395 4803 1 8 . 1 1 79 79 LYS H H 79 8.425 8.425 8.227 0.198 19395 4804 1 8 . 1 1 80 80 VAL N N 80 116.231 116.231 118.536 -2.305 19395 4805 1 8 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.772 -0.377 19395 4806 1 8 . 1 1 80 80 VAL CA C 80 64.913 64.913 63.800 1.113 19395 4807 1 8 . 1 1 80 80 VAL CB C 80 31.293 31.293 30.709 0.584 19395 4808 1 8 . 1 1 80 80 VAL H H 80 6.338 6.338 8.130 -1.792 19395 4809 1 8 . 1 1 81 81 VAL N N 81 118.082 118.082 117.116 0.966 19395 4810 1 8 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.596 -0.411 19395 4811 1 8 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.486 2.138 19395 4812 1 8 . 1 1 81 81 VAL CB C 81 31.645 31.645 31.221 0.424 19395 4813 1 8 . 1 1 81 81 VAL H H 81 7.362 7.362 7.219 0.143 19395 4814 1 8 . 1 1 82 82 GLU N N 82 117.196 117.196 118.962 -1.766 19395 4815 1 8 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.937 -0.001 19395 4816 1 8 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.539 -0.045 19395 4817 1 8 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.222 0.229 19395 4818 1 8 . 1 1 82 82 GLU H H 82 7.878 7.878 7.775 0.103 19395 4819 1 8 . 1 1 83 83 ASP N N 83 121.828 121.828 120.359 1.469 19395 4820 1 8 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.267 -0.028 19395 4821 1 8 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.381 0.898 19395 4822 1 8 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.199 -1.050 19395 4823 1 8 . 1 1 83 83 ASP H H 83 8.156 8.156 7.815 0.341 19395 4824 1 8 . 1 1 84 84 TRP N N 84 124.374 124.374 122.188 2.186 19395 4825 1 8 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.177 0.747 19395 4826 1 8 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.855 -0.833 19395 4827 1 8 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.710 0.100 19395 4828 1 8 . 1 1 84 84 TRP H H 84 8.939 8.939 7.936 1.003 19395 4829 1 8 . 1 1 85 85 LEU N N 85 117.918 117.918 116.694 1.224 19395 4830 1 8 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.091 -0.331 19395 4831 1 8 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.254 0.744 19395 4832 1 8 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.280 1.049 19395 4833 1 8 . 1 1 85 85 LEU H H 85 8.723 8.723 8.024 0.699 19395 4834 1 8 . 1 1 86 86 SER N N 86 114.182 114.182 115.549 -1.367 19395 4835 1 8 . 1 1 86 86 SER HA H 86 4.187 4.187 4.215 -0.028 19395 4836 1 8 . 1 1 86 86 SER CA C 86 61.997 61.997 61.617 0.380 19395 4837 1 8 . 1 1 86 86 SER CB C 86 62.984 62.984 62.899 0.085 19395 4838 1 8 . 1 1 86 86 SER H H 86 8.067 8.067 8.095 -0.028 19395 4839 1 8 . 1 1 87 87 LEU N N 87 125.441 125.441 123.105 2.336 19395 4840 1 8 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.136 0.074 19395 4841 1 8 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.136 0.800 19395 4842 1 8 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.621 0.958 19395 4843 1 8 . 1 1 87 87 LEU H H 87 8.300 8.300 8.313 -0.013 19395 4844 1 8 . 1 1 88 88 VAL N N 88 116.784 116.784 115.311 1.473 19395 4845 1 8 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.698 -0.632 19395 4846 1 8 . 1 1 88 88 VAL CA C 88 66.385 66.385 66.493 -0.108 19395 4847 1 8 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.360 -0.596 19395 4848 1 8 . 1 1 88 88 VAL H H 88 8.468 8.468 7.801 0.667 19395 4849 1 8 . 1 1 89 89 LYS N N 89 118.569 118.569 120.421 -1.852 19395 4850 1 8 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.352 -0.327 19395 4851 1 8 . 1 1 89 89 LYS CA C 89 59.476 59.476 59.014 0.462 19395 4852 1 8 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.506 0.350 19395 4853 1 8 . 1 1 89 89 LYS H H 89 7.652 7.652 8.501 -0.849 19395 4854 1 8 . 1 1 90 90 ALA N N 90 119.043 119.043 121.555 -2.512 19395 4855 1 8 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.327 -0.176 19395 4856 1 8 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.878 1.167 19395 4857 1 8 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.754 -1.300 19395 4858 1 8 . 1 1 90 90 ALA H H 90 7.616 7.616 7.990 -0.374 19395 4859 1 8 . 1 1 91 91 LYS N N 91 117.654 117.654 120.359 -2.705 19395 4860 1 8 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.944 -0.007 19395 4861 1 8 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.140 -1.386 19395 4862 1 8 . 1 1 91 91 LYS CB C 91 30.163 30.163 32.017 -1.854 19395 4863 1 8 . 1 1 91 91 LYS H H 91 8.658 8.658 8.588 0.070 19395 4864 1 8 . 1 1 92 92 PHE N N 92 113.471 113.471 118.967 -5.496 19395 4865 1 8 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.407 0.212 19395 4866 1 8 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.211 -0.616 19395 4867 1 8 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.252 -1.568 19395 4868 1 8 . 1 1 92 92 PHE H H 92 7.472 7.472 8.445 -0.973 19395 4869 1 8 . 1 1 93 93 CYS N N 93 117.138 117.138 118.534 -1.396 19395 4870 1 8 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.768 0.595 19395 4871 1 8 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.608 2.356 19395 4872 1 8 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.182 0.296 19395 4873 1 8 . 1 1 93 93 CYS H H 93 7.562 7.562 7.156 0.406 19395 4874 1 8 . 1 1 94 94 GLU N N 94 118.594 118.594 119.829 -1.235 19395 4875 1 8 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.330 -0.203 19395 4876 1 8 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.480 1.561 19395 4877 1 8 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.271 -0.198 19395 4878 1 8 . 1 1 94 94 GLU H H 94 8.236 8.236 8.346 -0.110 19395 4879 1 8 . 1 1 95 95 ALA N N 95 121.081 121.081 122.839 -1.758 19395 4880 1 8 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.749 0.128 19395 4881 1 8 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.283 0.086 19395 4882 1 8 . 1 1 95 95 ALA CB C 95 18.124 18.124 20.681 -2.557 19395 4883 1 8 . 1 1 95 95 ALA H H 95 7.898 7.898 7.719 0.179 19395 4884 1 8 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.416 0.407 19395 4885 1 8 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.413 0.555 19395 4886 1 8 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.483 1.073 19395 4887 1 8 . 1 1 97 97 GLY N N 97 113.478 113.478 113.663 -0.185 19395 4888 1 8 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.940 -0.241 19395 4889 1 8 . 1 1 97 97 GLY H H 97 9.198 9.198 8.333 0.865 19395 4890 1 8 . 1 1 98 98 SER N N 98 115.643 115.643 114.333 1.310 19395 4891 1 8 . 1 1 98 98 SER HA H 98 4.560 4.560 4.283 0.277 19395 4892 1 8 . 1 1 98 98 SER CA C 98 58.923 58.923 60.050 -1.127 19395 4893 1 8 . 1 1 98 98 SER CB C 98 64.427 64.427 64.188 0.239 19395 4894 1 8 . 1 1 98 98 SER H H 98 8.066 8.066 8.035 0.031 19395 4895 1 8 . 1 1 99 99 CYS N N 99 115.484 115.484 117.060 -1.576 19395 4896 1 8 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.001 0.396 19395 4897 1 8 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.717 -1.930 19395 4898 1 8 . 1 1 99 99 CYS CB C 99 29.985 29.985 31.395 -1.410 19395 4899 1 8 . 1 1 99 99 CYS H H 99 7.532 7.532 8.007 -0.474 19395 4900 1 8 . 1 1 100 100 VAL N N 100 128.065 128.065 117.520 10.545 19395 4901 1 8 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.288 0.020 19395 4902 1 8 . 1 1 100 100 VAL CA C 100 61.631 61.631 60.012 1.619 19395 4903 1 8 . 1 1 100 100 VAL CB C 100 34.384 34.384 32.036 2.348 19395 4904 1 8 . 1 1 100 100 VAL H H 100 8.392 8.392 8.053 0.339 19395 4905 1 8 . 1 1 101 101 ALA N N 101 130.346 130.346 130.342 0.004 19395 4906 1 8 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.802 0.958 19395 4907 1 8 . 1 1 101 101 ALA CA C 101 50.101 50.101 51.559 -1.458 19395 4908 1 8 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.246 1.872 19395 4909 1 8 . 1 1 101 101 ALA H H 101 8.882 8.882 8.194 0.688 19395 4910 1 8 . 1 1 102 102 VAL N N 102 120.866 120.866 119.464 1.402 19395 4911 1 8 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.690 0.933 19395 4912 1 8 . 1 1 102 102 VAL CA C 102 58.795 58.795 59.816 -1.020 19395 4913 1 8 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.826 -0.686 19395 4914 1 8 . 1 1 102 102 VAL H H 102 9.359 9.359 8.826 0.533 19395 4915 1 8 . 1 1 103 103 HIS N N 103 120.019 120.019 124.330 -4.311 19395 4916 1 8 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.817 -0.034 19395 4917 1 8 . 1 1 103 103 HIS CA C 103 55.292 55.292 56.772 -1.480 19395 4918 1 8 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.309 2.723 19395 4919 1 8 . 1 1 103 103 HIS H H 103 8.749 8.749 8.559 0.190 19395 4920 1 8 . 1 1 104 104 CYS N N 104 118.175 118.175 125.356 -7.181 19395 4921 1 8 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.770 -0.073 19395 4922 1 8 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.600 -1.335 19395 4923 1 8 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.531 2.648 19395 4924 1 8 . 1 1 104 104 CYS H H 104 8.428 8.428 8.268 0.160 19395 4925 1 8 . 1 1 105 105 VAL N N 105 125.962 125.962 122.696 3.266 19395 4926 1 8 . 1 1 105 105 VAL HA H 105 4.219 4.219 4.154 0.065 19395 4927 1 8 . 1 1 105 105 VAL CA C 105 66.483 66.483 62.853 3.630 19395 4928 1 8 . 1 1 105 105 VAL CB C 105 32.383 32.383 33.337 -0.954 19395 4929 1 8 . 1 1 105 105 VAL H H 105 8.422 8.422 8.257 0.165 19395 4930 1 8 . 1 1 106 106 ALA N N 106 123.180 123.180 121.772 1.408 19395 4931 1 8 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.120 0.575 19395 4932 1 8 . 1 1 106 106 ALA CA C 106 52.862 52.862 54.409 -1.547 19395 4933 1 8 . 1 1 106 106 ALA CB C 106 20.123 20.123 18.790 1.333 19395 4934 1 8 . 1 1 106 106 ALA H H 106 9.997 9.997 8.479 1.518 19395 4935 1 8 . 1 1 107 107 GLY N N 107 109.076 109.076 104.904 4.172 19395 4936 1 8 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.631 1.988 19395 4937 1 8 . 1 1 107 107 GLY H H 107 8.019 8.019 7.772 0.247 19395 4938 1 8 . 1 1 108 108 LEU N N 108 117.413 117.413 123.010 -5.597 19395 4939 1 8 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.800 0.664 19395 4940 1 8 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.228 0.554 19395 4941 1 8 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.685 4.135 19395 4942 1 8 . 1 1 108 108 LEU H H 108 7.598 7.598 8.366 -0.768 19395 4943 1 8 . 1 1 109 109 GLY N N 109 111.143 111.143 106.928 4.215 19395 4944 1 8 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.773 -0.132 19395 4945 1 8 . 1 1 109 109 GLY H H 109 10.576 10.576 8.736 1.840 19395 4946 1 8 . 1 1 110 110 ARG N N 110 127.464 127.464 123.459 4.005 19395 4947 1 8 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.863 -0.308 19395 4948 1 8 . 1 1 110 110 ARG CA C 110 60.426 60.426 59.250 1.176 19395 4949 1 8 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.594 2.589 19395 4950 1 8 . 1 1 110 110 ARG H H 110 10.234 10.234 8.462 1.772 19395 4951 1 8 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.252 -0.368 19395 4952 1 8 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.464 1.068 19395 4953 1 8 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.614 -0.705 19395 4954 1 8 . 1 1 113 113 VAL N N 113 116.720 116.720 119.996 -3.276 19395 4955 1 8 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.598 -0.038 19395 4956 1 8 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.790 -0.060 19395 4957 1 8 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.797 -1.274 19395 4958 1 8 . 1 1 113 113 VAL H H 113 8.340 8.340 8.397 -0.057 19395 4959 1 8 . 1 1 114 114 LEU N N 114 119.045 119.045 119.985 -0.940 19395 4960 1 8 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.242 -0.584 19395 4961 1 8 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.401 -0.371 19395 4962 1 8 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.085 -2.286 19395 4963 1 8 . 1 1 114 114 LEU H H 114 6.990 6.990 8.571 -1.581 19395 4964 1 8 . 1 1 115 115 VAL N N 115 120.270 120.270 115.901 4.369 19395 4965 1 8 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.432 -0.389 19395 4966 1 8 . 1 1 115 115 VAL CA C 115 67.509 67.509 65.718 1.791 19395 4967 1 8 . 1 1 115 115 VAL CB C 115 30.787 30.787 30.254 0.533 19395 4968 1 8 . 1 1 115 115 VAL H H 115 7.188 7.188 7.643 -0.455 19395 4969 1 8 . 1 1 116 116 ALA N N 116 121.280 121.280 123.718 -2.438 19395 4970 1 8 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.046 -0.285 19395 4971 1 8 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.141 0.716 19395 4972 1 8 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.443 -0.575 19395 4973 1 8 . 1 1 116 116 ALA H H 116 8.649 8.649 8.131 0.518 19395 4974 1 8 . 1 1 117 117 LEU N N 117 116.557 116.557 120.223 -3.666 19395 4975 1 8 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.855 -0.087 19395 4976 1 8 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.748 0.612 19395 4977 1 8 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.713 2.354 19395 4978 1 8 . 1 1 117 117 LEU H H 117 8.048 8.048 7.628 0.420 19395 4979 1 8 . 1 1 118 118 ALA N N 118 119.916 119.916 119.774 0.142 19395 4980 1 8 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.530 0.539 19395 4981 1 8 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.249 1.115 19395 4982 1 8 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.344 1.283 19395 4983 1 8 . 1 1 118 118 ALA H H 118 7.691 7.691 6.638 1.053 19395 4984 1 8 . 1 1 119 119 LEU N N 119 116.962 116.962 120.036 -3.074 19395 4985 1 8 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.025 -0.150 19395 4986 1 8 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.578 0.847 19395 4987 1 8 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.762 -1.977 19395 4988 1 8 . 1 1 119 119 LEU H H 119 7.988 7.988 7.617 0.371 19395 4989 1 8 . 1 1 120 120 ILE N N 120 123.209 123.209 119.110 4.099 19395 4990 1 8 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.909 0.840 19395 4991 1 8 . 1 1 120 120 ILE CA C 120 64.104 64.104 64.405 -0.301 19395 4992 1 8 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.645 1.597 19395 4993 1 8 . 1 1 120 120 ILE H H 120 8.643 8.643 8.346 0.297 19395 4994 1 8 . 1 1 121 121 GLU N N 121 121.219 121.219 118.621 2.598 19395 4995 1 8 . 1 1 121 121 GLU HA H 121 4.508 4.508 4.030 0.478 19395 4996 1 8 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.046 0.093 19395 4997 1 8 . 1 1 121 121 GLU CB C 121 29.233 29.233 29.034 0.199 19395 4998 1 8 . 1 1 121 121 GLU H H 121 8.680 8.680 7.793 0.887 19395 4999 1 8 . 1 1 122 122 SER N N 122 114.306 114.306 112.827 1.479 19395 5000 1 8 . 1 1 122 122 SER HA H 122 4.783 4.783 4.344 0.439 19395 5001 1 8 . 1 1 122 122 SER CA C 122 58.581 58.581 60.589 -2.008 19395 5002 1 8 . 1 1 122 122 SER CB C 122 64.656 64.656 63.877 0.779 19395 5003 1 8 . 1 1 122 122 SER H H 122 7.834 7.834 7.990 -0.156 19395 5004 1 8 . 1 1 123 123 GLY N N 123 108.666 108.666 109.601 -0.935 19395 5005 1 8 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.572 0.508 19395 5006 1 8 . 1 1 123 123 GLY H H 123 7.902 7.902 7.757 0.145 19395 5007 1 8 . 1 1 124 124 MET N N 124 123.358 123.358 120.157 3.201 19395 5008 1 8 . 1 1 124 124 MET HA H 124 4.258 4.258 4.711 -0.453 19395 5009 1 8 . 1 1 124 124 MET CA C 124 56.698 56.698 53.398 3.300 19395 5010 1 8 . 1 1 124 124 MET CB C 124 34.104 34.104 35.872 -1.768 19395 5011 1 8 . 1 1 124 124 MET H H 124 7.970 7.970 7.467 0.503 19395 5012 1 8 . 1 1 125 125 LYS N N 125 125.848 125.848 123.956 1.892 19395 5013 1 8 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.378 -0.084 19395 5014 1 8 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.469 0.440 19395 5015 1 8 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.208 0.529 19395 5016 1 8 . 1 1 125 125 LYS H H 125 8.903 8.903 8.454 0.449 19395 5017 1 8 . 1 1 126 126 TYR N N 126 124.016 124.016 127.968 -3.952 19395 5018 1 8 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.947 0.113 19395 5019 1 8 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.465 -0.731 19395 5020 1 8 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.821 0.121 19395 5021 1 8 . 1 1 126 126 TYR H H 126 9.242 9.242 9.130 0.112 19395 5022 1 8 . 1 1 127 127 GLU N N 127 119.702 119.702 117.963 1.739 19395 5023 1 8 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.188 0.205 19395 5024 1 8 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.606 0.609 19395 5025 1 8 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.601 0.384 19395 5026 1 8 . 1 1 127 127 GLU H H 127 9.102 9.102 8.644 0.458 19395 5027 1 8 . 1 1 128 128 ASP N N 128 118.661 118.661 119.206 -0.545 19395 5028 1 8 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.334 0.077 19395 5029 1 8 . 1 1 128 128 ASP CA C 128 56.574 56.574 56.775 -0.201 19395 5030 1 8 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.382 -0.276 19395 5031 1 8 . 1 1 128 128 ASP H H 128 6.782 6.782 8.047 -1.265 19395 5032 1 8 . 1 1 129 129 ALA N N 129 125.068 125.068 122.396 2.672 19395 5033 1 8 . 1 1 129 129 ALA HA H 129 4.227 4.227 3.996 0.231 19395 5034 1 8 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.236 0.176 19395 5035 1 8 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.436 -0.124 19395 5036 1 8 . 1 1 129 129 ALA H H 129 8.365 8.365 8.385 -0.020 19395 5037 1 8 . 1 1 130 130 ILE N N 130 115.533 115.533 119.340 -3.807 19395 5038 1 8 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.642 -0.151 19395 5039 1 8 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.810 1.306 19395 5040 1 8 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.260 0.526 19395 5041 1 8 . 1 1 130 130 ILE H H 130 8.044 8.044 8.358 -0.314 19395 5042 1 8 . 1 1 131 131 GLN N N 131 118.503 118.503 117.876 0.627 19395 5043 1 8 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.980 0.036 19395 5044 1 8 . 1 1 131 131 GLN CA C 131 58.791 58.791 58.391 0.401 19395 5045 1 8 . 1 1 131 131 GLN CB C 131 28.439 28.439 27.890 0.549 19395 5046 1 8 . 1 1 131 131 GLN H H 131 7.426 7.426 8.032 -0.606 19395 5047 1 8 . 1 1 132 132 PHE N N 132 120.679 120.679 121.440 -0.761 19395 5048 1 8 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.258 0.065 19395 5049 1 8 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.398 -0.223 19395 5050 1 8 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.062 0.788 19395 5051 1 8 . 1 1 132 132 PHE H H 132 8.416 8.416 7.784 0.632 19395 5052 1 8 . 1 1 133 133 ILE N N 133 116.466 116.466 115.883 0.583 19395 5053 1 8 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.621 -0.132 19395 5054 1 8 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.023 -0.026 19395 5055 1 8 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.655 -0.094 19395 5056 1 8 . 1 1 133 133 ILE H H 133 7.964 7.964 8.061 -0.097 19395 5057 1 8 . 1 1 134 134 ARG N N 134 119.204 119.204 119.329 -0.125 19395 5058 1 8 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.190 0.132 19395 5059 1 8 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.349 0.811 19395 5060 1 8 . 1 1 134 134 ARG CB C 134 30.212 30.212 30.662 -0.450 19395 5061 1 8 . 1 1 134 134 ARG H H 134 8.449 8.449 8.347 0.102 19395 5062 1 8 . 1 1 135 135 GLN N N 135 117.511 117.511 118.381 -0.870 19395 5063 1 8 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.156 -0.119 19395 5064 1 8 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.173 0.164 19395 5065 1 8 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.476 -0.037 19395 5066 1 8 . 1 1 135 135 GLN H H 135 7.829 7.829 8.062 -0.233 19395 5067 1 8 . 1 1 136 136 LYS N N 136 116.364 116.364 117.238 -0.874 19395 5068 1 8 . 1 1 136 136 LYS HA H 136 4.294 4.294 3.968 0.326 19395 5069 1 8 . 1 1 136 136 LYS CA C 136 56.209 56.209 58.054 -1.845 19395 5070 1 8 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.393 0.586 19395 5071 1 8 . 1 1 136 136 LYS H H 136 7.280 7.280 7.873 -0.593 19395 5072 1 8 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.715 -0.870 19395 5073 1 8 . 1 1 140 140 ALA N N 140 121.841 121.841 122.208 -0.367 19395 5074 1 8 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.178 0.178 19395 5075 1 8 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.487 -0.160 19395 5076 1 8 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.345 0.229 19395 5077 1 8 . 1 1 140 140 ALA H H 140 7.553 7.553 8.038 -0.485 19395 5078 1 8 . 1 1 141 141 ILE N N 141 113.228 113.228 115.988 -2.760 19395 5079 1 8 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.285 -0.947 19395 5080 1 8 . 1 1 141 141 ILE CA C 141 65.889 65.889 59.215 6.674 19395 5081 1 8 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.444 -4.256 19395 5082 1 8 . 1 1 141 141 ILE H H 141 8.744 8.744 8.120 0.624 19395 5083 1 8 . 1 1 142 142 ASN N N 142 126.808 126.808 117.988 8.820 19395 5084 1 8 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.556 0.167 19395 5085 1 8 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.391 -3.308 19395 5086 1 8 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.930 -1.000 19395 5087 1 8 . 1 1 142 142 ASN H H 142 8.538 8.538 8.065 0.473 19395 5088 1 8 . 1 1 144 144 LYS HA H 144 4.167 4.167 4.005 0.162 19395 5089 1 8 . 1 1 145 145 GLN N N 145 120.931 120.931 118.846 2.085 19395 5090 1 8 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.038 -0.303 19395 5091 1 8 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.414 0.421 19395 5092 1 8 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.736 0.067 19395 5093 1 8 . 1 1 145 145 GLN H H 145 8.737 8.737 8.352 0.385 19395 5094 1 8 . 1 1 146 146 LEU N N 146 122.433 122.433 120.418 2.015 19395 5095 1 8 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.160 -0.185 19395 5096 1 8 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.632 0.381 19395 5097 1 8 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.970 -0.174 19395 5098 1 8 . 1 1 146 146 LEU H H 146 8.917 8.917 8.206 0.711 19395 5099 1 8 . 1 1 147 147 THR N N 147 115.378 115.378 112.856 2.522 19395 5100 1 8 . 1 1 147 147 THR HA H 147 3.936 3.936 3.850 0.086 19395 5101 1 8 . 1 1 147 147 THR CA C 147 66.512 66.512 66.156 0.356 19395 5102 1 8 . 1 1 147 147 THR CB C 147 68.865 68.865 68.617 0.248 19395 5103 1 8 . 1 1 147 147 THR H H 147 7.948 7.948 7.889 0.059 19395 5104 1 8 . 1 1 148 148 TYR N N 148 120.402 120.402 123.205 -2.803 19395 5105 1 8 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.126 -0.044 19395 5106 1 8 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.255 -0.060 19395 5107 1 8 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.221 -0.244 19395 5108 1 8 . 1 1 148 148 TYR H H 148 7.366 7.366 8.422 -1.056 19395 5109 1 8 . 1 1 149 149 LEU N N 149 119.957 119.957 118.884 1.073 19395 5110 1 8 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.342 0.386 19395 5111 1 8 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.575 0.966 19395 5112 1 8 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.508 2.055 19395 5113 1 8 . 1 1 149 149 LEU H H 149 7.968 7.968 7.456 0.512 19395 5114 1 8 . 1 1 150 150 GLU N N 150 120.132 120.132 117.401 2.731 19395 5115 1 8 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.557 -1.174 19395 5116 1 8 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.644 -0.182 19395 5117 1 8 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.619 -0.038 19395 5118 1 8 . 1 1 150 150 GLU H H 150 8.305 8.305 7.410 0.895 19395 5119 1 8 . 1 1 151 151 LYS N N 151 114.600 114.600 115.972 -1.372 19395 5120 1 8 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.227 -0.156 19395 5121 1 8 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.924 -1.292 19395 5122 1 8 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.668 -0.721 19395 5123 1 8 . 1 1 151 151 LYS H H 151 7.106 7.106 7.492 -0.386 19395 5124 1 8 . 1 1 152 152 TYR N N 152 123.664 123.664 121.408 2.256 19395 5125 1 8 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.140 -0.365 19395 5126 1 8 . 1 1 152 152 TYR CA C 152 59.659 59.659 58.897 0.762 19395 5127 1 8 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.872 -0.627 19395 5128 1 8 . 1 1 152 152 TYR H H 152 7.187 7.187 7.505 -0.318 19395 5129 1 8 . 1 1 153 153 ARG N N 153 130.321 130.321 125.766 4.555 19395 5130 1 8 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.554 0.211 19395 5131 1 8 . 1 1 153 153 ARG CA C 153 51.513 51.513 52.006 -0.493 19395 5132 1 8 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.911 -1.731 19395 5133 1 8 . 1 1 153 153 ARG H H 153 7.760 7.760 7.806 -0.046 19395 5134 1 8 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.672 -0.032 19395 5135 1 8 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.855 -0.799 19395 5136 1 8 . 1 1 154 154 PRO CB C 154 33.603 33.603 31.946 1.657 19395 5137 1 8 . 1 1 155 155 LYS N N 155 122.066 122.066 123.358 -1.292 19395 5138 1 8 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.239 0.199 19395 5139 1 8 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.637 -0.714 19395 5140 1 8 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.390 1.053 19395 5141 1 8 . 1 1 155 155 LYS H H 155 9.586 9.586 8.419 1.167 19395 5142 1 8 . 1 1 156 156 GLN N N 156 117.702 117.702 113.783 3.919 19395 5143 1 8 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.065 0.301 19395 5144 1 8 . 1 1 156 156 GLN CA C 156 56.549 56.549 56.933 -0.384 19395 5145 1 8 . 1 1 156 156 GLN CB C 156 26.728 26.728 25.909 0.819 19395 5146 1 8 . 1 1 156 156 GLN H H 156 8.334 8.334 8.281 0.053 19395 5147 1 8 . 1 1 157 157 ARG N N 157 117.466 117.466 117.794 -0.328 19395 5148 1 8 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.104 0.051 19395 5149 1 8 . 1 1 157 157 ARG CA C 157 58.022 58.022 58.523 -0.501 19395 5150 1 8 . 1 1 157 157 ARG CB C 157 30.769 30.769 30.779 -0.010 19395 5151 1 8 . 1 1 157 157 ARG H H 157 8.983 8.983 7.984 0.999 19395 5152 1 8 . 1 1 158 158 LEU N N 158 117.973 117.973 120.929 -2.956 19395 5153 1 8 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.574 0.055 19395 5154 1 8 . 1 1 158 158 LEU CA C 158 53.469 53.469 54.230 -0.761 19395 5155 1 8 . 1 1 158 158 LEU CB C 158 41.505 41.505 40.926 0.579 19395 5156 1 8 . 1 1 158 158 LEU H H 158 8.123 8.123 7.697 0.426 19395 5157 1 8 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.472 -0.359 19395 5158 1 8 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.059 2.428 19395 5159 1 8 . 1 1 161 161 LYS CB C 161 33.174 33.174 35.169 -1.994 19395 5160 1 8 . 1 1 161 161 LYS H H 161 7.856 7.856 8.510 -0.654 19395 5161 1 9 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.502 -0.155 19395 5162 1 9 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.692 -0.154 19395 5163 1 9 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.922 -1.131 19395 5164 1 9 . 1 1 8 8 ALA N N 8 126.708 126.708 126.923 -0.215 19395 5165 1 9 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.798 -0.187 19395 5166 1 9 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.510 0.798 19395 5167 1 9 . 1 1 8 8 ALA CB C 8 18.205 18.205 18.957 -0.753 19395 5168 1 9 . 1 1 8 8 ALA H H 8 8.399 8.399 8.225 0.174 19395 5169 1 9 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.132 0.519 19395 5170 1 9 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.154 0.429 19395 5171 1 9 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.612 -0.101 19395 5172 1 9 . 1 1 10 10 VAL N N 10 118.581 118.581 119.646 -1.065 19395 5173 1 9 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.310 -0.009 19395 5174 1 9 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.065 -0.232 19395 5175 1 9 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.104 0.573 19395 5176 1 9 . 1 1 10 10 VAL H H 10 8.025 8.025 7.878 0.147 19395 5177 1 9 . 1 1 11 11 GLU N N 11 129.673 129.673 129.345 0.328 19395 5178 1 9 . 1 1 11 11 GLU HA H 11 5.085 5.085 4.987 0.098 19395 5179 1 9 . 1 1 11 11 GLU CA C 11 54.747 54.747 55.363 -0.616 19395 5180 1 9 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.166 0.963 19395 5181 1 9 . 1 1 11 11 GLU H H 11 8.723 8.723 8.798 -0.075 19395 5182 1 9 . 1 1 12 12 VAL N N 12 127.093 127.093 128.986 -1.893 19395 5183 1 9 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.491 -0.208 19395 5184 1 9 . 1 1 12 12 VAL CA C 12 61.596 61.596 59.765 1.831 19395 5185 1 9 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.428 1.118 19395 5186 1 9 . 1 1 12 12 VAL H H 12 9.247 9.247 8.836 0.411 19395 5187 1 9 . 1 1 13 13 SER N N 13 123.385 123.385 125.175 -1.790 19395 5188 1 9 . 1 1 13 13 SER HA H 13 5.302 5.302 4.866 0.436 19395 5189 1 9 . 1 1 13 13 SER CA C 13 56.409 56.409 57.906 -1.497 19395 5190 1 9 . 1 1 13 13 SER CB C 13 64.981 64.981 63.502 1.480 19395 5191 1 9 . 1 1 13 13 SER H H 13 9.001 9.001 8.618 0.383 19395 5192 1 9 . 1 1 14 14 TYR N N 14 124.413 124.413 127.439 -3.026 19395 5193 1 9 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.613 -0.076 19395 5194 1 9 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.519 0.714 19395 5195 1 9 . 1 1 14 14 TYR CB C 14 41.579 41.579 40.244 1.335 19395 5196 1 9 . 1 1 14 14 TYR H H 14 8.347 8.347 9.025 -0.678 19395 5197 1 9 . 1 1 15 15 LYS N N 15 125.130 125.130 119.476 5.654 19395 5198 1 9 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.957 -0.558 19395 5199 1 9 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.482 -0.108 19395 5200 1 9 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.205 -2.311 19395 5201 1 9 . 1 1 15 15 LYS H H 15 8.820 8.820 7.955 0.865 19395 5202 1 9 . 1 1 16 16 HIS N N 16 121.278 121.278 117.919 3.359 19395 5203 1 9 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.694 -0.244 19395 5204 1 9 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.241 1.497 19395 5205 1 9 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.870 0.359 19395 5206 1 9 . 1 1 16 16 HIS H H 16 8.784 8.784 8.149 0.635 19395 5207 1 9 . 1 1 17 17 MET N N 17 120.113 120.113 115.455 4.658 19395 5208 1 9 . 1 1 17 17 MET HA H 17 2.326 2.326 4.776 -2.450 19395 5209 1 9 . 1 1 17 17 MET CA C 17 54.714 54.714 55.087 -0.373 19395 5210 1 9 . 1 1 17 17 MET CB C 17 34.848 34.848 35.895 -1.047 19395 5211 1 9 . 1 1 17 17 MET H H 17 8.106 8.106 7.381 0.725 19395 5212 1 9 . 1 1 18 18 ARG N N 18 121.252 121.252 121.006 0.246 19395 5213 1 9 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.379 -0.540 19395 5214 1 9 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.506 0.288 19395 5215 1 9 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.392 0.425 19395 5216 1 9 . 1 1 18 18 ARG H H 18 5.904 5.904 8.630 -2.726 19395 5217 1 9 . 1 1 19 19 PHE N N 19 121.195 121.195 122.885 -1.690 19395 5218 1 9 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.513 0.487 19395 5219 1 9 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.211 0.407 19395 5220 1 9 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.126 0.490 19395 5221 1 9 . 1 1 19 19 PHE H H 19 9.178 9.178 9.336 -0.158 19395 5222 1 9 . 1 1 20 20 LEU N N 20 123.804 123.804 121.694 2.110 19395 5223 1 9 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.134 -0.024 19395 5224 1 9 . 1 1 20 20 LEU CA C 20 52.568 52.568 54.105 -1.537 19395 5225 1 9 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.724 2.159 19395 5226 1 9 . 1 1 20 20 LEU H H 20 8.601 8.601 9.335 -0.734 19395 5227 1 9 . 1 1 21 21 ILE N N 21 126.661 126.661 123.191 3.470 19395 5228 1 9 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.308 -0.177 19395 5229 1 9 . 1 1 21 21 ILE CA C 21 60.828 60.828 58.999 1.829 19395 5230 1 9 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.548 0.661 19395 5231 1 9 . 1 1 21 21 ILE H H 21 9.323 9.323 9.234 0.089 19395 5232 1 9 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.526 -0.197 19395 5233 1 9 . 1 1 25 25 PRO CA C 25 61.818 61.818 64.011 -2.193 19395 5234 1 9 . 1 1 25 25 PRO CB C 25 32.524 32.524 30.447 2.078 19395 5235 1 9 . 1 1 26 26 THR N N 26 131.812 131.812 115.748 16.064 19395 5236 1 9 . 1 1 26 26 THR H H 26 6.781 6.781 8.067 -1.286 19395 5237 1 9 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.363 -0.019 19395 5238 1 9 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.494 0.527 19395 5239 1 9 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.030 0.152 19395 5240 1 9 . 1 1 29 29 THR N N 29 104.375 104.375 111.005 -6.630 19395 5241 1 9 . 1 1 29 29 THR HA H 29 4.847 4.847 4.420 0.427 19395 5242 1 9 . 1 1 29 29 THR CA C 29 60.370 60.370 61.847 -1.477 19395 5243 1 9 . 1 1 29 29 THR CB C 29 69.135 69.135 71.062 -1.927 19395 5244 1 9 . 1 1 29 29 THR H H 29 7.642 7.642 7.624 0.018 19395 5245 1 9 . 1 1 30 30 LEU N N 30 124.383 124.383 121.246 3.137 19395 5246 1 9 . 1 1 30 30 LEU HA H 30 4.013 4.013 3.954 0.059 19395 5247 1 9 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.472 0.239 19395 5248 1 9 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.421 1.933 19395 5249 1 9 . 1 1 30 30 LEU H H 30 7.356 7.356 8.165 -0.809 19395 5250 1 9 . 1 1 31 31 SER N N 31 111.792 111.792 115.201 -3.409 19395 5251 1 9 . 1 1 31 31 SER H H 31 6.915 6.915 8.372 -1.457 19395 5252 1 9 . 1 1 32 32 THR N N 32 116.374 116.374 118.754 -2.380 19395 5253 1 9 . 1 1 32 32 THR HA H 32 4.109 4.109 4.036 0.073 19395 5254 1 9 . 1 1 32 32 THR CA C 32 65.142 65.142 65.958 -0.816 19395 5255 1 9 . 1 1 32 32 THR CB C 32 68.628 68.628 68.804 -0.176 19395 5256 1 9 . 1 1 32 32 THR H H 32 7.589 7.589 7.880 -0.291 19395 5257 1 9 . 1 1 33 33 PHE N N 33 124.790 124.790 123.719 1.071 19395 5258 1 9 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.296 0.179 19395 5259 1 9 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.606 0.444 19395 5260 1 9 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.439 1.400 19395 5261 1 9 . 1 1 33 33 PHE H H 33 7.644 7.644 7.830 -0.186 19395 5262 1 9 . 1 1 34 34 ILE N N 34 117.776 117.776 118.634 -0.858 19395 5263 1 9 . 1 1 34 34 ILE HA H 34 3.347 3.347 2.974 0.373 19395 5264 1 9 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.224 1.798 19395 5265 1 9 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.416 -5.771 19395 5266 1 9 . 1 1 34 34 ILE H H 34 8.535 8.535 8.713 -0.178 19395 5267 1 9 . 1 1 35 35 GLU N N 35 119.202 119.202 118.947 0.255 19395 5268 1 9 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.900 0.027 19395 5269 1 9 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.617 0.129 19395 5270 1 9 . 1 1 35 35 GLU CB C 35 29.375 29.375 28.992 0.383 19395 5271 1 9 . 1 1 35 35 GLU H H 35 7.512 7.512 7.482 0.030 19395 5272 1 9 . 1 1 36 36 ASP N N 36 121.117 121.117 120.515 0.602 19395 5273 1 9 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.501 0.053 19395 5274 1 9 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.311 0.627 19395 5275 1 9 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.806 -0.687 19395 5276 1 9 . 1 1 36 36 ASP H H 36 8.049 8.049 7.870 0.179 19395 5277 1 9 . 1 1 37 37 LEU N N 37 119.257 119.257 116.362 2.895 19395 5278 1 9 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.260 -0.507 19395 5279 1 9 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.736 0.767 19395 5280 1 9 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.187 -1.227 19395 5281 1 9 . 1 1 37 37 LEU H H 37 8.016 8.016 7.508 0.508 19395 5282 1 9 . 1 1 38 38 LYS N N 38 117.743 117.743 119.860 -2.117 19395 5283 1 9 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.110 -0.012 19395 5284 1 9 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.367 -0.063 19395 5285 1 9 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.719 -0.452 19395 5286 1 9 . 1 1 38 38 LYS H H 38 8.336 8.336 7.923 0.413 19395 5287 1 9 . 1 1 39 39 LYS N N 39 122.164 122.164 117.923 4.241 19395 5288 1 9 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.100 0.056 19395 5289 1 9 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.783 0.650 19395 5290 1 9 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.102 0.309 19395 5291 1 9 . 1 1 39 39 LYS H H 39 8.113 8.113 8.201 -0.088 19395 5292 1 9 . 1 1 40 40 TYR N N 40 114.347 114.347 119.019 -4.672 19395 5293 1 9 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.351 0.044 19395 5294 1 9 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.650 0.000 19395 5295 1 9 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.232 1.464 19395 5296 1 9 . 1 1 40 40 TYR H H 40 7.626 7.626 7.910 -0.284 19395 5297 1 9 . 1 1 41 41 GLY N N 41 109.921 109.921 105.040 4.881 19395 5298 1 9 . 1 1 41 41 GLY CA C 41 46.766 46.766 45.174 1.592 19395 5299 1 9 . 1 1 41 41 GLY H H 41 7.878 7.878 7.276 0.602 19395 5300 1 9 . 1 1 42 42 ALA N N 42 123.757 123.757 122.954 0.803 19395 5301 1 9 . 1 1 42 42 ALA HA H 42 5.158 5.158 5.043 0.116 19395 5302 1 9 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.811 0.327 19395 5303 1 9 . 1 1 42 42 ALA CB C 42 19.909 19.909 21.001 -1.092 19395 5304 1 9 . 1 1 42 42 ALA H H 42 8.544 8.544 8.329 0.215 19395 5305 1 9 . 1 1 43 43 THR N N 43 109.574 109.574 114.696 -5.122 19395 5306 1 9 . 1 1 43 43 THR HA H 43 4.479 4.479 4.402 0.077 19395 5307 1 9 . 1 1 43 43 THR CA C 43 61.144 61.144 61.549 -0.405 19395 5308 1 9 . 1 1 43 43 THR CB C 43 69.180 69.180 68.262 0.918 19395 5309 1 9 . 1 1 43 43 THR H H 43 7.969 7.969 8.390 -0.421 19395 5310 1 9 . 1 1 44 44 THR N N 44 118.101 118.101 117.172 0.929 19395 5311 1 9 . 1 1 44 44 THR HA H 44 5.226 5.226 4.948 0.278 19395 5312 1 9 . 1 1 44 44 THR CA C 44 62.061 62.061 61.553 0.508 19395 5313 1 9 . 1 1 44 44 THR CB C 44 72.595 72.595 72.233 0.362 19395 5314 1 9 . 1 1 44 44 THR H H 44 7.458 7.458 7.555 -0.097 19395 5315 1 9 . 1 1 45 45 VAL N N 45 127.571 127.571 124.530 3.041 19395 5316 1 9 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.571 0.131 19395 5317 1 9 . 1 1 45 45 VAL CA C 45 60.504 60.504 59.818 0.686 19395 5318 1 9 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.621 2.561 19395 5319 1 9 . 1 1 45 45 VAL H H 45 9.398 9.398 9.010 0.388 19395 5320 1 9 . 1 1 46 46 VAL N N 46 129.011 129.011 121.917 7.094 19395 5321 1 9 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.336 -0.006 19395 5322 1 9 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.487 -0.970 19395 5323 1 9 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.828 2.404 19395 5324 1 9 . 1 1 46 46 VAL H H 46 9.342 9.342 9.003 0.339 19395 5325 1 9 . 1 1 47 47 ARG N N 47 129.852 129.852 119.486 10.366 19395 5326 1 9 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.071 0.224 19395 5327 1 9 . 1 1 47 47 ARG CA C 47 56.019 56.019 56.980 -0.961 19395 5328 1 9 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.084 0.733 19395 5329 1 9 . 1 1 47 47 ARG H H 47 9.037 9.037 7.890 1.147 19395 5330 1 9 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.741 -0.807 19395 5331 1 9 . 1 1 49 49 CYS CA C 49 55.688 55.688 56.949 -1.261 19395 5332 1 9 . 1 1 49 49 CYS CB C 49 41.121 41.121 28.849 12.272 19395 5333 1 9 . 1 1 50 50 GLU N N 50 114.931 114.931 121.474 -6.543 19395 5334 1 9 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.256 -0.170 19395 5335 1 9 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.252 0.048 19395 5336 1 9 . 1 1 50 50 GLU CB C 50 29.445 29.445 28.218 1.227 19395 5337 1 9 . 1 1 50 50 GLU H H 50 8.669 8.669 8.479 0.190 19395 5338 1 9 . 1 1 51 51 VAL N N 51 122.453 122.453 118.372 4.081 19395 5339 1 9 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.113 -0.692 19395 5340 1 9 . 1 1 51 51 VAL CA C 51 64.120 64.120 62.668 1.452 19395 5341 1 9 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.015 0.015 19395 5342 1 9 . 1 1 51 51 VAL H H 51 8.356 8.356 7.822 0.534 19395 5343 1 9 . 1 1 52 52 THR N N 52 118.382 118.382 113.494 4.888 19395 5344 1 9 . 1 1 52 52 THR HA H 52 4.525 4.525 4.311 0.214 19395 5345 1 9 . 1 1 52 52 THR CA C 52 61.197 61.197 61.143 0.054 19395 5346 1 9 . 1 1 52 52 THR CB C 52 69.429 69.429 68.670 0.759 19395 5347 1 9 . 1 1 52 52 THR H H 52 8.936 8.936 7.926 1.010 19395 5348 1 9 . 1 1 53 53 TYR N N 53 116.747 116.747 118.386 -1.639 19395 5349 1 9 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.787 -0.025 19395 5350 1 9 . 1 1 53 53 TYR CA C 53 55.653 55.653 56.609 -0.956 19395 5351 1 9 . 1 1 53 53 TYR CB C 53 39.833 39.833 39.847 -0.014 19395 5352 1 9 . 1 1 53 53 TYR H H 53 7.040 7.040 7.317 -0.277 19395 5353 1 9 . 1 1 54 54 ASP N N 54 123.720 123.720 123.516 0.204 19395 5354 1 9 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.548 -0.040 19395 5355 1 9 . 1 1 54 54 ASP CA C 54 53.571 53.571 53.949 -0.378 19395 5356 1 9 . 1 1 54 54 ASP CB C 54 41.364 41.364 42.163 -0.799 19395 5357 1 9 . 1 1 54 54 ASP H H 54 9.280 9.280 8.504 0.776 19395 5358 1 9 . 1 1 55 55 LYS N N 55 121.455 121.455 121.870 -0.415 19395 5359 1 9 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.470 0.049 19395 5360 1 9 . 1 1 55 55 LYS CA C 55 56.944 56.944 57.267 -0.323 19395 5361 1 9 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.991 0.949 19395 5362 1 9 . 1 1 55 55 LYS H H 55 8.497 8.497 8.370 0.127 19395 5363 1 9 . 1 1 56 56 THR N N 56 120.743 120.743 117.633 3.110 19395 5364 1 9 . 1 1 56 56 THR HA H 56 4.120 4.120 4.669 -0.549 19395 5365 1 9 . 1 1 56 56 THR CA C 56 68.652 68.652 62.683 5.969 19395 5366 1 9 . 1 1 56 56 THR CB C 56 66.508 66.508 68.757 -2.249 19395 5367 1 9 . 1 1 56 56 THR H H 56 8.701 8.701 8.526 0.175 19395 5368 1 9 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.459 -0.168 19395 5369 1 9 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.475 0.358 19395 5370 1 9 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.140 0.251 19395 5371 1 9 . 1 1 58 58 LEU N N 58 116.313 116.313 117.454 -1.141 19395 5372 1 9 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.194 -0.140 19395 5373 1 9 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.523 1.619 19395 5374 1 9 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.294 0.060 19395 5375 1 9 . 1 1 58 58 LEU H H 58 7.170 7.170 8.193 -1.023 19395 5376 1 9 . 1 1 59 59 GLU N N 59 120.470 120.470 120.364 0.106 19395 5377 1 9 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.066 0.325 19395 5378 1 9 . 1 1 59 59 GLU CA C 59 59.104 59.104 59.370 -0.266 19395 5379 1 9 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.490 -0.164 19395 5380 1 9 . 1 1 59 59 GLU H H 59 7.794 7.794 8.661 -0.867 19395 5381 1 9 . 1 1 60 60 LYS N N 60 119.911 119.911 118.851 1.060 19395 5382 1 9 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.256 -0.148 19395 5383 1 9 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.440 1.115 19395 5384 1 9 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.112 -0.049 19395 5385 1 9 . 1 1 60 60 LYS H H 60 8.246 8.246 7.907 0.339 19395 5386 1 9 . 1 1 61 61 ASP N N 61 119.142 119.142 117.468 1.674 19395 5387 1 9 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.700 0.270 19395 5388 1 9 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.095 -0.316 19395 5389 1 9 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.722 1.165 19395 5390 1 9 . 1 1 61 61 ASP H H 61 7.235 7.235 7.568 -0.333 19395 5391 1 9 . 1 1 62 62 GLY N N 62 105.820 105.820 107.725 -1.905 19395 5392 1 9 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.930 0.112 19395 5393 1 9 . 1 1 62 62 GLY H H 62 7.742 7.742 7.533 0.209 19395 5394 1 9 . 1 1 63 63 ILE N N 63 123.074 123.074 119.688 3.386 19395 5395 1 9 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.182 0.156 19395 5396 1 9 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.262 -0.732 19395 5397 1 9 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.322 -0.804 19395 5398 1 9 . 1 1 63 63 ILE H H 63 7.870 7.870 7.832 0.038 19395 5399 1 9 . 1 1 64 64 THR N N 64 123.510 123.510 123.819 -0.309 19395 5400 1 9 . 1 1 64 64 THR HA H 64 4.316 4.316 4.265 0.051 19395 5401 1 9 . 1 1 64 64 THR CA C 64 63.015 63.015 62.862 0.153 19395 5402 1 9 . 1 1 64 64 THR CB C 64 70.376 70.376 69.269 1.107 19395 5403 1 9 . 1 1 64 64 THR H H 64 8.200 8.200 8.730 -0.530 19395 5404 1 9 . 1 1 65 65 VAL N N 65 128.299 128.299 128.385 -0.086 19395 5405 1 9 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.064 0.984 19395 5406 1 9 . 1 1 65 65 VAL CA C 65 61.047 61.047 61.790 -0.743 19395 5407 1 9 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.261 0.855 19395 5408 1 9 . 1 1 65 65 VAL H H 65 8.919 8.919 8.661 0.258 19395 5409 1 9 . 1 1 66 66 VAL N N 66 129.962 129.962 130.466 -0.504 19395 5410 1 9 . 1 1 66 66 VAL HA H 66 3.927 3.927 4.106 -0.179 19395 5411 1 9 . 1 1 66 66 VAL CA C 66 60.683 60.683 60.776 -0.093 19395 5412 1 9 . 1 1 66 66 VAL CB C 66 33.620 33.620 30.867 2.753 19395 5413 1 9 . 1 1 66 66 VAL H H 66 9.145 9.145 7.967 1.178 19395 5414 1 9 . 1 1 67 67 ASP N N 67 126.437 126.437 123.796 2.641 19395 5415 1 9 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.798 0.521 19395 5416 1 9 . 1 1 67 67 ASP CA C 67 54.170 54.170 52.085 2.085 19395 5417 1 9 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.120 1.951 19395 5418 1 9 . 1 1 67 67 ASP H H 67 8.099 8.099 7.253 0.846 19395 5419 1 9 . 1 1 68 68 TRP N N 68 125.863 125.863 121.395 4.468 19395 5420 1 9 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.784 0.756 19395 5421 1 9 . 1 1 68 68 TRP CA C 68 51.631 51.631 54.311 -2.680 19395 5422 1 9 . 1 1 68 68 TRP CB C 68 30.303 30.303 31.988 -1.685 19395 5423 1 9 . 1 1 68 68 TRP H H 68 8.305 8.305 7.671 0.634 19395 5424 1 9 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.449 -0.464 19395 5425 1 9 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.011 -0.068 19395 5426 1 9 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.147 1.397 19395 5427 1 9 . 1 1 70 70 PHE N N 70 113.153 113.153 118.625 -5.472 19395 5428 1 9 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.453 0.307 19395 5429 1 9 . 1 1 70 70 PHE CA C 70 56.067 56.067 58.281 -2.214 19395 5430 1 9 . 1 1 70 70 PHE CB C 70 39.334 39.334 39.398 -0.064 19395 5431 1 9 . 1 1 70 70 PHE H H 70 7.237 7.237 8.423 -1.186 19395 5432 1 9 . 1 1 71 71 ASP N N 71 120.632 120.632 121.399 -0.767 19395 5433 1 9 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.633 -0.351 19395 5434 1 9 . 1 1 71 71 ASP CA C 71 55.907 55.907 54.301 1.606 19395 5435 1 9 . 1 1 71 71 ASP CB C 71 41.099 41.099 39.835 1.264 19395 5436 1 9 . 1 1 71 71 ASP H H 71 8.514 8.514 8.029 0.485 19395 5437 1 9 . 1 1 73 73 GLY H H 73 8.510 8.510 8.380 0.130 19395 5438 1 9 . 1 1 74 74 ALA N N 74 123.138 123.138 122.509 0.629 19395 5439 1 9 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.077 0.763 19395 5440 1 9 . 1 1 74 74 ALA CA C 74 50.106 50.106 51.770 -1.665 19395 5441 1 9 . 1 1 74 74 ALA CB C 74 20.264 20.264 17.818 2.446 19395 5442 1 9 . 1 1 74 74 ALA H H 74 7.833 7.833 8.198 -0.365 19395 5443 1 9 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.276 0.180 19395 5444 1 9 . 1 1 79 79 LYS N N 79 119.944 119.944 118.441 1.503 19395 5445 1 9 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.225 -0.285 19395 5446 1 9 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.960 0.864 19395 5447 1 9 . 1 1 79 79 LYS CB C 79 32.310 32.310 32.857 -0.547 19395 5448 1 9 . 1 1 79 79 LYS H H 79 8.425 8.425 8.240 0.185 19395 5449 1 9 . 1 1 80 80 VAL N N 80 116.231 116.231 117.289 -1.058 19395 5450 1 9 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.501 -0.106 19395 5451 1 9 . 1 1 80 80 VAL CA C 80 64.913 64.913 64.659 0.254 19395 5452 1 9 . 1 1 80 80 VAL CB C 80 31.293 31.293 30.492 0.801 19395 5453 1 9 . 1 1 80 80 VAL H H 80 6.338 6.338 8.229 -1.891 19395 5454 1 9 . 1 1 81 81 VAL N N 81 118.082 118.082 115.885 2.197 19395 5455 1 9 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.596 -0.411 19395 5456 1 9 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.549 2.075 19395 5457 1 9 . 1 1 81 81 VAL CB C 81 31.645 31.645 31.146 0.499 19395 5458 1 9 . 1 1 81 81 VAL H H 81 7.362 7.362 7.333 0.029 19395 5459 1 9 . 1 1 82 82 GLU N N 82 117.196 117.196 119.052 -1.856 19395 5460 1 9 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.890 0.046 19395 5461 1 9 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.459 0.035 19395 5462 1 9 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.244 0.207 19395 5463 1 9 . 1 1 82 82 GLU H H 82 7.878 7.878 7.662 0.216 19395 5464 1 9 . 1 1 83 83 ASP N N 83 121.828 121.828 119.963 1.865 19395 5465 1 9 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.233 0.006 19395 5466 1 9 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.348 0.931 19395 5467 1 9 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.471 -1.323 19395 5468 1 9 . 1 1 83 83 ASP H H 83 8.156 8.156 7.768 0.388 19395 5469 1 9 . 1 1 84 84 TRP N N 84 124.374 124.374 121.598 2.776 19395 5470 1 9 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.172 0.752 19395 5471 1 9 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.601 -0.579 19395 5472 1 9 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.717 0.093 19395 5473 1 9 . 1 1 84 84 TRP H H 84 8.939 8.939 7.733 1.206 19395 5474 1 9 . 1 1 85 85 LEU N N 85 117.918 117.918 117.379 0.539 19395 5475 1 9 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.019 -0.259 19395 5476 1 9 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.575 0.423 19395 5477 1 9 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.321 1.008 19395 5478 1 9 . 1 1 85 85 LEU H H 85 8.723 8.723 8.010 0.713 19395 5479 1 9 . 1 1 86 86 SER N N 86 114.182 114.182 115.105 -0.923 19395 5480 1 9 . 1 1 86 86 SER HA H 86 4.187 4.187 4.086 0.101 19395 5481 1 9 . 1 1 86 86 SER CA C 86 61.997 61.997 61.554 0.443 19395 5482 1 9 . 1 1 86 86 SER CB C 86 62.984 62.984 63.123 -0.139 19395 5483 1 9 . 1 1 86 86 SER H H 86 8.067 8.067 7.973 0.094 19395 5484 1 9 . 1 1 87 87 LEU N N 87 125.441 125.441 122.068 3.373 19395 5485 1 9 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.071 0.139 19395 5486 1 9 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.129 0.808 19395 5487 1 9 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.638 0.941 19395 5488 1 9 . 1 1 87 87 LEU H H 87 8.300 8.300 8.303 -0.003 19395 5489 1 9 . 1 1 88 88 VAL N N 88 116.784 116.784 119.260 -2.476 19395 5490 1 9 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.640 -0.574 19395 5491 1 9 . 1 1 88 88 VAL CA C 88 66.385 66.385 67.883 -1.498 19395 5492 1 9 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.558 -0.794 19395 5493 1 9 . 1 1 88 88 VAL H H 88 8.468 8.468 7.891 0.577 19395 5494 1 9 . 1 1 89 89 LYS N N 89 118.569 118.569 118.292 0.277 19395 5495 1 9 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.313 -0.288 19395 5496 1 9 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.822 0.654 19395 5497 1 9 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.394 0.462 19395 5498 1 9 . 1 1 89 89 LYS H H 89 7.652 7.652 8.488 -0.836 19395 5499 1 9 . 1 1 90 90 ALA N N 90 119.043 119.043 121.645 -2.602 19395 5500 1 9 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.304 -0.153 19395 5501 1 9 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.964 1.081 19395 5502 1 9 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.669 -1.215 19395 5503 1 9 . 1 1 90 90 ALA H H 90 7.616 7.616 7.988 -0.372 19395 5504 1 9 . 1 1 91 91 LYS N N 91 117.654 117.654 120.515 -2.861 19395 5505 1 9 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.969 -0.031 19395 5506 1 9 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.047 -1.293 19395 5507 1 9 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.953 -1.790 19395 5508 1 9 . 1 1 91 91 LYS H H 91 8.658 8.658 8.604 0.054 19395 5509 1 9 . 1 1 92 92 PHE N N 92 113.471 113.471 118.167 -4.696 19395 5510 1 9 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.352 0.267 19395 5511 1 9 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.389 -0.794 19395 5512 1 9 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.170 -1.486 19395 5513 1 9 . 1 1 92 92 PHE H H 92 7.472 7.472 8.385 -0.913 19395 5514 1 9 . 1 1 93 93 CYS N N 93 117.138 117.138 119.122 -1.984 19395 5515 1 9 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.751 0.612 19395 5516 1 9 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.495 2.469 19395 5517 1 9 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.343 0.135 19395 5518 1 9 . 1 1 93 93 CYS H H 93 7.562 7.562 7.565 -0.003 19395 5519 1 9 . 1 1 94 94 GLU N N 94 118.594 118.594 120.421 -1.827 19395 5520 1 9 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.274 -0.147 19395 5521 1 9 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.652 1.389 19395 5522 1 9 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.032 0.041 19395 5523 1 9 . 1 1 94 94 GLU H H 94 8.236 8.236 8.401 -0.165 19395 5524 1 9 . 1 1 95 95 ALA N N 95 121.081 121.081 123.172 -2.091 19395 5525 1 9 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.744 0.133 19395 5526 1 9 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.103 0.266 19395 5527 1 9 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.902 -1.778 19395 5528 1 9 . 1 1 95 95 ALA H H 95 7.898 7.898 7.554 0.344 19395 5529 1 9 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.372 0.451 19395 5530 1 9 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.401 0.566 19395 5531 1 9 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.485 1.071 19395 5532 1 9 . 1 1 97 97 GLY N N 97 113.478 113.478 113.026 0.452 19395 5533 1 9 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.799 -0.100 19395 5534 1 9 . 1 1 97 97 GLY H H 97 9.198 9.198 8.200 0.998 19395 5535 1 9 . 1 1 98 98 SER N N 98 115.643 115.643 114.671 0.972 19395 5536 1 9 . 1 1 98 98 SER HA H 98 4.560 4.560 4.307 0.253 19395 5537 1 9 . 1 1 98 98 SER CA C 98 58.923 58.923 60.011 -1.088 19395 5538 1 9 . 1 1 98 98 SER CB C 98 64.427 64.427 64.353 0.074 19395 5539 1 9 . 1 1 98 98 SER H H 98 8.066 8.066 7.924 0.142 19395 5540 1 9 . 1 1 99 99 CYS N N 99 115.484 115.484 116.668 -1.184 19395 5541 1 9 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.305 0.092 19395 5542 1 9 . 1 1 99 99 CYS CA C 99 55.787 55.787 56.876 -1.089 19395 5543 1 9 . 1 1 99 99 CYS CB C 99 29.985 29.985 32.075 -2.090 19395 5544 1 9 . 1 1 99 99 CYS H H 99 7.532 7.532 8.293 -0.761 19395 5545 1 9 . 1 1 100 100 VAL N N 100 128.065 128.065 119.490 8.575 19395 5546 1 9 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.400 -0.092 19395 5547 1 9 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.248 2.382 19395 5548 1 9 . 1 1 100 100 VAL CB C 100 34.384 34.384 34.796 -0.412 19395 5549 1 9 . 1 1 100 100 VAL H H 100 8.392 8.392 8.641 -0.249 19395 5550 1 9 . 1 1 101 101 ALA N N 101 130.346 130.346 130.423 -0.077 19395 5551 1 9 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.803 0.957 19395 5552 1 9 . 1 1 101 101 ALA CA C 101 50.101 50.101 50.380 -0.279 19395 5553 1 9 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.497 1.621 19395 5554 1 9 . 1 1 101 101 ALA H H 101 8.882 8.882 8.344 0.538 19395 5555 1 9 . 1 1 102 102 VAL N N 102 120.866 120.866 118.112 2.754 19395 5556 1 9 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.743 0.880 19395 5557 1 9 . 1 1 102 102 VAL CA C 102 58.795 58.795 60.024 -1.229 19395 5558 1 9 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.918 -0.778 19395 5559 1 9 . 1 1 102 102 VAL H H 102 9.359 9.359 8.964 0.395 19395 5560 1 9 . 1 1 103 103 HIS N N 103 120.019 120.019 123.279 -3.260 19395 5561 1 9 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.827 -0.044 19395 5562 1 9 . 1 1 103 103 HIS CA C 103 55.292 55.292 57.191 -1.899 19395 5563 1 9 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.260 2.772 19395 5564 1 9 . 1 1 103 103 HIS H H 103 8.749 8.749 8.565 0.184 19395 5565 1 9 . 1 1 104 104 CYS N N 104 118.175 118.175 125.405 -7.230 19395 5566 1 9 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.807 -0.110 19395 5567 1 9 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.588 -1.323 19395 5568 1 9 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.652 2.526 19395 5569 1 9 . 1 1 104 104 CYS H H 104 8.428 8.428 8.115 0.313 19395 5570 1 9 . 1 1 105 105 VAL N N 105 125.962 125.962 126.833 -0.871 19395 5571 1 9 . 1 1 105 105 VAL HA H 105 4.219 4.219 4.000 0.219 19395 5572 1 9 . 1 1 105 105 VAL CA C 105 66.483 66.483 64.047 2.436 19395 5573 1 9 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.391 -0.008 19395 5574 1 9 . 1 1 105 105 VAL H H 105 8.422 8.422 8.441 -0.019 19395 5575 1 9 . 1 1 106 106 ALA N N 106 123.180 123.180 119.832 3.348 19395 5576 1 9 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.508 0.187 19395 5577 1 9 . 1 1 106 106 ALA CA C 106 52.862 52.862 53.217 -0.355 19395 5578 1 9 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.219 0.904 19395 5579 1 9 . 1 1 106 106 ALA H H 106 9.997 9.997 8.217 1.780 19395 5580 1 9 . 1 1 107 107 GLY N N 107 109.076 109.076 106.723 2.353 19395 5581 1 9 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.679 1.940 19395 5582 1 9 . 1 1 107 107 GLY H H 107 8.019 8.019 7.837 0.182 19395 5583 1 9 . 1 1 108 108 LEU N N 108 117.413 117.413 122.653 -5.240 19395 5584 1 9 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.775 0.689 19395 5585 1 9 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.316 0.466 19395 5586 1 9 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.568 4.252 19395 5587 1 9 . 1 1 108 108 LEU H H 108 7.598 7.598 8.369 -0.771 19395 5588 1 9 . 1 1 109 109 GLY N N 109 111.143 111.143 107.618 3.525 19395 5589 1 9 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.639 0.002 19395 5590 1 9 . 1 1 109 109 GLY H H 109 10.576 10.576 8.749 1.827 19395 5591 1 9 . 1 1 110 110 ARG N N 110 127.464 127.464 123.912 3.552 19395 5592 1 9 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.887 -0.332 19395 5593 1 9 . 1 1 110 110 ARG CA C 110 60.426 60.426 58.628 1.798 19395 5594 1 9 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.091 3.092 19395 5595 1 9 . 1 1 110 110 ARG H H 110 10.234 10.234 8.456 1.778 19395 5596 1 9 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.280 -0.396 19395 5597 1 9 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.574 0.958 19395 5598 1 9 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.510 -0.601 19395 5599 1 9 . 1 1 113 113 VAL N N 113 116.720 116.720 119.741 -3.021 19395 5600 1 9 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.610 -0.050 19395 5601 1 9 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.746 -0.016 19395 5602 1 9 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.800 -1.277 19395 5603 1 9 . 1 1 113 113 VAL H H 113 8.340 8.340 8.524 -0.184 19395 5604 1 9 . 1 1 114 114 LEU N N 114 119.045 119.045 119.910 -0.865 19395 5605 1 9 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.292 -0.634 19395 5606 1 9 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.452 -0.422 19395 5607 1 9 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.358 -2.559 19395 5608 1 9 . 1 1 114 114 LEU H H 114 6.990 6.990 8.478 -1.488 19395 5609 1 9 . 1 1 115 115 VAL N N 115 120.270 120.270 115.059 5.211 19395 5610 1 9 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.270 -0.227 19395 5611 1 9 . 1 1 115 115 VAL CA C 115 67.509 67.509 65.934 1.575 19395 5612 1 9 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.084 -0.297 19395 5613 1 9 . 1 1 115 115 VAL H H 115 7.188 7.188 7.608 -0.420 19395 5614 1 9 . 1 1 116 116 ALA N N 116 121.280 121.280 123.045 -1.765 19395 5615 1 9 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.035 -0.274 19395 5616 1 9 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.029 0.828 19395 5617 1 9 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.544 -0.676 19395 5618 1 9 . 1 1 116 116 ALA H H 116 8.649 8.649 8.131 0.518 19395 5619 1 9 . 1 1 117 117 LEU N N 117 116.557 116.557 120.221 -3.664 19395 5620 1 9 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.909 -0.141 19395 5621 1 9 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.837 0.522 19395 5622 1 9 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.885 2.182 19395 5623 1 9 . 1 1 117 117 LEU H H 117 8.048 8.048 7.638 0.410 19395 5624 1 9 . 1 1 118 118 ALA N N 118 119.916 119.916 119.827 0.089 19395 5625 1 9 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.570 0.499 19395 5626 1 9 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.269 1.095 19395 5627 1 9 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.425 1.202 19395 5628 1 9 . 1 1 118 118 ALA H H 118 7.691 7.691 6.803 0.888 19395 5629 1 9 . 1 1 119 119 LEU N N 119 116.962 116.962 119.942 -2.980 19395 5630 1 9 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.072 -0.197 19395 5631 1 9 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.483 0.942 19395 5632 1 9 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.766 -1.981 19395 5633 1 9 . 1 1 119 119 LEU H H 119 7.988 7.988 7.426 0.562 19395 5634 1 9 . 1 1 120 120 ILE N N 120 123.209 123.209 119.498 3.711 19395 5635 1 9 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.945 0.804 19395 5636 1 9 . 1 1 120 120 ILE CA C 120 64.104 64.104 64.255 -0.151 19395 5637 1 9 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.717 1.525 19395 5638 1 9 . 1 1 120 120 ILE H H 120 8.643 8.643 8.159 0.484 19395 5639 1 9 . 1 1 121 121 GLU N N 121 121.219 121.219 118.658 2.561 19395 5640 1 9 . 1 1 121 121 GLU HA H 121 4.508 4.508 3.987 0.521 19395 5641 1 9 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.297 -0.158 19395 5642 1 9 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.997 0.236 19395 5643 1 9 . 1 1 121 121 GLU H H 121 8.680 8.680 7.815 0.865 19395 5644 1 9 . 1 1 122 122 SER N N 122 114.306 114.306 112.303 2.003 19395 5645 1 9 . 1 1 122 122 SER HA H 122 4.783 4.783 4.207 0.576 19395 5646 1 9 . 1 1 122 122 SER CA C 122 58.581 58.581 59.687 -1.106 19395 5647 1 9 . 1 1 122 122 SER CB C 122 64.656 64.656 63.661 0.995 19395 5648 1 9 . 1 1 122 122 SER H H 122 7.834 7.834 7.731 0.103 19395 5649 1 9 . 1 1 123 123 GLY N N 123 108.666 108.666 109.289 -0.623 19395 5650 1 9 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.538 0.542 19395 5651 1 9 . 1 1 123 123 GLY H H 123 7.902 7.902 7.909 -0.007 19395 5652 1 9 . 1 1 124 124 MET N N 124 123.358 123.358 119.854 3.504 19395 5653 1 9 . 1 1 124 124 MET HA H 124 4.258 4.258 4.679 -0.421 19395 5654 1 9 . 1 1 124 124 MET CA C 124 56.698 56.698 53.413 3.284 19395 5655 1 9 . 1 1 124 124 MET CB C 124 34.104 34.104 35.714 -1.610 19395 5656 1 9 . 1 1 124 124 MET H H 124 7.970 7.970 7.426 0.544 19395 5657 1 9 . 1 1 125 125 LYS N N 125 125.848 125.848 123.697 2.151 19395 5658 1 9 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.374 -0.080 19395 5659 1 9 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.475 0.434 19395 5660 1 9 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.364 0.373 19395 5661 1 9 . 1 1 125 125 LYS H H 125 8.903 8.903 8.445 0.458 19395 5662 1 9 . 1 1 126 126 TYR N N 126 124.016 124.016 127.622 -3.606 19395 5663 1 9 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.978 0.082 19395 5664 1 9 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.476 -0.742 19395 5665 1 9 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.894 0.048 19395 5666 1 9 . 1 1 126 126 TYR H H 126 9.242 9.242 9.103 0.139 19395 5667 1 9 . 1 1 127 127 GLU N N 127 119.702 119.702 118.121 1.581 19395 5668 1 9 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.222 0.171 19395 5669 1 9 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.625 0.590 19395 5670 1 9 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.577 0.408 19395 5671 1 9 . 1 1 127 127 GLU H H 127 9.102 9.102 8.695 0.407 19395 5672 1 9 . 1 1 128 128 ASP N N 128 118.661 118.661 119.281 -0.620 19395 5673 1 9 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.318 0.093 19395 5674 1 9 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.070 -0.496 19395 5675 1 9 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.630 -0.524 19395 5676 1 9 . 1 1 128 128 ASP H H 128 6.782 6.782 8.085 -1.303 19395 5677 1 9 . 1 1 129 129 ALA N N 129 125.068 125.068 122.602 2.466 19395 5678 1 9 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.019 0.208 19395 5679 1 9 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.314 0.098 19395 5680 1 9 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.446 -0.134 19395 5681 1 9 . 1 1 129 129 ALA H H 129 8.365 8.365 8.353 0.012 19395 5682 1 9 . 1 1 130 130 ILE N N 130 115.533 115.533 119.236 -3.703 19395 5683 1 9 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.650 -0.159 19395 5684 1 9 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.822 1.294 19395 5685 1 9 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.201 0.585 19395 5686 1 9 . 1 1 130 130 ILE H H 130 8.044 8.044 8.386 -0.342 19395 5687 1 9 . 1 1 131 131 GLN N N 131 118.503 118.503 117.894 0.609 19395 5688 1 9 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.987 0.029 19395 5689 1 9 . 1 1 131 131 GLN CA C 131 58.791 58.791 58.373 0.418 19395 5690 1 9 . 1 1 131 131 GLN CB C 131 28.439 28.439 27.875 0.564 19395 5691 1 9 . 1 1 131 131 GLN H H 131 7.426 7.426 8.252 -0.826 19395 5692 1 9 . 1 1 132 132 PHE N N 132 120.679 120.679 121.541 -0.862 19395 5693 1 9 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.242 0.081 19395 5694 1 9 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.559 -0.384 19395 5695 1 9 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.008 0.842 19395 5696 1 9 . 1 1 132 132 PHE H H 132 8.416 8.416 7.895 0.521 19395 5697 1 9 . 1 1 133 133 ILE N N 133 116.466 116.466 115.725 0.741 19395 5698 1 9 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.668 -0.179 19395 5699 1 9 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.009 -0.012 19395 5700 1 9 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.719 -0.158 19395 5701 1 9 . 1 1 133 133 ILE H H 133 7.964 7.964 7.990 -0.026 19395 5702 1 9 . 1 1 134 134 ARG N N 134 119.204 119.204 119.508 -0.304 19395 5703 1 9 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.252 0.070 19395 5704 1 9 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.388 0.772 19395 5705 1 9 . 1 1 134 134 ARG CB C 134 30.212 30.212 31.106 -0.894 19395 5706 1 9 . 1 1 134 134 ARG H H 134 8.449 8.449 8.400 0.049 19395 5707 1 9 . 1 1 135 135 GLN N N 135 117.511 117.511 118.931 -1.420 19395 5708 1 9 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.155 -0.118 19395 5709 1 9 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.172 0.165 19395 5710 1 9 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.204 0.235 19395 5711 1 9 . 1 1 135 135 GLN H H 135 7.829 7.829 8.266 -0.437 19395 5712 1 9 . 1 1 136 136 LYS N N 136 116.364 116.364 117.030 -0.666 19395 5713 1 9 . 1 1 136 136 LYS HA H 136 4.294 4.294 3.989 0.305 19395 5714 1 9 . 1 1 136 136 LYS CA C 136 56.209 56.209 58.016 -1.807 19395 5715 1 9 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.330 0.649 19395 5716 1 9 . 1 1 136 136 LYS H H 136 7.280 7.280 7.766 -0.486 19395 5717 1 9 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.788 -0.942 19395 5718 1 9 . 1 1 140 140 ALA N N 140 121.841 121.841 121.364 0.477 19395 5719 1 9 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.076 0.280 19395 5720 1 9 . 1 1 140 140 ALA CA C 140 53.327 53.327 54.319 -0.992 19395 5721 1 9 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.294 0.279 19395 5722 1 9 . 1 1 140 140 ALA H H 140 7.553 7.553 8.213 -0.660 19395 5723 1 9 . 1 1 141 141 ILE N N 141 113.228 113.228 116.005 -2.777 19395 5724 1 9 . 1 1 141 141 ILE HA H 141 3.338 3.338 3.989 -0.651 19395 5725 1 9 . 1 1 141 141 ILE CA C 141 65.889 65.889 62.282 3.607 19395 5726 1 9 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.713 -4.525 19395 5727 1 9 . 1 1 141 141 ILE H H 141 8.744 8.744 8.012 0.732 19395 5728 1 9 . 1 1 142 142 ASN N N 142 126.808 126.808 117.355 9.453 19395 5729 1 9 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.439 0.284 19395 5730 1 9 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.199 -3.116 19395 5731 1 9 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.643 -0.713 19395 5732 1 9 . 1 1 142 142 ASN H H 142 8.538 8.538 8.476 0.062 19395 5733 1 9 . 1 1 144 144 LYS HA H 144 4.167 4.167 4.040 0.127 19395 5734 1 9 . 1 1 145 145 GLN N N 145 120.931 120.931 118.513 2.418 19395 5735 1 9 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.082 -0.347 19395 5736 1 9 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.306 0.529 19395 5737 1 9 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.864 -0.061 19395 5738 1 9 . 1 1 145 145 GLN H H 145 8.737 8.737 7.966 0.771 19395 5739 1 9 . 1 1 146 146 LEU N N 146 122.433 122.433 120.408 2.025 19395 5740 1 9 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.250 -0.275 19395 5741 1 9 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.489 0.525 19395 5742 1 9 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.999 -0.203 19395 5743 1 9 . 1 1 146 146 LEU H H 146 8.917 8.917 7.831 1.086 19395 5744 1 9 . 1 1 147 147 THR N N 147 115.378 115.378 112.560 2.818 19395 5745 1 9 . 1 1 147 147 THR HA H 147 3.936 3.936 3.895 0.041 19395 5746 1 9 . 1 1 147 147 THR CA C 147 66.512 66.512 66.030 0.482 19395 5747 1 9 . 1 1 147 147 THR CB C 147 68.865 68.865 68.767 0.097 19395 5748 1 9 . 1 1 147 147 THR H H 147 7.948 7.948 7.638 0.310 19395 5749 1 9 . 1 1 148 148 TYR N N 148 120.402 120.402 123.821 -3.419 19395 5750 1 9 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.157 -0.075 19395 5751 1 9 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.475 -0.280 19395 5752 1 9 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.067 -0.090 19395 5753 1 9 . 1 1 148 148 TYR H H 148 7.366 7.366 8.066 -0.700 19395 5754 1 9 . 1 1 149 149 LEU N N 149 119.957 119.957 118.794 1.163 19395 5755 1 9 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.463 0.265 19395 5756 1 9 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.518 1.023 19395 5757 1 9 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.489 2.074 19395 5758 1 9 . 1 1 149 149 LEU H H 149 7.968 7.968 7.736 0.232 19395 5759 1 9 . 1 1 150 150 GLU N N 150 120.132 120.132 117.955 2.177 19395 5760 1 9 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.608 -1.225 19395 5761 1 9 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.592 -0.130 19395 5762 1 9 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.625 -0.044 19395 5763 1 9 . 1 1 150 150 GLU H H 150 8.305 8.305 7.298 1.007 19395 5764 1 9 . 1 1 151 151 LYS N N 151 114.600 114.600 116.105 -1.505 19395 5765 1 9 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.173 -0.102 19395 5766 1 9 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.604 -0.972 19395 5767 1 9 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.734 -0.787 19395 5768 1 9 . 1 1 151 151 LYS H H 151 7.106 7.106 7.333 -0.227 19395 5769 1 9 . 1 1 152 152 TYR N N 152 123.664 123.664 121.780 1.884 19395 5770 1 9 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.182 -0.407 19395 5771 1 9 . 1 1 152 152 TYR CA C 152 59.659 59.659 59.168 0.491 19395 5772 1 9 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.894 -0.649 19395 5773 1 9 . 1 1 152 152 TYR H H 152 7.187 7.187 7.728 -0.541 19395 5774 1 9 . 1 1 153 153 ARG N N 153 130.321 130.321 125.351 4.970 19395 5775 1 9 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.519 0.246 19395 5776 1 9 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.789 -0.277 19395 5777 1 9 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.957 -1.777 19395 5778 1 9 . 1 1 153 153 ARG H H 153 7.760 7.760 7.679 0.081 19395 5779 1 9 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.686 -0.046 19395 5780 1 9 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.748 -0.693 19395 5781 1 9 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.288 1.315 19395 5782 1 9 . 1 1 155 155 LYS N N 155 122.066 122.066 122.214 -0.148 19395 5783 1 9 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.181 0.257 19395 5784 1 9 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.505 -0.582 19395 5785 1 9 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.290 1.153 19395 5786 1 9 . 1 1 155 155 LYS H H 155 9.586 9.586 8.550 1.036 19395 5787 1 9 . 1 1 156 156 GLN N N 156 117.702 117.702 114.897 2.805 19395 5788 1 9 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.229 0.137 19395 5789 1 9 . 1 1 156 156 GLN CA C 156 56.549 56.549 56.914 -0.365 19395 5790 1 9 . 1 1 156 156 GLN CB C 156 26.728 26.728 26.041 0.687 19395 5791 1 9 . 1 1 156 156 GLN H H 156 8.334 8.334 8.214 0.120 19395 5792 1 9 . 1 1 157 157 ARG N N 157 117.466 117.466 120.099 -2.633 19395 5793 1 9 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.354 -0.199 19395 5794 1 9 . 1 1 157 157 ARG CA C 157 58.022 58.022 58.055 -0.033 19395 5795 1 9 . 1 1 157 157 ARG CB C 157 30.769 30.769 30.920 -0.151 19395 5796 1 9 . 1 1 157 157 ARG H H 157 8.983 8.983 8.321 0.662 19395 5797 1 9 . 1 1 158 158 LEU N N 158 117.973 117.973 117.959 0.014 19395 5798 1 9 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.340 0.289 19395 5799 1 9 . 1 1 158 158 LEU CA C 158 53.469 53.469 55.800 -2.331 19395 5800 1 9 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.900 -1.395 19395 5801 1 9 . 1 1 158 158 LEU H H 158 8.123 8.123 7.903 0.220 19395 5802 1 9 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.319 -0.205 19395 5803 1 9 . 1 1 161 161 LYS CA C 161 56.487 56.487 55.032 1.455 19395 5804 1 9 . 1 1 161 161 LYS CB C 161 33.174 33.174 35.140 -1.966 19395 5805 1 9 . 1 1 161 161 LYS H H 161 7.856 7.856 8.245 -0.389 19395 5806 1 10 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.431 -0.084 19395 5807 1 10 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.819 -0.281 19395 5808 1 10 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.467 -0.675 19395 5809 1 10 . 1 1 8 8 ALA N N 8 126.708 126.708 126.737 -0.029 19395 5810 1 10 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.891 -0.280 19395 5811 1 10 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.537 0.771 19395 5812 1 10 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.436 -1.231 19395 5813 1 10 . 1 1 8 8 ALA H H 8 8.399 8.399 8.299 0.100 19395 5814 1 10 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.343 0.308 19395 5815 1 10 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.303 0.280 19395 5816 1 10 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.640 -0.129 19395 5817 1 10 . 1 1 10 10 VAL N N 10 118.581 118.581 119.556 -0.975 19395 5818 1 10 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.331 -0.030 19395 5819 1 10 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.099 -0.266 19395 5820 1 10 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.045 0.632 19395 5821 1 10 . 1 1 10 10 VAL H H 10 8.025 8.025 7.885 0.140 19395 5822 1 10 . 1 1 11 11 GLU N N 11 129.673 129.673 129.097 0.576 19395 5823 1 10 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.120 -0.035 19395 5824 1 10 . 1 1 11 11 GLU CA C 11 54.747 54.747 55.148 -0.401 19395 5825 1 10 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.571 0.558 19395 5826 1 10 . 1 1 11 11 GLU H H 11 8.723 8.723 8.794 -0.071 19395 5827 1 10 . 1 1 12 12 VAL N N 12 127.093 127.093 128.463 -1.370 19395 5828 1 10 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.523 -0.240 19395 5829 1 10 . 1 1 12 12 VAL CA C 12 61.596 61.596 59.435 2.161 19395 5830 1 10 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.978 0.568 19395 5831 1 10 . 1 1 12 12 VAL H H 12 9.247 9.247 9.115 0.132 19395 5832 1 10 . 1 1 13 13 SER N N 13 123.385 123.385 124.982 -1.597 19395 5833 1 10 . 1 1 13 13 SER HA H 13 5.302 5.302 4.781 0.521 19395 5834 1 10 . 1 1 13 13 SER CA C 13 56.409 56.409 58.008 -1.599 19395 5835 1 10 . 1 1 13 13 SER CB C 13 64.981 64.981 63.657 1.324 19395 5836 1 10 . 1 1 13 13 SER H H 13 9.001 9.001 8.660 0.341 19395 5837 1 10 . 1 1 14 14 TYR N N 14 124.413 124.413 127.397 -2.984 19395 5838 1 10 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.468 0.069 19395 5839 1 10 . 1 1 14 14 TYR CA C 14 58.233 58.233 58.209 0.024 19395 5840 1 10 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.935 1.644 19395 5841 1 10 . 1 1 14 14 TYR H H 14 8.347 8.347 8.646 -0.299 19395 5842 1 10 . 1 1 15 15 LYS N N 15 125.130 125.130 118.802 6.328 19395 5843 1 10 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.960 -0.561 19395 5844 1 10 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.605 -0.231 19395 5845 1 10 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.363 -2.469 19395 5846 1 10 . 1 1 15 15 LYS H H 15 8.820 8.820 8.301 0.519 19395 5847 1 10 . 1 1 16 16 HIS N N 16 121.278 121.278 116.068 5.210 19395 5848 1 10 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.670 -0.220 19395 5849 1 10 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.402 1.336 19395 5850 1 10 . 1 1 16 16 HIS CB C 16 30.229 30.229 31.150 -0.921 19395 5851 1 10 . 1 1 16 16 HIS H H 16 8.784 8.784 8.216 0.568 19395 5852 1 10 . 1 1 17 17 MET N N 17 120.113 120.113 116.822 3.291 19395 5853 1 10 . 1 1 17 17 MET HA H 17 2.326 2.326 4.926 -2.600 19395 5854 1 10 . 1 1 17 17 MET CA C 17 54.714 54.714 53.740 0.974 19395 5855 1 10 . 1 1 17 17 MET CB C 17 34.848 34.848 35.060 -0.212 19395 5856 1 10 . 1 1 17 17 MET H H 17 8.106 8.106 7.679 0.427 19395 5857 1 10 . 1 1 18 18 ARG N N 18 121.252 121.252 119.953 1.299 19395 5858 1 10 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.147 -0.308 19395 5859 1 10 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.565 0.229 19395 5860 1 10 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.596 0.220 19395 5861 1 10 . 1 1 18 18 ARG H H 18 5.904 5.904 8.604 -2.700 19395 5862 1 10 . 1 1 19 19 PHE N N 19 121.195 121.195 122.314 -1.119 19395 5863 1 10 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.112 0.888 19395 5864 1 10 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.777 -0.159 19395 5865 1 10 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.773 -0.157 19395 5866 1 10 . 1 1 19 19 PHE H H 19 9.178 9.178 9.316 -0.138 19395 5867 1 10 . 1 1 20 20 LEU N N 20 123.804 123.804 122.708 1.096 19395 5868 1 10 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.284 -0.174 19395 5869 1 10 . 1 1 20 20 LEU CA C 20 52.568 52.568 53.736 -1.168 19395 5870 1 10 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.788 2.095 19395 5871 1 10 . 1 1 20 20 LEU H H 20 8.601 8.601 9.277 -0.676 19395 5872 1 10 . 1 1 21 21 ILE N N 21 126.661 126.661 122.657 4.004 19395 5873 1 10 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.241 -0.110 19395 5874 1 10 . 1 1 21 21 ILE CA C 21 60.828 60.828 58.927 1.901 19395 5875 1 10 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.635 0.575 19395 5876 1 10 . 1 1 21 21 ILE H H 21 9.323 9.323 9.087 0.236 19395 5877 1 10 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.552 -0.223 19395 5878 1 10 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.536 -1.718 19395 5879 1 10 . 1 1 25 25 PRO CB C 25 32.524 32.524 32.154 0.370 19395 5880 1 10 . 1 1 26 26 THR N N 26 131.812 131.812 115.944 15.868 19395 5881 1 10 . 1 1 26 26 THR H H 26 6.781 6.781 7.977 -1.196 19395 5882 1 10 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.168 0.176 19395 5883 1 10 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.803 0.218 19395 5884 1 10 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.215 -0.032 19395 5885 1 10 . 1 1 29 29 THR N N 29 104.375 104.375 111.634 -7.259 19395 5886 1 10 . 1 1 29 29 THR HA H 29 4.847 4.847 4.307 0.540 19395 5887 1 10 . 1 1 29 29 THR CA C 29 60.370 60.370 61.717 -1.347 19395 5888 1 10 . 1 1 29 29 THR CB C 29 69.135 69.135 69.506 -0.371 19395 5889 1 10 . 1 1 29 29 THR H H 29 7.642 7.642 7.463 0.179 19395 5890 1 10 . 1 1 30 30 LEU N N 30 124.383 124.383 121.462 2.921 19395 5891 1 10 . 1 1 30 30 LEU HA H 30 4.013 4.013 4.156 -0.143 19395 5892 1 10 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.369 0.342 19395 5893 1 10 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.290 2.064 19395 5894 1 10 . 1 1 30 30 LEU H H 30 7.356 7.356 8.213 -0.857 19395 5895 1 10 . 1 1 31 31 SER N N 31 111.792 111.792 114.939 -3.147 19395 5896 1 10 . 1 1 31 31 SER H H 31 6.915 6.915 8.327 -1.412 19395 5897 1 10 . 1 1 32 32 THR N N 32 116.374 116.374 115.813 0.561 19395 5898 1 10 . 1 1 32 32 THR HA H 32 4.109 4.109 4.154 -0.045 19395 5899 1 10 . 1 1 32 32 THR CA C 32 65.142 65.142 65.693 -0.551 19395 5900 1 10 . 1 1 32 32 THR CB C 32 68.628 68.628 68.916 -0.288 19395 5901 1 10 . 1 1 32 32 THR H H 32 7.589 7.589 7.932 -0.343 19395 5902 1 10 . 1 1 33 33 PHE N N 33 124.790 124.790 123.723 1.067 19395 5903 1 10 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.545 -0.070 19395 5904 1 10 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.530 0.520 19395 5905 1 10 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.503 1.336 19395 5906 1 10 . 1 1 33 33 PHE H H 33 7.644 7.644 8.126 -0.482 19395 5907 1 10 . 1 1 34 34 ILE N N 34 117.776 117.776 117.648 0.128 19395 5908 1 10 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.117 0.230 19395 5909 1 10 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.361 1.661 19395 5910 1 10 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.275 -5.629 19395 5911 1 10 . 1 1 34 34 ILE H H 34 8.535 8.535 8.737 -0.202 19395 5912 1 10 . 1 1 35 35 GLU N N 35 119.202 119.202 119.432 -0.230 19395 5913 1 10 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.968 -0.041 19395 5914 1 10 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.747 -0.001 19395 5915 1 10 . 1 1 35 35 GLU CB C 35 29.375 29.375 28.979 0.396 19395 5916 1 10 . 1 1 35 35 GLU H H 35 7.512 7.512 7.546 -0.034 19395 5917 1 10 . 1 1 36 36 ASP N N 36 121.117 121.117 120.448 0.669 19395 5918 1 10 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.472 0.082 19395 5919 1 10 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.134 0.804 19395 5920 1 10 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.343 -0.224 19395 5921 1 10 . 1 1 36 36 ASP H H 36 8.049 8.049 8.317 -0.268 19395 5922 1 10 . 1 1 37 37 LEU N N 37 119.257 119.257 116.845 2.412 19395 5923 1 10 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.196 -0.443 19395 5924 1 10 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.755 0.748 19395 5925 1 10 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.009 -1.049 19395 5926 1 10 . 1 1 37 37 LEU H H 37 8.016 8.016 7.566 0.450 19395 5927 1 10 . 1 1 38 38 LYS N N 38 117.743 117.743 119.996 -2.253 19395 5928 1 10 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.069 0.029 19395 5929 1 10 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.454 -0.150 19395 5930 1 10 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.711 -0.442 19395 5931 1 10 . 1 1 38 38 LYS H H 38 8.336 8.336 7.889 0.447 19395 5932 1 10 . 1 1 39 39 LYS N N 39 122.164 122.164 117.760 4.404 19395 5933 1 10 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.081 0.075 19395 5934 1 10 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.862 0.571 19395 5935 1 10 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.053 0.358 19395 5936 1 10 . 1 1 39 39 LYS H H 39 8.113 8.113 8.167 -0.054 19395 5937 1 10 . 1 1 40 40 TYR N N 40 114.347 114.347 118.895 -4.548 19395 5938 1 10 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.288 0.107 19395 5939 1 10 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.709 -0.059 19395 5940 1 10 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.508 1.188 19395 5941 1 10 . 1 1 40 40 TYR H H 40 7.626 7.626 7.892 -0.266 19395 5942 1 10 . 1 1 41 41 GLY N N 41 109.921 109.921 104.704 5.217 19395 5943 1 10 . 1 1 41 41 GLY CA C 41 46.766 46.766 44.983 1.782 19395 5944 1 10 . 1 1 41 41 GLY H H 41 7.878 7.878 7.420 0.458 19395 5945 1 10 . 1 1 42 42 ALA N N 42 123.757 123.757 123.284 0.473 19395 5946 1 10 . 1 1 42 42 ALA HA H 42 5.158 5.158 4.996 0.162 19395 5947 1 10 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.843 0.295 19395 5948 1 10 . 1 1 42 42 ALA CB C 42 19.909 19.909 20.655 -0.747 19395 5949 1 10 . 1 1 42 42 ALA H H 42 8.544 8.544 8.325 0.219 19395 5950 1 10 . 1 1 43 43 THR N N 43 109.574 109.574 114.712 -5.138 19395 5951 1 10 . 1 1 43 43 THR HA H 43 4.479 4.479 4.394 0.085 19395 5952 1 10 . 1 1 43 43 THR CA C 43 61.144 61.144 61.646 -0.502 19395 5953 1 10 . 1 1 43 43 THR CB C 43 69.180 69.180 68.268 0.912 19395 5954 1 10 . 1 1 43 43 THR H H 43 7.969 7.969 8.244 -0.275 19395 5955 1 10 . 1 1 44 44 THR N N 44 118.101 118.101 116.875 1.226 19395 5956 1 10 . 1 1 44 44 THR HA H 44 5.226 5.226 4.900 0.326 19395 5957 1 10 . 1 1 44 44 THR CA C 44 62.061 62.061 61.662 0.399 19395 5958 1 10 . 1 1 44 44 THR CB C 44 72.595 72.595 72.121 0.475 19395 5959 1 10 . 1 1 44 44 THR H H 44 7.458 7.458 7.479 -0.021 19395 5960 1 10 . 1 1 45 45 VAL N N 45 127.571 127.571 124.609 2.962 19395 5961 1 10 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.484 0.218 19395 5962 1 10 . 1 1 45 45 VAL CA C 45 60.504 60.504 59.980 0.524 19395 5963 1 10 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.632 2.550 19395 5964 1 10 . 1 1 45 45 VAL H H 45 9.398 9.398 9.031 0.367 19395 5965 1 10 . 1 1 46 46 VAL N N 46 129.011 129.011 121.321 7.690 19395 5966 1 10 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.308 0.022 19395 5967 1 10 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.471 -0.954 19395 5968 1 10 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.706 2.526 19395 5969 1 10 . 1 1 46 46 VAL H H 46 9.342 9.342 8.975 0.367 19395 5970 1 10 . 1 1 47 47 ARG N N 47 129.852 129.852 119.001 10.851 19395 5971 1 10 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.014 0.281 19395 5972 1 10 . 1 1 47 47 ARG CA C 47 56.019 56.019 56.960 -0.941 19395 5973 1 10 . 1 1 47 47 ARG CB C 47 30.817 30.817 29.947 0.870 19395 5974 1 10 . 1 1 47 47 ARG H H 47 9.037 9.037 7.918 1.119 19395 5975 1 10 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.799 -0.865 19395 5976 1 10 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.106 -1.418 19395 5977 1 10 . 1 1 49 49 CYS CB C 49 41.121 41.121 28.943 12.178 19395 5978 1 10 . 1 1 50 50 GLU N N 50 114.931 114.931 121.285 -6.354 19395 5979 1 10 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.183 -0.097 19395 5980 1 10 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.715 -0.415 19395 5981 1 10 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.302 2.143 19395 5982 1 10 . 1 1 50 50 GLU H H 50 8.669 8.669 8.494 0.175 19395 5983 1 10 . 1 1 51 51 VAL N N 51 122.453 122.453 118.183 4.270 19395 5984 1 10 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.149 -0.728 19395 5985 1 10 . 1 1 51 51 VAL CA C 51 64.120 64.120 62.174 1.946 19395 5986 1 10 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.004 0.026 19395 5987 1 10 . 1 1 51 51 VAL H H 51 8.356 8.356 7.741 0.615 19395 5988 1 10 . 1 1 52 52 THR N N 52 118.382 118.382 114.625 3.757 19395 5989 1 10 . 1 1 52 52 THR HA H 52 4.525 4.525 4.459 0.066 19395 5990 1 10 . 1 1 52 52 THR CA C 52 61.197 61.197 61.373 -0.176 19395 5991 1 10 . 1 1 52 52 THR CB C 52 69.429 69.429 68.963 0.466 19395 5992 1 10 . 1 1 52 52 THR H H 52 8.936 8.936 8.012 0.924 19395 5993 1 10 . 1 1 53 53 TYR N N 53 116.747 116.747 118.156 -1.409 19395 5994 1 10 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.780 -0.018 19395 5995 1 10 . 1 1 53 53 TYR CA C 53 55.653 55.653 56.666 -1.013 19395 5996 1 10 . 1 1 53 53 TYR CB C 53 39.833 39.833 39.670 0.163 19395 5997 1 10 . 1 1 53 53 TYR H H 53 7.040 7.040 7.445 -0.405 19395 5998 1 10 . 1 1 54 54 ASP N N 54 123.720 123.720 123.833 -0.113 19395 5999 1 10 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.404 0.104 19395 6000 1 10 . 1 1 54 54 ASP CA C 54 53.571 53.571 53.820 -0.249 19395 6001 1 10 . 1 1 54 54 ASP CB C 54 41.364 41.364 42.369 -1.005 19395 6002 1 10 . 1 1 54 54 ASP H H 54 9.280 9.280 8.478 0.802 19395 6003 1 10 . 1 1 55 55 LYS N N 55 121.455 121.455 120.658 0.797 19395 6004 1 10 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.561 -0.042 19395 6005 1 10 . 1 1 55 55 LYS CA C 55 56.944 56.944 55.564 1.380 19395 6006 1 10 . 1 1 55 55 LYS CB C 55 32.940 32.940 32.355 0.585 19395 6007 1 10 . 1 1 55 55 LYS H H 55 8.497 8.497 8.310 0.187 19395 6008 1 10 . 1 1 56 56 THR N N 56 120.743 120.743 118.743 2.000 19395 6009 1 10 . 1 1 56 56 THR HA H 56 4.120 4.120 4.551 -0.431 19395 6010 1 10 . 1 1 56 56 THR CA C 56 68.652 68.652 63.497 5.155 19395 6011 1 10 . 1 1 56 56 THR CB C 56 66.508 66.508 67.811 -1.304 19395 6012 1 10 . 1 1 56 56 THR H H 56 8.701 8.701 8.722 -0.021 19395 6013 1 10 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.416 -0.125 19395 6014 1 10 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.405 0.428 19395 6015 1 10 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.147 0.243 19395 6016 1 10 . 1 1 58 58 LEU N N 58 116.313 116.313 116.204 0.109 19395 6017 1 10 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.037 0.017 19395 6018 1 10 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.011 2.131 19395 6019 1 10 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.467 -0.113 19395 6020 1 10 . 1 1 58 58 LEU H H 58 7.170 7.170 8.096 -0.926 19395 6021 1 10 . 1 1 59 59 GLU N N 59 120.470 120.470 120.626 -0.156 19395 6022 1 10 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.085 0.306 19395 6023 1 10 . 1 1 59 59 GLU CA C 59 59.104 59.104 58.909 0.195 19395 6024 1 10 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.242 0.084 19395 6025 1 10 . 1 1 59 59 GLU H H 59 7.794 7.794 8.756 -0.962 19395 6026 1 10 . 1 1 60 60 LYS N N 60 119.911 119.911 118.999 0.912 19395 6027 1 10 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.241 -0.133 19395 6028 1 10 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.270 1.284 19395 6029 1 10 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.053 0.010 19395 6030 1 10 . 1 1 60 60 LYS H H 60 8.246 8.246 7.830 0.416 19395 6031 1 10 . 1 1 61 61 ASP N N 61 119.142 119.142 118.030 1.112 19395 6032 1 10 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.713 0.257 19395 6033 1 10 . 1 1 61 61 ASP CA C 61 53.779 53.779 53.911 -0.133 19395 6034 1 10 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.688 1.199 19395 6035 1 10 . 1 1 61 61 ASP H H 61 7.235 7.235 7.637 -0.402 19395 6036 1 10 . 1 1 62 62 GLY N N 62 105.820 105.820 107.346 -1.526 19395 6037 1 10 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.761 0.281 19395 6038 1 10 . 1 1 62 62 GLY H H 62 7.742 7.742 7.563 0.179 19395 6039 1 10 . 1 1 63 63 ILE N N 63 123.074 123.074 119.700 3.374 19395 6040 1 10 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.144 0.194 19395 6041 1 10 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.117 -0.587 19395 6042 1 10 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.418 -0.900 19395 6043 1 10 . 1 1 63 63 ILE H H 63 7.870 7.870 7.701 0.169 19395 6044 1 10 . 1 1 64 64 THR N N 64 123.510 123.510 121.834 1.676 19395 6045 1 10 . 1 1 64 64 THR HA H 64 4.316 4.316 4.372 -0.056 19395 6046 1 10 . 1 1 64 64 THR CA C 64 63.015 63.015 61.939 1.076 19395 6047 1 10 . 1 1 64 64 THR CB C 64 70.376 70.376 69.404 0.972 19395 6048 1 10 . 1 1 64 64 THR H H 64 8.200 8.200 8.689 -0.489 19395 6049 1 10 . 1 1 65 65 VAL N N 65 128.299 128.299 127.730 0.569 19395 6050 1 10 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.090 0.958 19395 6051 1 10 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.173 -1.126 19395 6052 1 10 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.228 0.889 19395 6053 1 10 . 1 1 65 65 VAL H H 65 8.919 8.919 8.660 0.259 19395 6054 1 10 . 1 1 66 66 VAL N N 66 129.962 129.962 129.004 0.958 19395 6055 1 10 . 1 1 66 66 VAL HA H 66 3.927 3.927 3.783 0.144 19395 6056 1 10 . 1 1 66 66 VAL CA C 66 60.683 60.683 61.258 -0.576 19395 6057 1 10 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.252 2.368 19395 6058 1 10 . 1 1 66 66 VAL H H 66 9.145 9.145 7.937 1.208 19395 6059 1 10 . 1 1 67 67 ASP N N 67 126.437 126.437 123.974 2.463 19395 6060 1 10 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.597 0.722 19395 6061 1 10 . 1 1 67 67 ASP CA C 67 54.170 54.170 51.840 2.330 19395 6062 1 10 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.083 1.988 19395 6063 1 10 . 1 1 67 67 ASP H H 67 8.099 8.099 7.074 1.025 19395 6064 1 10 . 1 1 68 68 TRP N N 68 125.863 125.863 121.905 3.958 19395 6065 1 10 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.715 0.825 19395 6066 1 10 . 1 1 68 68 TRP CA C 68 51.631 51.631 53.459 -1.828 19395 6067 1 10 . 1 1 68 68 TRP CB C 68 30.303 30.303 31.920 -1.617 19395 6068 1 10 . 1 1 68 68 TRP H H 68 8.305 8.305 7.325 0.980 19395 6069 1 10 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.670 -0.685 19395 6070 1 10 . 1 1 69 69 PRO CA C 69 62.943 62.943 62.987 -0.044 19395 6071 1 10 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.681 0.863 19395 6072 1 10 . 1 1 70 70 PHE N N 70 113.153 113.153 118.838 -5.685 19395 6073 1 10 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.665 0.095 19395 6074 1 10 . 1 1 70 70 PHE CA C 70 56.067 56.067 55.606 0.461 19395 6075 1 10 . 1 1 70 70 PHE CB C 70 39.334 39.334 38.796 0.538 19395 6076 1 10 . 1 1 70 70 PHE H H 70 7.237 7.237 8.404 -1.167 19395 6077 1 10 . 1 1 71 71 ASP N N 71 120.632 120.632 119.772 0.860 19395 6078 1 10 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.588 -0.306 19395 6079 1 10 . 1 1 71 71 ASP CA C 71 55.907 55.907 54.322 1.585 19395 6080 1 10 . 1 1 71 71 ASP CB C 71 41.099 41.099 38.619 2.480 19395 6081 1 10 . 1 1 71 71 ASP H H 71 8.514 8.514 8.177 0.337 19395 6082 1 10 . 1 1 73 73 GLY H H 73 8.510 8.510 7.925 0.585 19395 6083 1 10 . 1 1 74 74 ALA N N 74 123.138 123.138 122.501 0.637 19395 6084 1 10 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.328 0.512 19395 6085 1 10 . 1 1 74 74 ALA CA C 74 50.106 50.106 51.900 -1.794 19395 6086 1 10 . 1 1 74 74 ALA CB C 74 20.264 20.264 18.332 1.932 19395 6087 1 10 . 1 1 74 74 ALA H H 74 7.833 7.833 8.165 -0.332 19395 6088 1 10 . 1 1 75 75 PRO CB C 75 31.456 31.456 30.985 0.471 19395 6089 1 10 . 1 1 79 79 LYS N N 79 119.944 119.944 120.605 -0.661 19395 6090 1 10 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.350 -0.410 19395 6091 1 10 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.822 1.002 19395 6092 1 10 . 1 1 79 79 LYS CB C 79 32.310 32.310 32.870 -0.560 19395 6093 1 10 . 1 1 79 79 LYS H H 79 8.425 8.425 7.965 0.460 19395 6094 1 10 . 1 1 80 80 VAL N N 80 116.231 116.231 120.156 -3.925 19395 6095 1 10 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.975 -0.580 19395 6096 1 10 . 1 1 80 80 VAL CA C 80 64.913 64.913 65.144 -0.231 19395 6097 1 10 . 1 1 80 80 VAL CB C 80 31.293 31.293 31.134 0.160 19395 6098 1 10 . 1 1 80 80 VAL H H 80 6.338 6.338 8.318 -1.980 19395 6099 1 10 . 1 1 81 81 VAL N N 81 118.082 118.082 117.547 0.535 19395 6100 1 10 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.594 -0.409 19395 6101 1 10 . 1 1 81 81 VAL CA C 81 68.624 68.624 65.873 2.751 19395 6102 1 10 . 1 1 81 81 VAL CB C 81 31.645 31.645 30.499 1.146 19395 6103 1 10 . 1 1 81 81 VAL H H 81 7.362 7.362 8.021 -0.659 19395 6104 1 10 . 1 1 82 82 GLU N N 82 117.196 117.196 119.875 -2.679 19395 6105 1 10 . 1 1 82 82 GLU HA H 82 3.936 3.936 4.008 -0.072 19395 6106 1 10 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.959 -0.465 19395 6107 1 10 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.032 0.419 19395 6108 1 10 . 1 1 82 82 GLU H H 82 7.878 7.878 7.892 -0.014 19395 6109 1 10 . 1 1 83 83 ASP N N 83 121.828 121.828 120.306 1.522 19395 6110 1 10 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.152 0.087 19395 6111 1 10 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.310 0.968 19395 6112 1 10 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.199 -1.050 19395 6113 1 10 . 1 1 83 83 ASP H H 83 8.156 8.156 7.806 0.350 19395 6114 1 10 . 1 1 84 84 TRP N N 84 124.374 124.374 122.198 2.176 19395 6115 1 10 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.190 0.734 19395 6116 1 10 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.865 -0.843 19395 6117 1 10 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.761 0.049 19395 6118 1 10 . 1 1 84 84 TRP H H 84 8.939 8.939 7.871 1.068 19395 6119 1 10 . 1 1 85 85 LEU N N 85 117.918 117.918 117.107 0.811 19395 6120 1 10 . 1 1 85 85 LEU HA H 85 3.760 3.760 3.935 -0.175 19395 6121 1 10 . 1 1 85 85 LEU CA C 85 57.998 57.998 58.507 -0.508 19395 6122 1 10 . 1 1 85 85 LEU CB C 85 41.329 41.329 41.491 -0.162 19395 6123 1 10 . 1 1 85 85 LEU H H 85 8.723 8.723 8.091 0.632 19395 6124 1 10 . 1 1 86 86 SER N N 86 114.182 114.182 114.582 -0.400 19395 6125 1 10 . 1 1 86 86 SER HA H 86 4.187 4.187 4.178 0.009 19395 6126 1 10 . 1 1 86 86 SER CA C 86 61.997 61.997 61.990 0.007 19395 6127 1 10 . 1 1 86 86 SER CB C 86 62.984 62.984 63.314 -0.330 19395 6128 1 10 . 1 1 86 86 SER H H 86 8.067 8.067 8.069 -0.002 19395 6129 1 10 . 1 1 87 87 LEU N N 87 125.441 125.441 122.456 2.985 19395 6130 1 10 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.135 0.075 19395 6131 1 10 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.276 0.661 19395 6132 1 10 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.628 0.951 19395 6133 1 10 . 1 1 87 87 LEU H H 87 8.300 8.300 8.060 0.239 19395 6134 1 10 . 1 1 88 88 VAL N N 88 116.784 116.784 120.029 -3.245 19395 6135 1 10 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.782 -0.716 19395 6136 1 10 . 1 1 88 88 VAL CA C 88 66.385 66.385 67.371 -0.986 19395 6137 1 10 . 1 1 88 88 VAL CB C 88 30.764 30.764 32.258 -1.494 19395 6138 1 10 . 1 1 88 88 VAL H H 88 8.468 8.468 7.941 0.527 19395 6139 1 10 . 1 1 89 89 LYS N N 89 118.569 118.569 118.313 0.256 19395 6140 1 10 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.196 -0.171 19395 6141 1 10 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.540 0.936 19395 6142 1 10 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.145 0.710 19395 6143 1 10 . 1 1 89 89 LYS H H 89 7.652 7.652 8.476 -0.824 19395 6144 1 10 . 1 1 90 90 ALA N N 90 119.043 119.043 121.439 -2.396 19395 6145 1 10 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.246 -0.095 19395 6146 1 10 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.733 1.312 19395 6147 1 10 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.784 -1.330 19395 6148 1 10 . 1 1 90 90 ALA H H 90 7.616 7.616 7.867 -0.251 19395 6149 1 10 . 1 1 91 91 LYS N N 91 117.654 117.654 120.234 -2.580 19395 6150 1 10 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.889 0.048 19395 6151 1 10 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.149 -1.395 19395 6152 1 10 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.947 -1.784 19395 6153 1 10 . 1 1 91 91 LYS H H 91 8.658 8.658 8.503 0.155 19395 6154 1 10 . 1 1 92 92 PHE N N 92 113.471 113.471 119.096 -5.625 19395 6155 1 10 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.382 0.237 19395 6156 1 10 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.316 -0.721 19395 6157 1 10 . 1 1 92 92 PHE CB C 92 37.684 37.684 38.784 -1.100 19395 6158 1 10 . 1 1 92 92 PHE H H 92 7.472 7.472 8.061 -0.589 19395 6159 1 10 . 1 1 93 93 CYS N N 93 117.138 117.138 118.121 -0.983 19395 6160 1 10 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.924 0.439 19395 6161 1 10 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.672 2.292 19395 6162 1 10 . 1 1 93 93 CYS CB C 93 27.478 27.478 26.830 0.648 19395 6163 1 10 . 1 1 93 93 CYS H H 93 7.562 7.562 7.385 0.177 19395 6164 1 10 . 1 1 94 94 GLU N N 94 118.594 118.594 119.581 -0.987 19395 6165 1 10 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.349 -0.222 19395 6166 1 10 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.423 1.618 19395 6167 1 10 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.511 -0.438 19395 6168 1 10 . 1 1 94 94 GLU H H 94 8.236 8.236 8.177 0.059 19395 6169 1 10 . 1 1 95 95 ALA N N 95 121.081 121.081 123.468 -2.387 19395 6170 1 10 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.782 0.096 19395 6171 1 10 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.225 0.144 19395 6172 1 10 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.944 -1.820 19395 6173 1 10 . 1 1 95 95 ALA H H 95 7.898 7.898 8.014 -0.116 19395 6174 1 10 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.402 0.421 19395 6175 1 10 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.376 0.591 19395 6176 1 10 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.415 1.141 19395 6177 1 10 . 1 1 97 97 GLY N N 97 113.478 113.478 113.748 -0.270 19395 6178 1 10 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.812 -0.112 19395 6179 1 10 . 1 1 97 97 GLY H H 97 9.198 9.198 8.297 0.901 19395 6180 1 10 . 1 1 98 98 SER N N 98 115.643 115.643 114.506 1.137 19395 6181 1 10 . 1 1 98 98 SER HA H 98 4.560 4.560 4.236 0.324 19395 6182 1 10 . 1 1 98 98 SER CA C 98 58.923 58.923 59.713 -0.790 19395 6183 1 10 . 1 1 98 98 SER CB C 98 64.427 64.427 64.113 0.314 19395 6184 1 10 . 1 1 98 98 SER H H 98 8.066 8.066 7.969 0.097 19395 6185 1 10 . 1 1 99 99 CYS N N 99 115.484 115.484 116.954 -1.470 19395 6186 1 10 . 1 1 99 99 CYS HA H 99 5.397 5.397 4.995 0.402 19395 6187 1 10 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.925 -2.138 19395 6188 1 10 . 1 1 99 99 CYS CB C 99 29.985 29.985 31.244 -1.259 19395 6189 1 10 . 1 1 99 99 CYS H H 99 7.532 7.532 8.125 -0.593 19395 6190 1 10 . 1 1 100 100 VAL N N 100 128.065 128.065 117.562 10.503 19395 6191 1 10 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.255 0.053 19395 6192 1 10 . 1 1 100 100 VAL CA C 100 61.631 61.631 60.205 1.426 19395 6193 1 10 . 1 1 100 100 VAL CB C 100 34.384 34.384 31.826 2.558 19395 6194 1 10 . 1 1 100 100 VAL H H 100 8.392 8.392 8.113 0.279 19395 6195 1 10 . 1 1 101 101 ALA N N 101 130.346 130.346 130.222 0.124 19395 6196 1 10 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.996 0.764 19395 6197 1 10 . 1 1 101 101 ALA CA C 101 50.101 50.101 51.329 -1.228 19395 6198 1 10 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.146 1.972 19395 6199 1 10 . 1 1 101 101 ALA H H 101 8.882 8.882 8.211 0.671 19395 6200 1 10 . 1 1 102 102 VAL N N 102 120.866 120.866 117.565 3.301 19395 6201 1 10 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.735 0.888 19395 6202 1 10 . 1 1 102 102 VAL CA C 102 58.795 58.795 60.110 -1.315 19395 6203 1 10 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.973 -0.833 19395 6204 1 10 . 1 1 102 102 VAL H H 102 9.359 9.359 8.941 0.418 19395 6205 1 10 . 1 1 103 103 HIS N N 103 120.019 120.019 121.930 -1.911 19395 6206 1 10 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.764 0.019 19395 6207 1 10 . 1 1 103 103 HIS CA C 103 55.292 55.292 57.204 -1.912 19395 6208 1 10 . 1 1 103 103 HIS CB C 103 33.032 33.032 31.723 1.309 19395 6209 1 10 . 1 1 103 103 HIS H H 103 8.749 8.749 8.642 0.107 19395 6210 1 10 . 1 1 104 104 CYS N N 104 118.175 118.175 122.510 -4.335 19395 6211 1 10 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.762 -0.065 19395 6212 1 10 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.429 -1.164 19395 6213 1 10 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.598 2.581 19395 6214 1 10 . 1 1 104 104 CYS H H 104 8.428 8.428 7.876 0.552 19395 6215 1 10 . 1 1 105 105 VAL N N 105 125.962 125.962 126.251 -0.289 19395 6216 1 10 . 1 1 105 105 VAL HA H 105 4.219 4.219 4.013 0.206 19395 6217 1 10 . 1 1 105 105 VAL CA C 105 66.483 66.483 64.501 1.982 19395 6218 1 10 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.508 -0.125 19395 6219 1 10 . 1 1 105 105 VAL H H 105 8.422 8.422 8.672 -0.250 19395 6220 1 10 . 1 1 106 106 ALA N N 106 123.180 123.180 119.789 3.391 19395 6221 1 10 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.355 0.340 19395 6222 1 10 . 1 1 106 106 ALA CA C 106 52.862 52.862 52.446 0.416 19395 6223 1 10 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.584 0.538 19395 6224 1 10 . 1 1 106 106 ALA H H 106 9.997 9.997 8.268 1.729 19395 6225 1 10 . 1 1 107 107 GLY N N 107 109.076 109.076 107.087 1.989 19395 6226 1 10 . 1 1 107 107 GLY CA C 107 46.619 46.619 45.429 1.190 19395 6227 1 10 . 1 1 107 107 GLY H H 107 8.019 8.019 7.894 0.125 19395 6228 1 10 . 1 1 108 108 LEU N N 108 117.413 117.413 124.396 -6.983 19395 6229 1 10 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.739 0.725 19395 6230 1 10 . 1 1 108 108 LEU CA C 108 55.782 55.782 57.526 -1.744 19395 6231 1 10 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.235 4.585 19395 6232 1 10 . 1 1 108 108 LEU H H 108 7.598 7.598 8.105 -0.507 19395 6233 1 10 . 1 1 109 109 GLY N N 109 111.143 111.143 103.488 7.655 19395 6234 1 10 . 1 1 109 109 GLY CA C 109 47.641 47.641 45.768 1.873 19395 6235 1 10 . 1 1 109 109 GLY H H 109 10.576 10.576 8.207 2.369 19395 6236 1 10 . 1 1 110 110 ARG N N 110 127.464 127.464 122.568 4.896 19395 6237 1 10 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.818 -0.263 19395 6238 1 10 . 1 1 110 110 ARG CA C 110 60.426 60.426 59.434 0.993 19395 6239 1 10 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.825 2.358 19395 6240 1 10 . 1 1 110 110 ARG H H 110 10.234 10.234 8.375 1.859 19395 6241 1 10 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.295 -0.411 19395 6242 1 10 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.403 1.129 19395 6243 1 10 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.543 -0.634 19395 6244 1 10 . 1 1 113 113 VAL N N 113 116.720 116.720 119.690 -2.970 19395 6245 1 10 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.631 -0.071 19395 6246 1 10 . 1 1 113 113 VAL CA C 113 66.730 66.730 67.152 -0.422 19395 6247 1 10 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.425 -0.902 19395 6248 1 10 . 1 1 113 113 VAL H H 113 8.340 8.340 8.418 -0.078 19395 6249 1 10 . 1 1 114 114 LEU N N 114 119.045 119.045 119.366 -0.321 19395 6250 1 10 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.167 -0.509 19395 6251 1 10 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.464 -0.434 19395 6252 1 10 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.925 -3.126 19395 6253 1 10 . 1 1 114 114 LEU H H 114 6.990 6.990 8.368 -1.378 19395 6254 1 10 . 1 1 115 115 VAL N N 115 120.270 120.270 116.198 4.072 19395 6255 1 10 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.434 -0.391 19395 6256 1 10 . 1 1 115 115 VAL CA C 115 67.509 67.509 66.081 1.428 19395 6257 1 10 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.156 -0.369 19395 6258 1 10 . 1 1 115 115 VAL H H 115 7.188 7.188 7.764 -0.576 19395 6259 1 10 . 1 1 116 116 ALA N N 116 121.280 121.280 123.337 -2.057 19395 6260 1 10 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.041 -0.280 19395 6261 1 10 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.059 0.798 19395 6262 1 10 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.460 -0.592 19395 6263 1 10 . 1 1 116 116 ALA H H 116 8.649 8.649 8.074 0.575 19395 6264 1 10 . 1 1 117 117 LEU N N 117 116.557 116.557 120.193 -3.636 19395 6265 1 10 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.822 -0.054 19395 6266 1 10 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.694 0.666 19395 6267 1 10 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.700 2.367 19395 6268 1 10 . 1 1 117 117 LEU H H 117 8.048 8.048 7.403 0.645 19395 6269 1 10 . 1 1 118 118 ALA N N 118 119.916 119.916 119.930 -0.014 19395 6270 1 10 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.555 0.514 19395 6271 1 10 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.321 1.044 19395 6272 1 10 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.350 1.277 19395 6273 1 10 . 1 1 118 118 ALA H H 118 7.691 7.691 6.689 1.002 19395 6274 1 10 . 1 1 119 119 LEU N N 119 116.962 116.962 119.924 -2.962 19395 6275 1 10 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.050 -0.175 19395 6276 1 10 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.530 0.895 19395 6277 1 10 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.687 -1.901 19395 6278 1 10 . 1 1 119 119 LEU H H 119 7.988 7.988 7.576 0.412 19395 6279 1 10 . 1 1 120 120 ILE N N 120 123.209 123.209 120.156 3.053 19395 6280 1 10 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.907 0.842 19395 6281 1 10 . 1 1 120 120 ILE CA C 120 64.104 64.104 63.936 0.168 19395 6282 1 10 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.446 1.796 19395 6283 1 10 . 1 1 120 120 ILE H H 120 8.643 8.643 8.054 0.589 19395 6284 1 10 . 1 1 121 121 GLU N N 121 121.219 121.219 119.256 1.963 19395 6285 1 10 . 1 1 121 121 GLU HA H 121 4.508 4.508 3.898 0.610 19395 6286 1 10 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.518 -0.379 19395 6287 1 10 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.892 0.341 19395 6288 1 10 . 1 1 121 121 GLU H H 121 8.680 8.680 7.802 0.878 19395 6289 1 10 . 1 1 122 122 SER N N 122 114.306 114.306 113.550 0.756 19395 6290 1 10 . 1 1 122 122 SER HA H 122 4.783 4.783 4.282 0.501 19395 6291 1 10 . 1 1 122 122 SER CA C 122 58.581 58.581 59.865 -1.284 19395 6292 1 10 . 1 1 122 122 SER CB C 122 64.656 64.656 63.402 1.254 19395 6293 1 10 . 1 1 122 122 SER H H 122 7.834 7.834 8.013 -0.179 19395 6294 1 10 . 1 1 123 123 GLY N N 123 108.666 108.666 110.655 -1.989 19395 6295 1 10 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.773 0.307 19395 6296 1 10 . 1 1 123 123 GLY H H 123 7.902 7.902 8.211 -0.309 19395 6297 1 10 . 1 1 124 124 MET N N 124 123.358 123.358 119.976 3.382 19395 6298 1 10 . 1 1 124 124 MET HA H 124 4.258 4.258 4.647 -0.389 19395 6299 1 10 . 1 1 124 124 MET CA C 124 56.698 56.698 53.337 3.361 19395 6300 1 10 . 1 1 124 124 MET CB C 124 34.104 34.104 36.162 -2.058 19395 6301 1 10 . 1 1 124 124 MET H H 124 7.970 7.970 7.742 0.228 19395 6302 1 10 . 1 1 125 125 LYS N N 125 125.848 125.848 124.065 1.783 19395 6303 1 10 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.320 -0.026 19395 6304 1 10 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.457 0.452 19395 6305 1 10 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.166 0.571 19395 6306 1 10 . 1 1 125 125 LYS H H 125 8.903 8.903 8.448 0.455 19395 6307 1 10 . 1 1 126 126 TYR N N 126 124.016 124.016 128.092 -4.076 19395 6308 1 10 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.919 0.141 19395 6309 1 10 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.333 -0.598 19395 6310 1 10 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.740 0.202 19395 6311 1 10 . 1 1 126 126 TYR H H 126 9.242 9.242 9.108 0.134 19395 6312 1 10 . 1 1 127 127 GLU N N 127 119.702 119.702 117.838 1.864 19395 6313 1 10 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.223 0.170 19395 6314 1 10 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.574 0.641 19395 6315 1 10 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.674 0.311 19395 6316 1 10 . 1 1 127 127 GLU H H 127 9.102 9.102 8.567 0.535 19395 6317 1 10 . 1 1 128 128 ASP N N 128 118.661 118.661 119.299 -0.638 19395 6318 1 10 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.325 0.086 19395 6319 1 10 . 1 1 128 128 ASP CA C 128 56.574 56.574 56.918 -0.344 19395 6320 1 10 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.380 -0.274 19395 6321 1 10 . 1 1 128 128 ASP H H 128 6.782 6.782 8.060 -1.278 19395 6322 1 10 . 1 1 129 129 ALA N N 129 125.068 125.068 122.184 2.884 19395 6323 1 10 . 1 1 129 129 ALA HA H 129 4.227 4.227 3.988 0.239 19395 6324 1 10 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.267 0.145 19395 6325 1 10 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.401 -0.089 19395 6326 1 10 . 1 1 129 129 ALA H H 129 8.365 8.365 8.378 -0.013 19395 6327 1 10 . 1 1 130 130 ILE N N 130 115.533 115.533 119.326 -3.793 19395 6328 1 10 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.655 -0.164 19395 6329 1 10 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.772 1.344 19395 6330 1 10 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.288 0.498 19395 6331 1 10 . 1 1 130 130 ILE H H 130 8.044 8.044 8.119 -0.075 19395 6332 1 10 . 1 1 131 131 GLN N N 131 118.503 118.503 118.055 0.448 19395 6333 1 10 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.982 0.034 19395 6334 1 10 . 1 1 131 131 GLN CA C 131 58.791 58.791 58.442 0.349 19395 6335 1 10 . 1 1 131 131 GLN CB C 131 28.439 28.439 27.929 0.510 19395 6336 1 10 . 1 1 131 131 GLN H H 131 7.426 7.426 8.004 -0.578 19395 6337 1 10 . 1 1 132 132 PHE N N 132 120.679 120.679 121.368 -0.689 19395 6338 1 10 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.274 0.049 19395 6339 1 10 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.466 -0.291 19395 6340 1 10 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.162 0.688 19395 6341 1 10 . 1 1 132 132 PHE H H 132 8.416 8.416 7.796 0.620 19395 6342 1 10 . 1 1 133 133 ILE N N 133 116.466 116.466 116.452 0.014 19395 6343 1 10 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.558 -0.069 19395 6344 1 10 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.234 -0.237 19395 6345 1 10 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.732 -0.171 19395 6346 1 10 . 1 1 133 133 ILE H H 133 7.964 7.964 8.208 -0.244 19395 6347 1 10 . 1 1 134 134 ARG N N 134 119.204 119.204 120.938 -1.734 19395 6348 1 10 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.429 -0.107 19395 6349 1 10 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.319 0.841 19395 6350 1 10 . 1 1 134 134 ARG CB C 134 30.212 30.212 31.052 -0.840 19395 6351 1 10 . 1 1 134 134 ARG H H 134 8.449 8.449 8.508 -0.059 19395 6352 1 10 . 1 1 135 135 GLN N N 135 117.511 117.511 119.226 -1.715 19395 6353 1 10 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.040 -0.003 19395 6354 1 10 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.523 -0.186 19395 6355 1 10 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.590 -0.151 19395 6356 1 10 . 1 1 135 135 GLN H H 135 7.829 7.829 8.064 -0.235 19395 6357 1 10 . 1 1 136 136 LYS N N 136 116.364 116.364 115.621 0.743 19395 6358 1 10 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.221 0.073 19395 6359 1 10 . 1 1 136 136 LYS CA C 136 56.209 56.209 56.111 0.098 19395 6360 1 10 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.711 0.268 19395 6361 1 10 . 1 1 136 136 LYS H H 136 7.280 7.280 7.538 -0.258 19395 6362 1 10 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.760 -0.915 19395 6363 1 10 . 1 1 140 140 ALA N N 140 121.841 121.841 121.703 0.138 19395 6364 1 10 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.198 0.158 19395 6365 1 10 . 1 1 140 140 ALA CA C 140 53.327 53.327 54.384 -1.057 19395 6366 1 10 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.202 0.372 19395 6367 1 10 . 1 1 140 140 ALA H H 140 7.553 7.553 7.453 0.100 19395 6368 1 10 . 1 1 141 141 ILE N N 141 113.228 113.228 116.615 -3.387 19395 6369 1 10 . 1 1 141 141 ILE HA H 141 3.338 3.338 3.953 -0.615 19395 6370 1 10 . 1 1 141 141 ILE CA C 141 65.889 65.889 61.863 4.026 19395 6371 1 10 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.792 -4.604 19395 6372 1 10 . 1 1 141 141 ILE H H 141 8.744 8.744 8.231 0.513 19395 6373 1 10 . 1 1 142 142 ASN N N 142 126.808 126.808 114.853 11.955 19395 6374 1 10 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.465 0.258 19395 6375 1 10 . 1 1 142 142 ASN CA C 142 52.083 52.083 53.818 -1.735 19395 6376 1 10 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.767 -0.837 19395 6377 1 10 . 1 1 142 142 ASN H H 142 8.538 8.538 7.824 0.714 19395 6378 1 10 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.909 0.258 19395 6379 1 10 . 1 1 145 145 GLN N N 145 120.931 120.931 117.269 3.662 19395 6380 1 10 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.148 -0.413 19395 6381 1 10 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.005 0.830 19395 6382 1 10 . 1 1 145 145 GLN CB C 145 27.803 27.803 28.469 -0.666 19395 6383 1 10 . 1 1 145 145 GLN H H 145 8.737 8.737 8.137 0.600 19395 6384 1 10 . 1 1 146 146 LEU N N 146 122.433 122.433 121.446 0.987 19395 6385 1 10 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.195 -0.220 19395 6386 1 10 . 1 1 146 146 LEU CA C 146 59.013 59.013 59.245 -0.232 19395 6387 1 10 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.925 -0.129 19395 6388 1 10 . 1 1 146 146 LEU H H 146 8.917 8.917 8.349 0.568 19395 6389 1 10 . 1 1 147 147 THR N N 147 115.378 115.378 112.889 2.489 19395 6390 1 10 . 1 1 147 147 THR HA H 147 3.936 3.936 3.922 0.014 19395 6391 1 10 . 1 1 147 147 THR CA C 147 66.512 66.512 65.374 1.139 19395 6392 1 10 . 1 1 147 147 THR CB C 147 68.865 68.865 68.225 0.640 19395 6393 1 10 . 1 1 147 147 THR H H 147 7.948 7.948 8.544 -0.596 19395 6394 1 10 . 1 1 148 148 TYR N N 148 120.402 120.402 123.500 -3.098 19395 6395 1 10 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.111 -0.029 19395 6396 1 10 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.239 -0.044 19395 6397 1 10 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.079 -0.102 19395 6398 1 10 . 1 1 148 148 TYR H H 148 7.366 7.366 7.681 -0.315 19395 6399 1 10 . 1 1 149 149 LEU N N 149 119.957 119.957 118.568 1.389 19395 6400 1 10 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.411 0.317 19395 6401 1 10 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.185 1.356 19395 6402 1 10 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.362 2.201 19395 6403 1 10 . 1 1 149 149 LEU H H 149 7.968 7.968 7.453 0.515 19395 6404 1 10 . 1 1 150 150 GLU N N 150 120.132 120.132 117.849 2.283 19395 6405 1 10 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.547 -1.164 19395 6406 1 10 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.606 -0.144 19395 6407 1 10 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.416 0.165 19395 6408 1 10 . 1 1 150 150 GLU H H 150 8.305 8.305 7.129 1.176 19395 6409 1 10 . 1 1 151 151 LYS N N 151 114.600 114.600 115.152 -0.552 19395 6410 1 10 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.225 -0.154 19395 6411 1 10 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.333 -0.701 19395 6412 1 10 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.556 -0.609 19395 6413 1 10 . 1 1 151 151 LYS H H 151 7.106 7.106 7.369 -0.263 19395 6414 1 10 . 1 1 152 152 TYR N N 152 123.664 123.664 121.910 1.754 19395 6415 1 10 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.156 -0.381 19395 6416 1 10 . 1 1 152 152 TYR CA C 152 59.659 59.659 59.128 0.531 19395 6417 1 10 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.980 -0.735 19395 6418 1 10 . 1 1 152 152 TYR H H 152 7.187 7.187 7.381 -0.194 19395 6419 1 10 . 1 1 153 153 ARG N N 153 130.321 130.321 124.998 5.323 19395 6420 1 10 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.522 0.243 19395 6421 1 10 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.934 -0.421 19395 6422 1 10 . 1 1 153 153 ARG CB C 153 30.180 30.180 32.285 -2.104 19395 6423 1 10 . 1 1 153 153 ARG H H 153 7.760 7.760 7.710 0.050 19395 6424 1 10 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.652 -0.012 19395 6425 1 10 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.622 -0.567 19395 6426 1 10 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.292 1.311 19395 6427 1 10 . 1 1 155 155 LYS N N 155 122.066 122.066 124.399 -2.333 19395 6428 1 10 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.086 0.352 19395 6429 1 10 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.507 -0.584 19395 6430 1 10 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.379 1.064 19395 6431 1 10 . 1 1 155 155 LYS H H 155 9.586 9.586 8.697 0.889 19395 6432 1 10 . 1 1 156 156 GLN N N 156 117.702 117.702 116.600 1.102 19395 6433 1 10 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.386 -0.020 19395 6434 1 10 . 1 1 156 156 GLN CA C 156 56.549 56.549 57.190 -0.641 19395 6435 1 10 . 1 1 156 156 GLN CB C 156 26.728 26.728 27.291 -0.563 19395 6436 1 10 . 1 1 156 156 GLN H H 156 8.334 8.334 8.476 -0.142 19395 6437 1 10 . 1 1 157 157 ARG N N 157 117.466 117.466 118.953 -1.487 19395 6438 1 10 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.397 -0.242 19395 6439 1 10 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.973 0.049 19395 6440 1 10 . 1 1 157 157 ARG CB C 157 30.769 30.769 30.906 -0.137 19395 6441 1 10 . 1 1 157 157 ARG H H 157 8.983 8.983 8.591 0.392 19395 6442 1 10 . 1 1 158 158 LEU N N 158 117.973 117.973 119.151 -1.178 19395 6443 1 10 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.376 0.253 19395 6444 1 10 . 1 1 158 158 LEU CA C 158 53.469 53.469 57.366 -3.897 19395 6445 1 10 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.455 -0.950 19395 6446 1 10 . 1 1 158 158 LEU H H 158 8.123 8.123 7.770 0.353 19395 6447 1 10 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.446 -0.333 19395 6448 1 10 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.548 1.939 19395 6449 1 10 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.208 -1.034 19395 6450 1 10 . 1 1 161 161 LYS H H 161 7.856 7.856 7.301 0.555 19395 6451 1 11 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.391 -0.044 19395 6452 1 11 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.887 -0.349 19395 6453 1 11 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.513 -0.721 19395 6454 1 11 . 1 1 8 8 ALA N N 8 126.708 126.708 127.016 -0.308 19395 6455 1 11 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.877 -0.266 19395 6456 1 11 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.851 0.457 19395 6457 1 11 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.071 -0.866 19395 6458 1 11 . 1 1 8 8 ALA H H 8 8.399 8.399 8.327 0.072 19395 6459 1 11 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.350 0.301 19395 6460 1 11 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.384 0.199 19395 6461 1 11 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.786 -0.275 19395 6462 1 11 . 1 1 10 10 VAL N N 10 118.581 118.581 119.575 -0.994 19395 6463 1 11 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.323 -0.022 19395 6464 1 11 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.528 -0.695 19395 6465 1 11 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.486 0.191 19395 6466 1 11 . 1 1 10 10 VAL H H 10 8.025 8.025 8.078 -0.053 19395 6467 1 11 . 1 1 11 11 GLU N N 11 129.673 129.673 129.390 0.283 19395 6468 1 11 . 1 1 11 11 GLU HA H 11 5.085 5.085 4.954 0.131 19395 6469 1 11 . 1 1 11 11 GLU CA C 11 54.747 54.747 54.904 -0.157 19395 6470 1 11 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.422 0.707 19395 6471 1 11 . 1 1 11 11 GLU H H 11 8.723 8.723 8.827 -0.104 19395 6472 1 11 . 1 1 12 12 VAL N N 12 127.093 127.093 128.565 -1.472 19395 6473 1 11 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.472 -0.189 19395 6474 1 11 . 1 1 12 12 VAL CA C 12 61.596 61.596 59.839 1.757 19395 6475 1 11 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.547 0.999 19395 6476 1 11 . 1 1 12 12 VAL H H 12 9.247 9.247 8.620 0.627 19395 6477 1 11 . 1 1 13 13 SER N N 13 123.385 123.385 125.189 -1.804 19395 6478 1 11 . 1 1 13 13 SER HA H 13 5.302 5.302 4.869 0.433 19395 6479 1 11 . 1 1 13 13 SER CA C 13 56.409 56.409 57.868 -1.459 19395 6480 1 11 . 1 1 13 13 SER CB C 13 64.981 64.981 63.554 1.427 19395 6481 1 11 . 1 1 13 13 SER H H 13 9.001 9.001 8.344 0.657 19395 6482 1 11 . 1 1 14 14 TYR N N 14 124.413 124.413 128.651 -4.238 19395 6483 1 11 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.590 -0.053 19395 6484 1 11 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.815 0.418 19395 6485 1 11 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.823 1.756 19395 6486 1 11 . 1 1 14 14 TYR H H 14 8.347 8.347 8.909 -0.562 19395 6487 1 11 . 1 1 15 15 LYS N N 15 125.130 125.130 120.267 4.863 19395 6488 1 11 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.987 -0.588 19395 6489 1 11 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.485 -0.111 19395 6490 1 11 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.259 -2.365 19395 6491 1 11 . 1 1 15 15 LYS H H 15 8.820 8.820 8.184 0.636 19395 6492 1 11 . 1 1 16 16 HIS N N 16 121.278 121.278 117.810 3.468 19395 6493 1 11 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.672 -0.222 19395 6494 1 11 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.242 1.496 19395 6495 1 11 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.867 0.362 19395 6496 1 11 . 1 1 16 16 HIS H H 16 8.784 8.784 8.167 0.617 19395 6497 1 11 . 1 1 17 17 MET N N 17 120.113 120.113 114.305 5.808 19395 6498 1 11 . 1 1 17 17 MET HA H 17 2.326 2.326 4.798 -2.472 19395 6499 1 11 . 1 1 17 17 MET CA C 17 54.714 54.714 55.096 -0.382 19395 6500 1 11 . 1 1 17 17 MET CB C 17 34.848 34.848 35.738 -0.890 19395 6501 1 11 . 1 1 17 17 MET H H 17 8.106 8.106 7.350 0.756 19395 6502 1 11 . 1 1 18 18 ARG N N 18 121.252 121.252 122.007 -0.755 19395 6503 1 11 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.300 -0.461 19395 6504 1 11 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.162 0.632 19395 6505 1 11 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.161 0.655 19395 6506 1 11 . 1 1 18 18 ARG H H 18 5.904 5.904 8.411 -2.507 19395 6507 1 11 . 1 1 19 19 PHE N N 19 121.195 121.195 123.465 -2.270 19395 6508 1 11 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.308 0.692 19395 6509 1 11 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.386 0.232 19395 6510 1 11 . 1 1 19 19 PHE CB C 19 43.616 43.616 42.878 0.738 19395 6511 1 11 . 1 1 19 19 PHE H H 19 9.178 9.178 9.357 -0.179 19395 6512 1 11 . 1 1 20 20 LEU N N 20 123.804 123.804 121.766 2.038 19395 6513 1 11 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.177 -0.067 19395 6514 1 11 . 1 1 20 20 LEU CA C 20 52.568 52.568 54.051 -1.483 19395 6515 1 11 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.943 1.940 19395 6516 1 11 . 1 1 20 20 LEU H H 20 8.601 8.601 9.368 -0.767 19395 6517 1 11 . 1 1 21 21 ILE N N 21 126.661 126.661 123.655 3.006 19395 6518 1 11 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.342 -0.211 19395 6519 1 11 . 1 1 21 21 ILE CA C 21 60.828 60.828 59.362 1.466 19395 6520 1 11 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.627 0.582 19395 6521 1 11 . 1 1 21 21 ILE H H 21 9.323 9.323 9.136 0.187 19395 6522 1 11 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.456 -0.127 19395 6523 1 11 . 1 1 25 25 PRO CA C 25 61.818 61.818 64.421 -2.603 19395 6524 1 11 . 1 1 25 25 PRO CB C 25 32.524 32.524 31.817 0.707 19395 6525 1 11 . 1 1 26 26 THR N N 26 131.812 131.812 114.996 16.816 19395 6526 1 11 . 1 1 26 26 THR H H 26 6.781 6.781 8.146 -1.365 19395 6527 1 11 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.192 0.152 19395 6528 1 11 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.942 0.079 19395 6529 1 11 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.119 0.064 19395 6530 1 11 . 1 1 29 29 THR N N 29 104.375 104.375 110.955 -6.580 19395 6531 1 11 . 1 1 29 29 THR HA H 29 4.847 4.847 4.368 0.479 19395 6532 1 11 . 1 1 29 29 THR CA C 29 60.370 60.370 61.739 -1.369 19395 6533 1 11 . 1 1 29 29 THR CB C 29 69.135 69.135 70.522 -1.387 19395 6534 1 11 . 1 1 29 29 THR H H 29 7.642 7.642 7.476 0.166 19395 6535 1 11 . 1 1 30 30 LEU N N 30 124.383 124.383 120.788 3.595 19395 6536 1 11 . 1 1 30 30 LEU HA H 30 4.013 4.013 3.923 0.090 19395 6537 1 11 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.337 0.374 19395 6538 1 11 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.498 1.856 19395 6539 1 11 . 1 1 30 30 LEU H H 30 7.356 7.356 7.720 -0.364 19395 6540 1 11 . 1 1 31 31 SER N N 31 111.792 111.792 114.221 -2.429 19395 6541 1 11 . 1 1 31 31 SER H H 31 6.915 6.915 8.369 -1.454 19395 6542 1 11 . 1 1 32 32 THR N N 32 116.374 116.374 117.225 -0.851 19395 6543 1 11 . 1 1 32 32 THR HA H 32 4.109 4.109 4.107 0.002 19395 6544 1 11 . 1 1 32 32 THR CA C 32 65.142 65.142 66.313 -1.171 19395 6545 1 11 . 1 1 32 32 THR CB C 32 68.628 68.628 68.850 -0.222 19395 6546 1 11 . 1 1 32 32 THR H H 32 7.589 7.589 7.677 -0.088 19395 6547 1 11 . 1 1 33 33 PHE N N 33 124.790 124.790 123.710 1.080 19395 6548 1 11 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.490 -0.015 19395 6549 1 11 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.559 0.491 19395 6550 1 11 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.406 1.433 19395 6551 1 11 . 1 1 33 33 PHE H H 33 7.644 7.644 7.816 -0.172 19395 6552 1 11 . 1 1 34 34 ILE N N 34 117.776 117.776 117.637 0.139 19395 6553 1 11 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.078 0.269 19395 6554 1 11 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.382 1.640 19395 6555 1 11 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.290 -5.644 19395 6556 1 11 . 1 1 34 34 ILE H H 34 8.535 8.535 8.720 -0.185 19395 6557 1 11 . 1 1 35 35 GLU N N 35 119.202 119.202 119.538 -0.336 19395 6558 1 11 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.961 -0.034 19395 6559 1 11 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.685 0.061 19395 6560 1 11 . 1 1 35 35 GLU CB C 35 29.375 29.375 29.017 0.358 19395 6561 1 11 . 1 1 35 35 GLU H H 35 7.512 7.512 7.535 -0.023 19395 6562 1 11 . 1 1 36 36 ASP N N 36 121.117 121.117 120.420 0.697 19395 6563 1 11 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.480 0.074 19395 6564 1 11 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.134 0.804 19395 6565 1 11 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.354 -0.235 19395 6566 1 11 . 1 1 36 36 ASP H H 36 8.049 8.049 8.319 -0.270 19395 6567 1 11 . 1 1 37 37 LEU N N 37 119.257 119.257 116.516 2.741 19395 6568 1 11 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.180 -0.427 19395 6569 1 11 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.959 0.544 19395 6570 1 11 . 1 1 37 37 LEU CB C 37 39.960 39.960 40.779 -0.819 19395 6571 1 11 . 1 1 37 37 LEU H H 37 8.016 8.016 7.690 0.326 19395 6572 1 11 . 1 1 38 38 LYS N N 38 117.743 117.743 120.001 -2.258 19395 6573 1 11 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.073 0.025 19395 6574 1 11 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.489 -0.185 19395 6575 1 11 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.679 -0.411 19395 6576 1 11 . 1 1 38 38 LYS H H 38 8.336 8.336 7.922 0.414 19395 6577 1 11 . 1 1 39 39 LYS N N 39 122.164 122.164 117.740 4.424 19395 6578 1 11 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.098 0.058 19395 6579 1 11 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.837 0.596 19395 6580 1 11 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.074 0.337 19395 6581 1 11 . 1 1 39 39 LYS H H 39 8.113 8.113 8.172 -0.059 19395 6582 1 11 . 1 1 40 40 TYR N N 40 114.347 114.347 119.099 -4.752 19395 6583 1 11 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.328 0.067 19395 6584 1 11 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.654 -0.004 19395 6585 1 11 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.450 1.246 19395 6586 1 11 . 1 1 40 40 TYR H H 40 7.626 7.626 7.905 -0.279 19395 6587 1 11 . 1 1 41 41 GLY N N 41 109.921 109.921 104.905 5.016 19395 6588 1 11 . 1 1 41 41 GLY CA C 41 46.766 46.766 45.053 1.712 19395 6589 1 11 . 1 1 41 41 GLY H H 41 7.878 7.878 7.316 0.562 19395 6590 1 11 . 1 1 42 42 ALA N N 42 123.757 123.757 122.968 0.789 19395 6591 1 11 . 1 1 42 42 ALA HA H 42 5.158 5.158 5.091 0.067 19395 6592 1 11 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.780 0.358 19395 6593 1 11 . 1 1 42 42 ALA CB C 42 19.909 19.909 21.260 -1.351 19395 6594 1 11 . 1 1 42 42 ALA H H 42 8.544 8.544 8.398 0.146 19395 6595 1 11 . 1 1 43 43 THR N N 43 109.574 109.574 114.589 -5.015 19395 6596 1 11 . 1 1 43 43 THR HA H 43 4.479 4.479 4.470 0.009 19395 6597 1 11 . 1 1 43 43 THR CA C 43 61.144 61.144 61.556 -0.412 19395 6598 1 11 . 1 1 43 43 THR CB C 43 69.180 69.180 68.179 1.001 19395 6599 1 11 . 1 1 43 43 THR H H 43 7.969 7.969 8.397 -0.428 19395 6600 1 11 . 1 1 44 44 THR N N 44 118.101 118.101 116.769 1.332 19395 6601 1 11 . 1 1 44 44 THR HA H 44 5.226 5.226 5.044 0.182 19395 6602 1 11 . 1 1 44 44 THR CA C 44 62.061 62.061 61.194 0.867 19395 6603 1 11 . 1 1 44 44 THR CB C 44 72.595 72.595 72.035 0.560 19395 6604 1 11 . 1 1 44 44 THR H H 44 7.458 7.458 7.494 -0.036 19395 6605 1 11 . 1 1 45 45 VAL N N 45 127.571 127.571 124.696 2.875 19395 6606 1 11 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.491 0.211 19395 6607 1 11 . 1 1 45 45 VAL CA C 45 60.504 60.504 59.770 0.734 19395 6608 1 11 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.656 2.526 19395 6609 1 11 . 1 1 45 45 VAL H H 45 9.398 9.398 9.136 0.262 19395 6610 1 11 . 1 1 46 46 VAL N N 46 129.011 129.011 122.698 6.313 19395 6611 1 11 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.356 -0.026 19395 6612 1 11 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.196 -0.679 19395 6613 1 11 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.553 2.679 19395 6614 1 11 . 1 1 46 46 VAL H H 46 9.342 9.342 9.063 0.279 19395 6615 1 11 . 1 1 47 47 ARG N N 47 129.852 129.852 120.048 9.804 19395 6616 1 11 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.123 0.172 19395 6617 1 11 . 1 1 47 47 ARG CA C 47 56.019 56.019 57.492 -1.473 19395 6618 1 11 . 1 1 47 47 ARG CB C 47 30.817 30.817 29.832 0.985 19395 6619 1 11 . 1 1 47 47 ARG H H 47 9.037 9.037 8.131 0.906 19395 6620 1 11 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.863 -0.929 19395 6621 1 11 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.090 -1.402 19395 6622 1 11 . 1 1 49 49 CYS CB C 49 41.121 41.121 27.883 13.239 19395 6623 1 11 . 1 1 50 50 GLU N N 50 114.931 114.931 120.887 -5.956 19395 6624 1 11 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.173 -0.087 19395 6625 1 11 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.506 -0.206 19395 6626 1 11 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.383 2.062 19395 6627 1 11 . 1 1 50 50 GLU H H 50 8.669 8.669 8.479 0.190 19395 6628 1 11 . 1 1 51 51 VAL N N 51 122.453 122.453 117.660 4.793 19395 6629 1 11 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.106 -0.685 19395 6630 1 11 . 1 1 51 51 VAL CA C 51 64.120 64.120 63.425 0.695 19395 6631 1 11 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.458 -0.428 19395 6632 1 11 . 1 1 51 51 VAL H H 51 8.356 8.356 7.972 0.384 19395 6633 1 11 . 1 1 52 52 THR N N 52 118.382 118.382 113.866 4.516 19395 6634 1 11 . 1 1 52 52 THR HA H 52 4.525 4.525 4.370 0.155 19395 6635 1 11 . 1 1 52 52 THR CA C 52 61.197 61.197 61.517 -0.320 19395 6636 1 11 . 1 1 52 52 THR CB C 52 69.429 69.429 68.727 0.702 19395 6637 1 11 . 1 1 52 52 THR H H 52 8.936 8.936 8.095 0.841 19395 6638 1 11 . 1 1 53 53 TYR N N 53 116.747 116.747 120.073 -3.326 19395 6639 1 11 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.798 -0.036 19395 6640 1 11 . 1 1 53 53 TYR CA C 53 55.653 55.653 57.346 -1.693 19395 6641 1 11 . 1 1 53 53 TYR CB C 53 39.833 39.833 40.339 -0.506 19395 6642 1 11 . 1 1 53 53 TYR H H 53 7.040 7.040 7.783 -0.743 19395 6643 1 11 . 1 1 54 54 ASP N N 54 123.720 123.720 124.491 -0.771 19395 6644 1 11 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.416 0.092 19395 6645 1 11 . 1 1 54 54 ASP CA C 54 53.571 53.571 53.597 -0.026 19395 6646 1 11 . 1 1 54 54 ASP CB C 54 41.364 41.364 42.022 -0.658 19395 6647 1 11 . 1 1 54 54 ASP H H 54 9.280 9.280 8.130 1.150 19395 6648 1 11 . 1 1 55 55 LYS N N 55 121.455 121.455 122.681 -1.226 19395 6649 1 11 . 1 1 55 55 LYS HA H 55 4.519 4.519 3.838 0.681 19395 6650 1 11 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.605 0.339 19395 6651 1 11 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.116 1.824 19395 6652 1 11 . 1 1 55 55 LYS H H 55 8.497 8.497 8.114 0.383 19395 6653 1 11 . 1 1 56 56 THR N N 56 120.743 120.743 117.499 3.244 19395 6654 1 11 . 1 1 56 56 THR HA H 56 4.120 4.120 4.813 -0.693 19395 6655 1 11 . 1 1 56 56 THR CA C 56 68.652 68.652 62.679 5.973 19395 6656 1 11 . 1 1 56 56 THR CB C 56 66.508 66.508 68.892 -2.384 19395 6657 1 11 . 1 1 56 56 THR H H 56 8.701 8.701 8.389 0.312 19395 6658 1 11 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.408 -0.117 19395 6659 1 11 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.640 0.193 19395 6660 1 11 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.439 -0.049 19395 6661 1 11 . 1 1 58 58 LEU N N 58 116.313 116.313 118.478 -2.165 19395 6662 1 11 . 1 1 58 58 LEU HA H 58 4.054 4.054 3.984 0.070 19395 6663 1 11 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.616 1.526 19395 6664 1 11 . 1 1 58 58 LEU CB C 58 40.354 40.354 39.832 0.522 19395 6665 1 11 . 1 1 58 58 LEU H H 58 7.170 7.170 8.422 -1.252 19395 6666 1 11 . 1 1 59 59 GLU N N 59 120.470 120.470 120.328 0.142 19395 6667 1 11 . 1 1 59 59 GLU HA H 59 4.391 4.391 3.973 0.418 19395 6668 1 11 . 1 1 59 59 GLU CA C 59 59.104 59.104 59.275 -0.171 19395 6669 1 11 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.301 0.025 19395 6670 1 11 . 1 1 59 59 GLU H H 59 7.794 7.794 8.537 -0.743 19395 6671 1 11 . 1 1 60 60 LYS N N 60 119.911 119.911 117.761 2.150 19395 6672 1 11 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.201 -0.093 19395 6673 1 11 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.910 0.645 19395 6674 1 11 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.454 -0.391 19395 6675 1 11 . 1 1 60 60 LYS H H 60 8.246 8.246 7.804 0.442 19395 6676 1 11 . 1 1 61 61 ASP N N 61 119.142 119.142 117.538 1.604 19395 6677 1 11 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.673 0.297 19395 6678 1 11 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.258 -0.479 19395 6679 1 11 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.721 1.166 19395 6680 1 11 . 1 1 61 61 ASP H H 61 7.235 7.235 7.541 -0.306 19395 6681 1 11 . 1 1 62 62 GLY N N 62 105.820 105.820 107.657 -1.837 19395 6682 1 11 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.903 0.139 19395 6683 1 11 . 1 1 62 62 GLY H H 62 7.742 7.742 7.518 0.224 19395 6684 1 11 . 1 1 63 63 ILE N N 63 123.074 123.074 119.700 3.374 19395 6685 1 11 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.144 0.195 19395 6686 1 11 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.563 -1.034 19395 6687 1 11 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.101 -0.583 19395 6688 1 11 . 1 1 63 63 ILE H H 63 7.870 7.870 7.779 0.091 19395 6689 1 11 . 1 1 64 64 THR N N 64 123.510 123.510 123.830 -0.320 19395 6690 1 11 . 1 1 64 64 THR HA H 64 4.316 4.316 4.309 0.007 19395 6691 1 11 . 1 1 64 64 THR CA C 64 63.015 63.015 62.655 0.360 19395 6692 1 11 . 1 1 64 64 THR CB C 64 70.376 70.376 69.313 1.063 19395 6693 1 11 . 1 1 64 64 THR H H 64 8.200 8.200 8.777 -0.577 19395 6694 1 11 . 1 1 65 65 VAL N N 65 128.299 128.299 128.068 0.231 19395 6695 1 11 . 1 1 65 65 VAL HA H 65 5.048 5.048 3.974 1.074 19395 6696 1 11 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.469 -1.423 19395 6697 1 11 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.168 0.949 19395 6698 1 11 . 1 1 65 65 VAL H H 65 8.919 8.919 8.724 0.195 19395 6699 1 11 . 1 1 66 66 VAL N N 66 129.962 129.962 130.133 -0.171 19395 6700 1 11 . 1 1 66 66 VAL HA H 66 3.927 3.927 3.942 -0.015 19395 6701 1 11 . 1 1 66 66 VAL CA C 66 60.683 60.683 61.025 -0.342 19395 6702 1 11 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.659 1.961 19395 6703 1 11 . 1 1 66 66 VAL H H 66 9.145 9.145 8.095 1.050 19395 6704 1 11 . 1 1 67 67 ASP N N 67 126.437 126.437 123.925 2.512 19395 6705 1 11 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.851 0.468 19395 6706 1 11 . 1 1 67 67 ASP CA C 67 54.170 54.170 51.826 2.344 19395 6707 1 11 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.088 1.983 19395 6708 1 11 . 1 1 67 67 ASP H H 67 8.099 8.099 7.325 0.774 19395 6709 1 11 . 1 1 68 68 TRP N N 68 125.863 125.863 121.734 4.129 19395 6710 1 11 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.949 0.591 19395 6711 1 11 . 1 1 68 68 TRP CA C 68 51.631 51.631 54.287 -2.656 19395 6712 1 11 . 1 1 68 68 TRP CB C 68 30.303 30.303 33.159 -2.856 19395 6713 1 11 . 1 1 68 68 TRP H H 68 8.305 8.305 7.662 0.643 19395 6714 1 11 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.778 -0.793 19395 6715 1 11 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.152 -0.209 19395 6716 1 11 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.377 1.167 19395 6717 1 11 . 1 1 70 70 PHE N N 70 113.153 113.153 119.891 -6.738 19395 6718 1 11 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.488 0.272 19395 6719 1 11 . 1 1 70 70 PHE CA C 70 56.067 56.067 58.060 -1.994 19395 6720 1 11 . 1 1 70 70 PHE CB C 70 39.334 39.334 39.300 0.034 19395 6721 1 11 . 1 1 70 70 PHE H H 70 7.237 7.237 8.631 -1.394 19395 6722 1 11 . 1 1 71 71 ASP N N 71 120.632 120.632 120.207 0.425 19395 6723 1 11 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.620 -0.338 19395 6724 1 11 . 1 1 71 71 ASP CA C 71 55.907 55.907 54.414 1.493 19395 6725 1 11 . 1 1 71 71 ASP CB C 71 41.099 41.099 38.541 2.558 19395 6726 1 11 . 1 1 71 71 ASP H H 71 8.514 8.514 8.123 0.391 19395 6727 1 11 . 1 1 73 73 GLY H H 73 8.510 8.510 7.805 0.705 19395 6728 1 11 . 1 1 74 74 ALA N N 74 123.138 123.138 123.186 -0.048 19395 6729 1 11 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.103 0.737 19395 6730 1 11 . 1 1 74 74 ALA CA C 74 50.106 50.106 51.813 -1.707 19395 6731 1 11 . 1 1 74 74 ALA CB C 74 20.264 20.264 17.951 2.313 19395 6732 1 11 . 1 1 74 74 ALA H H 74 7.833 7.833 7.880 -0.047 19395 6733 1 11 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.214 0.242 19395 6734 1 11 . 1 1 79 79 LYS N N 79 119.944 119.944 119.907 0.037 19395 6735 1 11 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.408 -0.468 19395 6736 1 11 . 1 1 79 79 LYS CA C 79 58.824 58.824 56.658 2.166 19395 6737 1 11 . 1 1 79 79 LYS CB C 79 32.310 32.310 32.551 -0.241 19395 6738 1 11 . 1 1 79 79 LYS H H 79 8.425 8.425 8.180 0.245 19395 6739 1 11 . 1 1 80 80 VAL N N 80 116.231 116.231 118.920 -2.689 19395 6740 1 11 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.739 -0.344 19395 6741 1 11 . 1 1 80 80 VAL CA C 80 64.913 64.913 64.582 0.331 19395 6742 1 11 . 1 1 80 80 VAL CB C 80 31.293 31.293 31.134 0.160 19395 6743 1 11 . 1 1 80 80 VAL H H 80 6.338 6.338 8.030 -1.692 19395 6744 1 11 . 1 1 81 81 VAL N N 81 118.082 118.082 116.856 1.226 19395 6745 1 11 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.633 -0.448 19395 6746 1 11 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.001 2.623 19395 6747 1 11 . 1 1 81 81 VAL CB C 81 31.645 31.645 31.327 0.318 19395 6748 1 11 . 1 1 81 81 VAL H H 81 7.362 7.362 7.205 0.157 19395 6749 1 11 . 1 1 82 82 GLU N N 82 117.196 117.196 119.349 -2.153 19395 6750 1 11 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.934 0.002 19395 6751 1 11 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.363 0.131 19395 6752 1 11 . 1 1 82 82 GLU CB C 82 29.451 29.451 28.673 0.778 19395 6753 1 11 . 1 1 82 82 GLU H H 82 7.878 7.878 7.831 0.047 19395 6754 1 11 . 1 1 83 83 ASP N N 83 121.828 121.828 120.168 1.660 19395 6755 1 11 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.291 -0.052 19395 6756 1 11 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.385 0.894 19395 6757 1 11 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.323 -1.174 19395 6758 1 11 . 1 1 83 83 ASP H H 83 8.156 8.156 7.806 0.350 19395 6759 1 11 . 1 1 84 84 TRP N N 84 124.374 124.374 122.471 1.903 19395 6760 1 11 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.242 0.682 19395 6761 1 11 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.992 -0.970 19395 6762 1 11 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.753 0.057 19395 6763 1 11 . 1 1 84 84 TRP H H 84 8.939 8.939 7.885 1.054 19395 6764 1 11 . 1 1 85 85 LEU N N 85 117.918 117.918 116.953 0.965 19395 6765 1 11 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.132 -0.372 19395 6766 1 11 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.236 0.762 19395 6767 1 11 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.290 1.039 19395 6768 1 11 . 1 1 85 85 LEU H H 85 8.723 8.723 8.075 0.648 19395 6769 1 11 . 1 1 86 86 SER N N 86 114.182 114.182 114.795 -0.613 19395 6770 1 11 . 1 1 86 86 SER HA H 86 4.187 4.187 4.249 -0.062 19395 6771 1 11 . 1 1 86 86 SER CA C 86 61.997 61.997 61.546 0.451 19395 6772 1 11 . 1 1 86 86 SER CB C 86 62.984 62.984 63.072 -0.088 19395 6773 1 11 . 1 1 86 86 SER H H 86 8.067 8.067 8.008 0.059 19395 6774 1 11 . 1 1 87 87 LEU N N 87 125.441 125.441 122.746 2.695 19395 6775 1 11 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.127 0.083 19395 6776 1 11 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.292 0.645 19395 6777 1 11 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.515 1.064 19395 6778 1 11 . 1 1 87 87 LEU H H 87 8.300 8.300 8.249 0.051 19395 6779 1 11 . 1 1 88 88 VAL N N 88 116.784 116.784 116.224 0.560 19395 6780 1 11 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.728 -0.662 19395 6781 1 11 . 1 1 88 88 VAL CA C 88 66.385 66.385 66.329 0.056 19395 6782 1 11 . 1 1 88 88 VAL CB C 88 30.764 30.764 30.615 0.149 19395 6783 1 11 . 1 1 88 88 VAL H H 88 8.468 8.468 7.834 0.634 19395 6784 1 11 . 1 1 89 89 LYS N N 89 118.569 118.569 118.462 0.107 19395 6785 1 11 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.192 -0.167 19395 6786 1 11 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.867 0.609 19395 6787 1 11 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.365 0.491 19395 6788 1 11 . 1 1 89 89 LYS H H 89 7.652 7.652 8.546 -0.894 19395 6789 1 11 . 1 1 90 90 ALA N N 90 119.043 119.043 119.491 -0.448 19395 6790 1 11 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.367 -0.216 19395 6791 1 11 . 1 1 90 90 ALA CA C 90 55.045 55.045 54.000 1.045 19395 6792 1 11 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.631 -1.177 19395 6793 1 11 . 1 1 90 90 ALA H H 90 7.616 7.616 7.858 -0.242 19395 6794 1 11 . 1 1 91 91 LYS N N 91 117.654 117.654 120.240 -2.586 19395 6795 1 11 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.995 -0.058 19395 6796 1 11 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.059 -1.305 19395 6797 1 11 . 1 1 91 91 LYS CB C 91 30.163 30.163 32.053 -1.890 19395 6798 1 11 . 1 1 91 91 LYS H H 91 8.658 8.658 8.549 0.109 19395 6799 1 11 . 1 1 92 92 PHE N N 92 113.471 113.471 119.215 -5.744 19395 6800 1 11 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.309 0.310 19395 6801 1 11 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.270 -0.675 19395 6802 1 11 . 1 1 92 92 PHE CB C 92 37.684 37.684 38.984 -1.300 19395 6803 1 11 . 1 1 92 92 PHE H H 92 7.472 7.472 8.312 -0.840 19395 6804 1 11 . 1 1 93 93 CYS N N 93 117.138 117.138 117.097 0.041 19395 6805 1 11 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.670 0.693 19395 6806 1 11 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.516 2.448 19395 6807 1 11 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.707 -0.229 19395 6808 1 11 . 1 1 93 93 CYS H H 93 7.562 7.562 7.049 0.513 19395 6809 1 11 . 1 1 94 94 GLU N N 94 118.594 118.594 119.983 -1.389 19395 6810 1 11 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.281 -0.154 19395 6811 1 11 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.727 1.314 19395 6812 1 11 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.089 -0.016 19395 6813 1 11 . 1 1 94 94 GLU H H 94 8.236 8.236 8.328 -0.092 19395 6814 1 11 . 1 1 95 95 ALA N N 95 121.081 121.081 123.054 -1.973 19395 6815 1 11 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.743 0.134 19395 6816 1 11 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.166 0.203 19395 6817 1 11 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.979 -1.855 19395 6818 1 11 . 1 1 95 95 ALA H H 95 7.898 7.898 7.510 0.388 19395 6819 1 11 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.391 0.432 19395 6820 1 11 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.401 0.566 19395 6821 1 11 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.592 0.964 19395 6822 1 11 . 1 1 97 97 GLY N N 97 113.478 113.478 114.540 -1.062 19395 6823 1 11 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.756 -0.057 19395 6824 1 11 . 1 1 97 97 GLY H H 97 9.198 9.198 8.405 0.793 19395 6825 1 11 . 1 1 98 98 SER N N 98 115.643 115.643 115.184 0.459 19395 6826 1 11 . 1 1 98 98 SER HA H 98 4.560 4.560 4.286 0.274 19395 6827 1 11 . 1 1 98 98 SER CA C 98 58.923 58.923 59.162 -0.239 19395 6828 1 11 . 1 1 98 98 SER CB C 98 64.427 64.427 64.557 -0.130 19395 6829 1 11 . 1 1 98 98 SER H H 98 8.066 8.066 7.437 0.629 19395 6830 1 11 . 1 1 99 99 CYS N N 99 115.484 115.484 116.959 -1.475 19395 6831 1 11 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.404 -0.007 19395 6832 1 11 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.592 -1.805 19395 6833 1 11 . 1 1 99 99 CYS CB C 99 29.985 29.985 32.192 -2.207 19395 6834 1 11 . 1 1 99 99 CYS H H 99 7.532 7.532 8.223 -0.691 19395 6835 1 11 . 1 1 100 100 VAL N N 100 128.065 128.065 118.679 9.386 19395 6836 1 11 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.347 -0.039 19395 6837 1 11 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.798 1.833 19395 6838 1 11 . 1 1 100 100 VAL CB C 100 34.384 34.384 34.182 0.202 19395 6839 1 11 . 1 1 100 100 VAL H H 100 8.392 8.392 8.545 -0.153 19395 6840 1 11 . 1 1 101 101 ALA N N 101 130.346 130.346 130.774 -0.428 19395 6841 1 11 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.904 0.856 19395 6842 1 11 . 1 1 101 101 ALA CA C 101 50.101 50.101 50.877 -0.776 19395 6843 1 11 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.288 1.830 19395 6844 1 11 . 1 1 101 101 ALA H H 101 8.882 8.882 7.899 0.983 19395 6845 1 11 . 1 1 102 102 VAL N N 102 120.866 120.866 117.378 3.488 19395 6846 1 11 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.670 0.953 19395 6847 1 11 . 1 1 102 102 VAL CA C 102 58.795 58.795 60.429 -1.634 19395 6848 1 11 . 1 1 102 102 VAL CB C 102 35.140 35.140 36.462 -1.321 19395 6849 1 11 . 1 1 102 102 VAL H H 102 9.359 9.359 8.859 0.500 19395 6850 1 11 . 1 1 103 103 HIS N N 103 120.019 120.019 124.132 -4.113 19395 6851 1 11 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.816 -0.033 19395 6852 1 11 . 1 1 103 103 HIS CA C 103 55.292 55.292 56.386 -1.094 19395 6853 1 11 . 1 1 103 103 HIS CB C 103 33.032 33.032 29.628 3.404 19395 6854 1 11 . 1 1 103 103 HIS H H 103 8.749 8.749 8.588 0.161 19395 6855 1 11 . 1 1 104 104 CYS N N 104 118.175 118.175 123.071 -4.896 19395 6856 1 11 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.725 -0.028 19395 6857 1 11 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.278 -1.013 19395 6858 1 11 . 1 1 104 104 CYS CB C 104 33.179 33.179 31.163 2.016 19395 6859 1 11 . 1 1 104 104 CYS H H 104 8.428 8.428 8.215 0.213 19395 6860 1 11 . 1 1 105 105 VAL N N 105 125.962 125.962 121.068 4.894 19395 6861 1 11 . 1 1 105 105 VAL HA H 105 4.219 4.219 3.959 0.260 19395 6862 1 11 . 1 1 105 105 VAL CA C 105 66.483 66.483 62.270 4.213 19395 6863 1 11 . 1 1 105 105 VAL CB C 105 32.383 32.383 33.077 -0.694 19395 6864 1 11 . 1 1 105 105 VAL H H 105 8.422 8.422 8.209 0.213 19395 6865 1 11 . 1 1 106 106 ALA N N 106 123.180 123.180 121.441 1.739 19395 6866 1 11 . 1 1 106 106 ALA HA H 106 4.695 4.695 3.891 0.804 19395 6867 1 11 . 1 1 106 106 ALA CA C 106 52.862 52.862 54.051 -1.189 19395 6868 1 11 . 1 1 106 106 ALA CB C 106 20.123 20.123 18.831 1.292 19395 6869 1 11 . 1 1 106 106 ALA H H 106 9.997 9.997 8.373 1.624 19395 6870 1 11 . 1 1 107 107 GLY N N 107 109.076 109.076 103.696 5.380 19395 6871 1 11 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.387 2.232 19395 6872 1 11 . 1 1 107 107 GLY H H 107 8.019 8.019 7.751 0.268 19395 6873 1 11 . 1 1 108 108 LEU N N 108 117.413 117.413 122.434 -5.021 19395 6874 1 11 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.761 0.703 19395 6875 1 11 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.300 0.482 19395 6876 1 11 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.754 4.066 19395 6877 1 11 . 1 1 108 108 LEU H H 108 7.598 7.598 8.334 -0.736 19395 6878 1 11 . 1 1 109 109 GLY N N 109 111.143 111.143 107.456 3.687 19395 6879 1 11 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.612 0.029 19395 6880 1 11 . 1 1 109 109 GLY H H 109 10.576 10.576 8.782 1.794 19395 6881 1 11 . 1 1 110 110 ARG N N 110 127.464 127.464 123.958 3.506 19395 6882 1 11 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.847 -0.292 19395 6883 1 11 . 1 1 110 110 ARG CA C 110 60.426 60.426 58.594 1.832 19395 6884 1 11 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.017 3.166 19395 6885 1 11 . 1 1 110 110 ARG H H 110 10.234 10.234 8.433 1.801 19395 6886 1 11 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.223 -0.339 19395 6887 1 11 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.518 1.014 19395 6888 1 11 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.470 -0.561 19395 6889 1 11 . 1 1 113 113 VAL N N 113 116.720 116.720 119.490 -2.770 19395 6890 1 11 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.658 -0.098 19395 6891 1 11 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.730 -0.000 19395 6892 1 11 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.208 -0.685 19395 6893 1 11 . 1 1 113 113 VAL H H 113 8.340 8.340 8.541 -0.201 19395 6894 1 11 . 1 1 114 114 LEU N N 114 119.045 119.045 119.889 -0.844 19395 6895 1 11 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.216 -0.558 19395 6896 1 11 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.317 -0.287 19395 6897 1 11 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.179 -2.381 19395 6898 1 11 . 1 1 114 114 LEU H H 114 6.990 6.990 8.433 -1.443 19395 6899 1 11 . 1 1 115 115 VAL N N 115 120.270 120.270 116.004 4.266 19395 6900 1 11 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.353 -0.310 19395 6901 1 11 . 1 1 115 115 VAL CA C 115 67.509 67.509 66.133 1.375 19395 6902 1 11 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.129 -0.342 19395 6903 1 11 . 1 1 115 115 VAL H H 115 7.188 7.188 7.626 -0.438 19395 6904 1 11 . 1 1 116 116 ALA N N 116 121.280 121.280 122.645 -1.365 19395 6905 1 11 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.102 -0.341 19395 6906 1 11 . 1 1 116 116 ALA CA C 116 55.857 55.857 54.959 0.898 19395 6907 1 11 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.594 -0.726 19395 6908 1 11 . 1 1 116 116 ALA H H 116 8.649 8.649 8.373 0.276 19395 6909 1 11 . 1 1 117 117 LEU N N 117 116.557 116.557 120.310 -3.753 19395 6910 1 11 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.869 -0.101 19395 6911 1 11 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.729 0.631 19395 6912 1 11 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.759 2.308 19395 6913 1 11 . 1 1 117 117 LEU H H 117 8.048 8.048 7.493 0.555 19395 6914 1 11 . 1 1 118 118 ALA N N 118 119.916 119.916 119.885 0.031 19395 6915 1 11 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.505 0.564 19395 6916 1 11 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.297 1.067 19395 6917 1 11 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.247 1.381 19395 6918 1 11 . 1 1 118 118 ALA H H 118 7.691 7.691 6.752 0.939 19395 6919 1 11 . 1 1 119 119 LEU N N 119 116.962 116.962 119.849 -2.887 19395 6920 1 11 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.047 -0.172 19395 6921 1 11 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.554 0.871 19395 6922 1 11 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.782 -1.997 19395 6923 1 11 . 1 1 119 119 LEU H H 119 7.988 7.988 7.498 0.490 19395 6924 1 11 . 1 1 120 120 ILE N N 120 123.209 123.209 119.128 4.081 19395 6925 1 11 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.968 0.781 19395 6926 1 11 . 1 1 120 120 ILE CA C 120 64.104 64.104 63.667 0.437 19395 6927 1 11 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.634 1.608 19395 6928 1 11 . 1 1 120 120 ILE H H 120 8.643 8.643 8.057 0.586 19395 6929 1 11 . 1 1 121 121 GLU N N 121 121.219 121.219 118.864 2.355 19395 6930 1 11 . 1 1 121 121 GLU HA H 121 4.508 4.508 3.947 0.561 19395 6931 1 11 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.151 -0.012 19395 6932 1 11 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.833 0.400 19395 6933 1 11 . 1 1 121 121 GLU H H 121 8.680 8.680 7.768 0.912 19395 6934 1 11 . 1 1 122 122 SER N N 122 114.306 114.306 112.548 1.758 19395 6935 1 11 . 1 1 122 122 SER HA H 122 4.783 4.783 4.231 0.552 19395 6936 1 11 . 1 1 122 122 SER CA C 122 58.581 58.581 60.068 -1.487 19395 6937 1 11 . 1 1 122 122 SER CB C 122 64.656 64.656 63.738 0.918 19395 6938 1 11 . 1 1 122 122 SER H H 122 7.834 7.834 8.035 -0.201 19395 6939 1 11 . 1 1 123 123 GLY N N 123 108.666 108.666 108.975 -0.309 19395 6940 1 11 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.497 0.583 19395 6941 1 11 . 1 1 123 123 GLY H H 123 7.902 7.902 7.829 0.073 19395 6942 1 11 . 1 1 124 124 MET N N 124 123.358 123.358 120.198 3.160 19395 6943 1 11 . 1 1 124 124 MET HA H 124 4.258 4.258 4.665 -0.407 19395 6944 1 11 . 1 1 124 124 MET CA C 124 56.698 56.698 53.297 3.401 19395 6945 1 11 . 1 1 124 124 MET CB C 124 34.104 34.104 35.765 -1.661 19395 6946 1 11 . 1 1 124 124 MET H H 124 7.970 7.970 7.426 0.544 19395 6947 1 11 . 1 1 125 125 LYS N N 125 125.848 125.848 124.231 1.617 19395 6948 1 11 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.315 -0.021 19395 6949 1 11 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.557 0.352 19395 6950 1 11 . 1 1 125 125 LYS CB C 125 32.737 32.737 31.944 0.793 19395 6951 1 11 . 1 1 125 125 LYS H H 125 8.903 8.903 8.437 0.466 19395 6952 1 11 . 1 1 126 126 TYR N N 126 124.016 124.016 128.093 -4.077 19395 6953 1 11 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.923 0.137 19395 6954 1 11 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.482 -0.748 19395 6955 1 11 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.779 0.163 19395 6956 1 11 . 1 1 126 126 TYR H H 126 9.242 9.242 9.114 0.128 19395 6957 1 11 . 1 1 127 127 GLU N N 127 119.702 119.702 118.106 1.596 19395 6958 1 11 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.153 0.240 19395 6959 1 11 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.608 0.607 19395 6960 1 11 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.669 0.316 19395 6961 1 11 . 1 1 127 127 GLU H H 127 9.102 9.102 8.624 0.478 19395 6962 1 11 . 1 1 128 128 ASP N N 128 118.661 118.661 119.131 -0.470 19395 6963 1 11 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.441 -0.030 19395 6964 1 11 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.386 -0.812 19395 6965 1 11 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.520 -0.414 19395 6966 1 11 . 1 1 128 128 ASP H H 128 6.782 6.782 8.150 -1.368 19395 6967 1 11 . 1 1 129 129 ALA N N 129 125.068 125.068 122.313 2.755 19395 6968 1 11 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.001 0.226 19395 6969 1 11 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.316 0.097 19395 6970 1 11 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.418 -0.106 19395 6971 1 11 . 1 1 129 129 ALA H H 129 8.365 8.365 8.310 0.055 19395 6972 1 11 . 1 1 130 130 ILE N N 130 115.533 115.533 119.065 -3.532 19395 6973 1 11 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.594 -0.103 19395 6974 1 11 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.635 1.481 19395 6975 1 11 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.371 0.415 19395 6976 1 11 . 1 1 130 130 ILE H H 130 8.044 8.044 8.315 -0.271 19395 6977 1 11 . 1 1 131 131 GLN N N 131 118.503 118.503 118.309 0.194 19395 6978 1 11 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.941 0.075 19395 6979 1 11 . 1 1 131 131 GLN CA C 131 58.791 58.791 59.120 -0.329 19395 6980 1 11 . 1 1 131 131 GLN CB C 131 28.439 28.439 28.409 0.030 19395 6981 1 11 . 1 1 131 131 GLN H H 131 7.426 7.426 7.921 -0.495 19395 6982 1 11 . 1 1 132 132 PHE N N 132 120.679 120.679 121.295 -0.616 19395 6983 1 11 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.203 0.120 19395 6984 1 11 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.360 -0.185 19395 6985 1 11 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.057 0.793 19395 6986 1 11 . 1 1 132 132 PHE H H 132 8.416 8.416 7.836 0.580 19395 6987 1 11 . 1 1 133 133 ILE N N 133 116.466 116.466 115.774 0.692 19395 6988 1 11 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.538 -0.049 19395 6989 1 11 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.067 -0.070 19395 6990 1 11 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.704 -0.143 19395 6991 1 11 . 1 1 133 133 ILE H H 133 7.964 7.964 7.902 0.062 19395 6992 1 11 . 1 1 134 134 ARG N N 134 119.204 119.204 121.124 -1.920 19395 6993 1 11 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.178 0.144 19395 6994 1 11 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.960 0.200 19395 6995 1 11 . 1 1 134 134 ARG CB C 134 30.212 30.212 30.759 -0.547 19395 6996 1 11 . 1 1 134 134 ARG H H 134 8.449 8.449 8.486 -0.037 19395 6997 1 11 . 1 1 135 135 GLN N N 135 117.511 117.511 118.903 -1.392 19395 6998 1 11 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.215 -0.178 19395 6999 1 11 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.048 0.289 19395 7000 1 11 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.686 -0.247 19395 7001 1 11 . 1 1 135 135 GLN H H 135 7.829 7.829 8.256 -0.427 19395 7002 1 11 . 1 1 136 136 LYS N N 136 116.364 116.364 116.102 0.262 19395 7003 1 11 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.318 -0.024 19395 7004 1 11 . 1 1 136 136 LYS CA C 136 56.209 56.209 55.924 0.285 19395 7005 1 11 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.616 0.363 19395 7006 1 11 . 1 1 136 136 LYS H H 136 7.280 7.280 7.643 -0.363 19395 7007 1 11 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.244 -0.399 19395 7008 1 11 . 1 1 140 140 ALA N N 140 121.841 121.841 122.860 -1.019 19395 7009 1 11 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.172 0.184 19395 7010 1 11 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.559 -0.232 19395 7011 1 11 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.393 0.181 19395 7012 1 11 . 1 1 140 140 ALA H H 140 7.553 7.553 8.081 -0.528 19395 7013 1 11 . 1 1 141 141 ILE N N 141 113.228 113.228 116.014 -2.786 19395 7014 1 11 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.236 -0.898 19395 7015 1 11 . 1 1 141 141 ILE CA C 141 65.889 65.889 59.036 6.853 19395 7016 1 11 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.515 -4.327 19395 7017 1 11 . 1 1 141 141 ILE H H 141 8.744 8.744 8.105 0.639 19395 7018 1 11 . 1 1 142 142 ASN N N 142 126.808 126.808 117.645 9.163 19395 7019 1 11 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.561 0.162 19395 7020 1 11 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.562 -3.479 19395 7021 1 11 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.995 -1.065 19395 7022 1 11 . 1 1 142 142 ASN H H 142 8.538 8.538 8.089 0.449 19395 7023 1 11 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.950 0.217 19395 7024 1 11 . 1 1 145 145 GLN N N 145 120.931 120.931 118.541 2.390 19395 7025 1 11 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.025 -0.290 19395 7026 1 11 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.431 0.404 19395 7027 1 11 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.804 -0.001 19395 7028 1 11 . 1 1 145 145 GLN H H 145 8.737 8.737 8.286 0.451 19395 7029 1 11 . 1 1 146 146 LEU N N 146 122.433 122.433 120.380 2.053 19395 7030 1 11 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.151 -0.176 19395 7031 1 11 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.610 0.403 19395 7032 1 11 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.861 -0.065 19395 7033 1 11 . 1 1 146 146 LEU H H 146 8.917 8.917 8.260 0.657 19395 7034 1 11 . 1 1 147 147 THR N N 147 115.378 115.378 113.206 2.172 19395 7035 1 11 . 1 1 147 147 THR HA H 147 3.936 3.936 3.876 0.060 19395 7036 1 11 . 1 1 147 147 THR CA C 147 66.512 66.512 65.774 0.738 19395 7037 1 11 . 1 1 147 147 THR CB C 147 68.865 68.865 68.301 0.564 19395 7038 1 11 . 1 1 147 147 THR H H 147 7.948 7.948 7.908 0.040 19395 7039 1 11 . 1 1 148 148 TYR N N 148 120.402 120.402 123.473 -3.071 19395 7040 1 11 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.149 -0.067 19395 7041 1 11 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.294 -0.099 19395 7042 1 11 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.149 -0.172 19395 7043 1 11 . 1 1 148 148 TYR H H 148 7.366 7.366 8.457 -1.091 19395 7044 1 11 . 1 1 149 149 LEU N N 149 119.957 119.957 118.822 1.135 19395 7045 1 11 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.314 0.414 19395 7046 1 11 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.441 1.100 19395 7047 1 11 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.451 2.112 19395 7048 1 11 . 1 1 149 149 LEU H H 149 7.968 7.968 7.437 0.531 19395 7049 1 11 . 1 1 150 150 GLU N N 150 120.132 120.132 117.540 2.592 19395 7050 1 11 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.554 -1.171 19395 7051 1 11 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.635 -0.172 19395 7052 1 11 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.695 -0.114 19395 7053 1 11 . 1 1 150 150 GLU H H 150 8.305 8.305 7.460 0.845 19395 7054 1 11 . 1 1 151 151 LYS N N 151 114.600 114.600 115.705 -1.105 19395 7055 1 11 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.183 -0.112 19395 7056 1 11 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.950 -1.318 19395 7057 1 11 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.230 -0.283 19395 7058 1 11 . 1 1 151 151 LYS H H 151 7.106 7.106 7.470 -0.364 19395 7059 1 11 . 1 1 152 152 TYR N N 152 123.664 123.664 122.037 1.627 19395 7060 1 11 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.191 -0.416 19395 7061 1 11 . 1 1 152 152 TYR CA C 152 59.659 59.659 58.871 0.788 19395 7062 1 11 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.868 -0.623 19395 7063 1 11 . 1 1 152 152 TYR H H 152 7.187 7.187 7.560 -0.373 19395 7064 1 11 . 1 1 153 153 ARG N N 153 130.321 130.321 125.767 4.554 19395 7065 1 11 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.506 0.259 19395 7066 1 11 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.855 -0.341 19395 7067 1 11 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.834 -1.653 19395 7068 1 11 . 1 1 153 153 ARG H H 153 7.760 7.760 7.754 0.006 19395 7069 1 11 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.640 -0.000 19395 7070 1 11 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.719 -0.664 19395 7071 1 11 . 1 1 154 154 PRO CB C 154 33.603 33.603 31.934 1.669 19395 7072 1 11 . 1 1 155 155 LYS N N 155 122.066 122.066 122.536 -0.470 19395 7073 1 11 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.167 0.271 19395 7074 1 11 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.395 -0.472 19395 7075 1 11 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.254 1.189 19395 7076 1 11 . 1 1 155 155 LYS H H 155 9.586 9.586 8.386 1.200 19395 7077 1 11 . 1 1 156 156 GLN N N 156 117.702 117.702 114.950 2.752 19395 7078 1 11 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.178 0.188 19395 7079 1 11 . 1 1 156 156 GLN CA C 156 56.549 56.549 57.103 -0.554 19395 7080 1 11 . 1 1 156 156 GLN CB C 156 26.728 26.728 26.027 0.701 19395 7081 1 11 . 1 1 156 156 GLN H H 156 8.334 8.334 8.138 0.196 19395 7082 1 11 . 1 1 157 157 ARG N N 157 117.466 117.466 118.859 -1.393 19395 7083 1 11 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.362 -0.207 19395 7084 1 11 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.726 0.296 19395 7085 1 11 . 1 1 157 157 ARG CB C 157 30.769 30.769 30.928 -0.159 19395 7086 1 11 . 1 1 157 157 ARG H H 157 8.983 8.983 8.399 0.584 19395 7087 1 11 . 1 1 158 158 LEU N N 158 117.973 117.973 117.011 0.962 19395 7088 1 11 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.359 0.270 19395 7089 1 11 . 1 1 158 158 LEU CA C 158 53.469 53.469 55.943 -2.474 19395 7090 1 11 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.790 -1.285 19395 7091 1 11 . 1 1 158 158 LEU H H 158 8.123 8.123 7.724 0.399 19395 7092 1 11 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.119 -0.006 19395 7093 1 11 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.000 2.487 19395 7094 1 11 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.783 -1.609 19395 7095 1 11 . 1 1 161 161 LYS H H 161 7.856 7.856 7.871 -0.015 19395 7096 1 12 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.470 -0.123 19395 7097 1 12 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.692 -0.154 19395 7098 1 12 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.846 -1.054 19395 7099 1 12 . 1 1 8 8 ALA N N 8 126.708 126.708 127.215 -0.507 19395 7100 1 12 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.858 -0.247 19395 7101 1 12 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.103 1.205 19395 7102 1 12 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.055 -0.850 19395 7103 1 12 . 1 1 8 8 ALA H H 8 8.399 8.399 8.316 0.083 19395 7104 1 12 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.352 0.299 19395 7105 1 12 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.188 0.395 19395 7106 1 12 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.717 -0.205 19395 7107 1 12 . 1 1 10 10 VAL N N 10 118.581 118.581 119.655 -1.074 19395 7108 1 12 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.340 -0.039 19395 7109 1 12 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.121 -0.288 19395 7110 1 12 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.080 0.597 19395 7111 1 12 . 1 1 10 10 VAL H H 10 8.025 8.025 7.960 0.065 19395 7112 1 12 . 1 1 11 11 GLU N N 11 129.673 129.673 129.400 0.273 19395 7113 1 12 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.088 -0.003 19395 7114 1 12 . 1 1 11 11 GLU CA C 11 54.747 54.747 55.095 -0.348 19395 7115 1 12 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.356 0.773 19395 7116 1 12 . 1 1 11 11 GLU H H 11 8.723 8.723 8.811 -0.088 19395 7117 1 12 . 1 1 12 12 VAL N N 12 127.093 127.093 127.903 -0.810 19395 7118 1 12 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.527 -0.244 19395 7119 1 12 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.103 1.493 19395 7120 1 12 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.389 1.157 19395 7121 1 12 . 1 1 12 12 VAL H H 12 9.247 9.247 9.146 0.101 19395 7122 1 12 . 1 1 13 13 SER N N 13 123.385 123.385 125.426 -2.041 19395 7123 1 12 . 1 1 13 13 SER HA H 13 5.302 5.302 4.780 0.522 19395 7124 1 12 . 1 1 13 13 SER CA C 13 56.409 56.409 58.520 -2.111 19395 7125 1 12 . 1 1 13 13 SER CB C 13 64.981 64.981 63.545 1.436 19395 7126 1 12 . 1 1 13 13 SER H H 13 9.001 9.001 8.727 0.274 19395 7127 1 12 . 1 1 14 14 TYR N N 14 124.413 124.413 128.299 -3.886 19395 7128 1 12 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.521 0.016 19395 7129 1 12 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.841 0.392 19395 7130 1 12 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.740 1.839 19395 7131 1 12 . 1 1 14 14 TYR H H 14 8.347 8.347 9.032 -0.685 19395 7132 1 12 . 1 1 15 15 LYS N N 15 125.130 125.130 120.058 5.072 19395 7133 1 12 . 1 1 15 15 LYS HA H 15 3.399 3.399 4.020 -0.621 19395 7134 1 12 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.455 -0.081 19395 7135 1 12 . 1 1 15 15 LYS CB C 15 29.894 29.894 31.999 -2.105 19395 7136 1 12 . 1 1 15 15 LYS H H 15 8.820 8.820 8.149 0.671 19395 7137 1 12 . 1 1 16 16 HIS N N 16 121.278 121.278 117.282 3.996 19395 7138 1 12 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.651 -0.201 19395 7139 1 12 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.036 1.702 19395 7140 1 12 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.592 0.637 19395 7141 1 12 . 1 1 16 16 HIS H H 16 8.784 8.784 8.297 0.487 19395 7142 1 12 . 1 1 17 17 MET N N 17 120.113 120.113 114.290 5.823 19395 7143 1 12 . 1 1 17 17 MET HA H 17 2.326 2.326 4.746 -2.420 19395 7144 1 12 . 1 1 17 17 MET CA C 17 54.714 54.714 55.262 -0.548 19395 7145 1 12 . 1 1 17 17 MET CB C 17 34.848 34.848 35.182 -0.334 19395 7146 1 12 . 1 1 17 17 MET H H 17 8.106 8.106 7.453 0.653 19395 7147 1 12 . 1 1 18 18 ARG N N 18 121.252 121.252 119.947 1.305 19395 7148 1 12 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.319 -0.480 19395 7149 1 12 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.297 0.496 19395 7150 1 12 . 1 1 18 18 ARG CB C 18 33.816 33.816 34.131 -0.315 19395 7151 1 12 . 1 1 18 18 ARG H H 18 5.904 5.904 8.599 -2.695 19395 7152 1 12 . 1 1 19 19 PHE N N 19 121.195 121.195 121.959 -0.764 19395 7153 1 12 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.114 0.886 19395 7154 1 12 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.880 -0.262 19395 7155 1 12 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.903 -0.287 19395 7156 1 12 . 1 1 19 19 PHE H H 19 9.178 9.178 9.271 -0.093 19395 7157 1 12 . 1 1 20 20 LEU N N 20 123.804 123.804 122.706 1.098 19395 7158 1 12 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.255 -0.145 19395 7159 1 12 . 1 1 20 20 LEU CA C 20 52.568 52.568 53.800 -1.232 19395 7160 1 12 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.791 2.092 19395 7161 1 12 . 1 1 20 20 LEU H H 20 8.601 8.601 9.300 -0.699 19395 7162 1 12 . 1 1 21 21 ILE N N 21 126.661 126.661 122.332 4.329 19395 7163 1 12 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.098 0.033 19395 7164 1 12 . 1 1 21 21 ILE CA C 21 60.828 60.828 59.526 1.302 19395 7165 1 12 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.494 0.715 19395 7166 1 12 . 1 1 21 21 ILE H H 21 9.323 9.323 9.162 0.161 19395 7167 1 12 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.402 -0.073 19395 7168 1 12 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.411 -1.593 19395 7169 1 12 . 1 1 25 25 PRO CB C 25 32.524 32.524 31.090 1.433 19395 7170 1 12 . 1 1 26 26 THR N N 26 131.812 131.812 118.556 13.256 19395 7171 1 12 . 1 1 26 26 THR H H 26 6.781 6.781 8.195 -1.414 19395 7172 1 12 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.229 0.115 19395 7173 1 12 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.459 0.562 19395 7174 1 12 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.438 -0.255 19395 7175 1 12 . 1 1 29 29 THR N N 29 104.375 104.375 110.767 -6.392 19395 7176 1 12 . 1 1 29 29 THR HA H 29 4.847 4.847 4.346 0.501 19395 7177 1 12 . 1 1 29 29 THR CA C 29 60.370 60.370 61.915 -1.545 19395 7178 1 12 . 1 1 29 29 THR CB C 29 69.135 69.135 70.162 -1.028 19395 7179 1 12 . 1 1 29 29 THR H H 29 7.642 7.642 7.938 -0.296 19395 7180 1 12 . 1 1 30 30 LEU N N 30 124.383 124.383 121.234 3.149 19395 7181 1 12 . 1 1 30 30 LEU HA H 30 4.013 4.013 4.013 -0.000 19395 7182 1 12 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.055 0.656 19395 7183 1 12 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.708 1.646 19395 7184 1 12 . 1 1 30 30 LEU H H 30 7.356 7.356 8.134 -0.778 19395 7185 1 12 . 1 1 31 31 SER N N 31 111.792 111.792 114.105 -2.313 19395 7186 1 12 . 1 1 31 31 SER H H 31 6.915 6.915 8.255 -1.340 19395 7187 1 12 . 1 1 32 32 THR N N 32 116.374 116.374 115.376 0.998 19395 7188 1 12 . 1 1 32 32 THR HA H 32 4.109 4.109 4.134 -0.025 19395 7189 1 12 . 1 1 32 32 THR CA C 32 65.142 65.142 65.637 -0.495 19395 7190 1 12 . 1 1 32 32 THR CB C 32 68.628 68.628 68.531 0.096 19395 7191 1 12 . 1 1 32 32 THR H H 32 7.589 7.589 8.280 -0.691 19395 7192 1 12 . 1 1 33 33 PHE N N 33 124.790 124.790 123.709 1.081 19395 7193 1 12 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.235 0.240 19395 7194 1 12 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.553 0.497 19395 7195 1 12 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.538 1.301 19395 7196 1 12 . 1 1 33 33 PHE H H 33 7.644 7.644 7.872 -0.228 19395 7197 1 12 . 1 1 34 34 ILE N N 34 117.776 117.776 118.723 -0.947 19395 7198 1 12 . 1 1 34 34 ILE HA H 34 3.347 3.347 2.929 0.418 19395 7199 1 12 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.358 1.665 19395 7200 1 12 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.440 -5.794 19395 7201 1 12 . 1 1 34 34 ILE H H 34 8.535 8.535 8.678 -0.143 19395 7202 1 12 . 1 1 35 35 GLU N N 35 119.202 119.202 118.848 0.354 19395 7203 1 12 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.898 0.029 19395 7204 1 12 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.620 0.126 19395 7205 1 12 . 1 1 35 35 GLU CB C 35 29.375 29.375 28.978 0.397 19395 7206 1 12 . 1 1 35 35 GLU H H 35 7.512 7.512 7.460 0.052 19395 7207 1 12 . 1 1 36 36 ASP N N 36 121.117 121.117 120.440 0.677 19395 7208 1 12 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.498 0.056 19395 7209 1 12 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.322 0.616 19395 7210 1 12 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.782 -0.663 19395 7211 1 12 . 1 1 36 36 ASP H H 36 8.049 8.049 7.867 0.182 19395 7212 1 12 . 1 1 37 37 LEU N N 37 119.257 119.257 116.366 2.891 19395 7213 1 12 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.246 -0.493 19395 7214 1 12 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.683 0.820 19395 7215 1 12 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.149 -1.189 19395 7216 1 12 . 1 1 37 37 LEU H H 37 8.016 8.016 7.478 0.538 19395 7217 1 12 . 1 1 38 38 LYS N N 38 117.743 117.743 119.555 -1.812 19395 7218 1 12 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.116 -0.018 19395 7219 1 12 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.304 0.000 19395 7220 1 12 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.787 -0.519 19395 7221 1 12 . 1 1 38 38 LYS H H 38 8.336 8.336 7.937 0.399 19395 7222 1 12 . 1 1 39 39 LYS N N 39 122.164 122.164 117.889 4.275 19395 7223 1 12 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.118 0.038 19395 7224 1 12 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.763 0.670 19395 7225 1 12 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.149 0.262 19395 7226 1 12 . 1 1 39 39 LYS H H 39 8.113 8.113 8.178 -0.065 19395 7227 1 12 . 1 1 40 40 TYR N N 40 114.347 114.347 119.547 -5.200 19395 7228 1 12 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.363 0.032 19395 7229 1 12 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.706 -0.056 19395 7230 1 12 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.389 1.307 19395 7231 1 12 . 1 1 40 40 TYR H H 40 7.626 7.626 8.033 -0.407 19395 7232 1 12 . 1 1 41 41 GLY N N 41 109.921 109.921 104.630 5.291 19395 7233 1 12 . 1 1 41 41 GLY CA C 41 46.766 46.766 44.957 1.809 19395 7234 1 12 . 1 1 41 41 GLY H H 41 7.878 7.878 7.358 0.520 19395 7235 1 12 . 1 1 42 42 ALA N N 42 123.757 123.757 123.188 0.569 19395 7236 1 12 . 1 1 42 42 ALA HA H 42 5.158 5.158 4.877 0.281 19395 7237 1 12 . 1 1 42 42 ALA CA C 42 51.138 51.138 51.073 0.065 19395 7238 1 12 . 1 1 42 42 ALA CB C 42 19.909 19.909 20.139 -0.230 19395 7239 1 12 . 1 1 42 42 ALA H H 42 8.544 8.544 8.109 0.435 19395 7240 1 12 . 1 1 43 43 THR N N 43 109.574 109.574 114.376 -4.802 19395 7241 1 12 . 1 1 43 43 THR HA H 43 4.479 4.479 4.428 0.051 19395 7242 1 12 . 1 1 43 43 THR CA C 43 61.144 61.144 61.361 -0.217 19395 7243 1 12 . 1 1 43 43 THR CB C 43 69.180 69.180 68.409 0.771 19395 7244 1 12 . 1 1 43 43 THR H H 43 7.969 7.969 8.361 -0.392 19395 7245 1 12 . 1 1 44 44 THR N N 44 118.101 118.101 116.565 1.536 19395 7246 1 12 . 1 1 44 44 THR HA H 44 5.226 5.226 5.083 0.143 19395 7247 1 12 . 1 1 44 44 THR CA C 44 62.061 62.061 61.798 0.263 19395 7248 1 12 . 1 1 44 44 THR CB C 44 72.595 72.595 72.511 0.084 19395 7249 1 12 . 1 1 44 44 THR H H 44 7.458 7.458 7.485 -0.027 19395 7250 1 12 . 1 1 45 45 VAL N N 45 127.571 127.571 123.668 3.903 19395 7251 1 12 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.538 0.164 19395 7252 1 12 . 1 1 45 45 VAL CA C 45 60.504 60.504 60.283 0.221 19395 7253 1 12 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.692 2.490 19395 7254 1 12 . 1 1 45 45 VAL H H 45 9.398 9.398 9.085 0.313 19395 7255 1 12 . 1 1 46 46 VAL N N 46 129.011 129.011 121.373 7.638 19395 7256 1 12 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.430 -0.100 19395 7257 1 12 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.171 -0.654 19395 7258 1 12 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.950 2.282 19395 7259 1 12 . 1 1 46 46 VAL H H 46 9.342 9.342 9.059 0.283 19395 7260 1 12 . 1 1 47 47 ARG N N 47 129.852 129.852 120.119 9.733 19395 7261 1 12 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.196 0.099 19395 7262 1 12 . 1 1 47 47 ARG CA C 47 56.019 56.019 57.224 -1.206 19395 7263 1 12 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.121 0.696 19395 7264 1 12 . 1 1 47 47 ARG H H 47 9.037 9.037 8.139 0.898 19395 7265 1 12 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.792 -0.858 19395 7266 1 12 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.242 -1.554 19395 7267 1 12 . 1 1 49 49 CYS CB C 49 41.121 41.121 28.687 12.434 19395 7268 1 12 . 1 1 50 50 GLU N N 50 114.931 114.931 120.942 -6.011 19395 7269 1 12 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.222 -0.136 19395 7270 1 12 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.424 -0.124 19395 7271 1 12 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.146 2.299 19395 7272 1 12 . 1 1 50 50 GLU H H 50 8.669 8.669 8.531 0.138 19395 7273 1 12 . 1 1 51 51 VAL N N 51 122.453 122.453 117.261 5.192 19395 7274 1 12 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.247 -0.826 19395 7275 1 12 . 1 1 51 51 VAL CA C 51 64.120 64.120 63.125 0.995 19395 7276 1 12 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.596 -0.566 19395 7277 1 12 . 1 1 51 51 VAL H H 51 8.356 8.356 7.996 0.360 19395 7278 1 12 . 1 1 52 52 THR N N 52 118.382 118.382 115.620 2.762 19395 7279 1 12 . 1 1 52 52 THR HA H 52 4.525 4.525 4.530 -0.005 19395 7280 1 12 . 1 1 52 52 THR CA C 52 61.197 61.197 61.803 -0.606 19395 7281 1 12 . 1 1 52 52 THR CB C 52 69.429 69.429 69.087 0.342 19395 7282 1 12 . 1 1 52 52 THR H H 52 8.936 8.936 8.496 0.440 19395 7283 1 12 . 1 1 53 53 TYR N N 53 116.747 116.747 119.371 -2.624 19395 7284 1 12 . 1 1 53 53 TYR HA H 53 4.762 4.762 5.064 -0.302 19395 7285 1 12 . 1 1 53 53 TYR CA C 53 55.653 55.653 56.019 -0.366 19395 7286 1 12 . 1 1 53 53 TYR CB C 53 39.833 39.833 39.393 0.440 19395 7287 1 12 . 1 1 53 53 TYR H H 53 7.040 7.040 7.824 -0.784 19395 7288 1 12 . 1 1 54 54 ASP N N 54 123.720 123.720 122.308 1.412 19395 7289 1 12 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.687 -0.179 19395 7290 1 12 . 1 1 54 54 ASP CA C 54 53.571 53.571 53.306 0.265 19395 7291 1 12 . 1 1 54 54 ASP CB C 54 41.364 41.364 42.570 -1.206 19395 7292 1 12 . 1 1 54 54 ASP H H 54 9.280 9.280 8.696 0.584 19395 7293 1 12 . 1 1 55 55 LYS N N 55 121.455 121.455 124.192 -2.737 19395 7294 1 12 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.422 0.097 19395 7295 1 12 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.806 0.138 19395 7296 1 12 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.576 1.363 19395 7297 1 12 . 1 1 55 55 LYS H H 55 8.497 8.497 8.528 -0.031 19395 7298 1 12 . 1 1 56 56 THR N N 56 120.743 120.743 118.226 2.517 19395 7299 1 12 . 1 1 56 56 THR HA H 56 4.120 4.120 4.668 -0.548 19395 7300 1 12 . 1 1 56 56 THR CA C 56 68.652 68.652 63.526 5.126 19395 7301 1 12 . 1 1 56 56 THR CB C 56 66.508 66.508 68.804 -2.296 19395 7302 1 12 . 1 1 56 56 THR H H 56 8.701 8.701 8.208 0.493 19395 7303 1 12 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.434 -0.143 19395 7304 1 12 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.699 0.134 19395 7305 1 12 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.182 0.208 19395 7306 1 12 . 1 1 58 58 LEU N N 58 116.313 116.313 116.705 -0.392 19395 7307 1 12 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.202 -0.148 19395 7308 1 12 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.367 1.775 19395 7309 1 12 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.291 0.063 19395 7310 1 12 . 1 1 58 58 LEU H H 58 7.170 7.170 8.154 -0.984 19395 7311 1 12 . 1 1 59 59 GLU N N 59 120.470 120.470 120.741 -0.271 19395 7312 1 12 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.084 0.307 19395 7313 1 12 . 1 1 59 59 GLU CA C 59 59.104 59.104 58.963 0.141 19395 7314 1 12 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.230 0.096 19395 7315 1 12 . 1 1 59 59 GLU H H 59 7.794 7.794 8.789 -0.995 19395 7316 1 12 . 1 1 60 60 LYS N N 60 119.911 119.911 118.880 1.031 19395 7317 1 12 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.250 -0.142 19395 7318 1 12 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.341 1.214 19395 7319 1 12 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.074 -0.011 19395 7320 1 12 . 1 1 60 60 LYS H H 60 8.246 8.246 7.849 0.397 19395 7321 1 12 . 1 1 61 61 ASP N N 61 119.142 119.142 117.799 1.343 19395 7322 1 12 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.695 0.275 19395 7323 1 12 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.570 -0.791 19395 7324 1 12 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.920 0.967 19395 7325 1 12 . 1 1 61 61 ASP H H 61 7.235 7.235 7.609 -0.374 19395 7326 1 12 . 1 1 62 62 GLY N N 62 105.820 105.820 107.768 -1.948 19395 7327 1 12 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.932 0.110 19395 7328 1 12 . 1 1 62 62 GLY H H 62 7.742 7.742 7.558 0.184 19395 7329 1 12 . 1 1 63 63 ILE N N 63 123.074 123.074 119.528 3.546 19395 7330 1 12 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.118 0.220 19395 7331 1 12 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.386 -0.856 19395 7332 1 12 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.227 -0.709 19395 7333 1 12 . 1 1 63 63 ILE H H 63 7.870 7.870 7.799 0.071 19395 7334 1 12 . 1 1 64 64 THR N N 64 123.510 123.510 123.196 0.314 19395 7335 1 12 . 1 1 64 64 THR HA H 64 4.316 4.316 4.305 0.011 19395 7336 1 12 . 1 1 64 64 THR CA C 64 63.015 63.015 63.080 -0.065 19395 7337 1 12 . 1 1 64 64 THR CB C 64 70.376 70.376 69.039 1.337 19395 7338 1 12 . 1 1 64 64 THR H H 64 8.200 8.200 8.661 -0.461 19395 7339 1 12 . 1 1 65 65 VAL N N 65 128.299 128.299 128.450 -0.151 19395 7340 1 12 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.036 1.012 19395 7341 1 12 . 1 1 65 65 VAL CA C 65 61.047 61.047 61.649 -0.602 19395 7342 1 12 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.109 1.008 19395 7343 1 12 . 1 1 65 65 VAL H H 65 8.919 8.919 8.672 0.247 19395 7344 1 12 . 1 1 66 66 VAL N N 66 129.962 129.962 129.737 0.225 19395 7345 1 12 . 1 1 66 66 VAL HA H 66 3.927 3.927 3.942 -0.015 19395 7346 1 12 . 1 1 66 66 VAL CA C 66 60.683 60.683 61.289 -0.606 19395 7347 1 12 . 1 1 66 66 VAL CB C 66 33.620 33.620 30.637 2.983 19395 7348 1 12 . 1 1 66 66 VAL H H 66 9.145 9.145 8.009 1.136 19395 7349 1 12 . 1 1 67 67 ASP N N 67 126.437 126.437 123.427 3.010 19395 7350 1 12 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.730 0.589 19395 7351 1 12 . 1 1 67 67 ASP CA C 67 54.170 54.170 51.929 2.240 19395 7352 1 12 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.180 1.891 19395 7353 1 12 . 1 1 67 67 ASP H H 67 8.099 8.099 7.181 0.918 19395 7354 1 12 . 1 1 68 68 TRP N N 68 125.863 125.863 122.086 3.777 19395 7355 1 12 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.968 0.572 19395 7356 1 12 . 1 1 68 68 TRP CA C 68 51.631 51.631 53.958 -2.327 19395 7357 1 12 . 1 1 68 68 TRP CB C 68 30.303 30.303 33.025 -2.722 19395 7358 1 12 . 1 1 68 68 TRP H H 68 8.305 8.305 7.619 0.686 19395 7359 1 12 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.412 -0.427 19395 7360 1 12 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.041 -0.098 19395 7361 1 12 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.176 1.368 19395 7362 1 12 . 1 1 70 70 PHE N N 70 113.153 113.153 117.847 -4.694 19395 7363 1 12 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.520 0.240 19395 7364 1 12 . 1 1 70 70 PHE CA C 70 56.067 56.067 58.489 -2.422 19395 7365 1 12 . 1 1 70 70 PHE CB C 70 39.334 39.334 39.619 -0.285 19395 7366 1 12 . 1 1 70 70 PHE H H 70 7.237 7.237 8.350 -1.113 19395 7367 1 12 . 1 1 71 71 ASP N N 71 120.632 120.632 120.923 -0.291 19395 7368 1 12 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.827 -0.545 19395 7369 1 12 . 1 1 71 71 ASP CA C 71 55.907 55.907 53.611 2.296 19395 7370 1 12 . 1 1 71 71 ASP CB C 71 41.099 41.099 39.634 1.465 19395 7371 1 12 . 1 1 71 71 ASP H H 71 8.514 8.514 8.214 0.300 19395 7372 1 12 . 1 1 73 73 GLY H H 73 8.510 8.510 8.375 0.135 19395 7373 1 12 . 1 1 74 74 ALA N N 74 123.138 123.138 122.659 0.479 19395 7374 1 12 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.143 0.697 19395 7375 1 12 . 1 1 74 74 ALA CA C 74 50.106 50.106 51.581 -1.475 19395 7376 1 12 . 1 1 74 74 ALA CB C 74 20.264 20.264 17.759 2.505 19395 7377 1 12 . 1 1 74 74 ALA H H 74 7.833 7.833 7.806 0.027 19395 7378 1 12 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.478 -0.022 19395 7379 1 12 . 1 1 79 79 LYS N N 79 119.944 119.944 121.563 -1.619 19395 7380 1 12 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.349 -0.409 19395 7381 1 12 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.496 1.328 19395 7382 1 12 . 1 1 79 79 LYS CB C 79 32.310 32.310 33.280 -0.970 19395 7383 1 12 . 1 1 79 79 LYS H H 79 8.425 8.425 7.540 0.885 19395 7384 1 12 . 1 1 80 80 VAL N N 80 116.231 116.231 118.716 -2.485 19395 7385 1 12 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.714 -0.319 19395 7386 1 12 . 1 1 80 80 VAL CA C 80 64.913 64.913 64.409 0.504 19395 7387 1 12 . 1 1 80 80 VAL CB C 80 31.293 31.293 30.623 0.670 19395 7388 1 12 . 1 1 80 80 VAL H H 80 6.338 6.338 8.346 -2.008 19395 7389 1 12 . 1 1 81 81 VAL N N 81 118.082 118.082 116.323 1.759 19395 7390 1 12 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.733 -0.548 19395 7391 1 12 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.263 2.361 19395 7392 1 12 . 1 1 81 81 VAL CB C 81 31.645 31.645 31.048 0.597 19395 7393 1 12 . 1 1 81 81 VAL H H 81 7.362 7.362 7.911 -0.549 19395 7394 1 12 . 1 1 82 82 GLU N N 82 117.196 117.196 118.636 -1.440 19395 7395 1 12 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.918 0.018 19395 7396 1 12 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.449 0.045 19395 7397 1 12 . 1 1 82 82 GLU CB C 82 29.451 29.451 28.679 0.772 19395 7398 1 12 . 1 1 82 82 GLU H H 82 7.878 7.878 7.782 0.096 19395 7399 1 12 . 1 1 83 83 ASP N N 83 121.828 121.828 120.802 1.026 19395 7400 1 12 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.237 0.002 19395 7401 1 12 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.102 1.177 19395 7402 1 12 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.073 -0.924 19395 7403 1 12 . 1 1 83 83 ASP H H 83 8.156 8.156 7.801 0.355 19395 7404 1 12 . 1 1 84 84 TRP N N 84 124.374 124.374 122.146 2.228 19395 7405 1 12 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.173 0.751 19395 7406 1 12 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.650 -0.628 19395 7407 1 12 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.734 0.076 19395 7408 1 12 . 1 1 84 84 TRP H H 84 8.939 8.939 7.750 1.189 19395 7409 1 12 . 1 1 85 85 LEU N N 85 117.918 117.918 116.843 1.075 19395 7410 1 12 . 1 1 85 85 LEU HA H 85 3.760 3.760 3.895 -0.135 19395 7411 1 12 . 1 1 85 85 LEU CA C 85 57.998 57.998 58.376 -0.378 19395 7412 1 12 . 1 1 85 85 LEU CB C 85 41.329 41.329 41.519 -0.190 19395 7413 1 12 . 1 1 85 85 LEU H H 85 8.723 8.723 7.904 0.819 19395 7414 1 12 . 1 1 86 86 SER N N 86 114.182 114.182 114.548 -0.366 19395 7415 1 12 . 1 1 86 86 SER HA H 86 4.187 4.187 4.156 0.031 19395 7416 1 12 . 1 1 86 86 SER CA C 86 61.997 61.997 62.044 -0.047 19395 7417 1 12 . 1 1 86 86 SER CB C 86 62.984 62.984 63.326 -0.342 19395 7418 1 12 . 1 1 86 86 SER H H 86 8.067 8.067 8.068 -0.001 19395 7419 1 12 . 1 1 87 87 LEU N N 87 125.441 125.441 122.780 2.661 19395 7420 1 12 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.090 0.120 19395 7421 1 12 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.306 0.631 19395 7422 1 12 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.740 0.839 19395 7423 1 12 . 1 1 87 87 LEU H H 87 8.300 8.300 8.203 0.097 19395 7424 1 12 . 1 1 88 88 VAL N N 88 116.784 116.784 119.281 -2.497 19395 7425 1 12 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.633 -0.567 19395 7426 1 12 . 1 1 88 88 VAL CA C 88 66.385 66.385 67.201 -0.816 19395 7427 1 12 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.406 -0.642 19395 7428 1 12 . 1 1 88 88 VAL H H 88 8.468 8.468 7.955 0.513 19395 7429 1 12 . 1 1 89 89 LYS N N 89 118.569 118.569 118.632 -0.063 19395 7430 1 12 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.292 -0.267 19395 7431 1 12 . 1 1 89 89 LYS CA C 89 59.476 59.476 59.156 0.320 19395 7432 1 12 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.447 0.409 19395 7433 1 12 . 1 1 89 89 LYS H H 89 7.652 7.652 8.616 -0.964 19395 7434 1 12 . 1 1 90 90 ALA N N 90 119.043 119.043 121.565 -2.522 19395 7435 1 12 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.284 -0.133 19395 7436 1 12 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.913 1.131 19395 7437 1 12 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.663 -1.210 19395 7438 1 12 . 1 1 90 90 ALA H H 90 7.616 7.616 7.835 -0.219 19395 7439 1 12 . 1 1 91 91 LYS N N 91 117.654 117.654 120.182 -2.528 19395 7440 1 12 . 1 1 91 91 LYS HA H 91 3.937 3.937 4.168 -0.231 19395 7441 1 12 . 1 1 91 91 LYS CA C 91 57.754 57.754 58.885 -1.131 19395 7442 1 12 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.923 -1.760 19395 7443 1 12 . 1 1 91 91 LYS H H 91 8.658 8.658 8.657 0.001 19395 7444 1 12 . 1 1 92 92 PHE N N 92 113.471 113.471 119.295 -5.824 19395 7445 1 12 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.554 0.065 19395 7446 1 12 . 1 1 92 92 PHE CA C 92 58.595 58.595 58.917 -0.322 19395 7447 1 12 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.754 -2.070 19395 7448 1 12 . 1 1 92 92 PHE H H 92 7.472 7.472 8.381 -0.909 19395 7449 1 12 . 1 1 93 93 CYS N N 93 117.138 117.138 118.351 -1.213 19395 7450 1 12 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.614 0.749 19395 7451 1 12 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.692 2.272 19395 7452 1 12 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.139 0.339 19395 7453 1 12 . 1 1 93 93 CYS H H 93 7.562 7.562 7.560 0.002 19395 7454 1 12 . 1 1 94 94 GLU N N 94 118.594 118.594 119.630 -1.036 19395 7455 1 12 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.321 -0.194 19395 7456 1 12 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.617 1.424 19395 7457 1 12 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.204 -0.131 19395 7458 1 12 . 1 1 94 94 GLU H H 94 8.236 8.236 8.368 -0.132 19395 7459 1 12 . 1 1 95 95 ALA N N 95 121.081 121.081 123.161 -2.080 19395 7460 1 12 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.780 0.097 19395 7461 1 12 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.124 0.245 19395 7462 1 12 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.756 -1.632 19395 7463 1 12 . 1 1 95 95 ALA H H 95 7.898 7.898 7.472 0.426 19395 7464 1 12 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.405 0.418 19395 7465 1 12 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.410 0.557 19395 7466 1 12 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.503 1.053 19395 7467 1 12 . 1 1 97 97 GLY N N 97 113.478 113.478 113.126 0.352 19395 7468 1 12 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.606 0.093 19395 7469 1 12 . 1 1 97 97 GLY H H 97 9.198 9.198 8.265 0.933 19395 7470 1 12 . 1 1 98 98 SER N N 98 115.643 115.643 114.576 1.067 19395 7471 1 12 . 1 1 98 98 SER HA H 98 4.560 4.560 4.246 0.314 19395 7472 1 12 . 1 1 98 98 SER CA C 98 58.923 58.923 59.307 -0.384 19395 7473 1 12 . 1 1 98 98 SER CB C 98 64.427 64.427 64.653 -0.226 19395 7474 1 12 . 1 1 98 98 SER H H 98 8.066 8.066 7.353 0.713 19395 7475 1 12 . 1 1 99 99 CYS N N 99 115.484 115.484 117.409 -1.925 19395 7476 1 12 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.141 0.256 19395 7477 1 12 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.690 -1.903 19395 7478 1 12 . 1 1 99 99 CYS CB C 99 29.985 29.985 32.197 -2.212 19395 7479 1 12 . 1 1 99 99 CYS H H 99 7.532 7.532 7.889 -0.357 19395 7480 1 12 . 1 1 100 100 VAL N N 100 128.065 128.065 118.249 9.816 19395 7481 1 12 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.291 0.017 19395 7482 1 12 . 1 1 100 100 VAL CA C 100 61.631 61.631 60.054 1.577 19395 7483 1 12 . 1 1 100 100 VAL CB C 100 34.384 34.384 31.632 2.752 19395 7484 1 12 . 1 1 100 100 VAL H H 100 8.392 8.392 8.134 0.258 19395 7485 1 12 . 1 1 101 101 ALA N N 101 130.346 130.346 130.628 -0.282 19395 7486 1 12 . 1 1 101 101 ALA HA H 101 5.760 5.760 5.019 0.741 19395 7487 1 12 . 1 1 101 101 ALA CA C 101 50.101 50.101 51.423 -1.322 19395 7488 1 12 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.491 1.627 19395 7489 1 12 . 1 1 101 101 ALA H H 101 8.882 8.882 8.220 0.662 19395 7490 1 12 . 1 1 102 102 VAL N N 102 120.866 120.866 119.716 1.150 19395 7491 1 12 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.710 0.913 19395 7492 1 12 . 1 1 102 102 VAL CA C 102 58.795 58.795 59.685 -0.890 19395 7493 1 12 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.922 -0.782 19395 7494 1 12 . 1 1 102 102 VAL H H 102 9.359 9.359 8.935 0.424 19395 7495 1 12 . 1 1 103 103 HIS N N 103 120.019 120.019 122.228 -2.209 19395 7496 1 12 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.689 0.094 19395 7497 1 12 . 1 1 103 103 HIS CA C 103 55.292 55.292 56.820 -1.528 19395 7498 1 12 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.995 2.037 19395 7499 1 12 . 1 1 103 103 HIS H H 103 8.749 8.749 8.733 0.016 19395 7500 1 12 . 1 1 104 104 CYS N N 104 118.175 118.175 122.320 -4.145 19395 7501 1 12 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.857 -0.160 19395 7502 1 12 . 1 1 104 104 CYS CA C 104 56.265 56.265 56.816 -0.551 19395 7503 1 12 . 1 1 104 104 CYS CB C 104 33.179 33.179 31.510 1.669 19395 7504 1 12 . 1 1 104 104 CYS H H 104 8.428 8.428 8.026 0.402 19395 7505 1 12 . 1 1 105 105 VAL N N 105 125.962 125.962 122.520 3.442 19395 7506 1 12 . 1 1 105 105 VAL HA H 105 4.219 4.219 3.976 0.243 19395 7507 1 12 . 1 1 105 105 VAL CA C 105 66.483 66.483 63.242 3.241 19395 7508 1 12 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.706 -0.323 19395 7509 1 12 . 1 1 105 105 VAL H H 105 8.422 8.422 8.507 -0.085 19395 7510 1 12 . 1 1 106 106 ALA N N 106 123.180 123.180 118.697 4.483 19395 7511 1 12 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.341 0.354 19395 7512 1 12 . 1 1 106 106 ALA CA C 106 52.862 52.862 53.058 -0.196 19395 7513 1 12 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.412 0.711 19395 7514 1 12 . 1 1 106 106 ALA H H 106 9.997 9.997 8.246 1.751 19395 7515 1 12 . 1 1 107 107 GLY N N 107 109.076 109.076 106.646 2.430 19395 7516 1 12 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.719 1.900 19395 7517 1 12 . 1 1 107 107 GLY H H 107 8.019 8.019 7.831 0.188 19395 7518 1 12 . 1 1 108 108 LEU N N 108 117.413 117.413 122.708 -5.295 19395 7519 1 12 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.777 0.687 19395 7520 1 12 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.372 0.410 19395 7521 1 12 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.669 4.151 19395 7522 1 12 . 1 1 108 108 LEU H H 108 7.598 7.598 8.406 -0.808 19395 7523 1 12 . 1 1 109 109 GLY N N 109 111.143 111.143 107.109 4.034 19395 7524 1 12 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.740 -0.099 19395 7525 1 12 . 1 1 109 109 GLY H H 109 10.576 10.576 8.789 1.787 19395 7526 1 12 . 1 1 110 110 ARG N N 110 127.464 127.464 124.149 3.315 19395 7527 1 12 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.773 -0.218 19395 7528 1 12 . 1 1 110 110 ARG CA C 110 60.426 60.426 58.945 1.481 19395 7529 1 12 . 1 1 110 110 ARG CB C 110 32.183 32.183 28.782 3.401 19395 7530 1 12 . 1 1 110 110 ARG H H 110 10.234 10.234 8.387 1.847 19395 7531 1 12 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.250 -0.366 19395 7532 1 12 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.504 1.028 19395 7533 1 12 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.538 -0.628 19395 7534 1 12 . 1 1 113 113 VAL N N 113 116.720 116.720 119.654 -2.934 19395 7535 1 12 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.659 -0.099 19395 7536 1 12 . 1 1 113 113 VAL CA C 113 66.730 66.730 67.222 -0.492 19395 7537 1 12 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.343 -0.820 19395 7538 1 12 . 1 1 113 113 VAL H H 113 8.340 8.340 8.513 -0.173 19395 7539 1 12 . 1 1 114 114 LEU N N 114 119.045 119.045 119.519 -0.474 19395 7540 1 12 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.221 -0.563 19395 7541 1 12 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.264 -0.234 19395 7542 1 12 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.170 -2.371 19395 7543 1 12 . 1 1 114 114 LEU H H 114 6.990 6.990 8.562 -1.572 19395 7544 1 12 . 1 1 115 115 VAL N N 115 120.270 120.270 116.009 4.261 19395 7545 1 12 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.364 -0.321 19395 7546 1 12 . 1 1 115 115 VAL CA C 115 67.509 67.509 65.812 1.697 19395 7547 1 12 . 1 1 115 115 VAL CB C 115 30.787 30.787 30.308 0.479 19395 7548 1 12 . 1 1 115 115 VAL H H 115 7.188 7.188 7.696 -0.508 19395 7549 1 12 . 1 1 116 116 ALA N N 116 121.280 121.280 123.423 -2.143 19395 7550 1 12 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.050 -0.289 19395 7551 1 12 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.128 0.729 19395 7552 1 12 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.510 -0.642 19395 7553 1 12 . 1 1 116 116 ALA H H 116 8.649 8.649 8.334 0.315 19395 7554 1 12 . 1 1 117 117 LEU N N 117 116.557 116.557 120.303 -3.746 19395 7555 1 12 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.899 -0.131 19395 7556 1 12 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.801 0.559 19395 7557 1 12 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.887 2.180 19395 7558 1 12 . 1 1 117 117 LEU H H 117 8.048 8.048 7.504 0.544 19395 7559 1 12 . 1 1 118 118 ALA N N 118 119.916 119.916 120.115 -0.199 19395 7560 1 12 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.573 0.496 19395 7561 1 12 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.359 1.005 19395 7562 1 12 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.426 1.201 19395 7563 1 12 . 1 1 118 118 ALA H H 118 7.691 7.691 6.829 0.862 19395 7564 1 12 . 1 1 119 119 LEU N N 119 116.962 116.962 119.729 -2.767 19395 7565 1 12 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.025 -0.150 19395 7566 1 12 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.525 0.900 19395 7567 1 12 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.734 -1.949 19395 7568 1 12 . 1 1 119 119 LEU H H 119 7.988 7.988 7.636 0.352 19395 7569 1 12 . 1 1 120 120 ILE N N 120 123.209 123.209 119.222 3.987 19395 7570 1 12 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.970 0.779 19395 7571 1 12 . 1 1 120 120 ILE CA C 120 64.104 64.104 63.731 0.373 19395 7572 1 12 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.537 1.705 19395 7573 1 12 . 1 1 120 120 ILE H H 120 8.643 8.643 7.953 0.690 19395 7574 1 12 . 1 1 121 121 GLU N N 121 121.219 121.219 118.941 2.278 19395 7575 1 12 . 1 1 121 121 GLU HA H 121 4.508 4.508 3.967 0.541 19395 7576 1 12 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.080 0.059 19395 7577 1 12 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.808 0.425 19395 7578 1 12 . 1 1 121 121 GLU H H 121 8.680 8.680 7.751 0.929 19395 7579 1 12 . 1 1 122 122 SER N N 122 114.306 114.306 113.244 1.062 19395 7580 1 12 . 1 1 122 122 SER HA H 122 4.783 4.783 4.358 0.425 19395 7581 1 12 . 1 1 122 122 SER CA C 122 58.581 58.581 60.094 -1.513 19395 7582 1 12 . 1 1 122 122 SER CB C 122 64.656 64.656 63.593 1.063 19395 7583 1 12 . 1 1 122 122 SER H H 122 7.834 7.834 8.016 -0.182 19395 7584 1 12 . 1 1 123 123 GLY N N 123 108.666 108.666 107.381 1.285 19395 7585 1 12 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.452 0.628 19395 7586 1 12 . 1 1 123 123 GLY H H 123 7.902 7.902 7.858 0.044 19395 7587 1 12 . 1 1 124 124 MET N N 124 123.358 123.358 120.203 3.155 19395 7588 1 12 . 1 1 124 124 MET HA H 124 4.258 4.258 4.668 -0.410 19395 7589 1 12 . 1 1 124 124 MET CA C 124 56.698 56.698 53.229 3.469 19395 7590 1 12 . 1 1 124 124 MET CB C 124 34.104 34.104 35.902 -1.798 19395 7591 1 12 . 1 1 124 124 MET H H 124 7.970 7.970 7.511 0.459 19395 7592 1 12 . 1 1 125 125 LYS N N 125 125.848 125.848 123.412 2.436 19395 7593 1 12 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.321 -0.027 19395 7594 1 12 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.405 0.504 19395 7595 1 12 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.667 0.070 19395 7596 1 12 . 1 1 125 125 LYS H H 125 8.903 8.903 8.418 0.485 19395 7597 1 12 . 1 1 126 126 TYR N N 126 124.016 124.016 125.929 -1.913 19395 7598 1 12 . 1 1 126 126 TYR HA H 126 4.060 4.060 4.043 0.017 19395 7599 1 12 . 1 1 126 126 TYR CA C 126 61.734 61.734 61.984 -0.250 19395 7600 1 12 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.865 0.077 19395 7601 1 12 . 1 1 126 126 TYR H H 126 9.242 9.242 8.947 0.295 19395 7602 1 12 . 1 1 127 127 GLU N N 127 119.702 119.702 118.182 1.520 19395 7603 1 12 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.263 0.130 19395 7604 1 12 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.540 0.675 19395 7605 1 12 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.697 0.288 19395 7606 1 12 . 1 1 127 127 GLU H H 127 9.102 9.102 8.547 0.555 19395 7607 1 12 . 1 1 128 128 ASP N N 128 118.661 118.661 119.325 -0.664 19395 7608 1 12 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.322 0.089 19395 7609 1 12 . 1 1 128 128 ASP CA C 128 56.574 56.574 56.931 -0.357 19395 7610 1 12 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.360 -0.254 19395 7611 1 12 . 1 1 128 128 ASP H H 128 6.782 6.782 8.108 -1.326 19395 7612 1 12 . 1 1 129 129 ALA N N 129 125.068 125.068 122.036 3.032 19395 7613 1 12 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.004 0.223 19395 7614 1 12 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.236 0.176 19395 7615 1 12 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.420 -0.108 19395 7616 1 12 . 1 1 129 129 ALA H H 129 8.365 8.365 8.065 0.300 19395 7617 1 12 . 1 1 130 130 ILE N N 130 115.533 115.533 119.473 -3.940 19395 7618 1 12 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.651 -0.160 19395 7619 1 12 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.935 1.181 19395 7620 1 12 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.455 0.331 19395 7621 1 12 . 1 1 130 130 ILE H H 130 8.044 8.044 7.990 0.054 19395 7622 1 12 . 1 1 131 131 GLN N N 131 118.503 118.503 117.860 0.643 19395 7623 1 12 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.981 0.035 19395 7624 1 12 . 1 1 131 131 GLN CA C 131 58.791 58.791 58.401 0.390 19395 7625 1 12 . 1 1 131 131 GLN CB C 131 28.439 28.439 27.904 0.535 19395 7626 1 12 . 1 1 131 131 GLN H H 131 7.426 7.426 8.083 -0.657 19395 7627 1 12 . 1 1 132 132 PHE N N 132 120.679 120.679 121.438 -0.759 19395 7628 1 12 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.257 0.066 19395 7629 1 12 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.542 -0.367 19395 7630 1 12 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.072 0.778 19395 7631 1 12 . 1 1 132 132 PHE H H 132 8.416 8.416 7.798 0.618 19395 7632 1 12 . 1 1 133 133 ILE N N 133 116.466 116.466 116.136 0.330 19395 7633 1 12 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.656 -0.167 19395 7634 1 12 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.220 -0.223 19395 7635 1 12 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.758 -0.197 19395 7636 1 12 . 1 1 133 133 ILE H H 133 7.964 7.964 8.199 -0.235 19395 7637 1 12 . 1 1 134 134 ARG N N 134 119.204 119.204 119.550 -0.346 19395 7638 1 12 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.271 0.051 19395 7639 1 12 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.121 1.039 19395 7640 1 12 . 1 1 134 134 ARG CB C 134 30.212 30.212 30.767 -0.555 19395 7641 1 12 . 1 1 134 134 ARG H H 134 8.449 8.449 8.390 0.059 19395 7642 1 12 . 1 1 135 135 GLN N N 135 117.511 117.511 118.856 -1.345 19395 7643 1 12 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.085 -0.048 19395 7644 1 12 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.316 0.021 19395 7645 1 12 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.448 -0.009 19395 7646 1 12 . 1 1 135 135 GLN H H 135 7.829 7.829 8.197 -0.368 19395 7647 1 12 . 1 1 136 136 LYS N N 136 116.364 116.364 116.953 -0.589 19395 7648 1 12 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.011 0.283 19395 7649 1 12 . 1 1 136 136 LYS CA C 136 56.209 56.209 57.904 -1.695 19395 7650 1 12 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.566 0.414 19395 7651 1 12 . 1 1 136 136 LYS H H 136 7.280 7.280 7.780 -0.500 19395 7652 1 12 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.356 -0.511 19395 7653 1 12 . 1 1 140 140 ALA N N 140 121.841 121.841 121.240 0.601 19395 7654 1 12 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.044 0.312 19395 7655 1 12 . 1 1 140 140 ALA CA C 140 53.327 53.327 54.395 -1.068 19395 7656 1 12 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.122 0.452 19395 7657 1 12 . 1 1 140 140 ALA H H 140 7.553 7.553 8.186 -0.633 19395 7658 1 12 . 1 1 141 141 ILE N N 141 113.228 113.228 115.134 -1.906 19395 7659 1 12 . 1 1 141 141 ILE HA H 141 3.338 3.338 3.981 -0.643 19395 7660 1 12 . 1 1 141 141 ILE CA C 141 65.889 65.889 61.985 3.904 19395 7661 1 12 . 1 1 141 141 ILE CB C 141 34.188 34.188 39.010 -4.822 19395 7662 1 12 . 1 1 141 141 ILE H H 141 8.744 8.744 8.090 0.654 19395 7663 1 12 . 1 1 142 142 ASN N N 142 126.808 126.808 116.099 10.709 19395 7664 1 12 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.491 0.232 19395 7665 1 12 . 1 1 142 142 ASN CA C 142 52.083 52.083 54.000 -1.917 19395 7666 1 12 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.328 -0.397 19395 7667 1 12 . 1 1 142 142 ASN H H 142 8.538 8.538 7.863 0.675 19395 7668 1 12 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.937 0.230 19395 7669 1 12 . 1 1 145 145 GLN N N 145 120.931 120.931 117.747 3.184 19395 7670 1 12 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.150 -0.415 19395 7671 1 12 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.272 0.563 19395 7672 1 12 . 1 1 145 145 GLN CB C 145 27.803 27.803 28.724 -0.921 19395 7673 1 12 . 1 1 145 145 GLN H H 145 8.737 8.737 8.069 0.668 19395 7674 1 12 . 1 1 146 146 LEU N N 146 122.433 122.433 121.193 1.240 19395 7675 1 12 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.197 -0.222 19395 7676 1 12 . 1 1 146 146 LEU CA C 146 59.013 59.013 59.170 -0.157 19395 7677 1 12 . 1 1 146 146 LEU CB C 146 41.796 41.796 42.012 -0.216 19395 7678 1 12 . 1 1 146 146 LEU H H 146 8.917 8.917 8.391 0.526 19395 7679 1 12 . 1 1 147 147 THR N N 147 115.378 115.378 112.659 2.719 19395 7680 1 12 . 1 1 147 147 THR HA H 147 3.936 3.936 3.929 0.007 19395 7681 1 12 . 1 1 147 147 THR CA C 147 66.512 66.512 65.531 0.981 19395 7682 1 12 . 1 1 147 147 THR CB C 147 68.865 68.865 68.373 0.492 19395 7683 1 12 . 1 1 147 147 THR H H 147 7.948 7.948 8.587 -0.639 19395 7684 1 12 . 1 1 148 148 TYR N N 148 120.402 120.402 123.398 -2.996 19395 7685 1 12 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.127 -0.045 19395 7686 1 12 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.251 -0.056 19395 7687 1 12 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.154 -0.177 19395 7688 1 12 . 1 1 148 148 TYR H H 148 7.366 7.366 7.712 -0.346 19395 7689 1 12 . 1 1 149 149 LEU N N 149 119.957 119.957 118.590 1.367 19395 7690 1 12 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.439 0.289 19395 7691 1 12 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.267 1.274 19395 7692 1 12 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.387 2.176 19395 7693 1 12 . 1 1 149 149 LEU H H 149 7.968 7.968 7.516 0.452 19395 7694 1 12 . 1 1 150 150 GLU N N 150 120.132 120.132 117.981 2.151 19395 7695 1 12 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.509 -1.126 19395 7696 1 12 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.633 -0.171 19395 7697 1 12 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.436 0.145 19395 7698 1 12 . 1 1 150 150 GLU H H 150 8.305 8.305 7.178 1.127 19395 7699 1 12 . 1 1 151 151 LYS N N 151 114.600 114.600 115.729 -1.129 19395 7700 1 12 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.235 -0.164 19395 7701 1 12 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.605 -0.973 19395 7702 1 12 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.603 -0.656 19395 7703 1 12 . 1 1 151 151 LYS H H 151 7.106 7.106 7.400 -0.294 19395 7704 1 12 . 1 1 152 152 TYR N N 152 123.664 123.664 121.324 2.340 19395 7705 1 12 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.118 -0.343 19395 7706 1 12 . 1 1 152 152 TYR CA C 152 59.659 59.659 58.785 0.874 19395 7707 1 12 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.885 -0.640 19395 7708 1 12 . 1 1 152 152 TYR H H 152 7.187 7.187 7.288 -0.101 19395 7709 1 12 . 1 1 153 153 ARG N N 153 130.321 130.321 126.608 3.713 19395 7710 1 12 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.556 0.209 19395 7711 1 12 . 1 1 153 153 ARG CA C 153 51.513 51.513 52.024 -0.511 19395 7712 1 12 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.169 -0.989 19395 7713 1 12 . 1 1 153 153 ARG H H 153 7.760 7.760 8.009 -0.249 19395 7714 1 12 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.797 -0.157 19395 7715 1 12 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.761 -0.707 19395 7716 1 12 . 1 1 154 154 PRO CB C 154 33.603 33.603 31.942 1.661 19395 7717 1 12 . 1 1 155 155 LYS N N 155 122.066 122.066 122.294 -0.228 19395 7718 1 12 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.102 0.336 19395 7719 1 12 . 1 1 155 155 LYS CA C 155 55.923 55.923 57.340 -1.417 19395 7720 1 12 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.335 1.108 19395 7721 1 12 . 1 1 155 155 LYS H H 155 9.586 9.586 8.575 1.011 19395 7722 1 12 . 1 1 156 156 GLN N N 156 117.702 117.702 113.691 4.011 19395 7723 1 12 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.033 0.333 19395 7724 1 12 . 1 1 156 156 GLN CA C 156 56.549 56.549 57.002 -0.453 19395 7725 1 12 . 1 1 156 156 GLN CB C 156 26.728 26.728 26.183 0.545 19395 7726 1 12 . 1 1 156 156 GLN H H 156 8.334 8.334 7.903 0.431 19395 7727 1 12 . 1 1 157 157 ARG N N 157 117.466 117.466 118.655 -1.189 19395 7728 1 12 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.278 -0.123 19395 7729 1 12 . 1 1 157 157 ARG CA C 157 58.022 58.022 58.330 -0.308 19395 7730 1 12 . 1 1 157 157 ARG CB C 157 30.769 30.769 31.320 -0.551 19395 7731 1 12 . 1 1 157 157 ARG H H 157 8.983 8.983 8.235 0.748 19395 7732 1 12 . 1 1 158 158 LEU N N 158 117.973 117.973 120.579 -2.606 19395 7733 1 12 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.626 0.003 19395 7734 1 12 . 1 1 158 158 LEU CA C 158 53.469 53.469 54.804 -1.335 19395 7735 1 12 . 1 1 158 158 LEU CB C 158 41.505 41.505 41.554 -0.049 19395 7736 1 12 . 1 1 158 158 LEU H H 158 8.123 8.123 7.767 0.356 19395 7737 1 12 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.216 -0.103 19395 7738 1 12 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.198 2.289 19395 7739 1 12 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.368 -1.194 19395 7740 1 12 . 1 1 161 161 LYS H H 161 7.856 7.856 7.729 0.127 19395 7741 1 13 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.470 -0.122 19395 7742 1 13 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.814 -0.276 19395 7743 1 13 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.476 -0.684 19395 7744 1 13 . 1 1 8 8 ALA N N 8 126.708 126.708 127.978 -1.270 19395 7745 1 13 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.863 -0.252 19395 7746 1 13 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.029 1.279 19395 7747 1 13 . 1 1 8 8 ALA CB C 8 18.205 18.205 18.887 -0.682 19395 7748 1 13 . 1 1 8 8 ALA H H 8 8.399 8.399 8.286 0.113 19395 7749 1 13 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.336 0.315 19395 7750 1 13 . 1 1 9 9 PRO CA C 9 62.583 62.583 61.945 0.638 19395 7751 1 13 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.380 0.131 19395 7752 1 13 . 1 1 10 10 VAL N N 10 118.581 118.581 119.466 -0.885 19395 7753 1 13 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.395 -0.094 19395 7754 1 13 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.176 -0.343 19395 7755 1 13 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.839 -0.162 19395 7756 1 13 . 1 1 10 10 VAL H H 10 8.025 8.025 8.071 -0.046 19395 7757 1 13 . 1 1 11 11 GLU N N 11 129.673 129.673 129.378 0.295 19395 7758 1 13 . 1 1 11 11 GLU HA H 11 5.085 5.085 4.987 0.098 19395 7759 1 13 . 1 1 11 11 GLU CA C 11 54.747 54.747 55.134 -0.387 19395 7760 1 13 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.186 0.943 19395 7761 1 13 . 1 1 11 11 GLU H H 11 8.723 8.723 8.806 -0.084 19395 7762 1 13 . 1 1 12 12 VAL N N 12 127.093 127.093 127.969 -0.876 19395 7763 1 13 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.519 -0.236 19395 7764 1 13 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.171 1.425 19395 7765 1 13 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.301 1.245 19395 7766 1 13 . 1 1 12 12 VAL H H 12 9.247 9.247 8.545 0.702 19395 7767 1 13 . 1 1 13 13 SER N N 13 123.385 123.385 124.857 -1.472 19395 7768 1 13 . 1 1 13 13 SER HA H 13 5.302 5.302 4.989 0.313 19395 7769 1 13 . 1 1 13 13 SER CA C 13 56.409 56.409 57.895 -1.486 19395 7770 1 13 . 1 1 13 13 SER CB C 13 64.981 64.981 63.975 1.006 19395 7771 1 13 . 1 1 13 13 SER H H 13 9.001 9.001 8.589 0.412 19395 7772 1 13 . 1 1 14 14 TYR N N 14 124.413 124.413 126.902 -2.489 19395 7773 1 13 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.811 -0.274 19395 7774 1 13 . 1 1 14 14 TYR CA C 14 58.233 58.233 56.989 1.244 19395 7775 1 13 . 1 1 14 14 TYR CB C 14 41.579 41.579 40.584 0.995 19395 7776 1 13 . 1 1 14 14 TYR H H 14 8.347 8.347 8.942 -0.595 19395 7777 1 13 . 1 1 15 15 LYS N N 15 125.130 125.130 119.404 5.726 19395 7778 1 13 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.908 -0.509 19395 7779 1 13 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.458 -0.084 19395 7780 1 13 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.090 -2.196 19395 7781 1 13 . 1 1 15 15 LYS H H 15 8.820 8.820 8.404 0.416 19395 7782 1 13 . 1 1 16 16 HIS N N 16 121.278 121.278 116.308 4.970 19395 7783 1 13 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.657 -0.207 19395 7784 1 13 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.295 1.443 19395 7785 1 13 . 1 1 16 16 HIS CB C 16 30.229 30.229 30.860 -0.631 19395 7786 1 13 . 1 1 16 16 HIS H H 16 8.784 8.784 8.051 0.733 19395 7787 1 13 . 1 1 17 17 MET N N 17 120.113 120.113 116.733 3.380 19395 7788 1 13 . 1 1 17 17 MET HA H 17 2.326 2.326 4.806 -2.479 19395 7789 1 13 . 1 1 17 17 MET CA C 17 54.714 54.714 54.477 0.237 19395 7790 1 13 . 1 1 17 17 MET CB C 17 34.848 34.848 35.991 -1.143 19395 7791 1 13 . 1 1 17 17 MET H H 17 8.106 8.106 7.860 0.246 19395 7792 1 13 . 1 1 18 18 ARG N N 18 121.252 121.252 120.744 0.508 19395 7793 1 13 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.353 -0.514 19395 7794 1 13 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.531 0.263 19395 7795 1 13 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.391 0.425 19395 7796 1 13 . 1 1 18 18 ARG H H 18 5.904 5.904 8.623 -2.719 19395 7797 1 13 . 1 1 19 19 PHE N N 19 121.195 121.195 123.126 -1.931 19395 7798 1 13 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.165 0.835 19395 7799 1 13 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.554 0.064 19395 7800 1 13 . 1 1 19 19 PHE CB C 19 43.616 43.616 42.964 0.652 19395 7801 1 13 . 1 1 19 19 PHE H H 19 9.178 9.178 9.236 -0.058 19395 7802 1 13 . 1 1 20 20 LEU N N 20 123.804 123.804 121.819 1.985 19395 7803 1 13 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.098 0.012 19395 7804 1 13 . 1 1 20 20 LEU CA C 20 52.568 52.568 54.151 -1.583 19395 7805 1 13 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.935 1.948 19395 7806 1 13 . 1 1 20 20 LEU H H 20 8.601 8.601 9.402 -0.801 19395 7807 1 13 . 1 1 21 21 ILE N N 21 126.661 126.661 122.854 3.807 19395 7808 1 13 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.237 -0.106 19395 7809 1 13 . 1 1 21 21 ILE CA C 21 60.828 60.828 59.069 1.758 19395 7810 1 13 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.587 0.622 19395 7811 1 13 . 1 1 21 21 ILE H H 21 9.323 9.323 9.055 0.268 19395 7812 1 13 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.433 -0.104 19395 7813 1 13 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.102 -1.284 19395 7814 1 13 . 1 1 25 25 PRO CB C 25 32.524 32.524 32.650 -0.126 19395 7815 1 13 . 1 1 26 26 THR N N 26 131.812 131.812 112.574 19.238 19395 7816 1 13 . 1 1 26 26 THR H H 26 6.781 6.781 8.110 -1.329 19395 7817 1 13 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.134 0.210 19395 7818 1 13 . 1 1 28 28 ALA CA C 28 54.021 54.021 54.284 -0.263 19395 7819 1 13 . 1 1 28 28 ALA CB C 28 19.183 19.183 18.662 0.521 19395 7820 1 13 . 1 1 29 29 THR N N 29 104.375 104.375 109.535 -5.160 19395 7821 1 13 . 1 1 29 29 THR HA H 29 4.847 4.847 4.436 0.411 19395 7822 1 13 . 1 1 29 29 THR CA C 29 60.370 60.370 61.329 -0.959 19395 7823 1 13 . 1 1 29 29 THR CB C 29 69.135 69.135 70.374 -1.239 19395 7824 1 13 . 1 1 29 29 THR H H 29 7.642 7.642 7.577 0.065 19395 7825 1 13 . 1 1 30 30 LEU N N 30 124.383 124.383 121.472 2.911 19395 7826 1 13 . 1 1 30 30 LEU HA H 30 4.013 4.013 3.970 0.043 19395 7827 1 13 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.496 0.215 19395 7828 1 13 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.378 1.976 19395 7829 1 13 . 1 1 30 30 LEU H H 30 7.356 7.356 7.731 -0.375 19395 7830 1 13 . 1 1 31 31 SER N N 31 111.792 111.792 115.373 -3.581 19395 7831 1 13 . 1 1 31 31 SER H H 31 6.915 6.915 8.412 -1.497 19395 7832 1 13 . 1 1 32 32 THR N N 32 116.374 116.374 117.478 -1.104 19395 7833 1 13 . 1 1 32 32 THR HA H 32 4.109 4.109 4.060 0.049 19395 7834 1 13 . 1 1 32 32 THR CA C 32 65.142 65.142 66.168 -1.026 19395 7835 1 13 . 1 1 32 32 THR CB C 32 68.628 68.628 68.559 0.069 19395 7836 1 13 . 1 1 32 32 THR H H 32 7.589 7.589 7.989 -0.400 19395 7837 1 13 . 1 1 33 33 PHE N N 33 124.790 124.790 123.524 1.266 19395 7838 1 13 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.243 0.232 19395 7839 1 13 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.651 0.399 19395 7840 1 13 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.411 1.428 19395 7841 1 13 . 1 1 33 33 PHE H H 33 7.644 7.644 7.692 -0.048 19395 7842 1 13 . 1 1 34 34 ILE N N 34 117.776 117.776 118.934 -1.158 19395 7843 1 13 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.016 0.331 19395 7844 1 13 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.314 1.708 19395 7845 1 13 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.487 -5.841 19395 7846 1 13 . 1 1 34 34 ILE H H 34 8.535 8.535 8.637 -0.102 19395 7847 1 13 . 1 1 35 35 GLU N N 35 119.202 119.202 118.796 0.406 19395 7848 1 13 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.907 0.020 19395 7849 1 13 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.627 0.119 19395 7850 1 13 . 1 1 35 35 GLU CB C 35 29.375 29.375 29.004 0.371 19395 7851 1 13 . 1 1 35 35 GLU H H 35 7.512 7.512 7.807 -0.295 19395 7852 1 13 . 1 1 36 36 ASP N N 36 121.117 121.117 120.797 0.320 19395 7853 1 13 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.526 0.028 19395 7854 1 13 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.133 0.805 19395 7855 1 13 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.804 -0.685 19395 7856 1 13 . 1 1 36 36 ASP H H 36 8.049 8.049 7.932 0.117 19395 7857 1 13 . 1 1 37 37 LEU N N 37 119.257 119.257 116.634 2.623 19395 7858 1 13 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.264 -0.511 19395 7859 1 13 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.619 0.884 19395 7860 1 13 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.213 -1.253 19395 7861 1 13 . 1 1 37 37 LEU H H 37 8.016 8.016 7.539 0.477 19395 7862 1 13 . 1 1 38 38 LYS N N 38 117.743 117.743 119.584 -1.841 19395 7863 1 13 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.180 -0.082 19395 7864 1 13 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.152 0.152 19395 7865 1 13 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.945 -0.677 19395 7866 1 13 . 1 1 38 38 LYS H H 38 8.336 8.336 8.046 0.290 19395 7867 1 13 . 1 1 39 39 LYS N N 39 122.164 122.164 118.191 3.973 19395 7868 1 13 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.089 0.067 19395 7869 1 13 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.854 0.579 19395 7870 1 13 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.094 0.316 19395 7871 1 13 . 1 1 39 39 LYS H H 39 8.113 8.113 8.133 -0.020 19395 7872 1 13 . 1 1 40 40 TYR N N 40 114.347 114.347 118.756 -4.409 19395 7873 1 13 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.326 0.069 19395 7874 1 13 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.613 0.037 19395 7875 1 13 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.384 1.312 19395 7876 1 13 . 1 1 40 40 TYR H H 40 7.626 7.626 7.906 -0.280 19395 7877 1 13 . 1 1 41 41 GLY N N 41 109.921 109.921 105.115 4.806 19395 7878 1 13 . 1 1 41 41 GLY CA C 41 46.766 46.766 45.104 1.662 19395 7879 1 13 . 1 1 41 41 GLY H H 41 7.878 7.878 7.407 0.471 19395 7880 1 13 . 1 1 42 42 ALA N N 42 123.757 123.757 122.996 0.761 19395 7881 1 13 . 1 1 42 42 ALA HA H 42 5.158 5.158 5.078 0.080 19395 7882 1 13 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.739 0.399 19395 7883 1 13 . 1 1 42 42 ALA CB C 42 19.909 19.909 21.093 -1.184 19395 7884 1 13 . 1 1 42 42 ALA H H 42 8.544 8.544 8.217 0.327 19395 7885 1 13 . 1 1 43 43 THR N N 43 109.574 109.574 114.915 -5.341 19395 7886 1 13 . 1 1 43 43 THR HA H 43 4.479 4.479 4.427 0.052 19395 7887 1 13 . 1 1 43 43 THR CA C 43 61.144 61.144 61.733 -0.589 19395 7888 1 13 . 1 1 43 43 THR CB C 43 69.180 69.180 68.131 1.049 19395 7889 1 13 . 1 1 43 43 THR H H 43 7.969 7.969 8.286 -0.317 19395 7890 1 13 . 1 1 44 44 THR N N 44 118.101 118.101 116.651 1.450 19395 7891 1 13 . 1 1 44 44 THR HA H 44 5.226 5.226 5.057 0.169 19395 7892 1 13 . 1 1 44 44 THR CA C 44 62.061 62.061 61.098 0.963 19395 7893 1 13 . 1 1 44 44 THR CB C 44 72.595 72.595 71.857 0.738 19395 7894 1 13 . 1 1 44 44 THR H H 44 7.458 7.458 7.501 -0.043 19395 7895 1 13 . 1 1 45 45 VAL N N 45 127.571 127.571 124.247 3.324 19395 7896 1 13 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.495 0.207 19395 7897 1 13 . 1 1 45 45 VAL CA C 45 60.504 60.504 61.039 -0.535 19395 7898 1 13 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.906 2.276 19395 7899 1 13 . 1 1 45 45 VAL H H 45 9.398 9.398 9.089 0.309 19395 7900 1 13 . 1 1 46 46 VAL N N 46 129.011 129.011 120.818 8.193 19395 7901 1 13 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.388 -0.058 19395 7902 1 13 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.696 -1.179 19395 7903 1 13 . 1 1 46 46 VAL CB C 46 32.232 32.232 30.220 2.012 19395 7904 1 13 . 1 1 46 46 VAL H H 46 9.342 9.342 9.032 0.310 19395 7905 1 13 . 1 1 47 47 ARG N N 47 129.852 129.852 119.823 10.029 19395 7906 1 13 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.269 0.026 19395 7907 1 13 . 1 1 47 47 ARG CA C 47 56.019 56.019 56.936 -0.917 19395 7908 1 13 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.195 0.622 19395 7909 1 13 . 1 1 47 47 ARG H H 47 9.037 9.037 8.018 1.019 19395 7910 1 13 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.828 -0.894 19395 7911 1 13 . 1 1 49 49 CYS CA C 49 55.688 55.688 56.880 -1.192 19395 7912 1 13 . 1 1 49 49 CYS CB C 49 41.121 41.121 29.377 11.744 19395 7913 1 13 . 1 1 50 50 GLU N N 50 114.931 114.931 121.867 -6.936 19395 7914 1 13 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.365 -0.279 19395 7915 1 13 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.334 -0.034 19395 7916 1 13 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.811 1.634 19395 7917 1 13 . 1 1 50 50 GLU H H 50 8.669 8.669 8.553 0.116 19395 7918 1 13 . 1 1 51 51 VAL N N 51 122.453 122.453 117.235 5.218 19395 7919 1 13 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.244 -0.823 19395 7920 1 13 . 1 1 51 51 VAL CA C 51 64.120 64.120 63.503 0.617 19395 7921 1 13 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.482 -0.452 19395 7922 1 13 . 1 1 51 51 VAL H H 51 8.356 8.356 7.913 0.443 19395 7923 1 13 . 1 1 52 52 THR N N 52 118.382 118.382 115.843 2.539 19395 7924 1 13 . 1 1 52 52 THR HA H 52 4.525 4.525 4.443 0.082 19395 7925 1 13 . 1 1 52 52 THR CA C 52 61.197 61.197 62.100 -0.903 19395 7926 1 13 . 1 1 52 52 THR CB C 52 69.429 69.429 68.976 0.453 19395 7927 1 13 . 1 1 52 52 THR H H 52 8.936 8.936 8.494 0.442 19395 7928 1 13 . 1 1 53 53 TYR N N 53 116.747 116.747 119.913 -3.166 19395 7929 1 13 . 1 1 53 53 TYR HA H 53 4.762 4.762 5.084 -0.322 19395 7930 1 13 . 1 1 53 53 TYR CA C 53 55.653 55.653 56.105 -0.452 19395 7931 1 13 . 1 1 53 53 TYR CB C 53 39.833 39.833 39.061 0.772 19395 7932 1 13 . 1 1 53 53 TYR H H 53 7.040 7.040 7.786 -0.746 19395 7933 1 13 . 1 1 54 54 ASP N N 54 123.720 123.720 122.852 0.868 19395 7934 1 13 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.806 -0.298 19395 7935 1 13 . 1 1 54 54 ASP CA C 54 53.571 53.571 53.198 0.373 19395 7936 1 13 . 1 1 54 54 ASP CB C 54 41.364 41.364 42.979 -1.615 19395 7937 1 13 . 1 1 54 54 ASP H H 54 9.280 9.280 8.665 0.615 19395 7938 1 13 . 1 1 55 55 LYS N N 55 121.455 121.455 123.412 -1.957 19395 7939 1 13 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.449 0.070 19395 7940 1 13 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.893 0.051 19395 7941 1 13 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.493 1.447 19395 7942 1 13 . 1 1 55 55 LYS H H 55 8.497 8.497 8.484 0.013 19395 7943 1 13 . 1 1 56 56 THR N N 56 120.743 120.743 118.152 2.591 19395 7944 1 13 . 1 1 56 56 THR HA H 56 4.120 4.120 4.655 -0.535 19395 7945 1 13 . 1 1 56 56 THR CA C 56 68.652 68.652 63.048 5.604 19395 7946 1 13 . 1 1 56 56 THR CB C 56 66.508 66.508 68.530 -2.022 19395 7947 1 13 . 1 1 56 56 THR H H 56 8.701 8.701 8.488 0.213 19395 7948 1 13 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.534 -0.243 19395 7949 1 13 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.539 0.294 19395 7950 1 13 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.181 0.209 19395 7951 1 13 . 1 1 58 58 LEU N N 58 116.313 116.313 117.075 -0.762 19395 7952 1 13 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.190 -0.136 19395 7953 1 13 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.515 1.627 19395 7954 1 13 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.406 -0.052 19395 7955 1 13 . 1 1 58 58 LEU H H 58 7.170 7.170 8.194 -1.024 19395 7956 1 13 . 1 1 59 59 GLU N N 59 120.470 120.470 120.241 0.229 19395 7957 1 13 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.068 0.323 19395 7958 1 13 . 1 1 59 59 GLU CA C 59 59.104 59.104 59.354 -0.250 19395 7959 1 13 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.498 -0.172 19395 7960 1 13 . 1 1 59 59 GLU H H 59 7.794 7.794 8.747 -0.953 19395 7961 1 13 . 1 1 60 60 LYS N N 60 119.911 119.911 118.773 1.138 19395 7962 1 13 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.261 -0.153 19395 7963 1 13 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.367 1.188 19395 7964 1 13 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.115 -0.052 19395 7965 1 13 . 1 1 60 60 LYS H H 60 8.246 8.246 7.863 0.383 19395 7966 1 13 . 1 1 61 61 ASP N N 61 119.142 119.142 117.638 1.504 19395 7967 1 13 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.697 0.273 19395 7968 1 13 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.264 -0.485 19395 7969 1 13 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.770 1.117 19395 7970 1 13 . 1 1 61 61 ASP H H 61 7.235 7.235 7.612 -0.377 19395 7971 1 13 . 1 1 62 62 GLY N N 62 105.820 105.820 107.677 -1.857 19395 7972 1 13 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.933 0.109 19395 7973 1 13 . 1 1 62 62 GLY H H 62 7.742 7.742 7.537 0.205 19395 7974 1 13 . 1 1 63 63 ILE N N 63 123.074 123.074 119.667 3.407 19395 7975 1 13 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.108 0.230 19395 7976 1 13 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.628 -1.098 19395 7977 1 13 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.384 -0.866 19395 7978 1 13 . 1 1 63 63 ILE H H 63 7.870 7.870 7.720 0.150 19395 7979 1 13 . 1 1 64 64 THR N N 64 123.510 123.510 122.876 0.634 19395 7980 1 13 . 1 1 64 64 THR HA H 64 4.316 4.316 4.360 -0.044 19395 7981 1 13 . 1 1 64 64 THR CA C 64 63.015 63.015 62.362 0.653 19395 7982 1 13 . 1 1 64 64 THR CB C 64 70.376 70.376 69.071 1.305 19395 7983 1 13 . 1 1 64 64 THR H H 64 8.200 8.200 8.786 -0.586 19395 7984 1 13 . 1 1 65 65 VAL N N 65 128.299 128.299 127.071 1.228 19395 7985 1 13 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.088 0.960 19395 7986 1 13 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.382 -1.335 19395 7987 1 13 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.127 0.990 19395 7988 1 13 . 1 1 65 65 VAL H H 65 8.919 8.919 8.697 0.222 19395 7989 1 13 . 1 1 66 66 VAL N N 66 129.962 129.962 129.485 0.477 19395 7990 1 13 . 1 1 66 66 VAL HA H 66 3.927 3.927 4.117 -0.190 19395 7991 1 13 . 1 1 66 66 VAL CA C 66 60.683 60.683 60.182 0.501 19395 7992 1 13 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.180 2.439 19395 7993 1 13 . 1 1 66 66 VAL H H 66 9.145 9.145 8.045 1.100 19395 7994 1 13 . 1 1 67 67 ASP N N 67 126.437 126.437 123.826 2.611 19395 7995 1 13 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.891 0.428 19395 7996 1 13 . 1 1 67 67 ASP CA C 67 54.170 54.170 51.857 2.313 19395 7997 1 13 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.199 1.872 19395 7998 1 13 . 1 1 67 67 ASP H H 67 8.099 8.099 7.248 0.851 19395 7999 1 13 . 1 1 68 68 TRP N N 68 125.863 125.863 121.519 4.344 19395 8000 1 13 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.847 0.693 19395 8001 1 13 . 1 1 68 68 TRP CA C 68 51.631 51.631 54.234 -2.603 19395 8002 1 13 . 1 1 68 68 TRP CB C 68 30.303 30.303 32.416 -2.113 19395 8003 1 13 . 1 1 68 68 TRP H H 68 8.305 8.305 7.682 0.623 19395 8004 1 13 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.748 -0.763 19395 8005 1 13 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.208 -0.265 19395 8006 1 13 . 1 1 69 69 PRO CB C 69 31.544 31.544 31.765 -0.221 19395 8007 1 13 . 1 1 70 70 PHE N N 70 113.153 113.153 117.880 -4.727 19395 8008 1 13 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.376 0.384 19395 8009 1 13 . 1 1 70 70 PHE CA C 70 56.067 56.067 58.964 -2.897 19395 8010 1 13 . 1 1 70 70 PHE CB C 70 39.334 39.334 38.761 0.573 19395 8011 1 13 . 1 1 70 70 PHE H H 70 7.237 7.237 8.223 -0.986 19395 8012 1 13 . 1 1 71 71 ASP N N 71 120.632 120.632 119.160 1.472 19395 8013 1 13 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.946 -0.664 19395 8014 1 13 . 1 1 71 71 ASP CA C 71 55.907 55.907 53.422 2.485 19395 8015 1 13 . 1 1 71 71 ASP CB C 71 41.099 41.099 41.057 0.042 19395 8016 1 13 . 1 1 71 71 ASP H H 71 8.514 8.514 7.698 0.816 19395 8017 1 13 . 1 1 73 73 GLY H H 73 8.510 8.510 7.795 0.715 19395 8018 1 13 . 1 1 74 74 ALA N N 74 123.138 123.138 126.231 -3.093 19395 8019 1 13 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.685 0.155 19395 8020 1 13 . 1 1 74 74 ALA CA C 74 50.106 50.106 49.085 1.021 19395 8021 1 13 . 1 1 74 74 ALA CB C 74 20.264 20.264 19.429 0.835 19395 8022 1 13 . 1 1 74 74 ALA H H 74 7.833 7.833 8.268 -0.435 19395 8023 1 13 . 1 1 75 75 PRO CB C 75 31.456 31.456 30.822 0.634 19395 8024 1 13 . 1 1 79 79 LYS N N 79 119.944 119.944 118.717 1.227 19395 8025 1 13 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.369 -0.429 19395 8026 1 13 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.368 1.456 19395 8027 1 13 . 1 1 79 79 LYS CB C 79 32.310 32.310 33.123 -0.813 19395 8028 1 13 . 1 1 79 79 LYS H H 79 8.425 8.425 7.295 1.130 19395 8029 1 13 . 1 1 80 80 VAL N N 80 116.231 116.231 120.210 -3.979 19395 8030 1 13 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.559 -0.164 19395 8031 1 13 . 1 1 80 80 VAL CA C 80 64.913 64.913 65.183 -0.270 19395 8032 1 13 . 1 1 80 80 VAL CB C 80 31.293 31.293 30.585 0.708 19395 8033 1 13 . 1 1 80 80 VAL H H 80 6.338 6.338 7.983 -1.645 19395 8034 1 13 . 1 1 81 81 VAL N N 81 118.082 118.082 117.865 0.217 19395 8035 1 13 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.703 -0.518 19395 8036 1 13 . 1 1 81 81 VAL CA C 81 68.624 68.624 65.437 3.187 19395 8037 1 13 . 1 1 81 81 VAL CB C 81 31.645 31.645 30.500 1.145 19395 8038 1 13 . 1 1 81 81 VAL H H 81 7.362 7.362 7.739 -0.377 19395 8039 1 13 . 1 1 82 82 GLU N N 82 117.196 117.196 119.356 -2.160 19395 8040 1 13 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.947 -0.011 19395 8041 1 13 . 1 1 82 82 GLU CA C 82 59.494 59.494 60.001 -0.507 19395 8042 1 13 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.110 0.341 19395 8043 1 13 . 1 1 82 82 GLU H H 82 7.878 7.878 7.734 0.144 19395 8044 1 13 . 1 1 83 83 ASP N N 83 121.828 121.828 120.152 1.676 19395 8045 1 13 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.286 -0.047 19395 8046 1 13 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.348 0.931 19395 8047 1 13 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.529 -1.380 19395 8048 1 13 . 1 1 83 83 ASP H H 83 8.156 8.156 7.863 0.293 19395 8049 1 13 . 1 1 84 84 TRP N N 84 124.374 124.374 121.821 2.553 19395 8050 1 13 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.221 0.703 19395 8051 1 13 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.858 -0.836 19395 8052 1 13 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.772 0.038 19395 8053 1 13 . 1 1 84 84 TRP H H 84 8.939 8.939 7.718 1.221 19395 8054 1 13 . 1 1 85 85 LEU N N 85 117.918 117.918 116.898 1.020 19395 8055 1 13 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.100 -0.340 19395 8056 1 13 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.612 0.386 19395 8057 1 13 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.577 0.752 19395 8058 1 13 . 1 1 85 85 LEU H H 85 8.723 8.723 7.987 0.736 19395 8059 1 13 . 1 1 86 86 SER N N 86 114.182 114.182 115.296 -1.114 19395 8060 1 13 . 1 1 86 86 SER HA H 86 4.187 4.187 4.131 0.056 19395 8061 1 13 . 1 1 86 86 SER CA C 86 61.997 61.997 61.700 0.297 19395 8062 1 13 . 1 1 86 86 SER CB C 86 62.984 62.984 63.237 -0.253 19395 8063 1 13 . 1 1 86 86 SER H H 86 8.067 8.067 8.071 -0.004 19395 8064 1 13 . 1 1 87 87 LEU N N 87 125.441 125.441 122.798 2.643 19395 8065 1 13 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.130 0.080 19395 8066 1 13 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.175 0.762 19395 8067 1 13 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.577 1.002 19395 8068 1 13 . 1 1 87 87 LEU H H 87 8.300 8.300 8.253 0.047 19395 8069 1 13 . 1 1 88 88 VAL N N 88 116.784 116.784 115.921 0.863 19395 8070 1 13 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.691 -0.625 19395 8071 1 13 . 1 1 88 88 VAL CA C 88 66.385 66.385 67.016 -0.631 19395 8072 1 13 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.454 -0.690 19395 8073 1 13 . 1 1 88 88 VAL H H 88 8.468 8.468 7.803 0.665 19395 8074 1 13 . 1 1 89 89 LYS N N 89 118.569 118.569 120.112 -1.543 19395 8075 1 13 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.312 -0.287 19395 8076 1 13 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.912 0.564 19395 8077 1 13 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.464 0.392 19395 8078 1 13 . 1 1 89 89 LYS H H 89 7.652 7.652 8.515 -0.863 19395 8079 1 13 . 1 1 90 90 ALA N N 90 119.043 119.043 121.449 -2.406 19395 8080 1 13 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.359 -0.208 19395 8081 1 13 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.925 1.120 19395 8082 1 13 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.862 -1.408 19395 8083 1 13 . 1 1 90 90 ALA H H 90 7.616 7.616 8.069 -0.453 19395 8084 1 13 . 1 1 91 91 LYS N N 91 117.654 117.654 120.226 -2.572 19395 8085 1 13 . 1 1 91 91 LYS HA H 91 3.937 3.937 4.026 -0.089 19395 8086 1 13 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.098 -1.344 19395 8087 1 13 . 1 1 91 91 LYS CB C 91 30.163 30.163 32.115 -1.952 19395 8088 1 13 . 1 1 91 91 LYS H H 91 8.658 8.658 8.649 0.009 19395 8089 1 13 . 1 1 92 92 PHE N N 92 113.471 113.471 119.819 -6.348 19395 8090 1 13 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.383 0.236 19395 8091 1 13 . 1 1 92 92 PHE CA C 92 58.595 58.595 60.047 -1.452 19395 8092 1 13 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.154 -1.470 19395 8093 1 13 . 1 1 92 92 PHE H H 92 7.472 7.472 8.319 -0.847 19395 8094 1 13 . 1 1 93 93 CYS N N 93 117.138 117.138 117.890 -0.752 19395 8095 1 13 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.702 0.661 19395 8096 1 13 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.315 2.649 19395 8097 1 13 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.305 0.173 19395 8098 1 13 . 1 1 93 93 CYS H H 93 7.562 7.562 7.448 0.114 19395 8099 1 13 . 1 1 94 94 GLU N N 94 118.594 118.594 119.812 -1.218 19395 8100 1 13 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.298 -0.171 19395 8101 1 13 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.554 1.487 19395 8102 1 13 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.081 -0.008 19395 8103 1 13 . 1 1 94 94 GLU H H 94 8.236 8.236 8.333 -0.097 19395 8104 1 13 . 1 1 95 95 ALA N N 95 121.081 121.081 123.198 -2.117 19395 8105 1 13 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.764 0.113 19395 8106 1 13 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.133 0.236 19395 8107 1 13 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.905 -1.781 19395 8108 1 13 . 1 1 95 95 ALA H H 95 7.898 7.898 7.598 0.300 19395 8109 1 13 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.401 0.422 19395 8110 1 13 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.427 0.540 19395 8111 1 13 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.491 1.065 19395 8112 1 13 . 1 1 97 97 GLY N N 97 113.478 113.478 113.788 -0.310 19395 8113 1 13 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.906 -0.207 19395 8114 1 13 . 1 1 97 97 GLY H H 97 9.198 9.198 8.301 0.897 19395 8115 1 13 . 1 1 98 98 SER N N 98 115.643 115.643 114.823 0.820 19395 8116 1 13 . 1 1 98 98 SER HA H 98 4.560 4.560 4.349 0.211 19395 8117 1 13 . 1 1 98 98 SER CA C 98 58.923 58.923 59.754 -0.831 19395 8118 1 13 . 1 1 98 98 SER CB C 98 64.427 64.427 64.154 0.273 19395 8119 1 13 . 1 1 98 98 SER H H 98 8.066 8.066 7.960 0.106 19395 8120 1 13 . 1 1 99 99 CYS N N 99 115.484 115.484 116.351 -0.867 19395 8121 1 13 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.309 0.088 19395 8122 1 13 . 1 1 99 99 CYS CA C 99 55.787 55.787 56.970 -1.183 19395 8123 1 13 . 1 1 99 99 CYS CB C 99 29.985 29.985 32.100 -2.115 19395 8124 1 13 . 1 1 99 99 CYS H H 99 7.532 7.532 8.384 -0.852 19395 8125 1 13 . 1 1 100 100 VAL N N 100 128.065 128.065 118.728 9.337 19395 8126 1 13 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.408 -0.100 19395 8127 1 13 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.259 2.372 19395 8128 1 13 . 1 1 100 100 VAL CB C 100 34.384 34.384 33.949 0.435 19395 8129 1 13 . 1 1 100 100 VAL H H 100 8.392 8.392 8.442 -0.050 19395 8130 1 13 . 1 1 101 101 ALA N N 101 130.346 130.346 131.309 -0.963 19395 8131 1 13 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.849 0.911 19395 8132 1 13 . 1 1 101 101 ALA CA C 101 50.101 50.101 50.817 -0.716 19395 8133 1 13 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.399 1.719 19395 8134 1 13 . 1 1 101 101 ALA H H 101 8.882 8.882 8.470 0.412 19395 8135 1 13 . 1 1 102 102 VAL N N 102 120.866 120.866 118.857 2.009 19395 8136 1 13 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.654 0.969 19395 8137 1 13 . 1 1 102 102 VAL CA C 102 58.795 58.795 59.512 -0.717 19395 8138 1 13 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.970 -0.830 19395 8139 1 13 . 1 1 102 102 VAL H H 102 9.359 9.359 8.885 0.474 19395 8140 1 13 . 1 1 103 103 HIS N N 103 120.019 120.019 123.740 -3.721 19395 8141 1 13 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.705 0.078 19395 8142 1 13 . 1 1 103 103 HIS CA C 103 55.292 55.292 57.179 -1.887 19395 8143 1 13 . 1 1 103 103 HIS CB C 103 33.032 33.032 29.827 3.205 19395 8144 1 13 . 1 1 103 103 HIS H H 103 8.749 8.749 8.507 0.242 19395 8145 1 13 . 1 1 104 104 CYS N N 104 118.175 118.175 125.044 -6.869 19395 8146 1 13 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.625 0.072 19395 8147 1 13 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.626 -1.361 19395 8148 1 13 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.494 2.685 19395 8149 1 13 . 1 1 104 104 CYS H H 104 8.428 8.428 8.499 -0.071 19395 8150 1 13 . 1 1 105 105 VAL N N 105 125.962 125.962 126.592 -0.630 19395 8151 1 13 . 1 1 105 105 VAL HA H 105 4.219 4.219 3.966 0.253 19395 8152 1 13 . 1 1 105 105 VAL CA C 105 66.483 66.483 63.674 2.809 19395 8153 1 13 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.789 -0.406 19395 8154 1 13 . 1 1 105 105 VAL H H 105 8.422 8.422 8.542 -0.120 19395 8155 1 13 . 1 1 106 106 ALA N N 106 123.180 123.180 119.388 3.792 19395 8156 1 13 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.525 0.170 19395 8157 1 13 . 1 1 106 106 ALA CA C 106 52.862 52.862 52.578 0.284 19395 8158 1 13 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.594 0.529 19395 8159 1 13 . 1 1 106 106 ALA H H 106 9.997 9.997 8.315 1.682 19395 8160 1 13 . 1 1 107 107 GLY N N 107 109.076 109.076 106.366 2.710 19395 8161 1 13 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.584 2.035 19395 8162 1 13 . 1 1 107 107 GLY H H 107 8.019 8.019 7.927 0.092 19395 8163 1 13 . 1 1 108 108 LEU N N 108 117.413 117.413 122.818 -5.405 19395 8164 1 13 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.759 0.705 19395 8165 1 13 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.416 0.367 19395 8166 1 13 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.617 4.203 19395 8167 1 13 . 1 1 108 108 LEU H H 108 7.598 7.598 8.370 -0.772 19395 8168 1 13 . 1 1 109 109 GLY N N 109 111.143 111.143 106.959 4.184 19395 8169 1 13 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.761 -0.120 19395 8170 1 13 . 1 1 109 109 GLY H H 109 10.576 10.576 8.746 1.830 19395 8171 1 13 . 1 1 110 110 ARG N N 110 127.464 127.464 123.483 3.981 19395 8172 1 13 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.802 -0.247 19395 8173 1 13 . 1 1 110 110 ARG CA C 110 60.426 60.426 58.968 1.458 19395 8174 1 13 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.154 3.030 19395 8175 1 13 . 1 1 110 110 ARG H H 110 10.234 10.234 8.396 1.838 19395 8176 1 13 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.300 -0.416 19395 8177 1 13 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.492 1.040 19395 8178 1 13 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.432 -0.523 19395 8179 1 13 . 1 1 113 113 VAL N N 113 116.720 116.720 119.549 -2.829 19395 8180 1 13 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.594 -0.034 19395 8181 1 13 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.937 -0.207 19395 8182 1 13 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.396 -0.873 19395 8183 1 13 . 1 1 113 113 VAL H H 113 8.340 8.340 8.369 -0.029 19395 8184 1 13 . 1 1 114 114 LEU N N 114 119.045 119.045 119.538 -0.493 19395 8185 1 13 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.200 -0.542 19395 8186 1 13 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.472 -0.443 19395 8187 1 13 . 1 1 114 114 LEU CB C 114 38.799 38.799 40.903 -2.104 19395 8188 1 13 . 1 1 114 114 LEU H H 114 6.990 6.990 8.387 -1.397 19395 8189 1 13 . 1 1 115 115 VAL N N 115 120.270 120.270 119.325 0.945 19395 8190 1 13 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.411 -0.368 19395 8191 1 13 . 1 1 115 115 VAL CA C 115 67.509 67.509 65.546 1.963 19395 8192 1 13 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.033 -0.246 19395 8193 1 13 . 1 1 115 115 VAL H H 115 7.188 7.188 7.614 -0.426 19395 8194 1 13 . 1 1 116 116 ALA N N 116 121.280 121.280 123.019 -1.739 19395 8195 1 13 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.041 -0.280 19395 8196 1 13 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.117 0.740 19395 8197 1 13 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.482 -0.614 19395 8198 1 13 . 1 1 116 116 ALA H H 116 8.649 8.649 8.444 0.205 19395 8199 1 13 . 1 1 117 117 LEU N N 117 116.557 116.557 120.433 -3.876 19395 8200 1 13 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.862 -0.094 19395 8201 1 13 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.636 0.724 19395 8202 1 13 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.918 2.149 19395 8203 1 13 . 1 1 117 117 LEU H H 117 8.048 8.048 7.499 0.549 19395 8204 1 13 . 1 1 118 118 ALA N N 118 119.916 119.916 120.055 -0.139 19395 8205 1 13 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.448 0.621 19395 8206 1 13 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.241 1.123 19395 8207 1 13 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.146 1.481 19395 8208 1 13 . 1 1 118 118 ALA H H 118 7.691 7.691 6.780 0.911 19395 8209 1 13 . 1 1 119 119 LEU N N 119 116.962 116.962 119.903 -2.941 19395 8210 1 13 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.027 -0.152 19395 8211 1 13 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.801 0.624 19395 8212 1 13 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.732 -1.947 19395 8213 1 13 . 1 1 119 119 LEU H H 119 7.988 7.988 7.550 0.438 19395 8214 1 13 . 1 1 120 120 ILE N N 120 123.209 123.209 118.796 4.413 19395 8215 1 13 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.976 0.773 19395 8216 1 13 . 1 1 120 120 ILE CA C 120 64.104 64.104 63.654 0.450 19395 8217 1 13 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.626 1.616 19395 8218 1 13 . 1 1 120 120 ILE H H 120 8.643 8.643 7.939 0.704 19395 8219 1 13 . 1 1 121 121 GLU N N 121 121.219 121.219 118.790 2.429 19395 8220 1 13 . 1 1 121 121 GLU HA H 121 4.508 4.508 3.979 0.529 19395 8221 1 13 . 1 1 121 121 GLU CA C 121 59.139 59.139 58.922 0.216 19395 8222 1 13 . 1 1 121 121 GLU CB C 121 29.233 29.233 29.036 0.197 19395 8223 1 13 . 1 1 121 121 GLU H H 121 8.680 8.680 7.818 0.862 19395 8224 1 13 . 1 1 122 122 SER N N 122 114.306 114.306 112.727 1.579 19395 8225 1 13 . 1 1 122 122 SER HA H 122 4.783 4.783 4.245 0.538 19395 8226 1 13 . 1 1 122 122 SER CA C 122 58.581 58.581 59.822 -1.241 19395 8227 1 13 . 1 1 122 122 SER CB C 122 64.656 64.656 63.618 1.038 19395 8228 1 13 . 1 1 122 122 SER H H 122 7.834 7.834 7.881 -0.047 19395 8229 1 13 . 1 1 123 123 GLY N N 123 108.666 108.666 109.026 -0.360 19395 8230 1 13 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.520 0.560 19395 8231 1 13 . 1 1 123 123 GLY H H 123 7.902 7.902 7.618 0.284 19395 8232 1 13 . 1 1 124 124 MET N N 124 123.358 123.358 120.128 3.230 19395 8233 1 13 . 1 1 124 124 MET HA H 124 4.258 4.258 4.680 -0.422 19395 8234 1 13 . 1 1 124 124 MET CA C 124 56.698 56.698 53.248 3.450 19395 8235 1 13 . 1 1 124 124 MET CB C 124 34.104 34.104 35.946 -1.842 19395 8236 1 13 . 1 1 124 124 MET H H 124 7.970 7.970 7.408 0.562 19395 8237 1 13 . 1 1 125 125 LYS N N 125 125.848 125.848 124.072 1.776 19395 8238 1 13 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.342 -0.048 19395 8239 1 13 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.435 0.474 19395 8240 1 13 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.078 0.659 19395 8241 1 13 . 1 1 125 125 LYS H H 125 8.903 8.903 8.419 0.484 19395 8242 1 13 . 1 1 126 126 TYR N N 126 124.016 124.016 128.190 -4.174 19395 8243 1 13 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.928 0.132 19395 8244 1 13 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.504 -0.770 19395 8245 1 13 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.770 0.172 19395 8246 1 13 . 1 1 126 126 TYR H H 126 9.242 9.242 9.123 0.119 19395 8247 1 13 . 1 1 127 127 GLU N N 127 119.702 119.702 117.939 1.763 19395 8248 1 13 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.160 0.233 19395 8249 1 13 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.588 0.627 19395 8250 1 13 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.646 0.339 19395 8251 1 13 . 1 1 127 127 GLU H H 127 9.102 9.102 8.641 0.461 19395 8252 1 13 . 1 1 128 128 ASP N N 128 118.661 118.661 119.197 -0.536 19395 8253 1 13 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.453 -0.042 19395 8254 1 13 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.091 -0.517 19395 8255 1 13 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.427 -0.321 19395 8256 1 13 . 1 1 128 128 ASP H H 128 6.782 6.782 8.128 -1.346 19395 8257 1 13 . 1 1 129 129 ALA N N 129 125.068 125.068 122.346 2.722 19395 8258 1 13 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.003 0.224 19395 8259 1 13 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.288 0.124 19395 8260 1 13 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.420 -0.108 19395 8261 1 13 . 1 1 129 129 ALA H H 129 8.365 8.365 8.317 0.048 19395 8262 1 13 . 1 1 130 130 ILE N N 130 115.533 115.533 119.071 -3.538 19395 8263 1 13 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.593 -0.102 19395 8264 1 13 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.655 1.461 19395 8265 1 13 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.349 0.437 19395 8266 1 13 . 1 1 130 130 ILE H H 130 8.044 8.044 8.356 -0.312 19395 8267 1 13 . 1 1 131 131 GLN N N 131 118.503 118.503 118.277 0.226 19395 8268 1 13 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.948 0.068 19395 8269 1 13 . 1 1 131 131 GLN CA C 131 58.791 58.791 59.100 -0.309 19395 8270 1 13 . 1 1 131 131 GLN CB C 131 28.439 28.439 28.388 0.051 19395 8271 1 13 . 1 1 131 131 GLN H H 131 7.426 7.426 7.936 -0.510 19395 8272 1 13 . 1 1 132 132 PHE N N 132 120.679 120.679 121.339 -0.660 19395 8273 1 13 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.211 0.112 19395 8274 1 13 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.373 -0.198 19395 8275 1 13 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.094 0.756 19395 8276 1 13 . 1 1 132 132 PHE H H 132 8.416 8.416 7.836 0.580 19395 8277 1 13 . 1 1 133 133 ILE N N 133 116.466 116.466 115.731 0.735 19395 8278 1 13 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.564 -0.075 19395 8279 1 13 . 1 1 133 133 ILE CA C 133 63.997 63.997 63.959 0.039 19395 8280 1 13 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.625 -0.064 19395 8281 1 13 . 1 1 133 133 ILE H H 133 7.964 7.964 7.968 -0.004 19395 8282 1 13 . 1 1 134 134 ARG N N 134 119.204 119.204 119.411 -0.207 19395 8283 1 13 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.163 0.159 19395 8284 1 13 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.571 0.589 19395 8285 1 13 . 1 1 134 134 ARG CB C 134 30.212 30.212 31.123 -0.911 19395 8286 1 13 . 1 1 134 134 ARG H H 134 8.449 8.449 8.286 0.163 19395 8287 1 13 . 1 1 135 135 GLN N N 135 117.511 117.511 118.770 -1.259 19395 8288 1 13 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.228 -0.191 19395 8289 1 13 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.015 0.322 19395 8290 1 13 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.689 -0.251 19395 8291 1 13 . 1 1 135 135 GLN H H 135 7.829 7.829 8.193 -0.364 19395 8292 1 13 . 1 1 136 136 LYS N N 136 116.364 116.364 116.348 0.016 19395 8293 1 13 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.316 -0.022 19395 8294 1 13 . 1 1 136 136 LYS CA C 136 56.209 56.209 55.983 0.226 19395 8295 1 13 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.682 0.297 19395 8296 1 13 . 1 1 136 136 LYS H H 136 7.280 7.280 7.647 -0.367 19395 8297 1 13 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.263 -0.417 19395 8298 1 13 . 1 1 140 140 ALA N N 140 121.841 121.841 123.738 -1.897 19395 8299 1 13 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.189 0.167 19395 8300 1 13 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.357 -0.030 19395 8301 1 13 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.343 0.231 19395 8302 1 13 . 1 1 140 140 ALA H H 140 7.553 7.553 8.062 -0.509 19395 8303 1 13 . 1 1 141 141 ILE N N 141 113.228 113.228 116.018 -2.790 19395 8304 1 13 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.265 -0.927 19395 8305 1 13 . 1 1 141 141 ILE CA C 141 65.889 65.889 59.142 6.747 19395 8306 1 13 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.429 -4.241 19395 8307 1 13 . 1 1 141 141 ILE H H 141 8.744 8.744 8.134 0.610 19395 8308 1 13 . 1 1 142 142 ASN N N 142 126.808 126.808 117.948 8.860 19395 8309 1 13 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.550 0.173 19395 8310 1 13 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.464 -3.381 19395 8311 1 13 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.933 -1.003 19395 8312 1 13 . 1 1 142 142 ASN H H 142 8.538 8.538 8.071 0.467 19395 8313 1 13 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.985 0.182 19395 8314 1 13 . 1 1 145 145 GLN N N 145 120.931 120.931 118.539 2.392 19395 8315 1 13 . 1 1 145 145 GLN HA H 145 3.735 3.735 3.996 -0.261 19395 8316 1 13 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.407 0.428 19395 8317 1 13 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.461 0.342 19395 8318 1 13 . 1 1 145 145 GLN H H 145 8.737 8.737 8.460 0.277 19395 8319 1 13 . 1 1 146 146 LEU N N 146 122.433 122.433 120.497 1.936 19395 8320 1 13 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.208 -0.233 19395 8321 1 13 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.492 0.521 19395 8322 1 13 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.838 -0.042 19395 8323 1 13 . 1 1 146 146 LEU H H 146 8.917 8.917 8.120 0.797 19395 8324 1 13 . 1 1 147 147 THR N N 147 115.378 115.378 113.566 1.812 19395 8325 1 13 . 1 1 147 147 THR HA H 147 3.936 3.936 3.857 0.079 19395 8326 1 13 . 1 1 147 147 THR CA C 147 66.512 66.512 66.317 0.195 19395 8327 1 13 . 1 1 147 147 THR CB C 147 68.865 68.865 68.646 0.219 19395 8328 1 13 . 1 1 147 147 THR H H 147 7.948 7.948 7.874 0.074 19395 8329 1 13 . 1 1 148 148 TYR N N 148 120.402 120.402 124.158 -3.756 19395 8330 1 13 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.146 -0.064 19395 8331 1 13 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.714 -0.519 19395 8332 1 13 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.218 -0.241 19395 8333 1 13 . 1 1 148 148 TYR H H 148 7.366 7.366 8.497 -1.131 19395 8334 1 13 . 1 1 149 149 LEU N N 149 119.957 119.957 118.950 1.007 19395 8335 1 13 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.471 0.257 19395 8336 1 13 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.473 1.068 19395 8337 1 13 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.591 1.972 19395 8338 1 13 . 1 1 149 149 LEU H H 149 7.968 7.968 7.541 0.427 19395 8339 1 13 . 1 1 150 150 GLU N N 150 120.132 120.132 117.458 2.674 19395 8340 1 13 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.543 -1.160 19395 8341 1 13 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.670 -0.208 19395 8342 1 13 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.645 -0.064 19395 8343 1 13 . 1 1 150 150 GLU H H 150 8.305 8.305 7.446 0.859 19395 8344 1 13 . 1 1 151 151 LYS N N 151 114.600 114.600 115.567 -0.967 19395 8345 1 13 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.188 -0.117 19395 8346 1 13 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.805 -1.173 19395 8347 1 13 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.253 -0.306 19395 8348 1 13 . 1 1 151 151 LYS H H 151 7.106 7.106 7.335 -0.229 19395 8349 1 13 . 1 1 152 152 TYR N N 152 123.664 123.664 122.664 1.000 19395 8350 1 13 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.130 -0.355 19395 8351 1 13 . 1 1 152 152 TYR CA C 152 59.659 59.659 58.437 1.222 19395 8352 1 13 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.929 -0.684 19395 8353 1 13 . 1 1 152 152 TYR H H 152 7.187 7.187 7.526 -0.339 19395 8354 1 13 . 1 1 153 153 ARG N N 153 130.321 130.321 126.118 4.203 19395 8355 1 13 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.663 0.102 19395 8356 1 13 . 1 1 153 153 ARG CA C 153 51.513 51.513 52.207 -0.694 19395 8357 1 13 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.025 -0.845 19395 8358 1 13 . 1 1 153 153 ARG H H 153 7.760 7.760 7.974 -0.214 19395 8359 1 13 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.668 -0.028 19395 8360 1 13 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.687 -0.632 19395 8361 1 13 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.626 0.977 19395 8362 1 13 . 1 1 155 155 LYS N N 155 122.066 122.066 123.148 -1.082 19395 8363 1 13 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.236 0.202 19395 8364 1 13 . 1 1 155 155 LYS CA C 155 55.923 55.923 55.970 -0.047 19395 8365 1 13 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.294 1.149 19395 8366 1 13 . 1 1 155 155 LYS H H 155 9.586 9.586 8.556 1.030 19395 8367 1 13 . 1 1 156 156 GLN N N 156 117.702 117.702 118.241 -0.539 19395 8368 1 13 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.258 0.108 19395 8369 1 13 . 1 1 156 156 GLN CA C 156 56.549 56.549 57.060 -0.511 19395 8370 1 13 . 1 1 156 156 GLN CB C 156 26.728 26.728 27.666 -0.938 19395 8371 1 13 . 1 1 156 156 GLN H H 156 8.334 8.334 8.067 0.267 19395 8372 1 13 . 1 1 157 157 ARG N N 157 117.466 117.466 121.408 -3.942 19395 8373 1 13 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.500 -0.345 19395 8374 1 13 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.283 0.739 19395 8375 1 13 . 1 1 157 157 ARG CB C 157 30.769 30.769 31.069 -0.300 19395 8376 1 13 . 1 1 157 157 ARG H H 157 8.983 8.983 8.617 0.366 19395 8377 1 13 . 1 1 158 158 LEU N N 158 117.973 117.973 117.411 0.562 19395 8378 1 13 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.327 0.302 19395 8379 1 13 . 1 1 158 158 LEU CA C 158 53.469 53.469 56.029 -2.560 19395 8380 1 13 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.929 -1.424 19395 8381 1 13 . 1 1 158 158 LEU H H 158 8.123 8.123 7.740 0.383 19395 8382 1 13 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.131 -0.018 19395 8383 1 13 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.316 2.171 19395 8384 1 13 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.589 -1.415 19395 8385 1 13 . 1 1 161 161 LYS H H 161 7.856 7.856 8.195 -0.339 19395 8386 1 14 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.420 -0.073 19395 8387 1 14 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.772 -0.234 19395 8388 1 14 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.390 -0.598 19395 8389 1 14 . 1 1 8 8 ALA N N 8 126.708 126.708 126.239 0.469 19395 8390 1 14 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.884 -0.273 19395 8391 1 14 . 1 1 8 8 ALA CA C 8 50.308 50.308 48.746 1.562 19395 8392 1 14 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.439 -1.234 19395 8393 1 14 . 1 1 8 8 ALA H H 8 8.399 8.399 8.215 0.184 19395 8394 1 14 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.312 0.339 19395 8395 1 14 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.048 0.535 19395 8396 1 14 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.440 0.071 19395 8397 1 14 . 1 1 10 10 VAL N N 10 118.581 118.581 119.449 -0.868 19395 8398 1 14 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.400 -0.099 19395 8399 1 14 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.104 -0.271 19395 8400 1 14 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.586 0.091 19395 8401 1 14 . 1 1 10 10 VAL H H 10 8.025 8.025 7.984 0.041 19395 8402 1 14 . 1 1 11 11 GLU N N 11 129.673 129.673 129.126 0.547 19395 8403 1 14 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.091 -0.006 19395 8404 1 14 . 1 1 11 11 GLU CA C 11 54.747 54.747 55.100 -0.353 19395 8405 1 14 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.561 0.568 19395 8406 1 14 . 1 1 11 11 GLU H H 11 8.723 8.723 8.806 -0.083 19395 8407 1 14 . 1 1 12 12 VAL N N 12 127.093 127.093 128.087 -0.994 19395 8408 1 14 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.470 -0.187 19395 8409 1 14 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.216 1.380 19395 8410 1 14 . 1 1 12 12 VAL CB C 12 34.546 34.546 34.847 -0.301 19395 8411 1 14 . 1 1 12 12 VAL H H 12 9.247 9.247 8.865 0.382 19395 8412 1 14 . 1 1 13 13 SER N N 13 123.385 123.385 125.270 -1.885 19395 8413 1 14 . 1 1 13 13 SER HA H 13 5.302 5.302 4.747 0.555 19395 8414 1 14 . 1 1 13 13 SER CA C 13 56.409 56.409 58.520 -2.111 19395 8415 1 14 . 1 1 13 13 SER CB C 13 64.981 64.981 63.272 1.709 19395 8416 1 14 . 1 1 13 13 SER H H 13 9.001 9.001 8.641 0.360 19395 8417 1 14 . 1 1 14 14 TYR N N 14 124.413 124.413 127.367 -2.954 19395 8418 1 14 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.442 0.095 19395 8419 1 14 . 1 1 14 14 TYR CA C 14 58.233 58.233 58.908 -0.675 19395 8420 1 14 . 1 1 14 14 TYR CB C 14 41.579 41.579 40.105 1.474 19395 8421 1 14 . 1 1 14 14 TYR H H 14 8.347 8.347 8.583 -0.236 19395 8422 1 14 . 1 1 15 15 LYS N N 15 125.130 125.130 118.888 6.242 19395 8423 1 14 . 1 1 15 15 LYS HA H 15 3.399 3.399 4.041 -0.642 19395 8424 1 14 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.725 -0.351 19395 8425 1 14 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.461 -2.567 19395 8426 1 14 . 1 1 15 15 LYS H H 15 8.820 8.820 8.760 0.060 19395 8427 1 14 . 1 1 16 16 HIS N N 16 121.278 121.278 115.210 6.068 19395 8428 1 14 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.615 -0.165 19395 8429 1 14 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.327 1.411 19395 8430 1 14 . 1 1 16 16 HIS CB C 16 30.229 30.229 30.598 -0.369 19395 8431 1 14 . 1 1 16 16 HIS H H 16 8.784 8.784 8.225 0.559 19395 8432 1 14 . 1 1 17 17 MET N N 17 120.113 120.113 115.049 5.064 19395 8433 1 14 . 1 1 17 17 MET HA H 17 2.326 2.326 4.838 -2.512 19395 8434 1 14 . 1 1 17 17 MET CA C 17 54.714 54.714 53.905 0.809 19395 8435 1 14 . 1 1 17 17 MET CB C 17 34.848 34.848 35.438 -0.590 19395 8436 1 14 . 1 1 17 17 MET H H 17 8.106 8.106 7.498 0.608 19395 8437 1 14 . 1 1 18 18 ARG N N 18 121.252 121.252 119.499 1.753 19395 8438 1 14 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.149 -0.310 19395 8439 1 14 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.444 0.350 19395 8440 1 14 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.911 -0.095 19395 8441 1 14 . 1 1 18 18 ARG H H 18 5.904 5.904 8.531 -2.627 19395 8442 1 14 . 1 1 19 19 PHE N N 19 121.195 121.195 121.353 -0.158 19395 8443 1 14 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.206 0.794 19395 8444 1 14 . 1 1 19 19 PHE CA C 19 55.618 55.618 56.049 -0.431 19395 8445 1 14 . 1 1 19 19 PHE CB C 19 43.616 43.616 44.074 -0.458 19395 8446 1 14 . 1 1 19 19 PHE H H 19 9.178 9.178 9.346 -0.168 19395 8447 1 14 . 1 1 20 20 LEU N N 20 123.804 123.804 122.372 1.432 19395 8448 1 14 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.250 -0.140 19395 8449 1 14 . 1 1 20 20 LEU CA C 20 52.568 52.568 54.085 -1.517 19395 8450 1 14 . 1 1 20 20 LEU CB C 20 46.883 46.883 45.016 1.867 19395 8451 1 14 . 1 1 20 20 LEU H H 20 8.601 8.601 9.236 -0.635 19395 8452 1 14 . 1 1 21 21 ILE N N 21 126.661 126.661 122.561 4.100 19395 8453 1 14 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.229 -0.098 19395 8454 1 14 . 1 1 21 21 ILE CA C 21 60.828 60.828 58.869 1.959 19395 8455 1 14 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.807 0.402 19395 8456 1 14 . 1 1 21 21 ILE H H 21 9.323 9.323 9.191 0.132 19395 8457 1 14 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.492 -0.163 19395 8458 1 14 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.093 -1.276 19395 8459 1 14 . 1 1 25 25 PRO CB C 25 32.524 32.524 32.586 -0.062 19395 8460 1 14 . 1 1 26 26 THR N N 26 131.812 131.812 109.657 22.155 19395 8461 1 14 . 1 1 26 26 THR H H 26 6.781 6.781 8.438 -1.657 19395 8462 1 14 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.252 0.092 19395 8463 1 14 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.808 0.213 19395 8464 1 14 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.284 -0.101 19395 8465 1 14 . 1 1 29 29 THR N N 29 104.375 104.375 111.555 -7.180 19395 8466 1 14 . 1 1 29 29 THR HA H 29 4.847 4.847 4.344 0.503 19395 8467 1 14 . 1 1 29 29 THR CA C 29 60.370 60.370 61.494 -1.124 19395 8468 1 14 . 1 1 29 29 THR CB C 29 69.135 69.135 69.736 -0.601 19395 8469 1 14 . 1 1 29 29 THR H H 29 7.642 7.642 7.771 -0.129 19395 8470 1 14 . 1 1 30 30 LEU N N 30 124.383 124.383 121.070 3.313 19395 8471 1 14 . 1 1 30 30 LEU HA H 30 4.013 4.013 4.021 -0.008 19395 8472 1 14 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.168 0.543 19395 8473 1 14 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.721 1.633 19395 8474 1 14 . 1 1 30 30 LEU H H 30 7.356 7.356 8.145 -0.788 19395 8475 1 14 . 1 1 31 31 SER N N 31 111.792 111.792 114.591 -2.799 19395 8476 1 14 . 1 1 31 31 SER H H 31 6.915 6.915 8.444 -1.529 19395 8477 1 14 . 1 1 32 32 THR N N 32 116.374 116.374 115.675 0.699 19395 8478 1 14 . 1 1 32 32 THR HA H 32 4.109 4.109 4.144 -0.035 19395 8479 1 14 . 1 1 32 32 THR CA C 32 65.142 65.142 66.105 -0.963 19395 8480 1 14 . 1 1 32 32 THR CB C 32 68.628 68.628 68.855 -0.227 19395 8481 1 14 . 1 1 32 32 THR H H 32 7.589 7.589 7.965 -0.376 19395 8482 1 14 . 1 1 33 33 PHE N N 33 124.790 124.790 123.351 1.439 19395 8483 1 14 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.565 -0.090 19395 8484 1 14 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.069 0.981 19395 8485 1 14 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.605 1.234 19395 8486 1 14 . 1 1 33 33 PHE H H 33 7.644 7.644 7.979 -0.335 19395 8487 1 14 . 1 1 34 34 ILE N N 34 117.776 117.776 117.561 0.215 19395 8488 1 14 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.008 0.339 19395 8489 1 14 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.419 1.603 19395 8490 1 14 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.356 -5.710 19395 8491 1 14 . 1 1 34 34 ILE H H 34 8.535 8.535 8.701 -0.166 19395 8492 1 14 . 1 1 35 35 GLU N N 35 119.202 119.202 119.548 -0.346 19395 8493 1 14 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.983 -0.056 19395 8494 1 14 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.682 0.064 19395 8495 1 14 . 1 1 35 35 GLU CB C 35 29.375 29.375 29.039 0.336 19395 8496 1 14 . 1 1 35 35 GLU H H 35 7.512 7.512 7.517 -0.005 19395 8497 1 14 . 1 1 36 36 ASP N N 36 121.117 121.117 120.427 0.690 19395 8498 1 14 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.482 0.072 19395 8499 1 14 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.151 0.787 19395 8500 1 14 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.360 -0.241 19395 8501 1 14 . 1 1 36 36 ASP H H 36 8.049 8.049 8.384 -0.335 19395 8502 1 14 . 1 1 37 37 LEU N N 37 119.257 119.257 116.909 2.348 19395 8503 1 14 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.224 -0.471 19395 8504 1 14 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.800 0.703 19395 8505 1 14 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.028 -1.068 19395 8506 1 14 . 1 1 37 37 LEU H H 37 8.016 8.016 7.594 0.422 19395 8507 1 14 . 1 1 38 38 LYS N N 38 117.743 117.743 119.890 -2.147 19395 8508 1 14 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.060 0.038 19395 8509 1 14 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.441 -0.137 19395 8510 1 14 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.697 -0.428 19395 8511 1 14 . 1 1 38 38 LYS H H 38 8.336 8.336 7.839 0.497 19395 8512 1 14 . 1 1 39 39 LYS N N 39 122.164 122.164 117.772 4.392 19395 8513 1 14 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.087 0.069 19395 8514 1 14 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.858 0.575 19395 8515 1 14 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.065 0.346 19395 8516 1 14 . 1 1 39 39 LYS H H 39 8.113 8.113 8.156 -0.043 19395 8517 1 14 . 1 1 40 40 TYR N N 40 114.347 114.347 119.348 -5.001 19395 8518 1 14 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.305 0.090 19395 8519 1 14 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.771 -0.121 19395 8520 1 14 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.522 1.174 19395 8521 1 14 . 1 1 40 40 TYR H H 40 7.626 7.626 7.927 -0.301 19395 8522 1 14 . 1 1 41 41 GLY N N 41 109.921 109.921 104.336 5.585 19395 8523 1 14 . 1 1 41 41 GLY CA C 41 46.766 46.766 44.885 1.881 19395 8524 1 14 . 1 1 41 41 GLY H H 41 7.878 7.878 7.315 0.563 19395 8525 1 14 . 1 1 42 42 ALA N N 42 123.757 123.757 123.116 0.641 19395 8526 1 14 . 1 1 42 42 ALA HA H 42 5.158 5.158 4.998 0.160 19395 8527 1 14 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.793 0.345 19395 8528 1 14 . 1 1 42 42 ALA CB C 42 19.909 19.909 20.507 -0.598 19395 8529 1 14 . 1 1 42 42 ALA H H 42 8.544 8.544 8.330 0.214 19395 8530 1 14 . 1 1 43 43 THR N N 43 109.574 109.574 114.298 -4.724 19395 8531 1 14 . 1 1 43 43 THR HA H 43 4.479 4.479 4.448 0.031 19395 8532 1 14 . 1 1 43 43 THR CA C 43 61.144 61.144 61.364 -0.220 19395 8533 1 14 . 1 1 43 43 THR CB C 43 69.180 69.180 68.174 1.006 19395 8534 1 14 . 1 1 43 43 THR H H 43 7.969 7.969 8.424 -0.455 19395 8535 1 14 . 1 1 44 44 THR N N 44 118.101 118.101 116.395 1.706 19395 8536 1 14 . 1 1 44 44 THR HA H 44 5.226 5.226 5.042 0.184 19395 8537 1 14 . 1 1 44 44 THR CA C 44 62.061 62.061 60.943 1.118 19395 8538 1 14 . 1 1 44 44 THR CB C 44 72.595 72.595 71.891 0.704 19395 8539 1 14 . 1 1 44 44 THR H H 44 7.458 7.458 7.463 -0.005 19395 8540 1 14 . 1 1 45 45 VAL N N 45 127.571 127.571 124.402 3.169 19395 8541 1 14 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.466 0.236 19395 8542 1 14 . 1 1 45 45 VAL CA C 45 60.504 60.504 60.249 0.255 19395 8543 1 14 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.895 2.287 19395 8544 1 14 . 1 1 45 45 VAL H H 45 9.398 9.398 9.020 0.378 19395 8545 1 14 . 1 1 46 46 VAL N N 46 129.011 129.011 122.031 6.980 19395 8546 1 14 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.237 0.094 19395 8547 1 14 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.212 -0.695 19395 8548 1 14 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.463 2.769 19395 8549 1 14 . 1 1 46 46 VAL H H 46 9.342 9.342 8.956 0.386 19395 8550 1 14 . 1 1 47 47 ARG N N 47 129.852 129.852 117.920 11.932 19395 8551 1 14 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.119 0.176 19395 8552 1 14 . 1 1 47 47 ARG CA C 47 56.019 56.019 56.236 -0.217 19395 8553 1 14 . 1 1 47 47 ARG CB C 47 30.817 30.817 29.855 0.962 19395 8554 1 14 . 1 1 47 47 ARG H H 47 9.037 9.037 7.910 1.127 19395 8555 1 14 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.765 -0.831 19395 8556 1 14 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.118 -1.430 19395 8557 1 14 . 1 1 49 49 CYS CB C 49 41.121 41.121 29.272 11.849 19395 8558 1 14 . 1 1 50 50 GLU N N 50 114.931 114.931 121.268 -6.337 19395 8559 1 14 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.401 -0.315 19395 8560 1 14 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.255 0.045 19395 8561 1 14 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.593 1.852 19395 8562 1 14 . 1 1 50 50 GLU H H 50 8.669 8.669 8.434 0.235 19395 8563 1 14 . 1 1 51 51 VAL N N 51 122.453 122.453 117.314 5.139 19395 8564 1 14 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.169 -0.748 19395 8565 1 14 . 1 1 51 51 VAL CA C 51 64.120 64.120 63.210 0.910 19395 8566 1 14 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.538 -0.508 19395 8567 1 14 . 1 1 51 51 VAL H H 51 8.356 8.356 7.873 0.483 19395 8568 1 14 . 1 1 52 52 THR N N 52 118.382 118.382 115.315 3.067 19395 8569 1 14 . 1 1 52 52 THR HA H 52 4.525 4.525 4.400 0.125 19395 8570 1 14 . 1 1 52 52 THR CA C 52 61.197 61.197 61.566 -0.369 19395 8571 1 14 . 1 1 52 52 THR CB C 52 69.429 69.429 69.082 0.347 19395 8572 1 14 . 1 1 52 52 THR H H 52 8.936 8.936 8.319 0.617 19395 8573 1 14 . 1 1 53 53 TYR N N 53 116.747 116.747 121.852 -5.105 19395 8574 1 14 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.730 0.032 19395 8575 1 14 . 1 1 53 53 TYR CA C 53 55.653 55.653 57.700 -2.047 19395 8576 1 14 . 1 1 53 53 TYR CB C 53 39.833 39.833 40.106 -0.273 19395 8577 1 14 . 1 1 53 53 TYR H H 53 7.040 7.040 7.770 -0.730 19395 8578 1 14 . 1 1 54 54 ASP N N 54 123.720 123.720 125.918 -2.198 19395 8579 1 14 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.261 0.247 19395 8580 1 14 . 1 1 54 54 ASP CA C 54 53.571 53.571 54.190 -0.619 19395 8581 1 14 . 1 1 54 54 ASP CB C 54 41.364 41.364 41.668 -0.304 19395 8582 1 14 . 1 1 54 54 ASP H H 54 9.280 9.280 8.179 1.101 19395 8583 1 14 . 1 1 55 55 LYS N N 55 121.455 121.455 118.716 2.739 19395 8584 1 14 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.257 0.262 19395 8585 1 14 . 1 1 55 55 LYS CA C 55 56.944 56.944 55.498 1.446 19395 8586 1 14 . 1 1 55 55 LYS CB C 55 32.940 32.940 30.947 1.993 19395 8587 1 14 . 1 1 55 55 LYS H H 55 8.497 8.497 8.093 0.404 19395 8588 1 14 . 1 1 56 56 THR N N 56 120.743 120.743 116.991 3.752 19395 8589 1 14 . 1 1 56 56 THR HA H 56 4.120 4.120 4.654 -0.534 19395 8590 1 14 . 1 1 56 56 THR CA C 56 68.652 68.652 63.676 4.976 19395 8591 1 14 . 1 1 56 56 THR CB C 56 66.508 66.508 68.920 -2.412 19395 8592 1 14 . 1 1 56 56 THR H H 56 8.701 8.701 7.995 0.706 19395 8593 1 14 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.423 -0.132 19395 8594 1 14 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.686 0.147 19395 8595 1 14 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.392 -0.003 19395 8596 1 14 . 1 1 58 58 LEU N N 58 116.313 116.313 116.900 -0.587 19395 8597 1 14 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.018 0.036 19395 8598 1 14 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.689 1.453 19395 8599 1 14 . 1 1 58 58 LEU CB C 58 40.354 40.354 39.894 0.460 19395 8600 1 14 . 1 1 58 58 LEU H H 58 7.170 7.170 8.543 -1.373 19395 8601 1 14 . 1 1 59 59 GLU N N 59 120.470 120.470 119.487 0.983 19395 8602 1 14 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.092 0.299 19395 8603 1 14 . 1 1 59 59 GLU CA C 59 59.104 59.104 58.686 0.418 19395 8604 1 14 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.142 0.184 19395 8605 1 14 . 1 1 59 59 GLU H H 59 7.794 7.794 8.459 -0.665 19395 8606 1 14 . 1 1 60 60 LYS N N 60 119.911 119.911 119.318 0.593 19395 8607 1 14 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.207 -0.099 19395 8608 1 14 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.548 1.007 19395 8609 1 14 . 1 1 60 60 LYS CB C 60 32.063 32.063 31.981 0.082 19395 8610 1 14 . 1 1 60 60 LYS H H 60 8.246 8.246 7.781 0.465 19395 8611 1 14 . 1 1 61 61 ASP N N 61 119.142 119.142 117.186 1.956 19395 8612 1 14 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.694 0.276 19395 8613 1 14 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.182 -0.403 19395 8614 1 14 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.714 1.173 19395 8615 1 14 . 1 1 61 61 ASP H H 61 7.235 7.235 7.638 -0.403 19395 8616 1 14 . 1 1 62 62 GLY N N 62 105.820 105.820 107.712 -1.892 19395 8617 1 14 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.887 0.155 19395 8618 1 14 . 1 1 62 62 GLY H H 62 7.742 7.742 7.547 0.195 19395 8619 1 14 . 1 1 63 63 ILE N N 63 123.074 123.074 119.974 3.100 19395 8620 1 14 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.149 0.189 19395 8621 1 14 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.242 -0.712 19395 8622 1 14 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.310 -0.792 19395 8623 1 14 . 1 1 63 63 ILE H H 63 7.870 7.870 7.694 0.176 19395 8624 1 14 . 1 1 64 64 THR N N 64 123.510 123.510 122.898 0.612 19395 8625 1 14 . 1 1 64 64 THR HA H 64 4.316 4.316 4.318 -0.002 19395 8626 1 14 . 1 1 64 64 THR CA C 64 63.015 63.015 62.293 0.722 19395 8627 1 14 . 1 1 64 64 THR CB C 64 70.376 70.376 69.470 0.906 19395 8628 1 14 . 1 1 64 64 THR H H 64 8.200 8.200 8.706 -0.506 19395 8629 1 14 . 1 1 65 65 VAL N N 65 128.299 128.299 127.161 1.138 19395 8630 1 14 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.101 0.947 19395 8631 1 14 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.088 -1.041 19395 8632 1 14 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.161 0.956 19395 8633 1 14 . 1 1 65 65 VAL H H 65 8.919 8.919 8.687 0.232 19395 8634 1 14 . 1 1 66 66 VAL N N 66 129.962 129.962 129.815 0.147 19395 8635 1 14 . 1 1 66 66 VAL HA H 66 3.927 3.927 4.121 -0.194 19395 8636 1 14 . 1 1 66 66 VAL CA C 66 60.683 60.683 61.050 -0.367 19395 8637 1 14 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.758 1.862 19395 8638 1 14 . 1 1 66 66 VAL H H 66 9.145 9.145 7.980 1.165 19395 8639 1 14 . 1 1 67 67 ASP N N 67 126.437 126.437 124.235 2.202 19395 8640 1 14 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.974 0.345 19395 8641 1 14 . 1 1 67 67 ASP CA C 67 54.170 54.170 52.611 1.558 19395 8642 1 14 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.845 1.226 19395 8643 1 14 . 1 1 67 67 ASP H H 67 8.099 8.099 7.926 0.173 19395 8644 1 14 . 1 1 68 68 TRP N N 68 125.863 125.863 123.575 2.288 19395 8645 1 14 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.884 0.656 19395 8646 1 14 . 1 1 68 68 TRP CA C 68 51.631 51.631 53.479 -1.848 19395 8647 1 14 . 1 1 68 68 TRP CB C 68 30.303 30.303 30.369 -0.066 19395 8648 1 14 . 1 1 68 68 TRP H H 68 8.305 8.305 8.148 0.157 19395 8649 1 14 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.434 -0.449 19395 8650 1 14 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.196 -0.253 19395 8651 1 14 . 1 1 69 69 PRO CB C 69 31.544 31.544 31.703 -0.159 19395 8652 1 14 . 1 1 70 70 PHE N N 70 113.153 113.153 116.302 -3.149 19395 8653 1 14 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.275 0.485 19395 8654 1 14 . 1 1 70 70 PHE CA C 70 56.067 56.067 58.982 -2.915 19395 8655 1 14 . 1 1 70 70 PHE CB C 70 39.334 39.334 38.812 0.522 19395 8656 1 14 . 1 1 70 70 PHE H H 70 7.237 7.237 7.616 -0.379 19395 8657 1 14 . 1 1 71 71 ASP N N 71 120.632 120.632 120.131 0.501 19395 8658 1 14 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.528 -0.246 19395 8659 1 14 . 1 1 71 71 ASP CA C 71 55.907 55.907 54.978 0.929 19395 8660 1 14 . 1 1 71 71 ASP CB C 71 41.099 41.099 39.916 1.183 19395 8661 1 14 . 1 1 71 71 ASP H H 71 8.514 8.514 7.694 0.820 19395 8662 1 14 . 1 1 73 73 GLY H H 73 8.510 8.510 7.772 0.738 19395 8663 1 14 . 1 1 74 74 ALA N N 74 123.138 123.138 121.467 1.671 19395 8664 1 14 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.056 0.784 19395 8665 1 14 . 1 1 74 74 ALA CA C 74 50.106 50.106 51.888 -1.782 19395 8666 1 14 . 1 1 74 74 ALA CB C 74 20.264 20.264 18.087 2.178 19395 8667 1 14 . 1 1 74 74 ALA H H 74 7.833 7.833 8.134 -0.301 19395 8668 1 14 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.395 0.061 19395 8669 1 14 . 1 1 79 79 LYS N N 79 119.944 119.944 121.204 -1.260 19395 8670 1 14 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.321 -0.381 19395 8671 1 14 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.628 1.196 19395 8672 1 14 . 1 1 79 79 LYS CB C 79 32.310 32.310 32.806 -0.496 19395 8673 1 14 . 1 1 79 79 LYS H H 79 8.425 8.425 7.478 0.947 19395 8674 1 14 . 1 1 80 80 VAL N N 80 116.231 116.231 119.589 -3.358 19395 8675 1 14 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.555 -0.160 19395 8676 1 14 . 1 1 80 80 VAL CA C 80 64.913 64.913 65.676 -0.763 19395 8677 1 14 . 1 1 80 80 VAL CB C 80 31.293 31.293 30.884 0.409 19395 8678 1 14 . 1 1 80 80 VAL H H 80 6.338 6.338 8.190 -1.852 19395 8679 1 14 . 1 1 81 81 VAL N N 81 118.082 118.082 115.110 2.972 19395 8680 1 14 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.597 -0.412 19395 8681 1 14 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.003 2.621 19395 8682 1 14 . 1 1 81 81 VAL CB C 81 31.645 31.645 31.162 0.483 19395 8683 1 14 . 1 1 81 81 VAL H H 81 7.362 7.362 7.792 -0.430 19395 8684 1 14 . 1 1 82 82 GLU N N 82 117.196 117.196 120.226 -3.030 19395 8685 1 14 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.961 -0.025 19395 8686 1 14 . 1 1 82 82 GLU CA C 82 59.494 59.494 60.066 -0.572 19395 8687 1 14 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.156 0.295 19395 8688 1 14 . 1 1 82 82 GLU H H 82 7.878 7.878 8.143 -0.265 19395 8689 1 14 . 1 1 83 83 ASP N N 83 121.828 121.828 120.701 1.127 19395 8690 1 14 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.532 -0.293 19395 8691 1 14 . 1 1 83 83 ASP CA C 83 57.279 57.279 57.541 -0.263 19395 8692 1 14 . 1 1 83 83 ASP CB C 83 38.149 38.149 40.668 -2.519 19395 8693 1 14 . 1 1 83 83 ASP H H 83 8.156 8.156 7.866 0.290 19395 8694 1 14 . 1 1 84 84 TRP N N 84 124.374 124.374 121.949 2.425 19395 8695 1 14 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.443 0.481 19395 8696 1 14 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.926 -0.904 19395 8697 1 14 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.819 -0.009 19395 8698 1 14 . 1 1 84 84 TRP H H 84 8.939 8.939 7.826 1.113 19395 8699 1 14 . 1 1 85 85 LEU N N 85 117.918 117.918 117.411 0.507 19395 8700 1 14 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.124 -0.364 19395 8701 1 14 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.278 0.721 19395 8702 1 14 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.567 0.762 19395 8703 1 14 . 1 1 85 85 LEU H H 85 8.723 8.723 8.285 0.438 19395 8704 1 14 . 1 1 86 86 SER N N 86 114.182 114.182 114.691 -0.509 19395 8705 1 14 . 1 1 86 86 SER HA H 86 4.187 4.187 4.262 -0.075 19395 8706 1 14 . 1 1 86 86 SER CA C 86 61.997 61.997 61.571 0.426 19395 8707 1 14 . 1 1 86 86 SER CB C 86 62.984 62.984 63.109 -0.125 19395 8708 1 14 . 1 1 86 86 SER H H 86 8.067 8.067 8.160 -0.093 19395 8709 1 14 . 1 1 87 87 LEU N N 87 125.441 125.441 122.759 2.682 19395 8710 1 14 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.132 0.078 19395 8711 1 14 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.277 0.660 19395 8712 1 14 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.662 0.917 19395 8713 1 14 . 1 1 87 87 LEU H H 87 8.300 8.300 8.044 0.256 19395 8714 1 14 . 1 1 88 88 VAL N N 88 116.784 116.784 116.089 0.695 19395 8715 1 14 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.735 -0.669 19395 8716 1 14 . 1 1 88 88 VAL CA C 88 66.385 66.385 66.708 -0.323 19395 8717 1 14 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.132 -0.368 19395 8718 1 14 . 1 1 88 88 VAL H H 88 8.468 8.468 7.936 0.532 19395 8719 1 14 . 1 1 89 89 LYS N N 89 118.569 118.569 119.403 -0.834 19395 8720 1 14 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.327 -0.302 19395 8721 1 14 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.606 0.870 19395 8722 1 14 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.321 0.535 19395 8723 1 14 . 1 1 89 89 LYS H H 89 7.652 7.652 8.311 -0.659 19395 8724 1 14 . 1 1 90 90 ALA N N 90 119.043 119.043 121.663 -2.620 19395 8725 1 14 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.316 -0.165 19395 8726 1 14 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.768 1.277 19395 8727 1 14 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.693 -1.239 19395 8728 1 14 . 1 1 90 90 ALA H H 90 7.616 7.616 8.050 -0.434 19395 8729 1 14 . 1 1 91 91 LYS N N 91 117.654 117.654 120.114 -2.460 19395 8730 1 14 . 1 1 91 91 LYS HA H 91 3.937 3.937 4.137 -0.200 19395 8731 1 14 . 1 1 91 91 LYS CA C 91 57.754 57.754 58.879 -1.125 19395 8732 1 14 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.862 -1.699 19395 8733 1 14 . 1 1 91 91 LYS H H 91 8.658 8.658 8.614 0.044 19395 8734 1 14 . 1 1 92 92 PHE N N 92 113.471 113.471 119.137 -5.666 19395 8735 1 14 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.535 0.084 19395 8736 1 14 . 1 1 92 92 PHE CA C 92 58.595 58.595 58.858 -0.263 19395 8737 1 14 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.609 -1.925 19395 8738 1 14 . 1 1 92 92 PHE H H 92 7.472 7.472 8.049 -0.577 19395 8739 1 14 . 1 1 93 93 CYS N N 93 117.138 117.138 118.023 -0.885 19395 8740 1 14 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.592 0.771 19395 8741 1 14 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.718 2.246 19395 8742 1 14 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.306 0.172 19395 8743 1 14 . 1 1 93 93 CYS H H 93 7.562 7.562 7.613 -0.051 19395 8744 1 14 . 1 1 94 94 GLU N N 94 118.594 118.594 119.394 -0.800 19395 8745 1 14 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.322 -0.195 19395 8746 1 14 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.508 1.533 19395 8747 1 14 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.209 -0.136 19395 8748 1 14 . 1 1 94 94 GLU H H 94 8.236 8.236 8.390 -0.154 19395 8749 1 14 . 1 1 95 95 ALA N N 95 121.081 121.081 123.268 -2.187 19395 8750 1 14 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.769 0.108 19395 8751 1 14 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.083 0.286 19395 8752 1 14 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.714 -1.590 19395 8753 1 14 . 1 1 95 95 ALA H H 95 7.898 7.898 7.454 0.444 19395 8754 1 14 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.390 0.433 19395 8755 1 14 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.407 0.560 19395 8756 1 14 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.411 1.145 19395 8757 1 14 . 1 1 97 97 GLY N N 97 113.478 113.478 113.521 -0.043 19395 8758 1 14 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.888 -0.189 19395 8759 1 14 . 1 1 97 97 GLY H H 97 9.198 9.198 8.282 0.916 19395 8760 1 14 . 1 1 98 98 SER N N 98 115.643 115.643 114.399 1.244 19395 8761 1 14 . 1 1 98 98 SER HA H 98 4.560 4.560 4.261 0.299 19395 8762 1 14 . 1 1 98 98 SER CA C 98 58.923 58.923 59.919 -0.996 19395 8763 1 14 . 1 1 98 98 SER CB C 98 64.427 64.427 64.292 0.135 19395 8764 1 14 . 1 1 98 98 SER H H 98 8.066 8.066 8.022 0.044 19395 8765 1 14 . 1 1 99 99 CYS N N 99 115.484 115.484 116.130 -0.646 19395 8766 1 14 . 1 1 99 99 CYS HA H 99 5.397 5.397 4.963 0.434 19395 8767 1 14 . 1 1 99 99 CYS CA C 99 55.787 55.787 56.988 -1.201 19395 8768 1 14 . 1 1 99 99 CYS CB C 99 29.985 29.985 31.645 -1.660 19395 8769 1 14 . 1 1 99 99 CYS H H 99 7.532 7.532 8.201 -0.669 19395 8770 1 14 . 1 1 100 100 VAL N N 100 128.065 128.065 117.028 11.037 19395 8771 1 14 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.231 0.077 19395 8772 1 14 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.992 1.639 19395 8773 1 14 . 1 1 100 100 VAL CB C 100 34.384 34.384 32.273 2.111 19395 8774 1 14 . 1 1 100 100 VAL H H 100 8.392 8.392 8.038 0.354 19395 8775 1 14 . 1 1 101 101 ALA N N 101 130.346 130.346 129.946 0.400 19395 8776 1 14 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.964 0.796 19395 8777 1 14 . 1 1 101 101 ALA CA C 101 50.101 50.101 50.944 -0.843 19395 8778 1 14 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.351 1.767 19395 8779 1 14 . 1 1 101 101 ALA H H 101 8.882 8.882 8.186 0.696 19395 8780 1 14 . 1 1 102 102 VAL N N 102 120.866 120.866 117.467 3.399 19395 8781 1 14 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.564 1.059 19395 8782 1 14 . 1 1 102 102 VAL CA C 102 58.795 58.795 59.971 -1.176 19395 8783 1 14 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.754 -0.614 19395 8784 1 14 . 1 1 102 102 VAL H H 102 9.359 9.359 8.842 0.517 19395 8785 1 14 . 1 1 103 103 HIS N N 103 120.019 120.019 122.868 -2.849 19395 8786 1 14 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.640 0.143 19395 8787 1 14 . 1 1 103 103 HIS CA C 103 55.292 55.292 57.019 -1.727 19395 8788 1 14 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.855 2.177 19395 8789 1 14 . 1 1 103 103 HIS H H 103 8.749 8.749 8.511 0.238 19395 8790 1 14 . 1 1 104 104 CYS N N 104 118.175 118.175 126.057 -7.882 19395 8791 1 14 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.718 -0.021 19395 8792 1 14 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.494 -1.229 19395 8793 1 14 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.383 2.796 19395 8794 1 14 . 1 1 104 104 CYS H H 104 8.428 8.428 8.156 0.272 19395 8795 1 14 . 1 1 105 105 VAL N N 105 125.962 125.962 124.553 1.409 19395 8796 1 14 . 1 1 105 105 VAL HA H 105 4.219 4.219 3.876 0.343 19395 8797 1 14 . 1 1 105 105 VAL CA C 105 66.483 66.483 64.871 1.613 19395 8798 1 14 . 1 1 105 105 VAL CB C 105 32.383 32.383 31.940 0.443 19395 8799 1 14 . 1 1 105 105 VAL H H 105 8.422 8.422 8.313 0.109 19395 8800 1 14 . 1 1 106 106 ALA N N 106 123.180 123.180 119.960 3.220 19395 8801 1 14 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.528 0.167 19395 8802 1 14 . 1 1 106 106 ALA CA C 106 52.862 52.862 52.442 0.420 19395 8803 1 14 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.481 0.642 19395 8804 1 14 . 1 1 106 106 ALA H H 106 9.997 9.997 8.058 1.939 19395 8805 1 14 . 1 1 107 107 GLY N N 107 109.076 109.076 106.867 2.209 19395 8806 1 14 . 1 1 107 107 GLY CA C 107 46.619 46.619 45.136 1.483 19395 8807 1 14 . 1 1 107 107 GLY H H 107 8.019 8.019 7.806 0.213 19395 8808 1 14 . 1 1 108 108 LEU N N 108 117.413 117.413 123.614 -6.201 19395 8809 1 14 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.712 0.752 19395 8810 1 14 . 1 1 108 108 LEU CA C 108 55.782 55.782 57.334 -1.552 19395 8811 1 14 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.050 4.770 19395 8812 1 14 . 1 1 108 108 LEU H H 108 7.598 7.598 8.370 -0.772 19395 8813 1 14 . 1 1 109 109 GLY N N 109 111.143 111.143 103.631 7.512 19395 8814 1 14 . 1 1 109 109 GLY CA C 109 47.641 47.641 46.351 1.290 19395 8815 1 14 . 1 1 109 109 GLY H H 109 10.576 10.576 8.081 2.495 19395 8816 1 14 . 1 1 110 110 ARG N N 110 127.464 127.464 122.027 5.437 19395 8817 1 14 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.862 -0.307 19395 8818 1 14 . 1 1 110 110 ARG CA C 110 60.426 60.426 58.896 1.530 19395 8819 1 14 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.325 2.858 19395 8820 1 14 . 1 1 110 110 ARG H H 110 10.234 10.234 8.657 1.577 19395 8821 1 14 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.263 -0.379 19395 8822 1 14 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.481 1.051 19395 8823 1 14 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.496 -0.587 19395 8824 1 14 . 1 1 113 113 VAL N N 113 116.720 116.720 119.583 -2.863 19395 8825 1 14 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.652 -0.092 19395 8826 1 14 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.798 -0.068 19395 8827 1 14 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.209 -0.686 19395 8828 1 14 . 1 1 113 113 VAL H H 113 8.340 8.340 8.475 -0.135 19395 8829 1 14 . 1 1 114 114 LEU N N 114 119.045 119.045 118.763 0.282 19395 8830 1 14 . 1 1 114 114 LEU HA H 114 3.658 3.658 3.996 -0.338 19395 8831 1 14 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.132 -0.102 19395 8832 1 14 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.608 -2.809 19395 8833 1 14 . 1 1 114 114 LEU H H 114 6.990 6.990 8.303 -1.313 19395 8834 1 14 . 1 1 115 115 VAL N N 115 120.270 120.270 116.250 4.020 19395 8835 1 14 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.878 -0.835 19395 8836 1 14 . 1 1 115 115 VAL CA C 115 67.509 67.509 65.889 1.620 19395 8837 1 14 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.161 -0.374 19395 8838 1 14 . 1 1 115 115 VAL H H 115 7.188 7.188 7.909 -0.721 19395 8839 1 14 . 1 1 116 116 ALA N N 116 121.280 121.280 122.553 -1.273 19395 8840 1 14 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.113 -0.352 19395 8841 1 14 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.240 0.617 19395 8842 1 14 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.117 -0.249 19395 8843 1 14 . 1 1 116 116 ALA H H 116 8.649 8.649 8.191 0.458 19395 8844 1 14 . 1 1 117 117 LEU N N 117 116.557 116.557 121.069 -4.512 19395 8845 1 14 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.927 -0.159 19395 8846 1 14 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.883 0.477 19395 8847 1 14 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.793 2.274 19395 8848 1 14 . 1 1 117 117 LEU H H 117 8.048 8.048 7.405 0.643 19395 8849 1 14 . 1 1 118 118 ALA N N 118 119.916 119.916 120.321 -0.405 19395 8850 1 14 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.571 0.498 19395 8851 1 14 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.375 0.989 19395 8852 1 14 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.335 1.292 19395 8853 1 14 . 1 1 118 118 ALA H H 118 7.691 7.691 6.834 0.857 19395 8854 1 14 . 1 1 119 119 LEU N N 119 116.962 116.962 119.706 -2.744 19395 8855 1 14 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.083 -0.208 19395 8856 1 14 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.689 0.736 19395 8857 1 14 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.856 -2.071 19395 8858 1 14 . 1 1 119 119 LEU H H 119 7.988 7.988 7.792 0.196 19395 8859 1 14 . 1 1 120 120 ILE N N 120 123.209 123.209 119.661 3.548 19395 8860 1 14 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.990 0.759 19395 8861 1 14 . 1 1 120 120 ILE CA C 120 64.104 64.104 63.865 0.239 19395 8862 1 14 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.634 1.608 19395 8863 1 14 . 1 1 120 120 ILE H H 120 8.643 8.643 8.190 0.453 19395 8864 1 14 . 1 1 121 121 GLU N N 121 121.219 121.219 118.970 2.249 19395 8865 1 14 . 1 1 121 121 GLU HA H 121 4.508 4.508 3.968 0.540 19395 8866 1 14 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.145 -0.006 19395 8867 1 14 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.858 0.375 19395 8868 1 14 . 1 1 121 121 GLU H H 121 8.680 8.680 7.844 0.836 19395 8869 1 14 . 1 1 122 122 SER N N 122 114.306 114.306 112.208 2.098 19395 8870 1 14 . 1 1 122 122 SER HA H 122 4.783 4.783 4.252 0.531 19395 8871 1 14 . 1 1 122 122 SER CA C 122 58.581 58.581 60.493 -1.912 19395 8872 1 14 . 1 1 122 122 SER CB C 122 64.656 64.656 63.868 0.788 19395 8873 1 14 . 1 1 122 122 SER H H 122 7.834 7.834 8.033 -0.199 19395 8874 1 14 . 1 1 123 123 GLY N N 123 108.666 108.666 109.641 -0.975 19395 8875 1 14 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.587 0.493 19395 8876 1 14 . 1 1 123 123 GLY H H 123 7.902 7.902 7.901 0.001 19395 8877 1 14 . 1 1 124 124 MET N N 124 123.358 123.358 119.893 3.465 19395 8878 1 14 . 1 1 124 124 MET HA H 124 4.258 4.258 4.660 -0.402 19395 8879 1 14 . 1 1 124 124 MET CA C 124 56.698 56.698 53.592 3.106 19395 8880 1 14 . 1 1 124 124 MET CB C 124 34.104 34.104 35.465 -1.361 19395 8881 1 14 . 1 1 124 124 MET H H 124 7.970 7.970 7.439 0.531 19395 8882 1 14 . 1 1 125 125 LYS N N 125 125.848 125.848 123.938 1.910 19395 8883 1 14 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.405 -0.111 19395 8884 1 14 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.290 0.619 19395 8885 1 14 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.126 0.611 19395 8886 1 14 . 1 1 125 125 LYS H H 125 8.903 8.903 8.427 0.476 19395 8887 1 14 . 1 1 126 126 TYR N N 126 124.016 124.016 127.190 -3.174 19395 8888 1 14 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.977 0.083 19395 8889 1 14 . 1 1 126 126 TYR CA C 126 61.734 61.734 63.209 -1.476 19395 8890 1 14 . 1 1 126 126 TYR CB C 126 37.942 37.942 38.132 -0.190 19395 8891 1 14 . 1 1 126 126 TYR H H 126 9.242 9.242 9.032 0.210 19395 8892 1 14 . 1 1 127 127 GLU N N 127 119.702 119.702 118.559 1.143 19395 8893 1 14 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.102 0.291 19395 8894 1 14 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.284 0.931 19395 8895 1 14 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.490 0.495 19395 8896 1 14 . 1 1 127 127 GLU H H 127 9.102 9.102 8.289 0.813 19395 8897 1 14 . 1 1 128 128 ASP N N 128 118.661 118.661 119.237 -0.576 19395 8898 1 14 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.298 0.113 19395 8899 1 14 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.480 -0.905 19395 8900 1 14 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.616 -0.510 19395 8901 1 14 . 1 1 128 128 ASP H H 128 6.782 6.782 8.175 -1.393 19395 8902 1 14 . 1 1 129 129 ALA N N 129 125.068 125.068 122.249 2.819 19395 8903 1 14 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.011 0.216 19395 8904 1 14 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.323 0.089 19395 8905 1 14 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.429 -0.117 19395 8906 1 14 . 1 1 129 129 ALA H H 129 8.365 8.365 8.385 -0.020 19395 8907 1 14 . 1 1 130 130 ILE N N 130 115.533 115.533 119.232 -3.699 19395 8908 1 14 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.603 -0.112 19395 8909 1 14 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.669 1.447 19395 8910 1 14 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.402 0.384 19395 8911 1 14 . 1 1 130 130 ILE H H 130 8.044 8.044 8.329 -0.285 19395 8912 1 14 . 1 1 131 131 GLN N N 131 118.503 118.503 118.278 0.225 19395 8913 1 14 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.952 0.064 19395 8914 1 14 . 1 1 131 131 GLN CA C 131 58.791 58.791 59.106 -0.315 19395 8915 1 14 . 1 1 131 131 GLN CB C 131 28.439 28.439 28.445 -0.006 19395 8916 1 14 . 1 1 131 131 GLN H H 131 7.426 7.426 7.919 -0.493 19395 8917 1 14 . 1 1 132 132 PHE N N 132 120.679 120.679 121.342 -0.663 19395 8918 1 14 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.312 0.011 19395 8919 1 14 . 1 1 132 132 PHE CA C 132 60.175 60.175 59.860 0.315 19395 8920 1 14 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.330 0.520 19395 8921 1 14 . 1 1 132 132 PHE H H 132 8.416 8.416 7.786 0.630 19395 8922 1 14 . 1 1 133 133 ILE N N 133 116.466 116.466 115.820 0.646 19395 8923 1 14 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.597 -0.108 19395 8924 1 14 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.104 -0.107 19395 8925 1 14 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.593 -0.032 19395 8926 1 14 . 1 1 133 133 ILE H H 133 7.964 7.964 8.179 -0.215 19395 8927 1 14 . 1 1 134 134 ARG N N 134 119.204 119.204 119.704 -0.500 19395 8928 1 14 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.050 0.272 19395 8929 1 14 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.464 0.696 19395 8930 1 14 . 1 1 134 134 ARG CB C 134 30.212 30.212 31.008 -0.796 19395 8931 1 14 . 1 1 134 134 ARG H H 134 8.449 8.449 8.277 0.172 19395 8932 1 14 . 1 1 135 135 GLN N N 135 117.511 117.511 118.510 -0.999 19395 8933 1 14 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.142 -0.105 19395 8934 1 14 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.176 0.161 19395 8935 1 14 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.515 -0.076 19395 8936 1 14 . 1 1 135 135 GLN H H 135 7.829 7.829 8.021 -0.192 19395 8937 1 14 . 1 1 136 136 LYS N N 136 116.364 116.364 117.181 -0.817 19395 8938 1 14 . 1 1 136 136 LYS HA H 136 4.294 4.294 3.962 0.332 19395 8939 1 14 . 1 1 136 136 LYS CA C 136 56.209 56.209 58.045 -1.836 19395 8940 1 14 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.409 0.570 19395 8941 1 14 . 1 1 136 136 LYS H H 136 7.280 7.280 7.858 -0.578 19395 8942 1 14 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.695 -0.850 19395 8943 1 14 . 1 1 140 140 ALA N N 140 121.841 121.841 122.351 -0.510 19395 8944 1 14 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.210 0.146 19395 8945 1 14 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.460 -0.133 19395 8946 1 14 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.510 0.064 19395 8947 1 14 . 1 1 140 140 ALA H H 140 7.553 7.553 8.094 -0.541 19395 8948 1 14 . 1 1 141 141 ILE N N 141 113.228 113.228 116.243 -3.015 19395 8949 1 14 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.204 -0.866 19395 8950 1 14 . 1 1 141 141 ILE CA C 141 65.889 65.889 59.206 6.683 19395 8951 1 14 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.536 -4.348 19395 8952 1 14 . 1 1 141 141 ILE H H 141 8.744 8.744 8.095 0.649 19395 8953 1 14 . 1 1 142 142 ASN N N 142 126.808 126.808 117.915 8.893 19395 8954 1 14 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.546 0.177 19395 8955 1 14 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.764 -3.682 19395 8956 1 14 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.904 -0.974 19395 8957 1 14 . 1 1 142 142 ASN H H 142 8.538 8.538 8.116 0.422 19395 8958 1 14 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.987 0.180 19395 8959 1 14 . 1 1 145 145 GLN N N 145 120.931 120.931 118.617 2.314 19395 8960 1 14 . 1 1 145 145 GLN HA H 145 3.735 3.735 3.993 -0.258 19395 8961 1 14 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.367 0.468 19395 8962 1 14 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.596 0.207 19395 8963 1 14 . 1 1 145 145 GLN H H 145 8.737 8.737 8.331 0.406 19395 8964 1 14 . 1 1 146 146 LEU N N 146 122.433 122.433 120.548 1.885 19395 8965 1 14 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.230 -0.255 19395 8966 1 14 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.583 0.430 19395 8967 1 14 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.891 -0.095 19395 8968 1 14 . 1 1 146 146 LEU H H 146 8.917 8.917 8.266 0.651 19395 8969 1 14 . 1 1 147 147 THR N N 147 115.378 115.378 113.670 1.708 19395 8970 1 14 . 1 1 147 147 THR HA H 147 3.936 3.936 3.885 0.051 19395 8971 1 14 . 1 1 147 147 THR CA C 147 66.512 66.512 66.058 0.454 19395 8972 1 14 . 1 1 147 147 THR CB C 147 68.865 68.865 68.421 0.444 19395 8973 1 14 . 1 1 147 147 THR H H 147 7.948 7.948 7.888 0.060 19395 8974 1 14 . 1 1 148 148 TYR N N 148 120.402 120.402 124.161 -3.759 19395 8975 1 14 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.147 -0.065 19395 8976 1 14 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.735 -0.540 19395 8977 1 14 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.158 -0.181 19395 8978 1 14 . 1 1 148 148 TYR H H 148 7.366 7.366 8.423 -1.057 19395 8979 1 14 . 1 1 149 149 LEU N N 149 119.957 119.957 118.819 1.138 19395 8980 1 14 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.621 0.107 19395 8981 1 14 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.337 1.204 19395 8982 1 14 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.663 1.900 19395 8983 1 14 . 1 1 149 149 LEU H H 149 7.968 7.968 7.522 0.446 19395 8984 1 14 . 1 1 150 150 GLU N N 150 120.132 120.132 117.872 2.260 19395 8985 1 14 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.576 -1.193 19395 8986 1 14 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.382 0.081 19395 8987 1 14 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.523 0.058 19395 8988 1 14 . 1 1 150 150 GLU H H 150 8.305 8.305 7.446 0.859 19395 8989 1 14 . 1 1 151 151 LYS N N 151 114.600 114.600 116.037 -1.437 19395 8990 1 14 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.140 -0.069 19395 8991 1 14 . 1 1 151 151 LYS CA C 151 55.632 55.632 57.057 -1.425 19395 8992 1 14 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.328 -0.381 19395 8993 1 14 . 1 1 151 151 LYS H H 151 7.106 7.106 7.482 -0.376 19395 8994 1 14 . 1 1 152 152 TYR N N 152 123.664 123.664 122.167 1.497 19395 8995 1 14 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.150 -0.375 19395 8996 1 14 . 1 1 152 152 TYR CA C 152 59.659 59.659 57.989 1.670 19395 8997 1 14 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.993 -0.748 19395 8998 1 14 . 1 1 152 152 TYR H H 152 7.187 7.187 7.514 -0.327 19395 8999 1 14 . 1 1 153 153 ARG N N 153 130.321 130.321 124.740 5.581 19395 9000 1 14 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.317 0.448 19395 9001 1 14 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.718 -0.204 19395 9002 1 14 . 1 1 153 153 ARG CB C 153 30.180 30.180 30.772 -0.592 19395 9003 1 14 . 1 1 153 153 ARG H H 153 7.760 7.760 7.799 -0.039 19395 9004 1 14 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.468 0.172 19395 9005 1 14 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.280 -0.225 19395 9006 1 14 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.520 1.083 19395 9007 1 14 . 1 1 155 155 LYS N N 155 122.066 122.066 121.633 0.433 19395 9008 1 14 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.081 0.357 19395 9009 1 14 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.212 -0.289 19395 9010 1 14 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.117 1.326 19395 9011 1 14 . 1 1 155 155 LYS H H 155 9.586 9.586 8.269 1.317 19395 9012 1 14 . 1 1 156 156 GLN N N 156 117.702 117.702 116.124 1.578 19395 9013 1 14 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.059 0.307 19395 9014 1 14 . 1 1 156 156 GLN CA C 156 56.549 56.549 56.604 -0.055 19395 9015 1 14 . 1 1 156 156 GLN CB C 156 26.728 26.728 26.175 0.553 19395 9016 1 14 . 1 1 156 156 GLN H H 156 8.334 8.334 8.096 0.238 19395 9017 1 14 . 1 1 157 157 ARG N N 157 117.466 117.466 119.628 -2.162 19395 9018 1 14 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.246 -0.091 19395 9019 1 14 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.438 0.584 19395 9020 1 14 . 1 1 157 157 ARG CB C 157 30.769 30.769 30.879 -0.110 19395 9021 1 14 . 1 1 157 157 ARG H H 157 8.983 8.983 8.598 0.385 19395 9022 1 14 . 1 1 158 158 LEU N N 158 117.973 117.973 117.880 0.093 19395 9023 1 14 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.329 0.300 19395 9024 1 14 . 1 1 158 158 LEU CA C 158 53.469 53.469 56.637 -3.168 19395 9025 1 14 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.590 -1.085 19395 9026 1 14 . 1 1 158 158 LEU H H 158 8.123 8.123 7.943 0.180 19395 9027 1 14 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.302 -0.189 19395 9028 1 14 . 1 1 161 161 LYS CA C 161 56.487 56.487 55.033 1.454 19395 9029 1 14 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.426 -1.252 19395 9030 1 14 . 1 1 161 161 LYS H H 161 7.856 7.856 8.010 -0.154 19395 9031 1 15 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.425 -0.078 19395 9032 1 15 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.653 -0.115 19395 9033 1 15 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.578 -0.786 19395 9034 1 15 . 1 1 8 8 ALA N N 8 126.708 126.708 127.838 -1.130 19395 9035 1 15 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.832 -0.221 19395 9036 1 15 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.501 0.807 19395 9037 1 15 . 1 1 8 8 ALA CB C 8 18.205 18.205 18.900 -0.695 19395 9038 1 15 . 1 1 8 8 ALA H H 8 8.399 8.399 8.321 0.078 19395 9039 1 15 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.072 0.579 19395 9040 1 15 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.121 0.462 19395 9041 1 15 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.569 -0.058 19395 9042 1 15 . 1 1 10 10 VAL N N 10 118.581 118.581 119.501 -0.920 19395 9043 1 15 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.350 -0.049 19395 9044 1 15 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.433 -0.600 19395 9045 1 15 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.623 0.054 19395 9046 1 15 . 1 1 10 10 VAL H H 10 8.025 8.025 7.913 0.112 19395 9047 1 15 . 1 1 11 11 GLU N N 11 129.673 129.673 128.905 0.768 19395 9048 1 15 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.017 0.068 19395 9049 1 15 . 1 1 11 11 GLU CA C 11 54.747 54.747 55.360 -0.613 19395 9050 1 15 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.503 0.626 19395 9051 1 15 . 1 1 11 11 GLU H H 11 8.723 8.723 8.814 -0.091 19395 9052 1 15 . 1 1 12 12 VAL N N 12 127.093 127.093 128.902 -1.809 19395 9053 1 15 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.489 -0.206 19395 9054 1 15 . 1 1 12 12 VAL CA C 12 61.596 61.596 59.757 1.839 19395 9055 1 15 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.458 1.088 19395 9056 1 15 . 1 1 12 12 VAL H H 12 9.247 9.247 8.798 0.449 19395 9057 1 15 . 1 1 13 13 SER N N 13 123.385 123.385 125.340 -1.955 19395 9058 1 15 . 1 1 13 13 SER HA H 13 5.302 5.302 4.804 0.498 19395 9059 1 15 . 1 1 13 13 SER CA C 13 56.409 56.409 58.077 -1.668 19395 9060 1 15 . 1 1 13 13 SER CB C 13 64.981 64.981 63.188 1.794 19395 9061 1 15 . 1 1 13 13 SER H H 13 9.001 9.001 8.665 0.336 19395 9062 1 15 . 1 1 14 14 TYR N N 14 124.413 124.413 128.058 -3.645 19395 9063 1 15 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.528 0.009 19395 9064 1 15 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.721 0.512 19395 9065 1 15 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.777 1.802 19395 9066 1 15 . 1 1 14 14 TYR H H 14 8.347 8.347 8.865 -0.518 19395 9067 1 15 . 1 1 15 15 LYS N N 15 125.130 125.130 119.235 5.895 19395 9068 1 15 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.997 -0.598 19395 9069 1 15 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.516 -0.142 19395 9070 1 15 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.292 -2.398 19395 9071 1 15 . 1 1 15 15 LYS H H 15 8.820 8.820 8.100 0.720 19395 9072 1 15 . 1 1 16 16 HIS N N 16 121.278 121.278 117.933 3.345 19395 9073 1 15 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.714 -0.264 19395 9074 1 15 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.258 1.480 19395 9075 1 15 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.861 0.368 19395 9076 1 15 . 1 1 16 16 HIS H H 16 8.784 8.784 8.155 0.629 19395 9077 1 15 . 1 1 17 17 MET N N 17 120.113 120.113 114.561 5.552 19395 9078 1 15 . 1 1 17 17 MET HA H 17 2.326 2.326 4.806 -2.480 19395 9079 1 15 . 1 1 17 17 MET CA C 17 54.714 54.714 55.128 -0.414 19395 9080 1 15 . 1 1 17 17 MET CB C 17 34.848 34.848 35.653 -0.805 19395 9081 1 15 . 1 1 17 17 MET H H 17 8.106 8.106 7.364 0.742 19395 9082 1 15 . 1 1 18 18 ARG N N 18 121.252 121.252 121.748 -0.496 19395 9083 1 15 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.274 -0.435 19395 9084 1 15 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.103 0.691 19395 9085 1 15 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.241 0.575 19395 9086 1 15 . 1 1 18 18 ARG H H 18 5.904 5.904 8.419 -2.515 19395 9087 1 15 . 1 1 19 19 PHE N N 19 121.195 121.195 122.884 -1.689 19395 9088 1 15 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.413 0.587 19395 9089 1 15 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.183 0.435 19395 9090 1 15 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.073 0.543 19395 9091 1 15 . 1 1 19 19 PHE H H 19 9.178 9.178 9.330 -0.152 19395 9092 1 15 . 1 1 20 20 LEU N N 20 123.804 123.804 121.597 2.207 19395 9093 1 15 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.142 -0.032 19395 9094 1 15 . 1 1 20 20 LEU CA C 20 52.568 52.568 54.094 -1.526 19395 9095 1 15 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.805 2.078 19395 9096 1 15 . 1 1 20 20 LEU H H 20 8.601 8.601 9.333 -0.732 19395 9097 1 15 . 1 1 21 21 ILE N N 21 126.661 126.661 122.991 3.670 19395 9098 1 15 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.286 -0.155 19395 9099 1 15 . 1 1 21 21 ILE CA C 21 60.828 60.828 58.965 1.863 19395 9100 1 15 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.214 0.995 19395 9101 1 15 . 1 1 21 21 ILE H H 21 9.323 9.323 9.183 0.140 19395 9102 1 15 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.448 -0.119 19395 9103 1 15 . 1 1 25 25 PRO CA C 25 61.818 61.818 64.220 -2.402 19395 9104 1 15 . 1 1 25 25 PRO CB C 25 32.524 32.524 31.906 0.618 19395 9105 1 15 . 1 1 26 26 THR N N 26 131.812 131.812 112.771 19.041 19395 9106 1 15 . 1 1 26 26 THR H H 26 6.781 6.781 7.555 -0.774 19395 9107 1 15 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.082 0.262 19395 9108 1 15 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.714 0.307 19395 9109 1 15 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.263 -0.080 19395 9110 1 15 . 1 1 29 29 THR N N 29 104.375 104.375 110.719 -6.344 19395 9111 1 15 . 1 1 29 29 THR HA H 29 4.847 4.847 4.388 0.459 19395 9112 1 15 . 1 1 29 29 THR CA C 29 60.370 60.370 62.556 -2.186 19395 9113 1 15 . 1 1 29 29 THR CB C 29 69.135 69.135 69.218 -0.082 19395 9114 1 15 . 1 1 29 29 THR H H 29 7.642 7.642 7.717 -0.075 19395 9115 1 15 . 1 1 30 30 LEU N N 30 124.383 124.383 119.896 4.487 19395 9116 1 15 . 1 1 30 30 LEU HA H 30 4.013 4.013 4.065 -0.052 19395 9117 1 15 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.732 -0.021 19395 9118 1 15 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.250 2.104 19395 9119 1 15 . 1 1 30 30 LEU H H 30 7.356 7.356 8.209 -0.853 19395 9120 1 15 . 1 1 31 31 SER N N 31 111.792 111.792 115.164 -3.372 19395 9121 1 15 . 1 1 31 31 SER H H 31 6.915 6.915 8.386 -1.471 19395 9122 1 15 . 1 1 32 32 THR N N 32 116.374 116.374 116.580 -0.206 19395 9123 1 15 . 1 1 32 32 THR HA H 32 4.109 4.109 4.006 0.103 19395 9124 1 15 . 1 1 32 32 THR CA C 32 65.142 65.142 66.607 -1.465 19395 9125 1 15 . 1 1 32 32 THR CB C 32 68.628 68.628 68.740 -0.112 19395 9126 1 15 . 1 1 32 32 THR H H 32 7.589 7.589 8.279 -0.690 19395 9127 1 15 . 1 1 33 33 PHE N N 33 124.790 124.790 122.961 1.829 19395 9128 1 15 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.210 0.265 19395 9129 1 15 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.256 0.794 19395 9130 1 15 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.543 1.296 19395 9131 1 15 . 1 1 33 33 PHE H H 33 7.644 7.644 7.774 -0.130 19395 9132 1 15 . 1 1 34 34 ILE N N 34 117.776 117.776 118.874 -1.098 19395 9133 1 15 . 1 1 34 34 ILE HA H 34 3.347 3.347 2.922 0.425 19395 9134 1 15 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.264 1.758 19395 9135 1 15 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.414 -5.768 19395 9136 1 15 . 1 1 34 34 ILE H H 34 8.535 8.535 8.720 -0.185 19395 9137 1 15 . 1 1 35 35 GLU N N 35 119.202 119.202 119.037 0.165 19395 9138 1 15 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.893 0.034 19395 9139 1 15 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.647 0.099 19395 9140 1 15 . 1 1 35 35 GLU CB C 35 29.375 29.375 29.006 0.369 19395 9141 1 15 . 1 1 35 35 GLU H H 35 7.512 7.512 7.516 -0.004 19395 9142 1 15 . 1 1 36 36 ASP N N 36 121.117 121.117 120.455 0.662 19395 9143 1 15 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.481 0.073 19395 9144 1 15 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.281 0.657 19395 9145 1 15 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.773 -0.654 19395 9146 1 15 . 1 1 36 36 ASP H H 36 8.049 8.049 7.936 0.113 19395 9147 1 15 . 1 1 37 37 LEU N N 37 119.257 119.257 116.319 2.938 19395 9148 1 15 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.232 -0.479 19395 9149 1 15 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.691 0.812 19395 9150 1 15 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.142 -1.182 19395 9151 1 15 . 1 1 37 37 LEU H H 37 8.016 8.016 7.485 0.531 19395 9152 1 15 . 1 1 38 38 LYS N N 38 117.743 117.743 119.849 -2.106 19395 9153 1 15 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.104 -0.006 19395 9154 1 15 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.332 -0.028 19395 9155 1 15 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.745 -0.477 19395 9156 1 15 . 1 1 38 38 LYS H H 38 8.336 8.336 7.905 0.431 19395 9157 1 15 . 1 1 39 39 LYS N N 39 122.164 122.164 117.903 4.261 19395 9158 1 15 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.099 0.057 19395 9159 1 15 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.781 0.652 19395 9160 1 15 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.103 0.308 19395 9161 1 15 . 1 1 39 39 LYS H H 39 8.113 8.113 8.189 -0.076 19395 9162 1 15 . 1 1 40 40 TYR N N 40 114.347 114.347 118.357 -4.010 19395 9163 1 15 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.339 0.056 19395 9164 1 15 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.035 0.615 19395 9165 1 15 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.261 1.435 19395 9166 1 15 . 1 1 40 40 TYR H H 40 7.626 7.626 7.929 -0.303 19395 9167 1 15 . 1 1 41 41 GLY N N 41 109.921 109.921 106.228 3.693 19395 9168 1 15 . 1 1 41 41 GLY CA C 41 46.766 46.766 45.137 1.629 19395 9169 1 15 . 1 1 41 41 GLY H H 41 7.878 7.878 7.326 0.552 19395 9170 1 15 . 1 1 42 42 ALA N N 42 123.757 123.757 122.789 0.968 19395 9171 1 15 . 1 1 42 42 ALA HA H 42 5.158 5.158 5.029 0.129 19395 9172 1 15 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.772 0.366 19395 9173 1 15 . 1 1 42 42 ALA CB C 42 19.909 19.909 21.193 -1.284 19395 9174 1 15 . 1 1 42 42 ALA H H 42 8.544 8.544 8.301 0.243 19395 9175 1 15 . 1 1 43 43 THR N N 43 109.574 109.574 114.935 -5.361 19395 9176 1 15 . 1 1 43 43 THR HA H 43 4.479 4.479 4.409 0.070 19395 9177 1 15 . 1 1 43 43 THR CA C 43 61.144 61.144 61.380 -0.236 19395 9178 1 15 . 1 1 43 43 THR CB C 43 69.180 69.180 68.230 0.950 19395 9179 1 15 . 1 1 43 43 THR H H 43 7.969 7.969 8.314 -0.345 19395 9180 1 15 . 1 1 44 44 THR N N 44 118.101 118.101 117.000 1.101 19395 9181 1 15 . 1 1 44 44 THR HA H 44 5.226 5.226 4.996 0.230 19395 9182 1 15 . 1 1 44 44 THR CA C 44 62.061 62.061 61.664 0.397 19395 9183 1 15 . 1 1 44 44 THR CB C 44 72.595 72.595 72.528 0.067 19395 9184 1 15 . 1 1 44 44 THR H H 44 7.458 7.458 7.475 -0.017 19395 9185 1 15 . 1 1 45 45 VAL N N 45 127.571 127.571 124.613 2.958 19395 9186 1 15 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.443 0.259 19395 9187 1 15 . 1 1 45 45 VAL CA C 45 60.504 60.504 61.056 -0.551 19395 9188 1 15 . 1 1 45 45 VAL CB C 45 35.182 35.182 33.114 2.068 19395 9189 1 15 . 1 1 45 45 VAL H H 45 9.398 9.398 8.999 0.399 19395 9190 1 15 . 1 1 46 46 VAL N N 46 129.011 129.011 122.202 6.809 19395 9191 1 15 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.164 0.166 19395 9192 1 15 . 1 1 46 46 VAL CA C 46 61.517 61.517 61.693 -0.176 19395 9193 1 15 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.835 2.397 19395 9194 1 15 . 1 1 46 46 VAL H H 46 9.342 9.342 9.077 0.265 19395 9195 1 15 . 1 1 47 47 ARG N N 47 129.852 129.852 118.445 11.407 19395 9196 1 15 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.051 0.244 19395 9197 1 15 . 1 1 47 47 ARG CA C 47 56.019 56.019 56.953 -0.934 19395 9198 1 15 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.115 0.702 19395 9199 1 15 . 1 1 47 47 ARG H H 47 9.037 9.037 7.788 1.249 19395 9200 1 15 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.747 -0.813 19395 9201 1 15 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.638 -1.950 19395 9202 1 15 . 1 1 49 49 CYS CB C 49 41.121 41.121 28.791 12.329 19395 9203 1 15 . 1 1 50 50 GLU N N 50 114.931 114.931 121.646 -6.715 19395 9204 1 15 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.330 -0.244 19395 9205 1 15 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.023 0.277 19395 9206 1 15 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.948 1.497 19395 9207 1 15 . 1 1 50 50 GLU H H 50 8.669 8.669 8.542 0.127 19395 9208 1 15 . 1 1 51 51 VAL N N 51 122.453 122.453 117.687 4.766 19395 9209 1 15 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.097 -0.676 19395 9210 1 15 . 1 1 51 51 VAL CA C 51 64.120 64.120 62.981 1.139 19395 9211 1 15 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.073 -0.043 19395 9212 1 15 . 1 1 51 51 VAL H H 51 8.356 8.356 7.807 0.549 19395 9213 1 15 . 1 1 52 52 THR N N 52 118.382 118.382 114.450 3.932 19395 9214 1 15 . 1 1 52 52 THR HA H 52 4.525 4.525 4.463 0.062 19395 9215 1 15 . 1 1 52 52 THR CA C 52 61.197 61.197 61.228 -0.031 19395 9216 1 15 . 1 1 52 52 THR CB C 52 69.429 69.429 69.404 0.025 19395 9217 1 15 . 1 1 52 52 THR H H 52 8.936 8.936 8.073 0.863 19395 9218 1 15 . 1 1 53 53 TYR N N 53 116.747 116.747 117.907 -1.160 19395 9219 1 15 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.813 -0.051 19395 9220 1 15 . 1 1 53 53 TYR CA C 53 55.653 55.653 56.941 -1.288 19395 9221 1 15 . 1 1 53 53 TYR CB C 53 39.833 39.833 39.643 0.190 19395 9222 1 15 . 1 1 53 53 TYR H H 53 7.040 7.040 7.413 -0.373 19395 9223 1 15 . 1 1 54 54 ASP N N 54 123.720 123.720 123.592 0.128 19395 9224 1 15 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.589 -0.081 19395 9225 1 15 . 1 1 54 54 ASP CA C 54 53.571 53.571 54.134 -0.563 19395 9226 1 15 . 1 1 54 54 ASP CB C 54 41.364 41.364 42.145 -0.781 19395 9227 1 15 . 1 1 54 54 ASP H H 54 9.280 9.280 8.499 0.781 19395 9228 1 15 . 1 1 55 55 LYS N N 55 121.455 121.455 122.381 -0.926 19395 9229 1 15 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.447 0.072 19395 9230 1 15 . 1 1 55 55 LYS CA C 55 56.944 56.944 57.398 -0.454 19395 9231 1 15 . 1 1 55 55 LYS CB C 55 32.940 32.940 32.050 0.890 19395 9232 1 15 . 1 1 55 55 LYS H H 55 8.497 8.497 8.417 0.080 19395 9233 1 15 . 1 1 56 56 THR N N 56 120.743 120.743 118.522 2.221 19395 9234 1 15 . 1 1 56 56 THR HA H 56 4.120 4.120 4.535 -0.415 19395 9235 1 15 . 1 1 56 56 THR CA C 56 68.652 68.652 62.673 5.979 19395 9236 1 15 . 1 1 56 56 THR CB C 56 66.508 66.508 68.245 -1.737 19395 9237 1 15 . 1 1 56 56 THR H H 56 8.701 8.701 8.536 0.165 19395 9238 1 15 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.464 -0.173 19395 9239 1 15 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.457 0.376 19395 9240 1 15 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.151 0.239 19395 9241 1 15 . 1 1 58 58 LEU N N 58 116.313 116.313 117.182 -0.869 19395 9242 1 15 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.195 -0.141 19395 9243 1 15 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.397 1.745 19395 9244 1 15 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.208 0.146 19395 9245 1 15 . 1 1 58 58 LEU H H 58 7.170 7.170 8.140 -0.970 19395 9246 1 15 . 1 1 59 59 GLU N N 59 120.470 120.470 120.829 -0.359 19395 9247 1 15 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.090 0.301 19395 9248 1 15 . 1 1 59 59 GLU CA C 59 59.104 59.104 59.035 0.069 19395 9249 1 15 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.293 0.033 19395 9250 1 15 . 1 1 59 59 GLU H H 59 7.794 7.794 8.795 -1.001 19395 9251 1 15 . 1 1 60 60 LYS N N 60 119.911 119.911 118.985 0.926 19395 9252 1 15 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.244 -0.136 19395 9253 1 15 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.426 1.129 19395 9254 1 15 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.057 0.006 19395 9255 1 15 . 1 1 60 60 LYS H H 60 8.246 8.246 7.869 0.377 19395 9256 1 15 . 1 1 61 61 ASP N N 61 119.142 119.142 117.495 1.647 19395 9257 1 15 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.696 0.274 19395 9258 1 15 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.020 -0.241 19395 9259 1 15 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.711 1.176 19395 9260 1 15 . 1 1 61 61 ASP H H 61 7.235 7.235 7.575 -0.340 19395 9261 1 15 . 1 1 62 62 GLY N N 62 105.820 105.820 107.726 -1.906 19395 9262 1 15 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.928 0.114 19395 9263 1 15 . 1 1 62 62 GLY H H 62 7.742 7.742 7.531 0.211 19395 9264 1 15 . 1 1 63 63 ILE N N 63 123.074 123.074 119.933 3.141 19395 9265 1 15 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.200 0.138 19395 9266 1 15 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.101 -0.571 19395 9267 1 15 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.534 -1.016 19395 9268 1 15 . 1 1 63 63 ILE H H 63 7.870 7.870 7.753 0.117 19395 9269 1 15 . 1 1 64 64 THR N N 64 123.510 123.510 122.638 0.872 19395 9270 1 15 . 1 1 64 64 THR HA H 64 4.316 4.316 4.330 -0.014 19395 9271 1 15 . 1 1 64 64 THR CA C 64 63.015 63.015 62.317 0.698 19395 9272 1 15 . 1 1 64 64 THR CB C 64 70.376 70.376 69.549 0.827 19395 9273 1 15 . 1 1 64 64 THR H H 64 8.200 8.200 8.624 -0.424 19395 9274 1 15 . 1 1 65 65 VAL N N 65 128.299 128.299 128.055 0.244 19395 9275 1 15 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.089 0.959 19395 9276 1 15 . 1 1 65 65 VAL CA C 65 61.047 61.047 61.959 -0.912 19395 9277 1 15 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.551 0.566 19395 9278 1 15 . 1 1 65 65 VAL H H 65 8.919 8.919 8.660 0.259 19395 9279 1 15 . 1 1 66 66 VAL N N 66 129.962 129.962 130.166 -0.204 19395 9280 1 15 . 1 1 66 66 VAL HA H 66 3.927 3.927 4.150 -0.223 19395 9281 1 15 . 1 1 66 66 VAL CA C 66 60.683 60.683 60.746 -0.063 19395 9282 1 15 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.113 2.507 19395 9283 1 15 . 1 1 66 66 VAL H H 66 9.145 9.145 8.193 0.952 19395 9284 1 15 . 1 1 67 67 ASP N N 67 126.437 126.437 124.313 2.124 19395 9285 1 15 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.912 0.407 19395 9286 1 15 . 1 1 67 67 ASP CA C 67 54.170 54.170 52.455 1.715 19395 9287 1 15 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.216 1.855 19395 9288 1 15 . 1 1 67 67 ASP H H 67 8.099 8.099 8.015 0.084 19395 9289 1 15 . 1 1 68 68 TRP N N 68 125.863 125.863 124.186 1.677 19395 9290 1 15 . 1 1 68 68 TRP HA H 68 5.540 5.540 5.144 0.396 19395 9291 1 15 . 1 1 68 68 TRP CA C 68 51.631 51.631 53.302 -1.671 19395 9292 1 15 . 1 1 68 68 TRP CB C 68 30.303 30.303 31.528 -1.225 19395 9293 1 15 . 1 1 68 68 TRP H H 68 8.305 8.305 7.947 0.358 19395 9294 1 15 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.479 -0.494 19395 9295 1 15 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.363 -0.420 19395 9296 1 15 . 1 1 69 69 PRO CB C 69 31.544 31.544 31.768 -0.224 19395 9297 1 15 . 1 1 70 70 PHE N N 70 113.153 113.153 119.445 -6.292 19395 9298 1 15 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.291 0.469 19395 9299 1 15 . 1 1 70 70 PHE CA C 70 56.067 56.067 60.781 -4.713 19395 9300 1 15 . 1 1 70 70 PHE CB C 70 39.334 39.334 38.910 0.424 19395 9301 1 15 . 1 1 70 70 PHE H H 70 7.237 7.237 8.036 -0.799 19395 9302 1 15 . 1 1 71 71 ASP N N 71 120.632 120.632 118.935 1.697 19395 9303 1 15 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.711 -0.429 19395 9304 1 15 . 1 1 71 71 ASP CA C 71 55.907 55.907 54.784 1.123 19395 9305 1 15 . 1 1 71 71 ASP CB C 71 41.099 41.099 39.198 1.901 19395 9306 1 15 . 1 1 71 71 ASP H H 71 8.514 8.514 7.841 0.673 19395 9307 1 15 . 1 1 73 73 GLY H H 73 8.510 8.510 7.898 0.612 19395 9308 1 15 . 1 1 74 74 ALA N N 74 123.138 123.138 126.515 -3.377 19395 9309 1 15 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.658 0.182 19395 9310 1 15 . 1 1 74 74 ALA CA C 74 50.106 50.106 49.418 0.688 19395 9311 1 15 . 1 1 74 74 ALA CB C 74 20.264 20.264 19.420 0.844 19395 9312 1 15 . 1 1 74 74 ALA H H 74 7.833 7.833 7.989 -0.156 19395 9313 1 15 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.339 0.117 19395 9314 1 15 . 1 1 79 79 LYS N N 79 119.944 119.944 121.461 -1.517 19395 9315 1 15 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.300 -0.360 19395 9316 1 15 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.966 0.858 19395 9317 1 15 . 1 1 79 79 LYS CB C 79 32.310 32.310 32.761 -0.451 19395 9318 1 15 . 1 1 79 79 LYS H H 79 8.425 8.425 7.462 0.963 19395 9319 1 15 . 1 1 80 80 VAL N N 80 116.231 116.231 118.901 -2.670 19395 9320 1 15 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.681 -0.286 19395 9321 1 15 . 1 1 80 80 VAL CA C 80 64.913 64.913 64.682 0.231 19395 9322 1 15 . 1 1 80 80 VAL CB C 80 31.293 31.293 30.628 0.665 19395 9323 1 15 . 1 1 80 80 VAL H H 80 6.338 6.338 8.329 -1.991 19395 9324 1 15 . 1 1 81 81 VAL N N 81 118.082 118.082 115.826 2.256 19395 9325 1 15 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.650 -0.465 19395 9326 1 15 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.138 2.486 19395 9327 1 15 . 1 1 81 81 VAL CB C 81 31.645 31.645 31.040 0.605 19395 9328 1 15 . 1 1 81 81 VAL H H 81 7.362 7.362 7.799 -0.437 19395 9329 1 15 . 1 1 82 82 GLU N N 82 117.196 117.196 119.070 -1.874 19395 9330 1 15 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.998 -0.062 19395 9331 1 15 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.982 -0.488 19395 9332 1 15 . 1 1 82 82 GLU CB C 82 29.451 29.451 28.886 0.565 19395 9333 1 15 . 1 1 82 82 GLU H H 82 7.878 7.878 7.810 0.068 19395 9334 1 15 . 1 1 83 83 ASP N N 83 121.828 121.828 120.313 1.515 19395 9335 1 15 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.553 -0.314 19395 9336 1 15 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.874 0.405 19395 9337 1 15 . 1 1 83 83 ASP CB C 83 38.149 38.149 40.559 -2.410 19395 9338 1 15 . 1 1 83 83 ASP H H 83 8.156 8.156 7.839 0.317 19395 9339 1 15 . 1 1 84 84 TRP N N 84 124.374 124.374 122.494 1.880 19395 9340 1 15 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.427 0.497 19395 9341 1 15 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.862 -0.840 19395 9342 1 15 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.726 0.084 19395 9343 1 15 . 1 1 84 84 TRP H H 84 8.939 8.939 7.901 1.038 19395 9344 1 15 . 1 1 85 85 LEU N N 85 117.918 117.918 117.678 0.240 19395 9345 1 15 . 1 1 85 85 LEU HA H 85 3.760 3.760 3.978 -0.218 19395 9346 1 15 . 1 1 85 85 LEU CA C 85 57.998 57.998 59.099 -1.101 19395 9347 1 15 . 1 1 85 85 LEU CB C 85 41.329 41.329 41.376 -0.047 19395 9348 1 15 . 1 1 85 85 LEU H H 85 8.723 8.723 8.230 0.493 19395 9349 1 15 . 1 1 86 86 SER N N 86 114.182 114.182 114.863 -0.681 19395 9350 1 15 . 1 1 86 86 SER HA H 86 4.187 4.187 4.135 0.052 19395 9351 1 15 . 1 1 86 86 SER CA C 86 61.997 61.997 61.681 0.316 19395 9352 1 15 . 1 1 86 86 SER CB C 86 62.984 62.984 63.207 -0.223 19395 9353 1 15 . 1 1 86 86 SER H H 86 8.067 8.067 8.066 0.001 19395 9354 1 15 . 1 1 87 87 LEU N N 87 125.441 125.441 123.058 2.383 19395 9355 1 15 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.078 0.132 19395 9356 1 15 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.093 0.844 19395 9357 1 15 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.557 1.022 19395 9358 1 15 . 1 1 87 87 LEU H H 87 8.300 8.300 8.161 0.139 19395 9359 1 15 . 1 1 88 88 VAL N N 88 116.784 116.784 119.026 -2.242 19395 9360 1 15 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.603 -0.537 19395 9361 1 15 . 1 1 88 88 VAL CA C 88 66.385 66.385 67.052 -0.667 19395 9362 1 15 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.306 -0.542 19395 9363 1 15 . 1 1 88 88 VAL H H 88 8.468 8.468 8.010 0.458 19395 9364 1 15 . 1 1 89 89 LYS N N 89 118.569 118.569 117.725 0.844 19395 9365 1 15 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.323 -0.298 19395 9366 1 15 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.757 0.719 19395 9367 1 15 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.383 0.473 19395 9368 1 15 . 1 1 89 89 LYS H H 89 7.652 7.652 8.496 -0.844 19395 9369 1 15 . 1 1 90 90 ALA N N 90 119.043 119.043 119.679 -0.636 19395 9370 1 15 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.345 -0.194 19395 9371 1 15 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.976 1.069 19395 9372 1 15 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.533 -1.079 19395 9373 1 15 . 1 1 90 90 ALA H H 90 7.616 7.616 7.870 -0.254 19395 9374 1 15 . 1 1 91 91 LYS N N 91 117.654 117.654 120.408 -2.754 19395 9375 1 15 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.943 -0.006 19395 9376 1 15 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.027 -1.273 19395 9377 1 15 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.933 -1.770 19395 9378 1 15 . 1 1 91 91 LYS H H 91 8.658 8.658 8.617 0.041 19395 9379 1 15 . 1 1 92 92 PHE N N 92 113.471 113.471 118.182 -4.711 19395 9380 1 15 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.419 0.200 19395 9381 1 15 . 1 1 92 92 PHE CA C 92 58.595 58.595 58.726 -0.131 19395 9382 1 15 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.127 -1.443 19395 9383 1 15 . 1 1 92 92 PHE H H 92 7.472 7.472 8.387 -0.915 19395 9384 1 15 . 1 1 93 93 CYS N N 93 117.138 117.138 118.275 -1.137 19395 9385 1 15 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.682 0.681 19395 9386 1 15 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.404 2.561 19395 9387 1 15 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.767 -0.289 19395 9388 1 15 . 1 1 93 93 CYS H H 93 7.562 7.562 7.597 -0.035 19395 9389 1 15 . 1 1 94 94 GLU N N 94 118.594 118.594 120.001 -1.407 19395 9390 1 15 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.270 -0.143 19395 9391 1 15 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.756 1.285 19395 9392 1 15 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.083 -0.010 19395 9393 1 15 . 1 1 94 94 GLU H H 94 8.236 8.236 8.405 -0.169 19395 9394 1 15 . 1 1 95 95 ALA N N 95 121.081 121.081 122.953 -1.872 19395 9395 1 15 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.731 0.146 19395 9396 1 15 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.170 0.199 19395 9397 1 15 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.978 -1.854 19395 9398 1 15 . 1 1 95 95 ALA H H 95 7.898 7.898 7.435 0.463 19395 9399 1 15 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.387 0.436 19395 9400 1 15 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.399 0.568 19395 9401 1 15 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.679 0.877 19395 9402 1 15 . 1 1 97 97 GLY N N 97 113.478 113.478 114.871 -1.393 19395 9403 1 15 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.671 0.028 19395 9404 1 15 . 1 1 97 97 GLY H H 97 9.198 9.198 8.319 0.879 19395 9405 1 15 . 1 1 98 98 SER N N 98 115.643 115.643 116.096 -0.453 19395 9406 1 15 . 1 1 98 98 SER HA H 98 4.560 4.560 4.254 0.306 19395 9407 1 15 . 1 1 98 98 SER CA C 98 58.923 58.923 59.519 -0.596 19395 9408 1 15 . 1 1 98 98 SER CB C 98 64.427 64.427 64.746 -0.319 19395 9409 1 15 . 1 1 98 98 SER H H 98 8.066 8.066 7.541 0.525 19395 9410 1 15 . 1 1 99 99 CYS N N 99 115.484 115.484 116.645 -1.161 19395 9411 1 15 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.303 0.094 19395 9412 1 15 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.237 -1.450 19395 9413 1 15 . 1 1 99 99 CYS CB C 99 29.985 29.985 32.422 -2.437 19395 9414 1 15 . 1 1 99 99 CYS H H 99 7.532 7.532 8.154 -0.622 19395 9415 1 15 . 1 1 100 100 VAL N N 100 128.065 128.065 119.014 9.051 19395 9416 1 15 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.348 -0.040 19395 9417 1 15 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.130 2.501 19395 9418 1 15 . 1 1 100 100 VAL CB C 100 34.384 34.384 34.245 0.140 19395 9419 1 15 . 1 1 100 100 VAL H H 100 8.392 8.392 8.512 -0.120 19395 9420 1 15 . 1 1 101 101 ALA N N 101 130.346 130.346 130.332 0.014 19395 9421 1 15 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.645 1.115 19395 9422 1 15 . 1 1 101 101 ALA CA C 101 50.101 50.101 50.565 -0.464 19395 9423 1 15 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.550 1.567 19395 9424 1 15 . 1 1 101 101 ALA H H 101 8.882 8.882 8.307 0.575 19395 9425 1 15 . 1 1 102 102 VAL N N 102 120.866 120.866 119.272 1.594 19395 9426 1 15 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.497 1.126 19395 9427 1 15 . 1 1 102 102 VAL CA C 102 58.795 58.795 59.962 -1.167 19395 9428 1 15 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.915 -0.775 19395 9429 1 15 . 1 1 102 102 VAL H H 102 9.359 9.359 8.837 0.522 19395 9430 1 15 . 1 1 103 103 HIS N N 103 120.019 120.019 123.978 -3.959 19395 9431 1 15 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.918 -0.135 19395 9432 1 15 . 1 1 103 103 HIS CA C 103 55.292 55.292 56.246 -0.954 19395 9433 1 15 . 1 1 103 103 HIS CB C 103 33.032 33.032 31.477 1.555 19395 9434 1 15 . 1 1 103 103 HIS H H 103 8.749 8.749 8.599 0.150 19395 9435 1 15 . 1 1 104 104 CYS N N 104 118.175 118.175 123.269 -5.094 19395 9436 1 15 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.882 -0.185 19395 9437 1 15 . 1 1 104 104 CYS CA C 104 56.265 56.265 55.860 0.405 19395 9438 1 15 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.472 2.707 19395 9439 1 15 . 1 1 104 104 CYS H H 104 8.428 8.428 7.723 0.705 19395 9440 1 15 . 1 1 105 105 VAL N N 105 125.962 125.962 120.967 4.995 19395 9441 1 15 . 1 1 105 105 VAL HA H 105 4.219 4.219 4.185 0.034 19395 9442 1 15 . 1 1 105 105 VAL CA C 105 66.483 66.483 64.003 2.480 19395 9443 1 15 . 1 1 105 105 VAL CB C 105 32.383 32.383 31.554 0.829 19395 9444 1 15 . 1 1 105 105 VAL H H 105 8.422 8.422 8.110 0.312 19395 9445 1 15 . 1 1 106 106 ALA N N 106 123.180 123.180 120.800 2.380 19395 9446 1 15 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.461 0.234 19395 9447 1 15 . 1 1 106 106 ALA CA C 106 52.862 52.862 53.072 -0.210 19395 9448 1 15 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.533 0.590 19395 9449 1 15 . 1 1 106 106 ALA H H 106 9.997 9.997 8.015 1.982 19395 9450 1 15 . 1 1 107 107 GLY N N 107 109.076 109.076 106.716 2.360 19395 9451 1 15 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.678 1.941 19395 9452 1 15 . 1 1 107 107 GLY H H 107 8.019 8.019 7.842 0.177 19395 9453 1 15 . 1 1 108 108 LEU N N 108 117.413 117.413 122.890 -5.477 19395 9454 1 15 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.765 0.699 19395 9455 1 15 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.417 0.365 19395 9456 1 15 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.561 4.259 19395 9457 1 15 . 1 1 108 108 LEU H H 108 7.598 7.598 8.396 -0.798 19395 9458 1 15 . 1 1 109 109 GLY N N 109 111.143 111.143 106.638 4.505 19395 9459 1 15 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.658 -0.017 19395 9460 1 15 . 1 1 109 109 GLY H H 109 10.576 10.576 8.760 1.816 19395 9461 1 15 . 1 1 110 110 ARG N N 110 127.464 127.464 122.919 4.545 19395 9462 1 15 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.817 -0.262 19395 9463 1 15 . 1 1 110 110 ARG CA C 110 60.426 60.426 59.303 1.123 19395 9464 1 15 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.769 2.414 19395 9465 1 15 . 1 1 110 110 ARG H H 110 10.234 10.234 8.631 1.603 19395 9466 1 15 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.256 -0.372 19395 9467 1 15 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.525 1.007 19395 9468 1 15 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.561 -0.652 19395 9469 1 15 . 1 1 113 113 VAL N N 113 116.720 116.720 119.740 -3.020 19395 9470 1 15 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.650 -0.090 19395 9471 1 15 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.716 0.014 19395 9472 1 15 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.108 -0.585 19395 9473 1 15 . 1 1 113 113 VAL H H 113 8.340 8.340 8.585 -0.245 19395 9474 1 15 . 1 1 114 114 LEU N N 114 119.045 119.045 119.216 -0.171 19395 9475 1 15 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.102 -0.444 19395 9476 1 15 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.145 -0.115 19395 9477 1 15 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.006 -2.207 19395 9478 1 15 . 1 1 114 114 LEU H H 114 6.990 6.990 8.351 -1.361 19395 9479 1 15 . 1 1 115 115 VAL N N 115 120.270 120.270 115.185 5.085 19395 9480 1 15 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.461 -0.418 19395 9481 1 15 . 1 1 115 115 VAL CA C 115 67.509 67.509 66.120 1.389 19395 9482 1 15 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.157 -0.370 19395 9483 1 15 . 1 1 115 115 VAL H H 115 7.188 7.188 7.746 -0.558 19395 9484 1 15 . 1 1 116 116 ALA N N 116 121.280 121.280 123.317 -2.037 19395 9485 1 15 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.086 -0.325 19395 9486 1 15 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.059 0.798 19395 9487 1 15 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.471 -0.603 19395 9488 1 15 . 1 1 116 116 ALA H H 116 8.649 8.649 8.213 0.436 19395 9489 1 15 . 1 1 117 117 LEU N N 117 116.557 116.557 120.293 -3.736 19395 9490 1 15 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.954 -0.186 19395 9491 1 15 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.940 0.420 19395 9492 1 15 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.826 2.241 19395 9493 1 15 . 1 1 117 117 LEU H H 117 8.048 8.048 7.791 0.257 19395 9494 1 15 . 1 1 118 118 ALA N N 118 119.916 119.916 120.111 -0.195 19395 9495 1 15 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.642 0.427 19395 9496 1 15 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.410 0.954 19395 9497 1 15 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.542 1.085 19395 9498 1 15 . 1 1 118 118 ALA H H 118 7.691 7.691 6.780 0.911 19395 9499 1 15 . 1 1 119 119 LEU N N 119 116.962 116.962 119.857 -2.895 19395 9500 1 15 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.053 -0.178 19395 9501 1 15 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.627 0.798 19395 9502 1 15 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.820 -2.035 19395 9503 1 15 . 1 1 119 119 LEU H H 119 7.988 7.988 7.607 0.381 19395 9504 1 15 . 1 1 120 120 ILE N N 120 123.209 123.209 119.550 3.659 19395 9505 1 15 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.936 0.813 19395 9506 1 15 . 1 1 120 120 ILE CA C 120 64.104 64.104 64.033 0.071 19395 9507 1 15 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.593 1.649 19395 9508 1 15 . 1 1 120 120 ILE H H 120 8.643 8.643 8.420 0.223 19395 9509 1 15 . 1 1 121 121 GLU N N 121 121.219 121.219 118.414 2.805 19395 9510 1 15 . 1 1 121 121 GLU HA H 121 4.508 4.508 4.015 0.493 19395 9511 1 15 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.057 0.082 19395 9512 1 15 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.899 0.334 19395 9513 1 15 . 1 1 121 121 GLU H H 121 8.680 8.680 7.868 0.812 19395 9514 1 15 . 1 1 122 122 SER N N 122 114.306 114.306 112.721 1.585 19395 9515 1 15 . 1 1 122 122 SER HA H 122 4.783 4.783 4.275 0.508 19395 9516 1 15 . 1 1 122 122 SER CA C 122 58.581 58.581 60.347 -1.766 19395 9517 1 15 . 1 1 122 122 SER CB C 122 64.656 64.656 63.649 1.007 19395 9518 1 15 . 1 1 122 122 SER H H 122 7.834 7.834 7.929 -0.095 19395 9519 1 15 . 1 1 123 123 GLY N N 123 108.666 108.666 109.700 -1.034 19395 9520 1 15 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.563 0.517 19395 9521 1 15 . 1 1 123 123 GLY H H 123 7.902 7.902 7.826 0.076 19395 9522 1 15 . 1 1 124 124 MET N N 124 123.358 123.358 119.754 3.604 19395 9523 1 15 . 1 1 124 124 MET HA H 124 4.258 4.258 4.580 -0.322 19395 9524 1 15 . 1 1 124 124 MET CA C 124 56.698 56.698 53.334 3.364 19395 9525 1 15 . 1 1 124 124 MET CB C 124 34.104 34.104 35.600 -1.496 19395 9526 1 15 . 1 1 124 124 MET H H 124 7.970 7.970 7.392 0.578 19395 9527 1 15 . 1 1 125 125 LYS N N 125 125.848 125.848 123.882 1.966 19395 9528 1 15 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.343 -0.049 19395 9529 1 15 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.311 0.598 19395 9530 1 15 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.110 0.627 19395 9531 1 15 . 1 1 125 125 LYS H H 125 8.903 8.903 8.406 0.497 19395 9532 1 15 . 1 1 126 126 TYR N N 126 124.016 124.016 128.193 -4.177 19395 9533 1 15 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.950 0.110 19395 9534 1 15 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.548 -0.814 19395 9535 1 15 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.754 0.188 19395 9536 1 15 . 1 1 126 126 TYR H H 126 9.242 9.242 9.147 0.095 19395 9537 1 15 . 1 1 127 127 GLU N N 127 119.702 119.702 117.880 1.822 19395 9538 1 15 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.190 0.203 19395 9539 1 15 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.596 0.619 19395 9540 1 15 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.679 0.306 19395 9541 1 15 . 1 1 127 127 GLU H H 127 9.102 9.102 8.603 0.499 19395 9542 1 15 . 1 1 128 128 ASP N N 128 118.661 118.661 119.288 -0.627 19395 9543 1 15 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.315 0.096 19395 9544 1 15 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.085 -0.511 19395 9545 1 15 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.436 -0.330 19395 9546 1 15 . 1 1 128 128 ASP H H 128 6.782 6.782 8.075 -1.293 19395 9547 1 15 . 1 1 129 129 ALA N N 129 125.068 125.068 122.206 2.862 19395 9548 1 15 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.001 0.226 19395 9549 1 15 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.308 0.104 19395 9550 1 15 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.433 -0.121 19395 9551 1 15 . 1 1 129 129 ALA H H 129 8.365 8.365 8.402 -0.037 19395 9552 1 15 . 1 1 130 130 ILE N N 130 115.533 115.533 119.397 -3.864 19395 9553 1 15 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.651 -0.160 19395 9554 1 15 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.882 1.234 19395 9555 1 15 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.326 0.460 19395 9556 1 15 . 1 1 130 130 ILE H H 130 8.044 8.044 8.290 -0.246 19395 9557 1 15 . 1 1 131 131 GLN N N 131 118.503 118.503 117.818 0.685 19395 9558 1 15 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.984 0.032 19395 9559 1 15 . 1 1 131 131 GLN CA C 131 58.791 58.791 58.399 0.392 19395 9560 1 15 . 1 1 131 131 GLN CB C 131 28.439 28.439 27.904 0.535 19395 9561 1 15 . 1 1 131 131 GLN H H 131 7.426 7.426 7.995 -0.569 19395 9562 1 15 . 1 1 132 132 PHE N N 132 120.679 120.679 121.493 -0.814 19395 9563 1 15 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.253 0.070 19395 9564 1 15 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.544 -0.369 19395 9565 1 15 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.050 0.799 19395 9566 1 15 . 1 1 132 132 PHE H H 132 8.416 8.416 7.839 0.577 19395 9567 1 15 . 1 1 133 133 ILE N N 133 116.466 116.466 115.519 0.947 19395 9568 1 15 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.697 -0.208 19395 9569 1 15 . 1 1 133 133 ILE CA C 133 63.997 63.997 63.885 0.112 19395 9570 1 15 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.670 -0.109 19395 9571 1 15 . 1 1 133 133 ILE H H 133 7.964 7.964 8.118 -0.154 19395 9572 1 15 . 1 1 134 134 ARG N N 134 119.204 119.204 119.425 -0.221 19395 9573 1 15 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.234 0.088 19395 9574 1 15 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.351 0.809 19395 9575 1 15 . 1 1 134 134 ARG CB C 134 30.212 30.212 30.874 -0.662 19395 9576 1 15 . 1 1 134 134 ARG H H 134 8.449 8.449 8.393 0.056 19395 9577 1 15 . 1 1 135 135 GLN N N 135 117.511 117.511 119.334 -1.823 19395 9578 1 15 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.135 -0.098 19395 9579 1 15 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.244 0.093 19395 9580 1 15 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.171 0.268 19395 9581 1 15 . 1 1 135 135 GLN H H 135 7.829 7.829 8.220 -0.391 19395 9582 1 15 . 1 1 136 136 LYS N N 136 116.364 116.364 116.859 -0.495 19395 9583 1 15 . 1 1 136 136 LYS HA H 136 4.294 4.294 3.957 0.337 19395 9584 1 15 . 1 1 136 136 LYS CA C 136 56.209 56.209 58.170 -1.961 19395 9585 1 15 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.394 0.585 19395 9586 1 15 . 1 1 136 136 LYS H H 136 7.280 7.280 7.781 -0.501 19395 9587 1 15 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.901 -1.056 19395 9588 1 15 . 1 1 140 140 ALA N N 140 121.841 121.841 122.239 -0.398 19395 9589 1 15 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.128 0.228 19395 9590 1 15 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.718 -0.391 19395 9591 1 15 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.172 0.402 19395 9592 1 15 . 1 1 140 140 ALA H H 140 7.553 7.553 8.013 -0.460 19395 9593 1 15 . 1 1 141 141 ILE N N 141 113.228 113.228 115.689 -2.461 19395 9594 1 15 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.267 -0.929 19395 9595 1 15 . 1 1 141 141 ILE CA C 141 65.889 65.889 59.682 6.207 19395 9596 1 15 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.580 -4.392 19395 9597 1 15 . 1 1 141 141 ILE H H 141 8.744 8.744 8.115 0.629 19395 9598 1 15 . 1 1 142 142 ASN N N 142 126.808 126.808 118.133 8.675 19395 9599 1 15 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.543 0.180 19395 9600 1 15 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.419 -3.337 19395 9601 1 15 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.775 -0.845 19395 9602 1 15 . 1 1 142 142 ASN H H 142 8.538 8.538 8.161 0.377 19395 9603 1 15 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.975 0.192 19395 9604 1 15 . 1 1 145 145 GLN N N 145 120.931 120.931 118.497 2.434 19395 9605 1 15 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.030 -0.295 19395 9606 1 15 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.285 0.550 19395 9607 1 15 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.774 0.029 19395 9608 1 15 . 1 1 145 145 GLN H H 145 8.737 8.737 8.224 0.513 19395 9609 1 15 . 1 1 146 146 LEU N N 146 122.433 122.433 120.555 1.878 19395 9610 1 15 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.198 -0.223 19395 9611 1 15 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.646 0.367 19395 9612 1 15 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.920 -0.124 19395 9613 1 15 . 1 1 146 146 LEU H H 146 8.917 8.917 8.209 0.708 19395 9614 1 15 . 1 1 147 147 THR N N 147 115.378 115.378 113.490 1.888 19395 9615 1 15 . 1 1 147 147 THR HA H 147 3.936 3.936 3.885 0.051 19395 9616 1 15 . 1 1 147 147 THR CA C 147 66.512 66.512 66.045 0.467 19395 9617 1 15 . 1 1 147 147 THR CB C 147 68.865 68.865 68.413 0.452 19395 9618 1 15 . 1 1 147 147 THR H H 147 7.948 7.948 7.875 0.073 19395 9619 1 15 . 1 1 148 148 TYR N N 148 120.402 120.402 124.034 -3.632 19395 9620 1 15 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.143 -0.061 19395 9621 1 15 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.608 -0.413 19395 9622 1 15 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.116 -0.139 19395 9623 1 15 . 1 1 148 148 TYR H H 148 7.366 7.366 8.337 -0.971 19395 9624 1 15 . 1 1 149 149 LEU N N 149 119.957 119.957 118.921 1.036 19395 9625 1 15 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.576 0.152 19395 9626 1 15 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.580 0.961 19395 9627 1 15 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.630 1.933 19395 9628 1 15 . 1 1 149 149 LEU H H 149 7.968 7.968 7.672 0.296 19395 9629 1 15 . 1 1 150 150 GLU N N 150 120.132 120.132 117.526 2.606 19395 9630 1 15 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.582 -1.199 19395 9631 1 15 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.578 -0.116 19395 9632 1 15 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.685 -0.104 19395 9633 1 15 . 1 1 150 150 GLU H H 150 8.305 8.305 7.469 0.836 19395 9634 1 15 . 1 1 151 151 LYS N N 151 114.600 114.600 115.636 -1.036 19395 9635 1 15 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.203 -0.132 19395 9636 1 15 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.840 -1.208 19395 9637 1 15 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.308 -0.361 19395 9638 1 15 . 1 1 151 151 LYS H H 151 7.106 7.106 7.434 -0.328 19395 9639 1 15 . 1 1 152 152 TYR N N 152 123.664 123.664 122.824 0.840 19395 9640 1 15 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.143 -0.368 19395 9641 1 15 . 1 1 152 152 TYR CA C 152 59.659 59.659 58.206 1.453 19395 9642 1 15 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.928 -0.683 19395 9643 1 15 . 1 1 152 152 TYR H H 152 7.187 7.187 7.608 -0.421 19395 9644 1 15 . 1 1 153 153 ARG N N 153 130.321 130.321 124.640 5.681 19395 9645 1 15 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.349 0.416 19395 9646 1 15 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.753 -0.240 19395 9647 1 15 . 1 1 153 153 ARG CB C 153 30.180 30.180 30.900 -0.720 19395 9648 1 15 . 1 1 153 153 ARG H H 153 7.760 7.760 7.761 -0.001 19395 9649 1 15 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.606 0.034 19395 9650 1 15 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.313 -0.258 19395 9651 1 15 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.635 0.969 19395 9652 1 15 . 1 1 155 155 LYS N N 155 122.066 122.066 122.072 -0.006 19395 9653 1 15 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.074 0.364 19395 9654 1 15 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.635 -0.711 19395 9655 1 15 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.242 1.201 19395 9656 1 15 . 1 1 155 155 LYS H H 155 9.586 9.586 8.396 1.190 19395 9657 1 15 . 1 1 156 156 GLN N N 156 117.702 117.702 117.787 -0.085 19395 9658 1 15 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.208 0.158 19395 9659 1 15 . 1 1 156 156 GLN CA C 156 56.549 56.549 57.113 -0.564 19395 9660 1 15 . 1 1 156 156 GLN CB C 156 26.728 26.728 27.188 -0.460 19395 9661 1 15 . 1 1 156 156 GLN H H 156 8.334 8.334 8.197 0.137 19395 9662 1 15 . 1 1 157 157 ARG N N 157 117.466 117.466 119.796 -2.330 19395 9663 1 15 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.361 -0.206 19395 9664 1 15 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.750 0.272 19395 9665 1 15 . 1 1 157 157 ARG CB C 157 30.769 30.769 30.797 -0.028 19395 9666 1 15 . 1 1 157 157 ARG H H 157 8.983 8.983 8.579 0.404 19395 9667 1 15 . 1 1 158 158 LEU N N 158 117.973 117.973 118.540 -0.567 19395 9668 1 15 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.226 0.404 19395 9669 1 15 . 1 1 158 158 LEU CA C 158 53.469 53.469 56.587 -3.118 19395 9670 1 15 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.640 -1.135 19395 9671 1 15 . 1 1 158 158 LEU H H 158 8.123 8.123 8.087 0.036 19395 9672 1 15 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.041 0.072 19395 9673 1 15 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.742 1.745 19395 9674 1 15 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.285 -1.111 19395 9675 1 15 . 1 1 161 161 LYS H H 161 7.856 7.856 7.869 -0.013 19395 9676 1 16 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.430 -0.083 19395 9677 1 16 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.876 -0.338 19395 9678 1 16 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.482 -0.690 19395 9679 1 16 . 1 1 8 8 ALA N N 8 126.708 126.708 127.049 -0.341 19395 9680 1 16 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.855 -0.244 19395 9681 1 16 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.705 0.604 19395 9682 1 16 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.322 -1.117 19395 9683 1 16 . 1 1 8 8 ALA H H 8 8.399 8.399 8.255 0.144 19395 9684 1 16 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.372 0.279 19395 9685 1 16 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.326 0.257 19395 9686 1 16 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.664 -0.153 19395 9687 1 16 . 1 1 10 10 VAL N N 10 118.581 118.581 120.195 -1.614 19395 9688 1 16 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.294 0.007 19395 9689 1 16 . 1 1 10 10 VAL CA C 10 60.833 60.833 60.952 -0.119 19395 9690 1 16 . 1 1 10 10 VAL CB C 10 34.677 34.677 33.805 0.872 19395 9691 1 16 . 1 1 10 10 VAL H H 10 8.025 8.025 8.086 -0.061 19395 9692 1 16 . 1 1 11 11 GLU N N 11 129.673 129.673 129.410 0.263 19395 9693 1 16 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.064 0.021 19395 9694 1 16 . 1 1 11 11 GLU CA C 11 54.747 54.747 54.726 0.021 19395 9695 1 16 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.404 0.726 19395 9696 1 16 . 1 1 11 11 GLU H H 11 8.723 8.723 8.774 -0.051 19395 9697 1 16 . 1 1 12 12 VAL N N 12 127.093 127.093 126.506 0.587 19395 9698 1 16 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.457 -0.174 19395 9699 1 16 . 1 1 12 12 VAL CA C 12 61.596 61.596 61.063 0.533 19395 9700 1 16 . 1 1 12 12 VAL CB C 12 34.546 34.546 34.973 -0.427 19395 9701 1 16 . 1 1 12 12 VAL H H 12 9.247 9.247 8.971 0.276 19395 9702 1 16 . 1 1 13 13 SER N N 13 123.385 123.385 125.335 -1.950 19395 9703 1 16 . 1 1 13 13 SER HA H 13 5.302 5.302 4.832 0.470 19395 9704 1 16 . 1 1 13 13 SER CA C 13 56.409 56.409 58.389 -1.980 19395 9705 1 16 . 1 1 13 13 SER CB C 13 64.981 64.981 63.595 1.386 19395 9706 1 16 . 1 1 13 13 SER H H 13 9.001 9.001 8.640 0.361 19395 9707 1 16 . 1 1 14 14 TYR N N 14 124.413 124.413 127.639 -3.226 19395 9708 1 16 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.449 0.088 19395 9709 1 16 . 1 1 14 14 TYR CA C 14 58.233 58.233 58.955 -0.722 19395 9710 1 16 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.990 1.589 19395 9711 1 16 . 1 1 14 14 TYR H H 14 8.347 8.347 8.665 -0.318 19395 9712 1 16 . 1 1 15 15 LYS N N 15 125.130 125.130 118.776 6.354 19395 9713 1 16 . 1 1 15 15 LYS HA H 15 3.399 3.399 4.023 -0.624 19395 9714 1 16 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.675 -0.301 19395 9715 1 16 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.475 -2.581 19395 9716 1 16 . 1 1 15 15 LYS H H 15 8.820 8.820 8.596 0.224 19395 9717 1 16 . 1 1 16 16 HIS N N 16 121.278 121.278 115.280 5.998 19395 9718 1 16 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.628 -0.178 19395 9719 1 16 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.455 1.283 19395 9720 1 16 . 1 1 16 16 HIS CB C 16 30.229 30.229 30.677 -0.448 19395 9721 1 16 . 1 1 16 16 HIS H H 16 8.784 8.784 8.238 0.546 19395 9722 1 16 . 1 1 17 17 MET N N 17 120.113 120.113 114.955 5.158 19395 9723 1 16 . 1 1 17 17 MET HA H 17 2.326 2.326 4.866 -2.540 19395 9724 1 16 . 1 1 17 17 MET CA C 17 54.714 54.714 53.866 0.848 19395 9725 1 16 . 1 1 17 17 MET CB C 17 34.848 34.848 35.586 -0.738 19395 9726 1 16 . 1 1 17 17 MET H H 17 8.106 8.106 7.507 0.599 19395 9727 1 16 . 1 1 18 18 ARG N N 18 121.252 121.252 119.427 1.825 19395 9728 1 16 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.191 -0.352 19395 9729 1 16 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.507 0.287 19395 9730 1 16 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.901 -0.085 19395 9731 1 16 . 1 1 18 18 ARG H H 18 5.904 5.904 8.526 -2.622 19395 9732 1 16 . 1 1 19 19 PHE N N 19 121.195 121.195 121.318 -0.123 19395 9733 1 16 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.177 0.823 19395 9734 1 16 . 1 1 19 19 PHE CA C 19 55.618 55.618 56.123 -0.505 19395 9735 1 16 . 1 1 19 19 PHE CB C 19 43.616 43.616 44.192 -0.576 19395 9736 1 16 . 1 1 19 19 PHE H H 19 9.178 9.178 9.341 -0.163 19395 9737 1 16 . 1 1 20 20 LEU N N 20 123.804 123.804 122.230 1.574 19395 9738 1 16 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.283 -0.173 19395 9739 1 16 . 1 1 20 20 LEU CA C 20 52.568 52.568 54.059 -1.491 19395 9740 1 16 . 1 1 20 20 LEU CB C 20 46.883 46.883 45.061 1.822 19395 9741 1 16 . 1 1 20 20 LEU H H 20 8.601 8.601 9.271 -0.670 19395 9742 1 16 . 1 1 21 21 ILE N N 21 126.661 126.661 122.759 3.902 19395 9743 1 16 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.277 -0.146 19395 9744 1 16 . 1 1 21 21 ILE CA C 21 60.828 60.828 58.825 2.003 19395 9745 1 16 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.753 0.456 19395 9746 1 16 . 1 1 21 21 ILE H H 21 9.323 9.323 9.209 0.114 19395 9747 1 16 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.394 -0.065 19395 9748 1 16 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.429 -1.611 19395 9749 1 16 . 1 1 25 25 PRO CB C 25 32.524 32.524 31.424 1.100 19395 9750 1 16 . 1 1 26 26 THR N N 26 131.812 131.812 116.425 15.387 19395 9751 1 16 . 1 1 26 26 THR H H 26 6.781 6.781 7.910 -1.129 19395 9752 1 16 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.293 0.051 19395 9753 1 16 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.635 0.386 19395 9754 1 16 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.507 -0.324 19395 9755 1 16 . 1 1 29 29 THR N N 29 104.375 104.375 111.293 -6.918 19395 9756 1 16 . 1 1 29 29 THR HA H 29 4.847 4.847 4.321 0.526 19395 9757 1 16 . 1 1 29 29 THR CA C 29 60.370 60.370 61.164 -0.794 19395 9758 1 16 . 1 1 29 29 THR CB C 29 69.135 69.135 69.483 -0.348 19395 9759 1 16 . 1 1 29 29 THR H H 29 7.642 7.642 7.764 -0.122 19395 9760 1 16 . 1 1 30 30 LEU N N 30 124.383 124.383 121.134 3.249 19395 9761 1 16 . 1 1 30 30 LEU HA H 30 4.013 4.013 3.993 0.020 19395 9762 1 16 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.129 0.582 19395 9763 1 16 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.798 1.556 19395 9764 1 16 . 1 1 30 30 LEU H H 30 7.356 7.356 8.210 -0.854 19395 9765 1 16 . 1 1 31 31 SER N N 31 111.792 111.792 114.641 -2.849 19395 9766 1 16 . 1 1 31 31 SER H H 31 6.915 6.915 8.400 -1.485 19395 9767 1 16 . 1 1 32 32 THR N N 32 116.374 116.374 116.241 0.133 19395 9768 1 16 . 1 1 32 32 THR HA H 32 4.109 4.109 4.155 -0.046 19395 9769 1 16 . 1 1 32 32 THR CA C 32 65.142 65.142 66.258 -1.116 19395 9770 1 16 . 1 1 32 32 THR CB C 32 68.628 68.628 68.859 -0.231 19395 9771 1 16 . 1 1 32 32 THR H H 32 7.589 7.589 7.966 -0.377 19395 9772 1 16 . 1 1 33 33 PHE N N 33 124.790 124.790 123.655 1.135 19395 9773 1 16 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.553 -0.078 19395 9774 1 16 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.320 0.730 19395 9775 1 16 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.585 1.254 19395 9776 1 16 . 1 1 33 33 PHE H H 33 7.644 7.644 8.048 -0.404 19395 9777 1 16 . 1 1 34 34 ILE N N 34 117.776 117.776 117.636 0.140 19395 9778 1 16 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.026 0.321 19395 9779 1 16 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.442 1.580 19395 9780 1 16 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.374 -5.728 19395 9781 1 16 . 1 1 34 34 ILE H H 34 8.535 8.535 8.731 -0.196 19395 9782 1 16 . 1 1 35 35 GLU N N 35 119.202 119.202 119.468 -0.266 19395 9783 1 16 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.980 -0.053 19395 9784 1 16 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.700 0.046 19395 9785 1 16 . 1 1 35 35 GLU CB C 35 29.375 29.375 29.018 0.357 19395 9786 1 16 . 1 1 35 35 GLU H H 35 7.512 7.512 7.532 -0.020 19395 9787 1 16 . 1 1 36 36 ASP N N 36 121.117 121.117 120.532 0.585 19395 9788 1 16 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.482 0.072 19395 9789 1 16 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.156 0.782 19395 9790 1 16 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.345 -0.226 19395 9791 1 16 . 1 1 36 36 ASP H H 36 8.049 8.049 8.312 -0.263 19395 9792 1 16 . 1 1 37 37 LEU N N 37 119.257 119.257 116.907 2.350 19395 9793 1 16 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.177 -0.424 19395 9794 1 16 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.702 0.801 19395 9795 1 16 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.046 -1.086 19395 9796 1 16 . 1 1 37 37 LEU H H 37 8.016 8.016 7.569 0.447 19395 9797 1 16 . 1 1 38 38 LYS N N 38 117.743 117.743 119.498 -1.755 19395 9798 1 16 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.029 0.069 19395 9799 1 16 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.379 -0.075 19395 9800 1 16 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.756 -0.488 19395 9801 1 16 . 1 1 38 38 LYS H H 38 8.336 8.336 7.764 0.572 19395 9802 1 16 . 1 1 39 39 LYS N N 39 122.164 122.164 117.720 4.444 19395 9803 1 16 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.071 0.085 19395 9804 1 16 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.877 0.556 19395 9805 1 16 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.065 0.346 19395 9806 1 16 . 1 1 39 39 LYS H H 39 8.113 8.113 8.172 -0.059 19395 9807 1 16 . 1 1 40 40 TYR N N 40 114.347 114.347 118.386 -4.039 19395 9808 1 16 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.270 0.125 19395 9809 1 16 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.807 -0.157 19395 9810 1 16 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.329 1.367 19395 9811 1 16 . 1 1 40 40 TYR H H 40 7.626 7.626 7.919 -0.293 19395 9812 1 16 . 1 1 41 41 GLY N N 41 109.921 109.921 104.907 5.014 19395 9813 1 16 . 1 1 41 41 GLY CA C 41 46.766 46.766 44.928 1.838 19395 9814 1 16 . 1 1 41 41 GLY H H 41 7.878 7.878 7.420 0.458 19395 9815 1 16 . 1 1 42 42 ALA N N 42 123.757 123.757 124.372 -0.615 19395 9816 1 16 . 1 1 42 42 ALA HA H 42 5.158 5.158 4.639 0.519 19395 9817 1 16 . 1 1 42 42 ALA CA C 42 51.138 51.138 51.702 -0.563 19395 9818 1 16 . 1 1 42 42 ALA CB C 42 19.909 19.909 19.348 0.562 19395 9819 1 16 . 1 1 42 42 ALA H H 42 8.544 8.544 7.754 0.790 19395 9820 1 16 . 1 1 43 43 THR N N 43 109.574 109.574 114.226 -4.652 19395 9821 1 16 . 1 1 43 43 THR HA H 43 4.479 4.479 4.436 0.043 19395 9822 1 16 . 1 1 43 43 THR CA C 43 61.144 61.144 61.251 -0.107 19395 9823 1 16 . 1 1 43 43 THR CB C 43 69.180 69.180 68.450 0.730 19395 9824 1 16 . 1 1 43 43 THR H H 43 7.969 7.969 8.386 -0.417 19395 9825 1 16 . 1 1 44 44 THR N N 44 118.101 118.101 116.349 1.752 19395 9826 1 16 . 1 1 44 44 THR HA H 44 5.226 5.226 5.109 0.117 19395 9827 1 16 . 1 1 44 44 THR CA C 44 62.061 62.061 61.714 0.347 19395 9828 1 16 . 1 1 44 44 THR CB C 44 72.595 72.595 72.302 0.293 19395 9829 1 16 . 1 1 44 44 THR H H 44 7.458 7.458 7.449 0.009 19395 9830 1 16 . 1 1 45 45 VAL N N 45 127.571 127.571 123.501 4.070 19395 9831 1 16 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.469 0.233 19395 9832 1 16 . 1 1 45 45 VAL CA C 45 60.504 60.504 61.034 -0.530 19395 9833 1 16 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.993 2.189 19395 9834 1 16 . 1 1 45 45 VAL H H 45 9.398 9.398 8.991 0.407 19395 9835 1 16 . 1 1 46 46 VAL N N 46 129.011 129.011 121.406 7.605 19395 9836 1 16 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.402 -0.072 19395 9837 1 16 . 1 1 46 46 VAL CA C 46 61.517 61.517 61.932 -0.415 19395 9838 1 16 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.920 2.312 19395 9839 1 16 . 1 1 46 46 VAL H H 46 9.342 9.342 9.120 0.222 19395 9840 1 16 . 1 1 47 47 ARG N N 47 129.852 129.852 119.170 10.682 19395 9841 1 16 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.089 0.206 19395 9842 1 16 . 1 1 47 47 ARG CA C 47 56.019 56.019 56.640 -0.621 19395 9843 1 16 . 1 1 47 47 ARG CB C 47 30.817 30.817 29.636 1.181 19395 9844 1 16 . 1 1 47 47 ARG H H 47 9.037 9.037 8.095 0.942 19395 9845 1 16 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.713 -0.779 19395 9846 1 16 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.359 -1.671 19395 9847 1 16 . 1 1 49 49 CYS CB C 49 41.121 41.121 28.492 12.629 19395 9848 1 16 . 1 1 50 50 GLU N N 50 114.931 114.931 122.127 -7.196 19395 9849 1 16 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.275 -0.189 19395 9850 1 16 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.117 0.183 19395 9851 1 16 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.865 1.580 19395 9852 1 16 . 1 1 50 50 GLU H H 50 8.669 8.669 8.472 0.197 19395 9853 1 16 . 1 1 51 51 VAL N N 51 122.453 122.453 117.497 4.956 19395 9854 1 16 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.125 -0.704 19395 9855 1 16 . 1 1 51 51 VAL CA C 51 64.120 64.120 63.108 1.012 19395 9856 1 16 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.385 -0.355 19395 9857 1 16 . 1 1 51 51 VAL H H 51 8.356 8.356 7.958 0.398 19395 9858 1 16 . 1 1 52 52 THR N N 52 118.382 118.382 114.116 4.266 19395 9859 1 16 . 1 1 52 52 THR HA H 52 4.525 4.525 4.381 0.144 19395 9860 1 16 . 1 1 52 52 THR CA C 52 61.197 61.197 61.504 -0.307 19395 9861 1 16 . 1 1 52 52 THR CB C 52 69.429 69.429 68.475 0.954 19395 9862 1 16 . 1 1 52 52 THR H H 52 8.936 8.936 8.187 0.749 19395 9863 1 16 . 1 1 53 53 TYR N N 53 116.747 116.747 121.733 -4.986 19395 9864 1 16 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.712 0.050 19395 9865 1 16 . 1 1 53 53 TYR CA C 53 55.653 55.653 57.575 -1.922 19395 9866 1 16 . 1 1 53 53 TYR CB C 53 39.833 39.833 40.046 -0.213 19395 9867 1 16 . 1 1 53 53 TYR H H 53 7.040 7.040 7.712 -0.672 19395 9868 1 16 . 1 1 54 54 ASP N N 54 123.720 123.720 125.115 -1.395 19395 9869 1 16 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.219 0.289 19395 9870 1 16 . 1 1 54 54 ASP CA C 54 53.571 53.571 53.953 -0.382 19395 9871 1 16 . 1 1 54 54 ASP CB C 54 41.364 41.364 41.711 -0.347 19395 9872 1 16 . 1 1 54 54 ASP H H 54 9.280 9.280 8.186 1.094 19395 9873 1 16 . 1 1 55 55 LYS N N 55 121.455 121.455 120.333 1.122 19395 9874 1 16 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.181 0.338 19395 9875 1 16 . 1 1 55 55 LYS CA C 55 56.944 56.944 55.264 1.680 19395 9876 1 16 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.750 1.190 19395 9877 1 16 . 1 1 55 55 LYS H H 55 8.497 8.497 8.167 0.330 19395 9878 1 16 . 1 1 56 56 THR N N 56 120.743 120.743 118.966 1.777 19395 9879 1 16 . 1 1 56 56 THR HA H 56 4.120 4.120 4.511 -0.391 19395 9880 1 16 . 1 1 56 56 THR CA C 56 68.652 68.652 63.802 4.850 19395 9881 1 16 . 1 1 56 56 THR CB C 56 66.508 66.508 67.788 -1.280 19395 9882 1 16 . 1 1 56 56 THR H H 56 8.701 8.701 8.308 0.393 19395 9883 1 16 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.457 -0.166 19395 9884 1 16 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.458 0.375 19395 9885 1 16 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.306 0.084 19395 9886 1 16 . 1 1 58 58 LEU N N 58 116.313 116.313 117.558 -1.245 19395 9887 1 16 . 1 1 58 58 LEU HA H 58 4.054 4.054 3.989 0.065 19395 9888 1 16 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.843 1.299 19395 9889 1 16 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.257 0.097 19395 9890 1 16 . 1 1 58 58 LEU H H 58 7.170 7.170 8.604 -1.434 19395 9891 1 16 . 1 1 59 59 GLU N N 59 120.470 120.470 119.908 0.562 19395 9892 1 16 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.073 0.318 19395 9893 1 16 . 1 1 59 59 GLU CA C 59 59.104 59.104 58.645 0.459 19395 9894 1 16 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.006 0.320 19395 9895 1 16 . 1 1 59 59 GLU H H 59 7.794 7.794 8.350 -0.556 19395 9896 1 16 . 1 1 60 60 LYS N N 60 119.911 119.911 119.063 0.848 19395 9897 1 16 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.232 -0.124 19395 9898 1 16 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.290 1.265 19395 9899 1 16 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.019 0.044 19395 9900 1 16 . 1 1 60 60 LYS H H 60 8.246 8.246 7.778 0.468 19395 9901 1 16 . 1 1 61 61 ASP N N 61 119.142 119.142 118.377 0.765 19395 9902 1 16 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.705 0.265 19395 9903 1 16 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.313 -0.534 19395 9904 1 16 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.854 1.033 19395 9905 1 16 . 1 1 61 61 ASP H H 61 7.235 7.235 7.680 -0.445 19395 9906 1 16 . 1 1 62 62 GLY N N 62 105.820 105.820 107.321 -1.501 19395 9907 1 16 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.636 0.406 19395 9908 1 16 . 1 1 62 62 GLY H H 62 7.742 7.742 7.564 0.178 19395 9909 1 16 . 1 1 63 63 ILE N N 63 123.074 123.074 119.937 3.137 19395 9910 1 16 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.142 0.196 19395 9911 1 16 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.138 -0.608 19395 9912 1 16 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.186 -0.668 19395 9913 1 16 . 1 1 63 63 ILE H H 63 7.870 7.870 7.588 0.282 19395 9914 1 16 . 1 1 64 64 THR N N 64 123.510 123.510 122.663 0.847 19395 9915 1 16 . 1 1 64 64 THR HA H 64 4.316 4.316 4.296 0.020 19395 9916 1 16 . 1 1 64 64 THR CA C 64 63.015 63.015 62.531 0.484 19395 9917 1 16 . 1 1 64 64 THR CB C 64 70.376 70.376 69.364 1.012 19395 9918 1 16 . 1 1 64 64 THR H H 64 8.200 8.200 8.709 -0.509 19395 9919 1 16 . 1 1 65 65 VAL N N 65 128.299 128.299 127.630 0.669 19395 9920 1 16 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.109 0.939 19395 9921 1 16 . 1 1 65 65 VAL CA C 65 61.047 61.047 61.668 -0.621 19395 9922 1 16 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.234 0.883 19395 9923 1 16 . 1 1 65 65 VAL H H 65 8.919 8.919 8.621 0.298 19395 9924 1 16 . 1 1 66 66 VAL N N 66 129.962 129.962 129.213 0.749 19395 9925 1 16 . 1 1 66 66 VAL HA H 66 3.927 3.927 3.997 -0.070 19395 9926 1 16 . 1 1 66 66 VAL CA C 66 60.683 60.683 60.526 0.157 19395 9927 1 16 . 1 1 66 66 VAL CB C 66 33.620 33.620 30.192 3.428 19395 9928 1 16 . 1 1 66 66 VAL H H 66 9.145 9.145 7.986 1.159 19395 9929 1 16 . 1 1 67 67 ASP N N 67 126.437 126.437 123.265 3.172 19395 9930 1 16 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.662 0.657 19395 9931 1 16 . 1 1 67 67 ASP CA C 67 54.170 54.170 51.984 2.186 19395 9932 1 16 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.481 1.590 19395 9933 1 16 . 1 1 67 67 ASP H H 67 8.099 8.099 7.081 1.018 19395 9934 1 16 . 1 1 68 68 TRP N N 68 125.863 125.863 120.911 4.952 19395 9935 1 16 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.864 0.676 19395 9936 1 16 . 1 1 68 68 TRP CA C 68 51.631 51.631 54.191 -2.559 19395 9937 1 16 . 1 1 68 68 TRP CB C 68 30.303 30.303 31.703 -1.400 19395 9938 1 16 . 1 1 68 68 TRP H H 68 8.305 8.305 7.469 0.836 19395 9939 1 16 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.569 -0.584 19395 9940 1 16 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.234 -0.291 19395 9941 1 16 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.352 1.192 19395 9942 1 16 . 1 1 70 70 PHE N N 70 113.153 113.153 118.374 -5.221 19395 9943 1 16 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.313 0.447 19395 9944 1 16 . 1 1 70 70 PHE CA C 70 56.067 56.067 58.706 -2.639 19395 9945 1 16 . 1 1 70 70 PHE CB C 70 39.334 39.334 38.940 0.394 19395 9946 1 16 . 1 1 70 70 PHE H H 70 7.237 7.237 8.429 -1.192 19395 9947 1 16 . 1 1 71 71 ASP N N 71 120.632 120.632 120.008 0.624 19395 9948 1 16 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.692 -0.410 19395 9949 1 16 . 1 1 71 71 ASP CA C 71 55.907 55.907 52.832 3.075 19395 9950 1 16 . 1 1 71 71 ASP CB C 71 41.099 41.099 40.079 1.020 19395 9951 1 16 . 1 1 71 71 ASP H H 71 8.514 8.514 8.083 0.431 19395 9952 1 16 . 1 1 73 73 GLY H H 73 8.510 8.510 8.164 0.346 19395 9953 1 16 . 1 1 74 74 ALA N N 74 123.138 123.138 122.842 0.296 19395 9954 1 16 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.881 -0.041 19395 9955 1 16 . 1 1 74 74 ALA CA C 74 50.106 50.106 50.169 -0.063 19395 9956 1 16 . 1 1 74 74 ALA CB C 74 20.264 20.264 19.450 0.814 19395 9957 1 16 . 1 1 74 74 ALA H H 74 7.833 7.833 7.817 0.016 19395 9958 1 16 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.318 0.138 19395 9959 1 16 . 1 1 79 79 LYS N N 79 119.944 119.944 120.793 -0.849 19395 9960 1 16 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.335 -0.395 19395 9961 1 16 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.770 1.054 19395 9962 1 16 . 1 1 79 79 LYS CB C 79 32.310 32.310 33.059 -0.749 19395 9963 1 16 . 1 1 79 79 LYS H H 79 8.425 8.425 7.530 0.895 19395 9964 1 16 . 1 1 80 80 VAL N N 80 116.231 116.231 119.520 -3.289 19395 9965 1 16 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.660 -0.265 19395 9966 1 16 . 1 1 80 80 VAL CA C 80 64.913 64.913 65.665 -0.752 19395 9967 1 16 . 1 1 80 80 VAL CB C 80 31.293 31.293 30.560 0.733 19395 9968 1 16 . 1 1 80 80 VAL H H 80 6.338 6.338 8.282 -1.944 19395 9969 1 16 . 1 1 81 81 VAL N N 81 118.082 118.082 115.941 2.141 19395 9970 1 16 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.667 -0.482 19395 9971 1 16 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.100 2.524 19395 9972 1 16 . 1 1 81 81 VAL CB C 81 31.645 31.645 30.494 1.151 19395 9973 1 16 . 1 1 81 81 VAL H H 81 7.362 7.362 7.924 -0.562 19395 9974 1 16 . 1 1 82 82 GLU N N 82 117.196 117.196 120.298 -3.102 19395 9975 1 16 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.895 0.041 19395 9976 1 16 . 1 1 82 82 GLU CA C 82 59.494 59.494 60.110 -0.616 19395 9977 1 16 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.347 0.104 19395 9978 1 16 . 1 1 82 82 GLU H H 82 7.878 7.878 8.106 -0.228 19395 9979 1 16 . 1 1 83 83 ASP N N 83 121.828 121.828 119.871 1.957 19395 9980 1 16 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.092 0.147 19395 9981 1 16 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.211 1.068 19395 9982 1 16 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.202 -1.053 19395 9983 1 16 . 1 1 83 83 ASP H H 83 8.156 8.156 7.607 0.549 19395 9984 1 16 . 1 1 84 84 TRP N N 84 124.374 124.374 121.942 2.432 19395 9985 1 16 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.191 0.733 19395 9986 1 16 . 1 1 84 84 TRP CA C 84 60.022 60.022 61.001 -0.979 19395 9987 1 16 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.826 -0.016 19395 9988 1 16 . 1 1 84 84 TRP H H 84 8.939 8.939 7.835 1.104 19395 9989 1 16 . 1 1 85 85 LEU N N 85 117.918 117.918 116.978 0.940 19395 9990 1 16 . 1 1 85 85 LEU HA H 85 3.760 3.760 3.953 -0.193 19395 9991 1 16 . 1 1 85 85 LEU CA C 85 57.998 57.998 58.339 -0.341 19395 9992 1 16 . 1 1 85 85 LEU CB C 85 41.329 41.329 41.461 -0.132 19395 9993 1 16 . 1 1 85 85 LEU H H 85 8.723 8.723 8.061 0.662 19395 9994 1 16 . 1 1 86 86 SER N N 86 114.182 114.182 115.062 -0.880 19395 9995 1 16 . 1 1 86 86 SER HA H 86 4.187 4.187 4.223 -0.036 19395 9996 1 16 . 1 1 86 86 SER CA C 86 61.997 61.997 61.604 0.393 19395 9997 1 16 . 1 1 86 86 SER CB C 86 62.984 62.984 63.092 -0.108 19395 9998 1 16 . 1 1 86 86 SER H H 86 8.067 8.067 8.100 -0.033 19395 9999 1 16 . 1 1 87 87 LEU N N 87 125.441 125.441 122.700 2.741 19395 10000 1 16 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.131 0.079 19395 10001 1 16 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.356 0.581 19395 10002 1 16 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.614 0.965 19395 10003 1 16 . 1 1 87 87 LEU H H 87 8.300 8.300 8.229 0.071 19395 10004 1 16 . 1 1 88 88 VAL N N 88 116.784 116.784 116.194 0.590 19395 10005 1 16 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.741 -0.675 19395 10006 1 16 . 1 1 88 88 VAL CA C 88 66.385 66.385 66.765 -0.380 19395 10007 1 16 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.201 -0.437 19395 10008 1 16 . 1 1 88 88 VAL H H 88 8.468 8.468 7.842 0.626 19395 10009 1 16 . 1 1 89 89 LYS N N 89 118.569 118.569 119.520 -0.951 19395 10010 1 16 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.309 -0.284 19395 10011 1 16 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.587 0.889 19395 10012 1 16 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.260 0.596 19395 10013 1 16 . 1 1 89 89 LYS H H 89 7.652 7.652 8.509 -0.857 19395 10014 1 16 . 1 1 90 90 ALA N N 90 119.043 119.043 121.639 -2.596 19395 10015 1 16 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.305 -0.154 19395 10016 1 16 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.928 1.117 19395 10017 1 16 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.713 -1.259 19395 10018 1 16 . 1 1 90 90 ALA H H 90 7.616 7.616 7.969 -0.353 19395 10019 1 16 . 1 1 91 91 LYS N N 91 117.654 117.654 120.371 -2.717 19395 10020 1 16 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.922 0.015 19395 10021 1 16 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.150 -1.395 19395 10022 1 16 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.971 -1.808 19395 10023 1 16 . 1 1 91 91 LYS H H 91 8.658 8.658 8.579 0.079 19395 10024 1 16 . 1 1 92 92 PHE N N 92 113.471 113.471 118.577 -5.106 19395 10025 1 16 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.403 0.216 19395 10026 1 16 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.147 -0.552 19395 10027 1 16 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.249 -1.565 19395 10028 1 16 . 1 1 92 92 PHE H H 92 7.472 7.472 8.401 -0.929 19395 10029 1 16 . 1 1 93 93 CYS N N 93 117.138 117.138 119.090 -1.952 19395 10030 1 16 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.794 0.569 19395 10031 1 16 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.693 2.271 19395 10032 1 16 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.252 0.226 19395 10033 1 16 . 1 1 93 93 CYS H H 93 7.562 7.562 7.398 0.164 19395 10034 1 16 . 1 1 94 94 GLU N N 94 118.594 118.594 120.317 -1.723 19395 10035 1 16 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.307 -0.180 19395 10036 1 16 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.584 1.456 19395 10037 1 16 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.197 -0.124 19395 10038 1 16 . 1 1 94 94 GLU H H 94 8.236 8.236 8.357 -0.121 19395 10039 1 16 . 1 1 95 95 ALA N N 95 121.081 121.081 123.261 -2.180 19395 10040 1 16 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.761 0.116 19395 10041 1 16 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.169 0.200 19395 10042 1 16 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.915 -1.791 19395 10043 1 16 . 1 1 95 95 ALA H H 95 7.898 7.898 7.764 0.134 19395 10044 1 16 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.395 0.428 19395 10045 1 16 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.396 0.571 19395 10046 1 16 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.439 1.117 19395 10047 1 16 . 1 1 97 97 GLY N N 97 113.478 113.478 113.629 -0.151 19395 10048 1 16 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.879 -0.180 19395 10049 1 16 . 1 1 97 97 GLY H H 97 9.198 9.198 8.311 0.887 19395 10050 1 16 . 1 1 98 98 SER N N 98 115.643 115.643 114.177 1.466 19395 10051 1 16 . 1 1 98 98 SER HA H 98 4.560 4.560 4.291 0.269 19395 10052 1 16 . 1 1 98 98 SER CA C 98 58.923 58.923 59.865 -0.942 19395 10053 1 16 . 1 1 98 98 SER CB C 98 64.427 64.427 64.139 0.288 19395 10054 1 16 . 1 1 98 98 SER H H 98 8.066 8.066 8.025 0.041 19395 10055 1 16 . 1 1 99 99 CYS N N 99 115.484 115.484 116.653 -1.169 19395 10056 1 16 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.010 0.387 19395 10057 1 16 . 1 1 99 99 CYS CA C 99 55.787 55.787 56.984 -1.198 19395 10058 1 16 . 1 1 99 99 CYS CB C 99 29.985 29.985 31.629 -1.644 19395 10059 1 16 . 1 1 99 99 CYS H H 99 7.532 7.532 7.812 -0.280 19395 10060 1 16 . 1 1 100 100 VAL N N 100 128.065 128.065 116.714 11.351 19395 10061 1 16 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.301 0.007 19395 10062 1 16 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.931 1.700 19395 10063 1 16 . 1 1 100 100 VAL CB C 100 34.384 34.384 32.362 2.022 19395 10064 1 16 . 1 1 100 100 VAL H H 100 8.392 8.392 8.027 0.365 19395 10065 1 16 . 1 1 101 101 ALA N N 101 130.346 130.346 129.855 0.491 19395 10066 1 16 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.993 0.767 19395 10067 1 16 . 1 1 101 101 ALA CA C 101 50.101 50.101 51.270 -1.169 19395 10068 1 16 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.367 1.751 19395 10069 1 16 . 1 1 101 101 ALA H H 101 8.882 8.882 8.227 0.655 19395 10070 1 16 . 1 1 102 102 VAL N N 102 120.866 120.866 117.592 3.274 19395 10071 1 16 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.626 0.997 19395 10072 1 16 . 1 1 102 102 VAL CA C 102 58.795 58.795 60.150 -1.355 19395 10073 1 16 . 1 1 102 102 VAL CB C 102 35.140 35.140 36.380 -1.240 19395 10074 1 16 . 1 1 102 102 VAL H H 102 9.359 9.359 8.923 0.436 19395 10075 1 16 . 1 1 103 103 HIS N N 103 120.019 120.019 122.757 -2.738 19395 10076 1 16 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.939 -0.156 19395 10077 1 16 . 1 1 103 103 HIS CA C 103 55.292 55.292 55.944 -0.652 19395 10078 1 16 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.668 2.364 19395 10079 1 16 . 1 1 103 103 HIS H H 103 8.749 8.749 8.485 0.264 19395 10080 1 16 . 1 1 104 104 CYS N N 104 118.175 118.175 125.141 -6.966 19395 10081 1 16 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.643 0.054 19395 10082 1 16 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.694 -1.429 19395 10083 1 16 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.588 2.591 19395 10084 1 16 . 1 1 104 104 CYS H H 104 8.428 8.428 8.320 0.108 19395 10085 1 16 . 1 1 105 105 VAL N N 105 125.962 125.962 126.108 -0.146 19395 10086 1 16 . 1 1 105 105 VAL HA H 105 4.219 4.219 3.921 0.298 19395 10087 1 16 . 1 1 105 105 VAL CA C 105 66.483 66.483 63.890 2.593 19395 10088 1 16 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.370 0.013 19395 10089 1 16 . 1 1 105 105 VAL H H 105 8.422 8.422 8.601 -0.179 19395 10090 1 16 . 1 1 106 106 ALA N N 106 123.180 123.180 119.193 3.987 19395 10091 1 16 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.331 0.364 19395 10092 1 16 . 1 1 106 106 ALA CA C 106 52.862 52.862 52.522 0.340 19395 10093 1 16 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.552 0.570 19395 10094 1 16 . 1 1 106 106 ALA H H 106 9.997 9.997 8.225 1.772 19395 10095 1 16 . 1 1 107 107 GLY N N 107 109.076 109.076 106.814 2.262 19395 10096 1 16 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.704 1.915 19395 10097 1 16 . 1 1 107 107 GLY H H 107 8.019 8.019 7.840 0.179 19395 10098 1 16 . 1 1 108 108 LEU N N 108 117.413 117.413 123.282 -5.869 19395 10099 1 16 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.802 0.662 19395 10100 1 16 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.364 0.418 19395 10101 1 16 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.605 4.215 19395 10102 1 16 . 1 1 108 108 LEU H H 108 7.598 7.598 8.398 -0.800 19395 10103 1 16 . 1 1 109 109 GLY N N 109 111.143 111.143 107.163 3.980 19395 10104 1 16 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.767 -0.126 19395 10105 1 16 . 1 1 109 109 GLY H H 109 10.576 10.576 8.685 1.891 19395 10106 1 16 . 1 1 110 110 ARG N N 110 127.464 127.464 123.530 3.934 19395 10107 1 16 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.785 -0.230 19395 10108 1 16 . 1 1 110 110 ARG CA C 110 60.426 60.426 59.033 1.393 19395 10109 1 16 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.225 2.958 19395 10110 1 16 . 1 1 110 110 ARG H H 110 10.234 10.234 8.400 1.834 19395 10111 1 16 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.275 -0.391 19395 10112 1 16 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.574 0.958 19395 10113 1 16 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.549 -0.640 19395 10114 1 16 . 1 1 113 113 VAL N N 113 116.720 116.720 119.781 -3.061 19395 10115 1 16 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.645 -0.085 19395 10116 1 16 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.734 -0.004 19395 10117 1 16 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.148 -0.625 19395 10118 1 16 . 1 1 113 113 VAL H H 113 8.340 8.340 8.627 -0.287 19395 10119 1 16 . 1 1 114 114 LEU N N 114 119.045 119.045 119.219 -0.174 19395 10120 1 16 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.223 -0.565 19395 10121 1 16 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.017 0.013 19395 10122 1 16 . 1 1 114 114 LEU CB C 114 38.799 38.799 40.609 -1.810 19395 10123 1 16 . 1 1 114 114 LEU H H 114 6.990 6.990 8.544 -1.554 19395 10124 1 16 . 1 1 115 115 VAL N N 115 120.270 120.270 117.426 2.844 19395 10125 1 16 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.791 -0.748 19395 10126 1 16 . 1 1 115 115 VAL CA C 115 67.509 67.509 65.841 1.668 19395 10127 1 16 . 1 1 115 115 VAL CB C 115 30.787 30.787 30.293 0.494 19395 10128 1 16 . 1 1 115 115 VAL H H 115 7.188 7.188 7.864 -0.676 19395 10129 1 16 . 1 1 116 116 ALA N N 116 121.280 121.280 122.068 -0.788 19395 10130 1 16 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.095 -0.334 19395 10131 1 16 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.311 0.546 19395 10132 1 16 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.405 -0.537 19395 10133 1 16 . 1 1 116 116 ALA H H 116 8.649 8.649 8.324 0.325 19395 10134 1 16 . 1 1 117 117 LEU N N 117 116.557 116.557 120.545 -3.988 19395 10135 1 16 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.973 -0.205 19395 10136 1 16 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.758 0.602 19395 10137 1 16 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.862 2.205 19395 10138 1 16 . 1 1 117 117 LEU H H 117 8.048 8.048 7.612 0.436 19395 10139 1 16 . 1 1 118 118 ALA N N 118 119.916 119.916 120.348 -0.432 19395 10140 1 16 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.528 0.541 19395 10141 1 16 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.310 1.054 19395 10142 1 16 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.240 1.387 19395 10143 1 16 . 1 1 118 118 ALA H H 118 7.691 7.691 6.760 0.931 19395 10144 1 16 . 1 1 119 119 LEU N N 119 116.962 116.962 119.521 -2.559 19395 10145 1 16 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.087 -0.212 19395 10146 1 16 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.727 0.698 19395 10147 1 16 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.777 -1.992 19395 10148 1 16 . 1 1 119 119 LEU H H 119 7.988 7.988 7.691 0.297 19395 10149 1 16 . 1 1 120 120 ILE N N 120 123.209 123.209 119.636 3.573 19395 10150 1 16 . 1 1 120 120 ILE HA H 120 4.749 4.749 4.018 0.731 19395 10151 1 16 . 1 1 120 120 ILE CA C 120 64.104 64.104 63.626 0.478 19395 10152 1 16 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.740 1.502 19395 10153 1 16 . 1 1 120 120 ILE H H 120 8.643 8.643 8.043 0.600 19395 10154 1 16 . 1 1 121 121 GLU N N 121 121.219 121.219 118.653 2.566 19395 10155 1 16 . 1 1 121 121 GLU HA H 121 4.508 4.508 3.982 0.526 19395 10156 1 16 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.025 0.114 19395 10157 1 16 . 1 1 121 121 GLU CB C 121 29.233 29.233 29.142 0.091 19395 10158 1 16 . 1 1 121 121 GLU H H 121 8.680 8.680 7.859 0.821 19395 10159 1 16 . 1 1 122 122 SER N N 122 114.306 114.306 112.451 1.855 19395 10160 1 16 . 1 1 122 122 SER HA H 122 4.783 4.783 4.295 0.488 19395 10161 1 16 . 1 1 122 122 SER CA C 122 58.581 58.581 59.883 -1.302 19395 10162 1 16 . 1 1 122 122 SER CB C 122 64.656 64.656 63.686 0.970 19395 10163 1 16 . 1 1 122 122 SER H H 122 7.834 7.834 7.827 0.007 19395 10164 1 16 . 1 1 123 123 GLY N N 123 108.666 108.666 109.970 -1.304 19395 10165 1 16 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.685 0.395 19395 10166 1 16 . 1 1 123 123 GLY H H 123 7.902 7.902 7.698 0.204 19395 10167 1 16 . 1 1 124 124 MET N N 124 123.358 123.358 119.842 3.516 19395 10168 1 16 . 1 1 124 124 MET HA H 124 4.258 4.258 4.714 -0.456 19395 10169 1 16 . 1 1 124 124 MET CA C 124 56.698 56.698 53.453 3.245 19395 10170 1 16 . 1 1 124 124 MET CB C 124 34.104 34.104 35.931 -1.827 19395 10171 1 16 . 1 1 124 124 MET H H 124 7.970 7.970 7.396 0.574 19395 10172 1 16 . 1 1 125 125 LYS N N 125 125.848 125.848 124.002 1.846 19395 10173 1 16 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.405 -0.111 19395 10174 1 16 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.274 0.635 19395 10175 1 16 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.105 0.632 19395 10176 1 16 . 1 1 125 125 LYS H H 125 8.903 8.903 8.449 0.454 19395 10177 1 16 . 1 1 126 126 TYR N N 126 124.016 124.016 128.546 -4.530 19395 10178 1 16 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.948 0.112 19395 10179 1 16 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.635 -0.900 19395 10180 1 16 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.733 0.209 19395 10181 1 16 . 1 1 126 126 TYR H H 126 9.242 9.242 9.178 0.064 19395 10182 1 16 . 1 1 127 127 GLU N N 127 119.702 119.702 117.934 1.768 19395 10183 1 16 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.188 0.205 19395 10184 1 16 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.554 0.661 19395 10185 1 16 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.543 0.442 19395 10186 1 16 . 1 1 127 127 GLU H H 127 9.102 9.102 8.681 0.421 19395 10187 1 16 . 1 1 128 128 ASP N N 128 118.661 118.661 119.250 -0.589 19395 10188 1 16 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.336 0.075 19395 10189 1 16 . 1 1 128 128 ASP CA C 128 56.574 56.574 56.876 -0.302 19395 10190 1 16 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.579 -0.473 19395 10191 1 16 . 1 1 128 128 ASP H H 128 6.782 6.782 8.031 -1.249 19395 10192 1 16 . 1 1 129 129 ALA N N 129 125.068 125.068 122.642 2.426 19395 10193 1 16 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.011 0.216 19395 10194 1 16 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.269 0.143 19395 10195 1 16 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.423 -0.111 19395 10196 1 16 . 1 1 129 129 ALA H H 129 8.365 8.365 8.433 -0.068 19395 10197 1 16 . 1 1 130 130 ILE N N 130 115.533 115.533 119.316 -3.783 19395 10198 1 16 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.653 -0.162 19395 10199 1 16 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.842 1.274 19395 10200 1 16 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.269 0.517 19395 10201 1 16 . 1 1 130 130 ILE H H 130 8.044 8.044 8.419 -0.375 19395 10202 1 16 . 1 1 131 131 GLN N N 131 118.503 118.503 117.908 0.595 19395 10203 1 16 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.991 0.025 19395 10204 1 16 . 1 1 131 131 GLN CA C 131 58.791 58.791 58.359 0.432 19395 10205 1 16 . 1 1 131 131 GLN CB C 131 28.439 28.439 27.914 0.525 19395 10206 1 16 . 1 1 131 131 GLN H H 131 7.426 7.426 7.935 -0.509 19395 10207 1 16 . 1 1 132 132 PHE N N 132 120.679 120.679 121.450 -0.771 19395 10208 1 16 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.254 0.069 19395 10209 1 16 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.414 -0.239 19395 10210 1 16 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.072 0.778 19395 10211 1 16 . 1 1 132 132 PHE H H 132 8.416 8.416 7.793 0.623 19395 10212 1 16 . 1 1 133 133 ILE N N 133 116.466 116.466 115.798 0.668 19395 10213 1 16 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.577 -0.088 19395 10214 1 16 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.097 -0.100 19395 10215 1 16 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.716 -0.155 19395 10216 1 16 . 1 1 133 133 ILE H H 133 7.964 7.964 8.025 -0.061 19395 10217 1 16 . 1 1 134 134 ARG N N 134 119.204 119.204 121.125 -1.921 19395 10218 1 16 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.504 -0.182 19395 10219 1 16 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.582 0.578 19395 10220 1 16 . 1 1 134 134 ARG CB C 134 30.212 30.212 31.147 -0.935 19395 10221 1 16 . 1 1 134 134 ARG H H 134 8.449 8.449 8.417 0.032 19395 10222 1 16 . 1 1 135 135 GLN N N 135 117.511 117.511 118.799 -1.288 19395 10223 1 16 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.238 -0.201 19395 10224 1 16 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.012 0.325 19395 10225 1 16 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.773 -0.335 19395 10226 1 16 . 1 1 135 135 GLN H H 135 7.829 7.829 7.984 -0.155 19395 10227 1 16 . 1 1 136 136 LYS N N 136 116.364 116.364 117.541 -1.177 19395 10228 1 16 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.345 -0.051 19395 10229 1 16 . 1 1 136 136 LYS CA C 136 56.209 56.209 56.025 0.184 19395 10230 1 16 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.114 0.865 19395 10231 1 16 . 1 1 136 136 LYS H H 136 7.280 7.280 7.892 -0.612 19395 10232 1 16 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.248 -0.403 19395 10233 1 16 . 1 1 140 140 ALA N N 140 121.841 121.841 127.862 -6.021 19395 10234 1 16 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.239 0.117 19395 10235 1 16 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.943 -0.616 19395 10236 1 16 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.706 -0.132 19395 10237 1 16 . 1 1 140 140 ALA H H 140 7.553 7.553 7.998 -0.445 19395 10238 1 16 . 1 1 141 141 ILE N N 141 113.228 113.228 117.293 -4.065 19395 10239 1 16 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.093 -0.755 19395 10240 1 16 . 1 1 141 141 ILE CA C 141 65.889 65.889 59.704 6.185 19395 10241 1 16 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.405 -4.217 19395 10242 1 16 . 1 1 141 141 ILE H H 141 8.744 8.744 8.208 0.536 19395 10243 1 16 . 1 1 142 142 ASN N N 142 126.808 126.808 118.216 8.592 19395 10244 1 16 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.444 0.279 19395 10245 1 16 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.533 -3.450 19395 10246 1 16 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.976 -1.046 19395 10247 1 16 . 1 1 142 142 ASN H H 142 8.538 8.538 8.110 0.428 19395 10248 1 16 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.935 0.232 19395 10249 1 16 . 1 1 145 145 GLN N N 145 120.931 120.931 117.656 3.275 19395 10250 1 16 . 1 1 145 145 GLN HA H 145 3.735 3.735 3.962 -0.227 19395 10251 1 16 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.480 0.355 19395 10252 1 16 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.755 0.049 19395 10253 1 16 . 1 1 145 145 GLN H H 145 8.737 8.737 8.541 0.196 19395 10254 1 16 . 1 1 146 146 LEU N N 146 122.433 122.433 120.134 2.299 19395 10255 1 16 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.249 -0.274 19395 10256 1 16 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.346 0.667 19395 10257 1 16 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.892 -0.095 19395 10258 1 16 . 1 1 146 146 LEU H H 146 8.917 8.917 7.932 0.985 19395 10259 1 16 . 1 1 147 147 THR N N 147 115.378 115.378 113.815 1.563 19395 10260 1 16 . 1 1 147 147 THR HA H 147 3.936 3.936 3.855 0.081 19395 10261 1 16 . 1 1 147 147 THR CA C 147 66.512 66.512 66.349 0.163 19395 10262 1 16 . 1 1 147 147 THR CB C 147 68.865 68.865 68.586 0.279 19395 10263 1 16 . 1 1 147 147 THR H H 147 7.948 7.948 7.849 0.099 19395 10264 1 16 . 1 1 148 148 TYR N N 148 120.402 120.402 124.374 -3.972 19395 10265 1 16 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.080 0.002 19395 10266 1 16 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.725 -0.530 19395 10267 1 16 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.069 -0.092 19395 10268 1 16 . 1 1 148 148 TYR H H 148 7.366 7.366 8.525 -1.159 19395 10269 1 16 . 1 1 149 149 LEU N N 149 119.957 119.957 118.709 1.248 19395 10270 1 16 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.509 0.219 19395 10271 1 16 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.491 1.050 19395 10272 1 16 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.624 1.939 19395 10273 1 16 . 1 1 149 149 LEU H H 149 7.968 7.968 7.463 0.505 19395 10274 1 16 . 1 1 150 150 GLU N N 150 120.132 120.132 117.714 2.418 19395 10275 1 16 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.515 -1.132 19395 10276 1 16 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.716 -0.254 19395 10277 1 16 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.666 -0.085 19395 10278 1 16 . 1 1 150 150 GLU H H 150 8.305 8.305 7.380 0.925 19395 10279 1 16 . 1 1 151 151 LYS N N 151 114.600 114.600 115.765 -1.165 19395 10280 1 16 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.126 -0.055 19395 10281 1 16 . 1 1 151 151 LYS CA C 151 55.632 55.632 57.146 -1.514 19395 10282 1 16 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.214 -0.267 19395 10283 1 16 . 1 1 151 151 LYS H H 151 7.106 7.106 7.560 -0.454 19395 10284 1 16 . 1 1 152 152 TYR N N 152 123.664 123.664 122.196 1.468 19395 10285 1 16 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.154 -0.379 19395 10286 1 16 . 1 1 152 152 TYR CA C 152 59.659 59.659 57.953 1.706 19395 10287 1 16 . 1 1 152 152 TYR CB C 152 38.245 38.245 39.007 -0.762 19395 10288 1 16 . 1 1 152 152 TYR H H 152 7.187 7.187 7.575 -0.388 19395 10289 1 16 . 1 1 153 153 ARG N N 153 130.321 130.321 124.684 5.637 19395 10290 1 16 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.306 0.459 19395 10291 1 16 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.723 -0.210 19395 10292 1 16 . 1 1 153 153 ARG CB C 153 30.180 30.180 30.620 -0.440 19395 10293 1 16 . 1 1 153 153 ARG H H 153 7.760 7.760 7.777 -0.017 19395 10294 1 16 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.331 0.309 19395 10295 1 16 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.376 -0.321 19395 10296 1 16 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.530 1.073 19395 10297 1 16 . 1 1 155 155 LYS N N 155 122.066 122.066 121.880 0.186 19395 10298 1 16 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.030 0.408 19395 10299 1 16 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.734 -0.812 19395 10300 1 16 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.307 1.136 19395 10301 1 16 . 1 1 155 155 LYS H H 155 9.586 9.586 8.310 1.276 19395 10302 1 16 . 1 1 156 156 GLN N N 156 117.702 117.702 115.597 2.105 19395 10303 1 16 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.039 0.327 19395 10304 1 16 . 1 1 156 156 GLN CA C 156 56.549 56.549 56.722 -0.173 19395 10305 1 16 . 1 1 156 156 GLN CB C 156 26.728 26.728 26.368 0.360 19395 10306 1 16 . 1 1 156 156 GLN H H 156 8.334 8.334 8.203 0.131 19395 10307 1 16 . 1 1 157 157 ARG N N 157 117.466 117.466 118.876 -1.410 19395 10308 1 16 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.319 -0.164 19395 10309 1 16 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.529 0.493 19395 10310 1 16 . 1 1 157 157 ARG CB C 157 30.769 30.769 31.066 -0.297 19395 10311 1 16 . 1 1 157 157 ARG H H 157 8.983 8.983 8.519 0.464 19395 10312 1 16 . 1 1 158 158 LEU N N 158 117.973 117.973 118.623 -0.650 19395 10313 1 16 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.274 0.355 19395 10314 1 16 . 1 1 158 158 LEU CA C 158 53.469 53.469 57.047 -3.579 19395 10315 1 16 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.263 -0.758 19395 10316 1 16 . 1 1 158 158 LEU H H 158 8.123 8.123 7.892 0.231 19395 10317 1 16 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.303 -0.190 19395 10318 1 16 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.720 1.767 19395 10319 1 16 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.864 -1.690 19395 10320 1 16 . 1 1 161 161 LYS H H 161 7.856 7.856 8.297 -0.441 19395 10321 1 17 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.452 -0.105 19395 10322 1 17 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.834 -0.296 19395 10323 1 17 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.199 -0.407 19395 10324 1 17 . 1 1 8 8 ALA N N 8 126.708 126.708 127.092 -0.384 19395 10325 1 17 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.856 -0.245 19395 10326 1 17 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.276 1.032 19395 10327 1 17 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.131 -0.926 19395 10328 1 17 . 1 1 8 8 ALA H H 8 8.399 8.399 8.252 0.147 19395 10329 1 17 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.241 0.410 19395 10330 1 17 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.284 0.299 19395 10331 1 17 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.769 -0.258 19395 10332 1 17 . 1 1 10 10 VAL N N 10 118.581 118.581 119.335 -0.754 19395 10333 1 17 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.354 -0.053 19395 10334 1 17 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.429 -0.596 19395 10335 1 17 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.705 -0.028 19395 10336 1 17 . 1 1 10 10 VAL H H 10 8.025 8.025 7.932 0.093 19395 10337 1 17 . 1 1 11 11 GLU N N 11 129.673 129.673 129.230 0.443 19395 10338 1 17 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.024 0.061 19395 10339 1 17 . 1 1 11 11 GLU CA C 11 54.747 54.747 55.107 -0.360 19395 10340 1 17 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.412 0.717 19395 10341 1 17 . 1 1 11 11 GLU H H 11 8.723 8.723 8.845 -0.122 19395 10342 1 17 . 1 1 12 12 VAL N N 12 127.093 127.093 127.938 -0.845 19395 10343 1 17 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.535 -0.253 19395 10344 1 17 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.162 1.434 19395 10345 1 17 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.335 1.211 19395 10346 1 17 . 1 1 12 12 VAL H H 12 9.247 9.247 8.833 0.414 19395 10347 1 17 . 1 1 13 13 SER N N 13 123.385 123.385 125.334 -1.949 19395 10348 1 17 . 1 1 13 13 SER HA H 13 5.302 5.302 4.853 0.449 19395 10349 1 17 . 1 1 13 13 SER CA C 13 56.409 56.409 58.306 -1.897 19395 10350 1 17 . 1 1 13 13 SER CB C 13 64.981 64.981 63.602 1.379 19395 10351 1 17 . 1 1 13 13 SER H H 13 9.001 9.001 8.699 0.302 19395 10352 1 17 . 1 1 14 14 TYR N N 14 124.413 124.413 127.949 -3.536 19395 10353 1 17 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.533 0.004 19395 10354 1 17 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.691 0.543 19395 10355 1 17 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.879 1.700 19395 10356 1 17 . 1 1 14 14 TYR H H 14 8.347 8.347 8.948 -0.601 19395 10357 1 17 . 1 1 15 15 LYS N N 15 125.130 125.130 118.561 6.569 19395 10358 1 17 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.861 -0.462 19395 10359 1 17 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.411 -0.037 19395 10360 1 17 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.010 -2.115 19395 10361 1 17 . 1 1 15 15 LYS H H 15 8.820 8.820 7.990 0.830 19395 10362 1 17 . 1 1 16 16 HIS N N 16 121.278 121.278 116.582 4.696 19395 10363 1 17 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.787 -0.337 19395 10364 1 17 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.373 1.365 19395 10365 1 17 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.841 0.388 19395 10366 1 17 . 1 1 16 16 HIS H H 16 8.784 8.784 8.214 0.570 19395 10367 1 17 . 1 1 17 17 MET N N 17 120.113 120.113 114.570 5.543 19395 10368 1 17 . 1 1 17 17 MET HA H 17 2.326 2.326 4.844 -2.518 19395 10369 1 17 . 1 1 17 17 MET CA C 17 54.714 54.714 55.294 -0.580 19395 10370 1 17 . 1 1 17 17 MET CB C 17 34.848 34.848 35.727 -0.879 19395 10371 1 17 . 1 1 17 17 MET H H 17 8.106 8.106 7.394 0.712 19395 10372 1 17 . 1 1 18 18 ARG N N 18 121.252 121.252 120.963 0.289 19395 10373 1 17 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.379 -0.540 19395 10374 1 17 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.527 0.267 19395 10375 1 17 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.422 0.394 19395 10376 1 17 . 1 1 18 18 ARG H H 18 5.904 5.904 8.632 -2.728 19395 10377 1 17 . 1 1 19 19 PHE N N 19 121.195 121.195 123.025 -1.830 19395 10378 1 17 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.460 0.540 19395 10379 1 17 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.224 0.394 19395 10380 1 17 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.094 0.521 19395 10381 1 17 . 1 1 19 19 PHE H H 19 9.178 9.178 9.402 -0.224 19395 10382 1 17 . 1 1 20 20 LEU N N 20 123.804 123.804 121.904 1.900 19395 10383 1 17 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.228 -0.118 19395 10384 1 17 . 1 1 20 20 LEU CA C 20 52.568 52.568 54.066 -1.498 19395 10385 1 17 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.847 2.036 19395 10386 1 17 . 1 1 20 20 LEU H H 20 8.601 8.601 9.445 -0.844 19395 10387 1 17 . 1 1 21 21 ILE N N 21 126.661 126.661 122.834 3.827 19395 10388 1 17 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.259 -0.128 19395 10389 1 17 . 1 1 21 21 ILE CA C 21 60.828 60.828 59.298 1.530 19395 10390 1 17 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.517 0.692 19395 10391 1 17 . 1 1 21 21 ILE H H 21 9.323 9.323 9.327 -0.004 19395 10392 1 17 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.408 -0.079 19395 10393 1 17 . 1 1 25 25 PRO CA C 25 61.818 61.818 62.968 -1.150 19395 10394 1 17 . 1 1 25 25 PRO CB C 25 32.524 32.524 32.588 -0.064 19395 10395 1 17 . 1 1 26 26 THR N N 26 131.812 131.812 111.561 20.251 19395 10396 1 17 . 1 1 26 26 THR H H 26 6.781 6.781 8.110 -1.329 19395 10397 1 17 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.215 0.129 19395 10398 1 17 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.873 0.148 19395 10399 1 17 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.758 -0.575 19395 10400 1 17 . 1 1 29 29 THR N N 29 104.375 104.375 110.639 -6.264 19395 10401 1 17 . 1 1 29 29 THR HA H 29 4.847 4.847 4.302 0.545 19395 10402 1 17 . 1 1 29 29 THR CA C 29 60.370 60.370 61.169 -0.799 19395 10403 1 17 . 1 1 29 29 THR CB C 29 69.135 69.135 69.279 -0.144 19395 10404 1 17 . 1 1 29 29 THR H H 29 7.642 7.642 7.904 -0.262 19395 10405 1 17 . 1 1 30 30 LEU N N 30 124.383 124.383 120.853 3.530 19395 10406 1 17 . 1 1 30 30 LEU HA H 30 4.013 4.013 3.971 0.042 19395 10407 1 17 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.160 0.550 19395 10408 1 17 . 1 1 30 30 LEU CB C 30 42.354 42.354 41.066 1.288 19395 10409 1 17 . 1 1 30 30 LEU H H 30 7.356 7.356 8.206 -0.850 19395 10410 1 17 . 1 1 31 31 SER N N 31 111.792 111.792 115.070 -3.278 19395 10411 1 17 . 1 1 31 31 SER H H 31 6.915 6.915 8.362 -1.447 19395 10412 1 17 . 1 1 32 32 THR N N 32 116.374 116.374 115.581 0.793 19395 10413 1 17 . 1 1 32 32 THR HA H 32 4.109 4.109 4.092 0.017 19395 10414 1 17 . 1 1 32 32 THR CA C 32 65.142 65.142 65.900 -0.758 19395 10415 1 17 . 1 1 32 32 THR CB C 32 68.628 68.628 68.269 0.359 19395 10416 1 17 . 1 1 32 32 THR H H 32 7.589 7.589 8.303 -0.714 19395 10417 1 17 . 1 1 33 33 PHE N N 33 124.790 124.790 122.976 1.814 19395 10418 1 17 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.218 0.257 19395 10419 1 17 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.189 0.861 19395 10420 1 17 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.395 1.444 19395 10421 1 17 . 1 1 33 33 PHE H H 33 7.644 7.644 7.828 -0.184 19395 10422 1 17 . 1 1 34 34 ILE N N 34 117.776 117.776 118.810 -1.034 19395 10423 1 17 . 1 1 34 34 ILE HA H 34 3.347 3.347 2.936 0.411 19395 10424 1 17 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.218 1.804 19395 10425 1 17 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.407 -5.761 19395 10426 1 17 . 1 1 34 34 ILE H H 34 8.535 8.535 8.592 -0.057 19395 10427 1 17 . 1 1 35 35 GLU N N 35 119.202 119.202 118.938 0.264 19395 10428 1 17 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.912 0.015 19395 10429 1 17 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.625 0.121 19395 10430 1 17 . 1 1 35 35 GLU CB C 35 29.375 29.375 29.006 0.369 19395 10431 1 17 . 1 1 35 35 GLU H H 35 7.512 7.512 7.595 -0.083 19395 10432 1 17 . 1 1 36 36 ASP N N 36 121.117 121.117 120.518 0.599 19395 10433 1 17 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.510 0.044 19395 10434 1 17 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.341 0.597 19395 10435 1 17 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.828 -0.709 19395 10436 1 17 . 1 1 36 36 ASP H H 36 8.049 8.049 7.921 0.128 19395 10437 1 17 . 1 1 37 37 LEU N N 37 119.257 119.257 116.400 2.857 19395 10438 1 17 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.294 -0.541 19395 10439 1 17 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.784 0.719 19395 10440 1 17 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.245 -1.285 19395 10441 1 17 . 1 1 37 37 LEU H H 37 8.016 8.016 7.556 0.460 19395 10442 1 17 . 1 1 38 38 LYS N N 38 117.743 117.743 119.632 -1.889 19395 10443 1 17 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.120 -0.022 19395 10444 1 17 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.340 -0.036 19395 10445 1 17 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.760 -0.492 19395 10446 1 17 . 1 1 38 38 LYS H H 38 8.336 8.336 7.916 0.420 19395 10447 1 17 . 1 1 39 39 LYS N N 39 122.164 122.164 117.897 4.267 19395 10448 1 17 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.133 0.023 19395 10449 1 17 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.765 0.668 19395 10450 1 17 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.171 0.240 19395 10451 1 17 . 1 1 39 39 LYS H H 39 8.113 8.113 8.184 -0.071 19395 10452 1 17 . 1 1 40 40 TYR N N 40 114.347 114.347 119.503 -5.156 19395 10453 1 17 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.367 0.028 19395 10454 1 17 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.708 -0.058 19395 10455 1 17 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.241 1.455 19395 10456 1 17 . 1 1 40 40 TYR H H 40 7.626 7.626 7.996 -0.370 19395 10457 1 17 . 1 1 41 41 GLY N N 41 109.921 109.921 104.635 5.286 19395 10458 1 17 . 1 1 41 41 GLY CA C 41 46.766 46.766 45.117 1.649 19395 10459 1 17 . 1 1 41 41 GLY H H 41 7.878 7.878 7.346 0.532 19395 10460 1 17 . 1 1 42 42 ALA N N 42 123.757 123.757 122.957 0.800 19395 10461 1 17 . 1 1 42 42 ALA HA H 42 5.158 5.158 5.069 0.089 19395 10462 1 17 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.833 0.305 19395 10463 1 17 . 1 1 42 42 ALA CB C 42 19.909 19.909 21.153 -1.244 19395 10464 1 17 . 1 1 42 42 ALA H H 42 8.544 8.544 8.318 0.226 19395 10465 1 17 . 1 1 43 43 THR N N 43 109.574 109.574 114.968 -5.394 19395 10466 1 17 . 1 1 43 43 THR HA H 43 4.479 4.479 4.415 0.064 19395 10467 1 17 . 1 1 43 43 THR CA C 43 61.144 61.144 61.559 -0.415 19395 10468 1 17 . 1 1 43 43 THR CB C 43 69.180 69.180 68.278 0.902 19395 10469 1 17 . 1 1 43 43 THR H H 43 7.969 7.969 8.278 -0.309 19395 10470 1 17 . 1 1 44 44 THR N N 44 118.101 118.101 117.146 0.955 19395 10471 1 17 . 1 1 44 44 THR HA H 44 5.226 5.226 5.074 0.152 19395 10472 1 17 . 1 1 44 44 THR CA C 44 62.061 62.061 61.976 0.085 19395 10473 1 17 . 1 1 44 44 THR CB C 44 72.595 72.595 72.645 -0.050 19395 10474 1 17 . 1 1 44 44 THR H H 44 7.458 7.458 7.500 -0.042 19395 10475 1 17 . 1 1 45 45 VAL N N 45 127.571 127.571 124.821 2.750 19395 10476 1 17 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.441 0.261 19395 10477 1 17 . 1 1 45 45 VAL CA C 45 60.504 60.504 61.012 -0.508 19395 10478 1 17 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.927 2.255 19395 10479 1 17 . 1 1 45 45 VAL H H 45 9.398 9.398 9.148 0.250 19395 10480 1 17 . 1 1 46 46 VAL N N 46 129.011 129.011 123.013 5.998 19395 10481 1 17 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.307 0.023 19395 10482 1 17 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.121 -0.604 19395 10483 1 17 . 1 1 46 46 VAL CB C 46 32.232 32.232 30.056 2.176 19395 10484 1 17 . 1 1 46 46 VAL H H 46 9.342 9.342 8.992 0.350 19395 10485 1 17 . 1 1 47 47 ARG N N 47 129.852 129.852 119.428 10.424 19395 10486 1 17 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.001 0.294 19395 10487 1 17 . 1 1 47 47 ARG CA C 47 56.019 56.019 57.231 -1.212 19395 10488 1 17 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.072 0.745 19395 10489 1 17 . 1 1 47 47 ARG H H 47 9.037 9.037 7.897 1.140 19395 10490 1 17 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.823 -0.889 19395 10491 1 17 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.428 -1.740 19395 10492 1 17 . 1 1 49 49 CYS CB C 49 41.121 41.121 28.894 12.227 19395 10493 1 17 . 1 1 50 50 GLU N N 50 114.931 114.931 121.479 -6.548 19395 10494 1 17 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.293 -0.207 19395 10495 1 17 . 1 1 50 50 GLU CA C 50 56.300 56.300 55.894 0.406 19395 10496 1 17 . 1 1 50 50 GLU CB C 50 29.445 29.445 28.366 1.079 19395 10497 1 17 . 1 1 50 50 GLU H H 50 8.669 8.669 8.536 0.133 19395 10498 1 17 . 1 1 51 51 VAL N N 51 122.453 122.453 117.137 5.316 19395 10499 1 17 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.051 -0.630 19395 10500 1 17 . 1 1 51 51 VAL CA C 51 64.120 64.120 63.112 1.008 19395 10501 1 17 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.412 -0.382 19395 10502 1 17 . 1 1 51 51 VAL H H 51 8.356 8.356 7.593 0.763 19395 10503 1 17 . 1 1 52 52 THR N N 52 118.382 118.382 113.862 4.520 19395 10504 1 17 . 1 1 52 52 THR HA H 52 4.525 4.525 4.281 0.244 19395 10505 1 17 . 1 1 52 52 THR CA C 52 61.197 61.197 61.287 -0.090 19395 10506 1 17 . 1 1 52 52 THR CB C 52 69.429 69.429 69.319 0.110 19395 10507 1 17 . 1 1 52 52 THR H H 52 8.936 8.936 8.152 0.784 19395 10508 1 17 . 1 1 53 53 TYR N N 53 116.747 116.747 118.731 -1.984 19395 10509 1 17 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.780 -0.018 19395 10510 1 17 . 1 1 53 53 TYR CA C 53 55.653 55.653 56.203 -0.550 19395 10511 1 17 . 1 1 53 53 TYR CB C 53 39.833 39.833 39.817 0.016 19395 10512 1 17 . 1 1 53 53 TYR H H 53 7.040 7.040 7.410 -0.370 19395 10513 1 17 . 1 1 54 54 ASP N N 54 123.720 123.720 125.344 -1.624 19395 10514 1 17 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.658 -0.150 19395 10515 1 17 . 1 1 54 54 ASP CA C 54 53.571 53.571 54.508 -0.937 19395 10516 1 17 . 1 1 54 54 ASP CB C 54 41.364 41.364 42.587 -1.223 19395 10517 1 17 . 1 1 54 54 ASP H H 54 9.280 9.280 8.620 0.660 19395 10518 1 17 . 1 1 55 55 LYS N N 55 121.455 121.455 123.557 -2.102 19395 10519 1 17 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.351 0.168 19395 10520 1 17 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.987 -0.043 19395 10521 1 17 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.696 1.244 19395 10522 1 17 . 1 1 55 55 LYS H H 55 8.497 8.497 8.363 0.134 19395 10523 1 17 . 1 1 56 56 THR N N 56 120.743 120.743 119.210 1.533 19395 10524 1 17 . 1 1 56 56 THR HA H 56 4.120 4.120 4.510 -0.390 19395 10525 1 17 . 1 1 56 56 THR CA C 56 68.652 68.652 63.263 5.389 19395 10526 1 17 . 1 1 56 56 THR CB C 56 66.508 66.508 67.902 -1.394 19395 10527 1 17 . 1 1 56 56 THR H H 56 8.701 8.701 8.391 0.310 19395 10528 1 17 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.525 -0.234 19395 10529 1 17 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.508 0.325 19395 10530 1 17 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.180 0.210 19395 10531 1 17 . 1 1 58 58 LEU N N 58 116.313 116.313 116.812 -0.499 19395 10532 1 17 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.165 -0.111 19395 10533 1 17 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.419 1.723 19395 10534 1 17 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.305 0.049 19395 10535 1 17 . 1 1 58 58 LEU H H 58 7.170 7.170 8.143 -0.973 19395 10536 1 17 . 1 1 59 59 GLU N N 59 120.470 120.470 120.778 -0.308 19395 10537 1 17 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.064 0.327 19395 10538 1 17 . 1 1 59 59 GLU CA C 59 59.104 59.104 59.047 0.057 19395 10539 1 17 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.252 0.074 19395 10540 1 17 . 1 1 59 59 GLU H H 59 7.794 7.794 8.795 -1.001 19395 10541 1 17 . 1 1 60 60 LYS N N 60 119.911 119.911 118.889 1.022 19395 10542 1 17 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.235 -0.127 19395 10543 1 17 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.460 1.095 19395 10544 1 17 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.014 0.049 19395 10545 1 17 . 1 1 60 60 LYS H H 60 8.246 8.246 7.787 0.459 19395 10546 1 17 . 1 1 61 61 ASP N N 61 119.142 119.142 117.606 1.536 19395 10547 1 17 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.699 0.271 19395 10548 1 17 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.016 -0.237 19395 10549 1 17 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.755 1.132 19395 10550 1 17 . 1 1 61 61 ASP H H 61 7.235 7.235 7.592 -0.357 19395 10551 1 17 . 1 1 62 62 GLY N N 62 105.820 105.820 107.890 -2.070 19395 10552 1 17 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.933 0.109 19395 10553 1 17 . 1 1 62 62 GLY H H 62 7.742 7.742 7.543 0.199 19395 10554 1 17 . 1 1 63 63 ILE N N 63 123.074 123.074 119.453 3.621 19395 10555 1 17 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.091 0.247 19395 10556 1 17 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.163 -0.633 19395 10557 1 17 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.572 -1.054 19395 10558 1 17 . 1 1 63 63 ILE H H 63 7.870 7.870 7.831 0.039 19395 10559 1 17 . 1 1 64 64 THR N N 64 123.510 123.510 122.630 0.880 19395 10560 1 17 . 1 1 64 64 THR HA H 64 4.316 4.316 4.352 -0.036 19395 10561 1 17 . 1 1 64 64 THR CA C 64 63.015 63.015 62.470 0.545 19395 10562 1 17 . 1 1 64 64 THR CB C 64 70.376 70.376 69.049 1.327 19395 10563 1 17 . 1 1 64 64 THR H H 64 8.200 8.200 8.792 -0.592 19395 10564 1 17 . 1 1 65 65 VAL N N 65 128.299 128.299 126.706 1.593 19395 10565 1 17 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.169 0.879 19395 10566 1 17 . 1 1 65 65 VAL CA C 65 61.047 61.047 61.944 -0.897 19395 10567 1 17 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.301 0.816 19395 10568 1 17 . 1 1 65 65 VAL H H 65 8.919 8.919 8.537 0.382 19395 10569 1 17 . 1 1 66 66 VAL N N 66 129.962 129.962 129.793 0.169 19395 10570 1 17 . 1 1 66 66 VAL HA H 66 3.927 3.927 3.912 0.015 19395 10571 1 17 . 1 1 66 66 VAL CA C 66 60.683 60.683 60.111 0.572 19395 10572 1 17 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.220 2.400 19395 10573 1 17 . 1 1 66 66 VAL H H 66 9.145 9.145 7.973 1.172 19395 10574 1 17 . 1 1 67 67 ASP N N 67 126.437 126.437 123.756 2.681 19395 10575 1 17 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.703 0.616 19395 10576 1 17 . 1 1 67 67 ASP CA C 67 54.170 54.170 51.755 2.415 19395 10577 1 17 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.221 1.850 19395 10578 1 17 . 1 1 67 67 ASP H H 67 8.099 8.099 7.120 0.979 19395 10579 1 17 . 1 1 68 68 TRP N N 68 125.863 125.863 121.434 4.429 19395 10580 1 17 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.813 0.727 19395 10581 1 17 . 1 1 68 68 TRP CA C 68 51.631 51.631 54.043 -2.412 19395 10582 1 17 . 1 1 68 68 TRP CB C 68 30.303 30.303 32.273 -1.970 19395 10583 1 17 . 1 1 68 68 TRP H H 68 8.305 8.305 7.377 0.928 19395 10584 1 17 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.596 -0.611 19395 10585 1 17 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.075 -0.132 19395 10586 1 17 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.391 1.153 19395 10587 1 17 . 1 1 70 70 PHE N N 70 113.153 113.153 118.936 -5.783 19395 10588 1 17 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.455 0.305 19395 10589 1 17 . 1 1 70 70 PHE CA C 70 56.067 56.067 57.308 -1.241 19395 10590 1 17 . 1 1 70 70 PHE CB C 70 39.334 39.334 38.857 0.477 19395 10591 1 17 . 1 1 70 70 PHE H H 70 7.237 7.237 8.570 -1.333 19395 10592 1 17 . 1 1 71 71 ASP N N 71 120.632 120.632 119.331 1.301 19395 10593 1 17 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.847 -0.565 19395 10594 1 17 . 1 1 71 71 ASP CA C 71 55.907 55.907 54.920 0.987 19395 10595 1 17 . 1 1 71 71 ASP CB C 71 41.099 41.099 40.124 0.975 19395 10596 1 17 . 1 1 71 71 ASP H H 71 8.514 8.514 8.316 0.198 19395 10597 1 17 . 1 1 73 73 GLY H H 73 8.510 8.510 7.766 0.744 19395 10598 1 17 . 1 1 74 74 ALA N N 74 123.138 123.138 122.698 0.440 19395 10599 1 17 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.223 0.617 19395 10600 1 17 . 1 1 74 74 ALA CA C 74 50.106 50.106 52.213 -2.107 19395 10601 1 17 . 1 1 74 74 ALA CB C 74 20.264 20.264 17.816 2.448 19395 10602 1 17 . 1 1 74 74 ALA H H 74 7.833 7.833 7.698 0.135 19395 10603 1 17 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.028 0.428 19395 10604 1 17 . 1 1 79 79 LYS N N 79 119.944 119.944 121.392 -1.448 19395 10605 1 17 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.519 -0.579 19395 10606 1 17 . 1 1 79 79 LYS CA C 79 58.824 58.824 56.682 2.142 19395 10607 1 17 . 1 1 79 79 LYS CB C 79 32.310 32.310 32.318 -0.008 19395 10608 1 17 . 1 1 79 79 LYS H H 79 8.425 8.425 8.258 0.167 19395 10609 1 17 . 1 1 80 80 VAL N N 80 116.231 116.231 118.830 -2.599 19395 10610 1 17 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.818 -0.423 19395 10611 1 17 . 1 1 80 80 VAL CA C 80 64.913 64.913 65.180 -0.267 19395 10612 1 17 . 1 1 80 80 VAL CB C 80 31.293 31.293 31.221 0.072 19395 10613 1 17 . 1 1 80 80 VAL H H 80 6.338 6.338 8.232 -1.894 19395 10614 1 17 . 1 1 81 81 VAL N N 81 118.082 118.082 115.634 2.448 19395 10615 1 17 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.590 -0.405 19395 10616 1 17 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.436 2.188 19395 10617 1 17 . 1 1 81 81 VAL CB C 81 31.645 31.645 31.110 0.535 19395 10618 1 17 . 1 1 81 81 VAL H H 81 7.362 7.362 7.451 -0.089 19395 10619 1 17 . 1 1 82 82 GLU N N 82 117.196 117.196 119.033 -1.837 19395 10620 1 17 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.904 0.032 19395 10621 1 17 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.894 -0.400 19395 10622 1 17 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.203 0.247 19395 10623 1 17 . 1 1 82 82 GLU H H 82 7.878 7.878 7.907 -0.029 19395 10624 1 17 . 1 1 83 83 ASP N N 83 121.828 121.828 120.040 1.788 19395 10625 1 17 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.253 -0.014 19395 10626 1 17 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.408 0.871 19395 10627 1 17 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.176 -1.027 19395 10628 1 17 . 1 1 83 83 ASP H H 83 8.156 8.156 7.520 0.636 19395 10629 1 17 . 1 1 84 84 TRP N N 84 124.374 124.374 122.080 2.294 19395 10630 1 17 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.206 0.718 19395 10631 1 17 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.577 -0.555 19395 10632 1 17 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.736 0.074 19395 10633 1 17 . 1 1 84 84 TRP H H 84 8.939 8.939 8.081 0.858 19395 10634 1 17 . 1 1 85 85 LEU N N 85 117.918 117.918 117.312 0.606 19395 10635 1 17 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.030 -0.270 19395 10636 1 17 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.297 0.701 19395 10637 1 17 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.343 0.986 19395 10638 1 17 . 1 1 85 85 LEU H H 85 8.723 8.723 7.998 0.725 19395 10639 1 17 . 1 1 86 86 SER N N 86 114.182 114.182 114.496 -0.314 19395 10640 1 17 . 1 1 86 86 SER HA H 86 4.187 4.187 4.142 0.045 19395 10641 1 17 . 1 1 86 86 SER CA C 86 61.997 61.997 61.862 0.135 19395 10642 1 17 . 1 1 86 86 SER CB C 86 62.984 62.984 63.252 -0.267 19395 10643 1 17 . 1 1 86 86 SER H H 86 8.067 8.067 8.032 0.035 19395 10644 1 17 . 1 1 87 87 LEU N N 87 125.441 125.441 122.021 3.420 19395 10645 1 17 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.117 0.093 19395 10646 1 17 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.217 0.720 19395 10647 1 17 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.655 0.924 19395 10648 1 17 . 1 1 87 87 LEU H H 87 8.300 8.300 8.209 0.091 19395 10649 1 17 . 1 1 88 88 VAL N N 88 116.784 116.784 119.570 -2.786 19395 10650 1 17 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.761 -0.695 19395 10651 1 17 . 1 1 88 88 VAL CA C 88 66.385 66.385 66.342 0.043 19395 10652 1 17 . 1 1 88 88 VAL CB C 88 30.764 30.764 30.597 0.167 19395 10653 1 17 . 1 1 88 88 VAL H H 88 8.468 8.468 7.966 0.502 19395 10654 1 17 . 1 1 89 89 LYS N N 89 118.569 118.569 118.717 -0.148 19395 10655 1 17 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.359 -0.334 19395 10656 1 17 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.774 0.702 19395 10657 1 17 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.323 0.533 19395 10658 1 17 . 1 1 89 89 LYS H H 89 7.652 7.652 8.550 -0.898 19395 10659 1 17 . 1 1 90 90 ALA N N 90 119.043 119.043 121.612 -2.569 19395 10660 1 17 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.297 -0.146 19395 10661 1 17 . 1 1 90 90 ALA CA C 90 55.045 55.045 54.029 1.016 19395 10662 1 17 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.660 -1.206 19395 10663 1 17 . 1 1 90 90 ALA H H 90 7.616 7.616 7.936 -0.320 19395 10664 1 17 . 1 1 91 91 LYS N N 91 117.654 117.654 120.462 -2.808 19395 10665 1 17 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.982 -0.045 19395 10666 1 17 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.052 -1.298 19395 10667 1 17 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.982 -1.819 19395 10668 1 17 . 1 1 91 91 LYS H H 91 8.658 8.658 8.575 0.083 19395 10669 1 17 . 1 1 92 92 PHE N N 92 113.471 113.471 118.529 -5.058 19395 10670 1 17 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.399 0.220 19395 10671 1 17 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.192 -0.597 19395 10672 1 17 . 1 1 92 92 PHE CB C 92 37.684 37.684 38.979 -1.295 19395 10673 1 17 . 1 1 92 92 PHE H H 92 7.472 7.472 8.420 -0.948 19395 10674 1 17 . 1 1 93 93 CYS N N 93 117.138 117.138 118.402 -1.264 19395 10675 1 17 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.730 0.633 19395 10676 1 17 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.994 1.970 19395 10677 1 17 . 1 1 93 93 CYS CB C 93 27.478 27.478 28.255 -0.777 19395 10678 1 17 . 1 1 93 93 CYS H H 93 7.562 7.562 7.563 -0.001 19395 10679 1 17 . 1 1 94 94 GLU N N 94 118.594 118.594 120.146 -1.552 19395 10680 1 17 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.280 -0.153 19395 10681 1 17 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.702 1.339 19395 10682 1 17 . 1 1 94 94 GLU CB C 94 30.073 30.073 29.999 0.074 19395 10683 1 17 . 1 1 94 94 GLU H H 94 8.236 8.236 8.402 -0.166 19395 10684 1 17 . 1 1 95 95 ALA N N 95 121.081 121.081 123.080 -1.999 19395 10685 1 17 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.753 0.124 19395 10686 1 17 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.146 0.223 19395 10687 1 17 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.974 -1.850 19395 10688 1 17 . 1 1 95 95 ALA H H 95 7.898 7.898 7.569 0.329 19395 10689 1 17 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.402 0.421 19395 10690 1 17 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.417 0.550 19395 10691 1 17 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.614 0.942 19395 10692 1 17 . 1 1 97 97 GLY N N 97 113.478 113.478 113.261 0.217 19395 10693 1 17 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.698 0.001 19395 10694 1 17 . 1 1 97 97 GLY H H 97 9.198 9.198 8.322 0.876 19395 10695 1 17 . 1 1 98 98 SER N N 98 115.643 115.643 115.192 0.451 19395 10696 1 17 . 1 1 98 98 SER HA H 98 4.560 4.560 4.278 0.282 19395 10697 1 17 . 1 1 98 98 SER CA C 98 58.923 58.923 59.323 -0.400 19395 10698 1 17 . 1 1 98 98 SER CB C 98 64.427 64.427 64.891 -0.464 19395 10699 1 17 . 1 1 98 98 SER H H 98 8.066 8.066 7.398 0.668 19395 10700 1 17 . 1 1 99 99 CYS N N 99 115.484 115.484 117.373 -1.889 19395 10701 1 17 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.327 0.070 19395 10702 1 17 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.349 -1.562 19395 10703 1 17 . 1 1 99 99 CYS CB C 99 29.985 29.985 32.147 -2.162 19395 10704 1 17 . 1 1 99 99 CYS H H 99 7.532 7.532 8.031 -0.499 19395 10705 1 17 . 1 1 100 100 VAL N N 100 128.065 128.065 118.848 9.217 19395 10706 1 17 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.404 -0.096 19395 10707 1 17 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.677 1.954 19395 10708 1 17 . 1 1 100 100 VAL CB C 100 34.384 34.384 34.449 -0.065 19395 10709 1 17 . 1 1 100 100 VAL H H 100 8.392 8.392 8.582 -0.190 19395 10710 1 17 . 1 1 101 101 ALA N N 101 130.346 130.346 131.021 -0.675 19395 10711 1 17 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.801 0.960 19395 10712 1 17 . 1 1 101 101 ALA CA C 101 50.101 50.101 50.871 -0.770 19395 10713 1 17 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.104 2.014 19395 10714 1 17 . 1 1 101 101 ALA H H 101 8.882 8.882 8.504 0.378 19395 10715 1 17 . 1 1 102 102 VAL N N 102 120.866 120.866 117.245 3.621 19395 10716 1 17 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.700 0.923 19395 10717 1 17 . 1 1 102 102 VAL CA C 102 58.795 58.795 60.062 -1.266 19395 10718 1 17 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.939 -0.799 19395 10719 1 17 . 1 1 102 102 VAL H H 102 9.359 9.359 9.070 0.289 19395 10720 1 17 . 1 1 103 103 HIS N N 103 120.019 120.019 122.966 -2.947 19395 10721 1 17 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.695 0.088 19395 10722 1 17 . 1 1 103 103 HIS CA C 103 55.292 55.292 57.137 -1.845 19395 10723 1 17 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.527 2.505 19395 10724 1 17 . 1 1 103 103 HIS H H 103 8.749 8.749 8.508 0.241 19395 10725 1 17 . 1 1 104 104 CYS N N 104 118.175 118.175 123.234 -5.059 19395 10726 1 17 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.825 -0.128 19395 10727 1 17 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.084 -0.820 19395 10728 1 17 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.933 2.246 19395 10729 1 17 . 1 1 104 104 CYS H H 104 8.428 8.428 8.151 0.277 19395 10730 1 17 . 1 1 105 105 VAL N N 105 125.962 125.962 123.685 2.277 19395 10731 1 17 . 1 1 105 105 VAL HA H 105 4.219 4.219 4.023 0.196 19395 10732 1 17 . 1 1 105 105 VAL CA C 105 66.483 66.483 65.544 0.939 19395 10733 1 17 . 1 1 105 105 VAL CB C 105 32.383 32.383 31.870 0.512 19395 10734 1 17 . 1 1 105 105 VAL H H 105 8.422 8.422 8.726 -0.304 19395 10735 1 17 . 1 1 106 106 ALA N N 106 123.180 123.180 120.699 2.481 19395 10736 1 17 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.303 0.392 19395 10737 1 17 . 1 1 106 106 ALA CA C 106 52.862 52.862 52.292 0.570 19395 10738 1 17 . 1 1 106 106 ALA CB C 106 20.123 20.123 18.857 1.266 19395 10739 1 17 . 1 1 106 106 ALA H H 106 9.997 9.997 8.227 1.770 19395 10740 1 17 . 1 1 107 107 GLY N N 107 109.076 109.076 106.528 2.548 19395 10741 1 17 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.631 1.988 19395 10742 1 17 . 1 1 107 107 GLY H H 107 8.019 8.019 7.798 0.221 19395 10743 1 17 . 1 1 108 108 LEU N N 108 117.413 117.413 122.929 -5.516 19395 10744 1 17 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.775 0.689 19395 10745 1 17 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.155 0.627 19395 10746 1 17 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.643 4.177 19395 10747 1 17 . 1 1 108 108 LEU H H 108 7.598 7.598 8.345 -0.747 19395 10748 1 17 . 1 1 109 109 GLY N N 109 111.143 111.143 107.447 3.696 19395 10749 1 17 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.603 0.038 19395 10750 1 17 . 1 1 109 109 GLY H H 109 10.576 10.576 8.703 1.873 19395 10751 1 17 . 1 1 110 110 ARG N N 110 127.464 127.464 123.683 3.781 19395 10752 1 17 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.767 -0.212 19395 10753 1 17 . 1 1 110 110 ARG CA C 110 60.426 60.426 58.448 1.978 19395 10754 1 17 . 1 1 110 110 ARG CB C 110 32.183 32.183 28.847 3.336 19395 10755 1 17 . 1 1 110 110 ARG H H 110 10.234 10.234 8.318 1.916 19395 10756 1 17 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.241 -0.357 19395 10757 1 17 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.572 0.960 19395 10758 1 17 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.373 -0.465 19395 10759 1 17 . 1 1 113 113 VAL N N 113 116.720 116.720 117.747 -1.027 19395 10760 1 17 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.594 -0.034 19395 10761 1 17 . 1 1 113 113 VAL CA C 113 66.730 66.730 65.825 0.905 19395 10762 1 17 . 1 1 113 113 VAL CB C 113 30.523 30.523 30.535 -0.012 19395 10763 1 17 . 1 1 113 113 VAL H H 113 8.340 8.340 8.116 0.224 19395 10764 1 17 . 1 1 114 114 LEU N N 114 119.045 119.045 120.817 -1.772 19395 10765 1 17 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.313 -0.655 19395 10766 1 17 . 1 1 114 114 LEU CA C 114 58.030 58.030 57.838 0.192 19395 10767 1 17 . 1 1 114 114 LEU CB C 114 38.799 38.799 40.889 -2.090 19395 10768 1 17 . 1 1 114 114 LEU H H 114 6.990 6.990 8.112 -1.122 19395 10769 1 17 . 1 1 115 115 VAL N N 115 120.270 120.270 116.251 4.019 19395 10770 1 17 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.417 -0.374 19395 10771 1 17 . 1 1 115 115 VAL CA C 115 67.509 67.509 66.162 1.347 19395 10772 1 17 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.215 -0.428 19395 10773 1 17 . 1 1 115 115 VAL H H 115 7.188 7.188 7.662 -0.474 19395 10774 1 17 . 1 1 116 116 ALA N N 116 121.280 121.280 123.029 -1.749 19395 10775 1 17 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.088 -0.327 19395 10776 1 17 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.195 0.662 19395 10777 1 17 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.575 -0.707 19395 10778 1 17 . 1 1 116 116 ALA H H 116 8.649 8.649 8.617 0.032 19395 10779 1 17 . 1 1 117 117 LEU N N 117 116.557 116.557 120.335 -3.778 19395 10780 1 17 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.909 -0.141 19395 10781 1 17 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.825 0.534 19395 10782 1 17 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.865 2.202 19395 10783 1 17 . 1 1 117 117 LEU H H 117 8.048 8.048 7.521 0.527 19395 10784 1 17 . 1 1 118 118 ALA N N 118 119.916 119.916 119.977 -0.061 19395 10785 1 17 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.557 0.512 19395 10786 1 17 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.324 1.040 19395 10787 1 17 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.378 1.250 19395 10788 1 17 . 1 1 118 118 ALA H H 118 7.691 7.691 6.779 0.912 19395 10789 1 17 . 1 1 119 119 LEU N N 119 116.962 116.962 120.028 -3.066 19395 10790 1 17 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.041 -0.166 19395 10791 1 17 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.597 0.828 19395 10792 1 17 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.772 -1.987 19395 10793 1 17 . 1 1 119 119 LEU H H 119 7.988 7.988 7.559 0.429 19395 10794 1 17 . 1 1 120 120 ILE N N 120 123.209 123.209 119.477 3.732 19395 10795 1 17 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.939 0.810 19395 10796 1 17 . 1 1 120 120 ILE CA C 120 64.104 64.104 64.284 -0.180 19395 10797 1 17 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.580 1.662 19395 10798 1 17 . 1 1 120 120 ILE H H 120 8.643 8.643 8.392 0.251 19395 10799 1 17 . 1 1 121 121 GLU N N 121 121.219 121.219 118.386 2.833 19395 10800 1 17 . 1 1 121 121 GLU HA H 121 4.508 4.508 4.051 0.457 19395 10801 1 17 . 1 1 121 121 GLU CA C 121 59.139 59.139 58.920 0.219 19395 10802 1 17 . 1 1 121 121 GLU CB C 121 29.233 29.233 29.053 0.180 19395 10803 1 17 . 1 1 121 121 GLU H H 121 8.680 8.680 7.819 0.861 19395 10804 1 17 . 1 1 122 122 SER N N 122 114.306 114.306 112.780 1.526 19395 10805 1 17 . 1 1 122 122 SER HA H 122 4.783 4.783 4.367 0.416 19395 10806 1 17 . 1 1 122 122 SER CA C 122 58.581 58.581 60.924 -2.343 19395 10807 1 17 . 1 1 122 122 SER CB C 122 64.656 64.656 63.794 0.862 19395 10808 1 17 . 1 1 122 122 SER H H 122 7.834 7.834 8.040 -0.206 19395 10809 1 17 . 1 1 123 123 GLY N N 123 108.666 108.666 109.031 -0.365 19395 10810 1 17 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.633 0.448 19395 10811 1 17 . 1 1 123 123 GLY H H 123 7.902 7.902 7.701 0.201 19395 10812 1 17 . 1 1 124 124 MET N N 124 123.358 123.358 119.627 3.731 19395 10813 1 17 . 1 1 124 124 MET HA H 124 4.258 4.258 4.729 -0.471 19395 10814 1 17 . 1 1 124 124 MET CA C 124 56.698 56.698 53.167 3.531 19395 10815 1 17 . 1 1 124 124 MET CB C 124 34.104 34.104 35.805 -1.701 19395 10816 1 17 . 1 1 124 124 MET H H 124 7.970 7.970 7.509 0.461 19395 10817 1 17 . 1 1 125 125 LYS N N 125 125.848 125.848 123.535 2.313 19395 10818 1 17 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.393 -0.099 19395 10819 1 17 . 1 1 125 125 LYS CA C 125 56.909 56.909 55.489 1.420 19395 10820 1 17 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.334 0.403 19395 10821 1 17 . 1 1 125 125 LYS H H 125 8.903 8.903 8.528 0.375 19395 10822 1 17 . 1 1 126 126 TYR N N 126 124.016 124.016 127.335 -3.319 19395 10823 1 17 . 1 1 126 126 TYR HA H 126 4.060 4.060 4.022 0.038 19395 10824 1 17 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.478 -0.744 19395 10825 1 17 . 1 1 126 126 TYR CB C 126 37.942 37.942 38.121 -0.179 19395 10826 1 17 . 1 1 126 126 TYR H H 126 9.242 9.242 8.992 0.250 19395 10827 1 17 . 1 1 127 127 GLU N N 127 119.702 119.702 118.201 1.501 19395 10828 1 17 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.236 0.157 19395 10829 1 17 . 1 1 127 127 GLU CA C 127 60.215 60.215 60.037 0.178 19395 10830 1 17 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.564 0.421 19395 10831 1 17 . 1 1 127 127 GLU H H 127 9.102 9.102 8.689 0.413 19395 10832 1 17 . 1 1 128 128 ASP N N 128 118.661 118.661 119.222 -0.561 19395 10833 1 17 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.300 0.111 19395 10834 1 17 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.233 -0.659 19395 10835 1 17 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.060 0.046 19395 10836 1 17 . 1 1 128 128 ASP H H 128 6.782 6.782 8.201 -1.419 19395 10837 1 17 . 1 1 129 129 ALA N N 129 125.068 125.068 122.358 2.710 19395 10838 1 17 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.005 0.222 19395 10839 1 17 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.139 0.273 19395 10840 1 17 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.476 -0.164 19395 10841 1 17 . 1 1 129 129 ALA H H 129 8.365 8.365 8.308 0.057 19395 10842 1 17 . 1 1 130 130 ILE N N 130 115.533 115.533 119.304 -3.771 19395 10843 1 17 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.594 -0.103 19395 10844 1 17 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.700 1.416 19395 10845 1 17 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.489 0.297 19395 10846 1 17 . 1 1 130 130 ILE H H 130 8.044 8.044 8.235 -0.191 19395 10847 1 17 . 1 1 131 131 GLN N N 131 118.503 118.503 117.798 0.705 19395 10848 1 17 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.954 0.062 19395 10849 1 17 . 1 1 131 131 GLN CA C 131 58.791 58.791 59.143 -0.352 19395 10850 1 17 . 1 1 131 131 GLN CB C 131 28.439 28.439 28.445 -0.006 19395 10851 1 17 . 1 1 131 131 GLN H H 131 7.426 7.426 7.991 -0.565 19395 10852 1 17 . 1 1 132 132 PHE N N 132 120.679 120.679 120.656 0.023 19395 10853 1 17 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.229 0.094 19395 10854 1 17 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.154 0.021 19395 10855 1 17 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.024 0.826 19395 10856 1 17 . 1 1 132 132 PHE H H 132 8.416 8.416 7.455 0.961 19395 10857 1 17 . 1 1 133 133 ILE N N 133 116.466 116.466 115.970 0.496 19395 10858 1 17 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.568 -0.079 19395 10859 1 17 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.146 -0.149 19395 10860 1 17 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.659 -0.098 19395 10861 1 17 . 1 1 133 133 ILE H H 133 7.964 7.964 8.049 -0.085 19395 10862 1 17 . 1 1 134 134 ARG N N 134 119.204 119.204 120.495 -1.291 19395 10863 1 17 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.460 -0.138 19395 10864 1 17 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.602 0.558 19395 10865 1 17 . 1 1 134 134 ARG CB C 134 30.212 30.212 31.375 -1.163 19395 10866 1 17 . 1 1 134 134 ARG H H 134 8.449 8.449 8.331 0.118 19395 10867 1 17 . 1 1 135 135 GLN N N 135 117.511 117.511 116.851 0.660 19395 10868 1 17 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.183 -0.146 19395 10869 1 17 . 1 1 135 135 GLN CA C 135 58.337 58.337 57.799 0.538 19395 10870 1 17 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.988 -0.548 19395 10871 1 17 . 1 1 135 135 GLN H H 135 7.829 7.829 7.833 -0.004 19395 10872 1 17 . 1 1 136 136 LYS N N 136 116.364 116.364 117.756 -1.392 19395 10873 1 17 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.335 -0.041 19395 10874 1 17 . 1 1 136 136 LYS CA C 136 56.209 56.209 56.111 0.098 19395 10875 1 17 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.145 0.834 19395 10876 1 17 . 1 1 136 136 LYS H H 136 7.280 7.280 7.912 -0.632 19395 10877 1 17 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.550 -0.705 19395 10878 1 17 . 1 1 140 140 ALA N N 140 121.841 121.841 127.731 -5.890 19395 10879 1 17 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.219 0.137 19395 10880 1 17 . 1 1 140 140 ALA CA C 140 53.327 53.327 54.014 -0.687 19395 10881 1 17 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.682 -0.108 19395 10882 1 17 . 1 1 140 140 ALA H H 140 7.553 7.553 7.997 -0.444 19395 10883 1 17 . 1 1 141 141 ILE N N 141 113.228 113.228 117.217 -3.989 19395 10884 1 17 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.083 -0.745 19395 10885 1 17 . 1 1 141 141 ILE CA C 141 65.889 65.889 59.796 6.093 19395 10886 1 17 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.456 -4.268 19395 10887 1 17 . 1 1 141 141 ILE H H 141 8.744 8.744 8.172 0.572 19395 10888 1 17 . 1 1 142 142 ASN N N 142 126.808 126.808 118.233 8.575 19395 10889 1 17 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.511 0.212 19395 10890 1 17 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.309 -3.226 19395 10891 1 17 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.714 -0.784 19395 10892 1 17 . 1 1 142 142 ASN H H 142 8.538 8.538 8.121 0.417 19395 10893 1 17 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.893 0.274 19395 10894 1 17 . 1 1 145 145 GLN N N 145 120.931 120.931 117.642 3.289 19395 10895 1 17 . 1 1 145 145 GLN HA H 145 3.735 3.735 3.925 -0.190 19395 10896 1 17 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.482 0.353 19395 10897 1 17 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.688 0.115 19395 10898 1 17 . 1 1 145 145 GLN H H 145 8.737 8.737 8.546 0.191 19395 10899 1 17 . 1 1 146 146 LEU N N 146 122.433 122.433 120.057 2.376 19395 10900 1 17 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.216 -0.241 19395 10901 1 17 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.311 0.702 19395 10902 1 17 . 1 1 146 146 LEU CB C 146 41.796 41.796 42.062 -0.266 19395 10903 1 17 . 1 1 146 146 LEU H H 146 8.917 8.917 7.888 1.029 19395 10904 1 17 . 1 1 147 147 THR N N 147 115.378 115.378 112.826 2.552 19395 10905 1 17 . 1 1 147 147 THR HA H 147 3.936 3.936 3.831 0.105 19395 10906 1 17 . 1 1 147 147 THR CA C 147 66.512 66.512 66.161 0.351 19395 10907 1 17 . 1 1 147 147 THR CB C 147 68.865 68.865 68.861 0.004 19395 10908 1 17 . 1 1 147 147 THR H H 147 7.948 7.948 7.791 0.157 19395 10909 1 17 . 1 1 148 148 TYR N N 148 120.402 120.402 123.900 -3.498 19395 10910 1 17 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.083 -0.001 19395 10911 1 17 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.586 -0.391 19395 10912 1 17 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.285 -0.308 19395 10913 1 17 . 1 1 148 148 TYR H H 148 7.366 7.366 8.532 -1.166 19395 10914 1 17 . 1 1 149 149 LEU N N 149 119.957 119.957 118.805 1.152 19395 10915 1 17 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.494 0.234 19395 10916 1 17 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.578 0.963 19395 10917 1 17 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.625 1.938 19395 10918 1 17 . 1 1 149 149 LEU H H 149 7.968 7.968 7.520 0.448 19395 10919 1 17 . 1 1 150 150 GLU N N 150 120.132 120.132 117.821 2.311 19395 10920 1 17 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.553 -1.170 19395 10921 1 17 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.590 -0.128 19395 10922 1 17 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.588 -0.007 19395 10923 1 17 . 1 1 150 150 GLU H H 150 8.305 8.305 7.279 1.026 19395 10924 1 17 . 1 1 151 151 LYS N N 151 114.600 114.600 116.030 -1.430 19395 10925 1 17 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.131 -0.060 19395 10926 1 17 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.687 -1.055 19395 10927 1 17 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.622 -0.675 19395 10928 1 17 . 1 1 151 151 LYS H H 151 7.106 7.106 7.377 -0.271 19395 10929 1 17 . 1 1 152 152 TYR N N 152 123.664 123.664 121.409 2.255 19395 10930 1 17 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.195 -0.420 19395 10931 1 17 . 1 1 152 152 TYR CA C 152 59.659 59.659 59.059 0.599 19395 10932 1 17 . 1 1 152 152 TYR CB C 152 38.245 38.245 39.000 -0.755 19395 10933 1 17 . 1 1 152 152 TYR H H 152 7.187 7.187 7.639 -0.452 19395 10934 1 17 . 1 1 153 153 ARG N N 153 130.321 130.321 125.393 4.928 19395 10935 1 17 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.490 0.275 19395 10936 1 17 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.736 -0.223 19395 10937 1 17 . 1 1 153 153 ARG CB C 153 30.180 30.180 32.033 -1.853 19395 10938 1 17 . 1 1 153 153 ARG H H 153 7.760 7.760 7.654 0.106 19395 10939 1 17 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.723 -0.083 19395 10940 1 17 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.617 -0.562 19395 10941 1 17 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.193 1.410 19395 10942 1 17 . 1 1 155 155 LYS N N 155 122.066 122.066 122.365 -0.299 19395 10943 1 17 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.103 0.335 19395 10944 1 17 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.642 -0.719 19395 10945 1 17 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.238 1.205 19395 10946 1 17 . 1 1 155 155 LYS H H 155 9.586 9.586 8.340 1.246 19395 10947 1 17 . 1 1 156 156 GLN N N 156 117.702 117.702 113.742 3.960 19395 10948 1 17 . 1 1 156 156 GLN HA H 156 4.366 4.366 3.744 0.622 19395 10949 1 17 . 1 1 156 156 GLN CA C 156 56.549 56.549 56.679 -0.130 19395 10950 1 17 . 1 1 156 156 GLN CB C 156 26.728 26.728 25.339 1.389 19395 10951 1 17 . 1 1 156 156 GLN H H 156 8.334 8.334 7.864 0.470 19395 10952 1 17 . 1 1 157 157 ARG N N 157 117.466 117.466 117.464 0.002 19395 10953 1 17 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.115 0.040 19395 10954 1 17 . 1 1 157 157 ARG CA C 157 58.022 58.022 58.076 -0.054 19395 10955 1 17 . 1 1 157 157 ARG CB C 157 30.769 30.769 31.154 -0.385 19395 10956 1 17 . 1 1 157 157 ARG H H 157 8.983 8.983 7.828 1.155 19395 10957 1 17 . 1 1 158 158 LEU N N 158 117.973 117.973 121.044 -3.071 19395 10958 1 17 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.534 0.095 19395 10959 1 17 . 1 1 158 158 LEU CA C 158 53.469 53.469 54.746 -1.278 19395 10960 1 17 . 1 1 158 158 LEU CB C 158 41.505 41.505 41.641 -0.136 19395 10961 1 17 . 1 1 158 158 LEU H H 158 8.123 8.123 7.889 0.234 19395 10962 1 17 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.576 -0.463 19395 10963 1 17 . 1 1 161 161 LYS CA C 161 56.487 56.487 55.273 1.214 19395 10964 1 17 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.144 -0.970 19395 10965 1 17 . 1 1 161 161 LYS H H 161 7.856 7.856 8.140 -0.284 19395 10966 1 18 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.434 -0.087 19395 10967 1 18 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.755 -0.217 19395 10968 1 18 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.717 -0.925 19395 10969 1 18 . 1 1 8 8 ALA N N 8 126.708 126.708 127.044 -0.336 19395 10970 1 18 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.877 -0.266 19395 10971 1 18 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.417 0.891 19395 10972 1 18 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.339 -1.134 19395 10973 1 18 . 1 1 8 8 ALA H H 8 8.399 8.399 8.288 0.111 19395 10974 1 18 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.220 0.431 19395 10975 1 18 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.171 0.412 19395 10976 1 18 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.586 -0.075 19395 10977 1 18 . 1 1 10 10 VAL N N 10 118.581 118.581 119.686 -1.105 19395 10978 1 18 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.329 -0.028 19395 10979 1 18 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.079 -0.246 19395 10980 1 18 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.165 0.512 19395 10981 1 18 . 1 1 10 10 VAL H H 10 8.025 8.025 7.915 0.110 19395 10982 1 18 . 1 1 11 11 GLU N N 11 129.673 129.673 129.372 0.301 19395 10983 1 18 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.005 0.080 19395 10984 1 18 . 1 1 11 11 GLU CA C 11 54.747 54.747 55.103 -0.356 19395 10985 1 18 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.107 1.022 19395 10986 1 18 . 1 1 11 11 GLU H H 11 8.723 8.723 8.820 -0.097 19395 10987 1 18 . 1 1 12 12 VAL N N 12 127.093 127.093 127.848 -0.755 19395 10988 1 18 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.508 -0.225 19395 10989 1 18 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.132 1.464 19395 10990 1 18 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.343 1.203 19395 10991 1 18 . 1 1 12 12 VAL H H 12 9.247 9.247 8.911 0.336 19395 10992 1 18 . 1 1 13 13 SER N N 13 123.385 123.385 125.515 -2.130 19395 10993 1 18 . 1 1 13 13 SER HA H 13 5.302 5.302 4.811 0.491 19395 10994 1 18 . 1 1 13 13 SER CA C 13 56.409 56.409 58.286 -1.877 19395 10995 1 18 . 1 1 13 13 SER CB C 13 64.981 64.981 63.380 1.601 19395 10996 1 18 . 1 1 13 13 SER H H 13 9.001 9.001 8.718 0.283 19395 10997 1 18 . 1 1 14 14 TYR N N 14 124.413 124.413 127.937 -3.524 19395 10998 1 18 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.555 -0.018 19395 10999 1 18 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.686 0.547 19395 11000 1 18 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.793 1.786 19395 11001 1 18 . 1 1 14 14 TYR H H 14 8.347 8.347 8.777 -0.430 19395 11002 1 18 . 1 1 15 15 LYS N N 15 125.130 125.130 120.217 4.913 19395 11003 1 18 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.979 -0.580 19395 11004 1 18 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.644 -0.270 19395 11005 1 18 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.281 -2.387 19395 11006 1 18 . 1 1 15 15 LYS H H 15 8.820 8.820 8.402 0.418 19395 11007 1 18 . 1 1 16 16 HIS N N 16 121.278 121.278 118.236 3.042 19395 11008 1 18 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.731 -0.281 19395 11009 1 18 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.298 1.440 19395 11010 1 18 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.881 0.347 19395 11011 1 18 . 1 1 16 16 HIS H H 16 8.784 8.784 8.142 0.642 19395 11012 1 18 . 1 1 17 17 MET N N 17 120.113 120.113 115.125 4.988 19395 11013 1 18 . 1 1 17 17 MET HA H 17 2.326 2.326 4.742 -2.416 19395 11014 1 18 . 1 1 17 17 MET CA C 17 54.714 54.714 55.246 -0.532 19395 11015 1 18 . 1 1 17 17 MET CB C 17 34.848 34.848 35.309 -0.461 19395 11016 1 18 . 1 1 17 17 MET H H 17 8.106 8.106 7.375 0.731 19395 11017 1 18 . 1 1 18 18 ARG N N 18 121.252 121.252 120.717 0.535 19395 11018 1 18 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.315 -0.476 19395 11019 1 18 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.426 0.368 19395 11020 1 18 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.460 0.356 19395 11021 1 18 . 1 1 18 18 ARG H H 18 5.904 5.904 8.546 -2.642 19395 11022 1 18 . 1 1 19 19 PHE N N 19 121.195 121.195 122.709 -1.514 19395 11023 1 18 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.369 0.631 19395 11024 1 18 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.134 0.484 19395 11025 1 18 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.222 0.394 19395 11026 1 18 . 1 1 19 19 PHE H H 19 9.178 9.178 9.364 -0.186 19395 11027 1 18 . 1 1 20 20 LEU N N 20 123.804 123.804 121.866 1.938 19395 11028 1 18 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.141 -0.031 19395 11029 1 18 . 1 1 20 20 LEU CA C 20 52.568 52.568 54.018 -1.450 19395 11030 1 18 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.619 2.264 19395 11031 1 18 . 1 1 20 20 LEU H H 20 8.601 8.601 9.357 -0.756 19395 11032 1 18 . 1 1 21 21 ILE N N 21 126.661 126.661 123.591 3.070 19395 11033 1 18 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.332 -0.201 19395 11034 1 18 . 1 1 21 21 ILE CA C 21 60.828 60.828 59.245 1.583 19395 11035 1 18 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.246 0.963 19395 11036 1 18 . 1 1 21 21 ILE H H 21 9.323 9.323 9.184 0.139 19395 11037 1 18 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.551 -0.222 19395 11038 1 18 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.364 -1.546 19395 11039 1 18 . 1 1 25 25 PRO CB C 25 32.524 32.524 31.883 0.641 19395 11040 1 18 . 1 1 26 26 THR N N 26 131.812 131.812 115.168 16.644 19395 11041 1 18 . 1 1 26 26 THR H H 26 6.781 6.781 7.651 -0.870 19395 11042 1 18 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.281 0.063 19395 11043 1 18 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.904 0.117 19395 11044 1 18 . 1 1 28 28 ALA CB C 28 19.183 19.183 18.477 0.706 19395 11045 1 18 . 1 1 29 29 THR N N 29 104.375 104.375 106.606 -2.231 19395 11046 1 18 . 1 1 29 29 THR HA H 29 4.847 4.847 4.463 0.384 19395 11047 1 18 . 1 1 29 29 THR CA C 29 60.370 60.370 61.218 -0.848 19395 11048 1 18 . 1 1 29 29 THR CB C 29 69.135 69.135 68.935 0.200 19395 11049 1 18 . 1 1 29 29 THR H H 29 7.642 7.642 7.572 0.070 19395 11050 1 18 . 1 1 30 30 LEU N N 30 124.383 124.383 123.138 1.245 19395 11051 1 18 . 1 1 30 30 LEU HA H 30 4.013 4.013 4.320 -0.307 19395 11052 1 18 . 1 1 30 30 LEU CA C 30 57.711 57.711 56.541 1.170 19395 11053 1 18 . 1 1 30 30 LEU CB C 30 42.354 42.354 41.840 0.514 19395 11054 1 18 . 1 1 30 30 LEU H H 30 7.356 7.356 7.328 0.028 19395 11055 1 18 . 1 1 31 31 SER N N 31 111.792 111.792 113.661 -1.869 19395 11056 1 18 . 1 1 31 31 SER H H 31 6.915 6.915 8.469 -1.554 19395 11057 1 18 . 1 1 32 32 THR N N 32 116.374 116.374 119.160 -2.786 19395 11058 1 18 . 1 1 32 32 THR HA H 32 4.109 4.109 4.222 -0.113 19395 11059 1 18 . 1 1 32 32 THR CA C 32 65.142 65.142 65.742 -0.600 19395 11060 1 18 . 1 1 32 32 THR CB C 32 68.628 68.628 69.123 -0.495 19395 11061 1 18 . 1 1 32 32 THR H H 32 7.589 7.589 7.403 0.186 19395 11062 1 18 . 1 1 33 33 PHE N N 33 124.790 124.790 123.262 1.528 19395 11063 1 18 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.355 0.120 19395 11064 1 18 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.702 0.348 19395 11065 1 18 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.786 1.052 19395 11066 1 18 . 1 1 33 33 PHE H H 33 7.644 7.644 8.918 -1.274 19395 11067 1 18 . 1 1 34 34 ILE N N 34 117.776 117.776 116.167 1.609 19395 11068 1 18 . 1 1 34 34 ILE HA H 34 3.347 3.347 2.940 0.407 19395 11069 1 18 . 1 1 34 34 ILE CA C 34 67.022 67.022 63.678 3.344 19395 11070 1 18 . 1 1 34 34 ILE CB C 34 31.646 31.646 36.530 -4.884 19395 11071 1 18 . 1 1 34 34 ILE H H 34 8.535 8.535 7.552 0.983 19395 11072 1 18 . 1 1 35 35 GLU N N 35 119.202 119.202 119.580 -0.378 19395 11073 1 18 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.913 0.014 19395 11074 1 18 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.626 0.120 19395 11075 1 18 . 1 1 35 35 GLU CB C 35 29.375 29.375 29.091 0.284 19395 11076 1 18 . 1 1 35 35 GLU H H 35 7.512 7.512 7.810 -0.298 19395 11077 1 18 . 1 1 36 36 ASP N N 36 121.117 121.117 120.404 0.713 19395 11078 1 18 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.463 0.091 19395 11079 1 18 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.205 0.733 19395 11080 1 18 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.339 -0.220 19395 11081 1 18 . 1 1 36 36 ASP H H 36 8.049 8.049 8.391 -0.342 19395 11082 1 18 . 1 1 37 37 LEU N N 37 119.257 119.257 116.463 2.794 19395 11083 1 18 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.153 -0.400 19395 11084 1 18 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.823 0.680 19395 11085 1 18 . 1 1 37 37 LEU CB C 37 39.960 39.960 40.756 -0.796 19395 11086 1 18 . 1 1 37 37 LEU H H 37 8.016 8.016 7.605 0.411 19395 11087 1 18 . 1 1 38 38 LYS N N 38 117.743 117.743 120.003 -2.260 19395 11088 1 18 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.078 0.020 19395 11089 1 18 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.446 -0.142 19395 11090 1 18 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.691 -0.423 19395 11091 1 18 . 1 1 38 38 LYS H H 38 8.336 8.336 7.840 0.496 19395 11092 1 18 . 1 1 39 39 LYS N N 39 122.164 122.164 118.065 4.099 19395 11093 1 18 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.065 0.091 19395 11094 1 18 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.855 0.578 19395 11095 1 18 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.139 0.272 19395 11096 1 18 . 1 1 39 39 LYS H H 39 8.113 8.113 8.214 -0.101 19395 11097 1 18 . 1 1 40 40 TYR N N 40 114.347 114.347 118.699 -4.352 19395 11098 1 18 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.297 0.098 19395 11099 1 18 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.611 0.039 19395 11100 1 18 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.313 1.383 19395 11101 1 18 . 1 1 40 40 TYR H H 40 7.626 7.626 7.859 -0.233 19395 11102 1 18 . 1 1 41 41 GLY N N 41 109.921 109.921 105.031 4.890 19395 11103 1 18 . 1 1 41 41 GLY CA C 41 46.766 46.766 45.060 1.706 19395 11104 1 18 . 1 1 41 41 GLY H H 41 7.878 7.878 7.367 0.511 19395 11105 1 18 . 1 1 42 42 ALA N N 42 123.757 123.757 122.879 0.878 19395 11106 1 18 . 1 1 42 42 ALA HA H 42 5.158 5.158 4.971 0.187 19395 11107 1 18 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.782 0.356 19395 11108 1 18 . 1 1 42 42 ALA CB C 42 19.909 19.909 20.643 -0.734 19395 11109 1 18 . 1 1 42 42 ALA H H 42 8.544 8.544 8.219 0.325 19395 11110 1 18 . 1 1 43 43 THR N N 43 109.574 109.574 114.472 -4.898 19395 11111 1 18 . 1 1 43 43 THR HA H 43 4.479 4.479 4.450 0.029 19395 11112 1 18 . 1 1 43 43 THR CA C 43 61.144 61.144 61.194 -0.050 19395 11113 1 18 . 1 1 43 43 THR CB C 43 69.180 69.180 68.026 1.154 19395 11114 1 18 . 1 1 43 43 THR H H 43 7.969 7.969 8.697 -0.728 19395 11115 1 18 . 1 1 44 44 THR N N 44 118.101 118.101 116.040 2.061 19395 11116 1 18 . 1 1 44 44 THR HA H 44 5.226 5.226 5.110 0.116 19395 11117 1 18 . 1 1 44 44 THR CA C 44 62.061 62.061 60.645 1.416 19395 11118 1 18 . 1 1 44 44 THR CB C 44 72.595 72.595 72.486 0.110 19395 11119 1 18 . 1 1 44 44 THR H H 44 7.458 7.458 7.314 0.144 19395 11120 1 18 . 1 1 45 45 VAL N N 45 127.571 127.571 123.002 4.569 19395 11121 1 18 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.354 0.348 19395 11122 1 18 . 1 1 45 45 VAL CA C 45 60.504 60.504 60.851 -0.347 19395 11123 1 18 . 1 1 45 45 VAL CB C 45 35.182 35.182 33.581 1.601 19395 11124 1 18 . 1 1 45 45 VAL H H 45 9.398 9.398 9.021 0.377 19395 11125 1 18 . 1 1 46 46 VAL N N 46 129.011 129.011 122.185 6.826 19395 11126 1 18 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.059 0.271 19395 11127 1 18 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.123 -0.606 19395 11128 1 18 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.173 3.059 19395 11129 1 18 . 1 1 46 46 VAL H H 46 9.342 9.342 9.038 0.304 19395 11130 1 18 . 1 1 47 47 ARG N N 47 129.852 129.852 120.142 9.710 19395 11131 1 18 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.192 0.103 19395 11132 1 18 . 1 1 47 47 ARG CA C 47 56.019 56.019 56.978 -0.959 19395 11133 1 18 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.182 0.635 19395 11134 1 18 . 1 1 47 47 ARG H H 47 9.037 9.037 8.230 0.807 19395 11135 1 18 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.762 -0.828 19395 11136 1 18 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.306 -1.618 19395 11137 1 18 . 1 1 49 49 CYS CB C 49 41.121 41.121 29.258 11.863 19395 11138 1 18 . 1 1 50 50 GLU N N 50 114.931 114.931 121.880 -6.949 19395 11139 1 18 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.363 -0.277 19395 11140 1 18 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.414 -0.114 19395 11141 1 18 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.335 2.110 19395 11142 1 18 . 1 1 50 50 GLU H H 50 8.669 8.669 8.756 -0.087 19395 11143 1 18 . 1 1 51 51 VAL N N 51 122.453 122.453 116.673 5.780 19395 11144 1 18 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.165 -0.744 19395 11145 1 18 . 1 1 51 51 VAL CA C 51 64.120 64.120 63.225 0.895 19395 11146 1 18 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.441 -0.411 19395 11147 1 18 . 1 1 51 51 VAL H H 51 8.356 8.356 7.904 0.452 19395 11148 1 18 . 1 1 52 52 THR N N 52 118.382 118.382 114.058 4.324 19395 11149 1 18 . 1 1 52 52 THR HA H 52 4.525 4.525 4.574 -0.049 19395 11150 1 18 . 1 1 52 52 THR CA C 52 61.197 61.197 61.525 -0.328 19395 11151 1 18 . 1 1 52 52 THR CB C 52 69.429 69.429 68.845 0.584 19395 11152 1 18 . 1 1 52 52 THR H H 52 8.936 8.936 8.193 0.743 19395 11153 1 18 . 1 1 53 53 TYR N N 53 116.747 116.747 119.769 -3.022 19395 11154 1 18 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.832 -0.070 19395 11155 1 18 . 1 1 53 53 TYR CA C 53 55.653 55.653 57.203 -1.550 19395 11156 1 18 . 1 1 53 53 TYR CB C 53 39.833 39.833 40.449 -0.616 19395 11157 1 18 . 1 1 53 53 TYR H H 53 7.040 7.040 7.849 -0.809 19395 11158 1 18 . 1 1 54 54 ASP N N 54 123.720 123.720 123.479 0.241 19395 11159 1 18 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.383 0.125 19395 11160 1 18 . 1 1 54 54 ASP CA C 54 53.571 53.571 53.337 0.233 19395 11161 1 18 . 1 1 54 54 ASP CB C 54 41.364 41.364 41.920 -0.556 19395 11162 1 18 . 1 1 54 54 ASP H H 54 9.280 9.280 8.212 1.068 19395 11163 1 18 . 1 1 55 55 LYS N N 55 121.455 121.455 123.160 -1.705 19395 11164 1 18 . 1 1 55 55 LYS HA H 55 4.519 4.519 3.839 0.680 19395 11165 1 18 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.826 0.118 19395 11166 1 18 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.906 1.034 19395 11167 1 18 . 1 1 55 55 LYS H H 55 8.497 8.497 8.237 0.260 19395 11168 1 18 . 1 1 56 56 THR N N 56 120.743 120.743 118.767 1.976 19395 11169 1 18 . 1 1 56 56 THR HA H 56 4.120 4.120 4.596 -0.476 19395 11170 1 18 . 1 1 56 56 THR CA C 56 68.652 68.652 63.191 5.461 19395 11171 1 18 . 1 1 56 56 THR CB C 56 66.508 66.508 68.166 -1.658 19395 11172 1 18 . 1 1 56 56 THR H H 56 8.701 8.701 8.522 0.179 19395 11173 1 18 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.420 -0.129 19395 11174 1 18 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.650 0.183 19395 11175 1 18 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.493 -0.103 19395 11176 1 18 . 1 1 58 58 LEU N N 58 116.313 116.313 118.076 -1.763 19395 11177 1 18 . 1 1 58 58 LEU HA H 58 4.054 4.054 3.935 0.119 19395 11178 1 18 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.643 1.499 19395 11179 1 18 . 1 1 58 58 LEU CB C 58 40.354 40.354 39.846 0.508 19395 11180 1 18 . 1 1 58 58 LEU H H 58 7.170 7.170 8.414 -1.244 19395 11181 1 18 . 1 1 59 59 GLU N N 59 120.470 120.470 119.587 0.883 19395 11182 1 18 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.053 0.338 19395 11183 1 18 . 1 1 59 59 GLU CA C 59 59.104 59.104 59.286 -0.182 19395 11184 1 18 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.417 -0.091 19395 11185 1 18 . 1 1 59 59 GLU H H 59 7.794 7.794 8.645 -0.851 19395 11186 1 18 . 1 1 60 60 LYS N N 60 119.911 119.911 118.846 1.065 19395 11187 1 18 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.239 -0.131 19395 11188 1 18 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.463 1.092 19395 11189 1 18 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.095 -0.032 19395 11190 1 18 . 1 1 60 60 LYS H H 60 8.246 8.246 7.819 0.427 19395 11191 1 18 . 1 1 61 61 ASP N N 61 119.142 119.142 117.452 1.690 19395 11192 1 18 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.678 0.292 19395 11193 1 18 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.520 -0.741 19395 11194 1 18 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.959 0.928 19395 11195 1 18 . 1 1 61 61 ASP H H 61 7.235 7.235 7.608 -0.373 19395 11196 1 18 . 1 1 62 62 GLY N N 62 105.820 105.820 107.870 -2.050 19395 11197 1 18 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.906 0.136 19395 11198 1 18 . 1 1 62 62 GLY H H 62 7.742 7.742 7.530 0.212 19395 11199 1 18 . 1 1 63 63 ILE N N 63 123.074 123.074 119.876 3.198 19395 11200 1 18 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.115 0.223 19395 11201 1 18 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.200 -0.670 19395 11202 1 18 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.442 -0.924 19395 11203 1 18 . 1 1 63 63 ILE H H 63 7.870 7.870 7.750 0.120 19395 11204 1 18 . 1 1 64 64 THR N N 64 123.510 123.510 122.928 0.582 19395 11205 1 18 . 1 1 64 64 THR HA H 64 4.316 4.316 4.244 0.072 19395 11206 1 18 . 1 1 64 64 THR CA C 64 63.015 63.015 62.854 0.161 19395 11207 1 18 . 1 1 64 64 THR CB C 64 70.376 70.376 69.112 1.264 19395 11208 1 18 . 1 1 64 64 THR H H 64 8.200 8.200 8.748 -0.548 19395 11209 1 18 . 1 1 65 65 VAL N N 65 128.299 128.299 127.079 1.220 19395 11210 1 18 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.085 0.963 19395 11211 1 18 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.293 -1.246 19395 11212 1 18 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.552 0.565 19395 11213 1 18 . 1 1 65 65 VAL H H 65 8.919 8.919 8.594 0.325 19395 11214 1 18 . 1 1 66 66 VAL N N 66 129.962 129.962 129.565 0.397 19395 11215 1 18 . 1 1 66 66 VAL HA H 66 3.927 3.927 4.096 -0.169 19395 11216 1 18 . 1 1 66 66 VAL CA C 66 60.683 60.683 60.153 0.530 19395 11217 1 18 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.065 2.555 19395 11218 1 18 . 1 1 66 66 VAL H H 66 9.145 9.145 8.179 0.966 19395 11219 1 18 . 1 1 67 67 ASP N N 67 126.437 126.437 124.510 1.927 19395 11220 1 18 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.829 0.490 19395 11221 1 18 . 1 1 67 67 ASP CA C 67 54.170 54.170 52.402 1.768 19395 11222 1 18 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.197 1.874 19395 11223 1 18 . 1 1 67 67 ASP H H 67 8.099 8.099 7.984 0.115 19395 11224 1 18 . 1 1 68 68 TRP N N 68 125.863 125.863 122.914 2.949 19395 11225 1 18 . 1 1 68 68 TRP HA H 68 5.540 5.540 5.111 0.429 19395 11226 1 18 . 1 1 68 68 TRP CA C 68 51.631 51.631 52.964 -1.333 19395 11227 1 18 . 1 1 68 68 TRP CB C 68 30.303 30.303 30.640 -0.337 19395 11228 1 18 . 1 1 68 68 TRP H H 68 8.305 8.305 7.917 0.388 19395 11229 1 18 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.522 -0.537 19395 11230 1 18 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.314 -0.371 19395 11231 1 18 . 1 1 69 69 PRO CB C 69 31.544 31.544 31.648 -0.104 19395 11232 1 18 . 1 1 70 70 PHE N N 70 113.153 113.153 119.484 -6.331 19395 11233 1 18 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.251 0.509 19395 11234 1 18 . 1 1 70 70 PHE CA C 70 56.067 56.067 60.437 -4.370 19395 11235 1 18 . 1 1 70 70 PHE CB C 70 39.334 39.334 38.998 0.336 19395 11236 1 18 . 1 1 70 70 PHE H H 70 7.237 7.237 8.035 -0.798 19395 11237 1 18 . 1 1 71 71 ASP N N 71 120.632 120.632 120.659 -0.027 19395 11238 1 18 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.509 -0.227 19395 11239 1 18 . 1 1 71 71 ASP CA C 71 55.907 55.907 56.441 -0.534 19395 11240 1 18 . 1 1 71 71 ASP CB C 71 41.099 41.099 41.699 -0.600 19395 11241 1 18 . 1 1 71 71 ASP H H 71 8.514 8.514 7.591 0.923 19395 11242 1 18 . 1 1 73 73 GLY H H 73 8.510 8.510 7.686 0.824 19395 11243 1 18 . 1 1 74 74 ALA N N 74 123.138 123.138 127.990 -4.852 19395 11244 1 18 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.714 0.126 19395 11245 1 18 . 1 1 74 74 ALA CA C 74 50.106 50.106 48.716 1.390 19395 11246 1 18 . 1 1 74 74 ALA CB C 74 20.264 20.264 19.893 0.371 19395 11247 1 18 . 1 1 74 74 ALA H H 74 7.833 7.833 8.172 -0.339 19395 11248 1 18 . 1 1 75 75 PRO CB C 75 31.456 31.456 30.694 0.762 19395 11249 1 18 . 1 1 79 79 LYS N N 79 119.944 119.944 118.667 1.277 19395 11250 1 18 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.278 -0.338 19395 11251 1 18 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.468 1.356 19395 11252 1 18 . 1 1 79 79 LYS CB C 79 32.310 32.310 32.731 -0.421 19395 11253 1 18 . 1 1 79 79 LYS H H 79 8.425 8.425 7.367 1.058 19395 11254 1 18 . 1 1 80 80 VAL N N 80 116.231 116.231 118.924 -2.693 19395 11255 1 18 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.596 -0.201 19395 11256 1 18 . 1 1 80 80 VAL CA C 80 64.913 64.913 65.437 -0.524 19395 11257 1 18 . 1 1 80 80 VAL CB C 80 31.293 31.293 31.061 0.232 19395 11258 1 18 . 1 1 80 80 VAL H H 80 6.338 6.338 8.078 -1.740 19395 11259 1 18 . 1 1 81 81 VAL N N 81 118.082 118.082 115.222 2.860 19395 11260 1 18 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.649 -0.464 19395 11261 1 18 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.488 2.136 19395 11262 1 18 . 1 1 81 81 VAL CB C 81 31.645 31.645 31.412 0.233 19395 11263 1 18 . 1 1 81 81 VAL H H 81 7.362 7.362 7.405 -0.043 19395 11264 1 18 . 1 1 82 82 GLU N N 82 117.196 117.196 118.410 -1.214 19395 11265 1 18 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.982 -0.046 19395 11266 1 18 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.389 0.105 19395 11267 1 18 . 1 1 82 82 GLU CB C 82 29.451 29.451 28.754 0.697 19395 11268 1 18 . 1 1 82 82 GLU H H 82 7.878 7.878 8.042 -0.164 19395 11269 1 18 . 1 1 83 83 ASP N N 83 121.828 121.828 121.008 0.820 19395 11270 1 18 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.617 -0.378 19395 11271 1 18 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.757 0.522 19395 11272 1 18 . 1 1 83 83 ASP CB C 83 38.149 38.149 40.734 -2.585 19395 11273 1 18 . 1 1 83 83 ASP H H 83 8.156 8.156 7.837 0.319 19395 11274 1 18 . 1 1 84 84 TRP N N 84 124.374 124.374 122.055 2.319 19395 11275 1 18 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.428 0.496 19395 11276 1 18 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.974 -0.952 19395 11277 1 18 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.881 -0.071 19395 11278 1 18 . 1 1 84 84 TRP H H 84 8.939 8.939 7.875 1.064 19395 11279 1 18 . 1 1 85 85 LEU N N 85 117.918 117.918 117.723 0.195 19395 11280 1 18 . 1 1 85 85 LEU HA H 85 3.760 3.760 3.961 -0.201 19395 11281 1 18 . 1 1 85 85 LEU CA C 85 57.998 57.998 58.796 -0.798 19395 11282 1 18 . 1 1 85 85 LEU CB C 85 41.329 41.329 41.414 -0.085 19395 11283 1 18 . 1 1 85 85 LEU H H 85 8.723 8.723 8.351 0.372 19395 11284 1 18 . 1 1 86 86 SER N N 86 114.182 114.182 114.311 -0.129 19395 11285 1 18 . 1 1 86 86 SER HA H 86 4.187 4.187 4.223 -0.036 19395 11286 1 18 . 1 1 86 86 SER CA C 86 61.997 61.997 61.808 0.189 19395 11287 1 18 . 1 1 86 86 SER CB C 86 62.984 62.984 62.751 0.233 19395 11288 1 18 . 1 1 86 86 SER H H 86 8.067 8.067 8.066 0.001 19395 11289 1 18 . 1 1 87 87 LEU N N 87 125.441 125.441 122.260 3.181 19395 11290 1 18 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.081 0.129 19395 11291 1 18 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.079 0.858 19395 11292 1 18 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.715 0.863 19395 11293 1 18 . 1 1 87 87 LEU H H 87 8.300 8.300 7.828 0.472 19395 11294 1 18 . 1 1 88 88 VAL N N 88 116.784 116.784 119.240 -2.456 19395 11295 1 18 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.644 -0.578 19395 11296 1 18 . 1 1 88 88 VAL CA C 88 66.385 66.385 67.791 -1.406 19395 11297 1 18 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.513 -0.749 19395 11298 1 18 . 1 1 88 88 VAL H H 88 8.468 8.468 7.997 0.471 19395 11299 1 18 . 1 1 89 89 LYS N N 89 118.569 118.569 118.575 -0.006 19395 11300 1 18 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.355 -0.330 19395 11301 1 18 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.867 0.609 19395 11302 1 18 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.359 0.497 19395 11303 1 18 . 1 1 89 89 LYS H H 89 7.652 7.652 8.268 -0.616 19395 11304 1 18 . 1 1 90 90 ALA N N 90 119.043 119.043 121.631 -2.588 19395 11305 1 18 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.300 -0.149 19395 11306 1 18 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.951 1.094 19395 11307 1 18 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.655 -1.201 19395 11308 1 18 . 1 1 90 90 ALA H H 90 7.616 7.616 8.014 -0.398 19395 11309 1 18 . 1 1 91 91 LYS N N 91 117.654 117.654 120.367 -2.713 19395 11310 1 18 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.938 -0.001 19395 11311 1 18 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.073 -1.319 19395 11312 1 18 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.910 -1.747 19395 11313 1 18 . 1 1 91 91 LYS H H 91 8.658 8.658 8.590 0.068 19395 11314 1 18 . 1 1 92 92 PHE N N 92 113.471 113.471 118.460 -4.989 19395 11315 1 18 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.371 0.248 19395 11316 1 18 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.299 -0.704 19395 11317 1 18 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.176 -1.492 19395 11318 1 18 . 1 1 92 92 PHE H H 92 7.472 7.472 8.423 -0.951 19395 11319 1 18 . 1 1 93 93 CYS N N 93 117.138 117.138 118.628 -1.490 19395 11320 1 18 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.722 0.641 19395 11321 1 18 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.883 2.081 19395 11322 1 18 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.460 0.018 19395 11323 1 18 . 1 1 93 93 CYS H H 93 7.562 7.562 7.550 0.012 19395 11324 1 18 . 1 1 94 94 GLU N N 94 118.594 118.594 120.190 -1.596 19395 11325 1 18 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.290 -0.163 19395 11326 1 18 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.687 1.354 19395 11327 1 18 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.185 -0.112 19395 11328 1 18 . 1 1 94 94 GLU H H 94 8.236 8.236 8.368 -0.132 19395 11329 1 18 . 1 1 95 95 ALA N N 95 121.081 121.081 123.339 -2.258 19395 11330 1 18 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.745 0.132 19395 11331 1 18 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.094 0.275 19395 11332 1 18 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.807 -1.683 19395 11333 1 18 . 1 1 95 95 ALA H H 95 7.898 7.898 7.649 0.249 19395 11334 1 18 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.380 0.443 19395 11335 1 18 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.303 0.664 19395 11336 1 18 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.476 1.080 19395 11337 1 18 . 1 1 97 97 GLY N N 97 113.478 113.478 114.457 -0.979 19395 11338 1 18 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.935 -0.236 19395 11339 1 18 . 1 1 97 97 GLY H H 97 9.198 9.198 8.415 0.783 19395 11340 1 18 . 1 1 98 98 SER N N 98 115.643 115.643 114.447 1.196 19395 11341 1 18 . 1 1 98 98 SER HA H 98 4.560 4.560 4.249 0.311 19395 11342 1 18 . 1 1 98 98 SER CA C 98 58.923 58.923 59.851 -0.928 19395 11343 1 18 . 1 1 98 98 SER CB C 98 64.427 64.427 63.974 0.453 19395 11344 1 18 . 1 1 98 98 SER H H 98 8.066 8.066 7.934 0.132 19395 11345 1 18 . 1 1 99 99 CYS N N 99 115.484 115.484 116.375 -0.891 19395 11346 1 18 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.240 0.157 19395 11347 1 18 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.556 -1.768 19395 11348 1 18 . 1 1 99 99 CYS CB C 99 29.985 29.985 32.375 -2.390 19395 11349 1 18 . 1 1 99 99 CYS H H 99 7.532 7.532 8.242 -0.710 19395 11350 1 18 . 1 1 100 100 VAL N N 100 128.065 128.065 119.633 8.432 19395 11351 1 18 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.326 -0.018 19395 11352 1 18 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.242 2.389 19395 11353 1 18 . 1 1 100 100 VAL CB C 100 34.384 34.384 34.272 0.112 19395 11354 1 18 . 1 1 100 100 VAL H H 100 8.392 8.392 8.365 0.027 19395 11355 1 18 . 1 1 101 101 ALA N N 101 130.346 130.346 131.660 -1.314 19395 11356 1 18 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.675 1.085 19395 11357 1 18 . 1 1 101 101 ALA CA C 101 50.101 50.101 50.815 -0.714 19395 11358 1 18 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.106 2.012 19395 11359 1 18 . 1 1 101 101 ALA H H 101 8.882 8.882 7.915 0.967 19395 11360 1 18 . 1 1 102 102 VAL N N 102 120.866 120.866 117.987 2.879 19395 11361 1 18 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.507 1.116 19395 11362 1 18 . 1 1 102 102 VAL CA C 102 58.795 58.795 59.789 -0.994 19395 11363 1 18 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.478 -0.338 19395 11364 1 18 . 1 1 102 102 VAL H H 102 9.359 9.359 8.731 0.628 19395 11365 1 18 . 1 1 103 103 HIS N N 103 120.019 120.019 122.921 -2.902 19395 11366 1 18 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.471 0.312 19395 11367 1 18 . 1 1 103 103 HIS CA C 103 55.292 55.292 57.652 -2.360 19395 11368 1 18 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.907 2.124 19395 11369 1 18 . 1 1 103 103 HIS H H 103 8.749 8.749 8.528 0.221 19395 11370 1 18 . 1 1 104 104 CYS N N 104 118.175 118.175 121.451 -3.276 19395 11371 1 18 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.781 -0.084 19395 11372 1 18 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.449 -1.184 19395 11373 1 18 . 1 1 104 104 CYS CB C 104 33.179 33.179 29.693 3.486 19395 11374 1 18 . 1 1 104 104 CYS H H 104 8.428 8.428 8.431 -0.003 19395 11375 1 18 . 1 1 105 105 VAL N N 105 125.962 125.962 129.679 -3.717 19395 11376 1 18 . 1 1 105 105 VAL HA H 105 4.219 4.219 3.810 0.409 19395 11377 1 18 . 1 1 105 105 VAL CA C 105 66.483 66.483 65.075 1.408 19395 11378 1 18 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.079 0.304 19395 11379 1 18 . 1 1 105 105 VAL H H 105 8.422 8.422 8.467 -0.045 19395 11380 1 18 . 1 1 106 106 ALA N N 106 123.180 123.180 119.503 3.677 19395 11381 1 18 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.465 0.230 19395 11382 1 18 . 1 1 106 106 ALA CA C 106 52.862 52.862 52.966 -0.104 19395 11383 1 18 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.557 0.566 19395 11384 1 18 . 1 1 106 106 ALA H H 106 9.997 9.997 8.089 1.908 19395 11385 1 18 . 1 1 107 107 GLY N N 107 109.076 109.076 107.299 1.777 19395 11386 1 18 . 1 1 107 107 GLY CA C 107 46.619 46.619 45.640 0.979 19395 11387 1 18 . 1 1 107 107 GLY H H 107 8.019 8.019 7.935 0.084 19395 11388 1 18 . 1 1 108 108 LEU N N 108 117.413 117.413 122.237 -4.824 19395 11389 1 18 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.679 0.785 19395 11390 1 18 . 1 1 108 108 LEU CA C 108 55.782 55.782 57.652 -1.870 19395 11391 1 18 . 1 1 108 108 LEU CB C 108 45.820 45.820 40.834 4.986 19395 11392 1 18 . 1 1 108 108 LEU H H 108 7.598 7.598 8.031 -0.433 19395 11393 1 18 . 1 1 109 109 GLY N N 109 111.143 111.143 103.597 7.546 19395 11394 1 18 . 1 1 109 109 GLY CA C 109 47.641 47.641 45.952 1.689 19395 11395 1 18 . 1 1 109 109 GLY H H 109 10.576 10.576 8.124 2.452 19395 11396 1 18 . 1 1 110 110 ARG N N 110 127.464 127.464 122.999 4.465 19395 11397 1 18 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.900 -0.345 19395 11398 1 18 . 1 1 110 110 ARG CA C 110 60.426 60.426 59.005 1.421 19395 11399 1 18 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.124 3.059 19395 11400 1 18 . 1 1 110 110 ARG H H 110 10.234 10.234 8.685 1.549 19395 11401 1 18 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.304 -0.420 19395 11402 1 18 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.351 1.181 19395 11403 1 18 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.568 -0.659 19395 11404 1 18 . 1 1 113 113 VAL N N 113 116.720 116.720 120.293 -3.573 19395 11405 1 18 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.683 -0.123 19395 11406 1 18 . 1 1 113 113 VAL CA C 113 66.730 66.730 67.012 -0.282 19395 11407 1 18 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.434 -0.911 19395 11408 1 18 . 1 1 113 113 VAL H H 113 8.340 8.340 8.459 -0.119 19395 11409 1 18 . 1 1 114 114 LEU N N 114 119.045 119.045 119.567 -0.522 19395 11410 1 18 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.158 -0.500 19395 11411 1 18 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.319 -0.289 19395 11412 1 18 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.022 -2.223 19395 11413 1 18 . 1 1 114 114 LEU H H 114 6.990 6.990 8.345 -1.355 19395 11414 1 18 . 1 1 115 115 VAL N N 115 120.270 120.270 115.424 4.846 19395 11415 1 18 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.404 -0.361 19395 11416 1 18 . 1 1 115 115 VAL CA C 115 67.509 67.509 66.152 1.357 19395 11417 1 18 . 1 1 115 115 VAL CB C 115 30.787 30.787 30.902 -0.115 19395 11418 1 18 . 1 1 115 115 VAL H H 115 7.188 7.188 7.762 -0.574 19395 11419 1 18 . 1 1 116 116 ALA N N 116 121.280 121.280 123.728 -2.448 19395 11420 1 18 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.075 -0.314 19395 11421 1 18 . 1 1 116 116 ALA CA C 116 55.857 55.857 54.998 0.859 19395 11422 1 18 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.479 -0.611 19395 11423 1 18 . 1 1 116 116 ALA H H 116 8.649 8.649 8.150 0.499 19395 11424 1 18 . 1 1 117 117 LEU N N 117 116.557 116.557 120.162 -3.605 19395 11425 1 18 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.860 -0.092 19395 11426 1 18 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.841 0.519 19395 11427 1 18 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.782 2.285 19395 11428 1 18 . 1 1 117 117 LEU H H 117 8.048 8.048 7.640 0.408 19395 11429 1 18 . 1 1 118 118 ALA N N 118 119.916 119.916 120.037 -0.121 19395 11430 1 18 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.631 0.438 19395 11431 1 18 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.389 0.975 19395 11432 1 18 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.580 1.047 19395 11433 1 18 . 1 1 118 118 ALA H H 118 7.691 7.691 6.616 1.075 19395 11434 1 18 . 1 1 119 119 LEU N N 119 116.962 116.962 119.927 -2.965 19395 11435 1 18 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.055 -0.180 19395 11436 1 18 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.654 0.771 19395 11437 1 18 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.612 -1.827 19395 11438 1 18 . 1 1 119 119 LEU H H 119 7.988 7.988 7.460 0.528 19395 11439 1 18 . 1 1 120 120 ILE N N 120 123.209 123.209 119.236 3.973 19395 11440 1 18 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.949 0.800 19395 11441 1 18 . 1 1 120 120 ILE CA C 120 64.104 64.104 64.440 -0.336 19395 11442 1 18 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.738 1.504 19395 11443 1 18 . 1 1 120 120 ILE H H 120 8.643 8.643 8.380 0.263 19395 11444 1 18 . 1 1 121 121 GLU N N 121 121.219 121.219 118.541 2.678 19395 11445 1 18 . 1 1 121 121 GLU HA H 121 4.508 4.508 4.100 0.408 19395 11446 1 18 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.110 0.029 19395 11447 1 18 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.982 0.251 19395 11448 1 18 . 1 1 121 121 GLU H H 121 8.680 8.680 7.833 0.847 19395 11449 1 18 . 1 1 122 122 SER N N 122 114.306 114.306 113.691 0.615 19395 11450 1 18 . 1 1 122 122 SER HA H 122 4.783 4.783 4.294 0.489 19395 11451 1 18 . 1 1 122 122 SER CA C 122 58.581 58.581 59.930 -1.349 19395 11452 1 18 . 1 1 122 122 SER CB C 122 64.656 64.656 63.769 0.887 19395 11453 1 18 . 1 1 122 122 SER H H 122 7.834 7.834 7.938 -0.104 19395 11454 1 18 . 1 1 123 123 GLY N N 123 108.666 108.666 108.979 -0.313 19395 11455 1 18 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.533 0.547 19395 11456 1 18 . 1 1 123 123 GLY H H 123 7.902 7.902 7.707 0.195 19395 11457 1 18 . 1 1 124 124 MET N N 124 123.358 123.358 120.230 3.128 19395 11458 1 18 . 1 1 124 124 MET HA H 124 4.258 4.258 4.689 -0.431 19395 11459 1 18 . 1 1 124 124 MET CA C 124 56.698 56.698 53.411 3.287 19395 11460 1 18 . 1 1 124 124 MET CB C 124 34.104 34.104 35.902 -1.798 19395 11461 1 18 . 1 1 124 124 MET H H 124 7.970 7.970 7.558 0.412 19395 11462 1 18 . 1 1 125 125 LYS N N 125 125.848 125.848 124.268 1.580 19395 11463 1 18 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.381 -0.087 19395 11464 1 18 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.432 0.477 19395 11465 1 18 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.464 0.273 19395 11466 1 18 . 1 1 125 125 LYS H H 125 8.903 8.903 8.520 0.383 19395 11467 1 18 . 1 1 126 126 TYR N N 126 124.016 124.016 127.453 -3.437 19395 11468 1 18 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.981 0.079 19395 11469 1 18 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.343 -0.609 19395 11470 1 18 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.842 0.100 19395 11471 1 18 . 1 1 126 126 TYR H H 126 9.242 9.242 9.095 0.147 19395 11472 1 18 . 1 1 127 127 GLU N N 127 119.702 119.702 117.924 1.778 19395 11473 1 18 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.268 0.125 19395 11474 1 18 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.978 0.237 19395 11475 1 18 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.576 0.409 19395 11476 1 18 . 1 1 127 127 GLU H H 127 9.102 9.102 8.653 0.449 19395 11477 1 18 . 1 1 128 128 ASP N N 128 118.661 118.661 119.952 -1.291 19395 11478 1 18 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.305 0.106 19395 11479 1 18 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.065 -0.490 19395 11480 1 18 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.017 0.089 19395 11481 1 18 . 1 1 128 128 ASP H H 128 6.782 6.782 8.179 -1.397 19395 11482 1 18 . 1 1 129 129 ALA N N 129 125.068 125.068 122.179 2.889 19395 11483 1 18 . 1 1 129 129 ALA HA H 129 4.227 4.227 3.993 0.234 19395 11484 1 18 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.145 0.267 19395 11485 1 18 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.460 -0.148 19395 11486 1 18 . 1 1 129 129 ALA H H 129 8.365 8.365 8.414 -0.049 19395 11487 1 18 . 1 1 130 130 ILE N N 130 115.533 115.533 119.458 -3.925 19395 11488 1 18 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.660 -0.169 19395 11489 1 18 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.833 1.283 19395 11490 1 18 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.418 0.368 19395 11491 1 18 . 1 1 130 130 ILE H H 130 8.044 8.044 8.093 -0.049 19395 11492 1 18 . 1 1 131 131 GLN N N 131 118.503 118.503 117.985 0.518 19395 11493 1 18 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.980 0.036 19395 11494 1 18 . 1 1 131 131 GLN CA C 131 58.791 58.791 58.459 0.333 19395 11495 1 18 . 1 1 131 131 GLN CB C 131 28.439 28.439 27.910 0.528 19395 11496 1 18 . 1 1 131 131 GLN H H 131 7.426 7.426 8.056 -0.630 19395 11497 1 18 . 1 1 132 132 PHE N N 132 120.679 120.679 121.413 -0.734 19395 11498 1 18 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.249 0.074 19395 11499 1 18 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.544 -0.369 19395 11500 1 18 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.031 0.820 19395 11501 1 18 . 1 1 132 132 PHE H H 132 8.416 8.416 7.805 0.611 19395 11502 1 18 . 1 1 133 133 ILE N N 133 116.466 116.466 115.813 0.653 19395 11503 1 18 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.642 -0.153 19395 11504 1 18 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.043 -0.046 19395 11505 1 18 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.648 -0.086 19395 11506 1 18 . 1 1 133 133 ILE H H 133 7.964 7.964 8.054 -0.090 19395 11507 1 18 . 1 1 134 134 ARG N N 134 119.204 119.204 119.590 -0.386 19395 11508 1 18 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.095 0.227 19395 11509 1 18 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.028 1.132 19395 11510 1 18 . 1 1 134 134 ARG CB C 134 30.212 30.212 31.092 -0.880 19395 11511 1 18 . 1 1 134 134 ARG H H 134 8.449 8.449 8.245 0.204 19395 11512 1 18 . 1 1 135 135 GLN N N 135 117.511 117.511 118.654 -1.143 19395 11513 1 18 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.122 -0.085 19395 11514 1 18 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.264 0.073 19395 11515 1 18 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.462 -0.023 19395 11516 1 18 . 1 1 135 135 GLN H H 135 7.829 7.829 8.206 -0.377 19395 11517 1 18 . 1 1 136 136 LYS N N 136 116.364 116.364 117.016 -0.652 19395 11518 1 18 . 1 1 136 136 LYS HA H 136 4.294 4.294 3.987 0.307 19395 11519 1 18 . 1 1 136 136 LYS CA C 136 56.209 56.209 58.058 -1.849 19395 11520 1 18 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.367 0.612 19395 11521 1 18 . 1 1 136 136 LYS H H 136 7.280 7.280 7.786 -0.506 19395 11522 1 18 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.849 -1.004 19395 11523 1 18 . 1 1 140 140 ALA N N 140 121.841 121.841 122.081 -0.240 19395 11524 1 18 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.173 0.183 19395 11525 1 18 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.748 -0.421 19395 11526 1 18 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.455 0.119 19395 11527 1 18 . 1 1 140 140 ALA H H 140 7.553 7.553 8.106 -0.553 19395 11528 1 18 . 1 1 141 141 ILE N N 141 113.228 113.228 115.652 -2.424 19395 11529 1 18 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.061 -0.723 19395 11530 1 18 . 1 1 141 141 ILE CA C 141 65.889 65.889 60.199 5.690 19395 11531 1 18 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.695 -4.507 19395 11532 1 18 . 1 1 141 141 ILE H H 141 8.744 8.744 8.215 0.529 19395 11533 1 18 . 1 1 142 142 ASN N N 142 126.808 126.808 117.941 8.867 19395 11534 1 18 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.565 0.158 19395 11535 1 18 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.806 -3.723 19395 11536 1 18 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.950 -1.020 19395 11537 1 18 . 1 1 142 142 ASN H H 142 8.538 8.538 8.128 0.410 19395 11538 1 18 . 1 1 144 144 LYS HA H 144 4.167 4.167 4.010 0.157 19395 11539 1 18 . 1 1 145 145 GLN N N 145 120.931 120.931 118.412 2.519 19395 11540 1 18 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.059 -0.324 19395 11541 1 18 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.382 0.453 19395 11542 1 18 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.921 -0.118 19395 11543 1 18 . 1 1 145 145 GLN H H 145 8.737 8.737 7.628 1.109 19395 11544 1 18 . 1 1 146 146 LEU N N 146 122.433 122.433 120.650 1.783 19395 11545 1 18 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.189 -0.214 19395 11546 1 18 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.665 0.348 19395 11547 1 18 . 1 1 146 146 LEU CB C 146 41.796 41.796 42.071 -0.275 19395 11548 1 18 . 1 1 146 146 LEU H H 146 8.917 8.917 8.198 0.719 19395 11549 1 18 . 1 1 147 147 THR N N 147 115.378 115.378 112.570 2.808 19395 11550 1 18 . 1 1 147 147 THR HA H 147 3.936 3.936 3.829 0.107 19395 11551 1 18 . 1 1 147 147 THR CA C 147 66.512 66.512 66.111 0.401 19395 11552 1 18 . 1 1 147 147 THR CB C 147 68.865 68.865 68.807 0.058 19395 11553 1 18 . 1 1 147 147 THR H H 147 7.948 7.948 7.759 0.189 19395 11554 1 18 . 1 1 148 148 TYR N N 148 120.402 120.402 124.042 -3.640 19395 11555 1 18 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.098 -0.016 19395 11556 1 18 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.378 -0.183 19395 11557 1 18 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.186 -0.209 19395 11558 1 18 . 1 1 148 148 TYR H H 148 7.366 7.366 8.375 -1.009 19395 11559 1 18 . 1 1 149 149 LEU N N 149 119.957 119.957 118.928 1.029 19395 11560 1 18 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.399 0.329 19395 11561 1 18 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.667 0.874 19395 11562 1 18 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.508 2.055 19395 11563 1 18 . 1 1 149 149 LEU H H 149 7.968 7.968 7.575 0.393 19395 11564 1 18 . 1 1 150 150 GLU N N 150 120.132 120.132 117.242 2.890 19395 11565 1 18 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.580 -1.197 19395 11566 1 18 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.423 0.039 19395 11567 1 18 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.492 0.089 19395 11568 1 18 . 1 1 150 150 GLU H H 150 8.305 8.305 7.277 1.028 19395 11569 1 18 . 1 1 151 151 LYS N N 151 114.600 114.600 116.441 -1.841 19395 11570 1 18 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.168 -0.097 19395 11571 1 18 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.654 -1.022 19395 11572 1 18 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.671 -0.724 19395 11573 1 18 . 1 1 151 151 LYS H H 151 7.106 7.106 7.435 -0.329 19395 11574 1 18 . 1 1 152 152 TYR N N 152 123.664 123.664 121.815 1.849 19395 11575 1 18 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.189 -0.414 19395 11576 1 18 . 1 1 152 152 TYR CA C 152 59.659 59.659 59.005 0.654 19395 11577 1 18 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.774 -0.529 19395 11578 1 18 . 1 1 152 152 TYR H H 152 7.187 7.187 7.648 -0.461 19395 11579 1 18 . 1 1 153 153 ARG N N 153 130.321 130.321 125.293 5.028 19395 11580 1 18 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.528 0.237 19395 11581 1 18 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.957 -0.444 19395 11582 1 18 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.997 -1.817 19395 11583 1 18 . 1 1 153 153 ARG H H 153 7.760 7.760 7.713 0.047 19395 11584 1 18 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.967 -0.327 19395 11585 1 18 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.602 -0.547 19395 11586 1 18 . 1 1 154 154 PRO CB C 154 33.603 33.603 31.925 1.678 19395 11587 1 18 . 1 1 155 155 LYS N N 155 122.066 122.066 122.877 -0.811 19395 11588 1 18 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.080 0.358 19395 11589 1 18 . 1 1 155 155 LYS CA C 155 55.923 55.923 57.366 -1.443 19395 11590 1 18 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.490 0.953 19395 11591 1 18 . 1 1 155 155 LYS H H 155 9.586 9.586 8.473 1.113 19395 11592 1 18 . 1 1 156 156 GLN N N 156 117.702 117.702 114.751 2.951 19395 11593 1 18 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.170 0.196 19395 11594 1 18 . 1 1 156 156 GLN CA C 156 56.549 56.549 57.076 -0.527 19395 11595 1 18 . 1 1 156 156 GLN CB C 156 26.728 26.728 26.563 0.165 19395 11596 1 18 . 1 1 156 156 GLN H H 156 8.334 8.334 7.983 0.351 19395 11597 1 18 . 1 1 157 157 ARG N N 157 117.466 117.466 119.169 -1.703 19395 11598 1 18 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.398 -0.243 19395 11599 1 18 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.231 0.791 19395 11600 1 18 . 1 1 157 157 ARG CB C 157 30.769 30.769 31.192 -0.423 19395 11601 1 18 . 1 1 157 157 ARG H H 157 8.983 8.983 8.520 0.463 19395 11602 1 18 . 1 1 158 158 LEU N N 158 117.973 117.973 119.569 -1.596 19395 11603 1 18 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.133 0.496 19395 11604 1 18 . 1 1 158 158 LEU CA C 158 53.469 53.469 57.697 -4.228 19395 11605 1 18 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.041 -0.536 19395 11606 1 18 . 1 1 158 158 LEU H H 158 8.123 8.123 7.960 0.163 19395 11607 1 18 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.405 -0.292 19395 11608 1 18 . 1 1 161 161 LYS CA C 161 56.487 56.487 55.498 0.989 19395 11609 1 18 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.208 -1.034 19395 11610 1 18 . 1 1 161 161 LYS H H 161 7.856 7.856 8.440 -0.584 19395 11611 1 19 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.572 -0.225 19395 11612 1 19 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.844 -0.306 19395 11613 1 19 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.067 -0.275 19395 11614 1 19 . 1 1 8 8 ALA N N 8 126.708 126.708 125.866 0.842 19395 11615 1 19 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.882 -0.271 19395 11616 1 19 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.099 1.210 19395 11617 1 19 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.726 -1.521 19395 11618 1 19 . 1 1 8 8 ALA H H 8 8.399 8.399 8.225 0.174 19395 11619 1 19 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.403 0.248 19395 11620 1 19 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.384 0.199 19395 11621 1 19 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.742 -0.231 19395 11622 1 19 . 1 1 10 10 VAL N N 10 118.581 118.581 119.831 -1.250 19395 11623 1 19 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.406 -0.105 19395 11624 1 19 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.071 -0.237 19395 11625 1 19 . 1 1 10 10 VAL CB C 10 34.677 34.677 33.912 0.765 19395 11626 1 19 . 1 1 10 10 VAL H H 10 8.025 8.025 8.097 -0.072 19395 11627 1 19 . 1 1 11 11 GLU N N 11 129.673 129.673 129.465 0.208 19395 11628 1 19 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.050 0.035 19395 11629 1 19 . 1 1 11 11 GLU CA C 11 54.747 54.747 55.146 -0.399 19395 11630 1 19 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.206 0.924 19395 11631 1 19 . 1 1 11 11 GLU H H 11 8.723 8.723 8.878 -0.155 19395 11632 1 19 . 1 1 12 12 VAL N N 12 127.093 127.093 127.992 -0.899 19395 11633 1 19 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.529 -0.246 19395 11634 1 19 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.121 1.475 19395 11635 1 19 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.361 1.185 19395 11636 1 19 . 1 1 12 12 VAL H H 12 9.247 9.247 8.908 0.339 19395 11637 1 19 . 1 1 13 13 SER N N 13 123.385 123.385 125.396 -2.011 19395 11638 1 19 . 1 1 13 13 SER HA H 13 5.302 5.302 4.834 0.468 19395 11639 1 19 . 1 1 13 13 SER CA C 13 56.409 56.409 58.325 -1.916 19395 11640 1 19 . 1 1 13 13 SER CB C 13 64.981 64.981 63.467 1.514 19395 11641 1 19 . 1 1 13 13 SER H H 13 9.001 9.001 8.699 0.302 19395 11642 1 19 . 1 1 14 14 TYR N N 14 124.413 124.413 127.816 -3.403 19395 11643 1 19 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.560 -0.023 19395 11644 1 19 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.592 0.642 19395 11645 1 19 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.942 1.637 19395 11646 1 19 . 1 1 14 14 TYR H H 14 8.347 8.347 8.929 -0.582 19395 11647 1 19 . 1 1 15 15 LYS N N 15 125.130 125.130 119.325 5.805 19395 11648 1 19 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.992 -0.593 19395 11649 1 19 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.521 -0.147 19395 11650 1 19 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.281 -2.387 19395 11651 1 19 . 1 1 15 15 LYS H H 15 8.820 8.820 8.091 0.729 19395 11652 1 19 . 1 1 16 16 HIS N N 16 121.278 121.278 118.012 3.266 19395 11653 1 19 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.717 -0.267 19395 11654 1 19 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.255 1.483 19395 11655 1 19 . 1 1 16 16 HIS CB C 16 30.229 30.229 29.859 0.370 19395 11656 1 19 . 1 1 16 16 HIS H H 16 8.784 8.784 8.144 0.640 19395 11657 1 19 . 1 1 17 17 MET N N 17 120.113 120.113 115.203 4.910 19395 11658 1 19 . 1 1 17 17 MET HA H 17 2.326 2.326 4.772 -2.446 19395 11659 1 19 . 1 1 17 17 MET CA C 17 54.714 54.714 55.188 -0.474 19395 11660 1 19 . 1 1 17 17 MET CB C 17 34.848 34.848 35.570 -0.722 19395 11661 1 19 . 1 1 17 17 MET H H 17 8.106 8.106 7.405 0.701 19395 11662 1 19 . 1 1 18 18 ARG N N 18 121.252 121.252 120.823 0.429 19395 11663 1 19 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.331 -0.492 19395 11664 1 19 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.555 0.239 19395 11665 1 19 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.409 0.407 19395 11666 1 19 . 1 1 18 18 ARG H H 18 5.904 5.904 8.643 -2.739 19395 11667 1 19 . 1 1 19 19 PHE N N 19 121.195 121.195 122.952 -1.757 19395 11668 1 19 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.469 0.531 19395 11669 1 19 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.208 0.410 19395 11670 1 19 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.101 0.515 19395 11671 1 19 . 1 1 19 19 PHE H H 19 9.178 9.178 9.366 -0.188 19395 11672 1 19 . 1 1 20 20 LEU N N 20 123.804 123.804 121.807 1.997 19395 11673 1 19 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.219 -0.109 19395 11674 1 19 . 1 1 20 20 LEU CA C 20 52.568 52.568 54.133 -1.565 19395 11675 1 19 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.770 2.113 19395 11676 1 19 . 1 1 20 20 LEU H H 20 8.601 8.601 9.454 -0.853 19395 11677 1 19 . 1 1 21 21 ILE N N 21 126.661 126.661 122.199 4.462 19395 11678 1 19 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.297 -0.166 19395 11679 1 19 . 1 1 21 21 ILE CA C 21 60.828 60.828 59.038 1.790 19395 11680 1 19 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.107 1.102 19395 11681 1 19 . 1 1 21 21 ILE H H 21 9.323 9.323 9.161 0.162 19395 11682 1 19 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.351 -0.022 19395 11683 1 19 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.500 -1.682 19395 11684 1 19 . 1 1 25 25 PRO CB C 25 32.524 32.524 31.972 0.552 19395 11685 1 19 . 1 1 26 26 THR N N 26 131.812 131.812 116.112 15.700 19395 11686 1 19 . 1 1 26 26 THR H H 26 6.781 6.781 8.248 -1.467 19395 11687 1 19 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.121 0.223 19395 11688 1 19 . 1 1 28 28 ALA CA C 28 54.021 54.021 54.100 -0.079 19395 11689 1 19 . 1 1 28 28 ALA CB C 28 19.183 19.183 18.913 0.270 19395 11690 1 19 . 1 1 29 29 THR N N 29 104.375 104.375 110.579 -6.204 19395 11691 1 19 . 1 1 29 29 THR HA H 29 4.847 4.847 4.412 0.435 19395 11692 1 19 . 1 1 29 29 THR CA C 29 60.370 60.370 61.554 -1.185 19395 11693 1 19 . 1 1 29 29 THR CB C 29 69.135 69.135 70.387 -1.252 19395 11694 1 19 . 1 1 29 29 THR H H 29 7.642 7.642 7.599 0.043 19395 11695 1 19 . 1 1 30 30 LEU N N 30 124.383 124.383 121.940 2.443 19395 11696 1 19 . 1 1 30 30 LEU HA H 30 4.013 4.013 3.974 0.039 19395 11697 1 19 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.601 0.110 19395 11698 1 19 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.214 2.140 19395 11699 1 19 . 1 1 30 30 LEU H H 30 7.356 7.356 7.822 -0.466 19395 11700 1 19 . 1 1 31 31 SER N N 31 111.792 111.792 114.147 -2.355 19395 11701 1 19 . 1 1 31 31 SER H H 31 6.915 6.915 8.284 -1.369 19395 11702 1 19 . 1 1 32 32 THR N N 32 116.374 116.374 116.643 -0.269 19395 11703 1 19 . 1 1 32 32 THR HA H 32 4.109 4.109 4.133 -0.024 19395 11704 1 19 . 1 1 32 32 THR CA C 32 65.142 65.142 66.397 -1.255 19395 11705 1 19 . 1 1 32 32 THR CB C 32 68.628 68.628 68.863 -0.235 19395 11706 1 19 . 1 1 32 32 THR H H 32 7.589 7.589 7.918 -0.329 19395 11707 1 19 . 1 1 33 33 PHE N N 33 124.790 124.790 123.590 1.200 19395 11708 1 19 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.490 -0.015 19395 11709 1 19 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.642 0.408 19395 11710 1 19 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.462 1.377 19395 11711 1 19 . 1 1 33 33 PHE H H 33 7.644 7.644 7.653 -0.009 19395 11712 1 19 . 1 1 34 34 ILE N N 34 117.776 117.776 117.677 0.099 19395 11713 1 19 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.089 0.258 19395 11714 1 19 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.406 1.617 19395 11715 1 19 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.259 -5.613 19395 11716 1 19 . 1 1 34 34 ILE H H 34 8.535 8.535 8.641 -0.106 19395 11717 1 19 . 1 1 35 35 GLU N N 35 119.202 119.202 119.416 -0.214 19395 11718 1 19 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.966 -0.039 19395 11719 1 19 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.745 0.001 19395 11720 1 19 . 1 1 35 35 GLU CB C 35 29.375 29.375 28.977 0.398 19395 11721 1 19 . 1 1 35 35 GLU H H 35 7.512 7.512 7.533 -0.021 19395 11722 1 19 . 1 1 36 36 ASP N N 36 121.117 121.117 120.490 0.627 19395 11723 1 19 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.478 0.076 19395 11724 1 19 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.157 0.781 19395 11725 1 19 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.354 -0.235 19395 11726 1 19 . 1 1 36 36 ASP H H 36 8.049 8.049 8.330 -0.281 19395 11727 1 19 . 1 1 37 37 LEU N N 37 119.257 119.257 116.804 2.453 19395 11728 1 19 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.234 -0.481 19395 11729 1 19 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.795 0.708 19395 11730 1 19 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.092 -1.131 19395 11731 1 19 . 1 1 37 37 LEU H H 37 8.016 8.016 7.595 0.421 19395 11732 1 19 . 1 1 38 38 LYS N N 38 117.743 117.743 120.028 -2.285 19395 11733 1 19 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.090 0.008 19395 11734 1 19 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.404 -0.100 19395 11735 1 19 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.677 -0.409 19395 11736 1 19 . 1 1 38 38 LYS H H 38 8.336 8.336 7.898 0.438 19395 11737 1 19 . 1 1 39 39 LYS N N 39 122.164 122.164 117.804 4.360 19395 11738 1 19 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.093 0.063 19395 11739 1 19 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.848 0.585 19395 11740 1 19 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.047 0.364 19395 11741 1 19 . 1 1 39 39 LYS H H 39 8.113 8.113 8.189 -0.076 19395 11742 1 19 . 1 1 40 40 TYR N N 40 114.347 114.347 119.097 -4.750 19395 11743 1 19 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.337 0.058 19395 11744 1 19 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.475 0.175 19395 11745 1 19 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.565 1.131 19395 11746 1 19 . 1 1 40 40 TYR H H 40 7.626 7.626 7.930 -0.304 19395 11747 1 19 . 1 1 41 41 GLY N N 41 109.921 109.921 104.946 4.975 19395 11748 1 19 . 1 1 41 41 GLY CA C 41 46.766 46.766 44.959 1.807 19395 11749 1 19 . 1 1 41 41 GLY H H 41 7.878 7.878 7.447 0.431 19395 11750 1 19 . 1 1 42 42 ALA N N 42 123.757 123.757 122.766 0.991 19395 11751 1 19 . 1 1 42 42 ALA HA H 42 5.158 5.158 5.047 0.111 19395 11752 1 19 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.783 0.355 19395 11753 1 19 . 1 1 42 42 ALA CB C 42 19.909 19.909 20.896 -0.987 19395 11754 1 19 . 1 1 42 42 ALA H H 42 8.544 8.544 8.280 0.264 19395 11755 1 19 . 1 1 43 43 THR N N 43 109.574 109.574 114.101 -4.527 19395 11756 1 19 . 1 1 43 43 THR HA H 43 4.479 4.479 4.398 0.081 19395 11757 1 19 . 1 1 43 43 THR CA C 43 61.144 61.144 61.355 -0.211 19395 11758 1 19 . 1 1 43 43 THR CB C 43 69.180 69.180 68.456 0.725 19395 11759 1 19 . 1 1 43 43 THR H H 43 7.969 7.969 8.551 -0.582 19395 11760 1 19 . 1 1 44 44 THR N N 44 118.101 118.101 116.530 1.571 19395 11761 1 19 . 1 1 44 44 THR HA H 44 5.226 5.226 5.005 0.221 19395 11762 1 19 . 1 1 44 44 THR CA C 44 62.061 62.061 61.731 0.330 19395 11763 1 19 . 1 1 44 44 THR CB C 44 72.595 72.595 72.269 0.327 19395 11764 1 19 . 1 1 44 44 THR H H 44 7.458 7.458 7.438 0.020 19395 11765 1 19 . 1 1 45 45 VAL N N 45 127.571 127.571 124.709 2.862 19395 11766 1 19 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.532 0.170 19395 11767 1 19 . 1 1 45 45 VAL CA C 45 60.504 60.504 60.261 0.243 19395 11768 1 19 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.806 2.376 19395 11769 1 19 . 1 1 45 45 VAL H H 45 9.398 9.398 9.136 0.262 19395 11770 1 19 . 1 1 46 46 VAL N N 46 129.011 129.011 121.894 7.117 19395 11771 1 19 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.346 -0.016 19395 11772 1 19 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.316 -0.798 19395 11773 1 19 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.452 2.780 19395 11774 1 19 . 1 1 46 46 VAL H H 46 9.342 9.342 9.151 0.191 19395 11775 1 19 . 1 1 47 47 ARG N N 47 129.852 129.852 120.198 9.654 19395 11776 1 19 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.074 0.221 19395 11777 1 19 . 1 1 47 47 ARG CA C 47 56.019 56.019 57.082 -1.063 19395 11778 1 19 . 1 1 47 47 ARG CB C 47 30.817 30.817 29.919 0.898 19395 11779 1 19 . 1 1 47 47 ARG H H 47 9.037 9.037 8.189 0.848 19395 11780 1 19 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.653 -0.719 19395 11781 1 19 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.702 -2.014 19395 11782 1 19 . 1 1 49 49 CYS CB C 49 41.121 41.121 28.343 12.778 19395 11783 1 19 . 1 1 50 50 GLU N N 50 114.931 114.931 121.361 -6.430 19395 11784 1 19 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.171 -0.085 19395 11785 1 19 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.237 0.062 19395 11786 1 19 . 1 1 50 50 GLU CB C 50 29.445 29.445 28.107 1.338 19395 11787 1 19 . 1 1 50 50 GLU H H 50 8.669 8.669 8.253 0.416 19395 11788 1 19 . 1 1 51 51 VAL N N 51 122.453 122.453 119.160 3.293 19395 11789 1 19 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.222 -0.801 19395 11790 1 19 . 1 1 51 51 VAL CA C 51 64.120 64.120 62.018 2.102 19395 11791 1 19 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.258 -0.228 19395 11792 1 19 . 1 1 51 51 VAL H H 51 8.356 8.356 8.068 0.288 19395 11793 1 19 . 1 1 52 52 THR N N 52 118.382 118.382 114.840 3.542 19395 11794 1 19 . 1 1 52 52 THR HA H 52 4.525 4.525 4.337 0.188 19395 11795 1 19 . 1 1 52 52 THR CA C 52 61.197 61.197 61.675 -0.478 19395 11796 1 19 . 1 1 52 52 THR CB C 52 69.429 69.429 68.470 0.959 19395 11797 1 19 . 1 1 52 52 THR H H 52 8.936 8.936 8.102 0.834 19395 11798 1 19 . 1 1 53 53 TYR N N 53 116.747 116.747 121.753 -5.006 19395 11799 1 19 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.773 -0.011 19395 11800 1 19 . 1 1 53 53 TYR CA C 53 55.653 55.653 57.411 -1.758 19395 11801 1 19 . 1 1 53 53 TYR CB C 53 39.833 39.833 40.078 -0.244 19395 11802 1 19 . 1 1 53 53 TYR H H 53 7.040 7.040 7.710 -0.670 19395 11803 1 19 . 1 1 54 54 ASP N N 54 123.720 123.720 127.461 -3.741 19395 11804 1 19 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.254 0.254 19395 11805 1 19 . 1 1 54 54 ASP CA C 54 53.571 53.571 54.380 -0.809 19395 11806 1 19 . 1 1 54 54 ASP CB C 54 41.364 41.364 42.210 -0.846 19395 11807 1 19 . 1 1 54 54 ASP H H 54 9.280 9.280 8.338 0.942 19395 11808 1 19 . 1 1 55 55 LYS N N 55 121.455 121.455 119.894 1.561 19395 11809 1 19 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.223 0.296 19395 11810 1 19 . 1 1 55 55 LYS CA C 55 56.944 56.944 55.318 1.626 19395 11811 1 19 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.699 1.241 19395 11812 1 19 . 1 1 55 55 LYS H H 55 8.497 8.497 8.199 0.298 19395 11813 1 19 . 1 1 56 56 THR N N 56 120.743 120.743 118.780 1.963 19395 11814 1 19 . 1 1 56 56 THR HA H 56 4.120 4.120 4.550 -0.430 19395 11815 1 19 . 1 1 56 56 THR CA C 56 68.652 68.652 63.816 4.836 19395 11816 1 19 . 1 1 56 56 THR CB C 56 66.508 66.508 67.793 -1.285 19395 11817 1 19 . 1 1 56 56 THR H H 56 8.701 8.701 8.289 0.412 19395 11818 1 19 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.453 -0.162 19395 11819 1 19 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.443 0.390 19395 11820 1 19 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.304 0.086 19395 11821 1 19 . 1 1 58 58 LEU N N 58 116.313 116.313 117.483 -1.170 19395 11822 1 19 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.011 0.043 19395 11823 1 19 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.588 1.554 19395 11824 1 19 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.046 0.308 19395 11825 1 19 . 1 1 58 58 LEU H H 58 7.170 7.170 8.481 -1.311 19395 11826 1 19 . 1 1 59 59 GLU N N 59 120.470 120.470 119.324 1.146 19395 11827 1 19 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.082 0.309 19395 11828 1 19 . 1 1 59 59 GLU CA C 59 59.104 59.104 58.673 0.431 19395 11829 1 19 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.166 0.160 19395 11830 1 19 . 1 1 59 59 GLU H H 59 7.794 7.794 8.461 -0.667 19395 11831 1 19 . 1 1 60 60 LYS N N 60 119.911 119.911 119.096 0.815 19395 11832 1 19 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.232 -0.124 19395 11833 1 19 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.297 1.258 19395 11834 1 19 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.041 0.022 19395 11835 1 19 . 1 1 60 60 LYS H H 60 8.246 8.246 7.802 0.444 19395 11836 1 19 . 1 1 61 61 ASP N N 61 119.142 119.142 117.540 1.602 19395 11837 1 19 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.697 0.273 19395 11838 1 19 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.116 -0.337 19395 11839 1 19 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.676 1.211 19395 11840 1 19 . 1 1 61 61 ASP H H 61 7.235 7.235 7.645 -0.410 19395 11841 1 19 . 1 1 62 62 GLY N N 62 105.820 105.820 107.670 -1.850 19395 11842 1 19 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.913 0.129 19395 11843 1 19 . 1 1 62 62 GLY H H 62 7.742 7.742 7.535 0.207 19395 11844 1 19 . 1 1 63 63 ILE N N 63 123.074 123.074 119.342 3.732 19395 11845 1 19 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.219 0.119 19395 11846 1 19 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.209 -0.679 19395 11847 1 19 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.405 -0.887 19395 11848 1 19 . 1 1 63 63 ILE H H 63 7.870 7.870 7.758 0.112 19395 11849 1 19 . 1 1 64 64 THR N N 64 123.510 123.510 122.913 0.597 19395 11850 1 19 . 1 1 64 64 THR HA H 64 4.316 4.316 4.371 -0.055 19395 11851 1 19 . 1 1 64 64 THR CA C 64 63.015 63.015 62.439 0.576 19395 11852 1 19 . 1 1 64 64 THR CB C 64 70.376 70.376 69.388 0.988 19395 11853 1 19 . 1 1 64 64 THR H H 64 8.200 8.200 8.670 -0.470 19395 11854 1 19 . 1 1 65 65 VAL N N 65 128.299 128.299 128.033 0.266 19395 11855 1 19 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.148 0.900 19395 11856 1 19 . 1 1 65 65 VAL CA C 65 61.047 61.047 61.041 0.006 19395 11857 1 19 . 1 1 65 65 VAL CB C 65 33.117 33.117 31.986 1.131 19395 11858 1 19 . 1 1 65 65 VAL H H 65 8.919 8.919 8.675 0.244 19395 11859 1 19 . 1 1 66 66 VAL N N 66 129.962 129.962 129.722 0.240 19395 11860 1 19 . 1 1 66 66 VAL HA H 66 3.927 3.927 3.919 0.008 19395 11861 1 19 . 1 1 66 66 VAL CA C 66 60.683 60.683 61.214 -0.531 19395 11862 1 19 . 1 1 66 66 VAL CB C 66 33.620 33.620 30.917 2.703 19395 11863 1 19 . 1 1 66 66 VAL H H 66 9.145 9.145 7.877 1.268 19395 11864 1 19 . 1 1 67 67 ASP N N 67 126.437 126.437 123.750 2.687 19395 11865 1 19 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.705 0.614 19395 11866 1 19 . 1 1 67 67 ASP CA C 67 54.170 54.170 51.640 2.530 19395 11867 1 19 . 1 1 67 67 ASP CB C 67 43.071 43.071 40.993 2.078 19395 11868 1 19 . 1 1 67 67 ASP H H 67 8.099 8.099 7.155 0.944 19395 11869 1 19 . 1 1 68 68 TRP N N 68 125.863 125.863 121.254 4.609 19395 11870 1 19 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.750 0.790 19395 11871 1 19 . 1 1 68 68 TRP CA C 68 51.631 51.631 53.925 -2.293 19395 11872 1 19 . 1 1 68 68 TRP CB C 68 30.303 30.303 32.096 -1.793 19395 11873 1 19 . 1 1 68 68 TRP H H 68 8.305 8.305 7.382 0.923 19395 11874 1 19 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.506 -0.521 19395 11875 1 19 . 1 1 69 69 PRO CA C 69 62.943 62.943 62.971 -0.028 19395 11876 1 19 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.402 1.142 19395 11877 1 19 . 1 1 70 70 PHE N N 70 113.153 113.153 117.414 -4.261 19395 11878 1 19 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.489 0.271 19395 11879 1 19 . 1 1 70 70 PHE CA C 70 56.067 56.067 56.310 -0.243 19395 11880 1 19 . 1 1 70 70 PHE CB C 70 39.334 39.334 38.567 0.767 19395 11881 1 19 . 1 1 70 70 PHE H H 70 7.237 7.237 8.251 -1.014 19395 11882 1 19 . 1 1 71 71 ASP N N 71 120.632 120.632 121.653 -1.021 19395 11883 1 19 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.632 -0.350 19395 11884 1 19 . 1 1 71 71 ASP CA C 71 55.907 55.907 53.899 2.008 19395 11885 1 19 . 1 1 71 71 ASP CB C 71 41.099 41.099 39.623 1.476 19395 11886 1 19 . 1 1 71 71 ASP H H 71 8.514 8.514 8.069 0.445 19395 11887 1 19 . 1 1 73 73 GLY H H 73 8.510 8.510 8.273 0.237 19395 11888 1 19 . 1 1 74 74 ALA N N 74 123.138 123.138 125.048 -1.910 19395 11889 1 19 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.958 -0.118 19395 11890 1 19 . 1 1 74 74 ALA CA C 74 50.106 50.106 50.092 0.014 19395 11891 1 19 . 1 1 74 74 ALA CB C 74 20.264 20.264 20.584 -0.320 19395 11892 1 19 . 1 1 74 74 ALA H H 74 7.833 7.833 7.818 0.015 19395 11893 1 19 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.048 0.408 19395 11894 1 19 . 1 1 79 79 LYS N N 79 119.944 119.944 121.628 -1.684 19395 11895 1 19 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.395 -0.455 19395 11896 1 19 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.406 1.418 19395 11897 1 19 . 1 1 79 79 LYS CB C 79 32.310 32.310 33.156 -0.845 19395 11898 1 19 . 1 1 79 79 LYS H H 79 8.425 8.425 7.794 0.631 19395 11899 1 19 . 1 1 80 80 VAL N N 80 116.231 116.231 119.658 -3.427 19395 11900 1 19 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.833 -0.438 19395 11901 1 19 . 1 1 80 80 VAL CA C 80 64.913 64.913 64.999 -0.086 19395 11902 1 19 . 1 1 80 80 VAL CB C 80 31.293 31.293 31.602 -0.309 19395 11903 1 19 . 1 1 80 80 VAL H H 80 6.338 6.338 8.284 -1.946 19395 11904 1 19 . 1 1 81 81 VAL N N 81 118.082 118.082 115.591 2.491 19395 11905 1 19 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.618 -0.433 19395 11906 1 19 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.365 2.259 19395 11907 1 19 . 1 1 81 81 VAL CB C 81 31.645 31.645 31.074 0.571 19395 11908 1 19 . 1 1 81 81 VAL H H 81 7.362 7.362 7.976 -0.614 19395 11909 1 19 . 1 1 82 82 GLU N N 82 117.196 117.196 119.006 -1.810 19395 11910 1 19 . 1 1 82 82 GLU HA H 82 3.936 3.936 4.002 -0.066 19395 11911 1 19 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.879 -0.385 19395 11912 1 19 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.005 0.446 19395 11913 1 19 . 1 1 82 82 GLU H H 82 7.878 7.878 7.796 0.082 19395 11914 1 19 . 1 1 83 83 ASP N N 83 121.828 121.828 120.297 1.531 19395 11915 1 19 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.266 -0.027 19395 11916 1 19 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.315 0.964 19395 11917 1 19 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.222 -1.073 19395 11918 1 19 . 1 1 83 83 ASP H H 83 8.156 8.156 7.554 0.602 19395 11919 1 19 . 1 1 84 84 TRP N N 84 124.374 124.374 122.127 2.247 19395 11920 1 19 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.227 0.697 19395 11921 1 19 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.646 -0.624 19395 11922 1 19 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.748 0.062 19395 11923 1 19 . 1 1 84 84 TRP H H 84 8.939 8.939 8.132 0.807 19395 11924 1 19 . 1 1 85 85 LEU N N 85 117.918 117.918 117.234 0.684 19395 11925 1 19 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.010 -0.250 19395 11926 1 19 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.611 0.387 19395 11927 1 19 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.279 1.050 19395 11928 1 19 . 1 1 85 85 LEU H H 85 8.723 8.723 8.058 0.665 19395 11929 1 19 . 1 1 86 86 SER N N 86 114.182 114.182 114.992 -0.810 19395 11930 1 19 . 1 1 86 86 SER HA H 86 4.187 4.187 4.161 0.026 19395 11931 1 19 . 1 1 86 86 SER CA C 86 61.997 61.997 61.775 0.222 19395 11932 1 19 . 1 1 86 86 SER CB C 86 62.984 62.984 63.075 -0.091 19395 11933 1 19 . 1 1 86 86 SER H H 86 8.067 8.067 8.035 0.032 19395 11934 1 19 . 1 1 87 87 LEU N N 87 125.441 125.441 123.276 2.165 19395 11935 1 19 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.106 0.104 19395 11936 1 19 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.120 0.818 19395 11937 1 19 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.579 1.000 19395 11938 1 19 . 1 1 87 87 LEU H H 87 8.300 8.300 8.237 0.063 19395 11939 1 19 . 1 1 88 88 VAL N N 88 116.784 116.784 118.826 -2.042 19395 11940 1 19 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.660 -0.594 19395 11941 1 19 . 1 1 88 88 VAL CA C 88 66.385 66.385 67.163 -0.778 19395 11942 1 19 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.281 -0.517 19395 11943 1 19 . 1 1 88 88 VAL H H 88 8.468 8.468 7.958 0.510 19395 11944 1 19 . 1 1 89 89 LYS N N 89 118.569 118.569 118.398 0.171 19395 11945 1 19 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.356 -0.331 19395 11946 1 19 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.931 0.545 19395 11947 1 19 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.359 0.497 19395 11948 1 19 . 1 1 89 89 LYS H H 89 7.652 7.652 8.597 -0.945 19395 11949 1 19 . 1 1 90 90 ALA N N 90 119.043 119.043 121.588 -2.545 19395 11950 1 19 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.298 -0.147 19395 11951 1 19 . 1 1 90 90 ALA CA C 90 55.045 55.045 54.013 1.032 19395 11952 1 19 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.667 -1.213 19395 11953 1 19 . 1 1 90 90 ALA H H 90 7.616 7.616 7.912 -0.296 19395 11954 1 19 . 1 1 91 91 LYS N N 91 117.654 117.654 120.471 -2.817 19395 11955 1 19 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.980 -0.043 19395 11956 1 19 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.030 -1.276 19395 11957 1 19 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.981 -1.818 19395 11958 1 19 . 1 1 91 91 LYS H H 91 8.658 8.658 8.584 0.074 19395 11959 1 19 . 1 1 92 92 PHE N N 92 113.471 113.471 118.423 -4.952 19395 11960 1 19 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.370 0.249 19395 11961 1 19 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.223 -0.628 19395 11962 1 19 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.033 -1.349 19395 11963 1 19 . 1 1 92 92 PHE H H 92 7.472 7.472 8.480 -1.008 19395 11964 1 19 . 1 1 93 93 CYS N N 93 117.138 117.138 118.677 -1.539 19395 11965 1 19 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.718 0.645 19395 11966 1 19 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.848 2.116 19395 11967 1 19 . 1 1 93 93 CYS CB C 93 27.478 27.478 28.072 -0.594 19395 11968 1 19 . 1 1 93 93 CYS H H 93 7.562 7.562 7.540 0.022 19395 11969 1 19 . 1 1 94 94 GLU N N 94 118.594 118.594 119.961 -1.367 19395 11970 1 19 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.287 -0.160 19395 11971 1 19 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.606 1.435 19395 11972 1 19 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.005 0.068 19395 11973 1 19 . 1 1 94 94 GLU H H 94 8.236 8.236 8.395 -0.159 19395 11974 1 19 . 1 1 95 95 ALA N N 95 121.081 121.081 122.747 -1.666 19395 11975 1 19 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.726 0.151 19395 11976 1 19 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.181 0.188 19395 11977 1 19 . 1 1 95 95 ALA CB C 95 18.124 18.124 20.621 -2.497 19395 11978 1 19 . 1 1 95 95 ALA H H 95 7.898 7.898 7.522 0.376 19395 11979 1 19 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.401 0.422 19395 11980 1 19 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.333 0.634 19395 11981 1 19 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.466 1.090 19395 11982 1 19 . 1 1 97 97 GLY N N 97 113.478 113.478 114.384 -0.906 19395 11983 1 19 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.889 -0.189 19395 11984 1 19 . 1 1 97 97 GLY H H 97 9.198 9.198 8.392 0.806 19395 11985 1 19 . 1 1 98 98 SER N N 98 115.643 115.643 114.783 0.860 19395 11986 1 19 . 1 1 98 98 SER HA H 98 4.560 4.560 4.280 0.280 19395 11987 1 19 . 1 1 98 98 SER CA C 98 58.923 58.923 59.822 -0.899 19395 11988 1 19 . 1 1 98 98 SER CB C 98 64.427 64.427 64.056 0.371 19395 11989 1 19 . 1 1 98 98 SER H H 98 8.066 8.066 7.854 0.212 19395 11990 1 19 . 1 1 99 99 CYS N N 99 115.484 115.484 116.560 -1.076 19395 11991 1 19 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.270 0.127 19395 11992 1 19 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.508 -1.722 19395 11993 1 19 . 1 1 99 99 CYS CB C 99 29.985 29.985 32.085 -2.100 19395 11994 1 19 . 1 1 99 99 CYS H H 99 7.532 7.532 8.439 -0.907 19395 11995 1 19 . 1 1 100 100 VAL N N 100 128.065 128.065 120.139 7.926 19395 11996 1 19 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.460 -0.152 19395 11997 1 19 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.375 2.256 19395 11998 1 19 . 1 1 100 100 VAL CB C 100 34.384 34.384 34.331 0.053 19395 11999 1 19 . 1 1 100 100 VAL H H 100 8.392 8.392 8.589 -0.197 19395 12000 1 19 . 1 1 101 101 ALA N N 101 130.346 130.346 131.316 -0.970 19395 12001 1 19 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.763 0.997 19395 12002 1 19 . 1 1 101 101 ALA CA C 101 50.101 50.101 50.768 -0.667 19395 12003 1 19 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.366 1.752 19395 12004 1 19 . 1 1 101 101 ALA H H 101 8.882 8.882 7.983 0.899 19395 12005 1 19 . 1 1 102 102 VAL N N 102 120.866 120.866 119.027 1.839 19395 12006 1 19 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.681 0.942 19395 12007 1 19 . 1 1 102 102 VAL CA C 102 58.795 58.795 59.913 -1.118 19395 12008 1 19 . 1 1 102 102 VAL CB C 102 35.140 35.140 36.276 -1.136 19395 12009 1 19 . 1 1 102 102 VAL H H 102 9.359 9.359 8.837 0.522 19395 12010 1 19 . 1 1 103 103 HIS N N 103 120.019 120.019 123.973 -3.954 19395 12011 1 19 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.646 0.137 19395 12012 1 19 . 1 1 103 103 HIS CA C 103 55.292 55.292 57.695 -2.403 19395 12013 1 19 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.971 2.061 19395 12014 1 19 . 1 1 103 103 HIS H H 103 8.749 8.749 8.614 0.135 19395 12015 1 19 . 1 1 104 104 CYS N N 104 118.175 118.175 124.582 -6.407 19395 12016 1 19 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.682 0.015 19395 12017 1 19 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.962 -1.697 19395 12018 1 19 . 1 1 104 104 CYS CB C 104 33.179 33.179 31.157 2.022 19395 12019 1 19 . 1 1 104 104 CYS H H 104 8.428 8.428 8.039 0.389 19395 12020 1 19 . 1 1 105 105 VAL N N 105 125.962 125.962 126.087 -0.125 19395 12021 1 19 . 1 1 105 105 VAL HA H 105 4.219 4.219 3.925 0.294 19395 12022 1 19 . 1 1 105 105 VAL CA C 105 66.483 66.483 64.496 1.988 19395 12023 1 19 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.394 -0.011 19395 12024 1 19 . 1 1 105 105 VAL H H 105 8.422 8.422 8.758 -0.336 19395 12025 1 19 . 1 1 106 106 ALA N N 106 123.180 123.180 119.688 3.492 19395 12026 1 19 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.448 0.247 19395 12027 1 19 . 1 1 106 106 ALA CA C 106 52.862 52.862 52.258 0.604 19395 12028 1 19 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.695 0.428 19395 12029 1 19 . 1 1 106 106 ALA H H 106 9.997 9.997 8.496 1.501 19395 12030 1 19 . 1 1 107 107 GLY N N 107 109.076 109.076 106.498 2.578 19395 12031 1 19 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.508 2.111 19395 12032 1 19 . 1 1 107 107 GLY H H 107 8.019 8.019 7.893 0.126 19395 12033 1 19 . 1 1 108 108 LEU N N 108 117.413 117.413 123.226 -5.813 19395 12034 1 19 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.776 0.688 19395 12035 1 19 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.229 0.553 19395 12036 1 19 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.522 4.298 19395 12037 1 19 . 1 1 108 108 LEU H H 108 7.598 7.598 8.365 -0.767 19395 12038 1 19 . 1 1 109 109 GLY N N 109 111.143 111.143 107.321 3.822 19395 12039 1 19 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.569 0.072 19395 12040 1 19 . 1 1 109 109 GLY H H 109 10.576 10.576 8.711 1.865 19395 12041 1 19 . 1 1 110 110 ARG N N 110 127.464 127.464 123.294 4.170 19395 12042 1 19 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.784 -0.229 19395 12043 1 19 . 1 1 110 110 ARG CA C 110 60.426 60.426 58.822 1.604 19395 12044 1 19 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.436 2.747 19395 12045 1 19 . 1 1 110 110 ARG H H 110 10.234 10.234 8.346 1.888 19395 12046 1 19 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.205 -0.321 19395 12047 1 19 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.515 1.017 19395 12048 1 19 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.483 -0.574 19395 12049 1 19 . 1 1 113 113 VAL N N 113 116.720 116.720 119.373 -2.653 19395 12050 1 19 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.645 -0.085 19395 12051 1 19 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.066 0.664 19395 12052 1 19 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.351 -0.828 19395 12053 1 19 . 1 1 113 113 VAL H H 113 8.340 8.340 8.369 -0.029 19395 12054 1 19 . 1 1 114 114 LEU N N 114 119.045 119.045 120.019 -0.974 19395 12055 1 19 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.383 -0.725 19395 12056 1 19 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.229 -0.199 19395 12057 1 19 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.267 -2.468 19395 12058 1 19 . 1 1 114 114 LEU H H 114 6.990 6.990 8.331 -1.341 19395 12059 1 19 . 1 1 115 115 VAL N N 115 120.270 120.270 116.171 4.099 19395 12060 1 19 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.389 -0.346 19395 12061 1 19 . 1 1 115 115 VAL CA C 115 67.509 67.509 66.067 1.442 19395 12062 1 19 . 1 1 115 115 VAL CB C 115 30.787 30.787 31.076 -0.289 19395 12063 1 19 . 1 1 115 115 VAL H H 115 7.188 7.188 7.707 -0.519 19395 12064 1 19 . 1 1 116 116 ALA N N 116 121.280 121.280 123.544 -2.264 19395 12065 1 19 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.067 -0.306 19395 12066 1 19 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.157 0.700 19395 12067 1 19 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.584 -0.716 19395 12068 1 19 . 1 1 116 116 ALA H H 116 8.649 8.649 8.642 0.007 19395 12069 1 19 . 1 1 117 117 LEU N N 117 116.557 116.557 120.398 -3.841 19395 12070 1 19 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.839 -0.071 19395 12071 1 19 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.775 0.585 19395 12072 1 19 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.839 2.228 19395 12073 1 19 . 1 1 117 117 LEU H H 117 8.048 8.048 7.487 0.561 19395 12074 1 19 . 1 1 118 118 ALA N N 118 119.916 119.916 119.798 0.118 19395 12075 1 19 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.529 0.540 19395 12076 1 19 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.288 1.076 19395 12077 1 19 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.340 1.287 19395 12078 1 19 . 1 1 118 118 ALA H H 118 7.691 7.691 6.791 0.900 19395 12079 1 19 . 1 1 119 119 LEU N N 119 116.962 116.962 120.081 -3.119 19395 12080 1 19 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.024 -0.149 19395 12081 1 19 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.493 0.932 19395 12082 1 19 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.728 -1.944 19395 12083 1 19 . 1 1 119 119 LEU H H 119 7.988 7.988 7.458 0.530 19395 12084 1 19 . 1 1 120 120 ILE N N 120 123.209 123.209 119.083 4.126 19395 12085 1 19 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.884 0.865 19395 12086 1 19 . 1 1 120 120 ILE CA C 120 64.104 64.104 64.277 -0.173 19395 12087 1 19 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.600 1.642 19395 12088 1 19 . 1 1 120 120 ILE H H 120 8.643 8.643 8.406 0.237 19395 12089 1 19 . 1 1 121 121 GLU N N 121 121.219 121.219 118.538 2.681 19395 12090 1 19 . 1 1 121 121 GLU HA H 121 4.508 4.508 3.934 0.574 19395 12091 1 19 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.081 0.058 19395 12092 1 19 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.905 0.328 19395 12093 1 19 . 1 1 121 121 GLU H H 121 8.680 8.680 7.784 0.896 19395 12094 1 19 . 1 1 122 122 SER N N 122 114.306 114.306 112.005 2.301 19395 12095 1 19 . 1 1 122 122 SER HA H 122 4.783 4.783 4.221 0.562 19395 12096 1 19 . 1 1 122 122 SER CA C 122 58.581 58.581 59.887 -1.306 19395 12097 1 19 . 1 1 122 122 SER CB C 122 64.656 64.656 63.669 0.987 19395 12098 1 19 . 1 1 122 122 SER H H 122 7.834 7.834 7.804 0.030 19395 12099 1 19 . 1 1 123 123 GLY N N 123 108.666 108.666 109.333 -0.667 19395 12100 1 19 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.482 0.598 19395 12101 1 19 . 1 1 123 123 GLY H H 123 7.902 7.902 7.753 0.149 19395 12102 1 19 . 1 1 124 124 MET N N 124 123.358 123.358 119.975 3.383 19395 12103 1 19 . 1 1 124 124 MET HA H 124 4.258 4.258 4.617 -0.359 19395 12104 1 19 . 1 1 124 124 MET CA C 124 56.698 56.698 53.591 3.107 19395 12105 1 19 . 1 1 124 124 MET CB C 124 34.104 34.104 35.528 -1.424 19395 12106 1 19 . 1 1 124 124 MET H H 124 7.970 7.970 7.396 0.574 19395 12107 1 19 . 1 1 125 125 LYS N N 125 125.848 125.848 124.062 1.786 19395 12108 1 19 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.355 -0.061 19395 12109 1 19 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.407 0.502 19395 12110 1 19 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.103 0.633 19395 12111 1 19 . 1 1 125 125 LYS H H 125 8.903 8.903 8.418 0.485 19395 12112 1 19 . 1 1 126 126 TYR N N 126 124.016 124.016 128.034 -4.018 19395 12113 1 19 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.927 0.133 19395 12114 1 19 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.447 -0.713 19395 12115 1 19 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.797 0.145 19395 12116 1 19 . 1 1 126 126 TYR H H 126 9.242 9.242 9.137 0.105 19395 12117 1 19 . 1 1 127 127 GLU N N 127 119.702 119.702 118.031 1.671 19395 12118 1 19 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.196 0.197 19395 12119 1 19 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.578 0.637 19395 12120 1 19 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.573 0.412 19395 12121 1 19 . 1 1 127 127 GLU H H 127 9.102 9.102 8.618 0.484 19395 12122 1 19 . 1 1 128 128 ASP N N 128 118.661 118.661 119.244 -0.583 19395 12123 1 19 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.322 0.089 19395 12124 1 19 . 1 1 128 128 ASP CA C 128 56.574 56.574 56.886 -0.312 19395 12125 1 19 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.512 -0.406 19395 12126 1 19 . 1 1 128 128 ASP H H 128 6.782 6.782 8.031 -1.249 19395 12127 1 19 . 1 1 129 129 ALA N N 129 125.068 125.068 122.465 2.603 19395 12128 1 19 . 1 1 129 129 ALA HA H 129 4.227 4.227 3.987 0.240 19395 12129 1 19 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.222 0.190 19395 12130 1 19 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.384 -0.072 19395 12131 1 19 . 1 1 129 129 ALA H H 129 8.365 8.365 8.427 -0.062 19395 12132 1 19 . 1 1 130 130 ILE N N 130 115.533 115.533 119.458 -3.925 19395 12133 1 19 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.650 -0.159 19395 12134 1 19 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.830 1.286 19395 12135 1 19 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.375 0.411 19395 12136 1 19 . 1 1 130 130 ILE H H 130 8.044 8.044 8.258 -0.214 19395 12137 1 19 . 1 1 131 131 GLN N N 131 118.503 118.503 117.939 0.564 19395 12138 1 19 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.987 0.029 19395 12139 1 19 . 1 1 131 131 GLN CA C 131 58.791 58.791 58.382 0.409 19395 12140 1 19 . 1 1 131 131 GLN CB C 131 28.439 28.439 27.920 0.519 19395 12141 1 19 . 1 1 131 131 GLN H H 131 7.426 7.426 7.948 -0.522 19395 12142 1 19 . 1 1 132 132 PHE N N 132 120.679 120.679 121.457 -0.778 19395 12143 1 19 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.266 0.057 19395 12144 1 19 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.384 -0.209 19395 12145 1 19 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.138 0.712 19395 12146 1 19 . 1 1 132 132 PHE H H 132 8.416 8.416 7.796 0.620 19395 12147 1 19 . 1 1 133 133 ILE N N 133 116.466 116.466 116.018 0.448 19395 12148 1 19 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.638 -0.149 19395 12149 1 19 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.121 -0.123 19395 12150 1 19 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.688 -0.127 19395 12151 1 19 . 1 1 133 133 ILE H H 133 7.964 7.964 8.198 -0.234 19395 12152 1 19 . 1 1 134 134 ARG N N 134 119.204 119.204 119.372 -0.168 19395 12153 1 19 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.184 0.138 19395 12154 1 19 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.516 0.644 19395 12155 1 19 . 1 1 134 134 ARG CB C 134 30.212 30.212 30.707 -0.495 19395 12156 1 19 . 1 1 134 134 ARG H H 134 8.449 8.449 8.382 0.067 19395 12157 1 19 . 1 1 135 135 GLN N N 135 117.511 117.511 118.429 -0.918 19395 12158 1 19 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.200 -0.163 19395 12159 1 19 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.025 0.312 19395 12160 1 19 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.270 0.169 19395 12161 1 19 . 1 1 135 135 GLN H H 135 7.829 7.829 7.970 -0.141 19395 12162 1 19 . 1 1 136 136 LYS N N 136 116.364 116.364 117.165 -0.801 19395 12163 1 19 . 1 1 136 136 LYS HA H 136 4.294 4.294 3.962 0.332 19395 12164 1 19 . 1 1 136 136 LYS CA C 136 56.209 56.209 57.922 -1.712 19395 12165 1 19 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.367 0.612 19395 12166 1 19 . 1 1 136 136 LYS H H 136 7.280 7.280 7.928 -0.648 19395 12167 1 19 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.774 -0.929 19395 12168 1 19 . 1 1 140 140 ALA N N 140 121.841 121.841 122.818 -0.977 19395 12169 1 19 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.188 0.168 19395 12170 1 19 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.582 -0.255 19395 12171 1 19 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.541 0.033 19395 12172 1 19 . 1 1 140 140 ALA H H 140 7.553 7.553 8.100 -0.547 19395 12173 1 19 . 1 1 141 141 ILE N N 141 113.228 113.228 116.721 -3.493 19395 12174 1 19 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.070 -0.732 19395 12175 1 19 . 1 1 141 141 ILE CA C 141 65.889 65.889 59.795 6.094 19395 12176 1 19 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.364 -4.176 19395 12177 1 19 . 1 1 141 141 ILE H H 141 8.744 8.744 8.295 0.449 19395 12178 1 19 . 1 1 142 142 ASN N N 142 126.808 126.808 117.653 9.155 19395 12179 1 19 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.471 0.252 19395 12180 1 19 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.347 -3.264 19395 12181 1 19 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.990 -1.060 19395 12182 1 19 . 1 1 142 142 ASN H H 142 8.538 8.538 8.014 0.524 19395 12183 1 19 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.934 0.233 19395 12184 1 19 . 1 1 145 145 GLN N N 145 120.931 120.931 117.629 3.302 19395 12185 1 19 . 1 1 145 145 GLN HA H 145 3.735 3.735 3.971 -0.236 19395 12186 1 19 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.432 0.403 19395 12187 1 19 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.672 0.131 19395 12188 1 19 . 1 1 145 145 GLN H H 145 8.737 8.737 8.529 0.208 19395 12189 1 19 . 1 1 146 146 LEU N N 146 122.433 122.433 119.827 2.606 19395 12190 1 19 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.208 -0.233 19395 12191 1 19 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.351 0.662 19395 12192 1 19 . 1 1 146 146 LEU CB C 146 41.796 41.796 42.101 -0.305 19395 12193 1 19 . 1 1 146 146 LEU H H 146 8.917 8.917 7.914 1.003 19395 12194 1 19 . 1 1 147 147 THR N N 147 115.378 115.378 112.805 2.573 19395 12195 1 19 . 1 1 147 147 THR HA H 147 3.936 3.936 3.878 0.058 19395 12196 1 19 . 1 1 147 147 THR CA C 147 66.512 66.512 66.326 0.186 19395 12197 1 19 . 1 1 147 147 THR CB C 147 68.865 68.865 68.790 0.075 19395 12198 1 19 . 1 1 147 147 THR H H 147 7.948 7.948 7.814 0.134 19395 12199 1 19 . 1 1 148 148 TYR N N 148 120.402 120.402 123.383 -2.981 19395 12200 1 19 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.108 -0.026 19395 12201 1 19 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.568 -0.373 19395 12202 1 19 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.425 -0.448 19395 12203 1 19 . 1 1 148 148 TYR H H 148 7.366 7.366 8.481 -1.115 19395 12204 1 19 . 1 1 149 149 LEU N N 149 119.957 119.957 118.808 1.149 19395 12205 1 19 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.582 0.146 19395 12206 1 19 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.517 1.024 19395 12207 1 19 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.694 1.869 19395 12208 1 19 . 1 1 149 149 LEU H H 149 7.968 7.968 7.525 0.443 19395 12209 1 19 . 1 1 150 150 GLU N N 150 120.132 120.132 117.091 3.041 19395 12210 1 19 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.531 -1.148 19395 12211 1 19 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.721 -0.259 19395 12212 1 19 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.645 -0.064 19395 12213 1 19 . 1 1 150 150 GLU H H 150 8.305 8.305 7.419 0.886 19395 12214 1 19 . 1 1 151 151 LYS N N 151 114.600 114.600 116.066 -1.466 19395 12215 1 19 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.145 -0.074 19395 12216 1 19 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.701 -1.069 19395 12217 1 19 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.355 -0.408 19395 12218 1 19 . 1 1 151 151 LYS H H 151 7.106 7.106 7.376 -0.270 19395 12219 1 19 . 1 1 152 152 TYR N N 152 123.664 123.664 122.045 1.619 19395 12220 1 19 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.133 -0.358 19395 12221 1 19 . 1 1 152 152 TYR CA C 152 59.659 59.659 58.949 0.710 19395 12222 1 19 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.649 -0.404 19395 12223 1 19 . 1 1 152 152 TYR H H 152 7.187 7.187 7.445 -0.258 19395 12224 1 19 . 1 1 153 153 ARG N N 153 130.321 130.321 127.249 3.072 19395 12225 1 19 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.584 0.181 19395 12226 1 19 . 1 1 153 153 ARG CA C 153 51.513 51.513 52.132 -0.619 19395 12227 1 19 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.531 -1.351 19395 12228 1 19 . 1 1 153 153 ARG H H 153 7.760 7.760 8.116 -0.356 19395 12229 1 19 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.662 -0.022 19395 12230 1 19 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.811 -0.756 19395 12231 1 19 . 1 1 154 154 PRO CB C 154 33.603 33.603 31.908 1.695 19395 12232 1 19 . 1 1 155 155 LYS N N 155 122.066 122.066 122.283 -0.217 19395 12233 1 19 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.238 0.200 19395 12234 1 19 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.178 -0.255 19395 12235 1 19 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.343 1.100 19395 12236 1 19 . 1 1 155 155 LYS H H 155 9.586 9.586 8.343 1.243 19395 12237 1 19 . 1 1 156 156 GLN N N 156 117.702 117.702 115.103 2.599 19395 12238 1 19 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.104 0.262 19395 12239 1 19 . 1 1 156 156 GLN CA C 156 56.549 56.549 57.036 -0.487 19395 12240 1 19 . 1 1 156 156 GLN CB C 156 26.728 26.728 25.809 0.919 19395 12241 1 19 . 1 1 156 156 GLN H H 156 8.334 8.334 8.204 0.130 19395 12242 1 19 . 1 1 157 157 ARG N N 157 117.466 117.466 118.704 -1.238 19395 12243 1 19 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.345 -0.190 19395 12244 1 19 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.697 0.326 19395 12245 1 19 . 1 1 157 157 ARG CB C 157 30.769 30.769 30.967 -0.198 19395 12246 1 19 . 1 1 157 157 ARG H H 157 8.983 8.983 8.635 0.348 19395 12247 1 19 . 1 1 158 158 LEU N N 158 117.973 117.973 117.506 0.467 19395 12248 1 19 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.302 0.327 19395 12249 1 19 . 1 1 158 158 LEU CA C 158 53.469 53.469 55.774 -2.305 19395 12250 1 19 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.684 -1.179 19395 12251 1 19 . 1 1 158 158 LEU H H 158 8.123 8.123 7.768 0.355 19395 12252 1 19 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.355 -0.242 19395 12253 1 19 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.473 2.014 19395 12254 1 19 . 1 1 161 161 LYS CB C 161 33.174 33.174 35.073 -1.899 19395 12255 1 19 . 1 1 161 161 LYS H H 161 7.856 7.856 7.938 -0.082 19395 12256 1 20 . 1 1 7 7 PRO HA H 7 4.347 4.347 4.450 -0.103 19395 12257 1 20 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.691 -0.153 19395 12258 1 20 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.724 -0.932 19395 12259 1 20 . 1 1 8 8 ALA N N 8 126.708 126.708 127.797 -1.089 19395 12260 1 20 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.947 -0.336 19395 12261 1 20 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.067 1.241 19395 12262 1 20 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.032 -0.827 19395 12263 1 20 . 1 1 8 8 ALA H H 8 8.399 8.399 8.322 0.077 19395 12264 1 20 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.346 0.305 19395 12265 1 20 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.279 0.304 19395 12266 1 20 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.644 -0.133 19395 12267 1 20 . 1 1 10 10 VAL N N 10 118.581 118.581 119.974 -1.393 19395 12268 1 20 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.339 -0.038 19395 12269 1 20 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.026 -0.194 19395 12270 1 20 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.361 0.315 19395 12271 1 20 . 1 1 10 10 VAL H H 10 8.025 8.025 7.992 0.033 19395 12272 1 20 . 1 1 11 11 GLU N N 11 129.673 129.673 129.577 0.096 19395 12273 1 20 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.029 0.056 19395 12274 1 20 . 1 1 11 11 GLU CA C 11 54.747 54.747 54.987 -0.240 19395 12275 1 20 . 1 1 11 11 GLU CB C 11 32.129 32.129 30.864 1.265 19395 12276 1 20 . 1 1 11 11 GLU H H 11 8.723 8.723 8.788 -0.065 19395 12277 1 20 . 1 1 12 12 VAL N N 12 127.093 127.093 128.424 -1.331 19395 12278 1 20 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.475 -0.192 19395 12279 1 20 . 1 1 12 12 VAL CA C 12 61.596 61.596 59.836 1.760 19395 12280 1 20 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.471 1.075 19395 12281 1 20 . 1 1 12 12 VAL H H 12 9.247 9.247 9.018 0.229 19395 12282 1 20 . 1 1 13 13 SER N N 13 123.385 123.385 125.500 -2.115 19395 12283 1 20 . 1 1 13 13 SER HA H 13 5.302 5.302 4.765 0.537 19395 12284 1 20 . 1 1 13 13 SER CA C 13 56.409 56.409 58.273 -1.864 19395 12285 1 20 . 1 1 13 13 SER CB C 13 64.981 64.981 63.167 1.814 19395 12286 1 20 . 1 1 13 13 SER H H 13 9.001 9.001 8.461 0.540 19395 12287 1 20 . 1 1 14 14 TYR N N 14 124.413 124.413 127.410 -2.997 19395 12288 1 20 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.433 0.104 19395 12289 1 20 . 1 1 14 14 TYR CA C 14 58.233 58.233 58.196 0.037 19395 12290 1 20 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.830 1.749 19395 12291 1 20 . 1 1 14 14 TYR H H 14 8.347 8.347 8.608 -0.261 19395 12292 1 20 . 1 1 15 15 LYS N N 15 125.130 125.130 118.632 6.498 19395 12293 1 20 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.964 -0.565 19395 12294 1 20 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.664 -0.291 19395 12295 1 20 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.376 -2.482 19395 12296 1 20 . 1 1 15 15 LYS H H 15 8.820 8.820 8.363 0.457 19395 12297 1 20 . 1 1 16 16 HIS N N 16 121.278 121.278 115.761 5.517 19395 12298 1 20 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.646 -0.196 19395 12299 1 20 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.491 1.247 19395 12300 1 20 . 1 1 16 16 HIS CB C 16 30.229 30.229 31.299 -1.070 19395 12301 1 20 . 1 1 16 16 HIS H H 16 8.784 8.784 8.195 0.589 19395 12302 1 20 . 1 1 17 17 MET N N 17 120.113 120.113 116.046 4.067 19395 12303 1 20 . 1 1 17 17 MET HA H 17 2.326 2.326 4.879 -2.553 19395 12304 1 20 . 1 1 17 17 MET CA C 17 54.714 54.714 53.518 1.196 19395 12305 1 20 . 1 1 17 17 MET CB C 17 34.848 34.848 35.349 -0.500 19395 12306 1 20 . 1 1 17 17 MET H H 17 8.106 8.106 7.606 0.500 19395 12307 1 20 . 1 1 18 18 ARG N N 18 121.252 121.252 121.536 -0.284 19395 12308 1 20 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.109 -0.270 19395 12309 1 20 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.135 0.659 19395 12310 1 20 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.215 0.601 19395 12311 1 20 . 1 1 18 18 ARG H H 18 5.904 5.904 8.381 -2.477 19395 12312 1 20 . 1 1 19 19 PHE N N 19 121.195 121.195 122.712 -1.517 19395 12313 1 20 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.204 0.796 19395 12314 1 20 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.228 0.390 19395 12315 1 20 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.192 0.424 19395 12316 1 20 . 1 1 19 19 PHE H H 19 9.178 9.178 9.338 -0.160 19395 12317 1 20 . 1 1 20 20 LEU N N 20 123.804 123.804 121.931 1.873 19395 12318 1 20 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.204 -0.094 19395 12319 1 20 . 1 1 20 20 LEU CA C 20 52.568 52.568 53.934 -1.366 19395 12320 1 20 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.764 2.119 19395 12321 1 20 . 1 1 20 20 LEU H H 20 8.601 8.601 9.369 -0.768 19395 12322 1 20 . 1 1 21 21 ILE N N 21 126.661 126.661 123.948 2.713 19395 12323 1 20 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.383 -0.252 19395 12324 1 20 . 1 1 21 21 ILE CA C 21 60.828 60.828 58.829 1.999 19395 12325 1 20 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.538 0.670 19395 12326 1 20 . 1 1 21 21 ILE H H 21 9.323 9.323 9.250 0.073 19395 12327 1 20 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.274 0.055 19395 12328 1 20 . 1 1 25 25 PRO CA C 25 61.818 61.818 64.421 -2.603 19395 12329 1 20 . 1 1 25 25 PRO CB C 25 32.524 32.524 32.435 0.089 19395 12330 1 20 . 1 1 26 26 THR N N 26 131.812 131.812 109.502 22.310 19395 12331 1 20 . 1 1 26 26 THR H H 26 6.781 6.781 7.372 -0.591 19395 12332 1 20 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.073 0.271 19395 12333 1 20 . 1 1 28 28 ALA CA C 28 54.021 54.021 54.333 -0.312 19395 12334 1 20 . 1 1 28 28 ALA CB C 28 19.183 19.183 18.948 0.235 19395 12335 1 20 . 1 1 29 29 THR N N 29 104.375 104.375 109.919 -5.544 19395 12336 1 20 . 1 1 29 29 THR HA H 29 4.847 4.847 4.338 0.509 19395 12337 1 20 . 1 1 29 29 THR CA C 29 60.370 60.370 61.925 -1.555 19395 12338 1 20 . 1 1 29 29 THR CB C 29 69.135 69.135 69.441 -0.306 19395 12339 1 20 . 1 1 29 29 THR H H 29 7.642 7.642 7.913 -0.271 19395 12340 1 20 . 1 1 30 30 LEU N N 30 124.383 124.383 122.154 2.229 19395 12341 1 20 . 1 1 30 30 LEU HA H 30 4.013 4.013 3.970 0.043 19395 12342 1 20 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.315 0.396 19395 12343 1 20 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.524 1.830 19395 12344 1 20 . 1 1 30 30 LEU H H 30 7.356 7.356 7.927 -0.571 19395 12345 1 20 . 1 1 31 31 SER N N 31 111.792 111.792 115.320 -3.528 19395 12346 1 20 . 1 1 31 31 SER H H 31 6.915 6.915 8.523 -1.608 19395 12347 1 20 . 1 1 32 32 THR N N 32 116.374 116.374 117.743 -1.369 19395 12348 1 20 . 1 1 32 32 THR HA H 32 4.109 4.109 4.135 -0.026 19395 12349 1 20 . 1 1 32 32 THR CA C 32 65.142 65.142 66.824 -1.682 19395 12350 1 20 . 1 1 32 32 THR CB C 32 68.628 68.628 68.813 -0.185 19395 12351 1 20 . 1 1 32 32 THR H H 32 7.589 7.589 8.149 -0.560 19395 12352 1 20 . 1 1 33 33 PHE N N 33 124.790 124.790 122.788 2.002 19395 12353 1 20 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.154 0.321 19395 12354 1 20 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.883 0.167 19395 12355 1 20 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.683 1.156 19395 12356 1 20 . 1 1 33 33 PHE H H 33 7.644 7.644 7.922 -0.278 19395 12357 1 20 . 1 1 34 34 ILE N N 34 117.776 117.776 118.781 -1.005 19395 12358 1 20 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.096 0.251 19395 12359 1 20 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.263 1.759 19395 12360 1 20 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.508 -5.862 19395 12361 1 20 . 1 1 34 34 ILE H H 34 8.535 8.535 8.767 -0.232 19395 12362 1 20 . 1 1 35 35 GLU N N 35 119.202 119.202 118.768 0.434 19395 12363 1 20 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.905 0.022 19395 12364 1 20 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.625 0.121 19395 12365 1 20 . 1 1 35 35 GLU CB C 35 29.375 29.375 29.024 0.351 19395 12366 1 20 . 1 1 35 35 GLU H H 35 7.512 7.512 7.724 -0.212 19395 12367 1 20 . 1 1 36 36 ASP N N 36 121.117 121.117 120.836 0.281 19395 12368 1 20 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.496 0.058 19395 12369 1 20 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.120 0.818 19395 12370 1 20 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.771 -0.652 19395 12371 1 20 . 1 1 36 36 ASP H H 36 8.049 8.049 7.941 0.108 19395 12372 1 20 . 1 1 37 37 LEU N N 37 119.257 119.257 116.511 2.746 19395 12373 1 20 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.208 -0.455 19395 12374 1 20 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.563 0.940 19395 12375 1 20 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.146 -1.186 19395 12376 1 20 . 1 1 37 37 LEU H H 37 8.016 8.016 7.528 0.488 19395 12377 1 20 . 1 1 38 38 LYS N N 38 117.743 117.743 119.596 -1.853 19395 12378 1 20 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.162 -0.064 19395 12379 1 20 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.094 0.210 19395 12380 1 20 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.876 -0.608 19395 12381 1 20 . 1 1 38 38 LYS H H 38 8.336 8.336 8.033 0.303 19395 12382 1 20 . 1 1 39 39 LYS N N 39 122.164 122.164 118.148 4.016 19395 12383 1 20 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.079 0.077 19395 12384 1 20 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.820 0.613 19395 12385 1 20 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.058 0.353 19395 12386 1 20 . 1 1 39 39 LYS H H 39 8.113 8.113 8.119 -0.006 19395 12387 1 20 . 1 1 40 40 TYR N N 40 114.347 114.347 118.883 -4.536 19395 12388 1 20 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.312 0.083 19395 12389 1 20 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.548 0.102 19395 12390 1 20 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.398 1.298 19395 12391 1 20 . 1 1 40 40 TYR H H 40 7.626 7.626 7.909 -0.283 19395 12392 1 20 . 1 1 41 41 GLY N N 41 109.921 109.921 105.028 4.893 19395 12393 1 20 . 1 1 41 41 GLY CA C 41 46.766 46.766 45.022 1.744 19395 12394 1 20 . 1 1 41 41 GLY H H 41 7.878 7.878 7.383 0.495 19395 12395 1 20 . 1 1 42 42 ALA N N 42 123.757 123.757 122.622 1.135 19395 12396 1 20 . 1 1 42 42 ALA HA H 42 5.158 5.158 4.926 0.232 19395 12397 1 20 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.809 0.329 19395 12398 1 20 . 1 1 42 42 ALA CB C 42 19.909 19.909 20.763 -0.854 19395 12399 1 20 . 1 1 42 42 ALA H H 42 8.544 8.544 8.087 0.457 19395 12400 1 20 . 1 1 43 43 THR N N 43 109.574 109.574 114.588 -5.014 19395 12401 1 20 . 1 1 43 43 THR HA H 43 4.479 4.479 4.483 -0.004 19395 12402 1 20 . 1 1 43 43 THR CA C 43 61.144 61.144 60.964 0.180 19395 12403 1 20 . 1 1 43 43 THR CB C 43 69.180 69.180 68.173 1.007 19395 12404 1 20 . 1 1 43 43 THR H H 43 7.969 7.969 8.896 -0.927 19395 12405 1 20 . 1 1 44 44 THR N N 44 118.101 118.101 116.806 1.295 19395 12406 1 20 . 1 1 44 44 THR HA H 44 5.226 5.226 5.096 0.130 19395 12407 1 20 . 1 1 44 44 THR CA C 44 62.061 62.061 61.327 0.734 19395 12408 1 20 . 1 1 44 44 THR CB C 44 72.595 72.595 72.654 -0.059 19395 12409 1 20 . 1 1 44 44 THR H H 44 7.458 7.458 7.363 0.095 19395 12410 1 20 . 1 1 45 45 VAL N N 45 127.571 127.571 123.133 4.438 19395 12411 1 20 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.451 0.251 19395 12412 1 20 . 1 1 45 45 VAL CA C 45 60.504 60.504 59.997 0.507 19395 12413 1 20 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.899 2.283 19395 12414 1 20 . 1 1 45 45 VAL H H 45 9.398 9.398 9.069 0.329 19395 12415 1 20 . 1 1 46 46 VAL N N 46 129.011 129.011 121.442 7.569 19395 12416 1 20 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.148 0.182 19395 12417 1 20 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.488 -0.971 19395 12418 1 20 . 1 1 46 46 VAL CB C 46 32.232 32.232 30.226 2.006 19395 12419 1 20 . 1 1 46 46 VAL H H 46 9.342 9.342 8.782 0.560 19395 12420 1 20 . 1 1 47 47 ARG N N 47 129.852 129.852 118.921 10.931 19395 12421 1 20 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.042 0.253 19395 12422 1 20 . 1 1 47 47 ARG CA C 47 56.019 56.019 57.477 -1.458 19395 12423 1 20 . 1 1 47 47 ARG CB C 47 30.817 30.817 30.109 0.708 19395 12424 1 20 . 1 1 47 47 ARG H H 47 9.037 9.037 7.715 1.322 19395 12425 1 20 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.883 -0.949 19395 12426 1 20 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.634 -1.946 19395 12427 1 20 . 1 1 49 49 CYS CB C 49 41.121 41.121 29.094 12.027 19395 12428 1 20 . 1 1 50 50 GLU N N 50 114.931 114.931 122.849 -7.918 19395 12429 1 20 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.341 -0.255 19395 12430 1 20 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.233 0.067 19395 12431 1 20 . 1 1 50 50 GLU CB C 50 29.445 29.445 28.214 1.231 19395 12432 1 20 . 1 1 50 50 GLU H H 50 8.669 8.669 8.540 0.129 19395 12433 1 20 . 1 1 51 51 VAL N N 51 122.453 122.453 118.774 3.679 19395 12434 1 20 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.213 -0.792 19395 12435 1 20 . 1 1 51 51 VAL CA C 51 64.120 64.120 62.111 2.009 19395 12436 1 20 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.293 -0.263 19395 12437 1 20 . 1 1 51 51 VAL H H 51 8.356 8.356 8.077 0.279 19395 12438 1 20 . 1 1 52 52 THR N N 52 118.382 118.382 114.220 4.162 19395 12439 1 20 . 1 1 52 52 THR HA H 52 4.525 4.525 4.522 0.003 19395 12440 1 20 . 1 1 52 52 THR CA C 52 61.197 61.197 61.466 -0.269 19395 12441 1 20 . 1 1 52 52 THR CB C 52 69.429 69.429 69.135 0.294 19395 12442 1 20 . 1 1 52 52 THR H H 52 8.936 8.936 8.048 0.888 19395 12443 1 20 . 1 1 53 53 TYR N N 53 116.747 116.747 121.935 -5.188 19395 12444 1 20 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.782 -0.020 19395 12445 1 20 . 1 1 53 53 TYR CA C 53 55.653 55.653 57.553 -1.900 19395 12446 1 20 . 1 1 53 53 TYR CB C 53 39.833 39.833 40.360 -0.527 19395 12447 1 20 . 1 1 53 53 TYR H H 53 7.040 7.040 7.753 -0.713 19395 12448 1 20 . 1 1 54 54 ASP N N 54 123.720 123.720 127.904 -4.184 19395 12449 1 20 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.345 0.163 19395 12450 1 20 . 1 1 54 54 ASP CA C 54 53.571 53.571 54.472 -0.901 19395 12451 1 20 . 1 1 54 54 ASP CB C 54 41.364 41.364 41.653 -0.289 19395 12452 1 20 . 1 1 54 54 ASP H H 54 9.280 9.280 8.315 0.965 19395 12453 1 20 . 1 1 55 55 LYS N N 55 121.455 121.455 123.531 -2.076 19395 12454 1 20 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.148 0.371 19395 12455 1 20 . 1 1 55 55 LYS CA C 55 56.944 56.944 55.831 1.113 19395 12456 1 20 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.653 1.287 19395 12457 1 20 . 1 1 55 55 LYS H H 55 8.497 8.497 8.284 0.213 19395 12458 1 20 . 1 1 56 56 THR N N 56 120.743 120.743 118.017 2.726 19395 12459 1 20 . 1 1 56 56 THR HA H 56 4.120 4.120 4.626 -0.506 19395 12460 1 20 . 1 1 56 56 THR CA C 56 68.652 68.652 64.076 4.576 19395 12461 1 20 . 1 1 56 56 THR CB C 56 66.508 66.508 68.911 -2.403 19395 12462 1 20 . 1 1 56 56 THR H H 56 8.701 8.701 7.977 0.724 19395 12463 1 20 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.458 -0.167 19395 12464 1 20 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.550 0.283 19395 12465 1 20 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.270 0.120 19395 12466 1 20 . 1 1 58 58 LEU N N 58 116.313 116.313 117.929 -1.616 19395 12467 1 20 . 1 1 58 58 LEU HA H 58 4.054 4.054 3.987 0.067 19395 12468 1 20 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.626 1.516 19395 12469 1 20 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.080 0.274 19395 12470 1 20 . 1 1 58 58 LEU H H 58 7.170 7.170 8.510 -1.340 19395 12471 1 20 . 1 1 59 59 GLU N N 59 120.470 120.470 119.291 1.179 19395 12472 1 20 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.067 0.324 19395 12473 1 20 . 1 1 59 59 GLU CA C 59 59.104 59.104 59.265 -0.161 19395 12474 1 20 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.474 -0.148 19395 12475 1 20 . 1 1 59 59 GLU H H 59 7.794 7.794 8.559 -0.765 19395 12476 1 20 . 1 1 60 60 LYS N N 60 119.911 119.911 118.878 1.033 19395 12477 1 20 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.237 -0.129 19395 12478 1 20 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.387 1.168 19395 12479 1 20 . 1 1 60 60 LYS CB C 60 32.063 32.063 31.987 0.076 19395 12480 1 20 . 1 1 60 60 LYS H H 60 8.246 8.246 7.812 0.434 19395 12481 1 20 . 1 1 61 61 ASP N N 61 119.142 119.142 117.960 1.182 19395 12482 1 20 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.648 0.322 19395 12483 1 20 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.545 -0.766 19395 12484 1 20 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.973 0.914 19395 12485 1 20 . 1 1 61 61 ASP H H 61 7.235 7.235 7.676 -0.441 19395 12486 1 20 . 1 1 62 62 GLY N N 62 105.820 105.820 107.203 -1.383 19395 12487 1 20 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.410 0.632 19395 12488 1 20 . 1 1 62 62 GLY H H 62 7.742 7.742 7.534 0.208 19395 12489 1 20 . 1 1 63 63 ILE N N 63 123.074 123.074 120.498 2.576 19395 12490 1 20 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.128 0.210 19395 12491 1 20 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.515 -0.985 19395 12492 1 20 . 1 1 63 63 ILE CB C 63 38.518 38.518 38.702 -0.184 19395 12493 1 20 . 1 1 63 63 ILE H H 63 7.870 7.870 7.636 0.234 19395 12494 1 20 . 1 1 64 64 THR N N 64 123.510 123.510 123.575 -0.065 19395 12495 1 20 . 1 1 64 64 THR HA H 64 4.316 4.316 4.250 0.066 19395 12496 1 20 . 1 1 64 64 THR CA C 64 63.015 63.015 63.247 -0.232 19395 12497 1 20 . 1 1 64 64 THR CB C 64 70.376 70.376 68.892 1.484 19395 12498 1 20 . 1 1 64 64 THR H H 64 8.200 8.200 8.847 -0.647 19395 12499 1 20 . 1 1 65 65 VAL N N 65 128.299 128.299 127.244 1.055 19395 12500 1 20 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.038 1.010 19395 12501 1 20 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.266 -1.219 19395 12502 1 20 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.450 0.667 19395 12503 1 20 . 1 1 65 65 VAL H H 65 8.919 8.919 8.542 0.377 19395 12504 1 20 . 1 1 66 66 VAL N N 66 129.962 129.962 129.775 0.187 19395 12505 1 20 . 1 1 66 66 VAL HA H 66 3.927 3.927 4.039 -0.112 19395 12506 1 20 . 1 1 66 66 VAL CA C 66 60.683 60.683 60.154 0.529 19395 12507 1 20 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.333 2.287 19395 12508 1 20 . 1 1 66 66 VAL H H 66 9.145 9.145 8.129 1.016 19395 12509 1 20 . 1 1 67 67 ASP N N 67 126.437 126.437 124.743 1.694 19395 12510 1 20 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.786 0.533 19395 12511 1 20 . 1 1 67 67 ASP CA C 67 54.170 54.170 52.319 1.851 19395 12512 1 20 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.421 1.650 19395 12513 1 20 . 1 1 67 67 ASP H H 67 8.099 8.099 7.807 0.292 19395 12514 1 20 . 1 1 68 68 TRP N N 68 125.863 125.863 122.480 3.383 19395 12515 1 20 . 1 1 68 68 TRP HA H 68 5.540 5.540 5.043 0.497 19395 12516 1 20 . 1 1 68 68 TRP CA C 68 51.631 51.631 53.021 -1.390 19395 12517 1 20 . 1 1 68 68 TRP CB C 68 30.303 30.303 30.757 -0.454 19395 12518 1 20 . 1 1 68 68 TRP H H 68 8.305 8.305 7.977 0.328 19395 12519 1 20 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.570 -0.585 19395 12520 1 20 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.024 -0.081 19395 12521 1 20 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.899 0.645 19395 12522 1 20 . 1 1 70 70 PHE N N 70 113.153 113.153 119.421 -6.268 19395 12523 1 20 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.269 0.491 19395 12524 1 20 . 1 1 70 70 PHE CA C 70 56.067 56.067 60.926 -4.859 19395 12525 1 20 . 1 1 70 70 PHE CB C 70 39.334 39.334 39.543 -0.209 19395 12526 1 20 . 1 1 70 70 PHE H H 70 7.237 7.237 7.627 -0.390 19395 12527 1 20 . 1 1 71 71 ASP N N 71 120.632 120.632 119.943 0.689 19395 12528 1 20 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.581 -0.299 19395 12529 1 20 . 1 1 71 71 ASP CA C 71 55.907 55.907 55.560 0.347 19395 12530 1 20 . 1 1 71 71 ASP CB C 71 41.099 41.099 39.724 1.375 19395 12531 1 20 . 1 1 71 71 ASP H H 71 8.514 8.514 7.900 0.614 19395 12532 1 20 . 1 1 73 73 GLY H H 73 8.510 8.510 8.428 0.082 19395 12533 1 20 . 1 1 74 74 ALA N N 74 123.138 123.138 123.254 -0.116 19395 12534 1 20 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.648 0.192 19395 12535 1 20 . 1 1 74 74 ALA CA C 74 50.106 50.106 49.501 0.605 19395 12536 1 20 . 1 1 74 74 ALA CB C 74 20.264 20.264 19.399 0.865 19395 12537 1 20 . 1 1 74 74 ALA H H 74 7.833 7.833 7.742 0.091 19395 12538 1 20 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.112 0.344 19395 12539 1 20 . 1 1 79 79 LYS N N 79 119.944 119.944 119.315 0.629 19395 12540 1 20 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.351 -0.411 19395 12541 1 20 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.569 1.255 19395 12542 1 20 . 1 1 79 79 LYS CB C 79 32.310 32.310 32.784 -0.474 19395 12543 1 20 . 1 1 79 79 LYS H H 79 8.425 8.425 8.258 0.167 19395 12544 1 20 . 1 1 80 80 VAL N N 80 116.231 116.231 118.226 -1.995 19395 12545 1 20 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.415 -0.020 19395 12546 1 20 . 1 1 80 80 VAL CA C 80 64.913 64.913 65.538 -0.625 19395 12547 1 20 . 1 1 80 80 VAL CB C 80 31.293 31.293 30.829 0.464 19395 12548 1 20 . 1 1 80 80 VAL H H 80 6.338 6.338 8.230 -1.892 19395 12549 1 20 . 1 1 81 81 VAL N N 81 118.082 118.082 114.503 3.579 19395 12550 1 20 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.594 -0.409 19395 12551 1 20 . 1 1 81 81 VAL CA C 81 68.624 68.624 65.908 2.716 19395 12552 1 20 . 1 1 81 81 VAL CB C 81 31.645 31.645 31.105 0.540 19395 12553 1 20 . 1 1 81 81 VAL H H 81 7.362 7.362 7.637 -0.275 19395 12554 1 20 . 1 1 82 82 GLU N N 82 117.196 117.196 119.800 -2.604 19395 12555 1 20 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.907 0.029 19395 12556 1 20 . 1 1 82 82 GLU CA C 82 59.494 59.494 60.193 -0.699 19395 12557 1 20 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.041 0.410 19395 12558 1 20 . 1 1 82 82 GLU H H 82 7.878 7.878 7.818 0.060 19395 12559 1 20 . 1 1 83 83 ASP N N 83 121.828 121.828 119.963 1.865 19395 12560 1 20 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.542 -0.303 19395 12561 1 20 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.756 0.523 19395 12562 1 20 . 1 1 83 83 ASP CB C 83 38.149 38.149 40.447 -2.298 19395 12563 1 20 . 1 1 83 83 ASP H H 83 8.156 8.156 7.680 0.476 19395 12564 1 20 . 1 1 84 84 TRP N N 84 124.374 124.374 121.993 2.381 19395 12565 1 20 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.261 0.663 19395 12566 1 20 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.486 -0.464 19395 12567 1 20 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.610 0.200 19395 12568 1 20 . 1 1 84 84 TRP H H 84 8.939 8.939 7.714 1.225 19395 12569 1 20 . 1 1 85 85 LEU N N 85 117.918 117.918 117.853 0.065 19395 12570 1 20 . 1 1 85 85 LEU HA H 85 3.760 3.760 3.960 -0.200 19395 12571 1 20 . 1 1 85 85 LEU CA C 85 57.998 57.998 58.983 -0.985 19395 12572 1 20 . 1 1 85 85 LEU CB C 85 41.329 41.329 41.654 -0.325 19395 12573 1 20 . 1 1 85 85 LEU H H 85 8.723 8.723 8.200 0.523 19395 12574 1 20 . 1 1 86 86 SER N N 86 114.182 114.182 114.254 -0.072 19395 12575 1 20 . 1 1 86 86 SER HA H 86 4.187 4.187 4.153 0.034 19395 12576 1 20 . 1 1 86 86 SER CA C 86 61.997 61.997 61.575 0.422 19395 12577 1 20 . 1 1 86 86 SER CB C 86 62.984 62.984 63.309 -0.325 19395 12578 1 20 . 1 1 86 86 SER H H 86 8.067 8.067 7.937 0.130 19395 12579 1 20 . 1 1 87 87 LEU N N 87 125.441 125.441 122.733 2.708 19395 12580 1 20 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.098 0.112 19395 12581 1 20 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.245 0.692 19395 12582 1 20 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.702 0.877 19395 12583 1 20 . 1 1 87 87 LEU H H 87 8.300 8.300 7.981 0.319 19395 12584 1 20 . 1 1 88 88 VAL N N 88 116.784 116.784 118.879 -2.095 19395 12585 1 20 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.689 -0.623 19395 12586 1 20 . 1 1 88 88 VAL CA C 88 66.385 66.385 66.853 -0.468 19395 12587 1 20 . 1 1 88 88 VAL CB C 88 30.764 30.764 30.704 0.060 19395 12588 1 20 . 1 1 88 88 VAL H H 88 8.468 8.468 8.054 0.414 19395 12589 1 20 . 1 1 89 89 LYS N N 89 118.569 118.569 119.104 -0.535 19395 12590 1 20 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.390 -0.365 19395 12591 1 20 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.985 0.491 19395 12592 1 20 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.272 0.584 19395 12593 1 20 . 1 1 89 89 LYS H H 89 7.652 7.652 8.229 -0.577 19395 12594 1 20 . 1 1 90 90 ALA N N 90 119.043 119.043 121.563 -2.520 19395 12595 1 20 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.310 -0.159 19395 12596 1 20 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.809 1.236 19395 12597 1 20 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.650 -1.196 19395 12598 1 20 . 1 1 90 90 ALA H H 90 7.616 7.616 8.057 -0.442 19395 12599 1 20 . 1 1 91 91 LYS N N 91 117.654 117.654 120.207 -2.553 19395 12600 1 20 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.971 -0.034 19395 12601 1 20 . 1 1 91 91 LYS CA C 91 57.754 57.754 58.980 -1.226 19395 12602 1 20 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.885 -1.722 19395 12603 1 20 . 1 1 91 91 LYS H H 91 8.658 8.658 8.643 0.015 19395 12604 1 20 . 1 1 92 92 PHE N N 92 113.471 113.471 118.899 -5.428 19395 12605 1 20 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.577 0.042 19395 12606 1 20 . 1 1 92 92 PHE CA C 92 58.595 58.595 58.909 -0.314 19395 12607 1 20 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.939 -2.255 19395 12608 1 20 . 1 1 92 92 PHE H H 92 7.472 7.472 8.298 -0.826 19395 12609 1 20 . 1 1 93 93 CYS N N 93 117.138 117.138 118.359 -1.221 19395 12610 1 20 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.619 0.744 19395 12611 1 20 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.742 2.223 19395 12612 1 20 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.120 0.358 19395 12613 1 20 . 1 1 93 93 CYS H H 93 7.562 7.562 7.567 -0.005 19395 12614 1 20 . 1 1 94 94 GLU N N 94 118.594 118.594 119.631 -1.037 19395 12615 1 20 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.309 -0.182 19395 12616 1 20 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.607 1.434 19395 12617 1 20 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.158 -0.085 19395 12618 1 20 . 1 1 94 94 GLU H H 94 8.236 8.236 8.365 -0.129 19395 12619 1 20 . 1 1 95 95 ALA N N 95 121.081 121.081 123.326 -2.245 19395 12620 1 20 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.764 0.113 19395 12621 1 20 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.065 0.304 19395 12622 1 20 . 1 1 95 95 ALA CB C 95 18.124 18.124 19.669 -1.545 19395 12623 1 20 . 1 1 95 95 ALA H H 95 7.898 7.898 7.453 0.445 19395 12624 1 20 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.387 0.436 19395 12625 1 20 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.388 0.579 19395 12626 1 20 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.485 1.071 19395 12627 1 20 . 1 1 97 97 GLY N N 97 113.478 113.478 113.084 0.394 19395 12628 1 20 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.571 0.128 19395 12629 1 20 . 1 1 97 97 GLY H H 97 9.198 9.198 8.261 0.937 19395 12630 1 20 . 1 1 98 98 SER N N 98 115.643 115.643 115.093 0.550 19395 12631 1 20 . 1 1 98 98 SER HA H 98 4.560 4.560 4.241 0.319 19395 12632 1 20 . 1 1 98 98 SER CA C 98 58.923 58.923 59.238 -0.315 19395 12633 1 20 . 1 1 98 98 SER CB C 98 64.427 64.427 64.809 -0.382 19395 12634 1 20 . 1 1 98 98 SER H H 98 8.066 8.066 7.340 0.726 19395 12635 1 20 . 1 1 99 99 CYS N N 99 115.484 115.484 116.460 -0.976 19395 12636 1 20 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.347 0.050 19395 12637 1 20 . 1 1 99 99 CYS CA C 99 55.787 55.787 56.909 -1.122 19395 12638 1 20 . 1 1 99 99 CYS CB C 99 29.985 29.985 32.308 -2.323 19395 12639 1 20 . 1 1 99 99 CYS H H 99 7.532 7.532 7.961 -0.429 19395 12640 1 20 . 1 1 100 100 VAL N N 100 128.065 128.065 118.234 9.831 19395 12641 1 20 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.331 -0.023 19395 12642 1 20 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.165 2.466 19395 12643 1 20 . 1 1 100 100 VAL CB C 100 34.384 34.384 33.988 0.396 19395 12644 1 20 . 1 1 100 100 VAL H H 100 8.392 8.392 8.214 0.178 19395 12645 1 20 . 1 1 101 101 ALA N N 101 130.346 130.346 130.690 -0.344 19395 12646 1 20 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.716 1.044 19395 12647 1 20 . 1 1 101 101 ALA CA C 101 50.101 50.101 50.798 -0.697 19395 12648 1 20 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.227 1.891 19395 12649 1 20 . 1 1 101 101 ALA H H 101 8.882 8.882 7.910 0.972 19395 12650 1 20 . 1 1 102 102 VAL N N 102 120.866 120.866 117.802 3.064 19395 12651 1 20 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.518 1.105 19395 12652 1 20 . 1 1 102 102 VAL CA C 102 58.795 58.795 60.737 -1.942 19395 12653 1 20 . 1 1 102 102 VAL CB C 102 35.140 35.140 35.738 -0.598 19395 12654 1 20 . 1 1 102 102 VAL H H 102 9.359 9.359 8.732 0.627 19395 12655 1 20 . 1 1 103 103 HIS N N 103 120.019 120.019 122.694 -2.675 19395 12656 1 20 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.978 -0.195 19395 12657 1 20 . 1 1 103 103 HIS CA C 103 55.292 55.292 55.012 0.280 19395 12658 1 20 . 1 1 103 103 HIS CB C 103 33.032 33.032 33.042 -0.010 19395 12659 1 20 . 1 1 103 103 HIS H H 103 8.749 8.749 8.314 0.435 19395 12660 1 20 . 1 1 104 104 CYS N N 104 118.175 118.175 117.046 1.129 19395 12661 1 20 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.897 -0.200 19395 12662 1 20 . 1 1 104 104 CYS CA C 104 56.265 56.265 56.292 -0.027 19395 12663 1 20 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.890 2.289 19395 12664 1 20 . 1 1 104 104 CYS H H 104 8.428 8.428 8.625 -0.197 19395 12665 1 20 . 1 1 105 105 VAL N N 105 125.962 125.962 118.353 7.609 19395 12666 1 20 . 1 1 105 105 VAL HA H 105 4.219 4.219 3.989 0.230 19395 12667 1 20 . 1 1 105 105 VAL CA C 105 66.483 66.483 64.504 1.979 19395 12668 1 20 . 1 1 105 105 VAL CB C 105 32.383 32.383 31.979 0.404 19395 12669 1 20 . 1 1 105 105 VAL H H 105 8.422 8.422 8.116 0.306 19395 12670 1 20 . 1 1 106 106 ALA N N 106 123.180 123.180 121.147 2.033 19395 12671 1 20 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.245 0.450 19395 12672 1 20 . 1 1 106 106 ALA CA C 106 52.862 52.862 53.391 -0.528 19395 12673 1 20 . 1 1 106 106 ALA CB C 106 20.123 20.123 18.896 1.227 19395 12674 1 20 . 1 1 106 106 ALA H H 106 9.997 9.997 8.110 1.887 19395 12675 1 20 . 1 1 107 107 GLY N N 107 109.076 109.076 106.208 2.868 19395 12676 1 20 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.761 1.858 19395 12677 1 20 . 1 1 107 107 GLY H H 107 8.019 8.019 7.979 0.040 19395 12678 1 20 . 1 1 108 108 LEU N N 108 117.413 117.413 122.545 -5.132 19395 12679 1 20 . 1 1 108 108 LEU HA H 108 4.464 4.464 4.012 0.452 19395 12680 1 20 . 1 1 108 108 LEU CA C 108 55.782 55.782 56.419 -0.636 19395 12681 1 20 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.490 4.330 19395 12682 1 20 . 1 1 108 108 LEU H H 108 7.598 7.598 7.940 -0.342 19395 12683 1 20 . 1 1 109 109 GLY N N 109 111.143 111.143 106.408 4.735 19395 12684 1 20 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.775 -0.134 19395 12685 1 20 . 1 1 109 109 GLY H H 109 10.576 10.576 8.551 2.025 19395 12686 1 20 . 1 1 110 110 ARG N N 110 127.464 127.464 123.102 4.362 19395 12687 1 20 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.881 -0.326 19395 12688 1 20 . 1 1 110 110 ARG CA C 110 60.426 60.426 58.924 1.502 19395 12689 1 20 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.432 2.751 19395 12690 1 20 . 1 1 110 110 ARG H H 110 10.234 10.234 8.568 1.666 19395 12691 1 20 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.259 -0.375 19395 12692 1 20 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.459 1.073 19395 12693 1 20 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.555 -0.646 19395 12694 1 20 . 1 1 113 113 VAL N N 113 116.720 116.720 119.979 -3.259 19395 12695 1 20 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.652 -0.092 19395 12696 1 20 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.894 -0.164 19395 12697 1 20 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.361 -0.838 19395 12698 1 20 . 1 1 113 113 VAL H H 113 8.340 8.340 8.539 -0.199 19395 12699 1 20 . 1 1 114 114 LEU N N 114 119.045 119.045 119.200 -0.155 19395 12700 1 20 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.131 -0.473 19395 12701 1 20 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.312 -0.282 19395 12702 1 20 . 1 1 114 114 LEU CB C 114 38.799 38.799 40.855 -2.056 19395 12703 1 20 . 1 1 114 114 LEU H H 114 6.990 6.990 8.339 -1.349 19395 12704 1 20 . 1 1 115 115 VAL N N 115 120.270 120.270 116.244 4.026 19395 12705 1 20 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.416 -0.373 19395 12706 1 20 . 1 1 115 115 VAL CA C 115 67.509 67.509 66.189 1.320 19395 12707 1 20 . 1 1 115 115 VAL CB C 115 30.787 30.787 30.784 0.003 19395 12708 1 20 . 1 1 115 115 VAL H H 115 7.188 7.188 7.833 -0.645 19395 12709 1 20 . 1 1 116 116 ALA N N 116 121.280 121.280 123.811 -2.531 19395 12710 1 20 . 1 1 116 116 ALA HA H 116 3.761 3.761 3.997 -0.236 19395 12711 1 20 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.255 0.602 19395 12712 1 20 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.343 -0.475 19395 12713 1 20 . 1 1 116 116 ALA H H 116 8.649 8.649 8.255 0.394 19395 12714 1 20 . 1 1 117 117 LEU N N 117 116.557 116.557 120.085 -3.528 19395 12715 1 20 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.874 -0.106 19395 12716 1 20 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.837 0.523 19395 12717 1 20 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.782 2.284 19395 12718 1 20 . 1 1 117 117 LEU H H 117 8.048 8.048 7.543 0.505 19395 12719 1 20 . 1 1 118 118 ALA N N 118 119.916 119.916 120.079 -0.163 19395 12720 1 20 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.598 0.471 19395 12721 1 20 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.356 1.008 19395 12722 1 20 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.486 1.141 19395 12723 1 20 . 1 1 118 118 ALA H H 118 7.691 7.691 6.660 1.031 19395 12724 1 20 . 1 1 119 119 LEU N N 119 116.962 116.962 120.278 -3.316 19395 12725 1 20 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.075 -0.200 19395 12726 1 20 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.706 0.719 19395 12727 1 20 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.546 -1.761 19395 12728 1 20 . 1 1 119 119 LEU H H 119 7.988 7.988 7.650 0.338 19395 12729 1 20 . 1 1 120 120 ILE N N 120 123.209 123.209 119.011 4.198 19395 12730 1 20 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.895 0.854 19395 12731 1 20 . 1 1 120 120 ILE CA C 120 64.104 64.104 64.457 -0.353 19395 12732 1 20 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.672 1.570 19395 12733 1 20 . 1 1 120 120 ILE H H 120 8.643 8.643 8.317 0.326 19395 12734 1 20 . 1 1 121 121 GLU N N 121 121.219 121.219 118.266 2.953 19395 12735 1 20 . 1 1 121 121 GLU HA H 121 4.508 4.508 4.044 0.464 19395 12736 1 20 . 1 1 121 121 GLU CA C 121 59.139 59.139 58.912 0.227 19395 12737 1 20 . 1 1 121 121 GLU CB C 121 29.233 29.233 29.103 0.130 19395 12738 1 20 . 1 1 121 121 GLU H H 121 8.680 8.680 7.722 0.958 19395 12739 1 20 . 1 1 122 122 SER N N 122 114.306 114.306 112.850 1.456 19395 12740 1 20 . 1 1 122 122 SER HA H 122 4.783 4.783 4.358 0.425 19395 12741 1 20 . 1 1 122 122 SER CA C 122 58.581 58.581 60.458 -1.877 19395 12742 1 20 . 1 1 122 122 SER CB C 122 64.656 64.656 63.663 0.993 19395 12743 1 20 . 1 1 122 122 SER H H 122 7.834 7.834 8.010 -0.176 19395 12744 1 20 . 1 1 123 123 GLY N N 123 108.666 108.666 108.857 -0.191 19395 12745 1 20 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.431 0.649 19395 12746 1 20 . 1 1 123 123 GLY H H 123 7.902 7.902 7.617 0.285 19395 12747 1 20 . 1 1 124 124 MET N N 124 123.358 123.358 120.104 3.254 19395 12748 1 20 . 1 1 124 124 MET HA H 124 4.258 4.258 4.616 -0.358 19395 12749 1 20 . 1 1 124 124 MET CA C 124 56.698 56.698 53.419 3.279 19395 12750 1 20 . 1 1 124 124 MET CB C 124 34.104 34.104 35.992 -1.888 19395 12751 1 20 . 1 1 124 124 MET H H 124 7.970 7.970 7.438 0.532 19395 12752 1 20 . 1 1 125 125 LYS N N 125 125.848 125.848 123.780 2.068 19395 12753 1 20 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.336 -0.042 19395 12754 1 20 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.342 0.567 19395 12755 1 20 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.544 0.193 19395 12756 1 20 . 1 1 125 125 LYS H H 125 8.903 8.903 8.441 0.462 19395 12757 1 20 . 1 1 126 126 TYR N N 126 124.016 124.016 127.040 -3.024 19395 12758 1 20 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.968 0.092 19395 12759 1 20 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.311 -0.577 19395 12760 1 20 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.857 0.085 19395 12761 1 20 . 1 1 126 126 TYR H H 126 9.242 9.242 9.027 0.215 19395 12762 1 20 . 1 1 127 127 GLU N N 127 119.702 119.702 118.054 1.648 19395 12763 1 20 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.229 0.164 19395 12764 1 20 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.685 0.530 19395 12765 1 20 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.724 0.261 19395 12766 1 20 . 1 1 127 127 GLU H H 127 9.102 9.102 8.598 0.504 19395 12767 1 20 . 1 1 128 128 ASP N N 128 118.661 118.661 119.311 -0.650 19395 12768 1 20 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.282 0.129 19395 12769 1 20 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.652 -1.078 19395 12770 1 20 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.524 -0.418 19395 12771 1 20 . 1 1 128 128 ASP H H 128 6.782 6.782 8.182 -1.400 19395 12772 1 20 . 1 1 129 129 ALA N N 129 125.068 125.068 122.118 2.950 19395 12773 1 20 . 1 1 129 129 ALA HA H 129 4.227 4.227 3.980 0.247 19395 12774 1 20 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.292 0.120 19395 12775 1 20 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.416 -0.104 19395 12776 1 20 . 1 1 129 129 ALA H H 129 8.365 8.365 8.272 0.093 19395 12777 1 20 . 1 1 130 130 ILE N N 130 115.533 115.533 119.259 -3.726 19395 12778 1 20 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.597 -0.106 19395 12779 1 20 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.645 1.471 19395 12780 1 20 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.480 0.306 19395 12781 1 20 . 1 1 130 130 ILE H H 130 8.044 8.044 8.184 -0.140 19395 12782 1 20 . 1 1 131 131 GLN N N 131 118.503 118.503 118.306 0.197 19395 12783 1 20 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.938 0.078 19395 12784 1 20 . 1 1 131 131 GLN CA C 131 58.791 58.791 59.143 -0.352 19395 12785 1 20 . 1 1 131 131 GLN CB C 131 28.439 28.439 28.437 0.002 19395 12786 1 20 . 1 1 131 131 GLN H H 131 7.426 7.426 8.053 -0.627 19395 12787 1 20 . 1 1 132 132 PHE N N 132 120.679 120.679 121.103 -0.424 19395 12788 1 20 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.215 0.108 19395 12789 1 20 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.433 -0.258 19395 12790 1 20 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.142 0.708 19395 12791 1 20 . 1 1 132 132 PHE H H 132 8.416 8.416 7.799 0.617 19395 12792 1 20 . 1 1 133 133 ILE N N 133 116.466 116.466 114.879 1.587 19395 12793 1 20 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.586 -0.097 19395 12794 1 20 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.023 -0.026 19395 12795 1 20 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.707 -0.146 19395 12796 1 20 . 1 1 133 133 ILE H H 133 7.964 7.964 8.052 -0.088 19395 12797 1 20 . 1 1 134 134 ARG N N 134 119.204 119.204 119.546 -0.342 19395 12798 1 20 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.148 0.174 19395 12799 1 20 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.803 0.357 19395 12800 1 20 . 1 1 134 134 ARG CB C 134 30.212 30.212 30.705 -0.493 19395 12801 1 20 . 1 1 134 134 ARG H H 134 8.449 8.449 8.360 0.089 19395 12802 1 20 . 1 1 135 135 GLN N N 135 117.511 117.511 119.121 -1.610 19395 12803 1 20 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.160 -0.123 19395 12804 1 20 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.076 0.261 19395 12805 1 20 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.203 0.236 19395 12806 1 20 . 1 1 135 135 GLN H H 135 7.829 7.829 8.051 -0.222 19395 12807 1 20 . 1 1 136 136 LYS N N 136 116.364 116.364 116.908 -0.544 19395 12808 1 20 . 1 1 136 136 LYS HA H 136 4.294 4.294 3.981 0.313 19395 12809 1 20 . 1 1 136 136 LYS CA C 136 56.209 56.209 57.939 -1.730 19395 12810 1 20 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.379 0.600 19395 12811 1 20 . 1 1 136 136 LYS H H 136 7.280 7.280 7.778 -0.498 19395 12812 1 20 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.654 -0.809 19395 12813 1 20 . 1 1 140 140 ALA N N 140 121.841 121.841 123.303 -1.462 19395 12814 1 20 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.223 0.133 19395 12815 1 20 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.455 -0.128 19395 12816 1 20 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.555 0.019 19395 12817 1 20 . 1 1 140 140 ALA H H 140 7.553 7.553 8.150 -0.597 19395 12818 1 20 . 1 1 141 141 ILE N N 141 113.228 113.228 116.511 -3.283 19395 12819 1 20 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.203 -0.865 19395 12820 1 20 . 1 1 141 141 ILE CA C 141 65.889 65.889 59.248 6.641 19395 12821 1 20 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.389 -4.200 19395 12822 1 20 . 1 1 141 141 ILE H H 141 8.744 8.744 8.103 0.641 19395 12823 1 20 . 1 1 142 142 ASN N N 142 126.808 126.808 117.869 8.939 19395 12824 1 20 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.560 0.163 19395 12825 1 20 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.727 -3.644 19395 12826 1 20 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.938 -1.008 19395 12827 1 20 . 1 1 142 142 ASN H H 142 8.538 8.538 8.107 0.431 19395 12828 1 20 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.960 0.207 19395 12829 1 20 . 1 1 145 145 GLN N N 145 120.931 120.931 118.531 2.400 19395 12830 1 20 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.043 -0.308 19395 12831 1 20 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.430 0.405 19395 12832 1 20 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.688 0.115 19395 12833 1 20 . 1 1 145 145 GLN H H 145 8.737 8.737 8.377 0.360 19395 12834 1 20 . 1 1 146 146 LEU N N 146 122.433 122.433 120.491 1.942 19395 12835 1 20 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.185 -0.210 19395 12836 1 20 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.629 0.384 19395 12837 1 20 . 1 1 146 146 LEU CB C 146 41.796 41.796 42.024 -0.228 19395 12838 1 20 . 1 1 146 146 LEU H H 146 8.917 8.917 8.197 0.720 19395 12839 1 20 . 1 1 147 147 THR N N 147 115.378 115.378 112.701 2.677 19395 12840 1 20 . 1 1 147 147 THR HA H 147 3.936 3.936 3.830 0.106 19395 12841 1 20 . 1 1 147 147 THR CA C 147 66.512 66.512 66.242 0.270 19395 12842 1 20 . 1 1 147 147 THR CB C 147 68.865 68.865 68.728 0.136 19395 12843 1 20 . 1 1 147 147 THR H H 147 7.948 7.948 7.827 0.121 19395 12844 1 20 . 1 1 148 148 TYR N N 148 120.402 120.402 123.110 -2.708 19395 12845 1 20 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.086 -0.004 19395 12846 1 20 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.528 -0.333 19395 12847 1 20 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.243 -0.266 19395 12848 1 20 . 1 1 148 148 TYR H H 148 7.366 7.366 8.440 -1.074 19395 12849 1 20 . 1 1 149 149 LEU N N 149 119.957 119.957 118.890 1.067 19395 12850 1 20 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.371 0.357 19395 12851 1 20 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.522 1.019 19395 12852 1 20 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.506 2.057 19395 12853 1 20 . 1 1 149 149 LEU H H 149 7.968 7.968 7.489 0.479 19395 12854 1 20 . 1 1 150 150 GLU N N 150 120.132 120.132 117.849 2.283 19395 12855 1 20 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.565 -1.182 19395 12856 1 20 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.583 -0.121 19395 12857 1 20 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.656 -0.075 19395 12858 1 20 . 1 1 150 150 GLU H H 150 8.305 8.305 7.292 1.013 19395 12859 1 20 . 1 1 151 151 LYS N N 151 114.600 114.600 115.655 -1.055 19395 12860 1 20 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.133 -0.062 19395 12861 1 20 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.657 -1.025 19395 12862 1 20 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.429 -0.482 19395 12863 1 20 . 1 1 151 151 LYS H H 151 7.106 7.106 7.359 -0.253 19395 12864 1 20 . 1 1 152 152 TYR N N 152 123.664 123.664 121.788 1.876 19395 12865 1 20 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.163 -0.388 19395 12866 1 20 . 1 1 152 152 TYR CA C 152 59.659 59.659 59.189 0.470 19395 12867 1 20 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.667 -0.422 19395 12868 1 20 . 1 1 152 152 TYR H H 152 7.187 7.187 7.594 -0.407 19395 12869 1 20 . 1 1 153 153 ARG N N 153 130.321 130.321 126.705 3.616 19395 12870 1 20 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.603 0.163 19395 12871 1 20 . 1 1 153 153 ARG CA C 153 51.513 51.513 52.116 -0.603 19395 12872 1 20 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.916 -1.736 19395 12873 1 20 . 1 1 153 153 ARG H H 153 7.760 7.760 7.572 0.188 19395 12874 1 20 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.816 -0.176 19395 12875 1 20 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.737 -0.682 19395 12876 1 20 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.244 1.359 19395 12877 1 20 . 1 1 155 155 LYS N N 155 122.066 122.066 122.209 -0.143 19395 12878 1 20 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.137 0.301 19395 12879 1 20 . 1 1 155 155 LYS CA C 155 55.923 55.923 57.169 -1.246 19395 12880 1 20 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.260 1.183 19395 12881 1 20 . 1 1 155 155 LYS H H 155 9.586 9.586 8.631 0.955 19395 12882 1 20 . 1 1 156 156 GLN N N 156 117.702 117.702 113.813 3.889 19395 12883 1 20 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.051 0.315 19395 12884 1 20 . 1 1 156 156 GLN CA C 156 56.549 56.549 57.059 -0.510 19395 12885 1 20 . 1 1 156 156 GLN CB C 156 26.728 26.728 26.130 0.598 19395 12886 1 20 . 1 1 156 156 GLN H H 156 8.334 8.334 8.008 0.326 19395 12887 1 20 . 1 1 157 157 ARG N N 157 117.466 117.466 118.849 -1.383 19395 12888 1 20 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.309 -0.154 19395 12889 1 20 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.937 0.085 19395 12890 1 20 . 1 1 157 157 ARG CB C 157 30.769 30.769 31.643 -0.875 19395 12891 1 20 . 1 1 157 157 ARG H H 157 8.983 8.983 8.205 0.778 19395 12892 1 20 . 1 1 158 158 LEU N N 158 117.973 117.973 121.516 -3.543 19395 12893 1 20 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.482 0.147 19395 12894 1 20 . 1 1 158 158 LEU CA C 158 53.469 53.469 55.457 -1.988 19395 12895 1 20 . 1 1 158 158 LEU CB C 158 41.505 41.505 41.189 0.316 19395 12896 1 20 . 1 1 158 158 LEU H H 158 8.123 8.123 8.119 0.004 19395 12897 1 20 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.128 -0.015 19395 12898 1 20 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.796 1.691 19395 12899 1 20 . 1 1 161 161 LYS CB C 161 33.174 33.174 33.435 -0.261 19395 12900 1 20 . 1 1 161 161 LYS H H 161 7.856 7.856 7.961 -0.105 19395 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 125 3.809 -0.520 3.788 19395 2 1 1 "Average Difference" HA 145 0.469 -0.045 0.468 19395 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19395 4 1 1 "Average Difference" CA 135 1.365 -0.172 1.359 19395 5 1 1 "Average Difference" CB 129 1.727 -0.221 1.720 19395 6 1 1 "Average Difference" HN 127 0.704 -0.099 0.700 19395 7 1 2 "Average Difference" N 125 3.716 -0.562 3.688 19395 8 1 2 "Average Difference" HA 145 0.460 -0.045 0.459 19395 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19395 10 1 2 "Average Difference" CA 135 1.217 -0.211 1.203 19395 11 1 2 "Average Difference" CB 129 1.788 -0.270 1.775 19395 12 1 2 "Average Difference" HN 127 0.719 -0.100 0.715 19395 13 1 3 "Average Difference" N 125 3.530 -0.588 3.495 19395 14 1 3 "Average Difference" HA 145 0.452 -0.057 0.450 19395 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19395 16 1 3 "Average Difference" CA 135 1.355 -0.226 1.341 19395 17 1 3 "Average Difference" CB 129 1.756 -0.271 1.741 19395 18 1 3 "Average Difference" HN 127 0.710 -0.094 0.707 19395 19 1 4 "Average Difference" N 125 3.552 -0.652 3.505 19395 20 1 4 "Average Difference" HA 145 0.457 -0.057 0.455 19395 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19395 22 1 4 "Average Difference" CA 135 1.340 -0.227 1.326 19395 23 1 4 "Average Difference" CB 129 1.721 -0.220 1.713 19395 24 1 4 "Average Difference" HN 127 0.713 -0.100 0.709 19395 25 1 5 "Average Difference" N 125 3.495 -0.471 3.477 19395 26 1 5 "Average Difference" HA 145 0.448 -0.053 0.447 19395 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19395 28 1 5 "Average Difference" CA 135 1.404 -0.173 1.399 19395 29 1 5 "Average Difference" CB 129 1.673 -0.227 1.664 19395 30 1 5 "Average Difference" HN 127 0.711 -0.086 0.708 19395 31 1 6 "Average Difference" N 125 3.498 -0.466 3.481 19395 32 1 6 "Average Difference" HA 145 0.457 -0.057 0.455 19395 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19395 34 1 6 "Average Difference" CA 135 1.302 -0.168 1.296 19395 35 1 6 "Average Difference" CB 129 1.747 -0.276 1.731 19395 36 1 6 "Average Difference" HN 127 0.709 -0.087 0.707 19395 37 1 7 "Average Difference" N 125 3.642 -0.481 3.625 19395 38 1 7 "Average Difference" HA 145 0.471 -0.075 0.466 19395 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19395 40 1 7 "Average Difference" CA 135 1.345 -0.176 1.338 19395 41 1 7 "Average Difference" CB 129 1.697 -0.263 1.683 19395 42 1 7 "Average Difference" HN 127 0.702 -0.103 0.697 19395 43 1 8 "Average Difference" N 125 3.539 -0.557 3.509 19395 44 1 8 "Average Difference" HA 145 0.458 -0.045 0.457 19395 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19395 46 1 8 "Average Difference" CA 135 1.360 -0.220 1.347 19395 47 1 8 "Average Difference" CB 129 1.744 -0.253 1.732 19395 48 1 8 "Average Difference" HN 127 0.695 -0.091 0.692 19395 49 1 9 "Average Difference" N 125 3.473 -0.527 3.447 19395 50 1 9 "Average Difference" HA 145 0.459 -0.062 0.457 19395 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19395 52 1 9 "Average Difference" CA 135 1.260 -0.170 1.253 19395 53 1 9 "Average Difference" CB 129 1.780 -0.240 1.771 19395 54 1 9 "Average Difference" HN 127 0.701 -0.082 0.699 19395 55 1 10 "Average Difference" N 125 3.632 -0.587 3.598 19395 56 1 10 "Average Difference" HA 145 0.439 -0.050 0.438 19395 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19395 58 1 10 "Average Difference" CA 135 1.263 -0.201 1.252 19395 59 1 10 "Average Difference" CB 129 1.755 -0.249 1.744 19395 60 1 10 "Average Difference" HN 127 0.697 -0.100 0.693 19395 61 1 11 "Average Difference" N 125 3.500 -0.569 3.468 19395 62 1 11 "Average Difference" HA 145 0.468 -0.067 0.465 19395 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19395 64 1 11 "Average Difference" CA 135 1.421 -0.215 1.410 19395 65 1 11 "Average Difference" CB 129 1.840 -0.274 1.827 19395 66 1 11 "Average Difference" HN 127 0.689 -0.101 0.685 19395 67 1 12 "Average Difference" N 125 3.375 -0.629 3.330 19395 68 1 12 "Average Difference" HA 145 0.439 -0.047 0.438 19395 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19395 70 1 12 "Average Difference" CA 135 1.230 -0.199 1.219 19395 71 1 12 "Average Difference" CB 129 1.792 -0.264 1.780 19395 72 1 12 "Average Difference" HN 127 0.702 -0.081 0.700 19395 73 1 13 "Average Difference" N 125 3.592 -0.439 3.580 19395 74 1 13 "Average Difference" HA 145 0.467 -0.040 0.467 19395 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19395 76 1 13 "Average Difference" CA 135 1.392 -0.263 1.372 19395 77 1 13 "Average Difference" CB 129 1.708 -0.186 1.704 19395 78 1 13 "Average Difference" HN 127 0.686 -0.075 0.684 19395 79 1 14 "Average Difference" N 125 3.924 -0.746 3.868 19395 80 1 14 "Average Difference" HA 145 0.448 -0.057 0.446 19395 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19395 82 1 14 "Average Difference" CA 135 1.353 -0.170 1.347 19395 83 1 14 "Average Difference" CB 129 1.712 -0.238 1.702 19395 84 1 14 "Average Difference" HN 127 0.710 -0.084 0.707 19395 85 1 15 "Average Difference" N 125 3.607 -0.505 3.586 19395 86 1 15 "Average Difference" HA 145 0.447 -0.052 0.445 19395 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19395 88 1 15 "Average Difference" CA 135 1.393 -0.183 1.386 19395 89 1 15 "Average Difference" CB 129 1.707 -0.224 1.698 19395 90 1 15 "Average Difference" HN 127 0.672 -0.080 0.670 19395 91 1 16 "Average Difference" N 125 3.647 -0.536 3.622 19395 92 1 16 "Average Difference" HA 145 0.461 -0.062 0.459 19395 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19395 94 1 16 "Average Difference" CA 135 1.333 -0.207 1.322 19395 95 1 16 "Average Difference" CB 129 1.728 -0.270 1.714 19395 96 1 16 "Average Difference" HN 127 0.707 -0.075 0.705 19395 97 1 17 "Average Difference" N 125 3.724 -0.587 3.692 19395 98 1 17 "Average Difference" HA 145 0.458 -0.047 0.457 19395 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19395 100 1 17 "Average Difference" CA 135 1.267 -0.222 1.252 19395 101 1 17 "Average Difference" CB 129 1.719 -0.242 1.709 19395 102 1 17 "Average Difference" HN 127 0.714 -0.090 0.711 19395 103 1 18 "Average Difference" N 125 3.478 -0.507 3.455 19395 104 1 18 "Average Difference" HA 145 0.455 -0.057 0.453 19395 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19395 106 1 18 "Average Difference" CA 135 1.381 -0.117 1.381 19395 107 1 18 "Average Difference" CB 129 1.701 -0.238 1.691 19395 108 1 18 "Average Difference" HN 127 0.712 -0.093 0.709 19395 109 1 19 "Average Difference" N 125 3.414 -0.440 3.399 19395 110 1 19 "Average Difference" HA 145 0.445 -0.056 0.443 19395 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19395 112 1 19 "Average Difference" CA 135 1.307 -0.226 1.293 19395 113 1 19 "Average Difference" CB 129 1.759 -0.249 1.748 19395 114 1 19 "Average Difference" HN 127 0.699 -0.068 0.698 19395 115 1 20 "Average Difference" N 125 3.847 -0.628 3.811 19395 116 1 20 "Average Difference" HA 145 0.469 -0.071 0.466 19395 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19395 118 1 20 "Average Difference" CA 135 1.379 -0.152 1.376 19395 119 1 20 "Average Difference" CB 129 1.685 -0.209 1.678 19395 120 1 20 "Average Difference" HN 127 0.686 -0.102 0.681 19395 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 19395 _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 7 7 PRO HA H 7 4.347 4.347 4.446 -0.099 19395 2 1 . 1 1 7 7 PRO CA C 7 62.538 62.538 62.756 -0.218 19395 3 1 . 1 1 7 7 PRO CB C 7 31.792 31.792 32.556 -0.764 19395 4 1 . 1 1 8 8 ALA N N 8 126.708 126.708 127.068 -0.360 19395 5 1 . 1 1 8 8 ALA HA H 8 4.611 4.611 4.852 -0.241 19395 6 1 . 1 1 8 8 ALA CA C 8 50.308 50.308 49.275 1.033 19395 7 1 . 1 1 8 8 ALA CB C 8 18.205 18.205 19.157 -0.952 19395 8 1 . 1 1 8 8 ALA H H 8 8.399 8.399 8.272 0.127 19395 9 1 . 1 1 9 9 PRO HA H 9 4.651 4.651 4.304 0.347 19395 10 1 . 1 1 9 9 PRO CA C 9 62.583 62.583 62.188 0.395 19395 11 1 . 1 1 9 9 PRO CB C 9 32.511 32.511 32.594 -0.083 19395 12 1 . 1 1 10 10 VAL N N 10 118.581 118.581 119.637 -1.056 19395 13 1 . 1 1 10 10 VAL HA H 10 4.301 4.301 4.331 -0.030 19395 14 1 . 1 1 10 10 VAL CA C 10 60.833 60.833 61.208 -0.375 19395 15 1 . 1 1 10 10 VAL CB C 10 34.677 34.677 34.400 0.277 19395 16 1 . 1 1 10 10 VAL H H 10 8.025 8.025 7.976 0.049 19395 17 1 . 1 1 11 11 GLU N N 11 129.673 129.673 129.268 0.405 19395 18 1 . 1 1 11 11 GLU HA H 11 5.085 5.085 5.049 0.036 19395 19 1 . 1 1 11 11 GLU CA C 11 54.747 54.747 54.995 -0.248 19395 20 1 . 1 1 11 11 GLU CB C 11 32.129 32.129 31.358 0.771 19395 21 1 . 1 1 11 11 GLU H H 11 8.723 8.723 8.802 -0.079 19395 22 1 . 1 1 12 12 VAL N N 12 127.093 127.093 127.930 -0.837 19395 23 1 . 1 1 12 12 VAL HA H 12 4.283 4.283 4.498 -0.215 19395 24 1 . 1 1 12 12 VAL CA C 12 61.596 61.596 60.153 1.443 19395 25 1 . 1 1 12 12 VAL CB C 12 34.546 34.546 33.689 0.857 19395 26 1 . 1 1 12 12 VAL H H 12 9.247 9.247 8.915 0.332 19395 27 1 . 1 1 13 13 SER N N 13 123.385 123.385 125.269 -1.884 19395 28 1 . 1 1 13 13 SER HA H 13 5.302 5.302 4.842 0.460 19395 29 1 . 1 1 13 13 SER CA C 13 56.409 56.409 58.234 -1.825 19395 30 1 . 1 1 13 13 SER CB C 13 64.981 64.981 63.578 1.403 19395 31 1 . 1 1 13 13 SER H H 13 9.001 9.001 8.573 0.428 19395 32 1 . 1 1 14 14 TYR N N 14 124.413 124.413 127.790 -3.377 19395 33 1 . 1 1 14 14 TYR HA H 14 4.537 4.537 4.560 -0.023 19395 34 1 . 1 1 14 14 TYR CA C 14 58.233 58.233 57.834 0.399 19395 35 1 . 1 1 14 14 TYR CB C 14 41.579 41.579 39.997 1.582 19395 36 1 . 1 1 14 14 TYR H H 14 8.347 8.347 8.870 -0.523 19395 37 1 . 1 1 15 15 LYS N N 15 125.130 125.130 119.410 5.720 19395 38 1 . 1 1 15 15 LYS HA H 15 3.399 3.399 3.969 -0.570 19395 39 1 . 1 1 15 15 LYS CA C 15 58.374 58.374 58.531 -0.157 19395 40 1 . 1 1 15 15 LYS CB C 15 29.894 29.894 32.229 -2.335 19395 41 1 . 1 1 15 15 LYS H H 15 8.820 8.820 8.258 0.562 19395 42 1 . 1 1 16 16 HIS N N 16 121.278 121.278 117.038 4.240 19395 43 1 . 1 1 16 16 HIS HA H 16 4.450 4.450 4.688 -0.238 19395 44 1 . 1 1 16 16 HIS CA C 16 56.738 56.738 55.293 1.445 19395 45 1 . 1 1 16 16 HIS CB C 16 30.229 30.229 30.213 0.016 19395 46 1 . 1 1 16 16 HIS H H 16 8.784 8.784 8.173 0.611 19395 47 1 . 1 1 17 17 MET N N 17 120.113 120.113 115.183 4.930 19395 48 1 . 1 1 17 17 MET HA H 17 2.326 2.326 4.817 -2.491 19395 49 1 . 1 1 17 17 MET CA C 17 54.714 54.714 54.790 -0.076 19395 50 1 . 1 1 17 17 MET CB C 17 34.848 34.848 35.497 -0.648 19395 51 1 . 1 1 17 17 MET H H 17 8.106 8.106 7.479 0.626 19395 52 1 . 1 1 18 18 ARG N N 18 121.252 121.252 120.465 0.787 19395 53 1 . 1 1 18 18 ARG HA H 18 4.839 4.839 5.286 -0.447 19395 54 1 . 1 1 18 18 ARG CA C 18 56.794 56.794 56.419 0.375 19395 55 1 . 1 1 18 18 ARG CB C 18 33.816 33.816 33.662 0.154 19395 56 1 . 1 1 18 18 ARG H H 18 5.904 5.904 8.567 -2.663 19395 57 1 . 1 1 19 19 PHE N N 19 121.195 121.195 122.374 -1.179 19395 58 1 . 1 1 19 19 PHE HA H 19 6.000 6.000 5.272 0.728 19395 59 1 . 1 1 19 19 PHE CA C 19 55.618 55.618 55.613 0.005 19395 60 1 . 1 1 19 19 PHE CB C 19 43.616 43.616 43.502 0.114 19395 61 1 . 1 1 19 19 PHE H H 19 9.178 9.178 9.309 -0.131 19395 62 1 . 1 1 20 20 LEU N N 20 123.804 123.804 122.135 1.669 19395 63 1 . 1 1 20 20 LEU HA H 20 5.110 5.110 5.216 -0.106 19395 64 1 . 1 1 20 20 LEU CA C 20 52.568 52.568 53.971 -1.403 19395 65 1 . 1 1 20 20 LEU CB C 20 46.883 46.883 44.833 2.050 19395 66 1 . 1 1 20 20 LEU H H 20 8.601 8.601 9.319 -0.718 19395 67 1 . 1 1 21 21 ILE N N 21 126.661 126.661 123.000 3.661 19395 68 1 . 1 1 21 21 ILE HA H 21 5.131 5.131 5.265 -0.134 19395 69 1 . 1 1 21 21 ILE CA C 21 60.828 60.828 58.995 1.833 19395 70 1 . 1 1 21 21 ILE CB C 21 38.209 38.209 37.446 0.763 19395 71 1 . 1 1 21 21 ILE H H 21 9.323 9.323 9.166 0.157 19395 72 1 . 1 1 25 25 PRO HA H 25 4.329 4.329 4.450 -0.121 19395 73 1 . 1 1 25 25 PRO CA C 25 61.818 61.818 63.555 -1.737 19395 74 1 . 1 1 25 25 PRO CB C 25 32.524 32.524 31.740 0.784 19395 75 1 . 1 1 26 26 THR N N 26 131.812 131.812 114.609 17.203 19395 76 1 . 1 1 26 26 THR H H 26 6.781 6.781 8.031 -1.250 19395 77 1 . 1 1 28 28 ALA HA H 28 4.344 4.344 4.174 0.170 19395 78 1 . 1 1 28 28 ALA CA C 28 54.021 54.021 53.816 0.205 19395 79 1 . 1 1 28 28 ALA CB C 28 19.183 19.183 19.094 0.089 19395 80 1 . 1 1 29 29 THR N N 29 104.375 104.375 110.559 -6.184 19395 81 1 . 1 1 29 29 THR HA H 29 4.847 4.847 4.350 0.497 19395 82 1 . 1 1 29 29 THR CA C 29 60.370 60.370 61.638 -1.268 19395 83 1 . 1 1 29 29 THR CB C 29 69.135 69.135 69.728 -0.593 19395 84 1 . 1 1 29 29 THR H H 29 7.642 7.642 7.654 -0.012 19395 85 1 . 1 1 30 30 LEU N N 30 124.383 124.383 121.104 3.279 19395 86 1 . 1 1 30 30 LEU HA H 30 4.013 4.013 4.024 -0.011 19395 87 1 . 1 1 30 30 LEU CA C 30 57.711 57.711 57.036 0.675 19395 88 1 . 1 1 30 30 LEU CB C 30 42.354 42.354 40.730 1.624 19395 89 1 . 1 1 30 30 LEU H H 30 7.356 7.356 7.987 -0.631 19395 90 1 . 1 1 31 31 SER N N 31 111.792 111.792 114.807 -3.015 19395 91 1 . 1 1 31 31 SER H H 31 6.915 6.915 8.351 -1.436 19395 92 1 . 1 1 32 32 THR N N 32 116.374 116.374 116.745 -0.371 19395 93 1 . 1 1 32 32 THR HA H 32 4.109 4.109 4.138 -0.029 19395 94 1 . 1 1 32 32 THR CA C 32 65.142 65.142 65.987 -0.845 19395 95 1 . 1 1 32 32 THR CB C 32 68.628 68.628 68.769 -0.141 19395 96 1 . 1 1 32 32 THR H H 32 7.589 7.589 8.083 -0.494 19395 97 1 . 1 1 33 33 PHE N N 33 124.790 124.790 123.229 1.561 19395 98 1 . 1 1 33 33 PHE HA H 33 4.475 4.475 4.317 0.158 19395 99 1 . 1 1 33 33 PHE CA C 33 61.050 61.050 60.638 0.412 19395 100 1 . 1 1 33 33 PHE CB C 33 39.839 39.839 38.524 1.315 19395 101 1 . 1 1 33 33 PHE H H 33 7.644 7.644 7.975 -0.332 19395 102 1 . 1 1 34 34 ILE N N 34 117.776 117.776 118.061 -0.285 19395 103 1 . 1 1 34 34 ILE HA H 34 3.347 3.347 3.082 0.265 19395 104 1 . 1 1 34 34 ILE CA C 34 67.022 67.022 65.212 1.810 19395 105 1 . 1 1 34 34 ILE CB C 34 31.646 31.646 37.366 -5.720 19395 106 1 . 1 1 34 34 ILE H H 34 8.535 8.535 8.483 0.052 19395 107 1 . 1 1 35 35 GLU N N 35 119.202 119.202 119.099 0.103 19395 108 1 . 1 1 35 35 GLU HA H 35 3.927 3.927 3.933 -0.006 19395 109 1 . 1 1 35 35 GLU CA C 35 59.746 59.746 59.648 0.098 19395 110 1 . 1 1 35 35 GLU CB C 35 29.375 29.375 29.000 0.375 19395 111 1 . 1 1 35 35 GLU H H 35 7.512 7.512 7.611 -0.099 19395 112 1 . 1 1 36 36 ASP N N 36 121.117 121.117 120.538 0.579 19395 113 1 . 1 1 36 36 ASP HA H 36 4.554 4.554 4.492 0.062 19395 114 1 . 1 1 36 36 ASP CA C 36 57.938 57.938 57.214 0.724 19395 115 1 . 1 1 36 36 ASP CB C 36 40.119 40.119 40.610 -0.491 19395 116 1 . 1 1 36 36 ASP H H 36 8.049 8.049 8.083 -0.034 19395 117 1 . 1 1 37 37 LEU N N 37 119.257 119.257 116.578 2.679 19395 118 1 . 1 1 37 37 LEU HA H 37 3.753 3.753 4.226 -0.473 19395 119 1 . 1 1 37 37 LEU CA C 37 58.503 58.503 57.724 0.779 19395 120 1 . 1 1 37 37 LEU CB C 37 39.960 39.960 41.104 -1.143 19395 121 1 . 1 1 37 37 LEU H H 37 8.016 8.016 7.559 0.457 19395 122 1 . 1 1 38 38 LYS N N 38 117.743 117.743 119.745 -2.002 19395 123 1 . 1 1 38 38 LYS HA H 38 4.098 4.098 4.110 -0.012 19395 124 1 . 1 1 38 38 LYS CA C 38 59.304 59.304 59.330 -0.026 19395 125 1 . 1 1 38 38 LYS CB C 38 32.268 32.268 32.779 -0.511 19395 126 1 . 1 1 38 38 LYS H H 38 8.336 8.336 7.934 0.402 19395 127 1 . 1 1 39 39 LYS N N 39 122.164 122.164 117.915 4.249 19395 128 1 . 1 1 39 39 LYS HA H 39 4.156 4.156 4.096 0.060 19395 129 1 . 1 1 39 39 LYS CA C 39 59.433 59.433 58.821 0.612 19395 130 1 . 1 1 39 39 LYS CB C 39 32.411 32.411 32.098 0.313 19395 131 1 . 1 1 39 39 LYS H H 39 8.113 8.113 8.172 -0.059 19395 132 1 . 1 1 40 40 TYR N N 40 114.347 114.347 118.945 -4.598 19395 133 1 . 1 1 40 40 TYR HA H 40 4.395 4.395 4.330 0.065 19395 134 1 . 1 1 40 40 TYR CA C 40 59.650 59.650 59.589 0.061 19395 135 1 . 1 1 40 40 TYR CB C 40 39.696 39.696 38.388 1.308 19395 136 1 . 1 1 40 40 TYR H H 40 7.626 7.626 7.934 -0.309 19395 137 1 . 1 1 41 41 GLY N N 41 109.921 109.921 104.934 4.987 19395 138 1 . 1 1 41 41 GLY CA C 41 46.766 46.766 45.018 1.748 19395 139 1 . 1 1 41 41 GLY H H 41 7.878 7.878 7.378 0.500 19395 140 1 . 1 1 42 42 ALA N N 42 123.757 123.757 123.111 0.646 19395 141 1 . 1 1 42 42 ALA HA H 42 5.158 5.158 4.970 0.188 19395 142 1 . 1 1 42 42 ALA CA C 42 51.138 51.138 50.967 0.171 19395 143 1 . 1 1 42 42 ALA CB C 42 19.909 19.909 20.610 -0.701 19395 144 1 . 1 1 42 42 ALA H H 42 8.544 8.544 8.173 0.371 19395 145 1 . 1 1 43 43 THR N N 43 109.574 109.574 114.785 -5.212 19395 146 1 . 1 1 43 43 THR HA H 43 4.479 4.479 4.432 0.047 19395 147 1 . 1 1 43 43 THR CA C 43 61.144 61.144 61.388 -0.244 19395 148 1 . 1 1 43 43 THR CB C 43 69.180 69.180 68.283 0.897 19395 149 1 . 1 1 43 43 THR H H 43 7.969 7.969 8.397 -0.428 19395 150 1 . 1 1 44 44 THR N N 44 118.101 118.101 116.693 1.409 19395 151 1 . 1 1 44 44 THR HA H 44 5.226 5.226 5.005 0.221 19395 152 1 . 1 1 44 44 THR CA C 44 62.061 62.061 61.489 0.572 19395 153 1 . 1 1 44 44 THR CB C 44 72.595 72.595 72.293 0.302 19395 154 1 . 1 1 44 44 THR H H 44 7.458 7.458 7.398 0.060 19395 155 1 . 1 1 45 45 VAL N N 45 127.571 127.571 124.094 3.477 19395 156 1 . 1 1 45 45 VAL HA H 45 4.702 4.702 4.470 0.232 19395 157 1 . 1 1 45 45 VAL CA C 45 60.504 60.504 60.489 0.015 19395 158 1 . 1 1 45 45 VAL CB C 45 35.182 35.182 32.865 2.317 19395 159 1 . 1 1 45 45 VAL H H 45 9.398 9.398 9.042 0.356 19395 160 1 . 1 1 46 46 VAL N N 46 129.011 129.011 121.762 7.249 19395 161 1 . 1 1 46 46 VAL HA H 46 4.330 4.330 4.286 0.044 19395 162 1 . 1 1 46 46 VAL CA C 46 61.517 61.517 62.094 -0.577 19395 163 1 . 1 1 46 46 VAL CB C 46 32.232 32.232 29.875 2.357 19395 164 1 . 1 1 46 46 VAL H H 46 9.342 9.342 8.979 0.363 19395 165 1 . 1 1 47 47 ARG N N 47 129.852 129.852 119.501 10.351 19395 166 1 . 1 1 47 47 ARG HA H 47 4.295 4.295 4.081 0.214 19395 167 1 . 1 1 47 47 ARG CA C 47 56.019 56.019 57.054 -1.035 19395 168 1 . 1 1 47 47 ARG CB C 47 30.817 30.817 29.912 0.905 19395 169 1 . 1 1 47 47 ARG H H 47 9.037 9.037 7.958 1.079 19395 170 1 . 1 1 49 49 CYS HA H 49 3.934 3.934 4.768 -0.834 19395 171 1 . 1 1 49 49 CYS CA C 49 55.688 55.688 57.245 -1.557 19395 172 1 . 1 1 49 49 CYS CB C 49 41.121 41.121 28.910 12.211 19395 173 1 . 1 1 50 50 GLU N N 50 114.931 114.931 121.466 -6.535 19395 174 1 . 1 1 50 50 GLU HA H 50 4.086 4.086 4.254 -0.168 19395 175 1 . 1 1 50 50 GLU CA C 50 56.300 56.300 56.399 -0.099 19395 176 1 . 1 1 50 50 GLU CB C 50 29.445 29.445 27.770 1.675 19395 177 1 . 1 1 50 50 GLU H H 50 8.669 8.669 8.491 0.178 19395 178 1 . 1 1 51 51 VAL N N 51 122.453 122.453 117.689 4.764 19395 179 1 . 1 1 51 51 VAL HA H 51 3.421 3.421 4.151 -0.730 19395 180 1 . 1 1 51 51 VAL CA C 51 64.120 64.120 62.698 1.422 19395 181 1 . 1 1 51 51 VAL CB C 51 32.030 32.030 32.321 -0.291 19395 182 1 . 1 1 51 51 VAL H H 51 8.356 8.356 7.855 0.501 19395 183 1 . 1 1 52 52 THR N N 52 118.382 118.382 114.729 3.653 19395 184 1 . 1 1 52 52 THR HA H 52 4.525 4.525 4.423 0.102 19395 185 1 . 1 1 52 52 THR CA C 52 61.197 61.197 61.464 -0.267 19395 186 1 . 1 1 52 52 THR CB C 52 69.429 69.429 68.929 0.500 19395 187 1 . 1 1 52 52 THR H H 52 8.936 8.936 8.141 0.795 19395 188 1 . 1 1 53 53 TYR N N 53 116.747 116.747 119.986 -3.239 19395 189 1 . 1 1 53 53 TYR HA H 53 4.762 4.762 4.796 -0.034 19395 190 1 . 1 1 53 53 TYR CA C 53 55.653 55.653 57.020 -1.367 19395 191 1 . 1 1 53 53 TYR CB C 53 39.833 39.833 39.914 -0.081 19395 192 1 . 1 1 53 53 TYR H H 53 7.040 7.040 7.632 -0.592 19395 193 1 . 1 1 54 54 ASP N N 54 123.720 123.720 124.818 -1.098 19395 194 1 . 1 1 54 54 ASP HA H 54 4.508 4.508 4.441 0.067 19395 195 1 . 1 1 54 54 ASP CA C 54 53.571 53.571 53.943 -0.372 19395 196 1 . 1 1 54 54 ASP CB C 54 41.364 41.364 42.013 -0.649 19395 197 1 . 1 1 54 54 ASP H H 54 9.280 9.280 8.389 0.891 19395 198 1 . 1 1 55 55 LYS N N 55 121.455 121.455 122.297 -0.842 19395 199 1 . 1 1 55 55 LYS HA H 55 4.519 4.519 4.232 0.287 19395 200 1 . 1 1 55 55 LYS CA C 55 56.944 56.944 56.392 0.552 19395 201 1 . 1 1 55 55 LYS CB C 55 32.940 32.940 31.697 1.243 19395 202 1 . 1 1 55 55 LYS H H 55 8.497 8.497 8.260 0.237 19395 203 1 . 1 1 56 56 THR N N 56 120.743 120.743 118.495 2.248 19395 204 1 . 1 1 56 56 THR HA H 56 4.120 4.120 4.589 -0.469 19395 205 1 . 1 1 56 56 THR CA C 56 68.652 68.652 63.363 5.289 19395 206 1 . 1 1 56 56 THR CB C 56 66.508 66.508 68.243 -1.735 19395 207 1 . 1 1 56 56 THR H H 56 8.701 8.701 8.414 0.287 19395 208 1 . 1 1 57 57 PRO HA H 57 4.291 4.291 4.460 -0.169 19395 209 1 . 1 1 57 57 PRO CA C 57 65.833 65.833 65.507 0.326 19395 210 1 . 1 1 57 57 PRO CB C 57 31.390 31.390 31.272 0.117 19395 211 1 . 1 1 58 58 LEU N N 58 116.313 116.313 117.404 -1.091 19395 212 1 . 1 1 58 58 LEU HA H 58 4.054 4.054 4.075 -0.021 19395 213 1 . 1 1 58 58 LEU CA C 58 59.142 59.142 57.538 1.604 19395 214 1 . 1 1 58 58 LEU CB C 58 40.354 40.354 40.146 0.208 19395 215 1 . 1 1 58 58 LEU H H 58 7.170 7.170 8.338 -1.168 19395 216 1 . 1 1 59 59 GLU N N 59 120.470 120.470 120.117 0.354 19395 217 1 . 1 1 59 59 GLU HA H 59 4.391 4.391 4.064 0.327 19395 218 1 . 1 1 59 59 GLU CA C 59 59.104 59.104 59.065 0.039 19395 219 1 . 1 1 59 59 GLU CB C 59 29.326 29.326 29.287 0.039 19395 220 1 . 1 1 59 59 GLU H H 59 7.794 7.794 8.626 -0.832 19395 221 1 . 1 1 60 60 LYS N N 60 119.911 119.911 118.878 1.033 19395 222 1 . 1 1 60 60 LYS HA H 60 4.108 4.108 4.228 -0.120 19395 223 1 . 1 1 60 60 LYS CA C 60 58.555 58.555 57.460 1.095 19395 224 1 . 1 1 60 60 LYS CB C 60 32.063 32.063 32.052 0.011 19395 225 1 . 1 1 60 60 LYS H H 60 8.246 8.246 7.818 0.428 19395 226 1 . 1 1 61 61 ASP N N 61 119.142 119.142 117.562 1.580 19395 227 1 . 1 1 61 61 ASP HA H 61 4.970 4.970 4.691 0.279 19395 228 1 . 1 1 61 61 ASP CA C 61 53.779 53.779 54.273 -0.494 19395 229 1 . 1 1 61 61 ASP CB C 61 41.887 41.887 40.809 1.078 19395 230 1 . 1 1 61 61 ASP H H 61 7.235 7.235 7.612 -0.377 19395 231 1 . 1 1 62 62 GLY N N 62 105.820 105.820 107.664 -1.844 19395 232 1 . 1 1 62 62 GLY CA C 62 46.042 46.042 45.849 0.193 19395 233 1 . 1 1 62 62 GLY H H 62 7.742 7.742 7.549 0.193 19395 234 1 . 1 1 63 63 ILE N N 63 123.074 123.074 119.806 3.268 19395 235 1 . 1 1 63 63 ILE HA H 63 4.338 4.338 4.142 0.196 19395 236 1 . 1 1 63 63 ILE CA C 63 59.530 59.530 60.323 -0.793 19395 237 1 . 1 1 63 63 ILE CB C 63 38.518 38.518 39.291 -0.773 19395 238 1 . 1 1 63 63 ILE H H 63 7.870 7.870 7.746 0.124 19395 239 1 . 1 1 64 64 THR N N 64 123.510 123.510 123.042 0.468 19395 240 1 . 1 1 64 64 THR HA H 64 4.316 4.316 4.308 0.008 19395 241 1 . 1 1 64 64 THR CA C 64 63.015 63.015 62.615 0.400 19395 242 1 . 1 1 64 64 THR CB C 64 70.376 70.376 69.204 1.172 19395 243 1 . 1 1 64 64 THR H H 64 8.200 8.200 8.733 -0.533 19395 244 1 . 1 1 65 65 VAL N N 65 128.299 128.299 127.659 0.640 19395 245 1 . 1 1 65 65 VAL HA H 65 5.048 5.048 4.051 0.997 19395 246 1 . 1 1 65 65 VAL CA C 65 61.047 61.047 62.177 -1.130 19395 247 1 . 1 1 65 65 VAL CB C 65 33.117 33.117 32.168 0.949 19395 248 1 . 1 1 65 65 VAL H H 65 8.919 8.919 8.630 0.289 19395 249 1 . 1 1 66 66 VAL N N 66 129.962 129.962 129.597 0.365 19395 250 1 . 1 1 66 66 VAL HA H 66 3.927 3.927 4.001 -0.074 19395 251 1 . 1 1 66 66 VAL CA C 66 60.683 60.683 60.737 -0.054 19395 252 1 . 1 1 66 66 VAL CB C 66 33.620 33.620 31.184 2.436 19395 253 1 . 1 1 66 66 VAL H H 66 9.145 9.145 8.037 1.108 19395 254 1 . 1 1 67 67 ASP N N 67 126.437 126.437 124.045 2.393 19395 255 1 . 1 1 67 67 ASP HA H 67 5.319 5.319 4.782 0.537 19395 256 1 . 1 1 67 67 ASP CA C 67 54.170 54.170 52.051 2.119 19395 257 1 . 1 1 67 67 ASP CB C 67 43.071 43.071 41.318 1.753 19395 258 1 . 1 1 67 67 ASP H H 67 8.099 8.099 7.417 0.682 19395 259 1 . 1 1 68 68 TRP N N 68 125.863 125.863 122.021 3.842 19395 260 1 . 1 1 68 68 TRP HA H 68 5.540 5.540 4.923 0.617 19395 261 1 . 1 1 68 68 TRP CA C 68 51.631 51.631 53.833 -2.202 19395 262 1 . 1 1 68 68 TRP CB C 68 30.303 30.303 31.816 -1.513 19395 263 1 . 1 1 68 68 TRP H H 68 8.305 8.305 7.660 0.645 19395 264 1 . 1 1 69 69 PRO HA H 69 3.985 3.985 4.581 -0.596 19395 265 1 . 1 1 69 69 PRO CA C 69 62.943 62.943 63.123 -0.180 19395 266 1 . 1 1 69 69 PRO CB C 69 31.544 31.544 30.673 0.871 19395 267 1 . 1 1 70 70 PHE N N 70 113.153 113.153 118.798 -5.645 19395 268 1 . 1 1 70 70 PHE HA H 70 4.760 4.760 4.401 0.359 19395 269 1 . 1 1 70 70 PHE CA C 70 56.067 56.067 58.572 -2.505 19395 270 1 . 1 1 70 70 PHE CB C 70 39.334 39.334 39.031 0.303 19395 271 1 . 1 1 70 70 PHE H H 70 7.237 7.237 8.302 -1.065 19395 272 1 . 1 1 71 71 ASP N N 71 120.632 120.632 120.148 0.484 19395 273 1 . 1 1 71 71 ASP HA H 71 4.282 4.282 4.660 -0.378 19395 274 1 . 1 1 71 71 ASP CA C 71 55.907 55.907 54.410 1.497 19395 275 1 . 1 1 71 71 ASP CB C 71 41.099 41.099 39.982 1.117 19395 276 1 . 1 1 71 71 ASP H H 71 8.514 8.514 7.995 0.519 19395 277 1 . 1 1 73 73 GLY H H 73 8.510 8.510 8.037 0.473 19395 278 1 . 1 1 74 74 ALA N N 74 123.138 123.138 123.740 -0.602 19395 279 1 . 1 1 74 74 ALA HA H 74 4.840 4.840 4.508 0.332 19395 280 1 . 1 1 74 74 ALA CA C 74 50.106 50.106 50.638 -0.532 19395 281 1 . 1 1 74 74 ALA CB C 74 20.264 20.264 18.900 1.364 19395 282 1 . 1 1 74 74 ALA H H 74 7.833 7.833 7.966 -0.133 19395 283 1 . 1 1 75 75 PRO CB C 75 31.456 31.456 31.095 0.361 19395 284 1 . 1 1 79 79 LYS N N 79 119.944 119.944 120.465 -0.521 19395 285 1 . 1 1 79 79 LYS HA H 79 3.940 3.940 4.374 -0.434 19395 286 1 . 1 1 79 79 LYS CA C 79 58.824 58.824 57.443 1.381 19395 287 1 . 1 1 79 79 LYS CB C 79 32.310 32.310 32.942 -0.632 19395 288 1 . 1 1 79 79 LYS H H 79 8.425 8.425 7.726 0.699 19395 289 1 . 1 1 80 80 VAL N N 80 116.231 116.231 119.249 -3.018 19395 290 1 . 1 1 80 80 VAL HA H 80 3.395 3.395 3.678 -0.283 19395 291 1 . 1 1 80 80 VAL CA C 80 64.913 64.913 65.116 -0.203 19395 292 1 . 1 1 80 80 VAL CB C 80 31.293 31.293 30.962 0.331 19395 293 1 . 1 1 80 80 VAL H H 80 6.338 6.338 8.125 -1.787 19395 294 1 . 1 1 81 81 VAL N N 81 118.082 118.082 115.948 2.134 19395 295 1 . 1 1 81 81 VAL HA H 81 3.185 3.185 3.633 -0.448 19395 296 1 . 1 1 81 81 VAL CA C 81 68.624 68.624 66.203 2.421 19395 297 1 . 1 1 81 81 VAL CB C 81 31.645 31.645 30.961 0.684 19395 298 1 . 1 1 81 81 VAL H H 81 7.362 7.362 7.709 -0.347 19395 299 1 . 1 1 82 82 GLU N N 82 117.196 117.196 119.372 -2.176 19395 300 1 . 1 1 82 82 GLU HA H 82 3.936 3.936 3.946 -0.010 19395 301 1 . 1 1 82 82 GLU CA C 82 59.494 59.494 59.802 -0.308 19395 302 1 . 1 1 82 82 GLU CB C 82 29.451 29.451 29.036 0.415 19395 303 1 . 1 1 82 82 GLU H H 82 7.878 7.878 7.848 0.030 19395 304 1 . 1 1 83 83 ASP N N 83 121.828 121.828 120.249 1.579 19395 305 1 . 1 1 83 83 ASP HA H 83 4.239 4.239 4.314 -0.075 19395 306 1 . 1 1 83 83 ASP CA C 83 57.279 57.279 56.501 0.778 19395 307 1 . 1 1 83 83 ASP CB C 83 38.149 38.149 39.664 -1.515 19395 308 1 . 1 1 83 83 ASP H H 83 8.156 8.156 7.687 0.469 19395 309 1 . 1 1 84 84 TRP N N 84 124.374 124.374 122.049 2.325 19395 310 1 . 1 1 84 84 TRP HA H 84 4.924 4.924 4.252 0.672 19395 311 1 . 1 1 84 84 TRP CA C 84 60.022 60.022 60.775 -0.753 19395 312 1 . 1 1 84 84 TRP CB C 84 29.810 29.810 29.757 0.053 19395 313 1 . 1 1 84 84 TRP H H 84 8.939 8.939 7.929 1.010 19395 314 1 . 1 1 85 85 LEU N N 85 117.918 117.918 117.203 0.715 19395 315 1 . 1 1 85 85 LEU HA H 85 3.760 3.760 4.017 -0.257 19395 316 1 . 1 1 85 85 LEU CA C 85 57.998 57.998 57.916 0.082 19395 317 1 . 1 1 85 85 LEU CB C 85 41.329 41.329 40.832 0.497 19395 318 1 . 1 1 85 85 LEU H H 85 8.723 8.723 8.100 0.623 19395 319 1 . 1 1 86 86 SER N N 86 114.182 114.182 114.965 -0.783 19395 320 1 . 1 1 86 86 SER HA H 86 4.187 4.187 4.170 0.017 19395 321 1 . 1 1 86 86 SER CA C 86 61.997 61.997 61.690 0.307 19395 322 1 . 1 1 86 86 SER CB C 86 62.984 62.984 63.148 -0.164 19395 323 1 . 1 1 86 86 SER H H 86 8.067 8.067 8.062 0.005 19395 324 1 . 1 1 87 87 LEU N N 87 125.441 125.441 122.683 2.758 19395 325 1 . 1 1 87 87 LEU HA H 87 4.210 4.210 4.109 0.101 19395 326 1 . 1 1 87 87 LEU CA C 87 58.937 58.937 58.216 0.721 19395 327 1 . 1 1 87 87 LEU CB C 87 42.579 42.579 41.608 0.971 19395 328 1 . 1 1 87 87 LEU H H 87 8.300 8.300 8.171 0.129 19395 329 1 . 1 1 88 88 VAL N N 88 116.784 116.784 118.027 -1.243 19395 330 1 . 1 1 88 88 VAL HA H 88 3.066 3.066 3.700 -0.634 19395 331 1 . 1 1 88 88 VAL CA C 88 66.385 66.385 67.034 -0.649 19395 332 1 . 1 1 88 88 VAL CB C 88 30.764 30.764 31.228 -0.464 19395 333 1 . 1 1 88 88 VAL H H 88 8.468 8.468 7.926 0.542 19395 334 1 . 1 1 89 89 LYS N N 89 118.569 118.569 119.046 -0.477 19395 335 1 . 1 1 89 89 LYS HA H 89 4.025 4.025 4.321 -0.296 19395 336 1 . 1 1 89 89 LYS CA C 89 59.476 59.476 58.851 0.625 19395 337 1 . 1 1 89 89 LYS CB C 89 32.856 32.856 32.358 0.497 19395 338 1 . 1 1 89 89 LYS H H 89 7.652 7.652 8.469 -0.817 19395 339 1 . 1 1 90 90 ALA N N 90 119.043 119.043 121.390 -2.347 19395 340 1 . 1 1 90 90 ALA HA H 90 4.151 4.151 4.310 -0.159 19395 341 1 . 1 1 90 90 ALA CA C 90 55.045 55.045 53.925 1.120 19395 342 1 . 1 1 90 90 ALA CB C 90 18.454 18.454 19.672 -1.218 19395 343 1 . 1 1 90 90 ALA H H 90 7.616 7.616 7.959 -0.343 19395 344 1 . 1 1 91 91 LYS N N 91 117.654 117.654 120.323 -2.669 19395 345 1 . 1 1 91 91 LYS HA H 91 3.937 3.937 3.976 -0.039 19395 346 1 . 1 1 91 91 LYS CA C 91 57.754 57.754 59.066 -1.312 19395 347 1 . 1 1 91 91 LYS CB C 91 30.163 30.163 31.959 -1.796 19395 348 1 . 1 1 91 91 LYS H H 91 8.658 8.658 8.583 0.075 19395 349 1 . 1 1 92 92 PHE N N 92 113.471 113.471 118.807 -5.336 19395 350 1 . 1 1 92 92 PHE HA H 92 4.619 4.619 4.415 0.205 19395 351 1 . 1 1 92 92 PHE CA C 92 58.595 58.595 59.198 -0.603 19395 352 1 . 1 1 92 92 PHE CB C 92 37.684 37.684 39.212 -1.528 19395 353 1 . 1 1 92 92 PHE H H 92 7.472 7.472 8.347 -0.875 19395 354 1 . 1 1 93 93 CYS N N 93 117.138 117.138 118.494 -1.356 19395 355 1 . 1 1 93 93 CYS HA H 93 4.363 4.363 3.725 0.638 19395 356 1 . 1 1 93 93 CYS CA C 93 61.964 61.964 59.648 2.316 19395 357 1 . 1 1 93 93 CYS CB C 93 27.478 27.478 27.409 0.069 19395 358 1 . 1 1 93 93 CYS H H 93 7.562 7.562 7.455 0.107 19395 359 1 . 1 1 94 94 GLU N N 94 118.594 118.594 119.915 -1.321 19395 360 1 . 1 1 94 94 GLU HA H 94 4.127 4.127 4.306 -0.179 19395 361 1 . 1 1 94 94 GLU CA C 94 58.041 58.041 56.577 1.464 19395 362 1 . 1 1 94 94 GLU CB C 94 30.073 30.073 30.178 -0.105 19395 363 1 . 1 1 94 94 GLU H H 94 8.236 8.236 8.357 -0.121 19395 364 1 . 1 1 95 95 ALA N N 95 121.081 121.081 123.147 -2.066 19395 365 1 . 1 1 95 95 ALA HA H 95 4.877 4.877 4.752 0.125 19395 366 1 . 1 1 95 95 ALA CA C 95 49.369 49.369 49.162 0.207 19395 367 1 . 1 1 95 95 ALA CB C 95 18.124 18.124 20.090 -1.966 19395 368 1 . 1 1 95 95 ALA H H 95 7.898 7.898 7.654 0.244 19395 369 1 . 1 1 96 96 PRO HA H 96 4.823 4.823 4.393 0.430 19395 370 1 . 1 1 96 96 PRO CA C 96 63.967 63.967 63.386 0.581 19395 371 1 . 1 1 96 96 PRO CB C 96 31.556 31.556 30.490 1.066 19395 372 1 . 1 1 97 97 GLY N N 97 113.478 113.478 113.635 -0.157 19395 373 1 . 1 1 97 97 GLY CA C 97 45.699 45.699 45.800 -0.101 19395 374 1 . 1 1 97 97 GLY H H 97 9.198 9.198 8.301 0.897 19395 375 1 . 1 1 98 98 SER N N 98 115.643 115.643 114.737 0.906 19395 376 1 . 1 1 98 98 SER HA H 98 4.560 4.560 4.272 0.288 19395 377 1 . 1 1 98 98 SER CA C 98 58.923 58.923 59.797 -0.874 19395 378 1 . 1 1 98 98 SER CB C 98 64.427 64.427 64.362 0.065 19395 379 1 . 1 1 98 98 SER H H 98 8.066 8.066 7.795 0.271 19395 380 1 . 1 1 99 99 CYS N N 99 115.484 115.484 116.780 -1.296 19395 381 1 . 1 1 99 99 CYS HA H 99 5.397 5.397 5.170 0.227 19395 382 1 . 1 1 99 99 CYS CA C 99 55.787 55.787 57.357 -1.570 19395 383 1 . 1 1 99 99 CYS CB C 99 29.985 29.985 31.887 -1.902 19395 384 1 . 1 1 99 99 CYS H H 99 7.532 7.532 8.117 -0.585 19395 385 1 . 1 1 100 100 VAL N N 100 128.065 128.065 118.199 9.866 19395 386 1 . 1 1 100 100 VAL HA H 100 4.308 4.308 4.322 -0.014 19395 387 1 . 1 1 100 100 VAL CA C 100 61.631 61.631 59.655 1.976 19395 388 1 . 1 1 100 100 VAL CB C 100 34.384 34.384 33.138 1.246 19395 389 1 . 1 1 100 100 VAL H H 100 8.392 8.392 8.300 0.092 19395 390 1 . 1 1 101 101 ALA N N 101 130.346 130.346 130.524 -0.178 19395 391 1 . 1 1 101 101 ALA HA H 101 5.760 5.760 4.839 0.921 19395 392 1 . 1 1 101 101 ALA CA C 101 50.101 50.101 51.018 -0.917 19395 393 1 . 1 1 101 101 ALA CB C 101 21.118 21.118 19.336 1.782 19395 394 1 . 1 1 101 101 ALA H H 101 8.882 8.882 8.193 0.689 19395 395 1 . 1 1 102 102 VAL N N 102 120.866 120.866 118.341 2.525 19395 396 1 . 1 1 102 102 VAL HA H 102 5.623 5.623 4.608 1.015 19395 397 1 . 1 1 102 102 VAL CA C 102 58.795 58.795 60.068 -1.273 19395 398 1 . 1 1 102 102 VAL CB C 102 35.140 35.140 36.001 -0.861 19395 399 1 . 1 1 102 102 VAL H H 102 9.359 9.359 8.845 0.514 19395 400 1 . 1 1 103 103 HIS N N 103 120.019 120.019 123.200 -3.181 19395 401 1 . 1 1 103 103 HIS HA H 103 4.783 4.783 4.783 0.000 19395 402 1 . 1 1 103 103 HIS CA C 103 55.292 55.292 56.654 -1.362 19395 403 1 . 1 1 103 103 HIS CB C 103 33.032 33.032 30.785 2.247 19395 404 1 . 1 1 103 103 HIS H H 103 8.749 8.749 8.540 0.209 19395 405 1 . 1 1 104 104 CYS N N 104 118.175 118.175 123.295 -5.120 19395 406 1 . 1 1 104 104 CYS HA H 104 4.697 4.697 4.769 -0.072 19395 407 1 . 1 1 104 104 CYS CA C 104 56.265 56.265 57.222 -0.957 19395 408 1 . 1 1 104 104 CYS CB C 104 33.179 33.179 30.769 2.410 19395 409 1 . 1 1 104 104 CYS H H 104 8.428 8.428 8.247 0.181 19395 410 1 . 1 1 105 105 VAL N N 105 125.962 125.962 123.863 2.099 19395 411 1 . 1 1 105 105 VAL HA H 105 4.219 4.219 4.011 0.208 19395 412 1 . 1 1 105 105 VAL CA C 105 66.483 66.483 63.763 2.720 19395 413 1 . 1 1 105 105 VAL CB C 105 32.383 32.383 32.351 0.032 19395 414 1 . 1 1 105 105 VAL H H 105 8.422 8.422 8.410 0.012 19395 415 1 . 1 1 106 106 ALA N N 106 123.180 123.180 120.596 2.584 19395 416 1 . 1 1 106 106 ALA HA H 106 4.695 4.695 4.312 0.383 19395 417 1 . 1 1 106 106 ALA CA C 106 52.862 52.862 53.154 -0.292 19395 418 1 . 1 1 106 106 ALA CB C 106 20.123 20.123 19.220 0.903 19395 419 1 . 1 1 106 106 ALA H H 106 9.997 9.997 8.272 1.725 19395 420 1 . 1 1 107 107 GLY N N 107 109.076 109.076 106.121 2.955 19395 421 1 . 1 1 107 107 GLY CA C 107 46.619 46.619 44.799 1.820 19395 422 1 . 1 1 107 107 GLY H H 107 8.019 8.019 7.828 0.191 19395 423 1 . 1 1 108 108 LEU N N 108 117.413 117.413 123.022 -5.609 19395 424 1 . 1 1 108 108 LEU HA H 108 4.464 4.464 3.778 0.686 19395 425 1 . 1 1 108 108 LEU CA C 108 55.782 55.782 55.914 -0.132 19395 426 1 . 1 1 108 108 LEU CB C 108 45.820 45.820 41.483 4.337 19395 427 1 . 1 1 108 108 LEU H H 108 7.598 7.598 8.324 -0.726 19395 428 1 . 1 1 109 109 GLY N N 109 111.143 111.143 106.271 4.872 19395 429 1 . 1 1 109 109 GLY CA C 109 47.641 47.641 47.278 0.363 19395 430 1 . 1 1 109 109 GLY H H 109 10.576 10.576 8.584 1.992 19395 431 1 . 1 1 110 110 ARG N N 110 127.464 127.464 123.361 4.103 19395 432 1 . 1 1 110 110 ARG HA H 110 3.555 3.555 3.816 -0.261 19395 433 1 . 1 1 110 110 ARG CA C 110 60.426 60.426 58.986 1.440 19395 434 1 . 1 1 110 110 ARG CB C 110 32.183 32.183 29.283 2.900 19395 435 1 . 1 1 110 110 ARG H H 110 10.234 10.234 8.457 1.777 19395 436 1 . 1 1 112 112 PRO HA H 112 3.884 3.884 4.261 -0.377 19395 437 1 . 1 1 112 112 PRO CA C 112 66.532 66.532 65.487 1.045 19395 438 1 . 1 1 112 112 PRO CB C 112 30.909 30.909 31.535 -0.626 19395 439 1 . 1 1 113 113 VAL N N 113 116.720 116.720 119.658 -2.938 19395 440 1 . 1 1 113 113 VAL HA H 113 3.560 3.560 3.627 -0.067 19395 441 1 . 1 1 113 113 VAL CA C 113 66.730 66.730 66.812 -0.082 19395 442 1 . 1 1 113 113 VAL CB C 113 30.523 30.523 31.341 -0.818 19395 443 1 . 1 1 113 113 VAL H H 113 8.340 8.340 8.475 -0.135 19395 444 1 . 1 1 114 114 LEU N N 114 119.045 119.045 119.557 -0.512 19395 445 1 . 1 1 114 114 LEU HA H 114 3.658 3.658 4.199 -0.541 19395 446 1 . 1 1 114 114 LEU CA C 114 58.030 58.030 58.199 -0.170 19395 447 1 . 1 1 114 114 LEU CB C 114 38.799 38.799 41.072 -2.273 19395 448 1 . 1 1 114 114 LEU H H 114 6.990 6.990 8.421 -1.431 19395 449 1 . 1 1 115 115 VAL N N 115 120.270 120.270 116.383 3.888 19395 450 1 . 1 1 115 115 VAL HA H 115 3.043 3.043 3.463 -0.420 19395 451 1 . 1 1 115 115 VAL CA C 115 67.509 67.509 65.961 1.548 19395 452 1 . 1 1 115 115 VAL CB C 115 30.787 30.787 30.940 -0.153 19395 453 1 . 1 1 115 115 VAL H H 115 7.188 7.188 7.738 -0.550 19395 454 1 . 1 1 116 116 ALA N N 116 121.280 121.280 123.096 -1.816 19395 455 1 . 1 1 116 116 ALA HA H 116 3.761 3.761 4.061 -0.300 19395 456 1 . 1 1 116 116 ALA CA C 116 55.857 55.857 55.129 0.728 19395 457 1 . 1 1 116 116 ALA CB C 116 17.868 17.868 18.449 -0.581 19395 458 1 . 1 1 116 116 ALA H H 116 8.649 8.649 8.242 0.407 19395 459 1 . 1 1 117 117 LEU N N 117 116.557 116.557 120.374 -3.817 19395 460 1 . 1 1 117 117 LEU HA H 117 3.768 3.768 3.895 -0.127 19395 461 1 . 1 1 117 117 LEU CA C 117 58.360 58.360 57.799 0.561 19395 462 1 . 1 1 117 117 LEU CB C 117 43.067 43.067 40.822 2.245 19395 463 1 . 1 1 117 117 LEU H H 117 8.048 8.048 7.555 0.493 19395 464 1 . 1 1 118 118 ALA N N 118 119.916 119.916 120.031 -0.115 19395 465 1 . 1 1 118 118 ALA HA H 118 4.069 4.069 3.561 0.508 19395 466 1 . 1 1 118 118 ALA CA C 118 55.364 55.364 54.319 1.046 19395 467 1 . 1 1 118 118 ALA CB C 118 18.627 18.627 17.380 1.247 19395 468 1 . 1 1 118 118 ALA H H 118 7.691 7.691 6.744 0.947 19395 469 1 . 1 1 119 119 LEU N N 119 116.962 116.962 119.915 -2.953 19395 470 1 . 1 1 119 119 LEU HA H 119 3.875 3.875 4.058 -0.183 19395 471 1 . 1 1 119 119 LEU CA C 119 58.425 58.425 57.629 0.795 19395 472 1 . 1 1 119 119 LEU CB C 119 39.785 39.785 41.719 -1.934 19395 473 1 . 1 1 119 119 LEU H H 119 7.988 7.988 7.577 0.411 19395 474 1 . 1 1 120 120 ILE N N 120 123.209 123.209 119.403 3.806 19395 475 1 . 1 1 120 120 ILE HA H 120 4.749 4.749 3.959 0.790 19395 476 1 . 1 1 120 120 ILE CA C 120 64.104 64.104 64.051 0.053 19395 477 1 . 1 1 120 120 ILE CB C 120 39.242 39.242 37.646 1.596 19395 478 1 . 1 1 120 120 ILE H H 120 8.643 8.643 8.183 0.460 19395 479 1 . 1 1 121 121 GLU N N 121 121.219 121.219 118.644 2.575 19395 480 1 . 1 1 121 121 GLU HA H 121 4.508 4.508 4.005 0.503 19395 481 1 . 1 1 121 121 GLU CA C 121 59.139 59.139 59.023 0.116 19395 482 1 . 1 1 121 121 GLU CB C 121 29.233 29.233 28.954 0.279 19395 483 1 . 1 1 121 121 GLU H H 121 8.680 8.680 7.806 0.874 19395 484 1 . 1 1 122 122 SER N N 122 114.306 114.306 112.758 1.548 19395 485 1 . 1 1 122 122 SER HA H 122 4.783 4.783 4.285 0.498 19395 486 1 . 1 1 122 122 SER CA C 122 58.581 58.581 60.130 -1.549 19395 487 1 . 1 1 122 122 SER CB C 122 64.656 64.656 63.754 0.902 19395 488 1 . 1 1 122 122 SER H H 122 7.834 7.834 7.924 -0.090 19395 489 1 . 1 1 123 123 GLY N N 123 108.666 108.666 109.030 -0.364 19395 490 1 . 1 1 123 123 GLY CA C 123 45.080 45.080 44.567 0.513 19395 491 1 . 1 1 123 123 GLY H H 123 7.902 7.902 7.779 0.123 19395 492 1 . 1 1 124 124 MET N N 124 123.358 123.358 119.970 3.388 19395 493 1 . 1 1 124 124 MET HA H 124 4.258 4.258 4.666 -0.408 19395 494 1 . 1 1 124 124 MET CA C 124 56.698 56.698 53.418 3.280 19395 495 1 . 1 1 124 124 MET CB C 124 34.104 34.104 35.792 -1.688 19395 496 1 . 1 1 124 124 MET H H 124 7.970 7.970 7.467 0.503 19395 497 1 . 1 1 125 125 LYS N N 125 125.848 125.848 123.860 1.988 19395 498 1 . 1 1 125 125 LYS HA H 125 4.294 4.294 4.367 -0.073 19395 499 1 . 1 1 125 125 LYS CA C 125 56.909 56.909 56.214 0.695 19395 500 1 . 1 1 125 125 LYS CB C 125 32.737 32.737 32.264 0.473 19395 501 1 . 1 1 125 125 LYS H H 125 8.903 8.903 8.458 0.445 19395 502 1 . 1 1 126 126 TYR N N 126 124.016 124.016 127.674 -3.658 19395 503 1 . 1 1 126 126 TYR HA H 126 4.060 4.060 3.968 0.092 19395 504 1 . 1 1 126 126 TYR CA C 126 61.734 61.734 62.499 -0.765 19395 505 1 . 1 1 126 126 TYR CB C 126 37.942 37.942 37.899 0.043 19395 506 1 . 1 1 126 126 TYR H H 126 9.242 9.242 9.086 0.156 19395 507 1 . 1 1 127 127 GLU N N 127 119.702 119.702 118.057 1.645 19395 508 1 . 1 1 127 127 GLU HA H 127 3.393 3.393 3.253 0.140 19395 509 1 . 1 1 127 127 GLU CA C 127 60.215 60.215 59.707 0.508 19395 510 1 . 1 1 127 127 GLU CB C 127 28.985 28.985 28.617 0.368 19395 511 1 . 1 1 127 127 GLU H H 127 9.102 9.102 8.635 0.467 19395 512 1 . 1 1 128 128 ASP N N 128 118.661 118.661 119.317 -0.656 19395 513 1 . 1 1 128 128 ASP HA H 128 4.411 4.411 4.329 0.082 19395 514 1 . 1 1 128 128 ASP CA C 128 56.574 56.574 57.131 -0.557 19395 515 1 . 1 1 128 128 ASP CB C 128 40.106 40.106 40.412 -0.306 19395 516 1 . 1 1 128 128 ASP H H 128 6.782 6.782 8.126 -1.344 19395 517 1 . 1 1 129 129 ALA N N 129 125.068 125.068 122.360 2.708 19395 518 1 . 1 1 129 129 ALA HA H 129 4.227 4.227 4.003 0.224 19395 519 1 . 1 1 129 129 ALA CA C 129 55.412 55.412 55.244 0.168 19395 520 1 . 1 1 129 129 ALA CB C 129 18.312 18.312 18.429 -0.117 19395 521 1 . 1 1 129 129 ALA H H 129 8.365 8.365 8.344 0.021 19395 522 1 . 1 1 130 130 ILE N N 130 115.533 115.533 119.306 -3.773 19395 523 1 . 1 1 130 130 ILE HA H 130 3.491 3.491 3.623 -0.132 19395 524 1 . 1 1 130 130 ILE CA C 130 64.116 64.116 62.756 1.360 19395 525 1 . 1 1 130 130 ILE CB C 130 36.786 36.786 36.380 0.406 19395 526 1 . 1 1 130 130 ILE H H 130 8.044 8.044 8.238 -0.194 19395 527 1 . 1 1 131 131 GLN N N 131 118.503 118.503 118.067 0.436 19395 528 1 . 1 1 131 131 GLN HA H 131 4.016 4.016 3.964 0.052 19395 529 1 . 1 1 131 131 GLN CA C 131 58.791 58.791 58.730 0.061 19395 530 1 . 1 1 131 131 GLN CB C 131 28.439 28.439 28.156 0.283 19395 531 1 . 1 1 131 131 GLN H H 131 7.426 7.426 8.026 -0.600 19395 532 1 . 1 1 132 132 PHE N N 132 120.679 120.679 121.272 -0.593 19395 533 1 . 1 1 132 132 PHE HA H 132 4.323 4.323 4.244 0.079 19395 534 1 . 1 1 132 132 PHE CA C 132 60.175 60.175 60.380 -0.205 19395 535 1 . 1 1 132 132 PHE CB C 132 39.850 39.850 39.085 0.765 19395 536 1 . 1 1 132 132 PHE H H 132 8.416 8.416 7.766 0.650 19395 537 1 . 1 1 133 133 ILE N N 133 116.466 116.466 115.752 0.714 19395 538 1 . 1 1 133 133 ILE HA H 133 3.489 3.489 3.604 -0.115 19395 539 1 . 1 1 133 133 ILE CA C 133 63.997 63.997 64.075 -0.077 19395 540 1 . 1 1 133 133 ILE CB C 133 37.561 37.561 37.696 -0.135 19395 541 1 . 1 1 133 133 ILE H H 133 7.964 7.964 8.040 -0.075 19395 542 1 . 1 1 134 134 ARG N N 134 119.204 119.204 120.096 -0.892 19395 543 1 . 1 1 134 134 ARG HA H 134 4.322 4.322 4.259 0.063 19395 544 1 . 1 1 134 134 ARG CA C 134 59.160 59.160 58.423 0.737 19395 545 1 . 1 1 134 134 ARG CB C 134 30.212 30.212 30.963 -0.751 19395 546 1 . 1 1 134 134 ARG H H 134 8.449 8.449 8.358 0.091 19395 547 1 . 1 1 135 135 GLN N N 135 117.511 117.511 118.706 -1.194 19395 548 1 . 1 1 135 135 GLN HA H 135 4.037 4.037 4.155 -0.118 19395 549 1 . 1 1 135 135 GLN CA C 135 58.337 58.337 58.161 0.176 19395 550 1 . 1 1 135 135 GLN CB C 135 28.439 28.439 28.543 -0.104 19395 551 1 . 1 1 135 135 GLN H H 135 7.829 7.829 8.107 -0.278 19395 552 1 . 1 1 136 136 LYS N N 136 116.364 116.364 116.867 -0.503 19395 553 1 . 1 1 136 136 LYS HA H 136 4.294 4.294 4.138 0.156 19395 554 1 . 1 1 136 136 LYS CA C 136 56.209 56.209 57.050 -0.841 19395 555 1 . 1 1 136 136 LYS CB C 136 32.979 32.979 32.443 0.536 19395 556 1 . 1 1 136 136 LYS H H 136 7.280 7.280 7.758 -0.478 19395 557 1 . 1 1 139 139 GLY CA C 139 44.845 44.845 45.558 -0.713 19395 558 1 . 1 1 140 140 ALA N N 140 121.841 121.841 123.315 -1.474 19395 559 1 . 1 1 140 140 ALA HA H 140 4.356 4.356 4.178 0.178 19395 560 1 . 1 1 140 140 ALA CA C 140 53.327 53.327 53.886 -0.559 19395 561 1 . 1 1 140 140 ALA CB C 140 19.574 19.574 19.453 0.121 19395 562 1 . 1 1 140 140 ALA H H 140 7.553 7.553 7.969 -0.416 19395 563 1 . 1 1 141 141 ILE N N 141 113.228 113.228 116.405 -3.177 19395 564 1 . 1 1 141 141 ILE HA H 141 3.338 3.338 4.112 -0.774 19395 565 1 . 1 1 141 141 ILE CA C 141 65.889 65.889 60.389 5.500 19395 566 1 . 1 1 141 141 ILE CB C 141 34.188 34.188 38.560 -4.372 19395 567 1 . 1 1 141 141 ILE H H 141 8.744 8.744 8.138 0.606 19395 568 1 . 1 1 142 142 ASN N N 142 126.808 126.808 117.534 9.274 19395 569 1 . 1 1 142 142 ASN HA H 142 4.723 4.723 4.504 0.219 19395 570 1 . 1 1 142 142 ASN CA C 142 52.083 52.083 55.232 -3.149 19395 571 1 . 1 1 142 142 ASN CB C 142 37.930 37.930 38.793 -0.863 19395 572 1 . 1 1 142 142 ASN H H 142 8.538 8.538 8.120 0.418 19395 573 1 . 1 1 144 144 LYS HA H 144 4.167 4.167 3.969 0.198 19395 574 1 . 1 1 145 145 GLN N N 145 120.931 120.931 118.268 2.663 19395 575 1 . 1 1 145 145 GLN HA H 145 3.735 3.735 4.053 -0.318 19395 576 1 . 1 1 145 145 GLN CA C 145 58.835 58.835 58.394 0.441 19395 577 1 . 1 1 145 145 GLN CB C 145 27.803 27.803 27.904 -0.101 19395 578 1 . 1 1 145 145 GLN H H 145 8.737 8.737 8.210 0.527 19395 579 1 . 1 1 146 146 LEU N N 146 122.433 122.433 120.390 2.043 19395 580 1 . 1 1 146 146 LEU HA H 146 3.975 3.975 4.211 -0.236 19395 581 1 . 1 1 146 146 LEU CA C 146 59.013 59.013 58.614 0.399 19395 582 1 . 1 1 146 146 LEU CB C 146 41.796 41.796 41.955 -0.159 19395 583 1 . 1 1 146 146 LEU H H 146 8.917 8.917 8.109 0.809 19395 584 1 . 1 1 147 147 THR N N 147 115.378 115.378 112.895 2.483 19395 585 1 . 1 1 147 147 THR HA H 147 3.936 3.936 3.881 0.055 19395 586 1 . 1 1 147 147 THR CA C 147 66.512 66.512 65.955 0.557 19395 587 1 . 1 1 147 147 THR CB C 147 68.865 68.865 68.589 0.276 19395 588 1 . 1 1 147 147 THR H H 147 7.948 7.948 7.915 0.033 19395 589 1 . 1 1 148 148 TYR N N 148 120.402 120.402 123.676 -3.274 19395 590 1 . 1 1 148 148 TYR HA H 148 4.082 4.082 4.126 -0.044 19395 591 1 . 1 1 148 148 TYR CA C 148 61.195 61.195 61.407 -0.212 19395 592 1 . 1 1 148 148 TYR CB C 148 37.977 37.977 38.192 -0.215 19395 593 1 . 1 1 148 148 TYR H H 148 7.366 7.366 8.261 -0.895 19395 594 1 . 1 1 149 149 LEU N N 149 119.957 119.957 118.780 1.177 19395 595 1 . 1 1 149 149 LEU HA H 149 3.728 3.728 3.455 0.273 19395 596 1 . 1 1 149 149 LEU CA C 149 57.541 57.541 56.414 1.127 19395 597 1 . 1 1 149 149 LEU CB C 149 42.563 42.563 40.494 2.069 19395 598 1 . 1 1 149 149 LEU H H 149 7.968 7.968 7.534 0.434 19395 599 1 . 1 1 150 150 GLU N N 150 120.132 120.132 117.623 2.509 19395 600 1 . 1 1 150 150 GLU HA H 150 2.383 2.383 3.575 -1.192 19395 601 1 . 1 1 150 150 GLU CA C 150 58.462 58.462 58.615 -0.153 19395 602 1 . 1 1 150 150 GLU CB C 150 29.581 29.581 29.596 -0.015 19395 603 1 . 1 1 150 150 GLU H H 150 8.305 8.305 7.330 0.975 19395 604 1 . 1 1 151 151 LYS N N 151 114.600 114.600 115.867 -1.267 19395 605 1 . 1 1 151 151 LYS HA H 151 4.071 4.071 4.180 -0.109 19395 606 1 . 1 1 151 151 LYS CA C 151 55.632 55.632 56.706 -1.074 19395 607 1 . 1 1 151 151 LYS CB C 151 32.947 32.947 33.495 -0.548 19395 608 1 . 1 1 151 151 LYS H H 151 7.106 7.106 7.407 -0.301 19395 609 1 . 1 1 152 152 TYR N N 152 123.664 123.664 121.987 1.677 19395 610 1 . 1 1 152 152 TYR HA H 152 3.775 3.775 4.171 -0.396 19395 611 1 . 1 1 152 152 TYR CA C 152 59.659 59.659 58.704 0.955 19395 612 1 . 1 1 152 152 TYR CB C 152 38.245 38.245 38.896 -0.651 19395 613 1 . 1 1 152 152 TYR H H 152 7.187 7.187 7.557 -0.371 19395 614 1 . 1 1 153 153 ARG N N 153 130.321 130.321 125.566 4.755 19395 615 1 . 1 1 153 153 ARG HA H 153 4.765 4.765 4.519 0.246 19395 616 1 . 1 1 153 153 ARG CA C 153 51.513 51.513 51.942 -0.429 19395 617 1 . 1 1 153 153 ARG CB C 153 30.180 30.180 31.492 -1.312 19395 618 1 . 1 1 153 153 ARG H H 153 7.760 7.760 7.820 -0.060 19395 619 1 . 1 1 154 154 PRO HA H 154 4.640 4.640 4.679 -0.039 19395 620 1 . 1 1 154 154 PRO CA C 154 62.055 62.055 62.631 -0.576 19395 621 1 . 1 1 154 154 PRO CB C 154 33.603 33.603 32.308 1.295 19395 622 1 . 1 1 155 155 LYS N N 155 122.066 122.066 122.628 -0.562 19395 623 1 . 1 1 155 155 LYS HA H 155 4.438 4.438 4.138 0.300 19395 624 1 . 1 1 155 155 LYS CA C 155 55.923 55.923 56.564 -0.641 19395 625 1 . 1 1 155 155 LYS CB C 155 33.443 33.443 32.291 1.152 19395 626 1 . 1 1 155 155 LYS H H 155 9.586 9.586 8.463 1.123 19395 627 1 . 1 1 156 156 GLN N N 156 117.702 117.702 115.524 2.178 19395 628 1 . 1 1 156 156 GLN HA H 156 4.366 4.366 4.098 0.268 19395 629 1 . 1 1 156 156 GLN CA C 156 56.549 56.549 56.882 -0.333 19395 630 1 . 1 1 156 156 GLN CB C 156 26.728 26.728 26.459 0.269 19395 631 1 . 1 1 156 156 GLN H H 156 8.334 8.334 8.129 0.205 19395 632 1 . 1 1 157 157 ARG N N 157 117.466 117.466 119.587 -2.121 19395 633 1 . 1 1 157 157 ARG HA H 157 4.155 4.155 4.318 -0.163 19395 634 1 . 1 1 157 157 ARG CA C 157 58.022 58.022 57.789 0.233 19395 635 1 . 1 1 157 157 ARG CB C 157 30.769 30.769 31.037 -0.268 19395 636 1 . 1 1 157 157 ARG H H 157 8.983 8.983 8.413 0.570 19395 637 1 . 1 1 158 158 LEU N N 158 117.973 117.973 118.609 -0.636 19395 638 1 . 1 1 158 158 LEU HA H 158 4.629 4.629 4.346 0.283 19395 639 1 . 1 1 158 158 LEU CA C 158 53.469 53.469 56.103 -2.634 19395 640 1 . 1 1 158 158 LEU CB C 158 41.505 41.505 42.285 -0.780 19395 641 1 . 1 1 158 158 LEU H H 158 8.123 8.123 7.898 0.225 19395 642 1 . 1 1 161 161 LYS HA H 161 4.113 4.113 4.323 -0.210 19395 643 1 . 1 1 161 161 LYS CA C 161 56.487 56.487 54.833 1.654 19395 644 1 . 1 1 161 161 LYS CB C 161 33.174 33.174 34.439 -1.265 19395 645 1 . 1 1 161 161 LYS H H 161 7.856 7.856 8.103 -0.247 19395 stop_ save_