data_18716 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18716 _Entry.PDB_ID 2LYB 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 18716 _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 3 3 ALA N N 3 123.842 123.842 125.389 -1.547 18716 2 1 1 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.490 -0.162 18716 3 1 1 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.146 0.391 18716 4 1 1 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.661 -2.410 18716 5 1 1 . 1 1 3 3 ALA H H 3 8.183 8.183 8.427 -0.244 18716 6 1 1 . 1 1 4 4 ARG N N 4 120.165 120.165 119.411 0.754 18716 7 1 1 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.584 -0.328 18716 8 1 1 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.692 0.273 18716 9 1 1 . 1 1 4 4 ARG CB C 4 30.961 30.961 29.739 1.222 18716 10 1 1 . 1 1 4 4 ARG H H 4 8.429 8.429 8.166 0.263 18716 11 1 1 . 1 1 5 5 ALA N N 5 125.165 125.165 128.203 -3.038 18716 12 1 1 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.233 0.049 18716 13 1 1 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.248 0.123 18716 14 1 1 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.557 0.115 18716 15 1 1 . 1 1 5 5 ALA H H 5 8.370 8.370 8.383 -0.013 18716 16 1 1 . 1 1 6 6 SER N N 6 114.540 114.540 116.020 -1.480 18716 17 1 1 . 1 1 6 6 SER HA H 6 4.479 4.479 4.503 -0.024 18716 18 1 1 . 1 1 6 6 SER CA C 6 57.804 57.804 58.502 -0.698 18716 19 1 1 . 1 1 6 6 SER CB C 6 64.034 64.034 64.175 -0.142 18716 20 1 1 . 1 1 6 6 SER H H 6 8.134 8.134 8.510 -0.376 18716 21 1 1 . 1 1 7 7 VAL N N 7 121.415 121.415 123.612 -2.197 18716 22 1 1 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.013 -0.396 18716 23 1 1 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.488 2.223 18716 24 1 1 . 1 1 7 7 VAL CB C 7 31.936 31.936 31.921 0.015 18716 25 1 1 . 1 1 7 7 VAL H H 7 8.119 8.119 8.127 -0.008 18716 26 1 1 . 1 1 8 8 LEU N N 8 115.478 115.478 118.032 -2.554 18716 27 1 1 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.765 0.149 18716 28 1 1 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.139 -0.664 18716 29 1 1 . 1 1 8 8 LEU CB C 8 44.314 44.314 42.943 1.371 18716 30 1 1 . 1 1 8 8 LEU H H 8 7.382 7.382 7.560 -0.178 18716 31 1 1 . 1 1 9 9 SER N N 9 118.290 118.290 119.197 -0.907 18716 32 1 1 . 1 1 9 9 SER HA H 9 4.606 4.606 4.468 0.138 18716 33 1 1 . 1 1 9 9 SER CA C 9 57.197 57.197 57.638 -0.441 18716 34 1 1 . 1 1 9 9 SER CB C 9 65.426 65.426 65.011 0.415 18716 35 1 1 . 1 1 9 9 SER H H 9 9.166 9.166 8.813 0.353 18716 36 1 1 . 1 1 10 10 GLY N N 10 109.228 109.228 108.647 0.581 18716 37 1 1 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.042 0.632 18716 38 1 1 . 1 1 10 10 GLY H H 10 8.959 8.959 8.663 0.296 18716 39 1 1 . 1 1 11 11 GLY N N 11 111.102 111.102 109.752 1.350 18716 40 1 1 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.488 0.173 18716 41 1 1 . 1 1 11 11 GLY H H 11 8.782 8.782 7.790 0.992 18716 42 1 1 . 1 1 12 12 GLU N N 12 120.165 120.165 122.078 -1.913 18716 43 1 1 . 1 1 12 12 GLU HA H 12 3.950 3.950 3.982 -0.032 18716 44 1 1 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.837 0.259 18716 45 1 1 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.447 1.843 18716 46 1 1 . 1 1 12 12 GLU H H 12 7.751 7.751 7.585 0.166 18716 47 1 1 . 1 1 13 13 LEU N N 13 121.415 121.415 121.776 -0.361 18716 48 1 1 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.045 0.063 18716 49 1 1 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.372 -0.310 18716 50 1 1 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.803 -0.867 18716 51 1 1 . 1 1 13 13 LEU H H 13 8.340 8.340 8.382 -0.042 18716 52 1 1 . 1 1 14 14 ASP N N 14 116.415 116.415 119.688 -3.273 18716 53 1 1 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.340 0.053 18716 54 1 1 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.638 -0.502 18716 55 1 1 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.227 0.859 18716 56 1 1 . 1 1 14 14 ASP H H 14 7.574 7.574 7.859 -0.285 18716 57 1 1 . 1 1 15 15 LYS N N 15 115.478 115.478 120.322 -4.844 18716 58 1 1 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.093 -0.047 18716 59 1 1 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.431 -1.029 18716 60 1 1 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.541 -0.182 18716 61 1 1 . 1 1 15 15 LYS H H 15 7.117 7.117 7.649 -0.532 18716 62 1 1 . 1 1 16 16 TRP N N 16 121.693 121.693 121.253 0.440 18716 63 1 1 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.153 -0.128 18716 64 1 1 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.585 -0.299 18716 65 1 1 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.600 1.513 18716 66 1 1 . 1 1 16 16 TRP H H 16 8.646 8.646 8.249 0.397 18716 67 1 1 . 1 1 17 17 GLU N N 17 127.710 127.710 116.678 11.032 18716 68 1 1 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.348 0.343 18716 69 1 1 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.801 -2.032 18716 70 1 1 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.497 0.248 18716 71 1 1 . 1 1 17 17 GLU H H 17 7.571 7.571 8.166 -0.595 18716 72 1 1 . 1 1 18 18 LYS N N 18 115.790 115.790 118.637 -2.847 18716 73 1 1 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.180 0.317 18716 74 1 1 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.936 -2.367 18716 75 1 1 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.093 0.846 18716 76 1 1 . 1 1 18 18 LYS H H 18 7.456 7.456 7.240 0.216 18716 77 1 1 . 1 1 19 19 ILE N N 19 124.228 124.228 119.177 5.051 18716 78 1 1 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.007 -0.450 18716 79 1 1 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.593 -0.473 18716 80 1 1 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.772 0.410 18716 81 1 1 . 1 1 19 19 ILE H H 19 7.633 7.633 8.003 -0.370 18716 82 1 1 . 1 1 20 20 ARG N N 20 125.790 125.790 123.933 1.857 18716 83 1 1 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.440 -0.012 18716 84 1 1 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.904 1.591 18716 85 1 1 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.945 -0.408 18716 86 1 1 . 1 1 20 20 ARG H H 20 8.031 8.031 8.125 -0.094 18716 87 1 1 . 1 1 21 21 LEU N N 21 120.165 120.165 119.377 0.788 18716 88 1 1 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.845 -0.414 18716 89 1 1 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.607 1.628 18716 90 1 1 . 1 1 21 21 LEU CB C 21 41.554 41.554 41.971 -0.417 18716 91 1 1 . 1 1 21 21 LEU H H 21 7.810 7.810 8.020 -0.210 18716 92 1 1 . 1 1 22 22 ARG N N 22 119.540 119.540 113.837 5.703 18716 93 1 1 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.675 0.170 18716 94 1 1 . 1 1 22 22 ARG CA C 22 52.844 52.844 52.922 -0.078 18716 95 1 1 . 1 1 22 22 ARG CB C 22 31.617 31.617 29.738 1.879 18716 96 1 1 . 1 1 22 22 ARG H H 22 8.974 8.974 7.348 1.626 18716 97 1 1 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.340 0.020 18716 98 1 1 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.529 -1.093 18716 99 1 1 . 1 1 23 23 PRO CB C 23 31.565 31.565 31.821 -0.256 18716 100 1 1 . 1 1 24 24 GLY N N 24 112.665 112.665 108.251 4.414 18716 101 1 1 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.180 1.625 18716 102 1 1 . 1 1 24 24 GLY H H 24 9.138 9.138 8.187 0.951 18716 103 1 1 . 1 1 25 25 GLY N N 25 107.978 107.978 107.172 0.806 18716 104 1 1 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.574 -0.002 18716 105 1 1 . 1 1 25 25 GLY H H 25 8.134 8.134 7.348 0.786 18716 106 1 1 . 1 1 26 26 LYS N N 26 117.665 117.665 119.711 -2.046 18716 107 1 1 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.495 -0.231 18716 108 1 1 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.154 0.699 18716 109 1 1 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.786 1.270 18716 110 1 1 . 1 1 26 26 LYS H H 26 8.665 8.665 8.297 0.368 18716 111 1 1 . 1 1 27 27 LYS N N 27 117.925 117.925 119.639 -1.714 18716 112 1 1 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.520 -0.209 18716 113 1 1 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.659 1.552 18716 114 1 1 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.262 -0.384 18716 115 1 1 . 1 1 27 27 LYS H H 27 7.817 7.817 7.829 -0.012 18716 116 1 1 . 1 1 28 28 GLN N N 28 122.978 122.978 121.745 1.233 18716 117 1 1 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.344 0.472 18716 118 1 1 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.175 -0.702 18716 119 1 1 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.399 3.655 18716 120 1 1 . 1 1 28 28 GLN H H 28 8.458 8.458 8.363 0.095 18716 121 1 1 . 1 1 29 29 TYR N N 29 119.540 119.540 118.789 0.751 18716 122 1 1 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.429 -0.697 18716 123 1 1 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.977 1.034 18716 124 1 1 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.338 -2.122 18716 125 1 1 . 1 1 29 29 TYR H H 29 7.824 7.824 8.341 -0.517 18716 126 1 1 . 1 1 30 30 LYS N N 30 117.978 117.978 119.917 -1.939 18716 127 1 1 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.874 0.342 18716 128 1 1 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.633 -0.568 18716 129 1 1 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.212 2.376 18716 130 1 1 . 1 1 30 30 LYS H H 30 10.610 10.610 9.191 1.419 18716 131 1 1 . 1 1 31 31 LEU N N 31 128.602 128.602 123.890 4.712 18716 132 1 1 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.105 0.076 18716 133 1 1 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.587 0.647 18716 134 1 1 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.728 -0.726 18716 135 1 1 . 1 1 31 31 LEU H H 31 9.991 9.991 9.031 0.960 18716 136 1 1 . 1 1 32 32 LYS N N 32 115.165 115.165 118.639 -3.474 18716 137 1 1 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.938 0.207 18716 138 1 1 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.378 -0.281 18716 139 1 1 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.805 -0.246 18716 140 1 1 . 1 1 32 32 LYS H H 32 8.399 8.399 8.631 -0.232 18716 141 1 1 . 1 1 33 33 HIS N N 33 119.540 119.540 116.768 2.772 18716 142 1 1 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.737 -0.133 18716 143 1 1 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.439 3.452 18716 144 1 1 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.455 2.329 18716 145 1 1 . 1 1 33 33 HIS H H 33 8.193 8.193 8.011 0.182 18716 146 1 1 . 1 1 34 34 ILE N N 34 119.540 119.540 119.978 -0.438 18716 147 1 1 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.774 0.020 18716 148 1 1 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.863 -1.015 18716 149 1 1 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.617 -0.638 18716 150 1 1 . 1 1 34 34 ILE H H 34 7.898 7.898 7.531 0.367 18716 151 1 1 . 1 1 35 35 VAL N N 35 122.040 122.040 118.392 3.648 18716 152 1 1 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.839 -0.227 18716 153 1 1 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.363 0.383 18716 154 1 1 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.523 0.619 18716 155 1 1 . 1 1 35 35 VAL H H 35 7.706 7.706 8.393 -0.687 18716 156 1 1 . 1 1 36 36 TRP N N 36 119.986 119.986 122.753 -2.767 18716 157 1 1 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.207 0.026 18716 158 1 1 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.298 -0.188 18716 159 1 1 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.221 -0.809 18716 160 1 1 . 1 1 36 36 TRP H H 36 8.452 8.452 7.971 0.481 18716 161 1 1 . 1 1 37 37 ALA N N 37 120.478 120.478 119.203 1.275 18716 162 1 1 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.580 -0.188 18716 163 1 1 . 1 1 37 37 ALA CA C 37 55.137 55.137 54.861 0.277 18716 164 1 1 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.242 -0.812 18716 165 1 1 . 1 1 37 37 ALA H H 37 8.311 8.311 8.388 -0.077 18716 166 1 1 . 1 1 38 38 SER N N 38 111.415 111.415 113.730 -2.315 18716 167 1 1 . 1 1 38 38 SER HA H 38 3.906 3.906 4.090 -0.184 18716 168 1 1 . 1 1 38 38 SER CA C 38 62.801 62.801 62.201 0.600 18716 169 1 1 . 1 1 38 38 SER CB C 38 62.829 62.829 63.161 -0.332 18716 170 1 1 . 1 1 38 38 SER H H 38 8.259 8.259 7.772 0.487 18716 171 1 1 . 1 1 39 39 ARG N N 39 119.852 119.852 121.109 -1.257 18716 172 1 1 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.014 0.132 18716 173 1 1 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.153 -0.743 18716 174 1 1 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.167 -0.159 18716 175 1 1 . 1 1 39 39 ARG H H 39 7.559 7.559 7.461 0.098 18716 176 1 1 . 1 1 40 40 GLU N N 40 121.102 121.102 119.602 1.500 18716 177 1 1 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.877 -0.090 18716 178 1 1 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.562 -0.281 18716 179 1 1 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.883 0.791 18716 180 1 1 . 1 1 40 40 GLU H H 40 8.222 8.222 7.514 0.708 18716 181 1 1 . 1 1 41 41 LEU N N 41 117.040 117.040 120.157 -3.117 18716 182 1 1 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.126 -0.166 18716 183 1 1 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.809 0.488 18716 184 1 1 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.045 -1.865 18716 185 1 1 . 1 1 41 41 LEU H H 41 8.016 8.016 7.698 0.318 18716 186 1 1 . 1 1 42 42 GLU N N 42 117.352 117.352 118.686 -1.334 18716 187 1 1 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.035 0.092 18716 188 1 1 . 1 1 42 42 GLU CA C 42 59.571 59.571 58.654 0.917 18716 189 1 1 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.043 0.622 18716 190 1 1 . 1 1 42 42 GLU H H 42 7.559 7.559 7.722 -0.163 18716 191 1 1 . 1 1 43 43 ARG N N 43 119.540 119.540 118.975 0.565 18716 192 1 1 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.004 0.023 18716 193 1 1 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.112 0.489 18716 194 1 1 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.049 -0.384 18716 195 1 1 . 1 1 43 43 ARG H H 43 7.647 7.647 7.221 0.426 18716 196 1 1 . 1 1 44 44 PHE N N 44 117.665 117.665 118.292 -0.627 18716 197 1 1 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.626 -0.010 18716 198 1 1 . 1 1 44 44 PHE CA C 44 57.425 57.425 57.094 0.331 18716 199 1 1 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.181 0.973 18716 200 1 1 . 1 1 44 44 PHE H H 44 7.529 7.529 7.661 -0.132 18716 201 1 1 . 1 1 45 45 ALA N N 45 118.915 118.915 119.609 -0.694 18716 202 1 1 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.960 0.055 18716 203 1 1 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.223 0.191 18716 204 1 1 . 1 1 45 45 ALA CB C 45 16.281 16.281 17.127 -0.846 18716 205 1 1 . 1 1 45 45 ALA H H 45 7.928 7.928 7.708 0.220 18716 206 1 1 . 1 1 46 46 VAL N N 46 119.540 119.540 119.425 0.115 18716 207 1 1 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.209 -0.114 18716 208 1 1 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.194 0.595 18716 209 1 1 . 1 1 46 46 VAL CB C 46 33.420 33.420 32.734 0.686 18716 210 1 1 . 1 1 46 46 VAL H H 46 7.765 7.765 7.623 0.142 18716 211 1 1 . 1 1 47 47 ASN N N 47 125.790 125.790 127.297 -1.507 18716 212 1 1 . 1 1 47 47 ASN HA H 47 4.646 4.646 5.034 -0.388 18716 213 1 1 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.718 -1.721 18716 214 1 1 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.377 0.709 18716 215 1 1 . 1 1 47 47 ASN H H 47 8.399 8.399 8.764 -0.365 18716 216 1 1 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.367 -0.145 18716 217 1 1 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.234 0.081 18716 218 1 1 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.764 -0.024 18716 219 1 1 . 1 1 49 49 GLY N N 49 108.290 108.290 107.788 0.502 18716 220 1 1 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.176 0.354 18716 221 1 1 . 1 1 49 49 GLY H H 49 8.620 8.620 8.591 0.029 18716 222 1 1 . 1 1 50 50 LEU N N 50 121.728 121.728 121.680 0.048 18716 223 1 1 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.152 -0.015 18716 224 1 1 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.135 1.165 18716 225 1 1 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.779 -0.216 18716 226 1 1 . 1 1 50 50 LEU H H 50 7.765 7.765 7.521 0.243 18716 227 1 1 . 1 1 51 51 LEU N N 51 112.040 112.040 118.433 -6.393 18716 228 1 1 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.174 0.052 18716 229 1 1 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.034 -0.527 18716 230 1 1 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.930 0.560 18716 231 1 1 . 1 1 51 51 LEU H H 51 7.412 7.412 7.773 -0.361 18716 232 1 1 . 1 1 52 52 GLU N N 52 114.540 114.540 114.060 0.480 18716 233 1 1 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.445 -0.390 18716 234 1 1 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.149 3.235 18716 235 1 1 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.415 1.643 18716 236 1 1 . 1 1 52 52 GLU H H 52 7.500 7.500 7.539 -0.039 18716 237 1 1 . 1 1 53 53 THR N N 53 122.978 122.978 110.728 12.250 18716 238 1 1 . 1 1 53 53 THR HA H 53 4.402 4.402 4.567 -0.165 18716 239 1 1 . 1 1 53 53 THR CA C 53 58.306 58.306 60.090 -1.784 18716 240 1 1 . 1 1 53 53 THR CB C 53 73.222 73.222 71.644 1.578 18716 241 1 1 . 1 1 53 53 THR H H 53 7.235 7.235 7.562 -0.327 18716 242 1 1 . 1 1 54 54 SER N N 54 119.228 119.228 121.509 -2.281 18716 243 1 1 . 1 1 54 54 SER HA H 54 4.043 4.043 4.300 -0.257 18716 244 1 1 . 1 1 54 54 SER CA C 54 62.657 62.657 61.510 1.147 18716 245 1 1 . 1 1 54 54 SER CB C 54 62.562 62.562 62.872 -0.310 18716 246 1 1 . 1 1 54 54 SER H H 54 9.313 9.313 8.838 0.475 18716 247 1 1 . 1 1 55 55 GLU N N 55 121.233 121.233 120.118 1.115 18716 248 1 1 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.286 -0.217 18716 249 1 1 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.605 1.070 18716 250 1 1 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.633 -0.634 18716 251 1 1 . 1 1 55 55 GLU H H 55 8.975 8.975 8.470 0.505 18716 252 1 1 . 1 1 56 56 GLY N N 56 110.790 110.790 109.074 1.716 18716 253 1 1 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.300 0.566 18716 254 1 1 . 1 1 56 56 GLY H H 56 8.517 8.517 8.322 0.195 18716 255 1 1 . 1 1 57 57 CYS N N 57 118.602 118.602 119.420 -0.818 18716 256 1 1 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.153 -0.129 18716 257 1 1 . 1 1 57 57 CYS CA C 57 64.602 64.602 62.816 1.786 18716 258 1 1 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.336 20.459 18716 259 1 1 . 1 1 57 57 CYS H H 57 8.134 8.134 8.394 -0.260 18716 260 1 1 . 1 1 58 58 ARG N N 58 119.540 119.540 119.307 0.233 18716 261 1 1 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.334 0.216 18716 262 1 1 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.045 0.662 18716 263 1 1 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.899 -0.450 18716 264 1 1 . 1 1 58 58 ARG H H 58 8.488 8.488 7.466 1.022 18716 265 1 1 . 1 1 59 59 GLN N N 59 119.852 119.852 119.211 0.641 18716 266 1 1 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.009 0.043 18716 267 1 1 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.931 0.469 18716 268 1 1 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.725 -0.491 18716 269 1 1 . 1 1 59 59 GLN H H 59 8.016 8.016 7.508 0.508 18716 270 1 1 . 1 1 60 60 ILE N N 60 120.790 120.790 119.713 1.077 18716 271 1 1 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.702 -0.090 18716 272 1 1 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.457 0.195 18716 273 1 1 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.795 0.055 18716 274 1 1 . 1 1 60 60 ILE H H 60 8.163 8.163 8.204 -0.041 18716 275 1 1 . 1 1 61 61 LEU N N 61 118.915 118.915 117.755 1.160 18716 276 1 1 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.128 -0.233 18716 277 1 1 . 1 1 61 61 LEU CA C 61 58.654 58.654 56.851 1.803 18716 278 1 1 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.096 -0.320 18716 279 1 1 . 1 1 61 61 LEU H H 61 8.370 8.370 7.446 0.924 18716 280 1 1 . 1 1 62 62 GLY N N 62 104.332 104.332 107.364 -3.032 18716 281 1 1 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.648 0.536 18716 282 1 1 . 1 1 62 62 GLY H H 62 7.883 7.883 7.778 0.105 18716 283 1 1 . 1 1 63 63 GLN N N 63 119.852 119.852 119.021 0.831 18716 284 1 1 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.172 -0.024 18716 285 1 1 . 1 1 63 63 GLN CA C 63 57.873 57.873 58.012 -0.139 18716 286 1 1 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.225 -0.110 18716 287 1 1 . 1 1 63 63 GLN H H 63 7.795 7.795 7.584 0.211 18716 288 1 1 . 1 1 64 64 LEU N N 64 117.040 117.040 119.923 -2.883 18716 289 1 1 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.022 0.236 18716 290 1 1 . 1 1 64 64 LEU CA C 64 56.183 56.183 57.125 -0.942 18716 291 1 1 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.807 2.391 18716 292 1 1 . 1 1 64 64 LEU H H 64 8.252 8.252 7.607 0.645 18716 293 1 1 . 1 1 65 65 GLN N N 65 118.915 118.915 119.603 -0.688 18716 294 1 1 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.816 -0.037 18716 295 1 1 . 1 1 65 65 GLN CA C 65 61.547 61.547 61.003 0.544 18716 296 1 1 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.613 -0.749 18716 297 1 1 . 1 1 65 65 GLN H H 65 8.104 8.104 8.163 -0.059 18716 298 1 1 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.310 0.073 18716 299 1 1 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.802 1.115 18716 300 1 1 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.067 0.032 18716 301 1 1 . 1 1 67 67 SER N N 67 111.415 111.415 114.535 -3.120 18716 302 1 1 . 1 1 67 67 SER HA H 67 4.493 4.493 4.331 0.162 18716 303 1 1 . 1 1 67 67 SER CA C 67 59.696 59.696 60.230 -0.534 18716 304 1 1 . 1 1 67 67 SER CB C 67 64.031 64.031 63.092 0.939 18716 305 1 1 . 1 1 67 67 SER H H 67 7.824 7.824 7.515 0.309 18716 306 1 1 . 1 1 68 68 LEU N N 68 121.102 121.102 122.037 -0.935 18716 307 1 1 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.838 -0.022 18716 308 1 1 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.770 0.178 18716 309 1 1 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.441 0.328 18716 310 1 1 . 1 1 68 68 LEU H H 68 7.647 7.647 7.987 -0.340 18716 311 1 1 . 1 1 69 69 GLN N N 69 116.415 116.415 118.719 -2.304 18716 312 1 1 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.050 0.019 18716 313 1 1 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.142 0.328 18716 314 1 1 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.856 -0.428 18716 315 1 1 . 1 1 69 69 GLN H H 69 8.060 8.060 8.243 -0.183 18716 316 1 1 . 1 1 70 70 THR N N 70 106.728 106.728 112.912 -6.184 18716 317 1 1 . 1 1 70 70 THR HA H 70 4.481 4.481 4.472 0.009 18716 318 1 1 . 1 1 70 70 THR CA C 70 61.291 61.291 61.183 0.108 18716 319 1 1 . 1 1 70 70 THR CB C 70 69.415 69.415 68.996 0.419 18716 320 1 1 . 1 1 70 70 THR H H 70 7.515 7.515 7.606 -0.091 18716 321 1 1 . 1 1 71 71 GLY N N 71 109.540 109.540 109.584 -0.044 18716 322 1 1 . 1 1 71 71 GLY CA C 71 45.553 45.553 43.768 1.785 18716 323 1 1 . 1 1 71 71 GLY H H 71 7.692 7.692 7.484 0.208 18716 324 1 1 . 1 1 72 72 SER N N 72 114.540 114.540 115.958 -1.418 18716 325 1 1 . 1 1 72 72 SER HA H 72 4.625 4.625 4.689 -0.064 18716 326 1 1 . 1 1 72 72 SER CA C 72 57.319 57.319 56.848 0.471 18716 327 1 1 . 1 1 72 72 SER CB C 72 64.599 64.599 65.097 -0.499 18716 328 1 1 . 1 1 72 72 SER H H 72 8.045 8.045 8.150 -0.105 18716 329 1 1 . 1 1 73 73 GLU N N 73 124.228 124.228 120.828 3.400 18716 330 1 1 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.021 0.066 18716 331 1 1 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.680 -0.300 18716 332 1 1 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.595 -0.293 18716 333 1 1 . 1 1 73 73 GLU H H 73 9.092 9.092 8.914 0.178 18716 334 1 1 . 1 1 74 74 GLU N N 74 120.165 120.165 119.079 1.086 18716 335 1 1 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.343 -0.085 18716 336 1 1 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.575 0.731 18716 337 1 1 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.759 -0.297 18716 338 1 1 . 1 1 74 74 GLU H H 74 8.665 8.665 7.785 0.880 18716 339 1 1 . 1 1 75 75 LEU N N 75 121.415 121.415 120.089 1.326 18716 340 1 1 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.065 0.118 18716 341 1 1 . 1 1 75 75 LEU CA C 75 57.932 57.932 57.761 0.170 18716 342 1 1 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.033 -0.855 18716 343 1 1 . 1 1 75 75 LEU H H 75 7.765 7.765 7.934 -0.169 18716 344 1 1 . 1 1 76 76 ARG N N 76 119.228 119.228 119.752 -0.524 18716 345 1 1 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.018 -0.085 18716 346 1 1 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.038 -0.356 18716 347 1 1 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.083 -0.886 18716 348 1 1 . 1 1 76 76 ARG H H 76 7.868 7.868 8.086 -0.218 18716 349 1 1 . 1 1 77 77 SER N N 77 114.228 114.228 115.853 -1.625 18716 350 1 1 . 1 1 77 77 SER HA H 77 4.263 4.263 4.195 0.068 18716 351 1 1 . 1 1 77 77 SER CA C 77 62.668 62.668 62.595 0.073 18716 352 1 1 . 1 1 77 77 SER CB C 77 62.849 62.849 62.934 -0.085 18716 353 1 1 . 1 1 77 77 SER H H 77 8.576 8.576 7.974 0.602 18716 354 1 1 . 1 1 78 78 LEU N N 78 125.790 125.790 124.003 1.787 18716 355 1 1 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.306 0.115 18716 356 1 1 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.480 0.482 18716 357 1 1 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.913 0.005 18716 358 1 1 . 1 1 78 78 LEU H H 78 8.458 8.458 7.856 0.602 18716 359 1 1 . 1 1 79 79 TYR N N 79 119.852 119.852 119.680 0.172 18716 360 1 1 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.038 -0.377 18716 361 1 1 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.628 1.174 18716 362 1 1 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.459 0.735 18716 363 1 1 . 1 1 79 79 TYR H H 79 8.694 8.694 8.539 0.155 18716 364 1 1 . 1 1 80 80 ASN N N 80 117.040 117.040 117.235 -0.195 18716 365 1 1 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.522 -0.238 18716 366 1 1 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.166 -0.379 18716 367 1 1 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.059 -0.220 18716 368 1 1 . 1 1 80 80 ASN H H 80 8.871 8.871 8.569 0.302 18716 369 1 1 . 1 1 81 81 THR N N 81 115.790 115.790 119.055 -3.265 18716 370 1 1 . 1 1 81 81 THR HA H 81 3.945 3.945 4.335 -0.390 18716 371 1 1 . 1 1 81 81 THR CA C 81 67.855 67.855 67.228 0.627 18716 372 1 1 . 1 1 81 81 THR CB C 81 69.140 69.140 69.226 -0.086 18716 373 1 1 . 1 1 81 81 THR H H 81 8.119 8.119 8.085 0.034 18716 374 1 1 . 1 1 82 82 ILE N N 82 121.102 121.102 121.039 0.063 18716 375 1 1 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.774 -0.106 18716 376 1 1 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.631 -1.111 18716 377 1 1 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.452 -0.966 18716 378 1 1 . 1 1 82 82 ILE H H 82 8.090 8.090 8.680 -0.590 18716 379 1 1 . 1 1 83 83 ALA N N 83 125.165 125.165 121.797 3.368 18716 380 1 1 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.943 -0.052 18716 381 1 1 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.244 0.611 18716 382 1 1 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.959 -0.117 18716 383 1 1 . 1 1 83 83 ALA H H 83 8.782 8.782 7.508 1.274 18716 384 1 1 . 1 1 84 84 VAL N N 84 117.665 117.665 119.643 -1.978 18716 385 1 1 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.659 -0.331 18716 386 1 1 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.007 1.458 18716 387 1 1 . 1 1 84 84 VAL CB C 84 30.695 30.695 30.990 -0.295 18716 388 1 1 . 1 1 84 84 VAL H H 84 7.795 7.795 7.485 0.310 18716 389 1 1 . 1 1 85 85 LEU N N 85 122.040 122.040 120.507 1.533 18716 390 1 1 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.956 -0.141 18716 391 1 1 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.031 0.280 18716 392 1 1 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.522 0.626 18716 393 1 1 . 1 1 85 85 LEU H H 85 8.163 8.163 8.093 0.070 18716 394 1 1 . 1 1 86 86 TYR N N 86 118.915 118.915 120.494 -1.579 18716 395 1 1 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.092 -0.180 18716 396 1 1 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.297 1.521 18716 397 1 1 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.873 0.414 18716 398 1 1 . 1 1 86 86 TYR H H 86 9.062 9.062 7.909 1.153 18716 399 1 1 . 1 1 87 87 CYS N N 87 116.102 116.102 116.761 -0.659 18716 400 1 1 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.651 0.143 18716 401 1 1 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.895 2.071 18716 402 1 1 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.486 20.071 18716 403 1 1 . 1 1 87 87 CYS H H 87 7.515 7.515 7.869 -0.354 18716 404 1 1 . 1 1 88 88 VAL N N 88 119.978 119.978 119.147 0.831 18716 405 1 1 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.757 0.121 18716 406 1 1 . 1 1 88 88 VAL CA C 88 66.421 66.421 66.513 -0.092 18716 407 1 1 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.193 0.394 18716 408 1 1 . 1 1 88 88 VAL H H 88 8.429 8.429 7.422 1.007 18716 409 1 1 . 1 1 89 89 HIS N N 89 118.915 118.915 115.732 3.183 18716 410 1 1 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.597 0.278 18716 411 1 1 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.527 0.593 18716 412 1 1 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.354 -0.271 18716 413 1 1 . 1 1 89 89 HIS H H 89 8.797 8.797 7.482 1.315 18716 414 1 1 . 1 1 90 90 GLN N N 90 116.728 116.728 117.384 -0.656 18716 415 1 1 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.328 0.057 18716 416 1 1 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.900 0.389 18716 417 1 1 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.441 2.511 18716 418 1 1 . 1 1 90 90 GLN H H 90 7.986 7.986 7.392 0.594 18716 419 1 1 . 1 1 91 91 ARG N N 91 115.165 115.165 116.796 -1.631 18716 420 1 1 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.873 0.140 18716 421 1 1 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.239 -0.056 18716 422 1 1 . 1 1 91 91 ARG CB C 91 26.049 26.049 28.024 -1.975 18716 423 1 1 . 1 1 91 91 ARG H H 91 7.883 7.883 7.687 0.196 18716 424 1 1 . 1 1 92 92 ILE N N 92 120.087 120.087 118.790 1.297 18716 425 1 1 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.174 -0.189 18716 426 1 1 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.539 0.117 18716 427 1 1 . 1 1 92 92 ILE CB C 92 38.930 38.930 39.553 -0.623 18716 428 1 1 . 1 1 92 92 ILE H H 92 8.335 8.335 7.878 0.457 18716 429 1 1 . 1 1 93 93 ASP N N 93 129.228 129.228 124.634 4.594 18716 430 1 1 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.958 -0.473 18716 431 1 1 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.819 2.224 18716 432 1 1 . 1 1 93 93 ASP CB C 93 40.396 40.396 41.823 -1.427 18716 433 1 1 . 1 1 93 93 ASP H H 93 8.620 8.620 8.466 0.154 18716 434 1 1 . 1 1 94 94 VAL N N 94 115.790 115.790 117.337 -1.547 18716 435 1 1 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.388 0.245 18716 436 1 1 . 1 1 94 94 VAL CA C 94 59.120 59.120 59.618 -0.498 18716 437 1 1 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.413 1.099 18716 438 1 1 . 1 1 94 94 VAL H H 94 7.751 7.751 8.208 -0.457 18716 439 1 1 . 1 1 95 95 LYS N N 95 118.915 118.915 118.544 0.371 18716 440 1 1 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.473 -0.080 18716 441 1 1 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.044 -0.373 18716 442 1 1 . 1 1 95 95 LYS CB C 95 34.008 34.008 34.119 -0.111 18716 443 1 1 . 1 1 95 95 LYS H H 95 9.239 9.239 8.429 0.810 18716 444 1 1 . 1 1 96 96 ASP N N 96 112.040 112.040 115.038 -2.998 18716 445 1 1 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.232 0.330 18716 446 1 1 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.739 0.090 18716 447 1 1 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.490 1.114 18716 448 1 1 . 1 1 96 96 ASP H H 96 7.412 7.412 7.688 -0.276 18716 449 1 1 . 1 1 97 97 THR N N 97 109.540 109.540 114.531 -4.991 18716 450 1 1 . 1 1 97 97 THR HA H 97 3.661 3.661 4.013 -0.352 18716 451 1 1 . 1 1 97 97 THR CA C 97 65.947 65.947 67.056 -1.109 18716 452 1 1 . 1 1 97 97 THR CB C 97 70.285 70.285 68.869 1.416 18716 453 1 1 . 1 1 97 97 THR H H 97 7.250 7.250 8.407 -1.157 18716 454 1 1 . 1 1 98 98 LYS N N 98 121.102 121.102 121.125 -0.023 18716 455 1 1 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.978 -0.033 18716 456 1 1 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.416 0.212 18716 457 1 1 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.035 -0.108 18716 458 1 1 . 1 1 98 98 LYS H H 98 7.868 7.868 7.955 -0.087 18716 459 1 1 . 1 1 99 99 GLU N N 99 119.228 119.228 118.720 0.508 18716 460 1 1 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.176 -0.099 18716 461 1 1 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.688 0.107 18716 462 1 1 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.079 1.167 18716 463 1 1 . 1 1 99 99 GLU H H 99 8.384 8.384 8.518 -0.134 18716 464 1 1 . 1 1 100 100 ALA N N 100 118.915 118.915 121.638 -2.723 18716 465 1 1 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.096 0.290 18716 466 1 1 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.989 0.407 18716 467 1 1 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.252 1.507 18716 468 1 1 . 1 1 100 100 ALA H H 100 7.382 7.382 7.495 -0.113 18716 469 1 1 . 1 1 101 101 LEU N N 101 117.978 117.978 118.704 -0.726 18716 470 1 1 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.890 0.130 18716 471 1 1 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.889 0.086 18716 472 1 1 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.293 0.200 18716 473 1 1 . 1 1 101 101 LEU H H 101 8.119 8.119 7.666 0.453 18716 474 1 1 . 1 1 102 102 ASP N N 102 120.478 120.478 119.071 1.407 18716 475 1 1 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.391 -0.024 18716 476 1 1 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.417 -0.065 18716 477 1 1 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.063 -0.341 18716 478 1 1 . 1 1 102 102 ASP H H 102 8.679 8.679 8.085 0.594 18716 479 1 1 . 1 1 103 103 LYS N N 103 120.165 120.165 120.480 -0.315 18716 480 1 1 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.203 -0.039 18716 481 1 1 . 1 1 103 103 LYS CA C 103 58.364 58.364 58.866 -0.502 18716 482 1 1 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.475 -0.943 18716 483 1 1 . 1 1 103 103 LYS H H 103 8.207 8.207 7.446 0.761 18716 484 1 1 . 1 1 104 104 ILE N N 104 119.852 119.852 119.802 0.050 18716 485 1 1 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.838 -0.028 18716 486 1 1 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.352 -0.744 18716 487 1 1 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.047 -0.613 18716 488 1 1 . 1 1 104 104 ILE H H 104 8.163 8.163 8.371 -0.208 18716 489 1 1 . 1 1 105 105 GLU N N 105 121.415 121.415 120.674 0.741 18716 490 1 1 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.143 -0.108 18716 491 1 1 . 1 1 105 105 GLU CA C 105 59.634 59.634 58.975 0.659 18716 492 1 1 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.851 2.905 18716 493 1 1 . 1 1 105 105 GLU H H 105 8.001 8.001 8.408 -0.407 18716 494 1 1 . 1 1 106 106 GLU N N 106 119.228 119.228 120.406 -1.178 18716 495 1 1 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.101 -0.011 18716 496 1 1 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.513 -0.246 18716 497 1 1 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.738 -0.141 18716 498 1 1 . 1 1 106 106 GLU H H 106 8.031 8.031 7.940 0.091 18716 499 1 1 . 1 1 107 107 GLU N N 107 118.915 118.915 118.295 0.620 18716 500 1 1 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.115 -0.042 18716 501 1 1 . 1 1 107 107 GLU CA C 107 59.341 59.341 58.709 0.632 18716 502 1 1 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.849 0.021 18716 503 1 1 . 1 1 107 107 GLU H H 107 8.016 8.016 8.034 -0.018 18716 504 1 1 . 1 1 108 108 GLN N N 108 118.290 118.290 119.042 -0.752 18716 505 1 1 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.196 -0.049 18716 506 1 1 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.278 0.129 18716 507 1 1 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.796 0.049 18716 508 1 1 . 1 1 108 108 GLN H H 108 8.252 8.252 7.560 0.692 18716 509 1 1 . 1 1 109 109 ASN N N 109 118.290 118.290 118.375 -0.085 18716 510 1 1 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.527 0.090 18716 511 1 1 . 1 1 109 109 ASN CA C 109 54.882 54.882 55.807 -0.925 18716 512 1 1 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.279 0.246 18716 513 1 1 . 1 1 109 109 ASN H H 109 8.252 8.252 8.305 -0.053 18716 514 1 1 . 1 1 110 110 LYS N N 110 120.478 120.478 118.696 1.782 18716 515 1 1 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.314 -0.084 18716 516 1 1 . 1 1 110 110 LYS CA C 110 58.311 58.311 58.359 -0.048 18716 517 1 1 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.813 -0.122 18716 518 1 1 . 1 1 110 110 LYS H H 110 8.031 8.031 7.489 0.542 18716 519 1 1 . 1 1 111 111 SER N N 111 114.540 114.540 112.745 1.795 18716 520 1 1 . 1 1 111 111 SER HA H 111 4.368 4.368 4.533 -0.165 18716 521 1 1 . 1 1 111 111 SER CA C 111 59.764 59.764 58.848 0.916 18716 522 1 1 . 1 1 111 111 SER CB C 111 63.442 63.442 62.538 0.904 18716 523 1 1 . 1 1 111 111 SER H H 111 8.031 8.031 7.495 0.536 18716 524 1 1 . 1 1 112 112 LYS N N 112 122.040 122.040 120.971 1.069 18716 525 1 1 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.341 -0.096 18716 526 1 1 . 1 1 112 112 LYS CA C 112 57.329 57.329 57.610 -0.281 18716 527 1 1 . 1 1 112 112 LYS CB C 112 32.775 32.775 33.101 -0.326 18716 528 1 1 . 1 1 112 112 LYS H H 112 7.957 7.957 7.752 0.205 18716 529 1 1 . 1 1 113 113 LYS N N 113 120.790 120.790 119.343 1.447 18716 530 1 1 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.172 -0.022 18716 531 1 1 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.442 0.692 18716 532 1 1 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.718 0.048 18716 533 1 1 . 1 1 113 113 LYS H H 113 8.016 8.016 8.149 -0.133 18716 534 1 1 . 1 1 114 114 LYS N N 114 121.728 121.728 117.801 3.927 18716 535 1 1 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.364 -0.101 18716 536 1 1 . 1 1 114 114 LYS CA C 114 57.185 57.185 55.518 1.667 18716 537 1 1 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.157 0.700 18716 538 1 1 . 1 1 114 114 LYS H H 114 8.119 8.119 8.190 -0.071 18716 539 1 1 . 1 1 115 115 ALA N N 115 124.228 124.228 121.431 2.797 18716 540 1 1 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.516 -0.248 18716 541 1 1 . 1 1 115 115 ALA CA C 115 53.035 53.035 53.262 -0.227 18716 542 1 1 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.959 -0.921 18716 543 1 1 . 1 1 115 115 ALA H H 115 8.178 8.178 7.734 0.444 18716 544 1 1 . 1 1 116 116 GLN N N 116 119.228 119.228 118.403 0.825 18716 545 1 1 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.346 -0.098 18716 546 1 1 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.798 0.751 18716 547 1 1 . 1 1 116 116 GLN H H 116 8.237 8.237 8.035 0.202 18716 548 1 1 . 1 1 117 117 GLN N N 117 120.478 120.478 116.378 4.100 18716 549 1 1 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.016 0.253 18716 550 1 1 . 1 1 117 117 GLN CA C 117 56.324 56.324 56.620 -0.296 18716 551 1 1 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.249 1.357 18716 552 1 1 . 1 1 117 117 GLN H H 117 8.266 8.266 8.619 -0.353 18716 553 1 1 . 1 1 118 118 ALA N N 118 124.852 124.852 118.200 6.652 18716 554 1 1 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.343 -0.067 18716 555 1 1 . 1 1 118 118 ALA CA C 118 52.837 52.837 52.811 0.026 18716 556 1 1 . 1 1 118 118 ALA CB C 118 19.062 19.062 19.201 -0.139 18716 557 1 1 . 1 1 118 118 ALA H H 118 8.266 8.266 7.698 0.568 18716 558 1 1 . 1 1 119 119 ALA N N 119 122.978 122.978 122.276 0.702 18716 559 1 1 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.561 -0.267 18716 560 1 1 . 1 1 119 119 ALA CA C 119 52.637 52.637 51.981 0.656 18716 561 1 1 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.728 0.473 18716 562 1 1 . 1 1 119 119 ALA H H 119 8.163 8.163 8.232 -0.069 18716 563 1 1 . 1 1 120 120 ALA N N 120 122.665 122.665 120.055 2.610 18716 564 1 1 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.453 -0.176 18716 565 1 1 . 1 1 120 120 ALA CA C 120 52.736 52.736 51.835 0.901 18716 566 1 1 . 1 1 120 120 ALA CB C 120 19.167 19.167 18.836 0.331 18716 567 1 1 . 1 1 120 120 ALA H H 120 8.163 8.163 7.642 0.521 18716 568 1 1 . 1 1 121 121 ASP N N 121 119.228 119.228 119.834 -0.606 18716 569 1 1 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.826 -0.144 18716 570 1 1 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.309 -0.045 18716 571 1 1 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.986 0.142 18716 572 1 1 . 1 1 121 121 ASP H H 121 8.252 8.252 8.347 -0.095 18716 573 1 1 . 1 1 122 122 THR N N 122 113.602 113.602 112.304 1.298 18716 574 1 1 . 1 1 122 122 THR HA H 122 4.358 4.358 4.336 0.022 18716 575 1 1 . 1 1 122 122 THR CA C 122 61.971 61.971 62.660 -0.689 18716 576 1 1 . 1 1 122 122 THR CB C 122 69.586 69.586 69.317 0.269 18716 577 1 1 . 1 1 122 122 THR H H 122 8.075 8.075 8.034 0.041 18716 578 1 1 . 1 1 123 123 GLY N N 123 110.478 110.478 110.536 -0.058 18716 579 1 1 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.593 1.010 18716 580 1 1 . 1 1 123 123 GLY H H 123 8.414 8.414 7.981 0.433 18716 581 1 1 . 1 1 124 124 ASN N N 124 118.602 118.602 119.145 -0.543 18716 582 1 1 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.791 -0.183 18716 583 1 1 . 1 1 124 124 ASN CA C 124 54.733 54.733 53.290 1.443 18716 584 1 1 . 1 1 124 124 ASN CB C 124 38.538 38.538 38.370 0.168 18716 585 1 1 . 1 1 124 124 ASN H H 124 8.266 8.266 8.368 -0.102 18716 586 1 1 . 1 1 125 125 ASN N N 125 119.228 119.228 120.930 -1.702 18716 587 1 1 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.954 -0.230 18716 588 1 1 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.461 -0.008 18716 589 1 1 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.683 -0.870 18716 590 1 1 . 1 1 125 125 ASN H H 125 8.443 8.443 8.518 -0.075 18716 591 1 1 . 1 1 126 126 SER N N 126 115.790 115.790 117.485 -1.695 18716 592 1 1 . 1 1 126 126 SER HA H 126 4.388 4.388 4.581 -0.193 18716 593 1 1 . 1 1 126 126 SER CA C 126 58.851 58.851 57.865 0.986 18716 594 1 1 . 1 1 126 126 SER CB C 126 63.926 63.926 64.792 -0.866 18716 595 1 1 . 1 1 126 126 SER H H 126 8.266 8.266 8.299 -0.033 18716 596 1 1 . 1 1 127 127 GLN N N 127 121.728 121.728 120.151 1.577 18716 597 1 1 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.426 -0.103 18716 598 1 1 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.630 0.593 18716 599 1 1 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.289 -0.121 18716 600 1 1 . 1 1 127 127 GLN H H 127 8.355 8.355 8.299 0.056 18716 601 1 1 . 1 1 128 128 VAL N N 128 119.852 119.852 119.974 -0.122 18716 602 1 1 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.311 -0.202 18716 603 1 1 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.864 0.801 18716 604 1 1 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.629 0.140 18716 605 1 1 . 1 1 128 128 VAL H H 128 7.986 7.986 8.317 -0.331 18716 606 1 1 . 1 1 129 129 SER N N 129 117.978 117.978 122.236 -4.258 18716 607 1 1 . 1 1 129 129 SER HA H 129 4.136 4.136 4.798 -0.662 18716 608 1 1 . 1 1 129 129 SER CA C 129 58.404 58.404 57.404 1.000 18716 609 1 1 . 1 1 129 129 SER CB C 129 63.755 63.755 64.061 -0.306 18716 610 1 1 . 1 1 129 129 SER H H 129 8.252 8.252 8.383 -0.131 18716 611 1 1 . 1 1 130 130 GLN N N 130 121.728 121.728 124.515 -2.787 18716 612 1 1 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.512 -0.157 18716 613 1 1 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.028 1.122 18716 614 1 1 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.820 -0.447 18716 615 1 1 . 1 1 130 130 GLN H H 130 8.355 8.355 8.489 -0.134 18716 616 1 1 . 1 1 131 131 ASN N N 131 118.290 118.290 118.542 -0.252 18716 617 1 1 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.793 -0.161 18716 618 1 1 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.903 0.665 18716 619 1 1 . 1 1 131 131 ASN H H 131 8.252 8.252 8.420 -0.168 18716 620 1 2 . 1 1 3 3 ALA N N 3 123.842 123.842 124.963 -1.121 18716 621 1 2 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.677 -0.349 18716 622 1 2 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.832 0.705 18716 623 1 2 . 1 1 3 3 ALA CB C 3 17.251 17.251 21.108 -3.857 18716 624 1 2 . 1 1 3 3 ALA H H 3 8.183 8.183 8.246 -0.063 18716 625 1 2 . 1 1 4 4 ARG N N 4 120.165 120.165 123.161 -2.996 18716 626 1 2 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.378 -0.122 18716 627 1 2 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.915 0.050 18716 628 1 2 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.771 0.190 18716 629 1 2 . 1 1 4 4 ARG H H 4 8.429 8.429 8.504 -0.075 18716 630 1 2 . 1 1 5 5 ALA N N 5 125.165 125.165 125.547 -0.382 18716 631 1 2 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.526 -0.244 18716 632 1 2 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.376 0.995 18716 633 1 2 . 1 1 5 5 ALA CB C 5 19.672 19.672 21.547 -1.875 18716 634 1 2 . 1 1 5 5 ALA H H 5 8.370 8.370 8.344 0.026 18716 635 1 2 . 1 1 6 6 SER N N 6 114.540 114.540 115.871 -1.331 18716 636 1 2 . 1 1 6 6 SER HA H 6 4.479 4.479 4.668 -0.189 18716 637 1 2 . 1 1 6 6 SER CA C 6 57.804 57.804 57.732 0.072 18716 638 1 2 . 1 1 6 6 SER CB C 6 64.034 64.034 63.632 0.402 18716 639 1 2 . 1 1 6 6 SER H H 6 8.134 8.134 8.528 -0.394 18716 640 1 2 . 1 1 7 7 VAL N N 7 121.415 121.415 124.756 -3.341 18716 641 1 2 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.893 -0.276 18716 642 1 2 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.812 1.899 18716 643 1 2 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.327 -0.391 18716 644 1 2 . 1 1 7 7 VAL H H 7 8.119 8.119 8.575 -0.456 18716 645 1 2 . 1 1 8 8 LEU N N 8 115.478 115.478 117.858 -2.380 18716 646 1 2 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.727 0.187 18716 647 1 2 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.017 -0.542 18716 648 1 2 . 1 1 8 8 LEU CB C 8 44.314 44.314 43.732 0.582 18716 649 1 2 . 1 1 8 8 LEU H H 8 7.382 7.382 7.528 -0.146 18716 650 1 2 . 1 1 9 9 SER N N 9 118.290 118.290 119.623 -1.333 18716 651 1 2 . 1 1 9 9 SER HA H 9 4.606 4.606 4.485 0.121 18716 652 1 2 . 1 1 9 9 SER CA C 9 57.197 57.197 57.688 -0.491 18716 653 1 2 . 1 1 9 9 SER CB C 9 65.426 65.426 65.240 0.187 18716 654 1 2 . 1 1 9 9 SER H H 9 9.166 9.166 8.929 0.237 18716 655 1 2 . 1 1 10 10 GLY N N 10 109.228 109.228 108.412 0.816 18716 656 1 2 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.005 0.669 18716 657 1 2 . 1 1 10 10 GLY H H 10 8.959 8.959 8.694 0.265 18716 658 1 2 . 1 1 11 11 GLY N N 11 111.102 111.102 109.857 1.245 18716 659 1 2 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.416 0.245 18716 660 1 2 . 1 1 11 11 GLY H H 11 8.782 8.782 7.798 0.984 18716 661 1 2 . 1 1 12 12 GLU N N 12 120.165 120.165 122.040 -1.875 18716 662 1 2 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.044 -0.094 18716 663 1 2 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.555 0.541 18716 664 1 2 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.458 1.832 18716 665 1 2 . 1 1 12 12 GLU H H 12 7.751 7.751 7.618 0.133 18716 666 1 2 . 1 1 13 13 LEU N N 13 121.415 121.415 122.021 -0.606 18716 667 1 2 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.095 0.013 18716 668 1 2 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.308 -0.246 18716 669 1 2 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.809 -0.873 18716 670 1 2 . 1 1 13 13 LEU H H 13 8.340 8.340 8.312 0.028 18716 671 1 2 . 1 1 14 14 ASP N N 14 116.415 116.415 119.023 -2.608 18716 672 1 2 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.359 0.034 18716 673 1 2 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.455 -0.319 18716 674 1 2 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.718 0.368 18716 675 1 2 . 1 1 14 14 ASP H H 14 7.574 7.574 7.853 -0.279 18716 676 1 2 . 1 1 15 15 LYS N N 15 115.478 115.478 119.391 -3.913 18716 677 1 2 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.113 -0.067 18716 678 1 2 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.154 -0.752 18716 679 1 2 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.359 0.000 18716 680 1 2 . 1 1 15 15 LYS H H 15 7.117 7.117 7.690 -0.573 18716 681 1 2 . 1 1 16 16 TRP N N 16 121.693 121.693 122.075 -0.382 18716 682 1 2 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.167 -0.142 18716 683 1 2 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.585 -0.299 18716 684 1 2 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.561 1.552 18716 685 1 2 . 1 1 16 16 TRP H H 16 8.646 8.646 8.169 0.477 18716 686 1 2 . 1 1 17 17 GLU N N 17 127.710 127.710 116.796 10.914 18716 687 1 2 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.320 0.371 18716 688 1 2 . 1 1 17 17 GLU CA C 17 56.769 56.769 59.017 -2.248 18716 689 1 2 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.506 0.239 18716 690 1 2 . 1 1 17 17 GLU H H 17 7.571 7.571 8.276 -0.705 18716 691 1 2 . 1 1 18 18 LYS N N 18 115.790 115.790 118.906 -3.116 18716 692 1 2 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.143 0.354 18716 693 1 2 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.697 -2.128 18716 694 1 2 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.119 0.820 18716 695 1 2 . 1 1 18 18 LYS H H 18 7.456 7.456 7.346 0.110 18716 696 1 2 . 1 1 19 19 ILE N N 19 124.228 124.228 120.281 3.947 18716 697 1 2 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.945 -0.388 18716 698 1 2 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.468 -0.348 18716 699 1 2 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.760 0.422 18716 700 1 2 . 1 1 19 19 ILE H H 19 7.633 7.633 8.046 -0.413 18716 701 1 2 . 1 1 20 20 ARG N N 20 125.790 125.790 125.337 0.453 18716 702 1 2 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.578 -0.150 18716 703 1 2 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.201 2.294 18716 704 1 2 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.947 -0.410 18716 705 1 2 . 1 1 20 20 ARG H H 20 8.031 8.031 7.917 0.114 18716 706 1 2 . 1 1 21 21 LEU N N 21 120.165 120.165 119.395 0.770 18716 707 1 2 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.940 -0.509 18716 708 1 2 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.283 0.952 18716 709 1 2 . 1 1 21 21 LEU CB C 21 41.554 41.554 42.152 -0.598 18716 710 1 2 . 1 1 21 21 LEU H H 21 7.810 7.810 7.974 -0.164 18716 711 1 2 . 1 1 22 22 ARG N N 22 119.540 119.540 116.060 3.480 18716 712 1 2 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.662 0.183 18716 713 1 2 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.498 -0.654 18716 714 1 2 . 1 1 22 22 ARG CB C 22 31.617 31.617 30.989 0.628 18716 715 1 2 . 1 1 22 22 ARG H H 22 8.974 8.974 7.776 1.198 18716 716 1 2 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.608 -0.248 18716 717 1 2 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.452 -1.016 18716 718 1 2 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.574 -1.009 18716 719 1 2 . 1 1 24 24 GLY N N 24 112.665 112.665 105.391 7.274 18716 720 1 2 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.335 1.470 18716 721 1 2 . 1 1 24 24 GLY H H 24 9.138 9.138 8.258 0.880 18716 722 1 2 . 1 1 25 25 GLY N N 25 107.978 107.978 107.978 0.000 18716 723 1 2 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.224 0.348 18716 724 1 2 . 1 1 25 25 GLY H H 25 8.134 8.134 7.213 0.921 18716 725 1 2 . 1 1 26 26 LYS N N 26 117.665 117.665 118.443 -0.778 18716 726 1 2 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.390 -0.126 18716 727 1 2 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.139 0.714 18716 728 1 2 . 1 1 26 26 LYS CB C 26 34.056 34.056 33.651 0.405 18716 729 1 2 . 1 1 26 26 LYS H H 26 8.665 8.665 8.239 0.426 18716 730 1 2 . 1 1 27 27 LYS N N 27 117.925 117.925 122.962 -5.037 18716 731 1 2 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.074 0.237 18716 732 1 2 . 1 1 27 27 LYS CA C 27 57.211 57.211 56.889 0.321 18716 733 1 2 . 1 1 27 27 LYS CB C 27 33.878 33.878 32.144 1.734 18716 734 1 2 . 1 1 27 27 LYS H H 27 7.817 7.817 7.964 -0.147 18716 735 1 2 . 1 1 28 28 GLN N N 28 122.978 122.978 122.453 0.525 18716 736 1 2 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.208 0.608 18716 737 1 2 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.604 -1.131 18716 738 1 2 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.166 3.888 18716 739 1 2 . 1 1 28 28 GLN H H 28 8.458 8.458 8.305 0.153 18716 740 1 2 . 1 1 29 29 TYR N N 29 119.540 119.540 119.028 0.512 18716 741 1 2 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.443 -0.711 18716 742 1 2 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.819 1.191 18716 743 1 2 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.414 -2.198 18716 744 1 2 . 1 1 29 29 TYR H H 29 7.824 7.824 8.103 -0.279 18716 745 1 2 . 1 1 30 30 LYS N N 30 117.978 117.978 119.942 -1.964 18716 746 1 2 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.865 0.350 18716 747 1 2 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.702 -0.637 18716 748 1 2 . 1 1 30 30 LYS CB C 30 38.588 38.588 35.940 2.648 18716 749 1 2 . 1 1 30 30 LYS H H 30 10.610 10.610 9.145 1.465 18716 750 1 2 . 1 1 31 31 LEU N N 31 128.602 128.602 123.647 4.955 18716 751 1 2 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.129 0.052 18716 752 1 2 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.171 1.063 18716 753 1 2 . 1 1 31 31 LEU CB C 31 41.002 41.002 42.111 -1.109 18716 754 1 2 . 1 1 31 31 LEU H H 31 9.991 9.991 9.162 0.829 18716 755 1 2 . 1 1 32 32 LYS N N 32 115.165 115.165 118.272 -3.107 18716 756 1 2 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.904 0.241 18716 757 1 2 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.576 -0.479 18716 758 1 2 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.781 -0.222 18716 759 1 2 . 1 1 32 32 LYS H H 32 8.399 8.399 8.311 0.088 18716 760 1 2 . 1 1 33 33 HIS N N 33 119.540 119.540 117.077 2.463 18716 761 1 2 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.744 -0.140 18716 762 1 2 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.549 3.342 18716 763 1 2 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.553 2.231 18716 764 1 2 . 1 1 33 33 HIS H H 33 8.193 8.193 7.975 0.218 18716 765 1 2 . 1 1 34 34 ILE N N 34 119.540 119.540 121.101 -1.561 18716 766 1 2 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.918 -0.124 18716 767 1 2 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.823 -0.975 18716 768 1 2 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.815 -0.836 18716 769 1 2 . 1 1 34 34 ILE H H 34 7.898 7.898 7.532 0.366 18716 770 1 2 . 1 1 35 35 VAL N N 35 122.040 122.040 119.079 2.961 18716 771 1 2 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.820 -0.208 18716 772 1 2 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.927 -0.181 18716 773 1 2 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.692 0.450 18716 774 1 2 . 1 1 35 35 VAL H H 35 7.706 7.706 8.676 -0.970 18716 775 1 2 . 1 1 36 36 TRP N N 36 119.986 119.986 122.378 -2.392 18716 776 1 2 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.241 -0.008 18716 777 1 2 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.931 0.179 18716 778 1 2 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.353 -0.941 18716 779 1 2 . 1 1 36 36 TRP H H 36 8.452 8.452 7.807 0.645 18716 780 1 2 . 1 1 37 37 ALA N N 37 120.478 120.478 119.704 0.774 18716 781 1 2 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.726 -0.334 18716 782 1 2 . 1 1 37 37 ALA CA C 37 55.137 55.137 54.995 0.142 18716 783 1 2 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.250 -0.820 18716 784 1 2 . 1 1 37 37 ALA H H 37 8.311 8.311 8.050 0.261 18716 785 1 2 . 1 1 38 38 SER N N 38 111.415 111.415 114.894 -3.479 18716 786 1 2 . 1 1 38 38 SER HA H 38 3.906 3.906 4.133 -0.227 18716 787 1 2 . 1 1 38 38 SER CA C 38 62.801 62.801 62.432 0.368 18716 788 1 2 . 1 1 38 38 SER CB C 38 62.829 62.829 62.966 -0.137 18716 789 1 2 . 1 1 38 38 SER H H 38 8.259 8.259 7.420 0.839 18716 790 1 2 . 1 1 39 39 ARG N N 39 119.852 119.852 120.762 -0.910 18716 791 1 2 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.091 0.055 18716 792 1 2 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.618 -0.208 18716 793 1 2 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.146 -0.138 18716 794 1 2 . 1 1 39 39 ARG H H 39 7.559 7.559 7.752 -0.193 18716 795 1 2 . 1 1 40 40 GLU N N 40 121.102 121.102 118.990 2.112 18716 796 1 2 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.909 -0.122 18716 797 1 2 . 1 1 40 40 GLU CA C 40 58.281 58.281 57.794 0.487 18716 798 1 2 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.018 0.656 18716 799 1 2 . 1 1 40 40 GLU H H 40 8.222 8.222 7.365 0.857 18716 800 1 2 . 1 1 41 41 LEU N N 41 117.040 117.040 120.597 -3.557 18716 801 1 2 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.176 -0.216 18716 802 1 2 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.844 0.453 18716 803 1 2 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.017 -1.837 18716 804 1 2 . 1 1 41 41 LEU H H 41 8.016 8.016 7.871 0.145 18716 805 1 2 . 1 1 42 42 GLU N N 42 117.352 117.352 118.816 -1.464 18716 806 1 2 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.019 0.108 18716 807 1 2 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.288 0.283 18716 808 1 2 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.164 0.501 18716 809 1 2 . 1 1 42 42 GLU H H 42 7.559 7.559 7.691 -0.132 18716 810 1 2 . 1 1 43 43 ARG N N 43 119.540 119.540 118.823 0.717 18716 811 1 2 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.010 0.017 18716 812 1 2 . 1 1 43 43 ARG CA C 43 58.601 58.601 57.865 0.736 18716 813 1 2 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.978 -0.313 18716 814 1 2 . 1 1 43 43 ARG H H 43 7.647 7.647 7.545 0.102 18716 815 1 2 . 1 1 44 44 PHE N N 44 117.665 117.665 118.472 -0.807 18716 816 1 2 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.668 -0.052 18716 817 1 2 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.652 0.773 18716 818 1 2 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.315 0.839 18716 819 1 2 . 1 1 44 44 PHE H H 44 7.529 7.529 7.668 -0.139 18716 820 1 2 . 1 1 45 45 ALA N N 45 118.915 118.915 120.014 -1.099 18716 821 1 2 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.936 0.079 18716 822 1 2 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.380 0.034 18716 823 1 2 . 1 1 45 45 ALA CB C 45 16.281 16.281 17.043 -0.762 18716 824 1 2 . 1 1 45 45 ALA H H 45 7.928 7.928 7.720 0.208 18716 825 1 2 . 1 1 46 46 VAL N N 46 119.540 119.540 118.704 0.836 18716 826 1 2 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.158 -0.063 18716 827 1 2 . 1 1 46 46 VAL CA C 46 60.789 60.789 61.207 -0.418 18716 828 1 2 . 1 1 46 46 VAL CB C 46 33.420 33.420 32.763 0.657 18716 829 1 2 . 1 1 46 46 VAL H H 46 7.765 7.765 7.682 0.083 18716 830 1 2 . 1 1 47 47 ASN N N 47 125.790 125.790 127.452 -1.662 18716 831 1 2 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.752 -0.106 18716 832 1 2 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.521 -1.524 18716 833 1 2 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.352 0.734 18716 834 1 2 . 1 1 47 47 ASN H H 47 8.399 8.399 8.924 -0.525 18716 835 1 2 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.423 -0.201 18716 836 1 2 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.682 -0.368 18716 837 1 2 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.884 -0.144 18716 838 1 2 . 1 1 49 49 GLY N N 49 108.290 108.290 107.576 0.714 18716 839 1 2 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.275 0.255 18716 840 1 2 . 1 1 49 49 GLY H H 49 8.620 8.620 8.658 -0.038 18716 841 1 2 . 1 1 50 50 LEU N N 50 121.728 121.728 121.578 0.150 18716 842 1 2 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.148 -0.011 18716 843 1 2 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.096 1.203 18716 844 1 2 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.780 -0.217 18716 845 1 2 . 1 1 50 50 LEU H H 50 7.765 7.765 7.524 0.241 18716 846 1 2 . 1 1 51 51 LEU N N 51 112.040 112.040 117.960 -5.920 18716 847 1 2 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.147 0.079 18716 848 1 2 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.063 -0.556 18716 849 1 2 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.928 0.562 18716 850 1 2 . 1 1 51 51 LEU H H 51 7.412 7.412 7.716 -0.304 18716 851 1 2 . 1 1 52 52 GLU N N 52 114.540 114.540 113.745 0.795 18716 852 1 2 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.345 -0.290 18716 853 1 2 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.193 3.191 18716 854 1 2 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.513 1.545 18716 855 1 2 . 1 1 52 52 GLU H H 52 7.500 7.500 7.610 -0.110 18716 856 1 2 . 1 1 53 53 THR N N 53 122.978 122.978 112.167 10.811 18716 857 1 2 . 1 1 53 53 THR HA H 53 4.402 4.402 4.442 -0.040 18716 858 1 2 . 1 1 53 53 THR CA C 53 58.306 58.306 60.764 -2.458 18716 859 1 2 . 1 1 53 53 THR CB C 53 73.222 73.222 71.943 1.279 18716 860 1 2 . 1 1 53 53 THR H H 53 7.235 7.235 7.620 -0.385 18716 861 1 2 . 1 1 54 54 SER N N 54 119.228 119.228 120.609 -1.381 18716 862 1 2 . 1 1 54 54 SER HA H 54 4.043 4.043 4.317 -0.274 18716 863 1 2 . 1 1 54 54 SER CA C 54 62.657 62.657 61.572 1.085 18716 864 1 2 . 1 1 54 54 SER CB C 54 62.562 62.562 63.089 -0.527 18716 865 1 2 . 1 1 54 54 SER H H 54 9.313 9.313 8.949 0.364 18716 866 1 2 . 1 1 55 55 GLU N N 55 121.233 121.233 119.894 1.339 18716 867 1 2 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.379 -0.310 18716 868 1 2 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.605 1.070 18716 869 1 2 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.602 -0.603 18716 870 1 2 . 1 1 55 55 GLU H H 55 8.975 8.975 8.551 0.424 18716 871 1 2 . 1 1 56 56 GLY N N 56 110.790 110.790 108.743 2.047 18716 872 1 2 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.373 0.493 18716 873 1 2 . 1 1 56 56 GLY H H 56 8.517 8.517 8.270 0.247 18716 874 1 2 . 1 1 57 57 CYS N N 57 118.602 118.602 120.452 -1.850 18716 875 1 2 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.069 -0.045 18716 876 1 2 . 1 1 57 57 CYS CA C 57 64.602 64.602 64.403 0.199 18716 877 1 2 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.114 20.681 18716 878 1 2 . 1 1 57 57 CYS H H 57 8.134 8.134 8.079 0.055 18716 879 1 2 . 1 1 58 58 ARG N N 58 119.540 119.540 119.008 0.532 18716 880 1 2 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.554 -0.004 18716 881 1 2 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.560 0.147 18716 882 1 2 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.916 -0.467 18716 883 1 2 . 1 1 58 58 ARG H H 58 8.488 8.488 7.951 0.537 18716 884 1 2 . 1 1 59 59 GLN N N 59 119.852 119.852 118.761 1.091 18716 885 1 2 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.085 -0.033 18716 886 1 2 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.763 0.637 18716 887 1 2 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.792 -0.558 18716 888 1 2 . 1 1 59 59 GLN H H 59 8.016 8.016 7.430 0.586 18716 889 1 2 . 1 1 60 60 ILE N N 60 120.790 120.790 120.985 -0.195 18716 890 1 2 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.654 -0.042 18716 891 1 2 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.621 0.030 18716 892 1 2 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.877 -0.027 18716 893 1 2 . 1 1 60 60 ILE H H 60 8.163 8.163 8.466 -0.303 18716 894 1 2 . 1 1 61 61 LEU N N 61 118.915 118.915 117.966 0.949 18716 895 1 2 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.236 -0.341 18716 896 1 2 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.228 1.426 18716 897 1 2 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.089 -0.313 18716 898 1 2 . 1 1 61 61 LEU H H 61 8.370 8.370 8.246 0.124 18716 899 1 2 . 1 1 62 62 GLY N N 62 104.332 104.332 107.349 -3.017 18716 900 1 2 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.754 0.430 18716 901 1 2 . 1 1 62 62 GLY H H 62 7.883 7.883 7.772 0.111 18716 902 1 2 . 1 1 63 63 GLN N N 63 119.852 119.852 118.978 0.874 18716 903 1 2 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.310 -0.162 18716 904 1 2 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.702 0.171 18716 905 1 2 . 1 1 63 63 GLN CB C 63 29.115 29.115 28.808 0.307 18716 906 1 2 . 1 1 63 63 GLN H H 63 7.795 7.795 7.569 0.226 18716 907 1 2 . 1 1 64 64 LEU N N 64 117.040 117.040 119.189 -2.149 18716 908 1 2 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.124 0.134 18716 909 1 2 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.281 -0.098 18716 910 1 2 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.925 2.273 18716 911 1 2 . 1 1 64 64 LEU H H 64 8.252 8.252 7.440 0.812 18716 912 1 2 . 1 1 65 65 GLN N N 65 118.915 118.915 120.012 -1.097 18716 913 1 2 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.833 -0.054 18716 914 1 2 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.957 0.590 18716 915 1 2 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.866 -1.002 18716 916 1 2 . 1 1 65 65 GLN H H 65 8.104 8.104 8.342 -0.238 18716 917 1 2 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.334 0.049 18716 918 1 2 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.891 1.026 18716 919 1 2 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.143 -0.044 18716 920 1 2 . 1 1 67 67 SER N N 67 111.415 111.415 113.048 -1.633 18716 921 1 2 . 1 1 67 67 SER HA H 67 4.493 4.493 4.345 0.148 18716 922 1 2 . 1 1 67 67 SER CA C 67 59.696 59.696 59.594 0.102 18716 923 1 2 . 1 1 67 67 SER CB C 67 64.031 64.031 62.867 1.164 18716 924 1 2 . 1 1 67 67 SER H H 67 7.824 7.824 7.635 0.189 18716 925 1 2 . 1 1 68 68 LEU N N 68 121.102 121.102 121.665 -0.563 18716 926 1 2 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.796 0.020 18716 927 1 2 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.894 0.054 18716 928 1 2 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.332 0.437 18716 929 1 2 . 1 1 68 68 LEU H H 68 7.647 7.647 8.013 -0.366 18716 930 1 2 . 1 1 69 69 GLN N N 69 116.415 116.415 118.902 -2.487 18716 931 1 2 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.067 0.002 18716 932 1 2 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.382 0.088 18716 933 1 2 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.968 -0.540 18716 934 1 2 . 1 1 69 69 GLN H H 69 8.060 8.060 8.313 -0.253 18716 935 1 2 . 1 1 70 70 THR N N 70 106.728 106.728 108.856 -2.128 18716 936 1 2 . 1 1 70 70 THR HA H 70 4.481 4.481 4.607 -0.126 18716 937 1 2 . 1 1 70 70 THR CA C 70 61.291 61.291 61.064 0.227 18716 938 1 2 . 1 1 70 70 THR CB C 70 69.415 69.415 69.201 0.214 18716 939 1 2 . 1 1 70 70 THR H H 70 7.515 7.515 7.671 -0.156 18716 940 1 2 . 1 1 71 71 GLY N N 71 109.540 109.540 111.084 -1.544 18716 941 1 2 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.135 1.418 18716 942 1 2 . 1 1 71 71 GLY H H 71 7.692 7.692 7.439 0.253 18716 943 1 2 . 1 1 72 72 SER N N 72 114.540 114.540 114.691 -0.151 18716 944 1 2 . 1 1 72 72 SER HA H 72 4.625 4.625 4.685 -0.060 18716 945 1 2 . 1 1 72 72 SER CA C 72 57.319 57.319 57.123 0.196 18716 946 1 2 . 1 1 72 72 SER CB C 72 64.599 64.599 65.152 -0.553 18716 947 1 2 . 1 1 72 72 SER H H 72 8.045 8.045 8.127 -0.082 18716 948 1 2 . 1 1 73 73 GLU N N 73 124.228 124.228 120.970 3.258 18716 949 1 2 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.063 0.024 18716 950 1 2 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.853 -0.473 18716 951 1 2 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.555 -0.253 18716 952 1 2 . 1 1 73 73 GLU H H 73 9.092 9.092 8.948 0.144 18716 953 1 2 . 1 1 74 74 GLU N N 74 120.165 120.165 119.531 0.634 18716 954 1 2 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.397 -0.139 18716 955 1 2 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.692 0.614 18716 956 1 2 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.719 -0.257 18716 957 1 2 . 1 1 74 74 GLU H H 74 8.665 8.665 7.890 0.775 18716 958 1 2 . 1 1 75 75 LEU N N 75 121.415 121.415 120.731 0.684 18716 959 1 2 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.009 0.174 18716 960 1 2 . 1 1 75 75 LEU CA C 75 57.932 57.932 58.229 -0.297 18716 961 1 2 . 1 1 75 75 LEU CB C 75 41.178 41.178 41.975 -0.797 18716 962 1 2 . 1 1 75 75 LEU H H 75 7.765 7.765 7.559 0.206 18716 963 1 2 . 1 1 76 76 ARG N N 76 119.228 119.228 119.013 0.215 18716 964 1 2 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.903 0.030 18716 965 1 2 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.009 -0.327 18716 966 1 2 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.138 -0.941 18716 967 1 2 . 1 1 76 76 ARG H H 76 7.868 7.868 8.135 -0.267 18716 968 1 2 . 1 1 77 77 SER N N 77 114.228 114.228 115.530 -1.302 18716 969 1 2 . 1 1 77 77 SER HA H 77 4.263 4.263 4.225 0.038 18716 970 1 2 . 1 1 77 77 SER CA C 77 62.668 62.668 62.515 0.153 18716 971 1 2 . 1 1 77 77 SER CB C 77 62.849 62.849 63.063 -0.214 18716 972 1 2 . 1 1 77 77 SER H H 77 8.576 8.576 8.225 0.351 18716 973 1 2 . 1 1 78 78 LEU N N 78 125.790 125.790 123.442 2.348 18716 974 1 2 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.299 0.122 18716 975 1 2 . 1 1 78 78 LEU CA C 78 58.962 58.962 57.966 0.996 18716 976 1 2 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.233 0.685 18716 977 1 2 . 1 1 78 78 LEU H H 78 8.458 8.458 8.104 0.354 18716 978 1 2 . 1 1 79 79 TYR N N 79 119.852 119.852 119.458 0.394 18716 979 1 2 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.085 -0.424 18716 980 1 2 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.737 1.065 18716 981 1 2 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.306 0.888 18716 982 1 2 . 1 1 79 79 TYR H H 79 8.694 8.694 8.629 0.065 18716 983 1 2 . 1 1 80 80 ASN N N 80 117.040 117.040 117.374 -0.334 18716 984 1 2 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.517 -0.233 18716 985 1 2 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.234 -0.447 18716 986 1 2 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.207 -0.368 18716 987 1 2 . 1 1 80 80 ASN H H 80 8.871 8.871 7.973 0.898 18716 988 1 2 . 1 1 81 81 THR N N 81 115.790 115.790 118.572 -2.782 18716 989 1 2 . 1 1 81 81 THR HA H 81 3.945 3.945 4.313 -0.368 18716 990 1 2 . 1 1 81 81 THR CA C 81 67.855 67.855 67.019 0.837 18716 991 1 2 . 1 1 81 81 THR CB C 81 69.140 69.140 68.969 0.171 18716 992 1 2 . 1 1 81 81 THR H H 81 8.119 8.119 8.182 -0.063 18716 993 1 2 . 1 1 82 82 ILE N N 82 121.102 121.102 120.822 0.280 18716 994 1 2 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.834 -0.166 18716 995 1 2 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.160 -0.640 18716 996 1 2 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.161 -0.675 18716 997 1 2 . 1 1 82 82 ILE H H 82 8.090 8.090 8.807 -0.717 18716 998 1 2 . 1 1 83 83 ALA N N 83 125.165 125.165 123.572 1.593 18716 999 1 2 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.987 -0.096 18716 1000 1 2 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.131 0.724 18716 1001 1 2 . 1 1 83 83 ALA CB C 83 17.841 17.841 18.009 -0.168 18716 1002 1 2 . 1 1 83 83 ALA H H 83 8.782 8.782 7.300 1.482 18716 1003 1 2 . 1 1 84 84 VAL N N 84 117.665 117.665 119.406 -1.741 18716 1004 1 2 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.522 -0.194 18716 1005 1 2 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.301 1.164 18716 1006 1 2 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.287 -0.592 18716 1007 1 2 . 1 1 84 84 VAL H H 84 7.795 7.795 7.674 0.121 18716 1008 1 2 . 1 1 85 85 LEU N N 85 122.040 122.040 120.680 1.360 18716 1009 1 2 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.996 -0.181 18716 1010 1 2 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.813 0.497 18716 1011 1 2 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.881 0.267 18716 1012 1 2 . 1 1 85 85 LEU H H 85 8.163 8.163 8.190 -0.027 18716 1013 1 2 . 1 1 86 86 TYR N N 86 118.915 118.915 120.464 -1.549 18716 1014 1 2 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.021 -0.109 18716 1015 1 2 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.463 1.355 18716 1016 1 2 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.928 0.358 18716 1017 1 2 . 1 1 86 86 TYR H H 86 9.062 9.062 7.917 1.145 18716 1018 1 2 . 1 1 87 87 CYS N N 87 116.102 116.102 115.752 0.350 18716 1019 1 2 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.827 -0.033 18716 1020 1 2 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.067 2.899 18716 1021 1 2 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.025 20.532 18716 1022 1 2 . 1 1 87 87 CYS H H 87 7.515 7.515 8.360 -0.845 18716 1023 1 2 . 1 1 88 88 VAL N N 88 119.978 119.978 119.247 0.731 18716 1024 1 2 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.779 0.099 18716 1025 1 2 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.689 0.732 18716 1026 1 2 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.471 0.116 18716 1027 1 2 . 1 1 88 88 VAL H H 88 8.429 8.429 7.481 0.948 18716 1028 1 2 . 1 1 89 89 HIS N N 89 118.915 118.915 114.789 4.126 18716 1029 1 2 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.531 0.344 18716 1030 1 2 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.850 0.270 18716 1031 1 2 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.035 0.048 18716 1032 1 2 . 1 1 89 89 HIS H H 89 8.797 8.797 7.444 1.353 18716 1033 1 2 . 1 1 90 90 GLN N N 90 116.728 116.728 116.273 0.455 18716 1034 1 2 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.246 0.139 18716 1035 1 2 . 1 1 90 90 GLN CA C 90 55.289 55.289 57.016 -1.727 18716 1036 1 2 . 1 1 90 90 GLN CB C 90 30.952 30.952 31.033 -0.081 18716 1037 1 2 . 1 1 90 90 GLN H H 90 7.986 7.986 7.559 0.427 18716 1038 1 2 . 1 1 91 91 ARG N N 91 115.165 115.165 115.651 -0.486 18716 1039 1 2 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.311 -0.298 18716 1040 1 2 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.102 1.081 18716 1041 1 2 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.154 -5.105 18716 1042 1 2 . 1 1 91 91 ARG H H 91 7.883 7.883 7.644 0.239 18716 1043 1 2 . 1 1 92 92 ILE N N 92 120.087 120.087 122.185 -2.098 18716 1044 1 2 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.105 -0.120 18716 1045 1 2 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.445 -1.789 18716 1046 1 2 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.283 0.647 18716 1047 1 2 . 1 1 92 92 ILE H H 92 8.335 8.335 7.782 0.553 18716 1048 1 2 . 1 1 93 93 ASP N N 93 129.228 129.228 127.256 1.972 18716 1049 1 2 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.727 -0.242 18716 1050 1 2 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.280 2.763 18716 1051 1 2 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.213 0.183 18716 1052 1 2 . 1 1 93 93 ASP H H 93 8.620 8.620 8.569 0.051 18716 1053 1 2 . 1 1 94 94 VAL N N 94 115.790 115.790 116.379 -0.589 18716 1054 1 2 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.893 0.740 18716 1055 1 2 . 1 1 94 94 VAL CA C 94 59.120 59.120 63.268 -4.148 18716 1056 1 2 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.727 2.785 18716 1057 1 2 . 1 1 94 94 VAL H H 94 7.751 7.751 7.248 0.503 18716 1058 1 2 . 1 1 95 95 LYS N N 95 118.915 118.915 120.532 -1.617 18716 1059 1 2 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.320 0.073 18716 1060 1 2 . 1 1 95 95 LYS CA C 95 56.671 56.671 58.337 -1.666 18716 1061 1 2 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.210 0.798 18716 1062 1 2 . 1 1 95 95 LYS H H 95 9.239 9.239 8.520 0.719 18716 1063 1 2 . 1 1 96 96 ASP N N 96 112.040 112.040 112.498 -0.458 18716 1064 1 2 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.189 0.373 18716 1065 1 2 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.441 0.389 18716 1066 1 2 . 1 1 96 96 ASP CB C 96 44.604 44.604 42.883 1.721 18716 1067 1 2 . 1 1 96 96 ASP H H 96 7.412 7.412 7.713 -0.301 18716 1068 1 2 . 1 1 97 97 THR N N 97 109.540 109.540 113.583 -4.043 18716 1069 1 2 . 1 1 97 97 THR HA H 97 3.661 3.661 4.006 -0.345 18716 1070 1 2 . 1 1 97 97 THR CA C 97 65.947 65.947 66.614 -0.667 18716 1071 1 2 . 1 1 97 97 THR CB C 97 70.285 70.285 68.866 1.419 18716 1072 1 2 . 1 1 97 97 THR H H 97 7.250 7.250 8.275 -1.025 18716 1073 1 2 . 1 1 98 98 LYS N N 98 121.102 121.102 122.031 -0.929 18716 1074 1 2 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.984 -0.039 18716 1075 1 2 . 1 1 98 98 LYS CA C 98 59.628 59.628 60.057 -0.429 18716 1076 1 2 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.012 -0.085 18716 1077 1 2 . 1 1 98 98 LYS H H 98 7.868 7.868 8.196 -0.328 18716 1078 1 2 . 1 1 99 99 GLU N N 99 119.228 119.228 118.868 0.360 18716 1079 1 2 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.043 0.034 18716 1080 1 2 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.481 0.314 18716 1081 1 2 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.438 0.808 18716 1082 1 2 . 1 1 99 99 GLU H H 99 8.384 8.384 8.444 -0.060 18716 1083 1 2 . 1 1 100 100 ALA N N 100 118.915 118.915 121.307 -2.392 18716 1084 1 2 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.142 0.244 18716 1085 1 2 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.857 0.539 18716 1086 1 2 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.351 1.408 18716 1087 1 2 . 1 1 100 100 ALA H H 100 7.382 7.382 7.637 -0.255 18716 1088 1 2 . 1 1 101 101 LEU N N 101 117.978 117.978 119.466 -1.488 18716 1089 1 2 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.114 -0.094 18716 1090 1 2 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.826 0.149 18716 1091 1 2 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.131 0.362 18716 1092 1 2 . 1 1 101 101 LEU H H 101 8.119 8.119 7.711 0.408 18716 1093 1 2 . 1 1 102 102 ASP N N 102 120.478 120.478 119.300 1.178 18716 1094 1 2 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.329 0.038 18716 1095 1 2 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.419 -0.067 18716 1096 1 2 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.784 -1.062 18716 1097 1 2 . 1 1 102 102 ASP H H 102 8.679 8.679 7.971 0.708 18716 1098 1 2 . 1 1 103 103 LYS N N 103 120.165 120.165 119.725 0.440 18716 1099 1 2 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.055 0.109 18716 1100 1 2 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.367 -1.004 18716 1101 1 2 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.353 -0.821 18716 1102 1 2 . 1 1 103 103 LYS H H 103 8.207 8.207 7.937 0.270 18716 1103 1 2 . 1 1 104 104 ILE N N 104 119.852 119.852 118.696 1.156 18716 1104 1 2 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.807 0.003 18716 1105 1 2 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.879 -0.271 18716 1106 1 2 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.750 -0.316 18716 1107 1 2 . 1 1 104 104 ILE H H 104 8.163 8.163 7.655 0.508 18716 1108 1 2 . 1 1 105 105 GLU N N 105 121.415 121.415 120.873 0.542 18716 1109 1 2 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.042 -0.007 18716 1110 1 2 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.725 -0.091 18716 1111 1 2 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.563 3.193 18716 1112 1 2 . 1 1 105 105 GLU H H 105 8.001 8.001 7.935 0.066 18716 1113 1 2 . 1 1 106 106 GLU N N 106 119.228 119.228 119.586 -0.358 18716 1114 1 2 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.095 -0.005 18716 1115 1 2 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.283 -0.016 18716 1116 1 2 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.539 0.058 18716 1117 1 2 . 1 1 106 106 GLU H H 106 8.031 8.031 8.194 -0.163 18716 1118 1 2 . 1 1 107 107 GLU N N 107 118.915 118.915 119.557 -0.642 18716 1119 1 2 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.040 0.033 18716 1120 1 2 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.616 -0.275 18716 1121 1 2 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.392 0.478 18716 1122 1 2 . 1 1 107 107 GLU H H 107 8.016 8.016 7.907 0.109 18716 1123 1 2 . 1 1 108 108 GLN N N 108 118.290 118.290 118.149 0.141 18716 1124 1 2 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.072 0.075 18716 1125 1 2 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.624 -0.217 18716 1126 1 2 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.318 0.527 18716 1127 1 2 . 1 1 108 108 GLN H H 108 8.252 8.252 7.842 0.410 18716 1128 1 2 . 1 1 109 109 ASN N N 109 118.290 118.290 117.193 1.097 18716 1129 1 2 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.505 0.112 18716 1130 1 2 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.368 -1.486 18716 1131 1 2 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.633 -0.108 18716 1132 1 2 . 1 1 109 109 ASN H H 109 8.252 8.252 7.807 0.445 18716 1133 1 2 . 1 1 110 110 LYS N N 110 120.478 120.478 120.340 0.138 18716 1134 1 2 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.156 0.074 18716 1135 1 2 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.137 -0.826 18716 1136 1 2 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.534 0.157 18716 1137 1 2 . 1 1 110 110 LYS H H 110 8.031 8.031 7.672 0.359 18716 1138 1 2 . 1 1 111 111 SER N N 111 114.540 114.540 115.867 -1.327 18716 1139 1 2 . 1 1 111 111 SER HA H 111 4.368 4.368 4.239 0.129 18716 1140 1 2 . 1 1 111 111 SER CA C 111 59.764 59.764 61.940 -2.175 18716 1141 1 2 . 1 1 111 111 SER CB C 111 63.442 63.442 63.350 0.092 18716 1142 1 2 . 1 1 111 111 SER H H 111 8.031 8.031 7.991 0.040 18716 1143 1 2 . 1 1 112 112 LYS N N 112 122.040 122.040 121.627 0.413 18716 1144 1 2 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.058 0.187 18716 1145 1 2 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.904 -1.575 18716 1146 1 2 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.434 0.341 18716 1147 1 2 . 1 1 112 112 LYS H H 112 7.957 7.957 8.312 -0.355 18716 1148 1 2 . 1 1 113 113 LYS N N 113 120.790 120.790 118.166 2.624 18716 1149 1 2 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.015 0.135 18716 1150 1 2 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.447 -0.313 18716 1151 1 2 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.371 0.395 18716 1152 1 2 . 1 1 113 113 LYS H H 113 8.016 8.016 7.749 0.267 18716 1153 1 2 . 1 1 114 114 LYS N N 114 121.728 121.728 118.408 3.320 18716 1154 1 2 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.146 0.117 18716 1155 1 2 . 1 1 114 114 LYS CA C 114 57.185 57.185 59.083 -1.898 18716 1156 1 2 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.359 0.498 18716 1157 1 2 . 1 1 114 114 LYS H H 114 8.119 8.119 7.395 0.724 18716 1158 1 2 . 1 1 115 115 ALA N N 115 124.228 124.228 121.195 3.033 18716 1159 1 2 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.186 0.082 18716 1160 1 2 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.505 -1.470 18716 1161 1 2 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.945 0.094 18716 1162 1 2 . 1 1 115 115 ALA H H 115 8.178 8.178 7.504 0.674 18716 1163 1 2 . 1 1 116 116 GLN N N 116 119.228 119.228 115.652 3.576 18716 1164 1 2 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.628 -0.380 18716 1165 1 2 . 1 1 116 116 GLN CA C 116 56.549 56.549 54.268 2.281 18716 1166 1 2 . 1 1 116 116 GLN H H 116 8.237 8.237 7.684 0.553 18716 1167 1 2 . 1 1 117 117 GLN N N 117 120.478 120.478 119.909 0.569 18716 1168 1 2 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.016 0.254 18716 1169 1 2 . 1 1 117 117 GLN CA C 117 56.324 56.324 59.118 -2.794 18716 1170 1 2 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.247 1.359 18716 1171 1 2 . 1 1 117 117 GLN H H 117 8.266 8.266 7.614 0.652 18716 1172 1 2 . 1 1 118 118 ALA N N 118 124.852 124.852 120.616 4.236 18716 1173 1 2 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.118 0.158 18716 1174 1 2 . 1 1 118 118 ALA CA C 118 52.837 52.837 54.066 -1.229 18716 1175 1 2 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.181 0.881 18716 1176 1 2 . 1 1 118 118 ALA H H 118 8.266 8.266 8.354 -0.088 18716 1177 1 2 . 1 1 119 119 ALA N N 119 122.978 122.978 120.159 2.819 18716 1178 1 2 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.214 0.080 18716 1179 1 2 . 1 1 119 119 ALA CA C 119 52.637 52.637 54.167 -1.530 18716 1180 1 2 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.410 0.791 18716 1181 1 2 . 1 1 119 119 ALA H H 119 8.163 8.163 7.601 0.562 18716 1182 1 2 . 1 1 120 120 ALA N N 120 122.665 122.665 120.439 2.226 18716 1183 1 2 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.229 0.048 18716 1184 1 2 . 1 1 120 120 ALA CA C 120 52.736 52.736 53.564 -0.828 18716 1185 1 2 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.505 -0.338 18716 1186 1 2 . 1 1 120 120 ALA H H 120 8.163 8.163 7.808 0.355 18716 1187 1 2 . 1 1 121 121 ASP N N 121 119.228 119.228 119.440 -0.212 18716 1188 1 2 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.982 -0.300 18716 1189 1 2 . 1 1 121 121 ASP CA C 121 54.264 54.264 53.245 1.018 18716 1190 1 2 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.423 0.705 18716 1191 1 2 . 1 1 121 121 ASP H H 121 8.252 8.252 8.016 0.236 18716 1192 1 2 . 1 1 122 122 THR N N 122 113.602 113.602 114.196 -0.594 18716 1193 1 2 . 1 1 122 122 THR HA H 122 4.358 4.358 4.380 -0.022 18716 1194 1 2 . 1 1 122 122 THR CA C 122 61.971 61.971 62.067 -0.096 18716 1195 1 2 . 1 1 122 122 THR CB C 122 69.586 69.586 69.413 0.173 18716 1196 1 2 . 1 1 122 122 THR H H 122 8.075 8.075 7.529 0.546 18716 1197 1 2 . 1 1 123 123 GLY N N 123 110.478 110.478 108.976 1.502 18716 1198 1 2 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.981 -0.378 18716 1199 1 2 . 1 1 123 123 GLY H H 123 8.414 8.414 8.686 -0.272 18716 1200 1 2 . 1 1 124 124 ASN N N 124 118.602 118.602 118.185 0.417 18716 1201 1 2 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.766 -0.158 18716 1202 1 2 . 1 1 124 124 ASN CA C 124 54.733 54.733 51.753 2.980 18716 1203 1 2 . 1 1 124 124 ASN CB C 124 38.538 38.538 37.813 0.725 18716 1204 1 2 . 1 1 124 124 ASN H H 124 8.266 8.266 8.267 -0.001 18716 1205 1 2 . 1 1 125 125 ASN N N 125 119.228 119.228 120.257 -1.029 18716 1206 1 2 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.565 0.159 18716 1207 1 2 . 1 1 125 125 ASN CA C 125 53.453 53.453 54.179 -0.726 18716 1208 1 2 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.373 -0.560 18716 1209 1 2 . 1 1 125 125 ASN H H 125 8.443 8.443 8.371 0.072 18716 1210 1 2 . 1 1 126 126 SER N N 126 115.790 115.790 117.968 -2.178 18716 1211 1 2 . 1 1 126 126 SER HA H 126 4.388 4.388 4.601 -0.213 18716 1212 1 2 . 1 1 126 126 SER CA C 126 58.851 58.851 57.451 1.400 18716 1213 1 2 . 1 1 126 126 SER CB C 126 63.926 63.926 64.449 -0.523 18716 1214 1 2 . 1 1 126 126 SER H H 126 8.266 8.266 8.431 -0.165 18716 1215 1 2 . 1 1 127 127 GLN N N 127 121.728 121.728 123.770 -2.042 18716 1216 1 2 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.571 -0.248 18716 1217 1 2 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.262 0.961 18716 1218 1 2 . 1 1 127 127 GLN CB C 127 29.168 29.168 30.285 -1.117 18716 1219 1 2 . 1 1 127 127 GLN H H 127 8.355 8.355 8.388 -0.033 18716 1220 1 2 . 1 1 128 128 VAL N N 128 119.852 119.852 118.418 1.434 18716 1221 1 2 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.492 -0.383 18716 1222 1 2 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.840 0.825 18716 1223 1 2 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.969 -0.201 18716 1224 1 2 . 1 1 128 128 VAL H H 128 7.986 7.986 8.178 -0.192 18716 1225 1 2 . 1 1 129 129 SER N N 129 117.978 117.978 120.079 -2.101 18716 1226 1 2 . 1 1 129 129 SER HA H 129 4.136 4.136 4.691 -0.555 18716 1227 1 2 . 1 1 129 129 SER CA C 129 58.404 58.404 57.885 0.519 18716 1228 1 2 . 1 1 129 129 SER CB C 129 63.755 63.755 64.267 -0.512 18716 1229 1 2 . 1 1 129 129 SER H H 129 8.252 8.252 8.293 -0.041 18716 1230 1 2 . 1 1 130 130 GLN N N 130 121.728 121.728 119.718 2.010 18716 1231 1 2 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.434 -0.079 18716 1232 1 2 . 1 1 130 130 GLN CA C 130 56.150 56.150 56.162 -0.012 18716 1233 1 2 . 1 1 130 130 GLN CB C 130 29.373 29.373 28.969 0.404 18716 1234 1 2 . 1 1 130 130 GLN H H 130 8.355 8.355 8.751 -0.396 18716 1235 1 2 . 1 1 131 131 ASN N N 131 118.290 118.290 117.178 1.112 18716 1236 1 2 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.495 0.137 18716 1237 1 2 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.888 -0.320 18716 1238 1 2 . 1 1 131 131 ASN H H 131 8.252 8.252 8.328 -0.076 18716 1239 1 3 . 1 1 3 3 ALA N N 3 123.842 123.842 122.402 1.440 18716 1240 1 3 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.490 -0.162 18716 1241 1 3 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.174 0.363 18716 1242 1 3 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.477 -2.226 18716 1243 1 3 . 1 1 3 3 ALA H H 3 8.183 8.183 8.244 -0.061 18716 1244 1 3 . 1 1 4 4 ARG N N 4 120.165 120.165 120.364 -0.199 18716 1245 1 3 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.650 -0.394 18716 1246 1 3 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.301 0.664 18716 1247 1 3 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.350 -0.389 18716 1248 1 3 . 1 1 4 4 ARG H H 4 8.429 8.429 8.181 0.248 18716 1249 1 3 . 1 1 5 5 ALA N N 5 125.165 125.165 122.968 2.197 18716 1250 1 3 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.564 -0.282 18716 1251 1 3 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.795 0.576 18716 1252 1 3 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.737 -1.065 18716 1253 1 3 . 1 1 5 5 ALA H H 5 8.370 8.370 8.143 0.227 18716 1254 1 3 . 1 1 6 6 SER N N 6 114.540 114.540 116.014 -1.474 18716 1255 1 3 . 1 1 6 6 SER HA H 6 4.479 4.479 4.581 -0.102 18716 1256 1 3 . 1 1 6 6 SER CA C 6 57.804 57.804 57.095 0.709 18716 1257 1 3 . 1 1 6 6 SER CB C 6 64.034 64.034 61.507 2.527 18716 1258 1 3 . 1 1 6 6 SER H H 6 8.134 8.134 8.818 -0.684 18716 1259 1 3 . 1 1 7 7 VAL N N 7 121.415 121.415 123.080 -1.665 18716 1260 1 3 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.928 -0.311 18716 1261 1 3 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.207 2.504 18716 1262 1 3 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.051 -0.115 18716 1263 1 3 . 1 1 7 7 VAL H H 7 8.119 8.119 7.676 0.443 18716 1264 1 3 . 1 1 8 8 LEU N N 8 115.478 115.478 117.480 -2.002 18716 1265 1 3 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.713 0.201 18716 1266 1 3 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.143 -0.668 18716 1267 1 3 . 1 1 8 8 LEU CB C 8 44.314 44.314 43.382 0.932 18716 1268 1 3 . 1 1 8 8 LEU H H 8 7.382 7.382 7.751 -0.369 18716 1269 1 3 . 1 1 9 9 SER N N 9 118.290 118.290 119.236 -0.946 18716 1270 1 3 . 1 1 9 9 SER HA H 9 4.606 4.606 4.413 0.193 18716 1271 1 3 . 1 1 9 9 SER CA C 9 57.197 57.197 57.737 -0.540 18716 1272 1 3 . 1 1 9 9 SER CB C 9 65.426 65.426 64.663 0.763 18716 1273 1 3 . 1 1 9 9 SER H H 9 9.166 9.166 8.833 0.333 18716 1274 1 3 . 1 1 10 10 GLY N N 10 109.228 109.228 108.366 0.862 18716 1275 1 3 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.054 0.620 18716 1276 1 3 . 1 1 10 10 GLY H H 10 8.959 8.959 8.662 0.297 18716 1277 1 3 . 1 1 11 11 GLY N N 11 111.102 111.102 109.864 1.238 18716 1278 1 3 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.479 0.182 18716 1279 1 3 . 1 1 11 11 GLY H H 11 8.782 8.782 7.801 0.981 18716 1280 1 3 . 1 1 12 12 GLU N N 12 120.165 120.165 122.044 -1.879 18716 1281 1 3 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.013 -0.063 18716 1282 1 3 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.732 0.364 18716 1283 1 3 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.466 1.824 18716 1284 1 3 . 1 1 12 12 GLU H H 12 7.751 7.751 7.576 0.175 18716 1285 1 3 . 1 1 13 13 LEU N N 13 121.415 121.415 121.775 -0.360 18716 1286 1 3 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.086 0.022 18716 1287 1 3 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.357 -0.295 18716 1288 1 3 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.948 -1.012 18716 1289 1 3 . 1 1 13 13 LEU H H 13 8.340 8.340 8.269 0.071 18716 1290 1 3 . 1 1 14 14 ASP N N 14 116.415 116.415 119.615 -3.200 18716 1291 1 3 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.319 0.074 18716 1292 1 3 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.992 -0.856 18716 1293 1 3 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.355 0.731 18716 1294 1 3 . 1 1 14 14 ASP H H 14 7.574 7.574 7.899 -0.325 18716 1295 1 3 . 1 1 15 15 LYS N N 15 115.478 115.478 119.303 -3.825 18716 1296 1 3 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.107 -0.061 18716 1297 1 3 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.039 -0.637 18716 1298 1 3 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.230 0.129 18716 1299 1 3 . 1 1 15 15 LYS H H 15 7.117 7.117 7.575 -0.458 18716 1300 1 3 . 1 1 16 16 TRP N N 16 121.693 121.693 121.997 -0.304 18716 1301 1 3 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.183 -0.158 18716 1302 1 3 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.844 -0.558 18716 1303 1 3 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.381 1.732 18716 1304 1 3 . 1 1 16 16 TRP H H 16 8.646 8.646 8.333 0.313 18716 1305 1 3 . 1 1 17 17 GLU N N 17 127.710 127.710 116.725 10.985 18716 1306 1 3 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.349 0.342 18716 1307 1 3 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.958 -2.189 18716 1308 1 3 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.448 0.297 18716 1309 1 3 . 1 1 17 17 GLU H H 17 7.571 7.571 8.250 -0.679 18716 1310 1 3 . 1 1 18 18 LYS N N 18 115.790 115.790 119.469 -3.679 18716 1311 1 3 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.200 0.297 18716 1312 1 3 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.462 -1.893 18716 1313 1 3 . 1 1 18 18 LYS CB C 18 33.939 33.939 32.913 1.026 18716 1314 1 3 . 1 1 18 18 LYS H H 18 7.456 7.456 7.221 0.235 18716 1315 1 3 . 1 1 19 19 ILE N N 19 124.228 124.228 120.575 3.653 18716 1316 1 3 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.081 -0.524 18716 1317 1 3 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.499 -0.379 18716 1318 1 3 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.812 0.370 18716 1319 1 3 . 1 1 19 19 ILE H H 19 7.633 7.633 8.233 -0.600 18716 1320 1 3 . 1 1 20 20 ARG N N 20 125.790 125.790 125.054 0.736 18716 1321 1 3 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.563 -0.135 18716 1322 1 3 . 1 1 20 20 ARG CA C 20 56.495 56.495 53.911 2.584 18716 1323 1 3 . 1 1 20 20 ARG CB C 20 31.537 31.537 32.276 -0.739 18716 1324 1 3 . 1 1 20 20 ARG H H 20 8.031 8.031 8.265 -0.234 18716 1325 1 3 . 1 1 21 21 LEU N N 21 120.165 120.165 120.040 0.125 18716 1326 1 3 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.858 -0.427 18716 1327 1 3 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.540 0.695 18716 1328 1 3 . 1 1 21 21 LEU CB C 21 41.554 41.554 41.843 -0.289 18716 1329 1 3 . 1 1 21 21 LEU H H 21 7.810 7.810 8.400 -0.590 18716 1330 1 3 . 1 1 22 22 ARG N N 22 119.540 119.540 113.872 5.668 18716 1331 1 3 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.653 0.192 18716 1332 1 3 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.068 -0.224 18716 1333 1 3 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.001 -0.384 18716 1334 1 3 . 1 1 22 22 ARG H H 22 8.974 8.974 7.604 1.370 18716 1335 1 3 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.520 -0.160 18716 1336 1 3 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.592 -1.156 18716 1337 1 3 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.142 -0.577 18716 1338 1 3 . 1 1 24 24 GLY N N 24 112.665 112.665 106.848 5.817 18716 1339 1 3 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.559 1.246 18716 1340 1 3 . 1 1 24 24 GLY H H 24 9.138 9.138 8.333 0.805 18716 1341 1 3 . 1 1 25 25 GLY N N 25 107.978 107.978 108.609 -0.631 18716 1342 1 3 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.641 -0.069 18716 1343 1 3 . 1 1 25 25 GLY H H 25 8.134 8.134 7.341 0.793 18716 1344 1 3 . 1 1 26 26 LYS N N 26 117.665 117.665 118.945 -1.280 18716 1345 1 3 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.486 -0.222 18716 1346 1 3 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.615 0.238 18716 1347 1 3 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.641 1.415 18716 1348 1 3 . 1 1 26 26 LYS H H 26 8.665 8.665 8.276 0.389 18716 1349 1 3 . 1 1 27 27 LYS N N 27 117.925 117.925 119.415 -1.490 18716 1350 1 3 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.608 -0.297 18716 1351 1 3 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.171 2.040 18716 1352 1 3 . 1 1 27 27 LYS CB C 27 33.878 33.878 35.081 -1.203 18716 1353 1 3 . 1 1 27 27 LYS H H 27 7.817 7.817 7.779 0.038 18716 1354 1 3 . 1 1 28 28 GLN N N 28 122.978 122.978 117.502 5.476 18716 1355 1 3 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.479 0.337 18716 1356 1 3 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.215 0.258 18716 1357 1 3 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.081 3.973 18716 1358 1 3 . 1 1 28 28 GLN H H 28 8.458 8.458 8.287 0.171 18716 1359 1 3 . 1 1 29 29 TYR N N 29 119.540 119.540 118.992 0.548 18716 1360 1 3 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.663 -0.931 18716 1361 1 3 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.413 2.597 18716 1362 1 3 . 1 1 29 29 TYR CB C 29 37.216 37.216 40.095 -2.879 18716 1363 1 3 . 1 1 29 29 TYR H H 29 7.824 7.824 8.387 -0.563 18716 1364 1 3 . 1 1 30 30 LYS N N 30 117.978 117.978 120.792 -2.814 18716 1365 1 3 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.908 0.308 18716 1366 1 3 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.101 -1.036 18716 1367 1 3 . 1 1 30 30 LYS CB C 30 38.588 38.588 35.889 2.699 18716 1368 1 3 . 1 1 30 30 LYS H H 30 10.610 10.610 9.123 1.487 18716 1369 1 3 . 1 1 31 31 LEU N N 31 128.602 128.602 124.590 4.012 18716 1370 1 3 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.034 0.147 18716 1371 1 3 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.195 1.039 18716 1372 1 3 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.874 -0.872 18716 1373 1 3 . 1 1 31 31 LEU H H 31 9.991 9.991 8.791 1.200 18716 1374 1 3 . 1 1 32 32 LYS N N 32 115.165 115.165 119.254 -4.089 18716 1375 1 3 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.962 0.183 18716 1376 1 3 . 1 1 32 32 LYS CA C 32 59.097 59.097 58.972 0.124 18716 1377 1 3 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.813 -0.254 18716 1378 1 3 . 1 1 32 32 LYS H H 32 8.399 8.399 8.599 -0.200 18716 1379 1 3 . 1 1 33 33 HIS N N 33 119.540 119.540 116.653 2.887 18716 1380 1 3 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.708 -0.104 18716 1381 1 3 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.228 3.663 18716 1382 1 3 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.629 2.155 18716 1383 1 3 . 1 1 33 33 HIS H H 33 8.193 8.193 8.037 0.156 18716 1384 1 3 . 1 1 34 34 ILE N N 34 119.540 119.540 120.790 -1.250 18716 1385 1 3 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.871 -0.077 18716 1386 1 3 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.910 -1.062 18716 1387 1 3 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.735 -0.756 18716 1388 1 3 . 1 1 34 34 ILE H H 34 7.898 7.898 7.614 0.284 18716 1389 1 3 . 1 1 35 35 VAL N N 35 122.040 122.040 119.227 2.813 18716 1390 1 3 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.876 -0.264 18716 1391 1 3 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.282 0.464 18716 1392 1 3 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.424 0.718 18716 1393 1 3 . 1 1 35 35 VAL H H 35 7.706 7.706 8.472 -0.766 18716 1394 1 3 . 1 1 36 36 TRP N N 36 119.986 119.986 122.195 -2.209 18716 1395 1 3 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.225 0.008 18716 1396 1 3 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.989 0.121 18716 1397 1 3 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.307 -0.895 18716 1398 1 3 . 1 1 36 36 TRP H H 36 8.452 8.452 7.724 0.728 18716 1399 1 3 . 1 1 37 37 ALA N N 37 120.478 120.478 119.473 1.005 18716 1400 1 3 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.624 -0.233 18716 1401 1 3 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.010 0.127 18716 1402 1 3 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.039 -0.609 18716 1403 1 3 . 1 1 37 37 ALA H H 37 8.311 8.311 8.121 0.190 18716 1404 1 3 . 1 1 38 38 SER N N 38 111.415 111.415 114.660 -3.245 18716 1405 1 3 . 1 1 38 38 SER HA H 38 3.906 3.906 4.098 -0.192 18716 1406 1 3 . 1 1 38 38 SER CA C 38 62.801 62.801 62.225 0.576 18716 1407 1 3 . 1 1 38 38 SER CB C 38 62.829 62.829 62.603 0.226 18716 1408 1 3 . 1 1 38 38 SER H H 38 8.259 8.259 7.555 0.704 18716 1409 1 3 . 1 1 39 39 ARG N N 39 119.852 119.852 121.583 -1.731 18716 1410 1 3 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.014 0.132 18716 1411 1 3 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.309 -0.900 18716 1412 1 3 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.263 -0.255 18716 1413 1 3 . 1 1 39 39 ARG H H 39 7.559 7.559 7.523 0.036 18716 1414 1 3 . 1 1 40 40 GLU N N 40 121.102 121.102 118.670 2.432 18716 1415 1 3 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.740 0.047 18716 1416 1 3 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.135 0.146 18716 1417 1 3 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.668 1.006 18716 1418 1 3 . 1 1 40 40 GLU H H 40 8.222 8.222 7.541 0.681 18716 1419 1 3 . 1 1 41 41 LEU N N 41 117.040 117.040 119.914 -2.874 18716 1420 1 3 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.066 -0.106 18716 1421 1 3 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.690 0.608 18716 1422 1 3 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.011 -1.831 18716 1423 1 3 . 1 1 41 41 LEU H H 41 8.016 8.016 7.820 0.196 18716 1424 1 3 . 1 1 42 42 GLU N N 42 117.352 117.352 119.362 -2.010 18716 1425 1 3 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.039 0.088 18716 1426 1 3 . 1 1 42 42 GLU CA C 42 59.571 59.571 58.730 0.841 18716 1427 1 3 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.100 0.565 18716 1428 1 3 . 1 1 42 42 GLU H H 42 7.559 7.559 7.815 -0.256 18716 1429 1 3 . 1 1 43 43 ARG N N 43 119.540 119.540 119.160 0.380 18716 1430 1 3 . 1 1 43 43 ARG HA H 43 4.027 4.027 3.997 0.030 18716 1431 1 3 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.026 0.576 18716 1432 1 3 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.968 -0.303 18716 1433 1 3 . 1 1 43 43 ARG H H 43 7.647 7.647 7.156 0.491 18716 1434 1 3 . 1 1 44 44 PHE N N 44 117.665 117.665 118.248 -0.583 18716 1435 1 3 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.690 -0.074 18716 1436 1 3 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.237 1.188 18716 1437 1 3 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.155 0.999 18716 1438 1 3 . 1 1 44 44 PHE H H 44 7.529 7.529 7.558 -0.029 18716 1439 1 3 . 1 1 45 45 ALA N N 45 118.915 118.915 119.318 -0.403 18716 1440 1 3 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.930 0.085 18716 1441 1 3 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.286 0.128 18716 1442 1 3 . 1 1 45 45 ALA CB C 45 16.281 16.281 16.878 -0.598 18716 1443 1 3 . 1 1 45 45 ALA H H 45 7.928 7.928 7.672 0.256 18716 1444 1 3 . 1 1 46 46 VAL N N 46 119.540 119.540 118.587 0.953 18716 1445 1 3 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.142 -0.047 18716 1446 1 3 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.947 -0.158 18716 1447 1 3 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.426 -0.006 18716 1448 1 3 . 1 1 46 46 VAL H H 46 7.765 7.765 7.589 0.176 18716 1449 1 3 . 1 1 47 47 ASN N N 47 125.790 125.790 127.154 -1.364 18716 1450 1 3 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.758 -0.112 18716 1451 1 3 . 1 1 47 47 ASN CA C 47 50.997 50.997 53.016 -2.019 18716 1452 1 3 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.907 0.179 18716 1453 1 3 . 1 1 47 47 ASN H H 47 8.399 8.399 8.840 -0.441 18716 1454 1 3 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.366 -0.144 18716 1455 1 3 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.157 0.157 18716 1456 1 3 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.793 -0.052 18716 1457 1 3 . 1 1 49 49 GLY N N 49 108.290 108.290 107.720 0.570 18716 1458 1 3 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.181 0.349 18716 1459 1 3 . 1 1 49 49 GLY H H 49 8.620 8.620 8.597 0.023 18716 1460 1 3 . 1 1 50 50 LEU N N 50 121.728 121.728 121.614 0.114 18716 1461 1 3 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.162 -0.025 18716 1462 1 3 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.107 1.192 18716 1463 1 3 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.781 -0.217 18716 1464 1 3 . 1 1 50 50 LEU H H 50 7.765 7.765 7.520 0.245 18716 1465 1 3 . 1 1 51 51 LEU N N 51 112.040 112.040 118.649 -6.609 18716 1466 1 3 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.171 0.055 18716 1467 1 3 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.210 -0.703 18716 1468 1 3 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.168 0.322 18716 1469 1 3 . 1 1 51 51 LEU H H 51 7.412 7.412 7.803 -0.391 18716 1470 1 3 . 1 1 52 52 GLU N N 52 114.540 114.540 113.874 0.666 18716 1471 1 3 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.393 -0.338 18716 1472 1 3 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.192 3.192 18716 1473 1 3 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.382 1.676 18716 1474 1 3 . 1 1 52 52 GLU H H 52 7.500 7.500 7.511 -0.011 18716 1475 1 3 . 1 1 53 53 THR N N 53 122.978 122.978 111.372 11.606 18716 1476 1 3 . 1 1 53 53 THR HA H 53 4.402 4.402 4.541 -0.139 18716 1477 1 3 . 1 1 53 53 THR CA C 53 58.306 58.306 60.322 -2.015 18716 1478 1 3 . 1 1 53 53 THR CB C 53 73.222 73.222 71.937 1.285 18716 1479 1 3 . 1 1 53 53 THR H H 53 7.235 7.235 7.526 -0.291 18716 1480 1 3 . 1 1 54 54 SER N N 54 119.228 119.228 121.365 -2.137 18716 1481 1 3 . 1 1 54 54 SER HA H 54 4.043 4.043 4.255 -0.212 18716 1482 1 3 . 1 1 54 54 SER CA C 54 62.657 62.657 61.424 1.233 18716 1483 1 3 . 1 1 54 54 SER CB C 54 62.562 62.562 62.984 -0.422 18716 1484 1 3 . 1 1 54 54 SER H H 54 9.313 9.313 8.942 0.371 18716 1485 1 3 . 1 1 55 55 GLU N N 55 121.233 121.233 121.233 0.000 18716 1486 1 3 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.359 -0.290 18716 1487 1 3 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.645 1.030 18716 1488 1 3 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.573 -0.574 18716 1489 1 3 . 1 1 55 55 GLU H H 55 8.975 8.975 8.595 0.380 18716 1490 1 3 . 1 1 56 56 GLY N N 56 110.790 110.790 108.868 1.922 18716 1491 1 3 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.213 0.653 18716 1492 1 3 . 1 1 56 56 GLY H H 56 8.517 8.517 8.201 0.316 18716 1493 1 3 . 1 1 57 57 CYS N N 57 118.602 118.602 119.482 -0.880 18716 1494 1 3 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.069 -0.045 18716 1495 1 3 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.975 0.627 18716 1496 1 3 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.517 20.278 18716 1497 1 3 . 1 1 57 57 CYS H H 57 8.134 8.134 8.285 -0.151 18716 1498 1 3 . 1 1 58 58 ARG N N 58 119.540 119.540 118.739 0.801 18716 1499 1 3 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.506 0.044 18716 1500 1 3 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.210 0.497 18716 1501 1 3 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.756 -0.307 18716 1502 1 3 . 1 1 58 58 ARG H H 58 8.488 8.488 7.774 0.714 18716 1503 1 3 . 1 1 59 59 GLN N N 59 119.852 119.852 119.290 0.562 18716 1504 1 3 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.095 -0.043 18716 1505 1 3 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.725 0.675 18716 1506 1 3 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.479 -0.245 18716 1507 1 3 . 1 1 59 59 GLN H H 59 8.016 8.016 7.416 0.600 18716 1508 1 3 . 1 1 60 60 ILE N N 60 120.790 120.790 120.107 0.683 18716 1509 1 3 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.670 -0.058 18716 1510 1 3 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.259 0.392 18716 1511 1 3 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.915 -0.065 18716 1512 1 3 . 1 1 60 60 ILE H H 60 8.163 8.163 8.493 -0.330 18716 1513 1 3 . 1 1 61 61 LEU N N 61 118.915 118.915 118.170 0.745 18716 1514 1 3 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.177 -0.282 18716 1515 1 3 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.437 1.217 18716 1516 1 3 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.389 -0.613 18716 1517 1 3 . 1 1 61 61 LEU H H 61 8.370 8.370 7.797 0.573 18716 1518 1 3 . 1 1 62 62 GLY N N 62 104.332 104.332 106.856 -2.524 18716 1519 1 3 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.850 0.334 18716 1520 1 3 . 1 1 62 62 GLY H H 62 7.883 7.883 7.984 -0.101 18716 1521 1 3 . 1 1 63 63 GLN N N 63 119.852 119.852 119.039 0.813 18716 1522 1 3 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.189 -0.041 18716 1523 1 3 . 1 1 63 63 GLN CA C 63 57.873 57.873 58.267 -0.394 18716 1524 1 3 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.424 -0.309 18716 1525 1 3 . 1 1 63 63 GLN H H 63 7.795 7.795 7.630 0.165 18716 1526 1 3 . 1 1 64 64 LEU N N 64 117.040 117.040 119.207 -2.167 18716 1527 1 3 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.094 0.164 18716 1528 1 3 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.335 -0.152 18716 1529 1 3 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.721 2.477 18716 1530 1 3 . 1 1 64 64 LEU H H 64 8.252 8.252 7.470 0.782 18716 1531 1 3 . 1 1 65 65 GLN N N 65 118.915 118.915 117.846 1.069 18716 1532 1 3 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.805 -0.026 18716 1533 1 3 . 1 1 65 65 GLN CA C 65 61.547 61.547 59.672 1.875 18716 1534 1 3 . 1 1 65 65 GLN CB C 65 25.864 25.864 27.513 -1.649 18716 1535 1 3 . 1 1 65 65 GLN H H 65 8.104 8.104 7.973 0.131 18716 1536 1 3 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.322 0.061 18716 1537 1 3 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.486 1.431 18716 1538 1 3 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.267 -0.168 18716 1539 1 3 . 1 1 67 67 SER N N 67 111.415 111.415 113.111 -1.696 18716 1540 1 3 . 1 1 67 67 SER HA H 67 4.493 4.493 4.606 -0.113 18716 1541 1 3 . 1 1 67 67 SER CA C 67 59.696 59.696 57.912 1.784 18716 1542 1 3 . 1 1 67 67 SER CB C 67 64.031 64.031 62.608 1.423 18716 1543 1 3 . 1 1 67 67 SER H H 67 7.824 7.824 7.567 0.257 18716 1544 1 3 . 1 1 68 68 LEU N N 68 121.102 121.102 122.031 -0.929 18716 1545 1 3 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.918 -0.102 18716 1546 1 3 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.157 0.791 18716 1547 1 3 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.845 -0.076 18716 1548 1 3 . 1 1 68 68 LEU H H 68 7.647 7.647 7.174 0.473 18716 1549 1 3 . 1 1 69 69 GLN N N 69 116.415 116.415 116.794 -0.379 18716 1550 1 3 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.126 -0.057 18716 1551 1 3 . 1 1 69 69 GLN CA C 69 58.470 58.470 57.846 0.624 18716 1552 1 3 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.992 -0.564 18716 1553 1 3 . 1 1 69 69 GLN H H 69 8.060 8.060 8.344 -0.284 18716 1554 1 3 . 1 1 70 70 THR N N 70 106.728 106.728 113.401 -6.673 18716 1555 1 3 . 1 1 70 70 THR HA H 70 4.481 4.481 4.461 0.020 18716 1556 1 3 . 1 1 70 70 THR CA C 70 61.291 61.291 61.797 -0.506 18716 1557 1 3 . 1 1 70 70 THR CB C 70 69.415 69.415 68.216 1.199 18716 1558 1 3 . 1 1 70 70 THR H H 70 7.515 7.515 8.112 -0.597 18716 1559 1 3 . 1 1 71 71 GLY N N 71 109.540 109.540 110.332 -0.792 18716 1560 1 3 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.077 1.476 18716 1561 1 3 . 1 1 71 71 GLY H H 71 7.692 7.692 7.263 0.429 18716 1562 1 3 . 1 1 72 72 SER N N 72 114.540 114.540 116.623 -2.083 18716 1563 1 3 . 1 1 72 72 SER HA H 72 4.625 4.625 4.539 0.086 18716 1564 1 3 . 1 1 72 72 SER CA C 72 57.319 57.319 56.645 0.674 18716 1565 1 3 . 1 1 72 72 SER CB C 72 64.599 64.599 64.800 -0.202 18716 1566 1 3 . 1 1 72 72 SER H H 72 8.045 8.045 8.003 0.042 18716 1567 1 3 . 1 1 73 73 GLU N N 73 124.228 124.228 120.575 3.653 18716 1568 1 3 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.005 0.082 18716 1569 1 3 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.312 -0.932 18716 1570 1 3 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.593 -0.291 18716 1571 1 3 . 1 1 73 73 GLU H H 73 9.092 9.092 8.961 0.131 18716 1572 1 3 . 1 1 74 74 GLU N N 74 120.165 120.165 119.177 0.988 18716 1573 1 3 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.458 -0.200 18716 1574 1 3 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.385 0.921 18716 1575 1 3 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.632 -0.170 18716 1576 1 3 . 1 1 74 74 GLU H H 74 8.665 8.665 8.065 0.600 18716 1577 1 3 . 1 1 75 75 LEU N N 75 121.415 121.415 121.110 0.305 18716 1578 1 3 . 1 1 75 75 LEU HA H 75 4.183 4.183 3.988 0.195 18716 1579 1 3 . 1 1 75 75 LEU CA C 75 57.932 57.932 58.209 -0.277 18716 1580 1 3 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.027 -0.849 18716 1581 1 3 . 1 1 75 75 LEU H H 75 7.765 7.765 7.780 -0.015 18716 1582 1 3 . 1 1 76 76 ARG N N 76 119.228 119.228 118.446 0.782 18716 1583 1 3 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.883 0.050 18716 1584 1 3 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.326 -0.644 18716 1585 1 3 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.290 -1.093 18716 1586 1 3 . 1 1 76 76 ARG H H 76 7.868 7.868 8.444 -0.576 18716 1587 1 3 . 1 1 77 77 SER N N 77 114.228 114.228 115.488 -1.260 18716 1588 1 3 . 1 1 77 77 SER HA H 77 4.263 4.263 4.192 0.071 18716 1589 1 3 . 1 1 77 77 SER CA C 77 62.668 62.668 62.717 -0.049 18716 1590 1 3 . 1 1 77 77 SER CB C 77 62.849 62.849 63.022 -0.173 18716 1591 1 3 . 1 1 77 77 SER H H 77 8.576 8.576 7.860 0.716 18716 1592 1 3 . 1 1 78 78 LEU N N 78 125.790 125.790 123.859 1.931 18716 1593 1 3 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.286 0.135 18716 1594 1 3 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.173 0.789 18716 1595 1 3 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.254 0.664 18716 1596 1 3 . 1 1 78 78 LEU H H 78 8.458 8.458 8.275 0.183 18716 1597 1 3 . 1 1 79 79 TYR N N 79 119.852 119.852 119.381 0.471 18716 1598 1 3 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.076 -0.415 18716 1599 1 3 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.639 1.163 18716 1600 1 3 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.266 0.928 18716 1601 1 3 . 1 1 79 79 TYR H H 79 8.694 8.694 8.562 0.132 18716 1602 1 3 . 1 1 80 80 ASN N N 80 117.040 117.040 117.675 -0.635 18716 1603 1 3 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.423 -0.139 18716 1604 1 3 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.771 -0.984 18716 1605 1 3 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.877 -1.038 18716 1606 1 3 . 1 1 80 80 ASN H H 80 8.871 8.871 7.788 1.083 18716 1607 1 3 . 1 1 81 81 THR N N 81 115.790 115.790 118.286 -2.496 18716 1608 1 3 . 1 1 81 81 THR HA H 81 3.945 3.945 4.236 -0.291 18716 1609 1 3 . 1 1 81 81 THR CA C 81 67.855 67.855 67.185 0.670 18716 1610 1 3 . 1 1 81 81 THR CB C 81 69.140 69.140 68.884 0.256 18716 1611 1 3 . 1 1 81 81 THR H H 81 8.119 8.119 8.363 -0.244 18716 1612 1 3 . 1 1 82 82 ILE N N 82 121.102 121.102 120.415 0.687 18716 1613 1 3 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.821 -0.153 18716 1614 1 3 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.192 -0.673 18716 1615 1 3 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.490 -1.004 18716 1616 1 3 . 1 1 82 82 ILE H H 82 8.090 8.090 8.700 -0.610 18716 1617 1 3 . 1 1 83 83 ALA N N 83 125.165 125.165 123.247 1.918 18716 1618 1 3 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.970 -0.079 18716 1619 1 3 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.261 0.594 18716 1620 1 3 . 1 1 83 83 ALA CB C 83 17.841 17.841 18.067 -0.226 18716 1621 1 3 . 1 1 83 83 ALA H H 83 8.782 8.782 7.091 1.691 18716 1622 1 3 . 1 1 84 84 VAL N N 84 117.665 117.665 119.297 -1.632 18716 1623 1 3 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.511 -0.183 18716 1624 1 3 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.282 1.183 18716 1625 1 3 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.246 -0.551 18716 1626 1 3 . 1 1 84 84 VAL H H 84 7.795 7.795 7.605 0.190 18716 1627 1 3 . 1 1 85 85 LEU N N 85 122.040 122.040 120.654 1.386 18716 1628 1 3 . 1 1 85 85 LEU HA H 85 3.815 3.815 4.017 -0.202 18716 1629 1 3 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.809 0.501 18716 1630 1 3 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.922 0.226 18716 1631 1 3 . 1 1 85 85 LEU H H 85 8.163 8.163 8.056 0.107 18716 1632 1 3 . 1 1 86 86 TYR N N 86 118.915 118.915 120.659 -1.744 18716 1633 1 3 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.023 -0.111 18716 1634 1 3 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.537 1.281 18716 1635 1 3 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.961 0.326 18716 1636 1 3 . 1 1 86 86 TYR H H 86 9.062 9.062 8.034 1.028 18716 1637 1 3 . 1 1 87 87 CYS N N 87 116.102 116.102 115.513 0.589 18716 1638 1 3 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.788 0.006 18716 1639 1 3 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.336 2.630 18716 1640 1 3 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.198 20.359 18716 1641 1 3 . 1 1 87 87 CYS H H 87 7.515 7.515 8.428 -0.913 18716 1642 1 3 . 1 1 88 88 VAL N N 88 119.978 119.978 118.900 1.078 18716 1643 1 3 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.771 0.107 18716 1644 1 3 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.629 0.792 18716 1645 1 3 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.910 -0.323 18716 1646 1 3 . 1 1 88 88 VAL H H 88 8.429 8.429 7.361 1.068 18716 1647 1 3 . 1 1 89 89 HIS N N 89 118.915 118.915 115.242 3.673 18716 1648 1 3 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.520 0.355 18716 1649 1 3 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.600 0.520 18716 1650 1 3 . 1 1 89 89 HIS CB C 89 29.083 29.083 28.966 0.117 18716 1651 1 3 . 1 1 89 89 HIS H H 89 8.797 8.797 7.210 1.587 18716 1652 1 3 . 1 1 90 90 GLN N N 90 116.728 116.728 116.731 -0.003 18716 1653 1 3 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.315 0.070 18716 1654 1 3 . 1 1 90 90 GLN CA C 90 55.289 55.289 56.514 -1.225 18716 1655 1 3 . 1 1 90 90 GLN CB C 90 30.952 30.952 30.557 0.395 18716 1656 1 3 . 1 1 90 90 GLN H H 90 7.986 7.986 7.535 0.451 18716 1657 1 3 . 1 1 91 91 ARG N N 91 115.165 115.165 115.665 -0.500 18716 1658 1 3 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.297 -0.284 18716 1659 1 3 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.608 0.575 18716 1660 1 3 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.314 -5.265 18716 1661 1 3 . 1 1 91 91 ARG H H 91 7.883 7.883 7.603 0.280 18716 1662 1 3 . 1 1 92 92 ILE N N 92 120.087 120.087 122.560 -2.473 18716 1663 1 3 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.009 -0.024 18716 1664 1 3 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.638 -1.982 18716 1665 1 3 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.325 0.605 18716 1666 1 3 . 1 1 92 92 ILE H H 92 8.335 8.335 7.634 0.701 18716 1667 1 3 . 1 1 93 93 ASP N N 93 129.228 129.228 127.912 1.316 18716 1668 1 3 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.742 -0.257 18716 1669 1 3 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.471 2.572 18716 1670 1 3 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.533 -0.137 18716 1671 1 3 . 1 1 93 93 ASP H H 93 8.620 8.620 8.547 0.073 18716 1672 1 3 . 1 1 94 94 VAL N N 94 115.790 115.790 114.782 1.008 18716 1673 1 3 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.344 0.289 18716 1674 1 3 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.417 -3.297 18716 1675 1 3 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.672 2.840 18716 1676 1 3 . 1 1 94 94 VAL H H 94 7.751 7.751 7.433 0.318 18716 1677 1 3 . 1 1 95 95 LYS N N 95 118.915 118.915 120.463 -1.548 18716 1678 1 3 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.407 -0.014 18716 1679 1 3 . 1 1 95 95 LYS CA C 95 56.671 56.671 56.715 -0.044 18716 1680 1 3 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.394 0.614 18716 1681 1 3 . 1 1 95 95 LYS H H 95 9.239 9.239 8.465 0.774 18716 1682 1 3 . 1 1 96 96 ASP N N 96 112.040 112.040 115.020 -2.980 18716 1683 1 3 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.391 0.171 18716 1684 1 3 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.272 0.557 18716 1685 1 3 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.323 1.281 18716 1686 1 3 . 1 1 96 96 ASP H H 96 7.412 7.412 7.516 -0.104 18716 1687 1 3 . 1 1 97 97 THR N N 97 109.540 109.540 114.309 -4.769 18716 1688 1 3 . 1 1 97 97 THR HA H 97 3.661 3.661 3.956 -0.295 18716 1689 1 3 . 1 1 97 97 THR CA C 97 65.947 65.947 67.220 -1.273 18716 1690 1 3 . 1 1 97 97 THR CB C 97 70.285 70.285 68.887 1.398 18716 1691 1 3 . 1 1 97 97 THR H H 97 7.250 7.250 8.258 -1.008 18716 1692 1 3 . 1 1 98 98 LYS N N 98 121.102 121.102 122.581 -1.479 18716 1693 1 3 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.965 -0.020 18716 1694 1 3 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.809 -0.181 18716 1695 1 3 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.887 0.040 18716 1696 1 3 . 1 1 98 98 LYS H H 98 7.868 7.868 8.139 -0.271 18716 1697 1 3 . 1 1 99 99 GLU N N 99 119.228 119.228 118.478 0.750 18716 1698 1 3 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.071 0.006 18716 1699 1 3 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.179 0.616 18716 1700 1 3 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.618 0.628 18716 1701 1 3 . 1 1 99 99 GLU H H 99 8.384 8.384 8.458 -0.074 18716 1702 1 3 . 1 1 100 100 ALA N N 100 118.915 118.915 122.811 -3.896 18716 1703 1 3 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.063 0.323 18716 1704 1 3 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.962 0.434 18716 1705 1 3 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.494 1.265 18716 1706 1 3 . 1 1 100 100 ALA H H 100 7.382 7.382 7.337 0.045 18716 1707 1 3 . 1 1 101 101 LEU N N 101 117.978 117.978 118.795 -0.817 18716 1708 1 3 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.767 0.253 18716 1709 1 3 . 1 1 101 101 LEU CA C 101 57.975 57.975 58.164 -0.189 18716 1710 1 3 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.416 0.077 18716 1711 1 3 . 1 1 101 101 LEU H H 101 8.119 8.119 8.535 -0.416 18716 1712 1 3 . 1 1 102 102 ASP N N 102 120.478 120.478 117.399 3.079 18716 1713 1 3 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.339 0.028 18716 1714 1 3 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.538 -0.186 18716 1715 1 3 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.773 -1.050 18716 1716 1 3 . 1 1 102 102 ASP H H 102 8.679 8.679 7.995 0.684 18716 1717 1 3 . 1 1 103 103 LYS N N 103 120.165 120.165 117.447 2.718 18716 1718 1 3 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.295 -0.131 18716 1719 1 3 . 1 1 103 103 LYS CA C 103 58.364 58.364 58.184 0.180 18716 1720 1 3 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.562 -1.030 18716 1721 1 3 . 1 1 103 103 LYS H H 103 8.207 8.207 7.912 0.295 18716 1722 1 3 . 1 1 104 104 ILE N N 104 119.852 119.852 120.775 -0.923 18716 1723 1 3 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.955 -0.145 18716 1724 1 3 . 1 1 104 104 ILE CA C 104 64.608 64.608 63.175 1.433 18716 1725 1 3 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.003 0.431 18716 1726 1 3 . 1 1 104 104 ILE H H 104 8.163 8.163 7.889 0.274 18716 1727 1 3 . 1 1 105 105 GLU N N 105 121.415 121.415 120.863 0.552 18716 1728 1 3 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.043 -0.008 18716 1729 1 3 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.892 -0.258 18716 1730 1 3 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.779 2.977 18716 1731 1 3 . 1 1 105 105 GLU H H 105 8.001 8.001 8.258 -0.257 18716 1732 1 3 . 1 1 106 106 GLU N N 106 119.228 119.228 119.142 0.086 18716 1733 1 3 . 1 1 106 106 GLU HA H 106 4.090 4.090 3.990 0.100 18716 1734 1 3 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.297 -0.030 18716 1735 1 3 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.588 0.009 18716 1736 1 3 . 1 1 106 106 GLU H H 106 8.031 8.031 7.729 0.302 18716 1737 1 3 . 1 1 107 107 GLU N N 107 118.915 118.915 119.013 -0.098 18716 1738 1 3 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.012 0.061 18716 1739 1 3 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.471 -0.130 18716 1740 1 3 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.620 0.250 18716 1741 1 3 . 1 1 107 107 GLU H H 107 8.016 8.016 7.789 0.227 18716 1742 1 3 . 1 1 108 108 GLN N N 108 118.290 118.290 118.312 -0.022 18716 1743 1 3 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.078 0.069 18716 1744 1 3 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.051 0.356 18716 1745 1 3 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.323 0.522 18716 1746 1 3 . 1 1 108 108 GLN H H 108 8.252 8.252 7.686 0.566 18716 1747 1 3 . 1 1 109 109 ASN N N 109 118.290 118.290 117.624 0.666 18716 1748 1 3 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.429 0.188 18716 1749 1 3 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.427 -1.545 18716 1750 1 3 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.659 -0.134 18716 1751 1 3 . 1 1 109 109 ASN H H 109 8.252 8.252 8.008 0.244 18716 1752 1 3 . 1 1 110 110 LYS N N 110 120.478 120.478 118.172 2.306 18716 1753 1 3 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.285 -0.055 18716 1754 1 3 . 1 1 110 110 LYS CA C 110 58.311 58.311 57.921 0.390 18716 1755 1 3 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.648 0.043 18716 1756 1 3 . 1 1 110 110 LYS H H 110 8.031 8.031 7.458 0.573 18716 1757 1 3 . 1 1 111 111 SER N N 111 114.540 114.540 116.127 -1.587 18716 1758 1 3 . 1 1 111 111 SER HA H 111 4.368 4.368 4.265 0.103 18716 1759 1 3 . 1 1 111 111 SER CA C 111 59.764 59.764 61.547 -1.783 18716 1760 1 3 . 1 1 111 111 SER CB C 111 63.442 63.442 63.126 0.316 18716 1761 1 3 . 1 1 111 111 SER H H 111 8.031 8.031 7.709 0.322 18716 1762 1 3 . 1 1 112 112 LYS N N 112 122.040 122.040 121.447 0.593 18716 1763 1 3 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.083 0.162 18716 1764 1 3 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.878 -1.549 18716 1765 1 3 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.422 0.353 18716 1766 1 3 . 1 1 112 112 LYS H H 112 7.957 7.957 7.952 0.005 18716 1767 1 3 . 1 1 113 113 LYS N N 113 120.790 120.790 116.552 4.238 18716 1768 1 3 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.119 0.031 18716 1769 1 3 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.674 0.460 18716 1770 1 3 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.550 0.216 18716 1771 1 3 . 1 1 113 113 LYS H H 113 8.016 8.016 7.639 0.377 18716 1772 1 3 . 1 1 114 114 LYS N N 114 121.728 121.728 117.155 4.573 18716 1773 1 3 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.508 -0.245 18716 1774 1 3 . 1 1 114 114 LYS CA C 114 57.185 57.185 55.452 1.733 18716 1775 1 3 . 1 1 114 114 LYS CB C 114 32.857 32.857 31.981 0.876 18716 1776 1 3 . 1 1 114 114 LYS H H 114 8.119 8.119 7.337 0.782 18716 1777 1 3 . 1 1 115 115 ALA N N 115 124.228 124.228 121.737 2.491 18716 1778 1 3 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.378 -0.110 18716 1779 1 3 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.070 -1.035 18716 1780 1 3 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.346 -0.308 18716 1781 1 3 . 1 1 115 115 ALA H H 115 8.178 8.178 7.691 0.487 18716 1782 1 3 . 1 1 116 116 GLN N N 116 119.228 119.228 118.947 0.281 18716 1783 1 3 . 1 1 116 116 GLN HA H 116 4.248 4.248 3.972 0.276 18716 1784 1 3 . 1 1 116 116 GLN CA C 116 56.549 56.549 59.454 -2.905 18716 1785 1 3 . 1 1 116 116 GLN H H 116 8.237 8.237 8.562 -0.325 18716 1786 1 3 . 1 1 117 117 GLN N N 117 120.478 120.478 118.758 1.720 18716 1787 1 3 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.053 0.216 18716 1788 1 3 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.852 -2.528 18716 1789 1 3 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.230 1.376 18716 1790 1 3 . 1 1 117 117 GLN H H 117 8.266 8.266 8.509 -0.243 18716 1791 1 3 . 1 1 118 118 ALA N N 118 124.852 124.852 120.387 4.465 18716 1792 1 3 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.256 0.020 18716 1793 1 3 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.401 -0.564 18716 1794 1 3 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.535 0.527 18716 1795 1 3 . 1 1 118 118 ALA H H 118 8.266 8.266 7.710 0.556 18716 1796 1 3 . 1 1 119 119 ALA N N 119 122.978 122.978 120.952 2.026 18716 1797 1 3 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.008 0.286 18716 1798 1 3 . 1 1 119 119 ALA CA C 119 52.637 52.637 54.487 -1.851 18716 1799 1 3 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.919 0.282 18716 1800 1 3 . 1 1 119 119 ALA H H 119 8.163 8.163 8.162 0.001 18716 1801 1 3 . 1 1 120 120 ALA N N 120 122.665 122.665 116.438 6.227 18716 1802 1 3 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.296 -0.019 18716 1803 1 3 . 1 1 120 120 ALA CA C 120 52.736 52.736 51.857 0.879 18716 1804 1 3 . 1 1 120 120 ALA CB C 120 19.167 19.167 18.896 0.271 18716 1805 1 3 . 1 1 120 120 ALA H H 120 8.163 8.163 7.651 0.512 18716 1806 1 3 . 1 1 121 121 ASP N N 121 119.228 119.228 119.730 -0.502 18716 1807 1 3 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.852 -0.170 18716 1808 1 3 . 1 1 121 121 ASP CA C 121 54.264 54.264 53.843 0.421 18716 1809 1 3 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.900 0.228 18716 1810 1 3 . 1 1 121 121 ASP H H 121 8.252 8.252 7.928 0.324 18716 1811 1 3 . 1 1 122 122 THR N N 122 113.602 113.602 114.819 -1.217 18716 1812 1 3 . 1 1 122 122 THR HA H 122 4.358 4.358 4.469 -0.111 18716 1813 1 3 . 1 1 122 122 THR CA C 122 61.971 61.971 61.288 0.684 18716 1814 1 3 . 1 1 122 122 THR CB C 122 69.586 69.586 69.528 0.058 18716 1815 1 3 . 1 1 122 122 THR H H 122 8.075 8.075 8.046 0.029 18716 1816 1 3 . 1 1 123 123 GLY N N 123 110.478 110.478 112.932 -2.454 18716 1817 1 3 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.844 0.759 18716 1818 1 3 . 1 1 123 123 GLY H H 123 8.414 8.414 8.576 -0.162 18716 1819 1 3 . 1 1 124 124 ASN N N 124 118.602 118.602 122.201 -3.599 18716 1820 1 3 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.568 0.040 18716 1821 1 3 . 1 1 124 124 ASN CA C 124 54.733 54.733 53.554 1.179 18716 1822 1 3 . 1 1 124 124 ASN CB C 124 38.538 38.538 38.914 -0.376 18716 1823 1 3 . 1 1 124 124 ASN H H 124 8.266 8.266 8.622 -0.356 18716 1824 1 3 . 1 1 125 125 ASN N N 125 119.228 119.228 120.323 -1.095 18716 1825 1 3 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.706 0.018 18716 1826 1 3 . 1 1 125 125 ASN CA C 125 53.453 53.453 52.686 0.767 18716 1827 1 3 . 1 1 125 125 ASN CB C 125 38.813 38.813 40.408 -1.595 18716 1828 1 3 . 1 1 125 125 ASN H H 125 8.443 8.443 8.360 0.083 18716 1829 1 3 . 1 1 126 126 SER N N 126 115.790 115.790 115.412 0.378 18716 1830 1 3 . 1 1 126 126 SER HA H 126 4.388 4.388 4.590 -0.202 18716 1831 1 3 . 1 1 126 126 SER CA C 126 58.851 58.851 58.651 0.200 18716 1832 1 3 . 1 1 126 126 SER CB C 126 63.926 63.926 63.566 0.360 18716 1833 1 3 . 1 1 126 126 SER H H 126 8.266 8.266 8.499 -0.233 18716 1834 1 3 . 1 1 127 127 GLN N N 127 121.728 121.728 125.835 -4.107 18716 1835 1 3 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.427 -0.104 18716 1836 1 3 . 1 1 127 127 GLN CA C 127 56.223 56.223 56.158 0.065 18716 1837 1 3 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.632 -0.464 18716 1838 1 3 . 1 1 127 127 GLN H H 127 8.355 8.355 8.670 -0.315 18716 1839 1 3 . 1 1 128 128 VAL N N 128 119.852 119.852 121.802 -1.950 18716 1840 1 3 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.577 -0.468 18716 1841 1 3 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.810 0.855 18716 1842 1 3 . 1 1 128 128 VAL CB C 128 32.769 32.769 33.028 -0.259 18716 1843 1 3 . 1 1 128 128 VAL H H 128 7.986 7.986 8.235 -0.249 18716 1844 1 3 . 1 1 129 129 SER N N 129 117.978 117.978 121.326 -3.348 18716 1845 1 3 . 1 1 129 129 SER HA H 129 4.136 4.136 4.624 -0.488 18716 1846 1 3 . 1 1 129 129 SER CA C 129 58.404 58.404 57.857 0.547 18716 1847 1 3 . 1 1 129 129 SER CB C 129 63.755 63.755 64.376 -0.621 18716 1848 1 3 . 1 1 129 129 SER H H 129 8.252 8.252 8.413 -0.161 18716 1849 1 3 . 1 1 130 130 GLN N N 130 121.728 121.728 123.245 -1.517 18716 1850 1 3 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.783 -0.428 18716 1851 1 3 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.592 0.558 18716 1852 1 3 . 1 1 130 130 GLN CB C 130 29.373 29.373 31.037 -1.664 18716 1853 1 3 . 1 1 130 130 GLN H H 130 8.355 8.355 8.581 -0.226 18716 1854 1 3 . 1 1 131 131 ASN N N 131 118.290 118.290 118.899 -0.609 18716 1855 1 3 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.968 -0.336 18716 1856 1 3 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.474 1.094 18716 1857 1 3 . 1 1 131 131 ASN H H 131 8.252 8.252 8.658 -0.406 18716 1858 1 4 . 1 1 3 3 ALA N N 3 123.842 123.842 121.769 2.073 18716 1859 1 4 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.516 -0.188 18716 1860 1 4 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.127 0.410 18716 1861 1 4 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.588 -2.337 18716 1862 1 4 . 1 1 3 3 ALA H H 3 8.183 8.183 8.079 0.104 18716 1863 1 4 . 1 1 4 4 ARG N N 4 120.165 120.165 119.966 0.199 18716 1864 1 4 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.126 0.130 18716 1865 1 4 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.949 0.016 18716 1866 1 4 . 1 1 4 4 ARG CB C 4 30.961 30.961 28.992 1.969 18716 1867 1 4 . 1 1 4 4 ARG H H 4 8.429 8.429 8.365 0.064 18716 1868 1 4 . 1 1 5 5 ALA N N 5 125.165 125.165 123.103 2.062 18716 1869 1 4 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.373 -0.091 18716 1870 1 4 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.651 0.720 18716 1871 1 4 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.058 0.614 18716 1872 1 4 . 1 1 5 5 ALA H H 5 8.370 8.370 8.146 0.224 18716 1873 1 4 . 1 1 6 6 SER N N 6 114.540 114.540 118.179 -3.639 18716 1874 1 4 . 1 1 6 6 SER HA H 6 4.479 4.479 4.450 0.029 18716 1875 1 4 . 1 1 6 6 SER CA C 6 57.804 57.804 58.163 -0.358 18716 1876 1 4 . 1 1 6 6 SER CB C 6 64.034 64.034 63.880 0.154 18716 1877 1 4 . 1 1 6 6 SER H H 6 8.134 8.134 8.218 -0.084 18716 1878 1 4 . 1 1 7 7 VAL N N 7 121.415 121.415 125.908 -4.493 18716 1879 1 4 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.903 -0.286 18716 1880 1 4 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.325 1.386 18716 1881 1 4 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.026 -0.090 18716 1882 1 4 . 1 1 7 7 VAL H H 7 8.119 8.119 8.637 -0.518 18716 1883 1 4 . 1 1 8 8 LEU N N 8 115.478 115.478 117.081 -1.603 18716 1884 1 4 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.839 0.075 18716 1885 1 4 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.158 -0.683 18716 1886 1 4 . 1 1 8 8 LEU CB C 8 44.314 44.314 44.250 0.064 18716 1887 1 4 . 1 1 8 8 LEU H H 8 7.382 7.382 7.648 -0.266 18716 1888 1 4 . 1 1 9 9 SER N N 9 118.290 118.290 118.665 -0.375 18716 1889 1 4 . 1 1 9 9 SER HA H 9 4.606 4.606 4.600 0.006 18716 1890 1 4 . 1 1 9 9 SER CA C 9 57.197 57.197 57.668 -0.471 18716 1891 1 4 . 1 1 9 9 SER CB C 9 65.426 65.426 65.372 0.054 18716 1892 1 4 . 1 1 9 9 SER H H 9 9.166 9.166 9.049 0.117 18716 1893 1 4 . 1 1 10 10 GLY N N 10 109.228 109.228 108.592 0.636 18716 1894 1 4 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.022 0.652 18716 1895 1 4 . 1 1 10 10 GLY H H 10 8.959 8.959 8.659 0.300 18716 1896 1 4 . 1 1 11 11 GLY N N 11 111.102 111.102 109.922 1.180 18716 1897 1 4 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.445 0.216 18716 1898 1 4 . 1 1 11 11 GLY H H 11 8.782 8.782 7.813 0.969 18716 1899 1 4 . 1 1 12 12 GLU N N 12 120.165 120.165 122.095 -1.930 18716 1900 1 4 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.023 -0.073 18716 1901 1 4 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.682 0.414 18716 1902 1 4 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.518 1.772 18716 1903 1 4 . 1 1 12 12 GLU H H 12 7.751 7.751 7.545 0.206 18716 1904 1 4 . 1 1 13 13 LEU N N 13 121.415 121.415 121.760 -0.345 18716 1905 1 4 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.033 0.075 18716 1906 1 4 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.335 -0.273 18716 1907 1 4 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.846 -0.910 18716 1908 1 4 . 1 1 13 13 LEU H H 13 8.340 8.340 8.272 0.068 18716 1909 1 4 . 1 1 14 14 ASP N N 14 116.415 116.415 118.939 -2.524 18716 1910 1 4 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.352 0.041 18716 1911 1 4 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.706 -0.570 18716 1912 1 4 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.687 0.399 18716 1913 1 4 . 1 1 14 14 ASP H H 14 7.574 7.574 7.820 -0.246 18716 1914 1 4 . 1 1 15 15 LYS N N 15 115.478 115.478 119.394 -3.916 18716 1915 1 4 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.104 -0.058 18716 1916 1 4 . 1 1 15 15 LYS CA C 15 58.402 58.402 58.868 -0.466 18716 1917 1 4 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.141 0.218 18716 1918 1 4 . 1 1 15 15 LYS H H 15 7.117 7.117 7.438 -0.321 18716 1919 1 4 . 1 1 16 16 TRP N N 16 121.693 121.693 121.814 -0.121 18716 1920 1 4 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.157 -0.132 18716 1921 1 4 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.889 -0.603 18716 1922 1 4 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.378 1.734 18716 1923 1 4 . 1 1 16 16 TRP H H 16 8.646 8.646 8.662 -0.016 18716 1924 1 4 . 1 1 17 17 GLU N N 17 127.710 127.710 116.186 11.524 18716 1925 1 4 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.370 0.321 18716 1926 1 4 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.685 -1.916 18716 1927 1 4 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.467 0.278 18716 1928 1 4 . 1 1 17 17 GLU H H 17 7.571 7.571 8.184 -0.613 18716 1929 1 4 . 1 1 18 18 LYS N N 18 115.790 115.790 118.923 -3.133 18716 1930 1 4 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.171 0.326 18716 1931 1 4 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.445 -1.876 18716 1932 1 4 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.138 0.801 18716 1933 1 4 . 1 1 18 18 LYS H H 18 7.456 7.456 7.323 0.133 18716 1934 1 4 . 1 1 19 19 ILE N N 19 124.228 124.228 119.945 4.283 18716 1935 1 4 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.959 -0.402 18716 1936 1 4 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.759 -0.639 18716 1937 1 4 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.752 0.430 18716 1938 1 4 . 1 1 19 19 ILE H H 19 7.633 7.633 8.086 -0.453 18716 1939 1 4 . 1 1 20 20 ARG N N 20 125.790 125.790 124.068 1.722 18716 1940 1 4 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.438 -0.010 18716 1941 1 4 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.933 1.562 18716 1942 1 4 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.992 -0.455 18716 1943 1 4 . 1 1 20 20 ARG H H 20 8.031 8.031 8.306 -0.275 18716 1944 1 4 . 1 1 21 21 LEU N N 21 120.165 120.165 120.879 -0.714 18716 1945 1 4 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.871 -0.440 18716 1946 1 4 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.989 1.246 18716 1947 1 4 . 1 1 21 21 LEU CB C 21 41.554 41.554 42.050 -0.496 18716 1948 1 4 . 1 1 21 21 LEU H H 21 7.810 7.810 8.127 -0.317 18716 1949 1 4 . 1 1 22 22 ARG N N 22 119.540 119.540 115.360 4.180 18716 1950 1 4 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.666 0.179 18716 1951 1 4 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.201 -0.357 18716 1952 1 4 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.435 -0.818 18716 1953 1 4 . 1 1 22 22 ARG H H 22 8.974 8.974 7.514 1.460 18716 1954 1 4 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.354 0.006 18716 1955 1 4 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.916 -1.480 18716 1956 1 4 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.057 -0.492 18716 1957 1 4 . 1 1 24 24 GLY N N 24 112.665 112.665 107.125 5.540 18716 1958 1 4 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.541 1.264 18716 1959 1 4 . 1 1 24 24 GLY H H 24 9.138 9.138 8.092 1.046 18716 1960 1 4 . 1 1 25 25 GLY N N 25 107.978 107.978 108.458 -0.480 18716 1961 1 4 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.554 0.018 18716 1962 1 4 . 1 1 25 25 GLY H H 25 8.134 8.134 7.419 0.715 18716 1963 1 4 . 1 1 26 26 LYS N N 26 117.665 117.665 119.273 -1.608 18716 1964 1 4 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.486 -0.222 18716 1965 1 4 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.328 0.525 18716 1966 1 4 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.612 1.444 18716 1967 1 4 . 1 1 26 26 LYS H H 26 8.665 8.665 8.209 0.456 18716 1968 1 4 . 1 1 27 27 LYS N N 27 117.925 117.925 119.475 -1.550 18716 1969 1 4 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.547 -0.236 18716 1970 1 4 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.529 1.681 18716 1971 1 4 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.877 -0.999 18716 1972 1 4 . 1 1 27 27 LYS H H 27 7.817 7.817 7.647 0.170 18716 1973 1 4 . 1 1 28 28 GLN N N 28 122.978 122.978 120.496 2.482 18716 1974 1 4 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.352 0.464 18716 1975 1 4 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.017 -0.544 18716 1976 1 4 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.190 3.864 18716 1977 1 4 . 1 1 28 28 GLN H H 28 8.458 8.458 8.352 0.106 18716 1978 1 4 . 1 1 29 29 TYR N N 29 119.540 119.540 119.424 0.116 18716 1979 1 4 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.486 -0.754 18716 1980 1 4 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.962 2.048 18716 1981 1 4 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.463 -2.247 18716 1982 1 4 . 1 1 29 29 TYR H H 29 7.824 7.824 8.598 -0.774 18716 1983 1 4 . 1 1 30 30 LYS N N 30 117.978 117.978 121.041 -3.063 18716 1984 1 4 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.920 0.296 18716 1985 1 4 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.079 -1.014 18716 1986 1 4 . 1 1 30 30 LYS CB C 30 38.588 38.588 35.976 2.612 18716 1987 1 4 . 1 1 30 30 LYS H H 30 10.610 10.610 9.196 1.414 18716 1988 1 4 . 1 1 31 31 LEU N N 31 128.602 128.602 124.672 3.930 18716 1989 1 4 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.011 0.170 18716 1990 1 4 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.331 0.903 18716 1991 1 4 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.822 -0.820 18716 1992 1 4 . 1 1 31 31 LEU H H 31 9.991 9.991 8.907 1.084 18716 1993 1 4 . 1 1 32 32 LYS N N 32 115.165 115.165 118.720 -3.555 18716 1994 1 4 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.933 0.212 18716 1995 1 4 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.575 -0.478 18716 1996 1 4 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.873 -0.314 18716 1997 1 4 . 1 1 32 32 LYS H H 32 8.399 8.399 8.559 -0.160 18716 1998 1 4 . 1 1 33 33 HIS N N 33 119.540 119.540 117.027 2.513 18716 1999 1 4 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.671 -0.067 18716 2000 1 4 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.680 3.211 18716 2001 1 4 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.453 2.331 18716 2002 1 4 . 1 1 33 33 HIS H H 33 8.193 8.193 7.956 0.237 18716 2003 1 4 . 1 1 34 34 ILE N N 34 119.540 119.540 120.995 -1.455 18716 2004 1 4 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.901 -0.107 18716 2005 1 4 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.849 -1.000 18716 2006 1 4 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.598 -0.619 18716 2007 1 4 . 1 1 34 34 ILE H H 34 7.898 7.898 7.504 0.394 18716 2008 1 4 . 1 1 35 35 VAL N N 35 122.040 122.040 118.890 3.150 18716 2009 1 4 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.767 -0.155 18716 2010 1 4 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.791 -0.045 18716 2011 1 4 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.311 0.831 18716 2012 1 4 . 1 1 35 35 VAL H H 35 7.706 7.706 8.515 -0.809 18716 2013 1 4 . 1 1 36 36 TRP N N 36 119.986 119.986 122.283 -2.297 18716 2014 1 4 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.229 0.004 18716 2015 1 4 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.007 0.103 18716 2016 1 4 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.330 -0.918 18716 2017 1 4 . 1 1 36 36 TRP H H 36 8.452 8.452 7.721 0.731 18716 2018 1 4 . 1 1 37 37 ALA N N 37 120.478 120.478 120.705 -0.227 18716 2019 1 4 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.502 -0.110 18716 2020 1 4 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.254 -0.117 18716 2021 1 4 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.167 -0.737 18716 2022 1 4 . 1 1 37 37 ALA H H 37 8.311 8.311 8.275 0.036 18716 2023 1 4 . 1 1 38 38 SER N N 38 111.415 111.415 113.763 -2.348 18716 2024 1 4 . 1 1 38 38 SER HA H 38 3.906 3.906 3.995 -0.089 18716 2025 1 4 . 1 1 38 38 SER CA C 38 62.801 62.801 62.029 0.772 18716 2026 1 4 . 1 1 38 38 SER CB C 38 62.829 62.829 63.066 -0.238 18716 2027 1 4 . 1 1 38 38 SER H H 38 8.259 8.259 7.749 0.510 18716 2028 1 4 . 1 1 39 39 ARG N N 39 119.852 119.852 121.256 -1.404 18716 2029 1 4 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.049 0.097 18716 2030 1 4 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.627 -0.217 18716 2031 1 4 . 1 1 39 39 ARG CB C 39 30.008 30.008 29.838 0.170 18716 2032 1 4 . 1 1 39 39 ARG H H 39 7.559 7.559 7.531 0.028 18716 2033 1 4 . 1 1 40 40 GLU N N 40 121.102 121.102 119.876 1.226 18716 2034 1 4 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.722 0.065 18716 2035 1 4 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.734 -0.453 18716 2036 1 4 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.697 0.977 18716 2037 1 4 . 1 1 40 40 GLU H H 40 8.222 8.222 7.348 0.874 18716 2038 1 4 . 1 1 41 41 LEU N N 41 117.040 117.040 120.144 -3.104 18716 2039 1 4 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.046 -0.086 18716 2040 1 4 . 1 1 41 41 LEU CA C 41 58.297 58.297 58.004 0.293 18716 2041 1 4 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.962 -1.782 18716 2042 1 4 . 1 1 41 41 LEU H H 41 8.016 8.016 8.183 -0.167 18716 2043 1 4 . 1 1 42 42 GLU N N 42 117.352 117.352 119.107 -1.755 18716 2044 1 4 . 1 1 42 42 GLU HA H 42 4.127 4.127 3.978 0.149 18716 2045 1 4 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.270 0.301 18716 2046 1 4 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.335 0.330 18716 2047 1 4 . 1 1 42 42 GLU H H 42 7.559 7.559 7.792 -0.233 18716 2048 1 4 . 1 1 43 43 ARG N N 43 119.540 119.540 119.392 0.148 18716 2049 1 4 . 1 1 43 43 ARG HA H 43 4.027 4.027 3.969 0.058 18716 2050 1 4 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.506 0.095 18716 2051 1 4 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.003 -0.338 18716 2052 1 4 . 1 1 43 43 ARG H H 43 7.647 7.647 7.300 0.347 18716 2053 1 4 . 1 1 44 44 PHE N N 44 117.665 117.665 118.268 -0.603 18716 2054 1 4 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.671 -0.055 18716 2055 1 4 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.623 0.802 18716 2056 1 4 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.304 0.850 18716 2057 1 4 . 1 1 44 44 PHE H H 44 7.529 7.529 7.608 -0.079 18716 2058 1 4 . 1 1 45 45 ALA N N 45 118.915 118.915 119.807 -0.892 18716 2059 1 4 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.963 0.052 18716 2060 1 4 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.168 0.246 18716 2061 1 4 . 1 1 45 45 ALA CB C 45 16.281 16.281 17.082 -0.801 18716 2062 1 4 . 1 1 45 45 ALA H H 45 7.928 7.928 7.701 0.227 18716 2063 1 4 . 1 1 46 46 VAL N N 46 119.540 119.540 119.034 0.506 18716 2064 1 4 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.181 -0.086 18716 2065 1 4 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.212 0.577 18716 2066 1 4 . 1 1 46 46 VAL CB C 46 33.420 33.420 32.497 0.923 18716 2067 1 4 . 1 1 46 46 VAL H H 46 7.765 7.765 7.648 0.117 18716 2068 1 4 . 1 1 47 47 ASN N N 47 125.790 125.790 127.096 -1.306 18716 2069 1 4 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.717 -0.071 18716 2070 1 4 . 1 1 47 47 ASN CA C 47 50.997 50.997 53.084 -2.087 18716 2071 1 4 . 1 1 47 47 ASN CB C 47 39.086 39.086 39.190 -0.104 18716 2072 1 4 . 1 1 47 47 ASN H H 47 8.399 8.399 8.792 -0.393 18716 2073 1 4 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.424 -0.202 18716 2074 1 4 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.785 -0.471 18716 2075 1 4 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.842 -0.102 18716 2076 1 4 . 1 1 49 49 GLY N N 49 108.290 108.290 107.898 0.392 18716 2077 1 4 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.470 0.060 18716 2078 1 4 . 1 1 49 49 GLY H H 49 8.620 8.620 8.661 -0.041 18716 2079 1 4 . 1 1 50 50 LEU N N 50 121.728 121.728 121.406 0.322 18716 2080 1 4 . 1 1 50 50 LEU HA H 50 4.137 4.137 3.970 0.167 18716 2081 1 4 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.663 0.635 18716 2082 1 4 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.763 -0.200 18716 2083 1 4 . 1 1 50 50 LEU H H 50 7.765 7.765 7.484 0.281 18716 2084 1 4 . 1 1 51 51 LEU N N 51 112.040 112.040 117.195 -5.155 18716 2085 1 4 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.152 0.074 18716 2086 1 4 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.843 -0.336 18716 2087 1 4 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.062 0.429 18716 2088 1 4 . 1 1 51 51 LEU H H 51 7.412 7.412 7.625 -0.213 18716 2089 1 4 . 1 1 52 52 GLU N N 52 114.540 114.540 116.955 -2.415 18716 2090 1 4 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.379 -0.324 18716 2091 1 4 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.965 1.419 18716 2092 1 4 . 1 1 52 52 GLU CB C 52 31.058 31.058 30.231 0.827 18716 2093 1 4 . 1 1 52 52 GLU H H 52 7.500 7.500 7.836 -0.336 18716 2094 1 4 . 1 1 53 53 THR N N 53 122.978 122.978 110.207 12.771 18716 2095 1 4 . 1 1 53 53 THR HA H 53 4.402 4.402 4.349 0.053 18716 2096 1 4 . 1 1 53 53 THR CA C 53 58.306 58.306 60.336 -2.030 18716 2097 1 4 . 1 1 53 53 THR CB C 53 73.222 73.222 71.682 1.540 18716 2098 1 4 . 1 1 53 53 THR H H 53 7.235 7.235 7.331 -0.096 18716 2099 1 4 . 1 1 54 54 SER N N 54 119.228 119.228 120.231 -1.003 18716 2100 1 4 . 1 1 54 54 SER HA H 54 4.043 4.043 4.211 -0.168 18716 2101 1 4 . 1 1 54 54 SER CA C 54 62.657 62.657 62.020 0.637 18716 2102 1 4 . 1 1 54 54 SER CB C 54 62.562 62.562 63.055 -0.493 18716 2103 1 4 . 1 1 54 54 SER H H 54 9.313 9.313 8.857 0.456 18716 2104 1 4 . 1 1 55 55 GLU N N 55 121.233 121.233 119.678 1.555 18716 2105 1 4 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.284 -0.215 18716 2106 1 4 . 1 1 55 55 GLU CA C 55 59.675 59.675 59.029 0.646 18716 2107 1 4 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.565 -0.566 18716 2108 1 4 . 1 1 55 55 GLU H H 55 8.975 8.975 8.560 0.415 18716 2109 1 4 . 1 1 56 56 GLY N N 56 110.790 110.790 107.984 2.806 18716 2110 1 4 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.128 0.738 18716 2111 1 4 . 1 1 56 56 GLY H H 56 8.517 8.517 8.277 0.240 18716 2112 1 4 . 1 1 57 57 CYS N N 57 118.602 118.602 119.512 -0.910 18716 2113 1 4 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.048 -0.024 18716 2114 1 4 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.486 1.116 18716 2115 1 4 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.747 20.048 18716 2116 1 4 . 1 1 57 57 CYS H H 57 8.134 8.134 8.062 0.072 18716 2117 1 4 . 1 1 58 58 ARG N N 58 119.540 119.540 119.819 -0.279 18716 2118 1 4 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.676 -0.126 18716 2119 1 4 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.542 0.165 18716 2120 1 4 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.811 -0.362 18716 2121 1 4 . 1 1 58 58 ARG H H 58 8.488 8.488 8.016 0.472 18716 2122 1 4 . 1 1 59 59 GLN N N 59 119.852 119.852 117.969 1.883 18716 2123 1 4 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.084 -0.032 18716 2124 1 4 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.935 0.465 18716 2125 1 4 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.607 -0.373 18716 2126 1 4 . 1 1 59 59 GLN H H 59 8.016 8.016 7.731 0.285 18716 2127 1 4 . 1 1 60 60 ILE N N 60 120.790 120.790 119.893 0.897 18716 2128 1 4 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.793 -0.181 18716 2129 1 4 . 1 1 60 60 ILE CA C 60 65.651 65.651 64.727 0.924 18716 2130 1 4 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.232 -0.382 18716 2131 1 4 . 1 1 60 60 ILE H H 60 8.163 8.163 7.531 0.632 18716 2132 1 4 . 1 1 61 61 LEU N N 61 118.915 118.915 120.178 -1.263 18716 2133 1 4 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.081 -0.186 18716 2134 1 4 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.907 0.747 18716 2135 1 4 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.471 -0.695 18716 2136 1 4 . 1 1 61 61 LEU H H 61 8.370 8.370 8.596 -0.226 18716 2137 1 4 . 1 1 62 62 GLY N N 62 104.332 104.332 106.652 -2.320 18716 2138 1 4 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.880 0.304 18716 2139 1 4 . 1 1 62 62 GLY H H 62 7.883 7.883 8.335 -0.452 18716 2140 1 4 . 1 1 63 63 GLN N N 63 119.852 119.852 118.848 1.004 18716 2141 1 4 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.251 -0.103 18716 2142 1 4 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.550 0.324 18716 2143 1 4 . 1 1 63 63 GLN CB C 63 29.115 29.115 28.988 0.127 18716 2144 1 4 . 1 1 63 63 GLN H H 63 7.795 7.795 7.527 0.268 18716 2145 1 4 . 1 1 64 64 LEU N N 64 117.040 117.040 119.926 -2.886 18716 2146 1 4 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.081 0.177 18716 2147 1 4 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.805 -0.622 18716 2148 1 4 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.901 2.297 18716 2149 1 4 . 1 1 64 64 LEU H H 64 8.252 8.252 7.519 0.733 18716 2150 1 4 . 1 1 65 65 GLN N N 65 118.915 118.915 119.704 -0.789 18716 2151 1 4 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.871 -0.092 18716 2152 1 4 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.964 0.583 18716 2153 1 4 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.583 -0.719 18716 2154 1 4 . 1 1 65 65 GLN H H 65 8.104 8.104 8.330 -0.226 18716 2155 1 4 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.325 0.058 18716 2156 1 4 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.822 1.095 18716 2157 1 4 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.204 -0.105 18716 2158 1 4 . 1 1 67 67 SER N N 67 111.415 111.415 113.561 -2.146 18716 2159 1 4 . 1 1 67 67 SER HA H 67 4.493 4.493 4.328 0.165 18716 2160 1 4 . 1 1 67 67 SER CA C 67 59.696 59.696 60.095 -0.399 18716 2161 1 4 . 1 1 67 67 SER CB C 67 64.031 64.031 63.280 0.751 18716 2162 1 4 . 1 1 67 67 SER H H 67 7.824 7.824 7.425 0.399 18716 2163 1 4 . 1 1 68 68 LEU N N 68 121.102 121.102 122.027 -0.925 18716 2164 1 4 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.848 -0.032 18716 2165 1 4 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.739 0.209 18716 2166 1 4 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.388 0.382 18716 2167 1 4 . 1 1 68 68 LEU H H 68 7.647 7.647 7.984 -0.337 18716 2168 1 4 . 1 1 69 69 GLN N N 69 116.415 116.415 118.291 -1.876 18716 2169 1 4 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.030 0.039 18716 2170 1 4 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.129 0.341 18716 2171 1 4 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.944 -0.516 18716 2172 1 4 . 1 1 69 69 GLN H H 69 8.060 8.060 8.334 -0.274 18716 2173 1 4 . 1 1 70 70 THR N N 70 106.728 106.728 107.773 -1.045 18716 2174 1 4 . 1 1 70 70 THR HA H 70 4.481 4.481 4.470 0.011 18716 2175 1 4 . 1 1 70 70 THR CA C 70 61.291 61.291 60.594 0.697 18716 2176 1 4 . 1 1 70 70 THR CB C 70 69.415 69.415 69.345 0.070 18716 2177 1 4 . 1 1 70 70 THR H H 70 7.515 7.515 7.575 -0.060 18716 2178 1 4 . 1 1 71 71 GLY N N 71 109.540 109.540 109.924 -0.384 18716 2179 1 4 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.505 1.048 18716 2180 1 4 . 1 1 71 71 GLY H H 71 7.692 7.692 7.388 0.304 18716 2181 1 4 . 1 1 72 72 SER N N 72 114.540 114.540 119.034 -4.494 18716 2182 1 4 . 1 1 72 72 SER HA H 72 4.625 4.625 4.457 0.168 18716 2183 1 4 . 1 1 72 72 SER CA C 72 57.319 57.319 57.254 0.065 18716 2184 1 4 . 1 1 72 72 SER CB C 72 64.599 64.599 64.340 0.259 18716 2185 1 4 . 1 1 72 72 SER H H 72 8.045 8.045 8.134 -0.089 18716 2186 1 4 . 1 1 73 73 GLU N N 73 124.228 124.228 121.468 2.760 18716 2187 1 4 . 1 1 73 73 GLU HA H 73 4.087 4.087 3.989 0.098 18716 2188 1 4 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.913 -0.533 18716 2189 1 4 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.516 -0.214 18716 2190 1 4 . 1 1 73 73 GLU H H 73 9.092 9.092 8.989 0.103 18716 2191 1 4 . 1 1 74 74 GLU N N 74 120.165 120.165 117.761 2.404 18716 2192 1 4 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.372 -0.114 18716 2193 1 4 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.162 1.144 18716 2194 1 4 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.567 -0.104 18716 2195 1 4 . 1 1 74 74 GLU H H 74 8.665 8.665 8.694 -0.029 18716 2196 1 4 . 1 1 75 75 LEU N N 75 121.415 121.415 120.669 0.746 18716 2197 1 4 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.212 -0.029 18716 2198 1 4 . 1 1 75 75 LEU CA C 75 57.932 57.932 57.529 0.403 18716 2199 1 4 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.150 -0.972 18716 2200 1 4 . 1 1 75 75 LEU H H 75 7.765 7.765 7.833 -0.068 18716 2201 1 4 . 1 1 76 76 ARG N N 76 119.228 119.228 120.182 -0.954 18716 2202 1 4 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.990 -0.057 18716 2203 1 4 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.309 -0.627 18716 2204 1 4 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.108 -0.911 18716 2205 1 4 . 1 1 76 76 ARG H H 76 7.868 7.868 8.100 -0.232 18716 2206 1 4 . 1 1 77 77 SER N N 77 114.228 114.228 115.119 -0.891 18716 2207 1 4 . 1 1 77 77 SER HA H 77 4.263 4.263 4.248 0.015 18716 2208 1 4 . 1 1 77 77 SER CA C 77 62.668 62.668 62.293 0.375 18716 2209 1 4 . 1 1 77 77 SER CB C 77 62.849 62.849 62.847 0.002 18716 2210 1 4 . 1 1 77 77 SER H H 77 8.576 8.576 7.795 0.781 18716 2211 1 4 . 1 1 78 78 LEU N N 78 125.790 125.790 123.690 2.100 18716 2212 1 4 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.313 0.108 18716 2213 1 4 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.293 0.669 18716 2214 1 4 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.889 0.029 18716 2215 1 4 . 1 1 78 78 LEU H H 78 8.458 8.458 7.681 0.777 18716 2216 1 4 . 1 1 79 79 TYR N N 79 119.852 119.852 119.148 0.704 18716 2217 1 4 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.090 -0.429 18716 2218 1 4 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.530 1.272 18716 2219 1 4 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.489 0.705 18716 2220 1 4 . 1 1 79 79 TYR H H 79 8.694 8.694 8.441 0.253 18716 2221 1 4 . 1 1 80 80 ASN N N 80 117.040 117.040 117.813 -0.773 18716 2222 1 4 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.543 -0.259 18716 2223 1 4 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.020 -0.233 18716 2224 1 4 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.330 -0.491 18716 2225 1 4 . 1 1 80 80 ASN H H 80 8.871 8.871 8.271 0.600 18716 2226 1 4 . 1 1 81 81 THR N N 81 115.790 115.790 118.833 -3.043 18716 2227 1 4 . 1 1 81 81 THR HA H 81 3.945 3.945 4.252 -0.307 18716 2228 1 4 . 1 1 81 81 THR CA C 81 67.855 67.855 67.026 0.829 18716 2229 1 4 . 1 1 81 81 THR CB C 81 69.140 69.140 69.035 0.105 18716 2230 1 4 . 1 1 81 81 THR H H 81 8.119 8.119 8.411 -0.292 18716 2231 1 4 . 1 1 82 82 ILE N N 82 121.102 121.102 120.689 0.413 18716 2232 1 4 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.751 -0.083 18716 2233 1 4 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.546 -1.026 18716 2234 1 4 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.270 -0.784 18716 2235 1 4 . 1 1 82 82 ILE H H 82 8.090 8.090 8.665 -0.575 18716 2236 1 4 . 1 1 83 83 ALA N N 83 125.165 125.165 122.991 2.174 18716 2237 1 4 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.884 0.007 18716 2238 1 4 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.254 0.601 18716 2239 1 4 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.869 -0.028 18716 2240 1 4 . 1 1 83 83 ALA H H 83 8.782 8.782 7.333 1.449 18716 2241 1 4 . 1 1 84 84 VAL N N 84 117.665 117.665 119.006 -1.341 18716 2242 1 4 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.601 -0.273 18716 2243 1 4 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.983 0.482 18716 2244 1 4 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.120 -0.425 18716 2245 1 4 . 1 1 84 84 VAL H H 84 7.795 7.795 7.606 0.189 18716 2246 1 4 . 1 1 85 85 LEU N N 85 122.040 122.040 120.419 1.621 18716 2247 1 4 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.968 -0.153 18716 2248 1 4 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.537 -0.227 18716 2249 1 4 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.945 0.203 18716 2250 1 4 . 1 1 85 85 LEU H H 85 8.163 8.163 7.717 0.446 18716 2251 1 4 . 1 1 86 86 TYR N N 86 118.915 118.915 120.292 -1.377 18716 2252 1 4 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.070 -0.158 18716 2253 1 4 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.703 1.115 18716 2254 1 4 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.172 0.115 18716 2255 1 4 . 1 1 86 86 TYR H H 86 9.062 9.062 8.521 0.541 18716 2256 1 4 . 1 1 87 87 CYS N N 87 116.102 116.102 115.650 0.452 18716 2257 1 4 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.843 -0.049 18716 2258 1 4 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.823 2.143 18716 2259 1 4 . 1 1 87 87 CYS CB C 87 46.557 46.557 27.318 19.239 18716 2260 1 4 . 1 1 87 87 CYS H H 87 7.515 7.515 8.574 -1.059 18716 2261 1 4 . 1 1 88 88 VAL N N 88 119.978 119.978 119.972 0.006 18716 2262 1 4 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.752 0.126 18716 2263 1 4 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.102 1.319 18716 2264 1 4 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.278 0.309 18716 2265 1 4 . 1 1 88 88 VAL H H 88 8.429 8.429 7.460 0.969 18716 2266 1 4 . 1 1 89 89 HIS N N 89 118.915 118.915 116.159 2.756 18716 2267 1 4 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.576 0.299 18716 2268 1 4 . 1 1 89 89 HIS CA C 89 57.120 57.120 57.566 -0.446 18716 2269 1 4 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.550 -0.467 18716 2270 1 4 . 1 1 89 89 HIS H H 89 8.797 8.797 7.529 1.268 18716 2271 1 4 . 1 1 90 90 GLN N N 90 116.728 116.728 117.323 -0.595 18716 2272 1 4 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.079 0.306 18716 2273 1 4 . 1 1 90 90 GLN CA C 90 55.289 55.289 57.823 -2.534 18716 2274 1 4 . 1 1 90 90 GLN CB C 90 30.952 30.952 29.995 0.957 18716 2275 1 4 . 1 1 90 90 GLN H H 90 7.986 7.986 8.007 -0.021 18716 2276 1 4 . 1 1 91 91 ARG N N 91 115.165 115.165 114.402 0.763 18716 2277 1 4 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.316 -0.303 18716 2278 1 4 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.161 1.022 18716 2279 1 4 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.078 -5.029 18716 2280 1 4 . 1 1 91 91 ARG H H 91 7.883 7.883 7.713 0.170 18716 2281 1 4 . 1 1 92 92 ILE N N 92 120.087 120.087 122.558 -2.471 18716 2282 1 4 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.130 -0.145 18716 2283 1 4 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.394 -1.738 18716 2284 1 4 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.325 0.605 18716 2285 1 4 . 1 1 92 92 ILE H H 92 8.335 8.335 7.773 0.562 18716 2286 1 4 . 1 1 93 93 ASP N N 93 129.228 129.228 127.743 1.485 18716 2287 1 4 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.730 -0.245 18716 2288 1 4 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.580 2.463 18716 2289 1 4 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.280 0.116 18716 2290 1 4 . 1 1 93 93 ASP H H 93 8.620 8.620 8.518 0.102 18716 2291 1 4 . 1 1 94 94 VAL N N 94 115.790 115.790 115.398 0.392 18716 2292 1 4 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.877 0.756 18716 2293 1 4 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.942 -3.822 18716 2294 1 4 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.420 3.092 18716 2295 1 4 . 1 1 94 94 VAL H H 94 7.751 7.751 7.323 0.428 18716 2296 1 4 . 1 1 95 95 LYS N N 95 118.915 118.915 119.601 -0.686 18716 2297 1 4 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.403 -0.010 18716 2298 1 4 . 1 1 95 95 LYS CA C 95 56.671 56.671 56.981 -0.310 18716 2299 1 4 . 1 1 95 95 LYS CB C 95 34.008 34.008 34.172 -0.165 18716 2300 1 4 . 1 1 95 95 LYS H H 95 9.239 9.239 8.434 0.805 18716 2301 1 4 . 1 1 96 96 ASP N N 96 112.040 112.040 114.193 -2.153 18716 2302 1 4 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.437 0.125 18716 2303 1 4 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.630 0.199 18716 2304 1 4 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.288 1.317 18716 2305 1 4 . 1 1 96 96 ASP H H 96 7.412 7.412 7.529 -0.117 18716 2306 1 4 . 1 1 97 97 THR N N 97 109.540 109.540 113.527 -3.987 18716 2307 1 4 . 1 1 97 97 THR HA H 97 3.661 3.661 4.073 -0.412 18716 2308 1 4 . 1 1 97 97 THR CA C 97 65.947 65.947 66.602 -0.655 18716 2309 1 4 . 1 1 97 97 THR CB C 97 70.285 70.285 68.951 1.334 18716 2310 1 4 . 1 1 97 97 THR H H 97 7.250 7.250 8.221 -0.971 18716 2311 1 4 . 1 1 98 98 LYS N N 98 121.102 121.102 121.861 -0.759 18716 2312 1 4 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.991 -0.046 18716 2313 1 4 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.678 -0.050 18716 2314 1 4 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.896 0.031 18716 2315 1 4 . 1 1 98 98 LYS H H 98 7.868 7.868 8.147 -0.279 18716 2316 1 4 . 1 1 99 99 GLU N N 99 119.228 119.228 118.396 0.832 18716 2317 1 4 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.068 0.009 18716 2318 1 4 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.596 0.198 18716 2319 1 4 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.516 0.730 18716 2320 1 4 . 1 1 99 99 GLU H H 99 8.384 8.384 8.833 -0.449 18716 2321 1 4 . 1 1 100 100 ALA N N 100 118.915 118.915 120.932 -2.017 18716 2322 1 4 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.140 0.246 18716 2323 1 4 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.860 0.536 18716 2324 1 4 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.564 1.196 18716 2325 1 4 . 1 1 100 100 ALA H H 100 7.382 7.382 7.486 -0.104 18716 2326 1 4 . 1 1 101 101 LEU N N 101 117.978 117.978 119.300 -1.322 18716 2327 1 4 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.950 0.070 18716 2328 1 4 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.963 0.012 18716 2329 1 4 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.856 -0.363 18716 2330 1 4 . 1 1 101 101 LEU H H 101 8.119 8.119 7.418 0.701 18716 2331 1 4 . 1 1 102 102 ASP N N 102 120.478 120.478 119.181 1.297 18716 2332 1 4 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.364 0.003 18716 2333 1 4 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.392 -0.040 18716 2334 1 4 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.164 -0.442 18716 2335 1 4 . 1 1 102 102 ASP H H 102 8.679 8.679 8.104 0.575 18716 2336 1 4 . 1 1 103 103 LYS N N 103 120.165 120.165 119.722 0.443 18716 2337 1 4 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.143 0.021 18716 2338 1 4 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.102 -0.739 18716 2339 1 4 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.587 -1.054 18716 2340 1 4 . 1 1 103 103 LYS H H 103 8.207 8.207 7.587 0.620 18716 2341 1 4 . 1 1 104 104 ILE N N 104 119.852 119.852 119.866 -0.014 18716 2342 1 4 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.686 0.124 18716 2343 1 4 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.711 -1.103 18716 2344 1 4 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.808 -0.374 18716 2345 1 4 . 1 1 104 104 ILE H H 104 8.163 8.163 7.641 0.522 18716 2346 1 4 . 1 1 105 105 GLU N N 105 121.415 121.415 119.558 1.857 18716 2347 1 4 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.955 0.080 18716 2348 1 4 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.814 -0.180 18716 2349 1 4 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.418 3.338 18716 2350 1 4 . 1 1 105 105 GLU H H 105 8.001 8.001 8.608 -0.607 18716 2351 1 4 . 1 1 106 106 GLU N N 106 119.228 119.228 118.807 0.421 18716 2352 1 4 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.144 -0.054 18716 2353 1 4 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.048 0.219 18716 2354 1 4 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.726 -0.129 18716 2355 1 4 . 1 1 106 106 GLU H H 106 8.031 8.031 7.784 0.247 18716 2356 1 4 . 1 1 107 107 GLU N N 107 118.915 118.915 120.492 -1.577 18716 2357 1 4 . 1 1 107 107 GLU HA H 107 4.073 4.073 3.996 0.077 18716 2358 1 4 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.572 -0.231 18716 2359 1 4 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.600 0.270 18716 2360 1 4 . 1 1 107 107 GLU H H 107 8.016 8.016 7.927 0.089 18716 2361 1 4 . 1 1 108 108 GLN N N 108 118.290 118.290 117.020 1.270 18716 2362 1 4 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.065 0.082 18716 2363 1 4 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.812 -0.405 18716 2364 1 4 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.598 0.247 18716 2365 1 4 . 1 1 108 108 GLN H H 108 8.252 8.252 8.184 0.068 18716 2366 1 4 . 1 1 109 109 ASN N N 109 118.290 118.290 118.662 -0.372 18716 2367 1 4 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.382 0.235 18716 2368 1 4 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.642 -1.760 18716 2369 1 4 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.384 0.141 18716 2370 1 4 . 1 1 109 109 ASN H H 109 8.252 8.252 7.743 0.509 18716 2371 1 4 . 1 1 110 110 LYS N N 110 120.478 120.478 120.100 0.378 18716 2372 1 4 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.070 0.160 18716 2373 1 4 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.157 -0.846 18716 2374 1 4 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.423 0.268 18716 2375 1 4 . 1 1 110 110 LYS H H 110 8.031 8.031 7.818 0.213 18716 2376 1 4 . 1 1 111 111 SER N N 111 114.540 114.540 112.058 2.482 18716 2377 1 4 . 1 1 111 111 SER HA H 111 4.368 4.368 4.254 0.114 18716 2378 1 4 . 1 1 111 111 SER CA C 111 59.764 59.764 61.147 -1.383 18716 2379 1 4 . 1 1 111 111 SER CB C 111 63.442 63.442 62.871 0.571 18716 2380 1 4 . 1 1 111 111 SER H H 111 8.031 8.031 7.839 0.192 18716 2381 1 4 . 1 1 112 112 LYS N N 112 122.040 122.040 119.955 2.085 18716 2382 1 4 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.205 0.040 18716 2383 1 4 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.226 -0.897 18716 2384 1 4 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.609 0.166 18716 2385 1 4 . 1 1 112 112 LYS H H 112 7.957 7.957 7.488 0.469 18716 2386 1 4 . 1 1 113 113 LYS N N 113 120.790 120.790 118.384 2.406 18716 2387 1 4 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.353 -0.203 18716 2388 1 4 . 1 1 113 113 LYS CA C 113 59.134 59.134 55.801 3.333 18716 2389 1 4 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.080 0.686 18716 2390 1 4 . 1 1 113 113 LYS H H 113 8.016 8.016 7.631 0.385 18716 2391 1 4 . 1 1 114 114 LYS N N 114 121.728 121.728 118.770 2.958 18716 2392 1 4 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.381 -0.118 18716 2393 1 4 . 1 1 114 114 LYS CA C 114 57.185 57.185 56.962 0.223 18716 2394 1 4 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.461 0.396 18716 2395 1 4 . 1 1 114 114 LYS H H 114 8.119 8.119 7.576 0.543 18716 2396 1 4 . 1 1 115 115 ALA N N 115 124.228 124.228 121.763 2.465 18716 2397 1 4 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.527 -0.259 18716 2398 1 4 . 1 1 115 115 ALA CA C 115 53.035 53.035 53.505 -0.470 18716 2399 1 4 . 1 1 115 115 ALA CB C 115 19.038 19.038 20.100 -1.062 18716 2400 1 4 . 1 1 115 115 ALA H H 115 8.178 8.178 8.349 -0.171 18716 2401 1 4 . 1 1 116 116 GLN N N 116 119.228 119.228 117.160 2.068 18716 2402 1 4 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.576 -0.328 18716 2403 1 4 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.385 1.164 18716 2404 1 4 . 1 1 116 116 GLN H H 116 8.237 8.237 8.085 0.152 18716 2405 1 4 . 1 1 117 117 GLN N N 117 120.478 120.478 118.929 1.549 18716 2406 1 4 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.427 -0.158 18716 2407 1 4 . 1 1 117 117 GLN CA C 117 56.324 56.324 56.304 0.020 18716 2408 1 4 . 1 1 117 117 GLN CB C 117 29.606 29.606 29.142 0.464 18716 2409 1 4 . 1 1 117 117 GLN H H 117 8.266 8.266 8.279 -0.013 18716 2410 1 4 . 1 1 118 118 ALA N N 118 124.852 124.852 123.234 1.618 18716 2411 1 4 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.578 -0.302 18716 2412 1 4 . 1 1 118 118 ALA CA C 118 52.837 52.837 52.168 0.669 18716 2413 1 4 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.265 0.797 18716 2414 1 4 . 1 1 118 118 ALA H H 118 8.266 8.266 8.216 0.050 18716 2415 1 4 . 1 1 119 119 ALA N N 119 122.978 122.978 120.357 2.621 18716 2416 1 4 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.598 -0.304 18716 2417 1 4 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.157 0.480 18716 2418 1 4 . 1 1 119 119 ALA CB C 119 19.201 19.201 19.391 -0.190 18716 2419 1 4 . 1 1 119 119 ALA H H 119 8.163 8.163 7.695 0.468 18716 2420 1 4 . 1 1 120 120 ALA N N 120 122.665 122.665 120.954 1.711 18716 2421 1 4 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.352 -0.075 18716 2422 1 4 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.810 -0.074 18716 2423 1 4 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.814 -0.647 18716 2424 1 4 . 1 1 120 120 ALA H H 120 8.163 8.163 8.030 0.133 18716 2425 1 4 . 1 1 121 121 ASP N N 121 119.228 119.228 119.066 0.162 18716 2426 1 4 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.667 0.015 18716 2427 1 4 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.415 -0.151 18716 2428 1 4 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.791 -0.663 18716 2429 1 4 . 1 1 121 121 ASP H H 121 8.252 8.252 8.741 -0.489 18716 2430 1 4 . 1 1 122 122 THR N N 122 113.602 113.602 112.246 1.356 18716 2431 1 4 . 1 1 122 122 THR HA H 122 4.358 4.358 4.114 0.244 18716 2432 1 4 . 1 1 122 122 THR CA C 122 61.971 61.971 63.216 -1.245 18716 2433 1 4 . 1 1 122 122 THR CB C 122 69.586 69.586 68.488 1.098 18716 2434 1 4 . 1 1 122 122 THR H H 122 8.075 8.075 8.053 0.022 18716 2435 1 4 . 1 1 123 123 GLY N N 123 110.478 110.478 110.165 0.313 18716 2436 1 4 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.033 0.570 18716 2437 1 4 . 1 1 123 123 GLY H H 123 8.414 8.414 8.656 -0.242 18716 2438 1 4 . 1 1 124 124 ASN N N 124 118.602 118.602 119.098 -0.496 18716 2439 1 4 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.632 -0.024 18716 2440 1 4 . 1 1 124 124 ASN CA C 124 54.733 54.733 53.247 1.486 18716 2441 1 4 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.498 -0.960 18716 2442 1 4 . 1 1 124 124 ASN H H 124 8.266 8.266 8.194 0.072 18716 2443 1 4 . 1 1 125 125 ASN N N 125 119.228 119.228 117.893 1.335 18716 2444 1 4 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.560 0.164 18716 2445 1 4 . 1 1 125 125 ASN CA C 125 53.453 53.453 54.384 -0.931 18716 2446 1 4 . 1 1 125 125 ASN CB C 125 38.813 38.813 38.716 0.097 18716 2447 1 4 . 1 1 125 125 ASN H H 125 8.443 8.443 8.527 -0.084 18716 2448 1 4 . 1 1 126 126 SER N N 126 115.790 115.790 116.771 -0.981 18716 2449 1 4 . 1 1 126 126 SER HA H 126 4.388 4.388 4.306 0.082 18716 2450 1 4 . 1 1 126 126 SER CA C 126 58.851 58.851 58.292 0.559 18716 2451 1 4 . 1 1 126 126 SER CB C 126 63.926 63.926 63.464 0.462 18716 2452 1 4 . 1 1 126 126 SER H H 126 8.266 8.266 7.889 0.377 18716 2453 1 4 . 1 1 127 127 GLN N N 127 121.728 121.728 125.701 -3.973 18716 2454 1 4 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.235 0.088 18716 2455 1 4 . 1 1 127 127 GLN CA C 127 56.223 56.223 56.128 0.095 18716 2456 1 4 . 1 1 127 127 GLN CB C 127 29.168 29.168 28.998 0.170 18716 2457 1 4 . 1 1 127 127 GLN H H 127 8.355 8.355 8.456 -0.101 18716 2458 1 4 . 1 1 128 128 VAL N N 128 119.852 119.852 124.516 -4.664 18716 2459 1 4 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.321 -0.212 18716 2460 1 4 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.727 0.938 18716 2461 1 4 . 1 1 128 128 VAL CB C 128 32.769 32.769 33.635 -0.866 18716 2462 1 4 . 1 1 128 128 VAL H H 128 7.986 7.986 8.343 -0.357 18716 2463 1 4 . 1 1 129 129 SER N N 129 117.978 117.978 121.443 -3.465 18716 2464 1 4 . 1 1 129 129 SER HA H 129 4.136 4.136 4.732 -0.596 18716 2465 1 4 . 1 1 129 129 SER CA C 129 58.404 58.404 57.471 0.933 18716 2466 1 4 . 1 1 129 129 SER CB C 129 63.755 63.755 63.735 0.020 18716 2467 1 4 . 1 1 129 129 SER H H 129 8.252 8.252 8.553 -0.301 18716 2468 1 4 . 1 1 130 130 GLN N N 130 121.728 121.728 124.723 -2.995 18716 2469 1 4 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.259 0.096 18716 2470 1 4 . 1 1 130 130 GLN CA C 130 56.150 56.150 56.735 -0.585 18716 2471 1 4 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.450 -0.077 18716 2472 1 4 . 1 1 130 130 GLN H H 130 8.355 8.355 8.596 -0.241 18716 2473 1 4 . 1 1 131 131 ASN N N 131 118.290 118.290 117.840 0.450 18716 2474 1 4 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.882 -0.250 18716 2475 1 4 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.057 0.511 18716 2476 1 4 . 1 1 131 131 ASN H H 131 8.252 8.252 8.695 -0.443 18716 2477 1 5 . 1 1 3 3 ALA N N 3 123.842 123.842 126.124 -2.282 18716 2478 1 5 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.321 0.007 18716 2479 1 5 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.152 0.385 18716 2480 1 5 . 1 1 3 3 ALA CB C 3 17.251 17.251 18.577 -1.326 18716 2481 1 5 . 1 1 3 3 ALA H H 3 8.183 8.183 8.100 0.083 18716 2482 1 5 . 1 1 4 4 ARG N N 4 120.165 120.165 120.797 -0.632 18716 2483 1 5 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.374 -0.118 18716 2484 1 5 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.339 -0.374 18716 2485 1 5 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.340 -0.379 18716 2486 1 5 . 1 1 4 4 ARG H H 4 8.429 8.429 8.528 -0.099 18716 2487 1 5 . 1 1 5 5 ALA N N 5 125.165 125.165 126.402 -1.237 18716 2488 1 5 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.458 -0.176 18716 2489 1 5 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.031 0.340 18716 2490 1 5 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.769 -1.097 18716 2491 1 5 . 1 1 5 5 ALA H H 5 8.370 8.370 8.255 0.115 18716 2492 1 5 . 1 1 6 6 SER N N 6 114.540 114.540 119.770 -5.230 18716 2493 1 5 . 1 1 6 6 SER HA H 6 4.479 4.479 4.651 -0.172 18716 2494 1 5 . 1 1 6 6 SER CA C 6 57.804 57.804 57.263 0.541 18716 2495 1 5 . 1 1 6 6 SER CB C 6 64.034 64.034 63.952 0.082 18716 2496 1 5 . 1 1 6 6 SER H H 6 8.134 8.134 8.537 -0.403 18716 2497 1 5 . 1 1 7 7 VAL N N 7 121.415 121.415 124.176 -2.761 18716 2498 1 5 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.942 -0.325 18716 2499 1 5 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.882 0.829 18716 2500 1 5 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.040 -0.104 18716 2501 1 5 . 1 1 7 7 VAL H H 7 8.119 8.119 8.590 -0.471 18716 2502 1 5 . 1 1 8 8 LEU N N 8 115.478 115.478 118.030 -2.552 18716 2503 1 5 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.766 0.148 18716 2504 1 5 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.124 -0.650 18716 2505 1 5 . 1 1 8 8 LEU CB C 8 44.314 44.314 43.342 0.973 18716 2506 1 5 . 1 1 8 8 LEU H H 8 7.382 7.382 7.353 0.029 18716 2507 1 5 . 1 1 9 9 SER N N 9 118.290 118.290 119.500 -1.210 18716 2508 1 5 . 1 1 9 9 SER HA H 9 4.606 4.606 4.540 0.066 18716 2509 1 5 . 1 1 9 9 SER CA C 9 57.197 57.197 57.804 -0.607 18716 2510 1 5 . 1 1 9 9 SER CB C 9 65.426 65.426 65.231 0.195 18716 2511 1 5 . 1 1 9 9 SER H H 9 9.166 9.166 8.962 0.204 18716 2512 1 5 . 1 1 10 10 GLY N N 10 109.228 109.228 108.777 0.451 18716 2513 1 5 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.996 0.678 18716 2514 1 5 . 1 1 10 10 GLY H H 10 8.959 8.959 8.672 0.287 18716 2515 1 5 . 1 1 11 11 GLY N N 11 111.102 111.102 109.971 1.131 18716 2516 1 5 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.354 0.307 18716 2517 1 5 . 1 1 11 11 GLY H H 11 8.782 8.782 7.818 0.964 18716 2518 1 5 . 1 1 12 12 GLU N N 12 120.165 120.165 122.568 -2.403 18716 2519 1 5 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.022 -0.072 18716 2520 1 5 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.687 0.409 18716 2521 1 5 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.520 1.770 18716 2522 1 5 . 1 1 12 12 GLU H H 12 7.751 7.751 7.537 0.214 18716 2523 1 5 . 1 1 13 13 LEU N N 13 121.415 121.415 121.784 -0.369 18716 2524 1 5 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.002 0.106 18716 2525 1 5 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.391 -0.329 18716 2526 1 5 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.754 -0.818 18716 2527 1 5 . 1 1 13 13 LEU H H 13 8.340 8.340 8.508 -0.168 18716 2528 1 5 . 1 1 14 14 ASP N N 14 116.415 116.415 118.943 -2.528 18716 2529 1 5 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.364 0.029 18716 2530 1 5 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.390 -0.254 18716 2531 1 5 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.589 0.497 18716 2532 1 5 . 1 1 14 14 ASP H H 14 7.574 7.574 7.866 -0.292 18716 2533 1 5 . 1 1 15 15 LYS N N 15 115.478 115.478 120.262 -4.784 18716 2534 1 5 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.125 -0.079 18716 2535 1 5 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.590 -1.188 18716 2536 1 5 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.514 -0.155 18716 2537 1 5 . 1 1 15 15 LYS H H 15 7.117 7.117 7.391 -0.274 18716 2538 1 5 . 1 1 16 16 TRP N N 16 121.693 121.693 121.325 0.368 18716 2539 1 5 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.125 -0.100 18716 2540 1 5 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.779 -0.493 18716 2541 1 5 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.576 1.538 18716 2542 1 5 . 1 1 16 16 TRP H H 16 8.646 8.646 8.538 0.108 18716 2543 1 5 . 1 1 17 17 GLU N N 17 127.710 127.710 116.213 11.497 18716 2544 1 5 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.363 0.328 18716 2545 1 5 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.803 -2.034 18716 2546 1 5 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.412 0.333 18716 2547 1 5 . 1 1 17 17 GLU H H 17 7.571 7.571 8.258 -0.687 18716 2548 1 5 . 1 1 18 18 LYS N N 18 115.790 115.790 118.443 -2.653 18716 2549 1 5 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.173 0.324 18716 2550 1 5 . 1 1 18 18 LYS CA C 18 55.569 55.569 56.705 -1.136 18716 2551 1 5 . 1 1 18 18 LYS CB C 18 33.939 33.939 32.970 0.969 18716 2552 1 5 . 1 1 18 18 LYS H H 18 7.456 7.456 7.337 0.119 18716 2553 1 5 . 1 1 19 19 ILE N N 19 124.228 124.228 120.467 3.761 18716 2554 1 5 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.879 -0.322 18716 2555 1 5 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.689 -0.569 18716 2556 1 5 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.662 0.520 18716 2557 1 5 . 1 1 19 19 ILE H H 19 7.633 7.633 8.081 -0.448 18716 2558 1 5 . 1 1 20 20 ARG N N 20 125.790 125.790 123.893 1.897 18716 2559 1 5 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.459 -0.031 18716 2560 1 5 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.152 1.343 18716 2561 1 5 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.808 -0.271 18716 2562 1 5 . 1 1 20 20 ARG H H 20 8.031 8.031 8.381 -0.350 18716 2563 1 5 . 1 1 21 21 LEU N N 21 120.165 120.165 121.036 -0.871 18716 2564 1 5 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.854 -0.423 18716 2565 1 5 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.584 0.651 18716 2566 1 5 . 1 1 21 21 LEU CB C 21 41.554 41.554 42.011 -0.457 18716 2567 1 5 . 1 1 21 21 LEU H H 21 7.810 7.810 7.724 0.086 18716 2568 1 5 . 1 1 22 22 ARG N N 22 119.540 119.540 115.066 4.474 18716 2569 1 5 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.653 0.192 18716 2570 1 5 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.481 -0.637 18716 2571 1 5 . 1 1 22 22 ARG CB C 22 31.617 31.617 31.583 0.034 18716 2572 1 5 . 1 1 22 22 ARG H H 22 8.974 8.974 7.719 1.255 18716 2573 1 5 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.561 -0.201 18716 2574 1 5 . 1 1 23 23 PRO CA C 23 63.436 63.436 63.952 -0.515 18716 2575 1 5 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.327 -0.762 18716 2576 1 5 . 1 1 24 24 GLY N N 24 112.665 112.665 109.525 3.140 18716 2577 1 5 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.780 1.025 18716 2578 1 5 . 1 1 24 24 GLY H H 24 9.138 9.138 8.197 0.941 18716 2579 1 5 . 1 1 25 25 GLY N N 25 107.978 107.978 107.926 0.052 18716 2580 1 5 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.701 -0.129 18716 2581 1 5 . 1 1 25 25 GLY H H 25 8.134 8.134 7.390 0.744 18716 2582 1 5 . 1 1 26 26 LYS N N 26 117.665 117.665 119.677 -2.012 18716 2583 1 5 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.513 -0.249 18716 2584 1 5 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.166 0.687 18716 2585 1 5 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.861 1.195 18716 2586 1 5 . 1 1 26 26 LYS H H 26 8.665 8.665 8.445 0.220 18716 2587 1 5 . 1 1 27 27 LYS N N 27 117.925 117.925 120.139 -2.214 18716 2588 1 5 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.541 -0.230 18716 2589 1 5 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.644 1.567 18716 2590 1 5 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.216 -0.338 18716 2591 1 5 . 1 1 27 27 LYS H H 27 7.817 7.817 7.870 -0.053 18716 2592 1 5 . 1 1 28 28 GLN N N 28 122.978 122.978 121.668 1.310 18716 2593 1 5 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.303 0.513 18716 2594 1 5 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.176 -0.703 18716 2595 1 5 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.287 3.767 18716 2596 1 5 . 1 1 28 28 GLN H H 28 8.458 8.458 8.389 0.069 18716 2597 1 5 . 1 1 29 29 TYR N N 29 119.540 119.540 119.363 0.177 18716 2598 1 5 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.491 -0.759 18716 2599 1 5 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.869 2.141 18716 2600 1 5 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.393 -2.177 18716 2601 1 5 . 1 1 29 29 TYR H H 29 7.824 7.824 8.493 -0.669 18716 2602 1 5 . 1 1 30 30 LYS N N 30 117.978 117.978 120.565 -2.587 18716 2603 1 5 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.880 0.336 18716 2604 1 5 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.362 -0.297 18716 2605 1 5 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.280 2.308 18716 2606 1 5 . 1 1 30 30 LYS H H 30 10.610 10.610 9.179 1.431 18716 2607 1 5 . 1 1 31 31 LEU N N 31 128.602 128.602 124.273 4.329 18716 2608 1 5 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.095 0.086 18716 2609 1 5 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.467 0.767 18716 2610 1 5 . 1 1 31 31 LEU CB C 31 41.002 41.002 42.077 -1.075 18716 2611 1 5 . 1 1 31 31 LEU H H 31 9.991 9.991 8.938 1.053 18716 2612 1 5 . 1 1 32 32 LYS N N 32 115.165 115.165 118.282 -3.117 18716 2613 1 5 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.922 0.223 18716 2614 1 5 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.769 -0.672 18716 2615 1 5 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.843 -0.284 18716 2616 1 5 . 1 1 32 32 LYS H H 32 8.399 8.399 8.591 -0.192 18716 2617 1 5 . 1 1 33 33 HIS N N 33 119.540 119.540 117.352 2.188 18716 2618 1 5 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.682 -0.078 18716 2619 1 5 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.447 3.444 18716 2620 1 5 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.532 2.252 18716 2621 1 5 . 1 1 33 33 HIS H H 33 8.193 8.193 7.881 0.312 18716 2622 1 5 . 1 1 34 34 ILE N N 34 119.540 119.540 120.695 -1.155 18716 2623 1 5 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.800 -0.007 18716 2624 1 5 . 1 1 34 34 ILE CA C 34 63.848 63.848 65.094 -1.246 18716 2625 1 5 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.655 -0.676 18716 2626 1 5 . 1 1 34 34 ILE H H 34 7.898 7.898 7.536 0.362 18716 2627 1 5 . 1 1 35 35 VAL N N 35 122.040 122.040 119.418 2.622 18716 2628 1 5 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.821 -0.209 18716 2629 1 5 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.314 0.432 18716 2630 1 5 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.244 0.898 18716 2631 1 5 . 1 1 35 35 VAL H H 35 7.706 7.706 8.461 -0.755 18716 2632 1 5 . 1 1 36 36 TRP N N 36 119.986 119.986 122.409 -2.423 18716 2633 1 5 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.176 0.057 18716 2634 1 5 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.330 -0.220 18716 2635 1 5 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.257 -0.845 18716 2636 1 5 . 1 1 36 36 TRP H H 36 8.452 8.452 7.733 0.719 18716 2637 1 5 . 1 1 37 37 ALA N N 37 120.478 120.478 120.453 0.025 18716 2638 1 5 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.644 -0.252 18716 2639 1 5 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.281 -0.144 18716 2640 1 5 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.242 -0.812 18716 2641 1 5 . 1 1 37 37 ALA H H 37 8.311 8.311 8.287 0.024 18716 2642 1 5 . 1 1 38 38 SER N N 38 111.415 111.415 113.681 -2.266 18716 2643 1 5 . 1 1 38 38 SER HA H 38 3.906 3.906 3.949 -0.043 18716 2644 1 5 . 1 1 38 38 SER CA C 38 62.801 62.801 61.885 0.916 18716 2645 1 5 . 1 1 38 38 SER CB C 38 62.829 62.829 62.977 -0.148 18716 2646 1 5 . 1 1 38 38 SER H H 38 8.259 8.259 7.743 0.516 18716 2647 1 5 . 1 1 39 39 ARG N N 39 119.852 119.852 121.130 -1.278 18716 2648 1 5 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.972 0.174 18716 2649 1 5 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.333 -0.923 18716 2650 1 5 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.199 -0.191 18716 2651 1 5 . 1 1 39 39 ARG H H 39 7.559 7.559 7.480 0.079 18716 2652 1 5 . 1 1 40 40 GLU N N 40 121.102 121.102 119.514 1.588 18716 2653 1 5 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.699 0.088 18716 2654 1 5 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.984 -0.703 18716 2655 1 5 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.899 0.775 18716 2656 1 5 . 1 1 40 40 GLU H H 40 8.222 8.222 7.387 0.835 18716 2657 1 5 . 1 1 41 41 LEU N N 41 117.040 117.040 120.158 -3.118 18716 2658 1 5 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.055 -0.095 18716 2659 1 5 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.963 0.334 18716 2660 1 5 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.014 -1.834 18716 2661 1 5 . 1 1 41 41 LEU H H 41 8.016 8.016 8.152 -0.136 18716 2662 1 5 . 1 1 42 42 GLU N N 42 117.352 117.352 119.115 -1.763 18716 2663 1 5 . 1 1 42 42 GLU HA H 42 4.127 4.127 3.974 0.153 18716 2664 1 5 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.262 0.309 18716 2665 1 5 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.258 0.407 18716 2666 1 5 . 1 1 42 42 GLU H H 42 7.559 7.559 7.863 -0.304 18716 2667 1 5 . 1 1 43 43 ARG N N 43 119.540 119.540 119.112 0.428 18716 2668 1 5 . 1 1 43 43 ARG HA H 43 4.027 4.027 3.959 0.068 18716 2669 1 5 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.502 0.099 18716 2670 1 5 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.065 -0.400 18716 2671 1 5 . 1 1 43 43 ARG H H 43 7.647 7.647 7.272 0.375 18716 2672 1 5 . 1 1 44 44 PHE N N 44 117.665 117.665 117.909 -0.244 18716 2673 1 5 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.645 -0.029 18716 2674 1 5 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.706 0.719 18716 2675 1 5 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.124 1.030 18716 2676 1 5 . 1 1 44 44 PHE H H 44 7.529 7.529 7.578 -0.049 18716 2677 1 5 . 1 1 45 45 ALA N N 45 118.915 118.915 119.812 -0.897 18716 2678 1 5 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.964 0.051 18716 2679 1 5 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.171 0.243 18716 2680 1 5 . 1 1 45 45 ALA CB C 45 16.281 16.281 17.084 -0.803 18716 2681 1 5 . 1 1 45 45 ALA H H 45 7.928 7.928 7.711 0.217 18716 2682 1 5 . 1 1 46 46 VAL N N 46 119.540 119.540 119.051 0.489 18716 2683 1 5 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.191 -0.096 18716 2684 1 5 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.191 0.598 18716 2685 1 5 . 1 1 46 46 VAL CB C 46 33.420 33.420 32.517 0.903 18716 2686 1 5 . 1 1 46 46 VAL H H 46 7.765 7.765 7.644 0.121 18716 2687 1 5 . 1 1 47 47 ASN N N 47 125.790 125.790 127.285 -1.495 18716 2688 1 5 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.729 -0.083 18716 2689 1 5 . 1 1 47 47 ASN CA C 47 50.997 50.997 53.245 -2.248 18716 2690 1 5 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.998 0.088 18716 2691 1 5 . 1 1 47 47 ASN H H 47 8.399 8.399 8.813 -0.414 18716 2692 1 5 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.425 -0.203 18716 2693 1 5 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.788 -0.474 18716 2694 1 5 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.881 -0.141 18716 2695 1 5 . 1 1 49 49 GLY N N 49 108.290 108.290 107.913 0.377 18716 2696 1 5 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.493 0.037 18716 2697 1 5 . 1 1 49 49 GLY H H 49 8.620 8.620 8.666 -0.046 18716 2698 1 5 . 1 1 50 50 LEU N N 50 121.728 121.728 121.525 0.203 18716 2699 1 5 . 1 1 50 50 LEU HA H 50 4.137 4.137 3.971 0.166 18716 2700 1 5 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.731 0.568 18716 2701 1 5 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.751 -0.188 18716 2702 1 5 . 1 1 50 50 LEU H H 50 7.765 7.765 7.487 0.278 18716 2703 1 5 . 1 1 51 51 LEU N N 51 112.040 112.040 116.936 -4.896 18716 2704 1 5 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.156 0.070 18716 2705 1 5 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.798 -0.291 18716 2706 1 5 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.877 0.614 18716 2707 1 5 . 1 1 51 51 LEU H H 51 7.412 7.412 7.676 -0.264 18716 2708 1 5 . 1 1 52 52 GLU N N 52 114.540 114.540 117.364 -2.824 18716 2709 1 5 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.246 -0.191 18716 2710 1 5 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.908 1.476 18716 2711 1 5 . 1 1 52 52 GLU CB C 52 31.058 31.058 30.183 0.875 18716 2712 1 5 . 1 1 52 52 GLU H H 52 7.500 7.500 7.851 -0.351 18716 2713 1 5 . 1 1 53 53 THR N N 53 122.978 122.978 110.282 12.696 18716 2714 1 5 . 1 1 53 53 THR HA H 53 4.402 4.402 4.411 -0.009 18716 2715 1 5 . 1 1 53 53 THR CA C 53 58.306 58.306 59.923 -1.617 18716 2716 1 5 . 1 1 53 53 THR CB C 53 73.222 73.222 71.564 1.658 18716 2717 1 5 . 1 1 53 53 THR H H 53 7.235 7.235 7.323 -0.088 18716 2718 1 5 . 1 1 54 54 SER N N 54 119.228 119.228 121.445 -2.217 18716 2719 1 5 . 1 1 54 54 SER HA H 54 4.043 4.043 4.138 -0.095 18716 2720 1 5 . 1 1 54 54 SER CA C 54 62.657 62.657 62.231 0.426 18716 2721 1 5 . 1 1 54 54 SER CB C 54 62.562 62.562 62.758 -0.196 18716 2722 1 5 . 1 1 54 54 SER H H 54 9.313 9.313 8.823 0.490 18716 2723 1 5 . 1 1 55 55 GLU N N 55 121.233 121.233 121.461 -0.228 18716 2724 1 5 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.294 -0.225 18716 2725 1 5 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.528 1.147 18716 2726 1 5 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.406 -0.407 18716 2727 1 5 . 1 1 55 55 GLU H H 55 8.975 8.975 8.451 0.524 18716 2728 1 5 . 1 1 56 56 GLY N N 56 110.790 110.790 107.750 3.040 18716 2729 1 5 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.224 0.642 18716 2730 1 5 . 1 1 56 56 GLY H H 56 8.517 8.517 8.164 0.353 18716 2731 1 5 . 1 1 57 57 CYS N N 57 118.602 118.602 119.632 -1.030 18716 2732 1 5 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.049 -0.025 18716 2733 1 5 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.909 0.693 18716 2734 1 5 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.875 19.920 18716 2735 1 5 . 1 1 57 57 CYS H H 57 8.134 8.134 8.087 0.047 18716 2736 1 5 . 1 1 58 58 ARG N N 58 119.540 119.540 119.504 0.036 18716 2737 1 5 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.758 -0.208 18716 2738 1 5 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.777 -0.070 18716 2739 1 5 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.720 -0.271 18716 2740 1 5 . 1 1 58 58 ARG H H 58 8.488 8.488 7.956 0.532 18716 2741 1 5 . 1 1 59 59 GLN N N 59 119.852 119.852 117.203 2.649 18716 2742 1 5 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.099 -0.047 18716 2743 1 5 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.881 0.519 18716 2744 1 5 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.504 -0.270 18716 2745 1 5 . 1 1 59 59 GLN H H 59 8.016 8.016 7.927 0.089 18716 2746 1 5 . 1 1 60 60 ILE N N 60 120.790 120.790 120.147 0.643 18716 2747 1 5 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.819 -0.207 18716 2748 1 5 . 1 1 60 60 ILE CA C 60 65.651 65.651 64.508 1.143 18716 2749 1 5 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.105 -0.255 18716 2750 1 5 . 1 1 60 60 ILE H H 60 8.163 8.163 7.522 0.641 18716 2751 1 5 . 1 1 61 61 LEU N N 61 118.915 118.915 119.870 -0.955 18716 2752 1 5 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.158 -0.263 18716 2753 1 5 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.894 0.760 18716 2754 1 5 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.443 -0.667 18716 2755 1 5 . 1 1 61 61 LEU H H 61 8.370 8.370 8.506 -0.136 18716 2756 1 5 . 1 1 62 62 GLY N N 62 104.332 104.332 107.331 -2.999 18716 2757 1 5 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.804 0.380 18716 2758 1 5 . 1 1 62 62 GLY H H 62 7.883 7.883 8.450 -0.567 18716 2759 1 5 . 1 1 63 63 GLN N N 63 119.852 119.852 119.131 0.721 18716 2760 1 5 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.278 -0.130 18716 2761 1 5 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.598 0.275 18716 2762 1 5 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.193 -0.078 18716 2763 1 5 . 1 1 63 63 GLN H H 63 7.795 7.795 7.637 0.158 18716 2764 1 5 . 1 1 64 64 LEU N N 64 117.040 117.040 119.659 -2.619 18716 2765 1 5 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.143 0.115 18716 2766 1 5 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.590 -0.407 18716 2767 1 5 . 1 1 64 64 LEU CB C 64 44.198 44.198 42.091 2.107 18716 2768 1 5 . 1 1 64 64 LEU H H 64 8.252 8.252 7.536 0.716 18716 2769 1 5 . 1 1 65 65 GLN N N 65 118.915 118.915 119.660 -0.745 18716 2770 1 5 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.925 -0.146 18716 2771 1 5 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.760 0.787 18716 2772 1 5 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.492 -0.628 18716 2773 1 5 . 1 1 65 65 GLN H H 65 8.104 8.104 8.257 -0.153 18716 2774 1 5 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.342 0.041 18716 2775 1 5 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.860 1.057 18716 2776 1 5 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.160 -0.060 18716 2777 1 5 . 1 1 67 67 SER N N 67 111.415 111.415 113.048 -1.633 18716 2778 1 5 . 1 1 67 67 SER HA H 67 4.493 4.493 4.272 0.221 18716 2779 1 5 . 1 1 67 67 SER CA C 67 59.696 59.696 59.924 -0.228 18716 2780 1 5 . 1 1 67 67 SER CB C 67 64.031 64.031 63.035 0.996 18716 2781 1 5 . 1 1 67 67 SER H H 67 7.824 7.824 7.524 0.300 18716 2782 1 5 . 1 1 68 68 LEU N N 68 121.102 121.102 121.606 -0.504 18716 2783 1 5 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.793 0.023 18716 2784 1 5 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.898 0.050 18716 2785 1 5 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.411 0.358 18716 2786 1 5 . 1 1 68 68 LEU H H 68 7.647 7.647 7.965 -0.318 18716 2787 1 5 . 1 1 69 69 GLN N N 69 116.415 116.415 118.634 -2.219 18716 2788 1 5 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.045 0.024 18716 2789 1 5 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.366 0.104 18716 2790 1 5 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.006 -0.578 18716 2791 1 5 . 1 1 69 69 GLN H H 69 8.060 8.060 8.247 -0.187 18716 2792 1 5 . 1 1 70 70 THR N N 70 106.728 106.728 111.604 -4.876 18716 2793 1 5 . 1 1 70 70 THR HA H 70 4.481 4.481 4.555 -0.074 18716 2794 1 5 . 1 1 70 70 THR CA C 70 61.291 61.291 61.615 -0.324 18716 2795 1 5 . 1 1 70 70 THR CB C 70 69.415 69.415 69.096 0.319 18716 2796 1 5 . 1 1 70 70 THR H H 70 7.515 7.515 7.678 -0.163 18716 2797 1 5 . 1 1 71 71 GLY N N 71 109.540 109.540 111.622 -2.082 18716 2798 1 5 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.083 1.470 18716 2799 1 5 . 1 1 71 71 GLY H H 71 7.692 7.692 7.378 0.314 18716 2800 1 5 . 1 1 72 72 SER N N 72 114.540 114.540 114.425 0.115 18716 2801 1 5 . 1 1 72 72 SER HA H 72 4.625 4.625 4.712 -0.087 18716 2802 1 5 . 1 1 72 72 SER CA C 72 57.319 57.319 56.785 0.534 18716 2803 1 5 . 1 1 72 72 SER CB C 72 64.599 64.599 65.513 -0.914 18716 2804 1 5 . 1 1 72 72 SER H H 72 8.045 8.045 7.968 0.077 18716 2805 1 5 . 1 1 73 73 GLU N N 73 124.228 124.228 120.766 3.462 18716 2806 1 5 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.035 0.052 18716 2807 1 5 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.325 -0.945 18716 2808 1 5 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.610 -0.308 18716 2809 1 5 . 1 1 73 73 GLU H H 73 9.092 9.092 9.036 0.056 18716 2810 1 5 . 1 1 74 74 GLU N N 74 120.165 120.165 119.390 0.775 18716 2811 1 5 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.378 -0.120 18716 2812 1 5 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.287 1.019 18716 2813 1 5 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.707 -0.245 18716 2814 1 5 . 1 1 74 74 GLU H H 74 8.665 8.665 7.855 0.810 18716 2815 1 5 . 1 1 75 75 LEU N N 75 121.415 121.415 120.366 1.049 18716 2816 1 5 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.102 0.081 18716 2817 1 5 . 1 1 75 75 LEU CA C 75 57.932 57.932 58.004 -0.072 18716 2818 1 5 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.031 -0.853 18716 2819 1 5 . 1 1 75 75 LEU H H 75 7.765 7.765 7.498 0.267 18716 2820 1 5 . 1 1 76 76 ARG N N 76 119.228 119.228 119.358 -0.130 18716 2821 1 5 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.050 -0.117 18716 2822 1 5 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.238 -0.556 18716 2823 1 5 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.179 -0.982 18716 2824 1 5 . 1 1 76 76 ARG H H 76 7.868 7.868 8.356 -0.488 18716 2825 1 5 . 1 1 77 77 SER N N 77 114.228 114.228 116.074 -1.846 18716 2826 1 5 . 1 1 77 77 SER HA H 77 4.263 4.263 4.157 0.106 18716 2827 1 5 . 1 1 77 77 SER CA C 77 62.668 62.668 62.820 -0.152 18716 2828 1 5 . 1 1 77 77 SER CB C 77 62.849 62.849 62.940 -0.091 18716 2829 1 5 . 1 1 77 77 SER H H 77 8.576 8.576 7.998 0.578 18716 2830 1 5 . 1 1 78 78 LEU N N 78 125.790 125.790 123.055 2.735 18716 2831 1 5 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.297 0.124 18716 2832 1 5 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.272 0.690 18716 2833 1 5 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.323 0.595 18716 2834 1 5 . 1 1 78 78 LEU H H 78 8.458 8.458 8.078 0.380 18716 2835 1 5 . 1 1 79 79 TYR N N 79 119.852 119.852 118.943 0.909 18716 2836 1 5 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.052 -0.391 18716 2837 1 5 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.773 1.028 18716 2838 1 5 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.184 1.010 18716 2839 1 5 . 1 1 79 79 TYR H H 79 8.694 8.694 8.005 0.689 18716 2840 1 5 . 1 1 80 80 ASN N N 80 117.040 117.040 118.132 -1.092 18716 2841 1 5 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.437 -0.153 18716 2842 1 5 . 1 1 80 80 ASN CA C 80 55.787 55.787 57.291 -1.504 18716 2843 1 5 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.886 -1.047 18716 2844 1 5 . 1 1 80 80 ASN H H 80 8.871 8.871 7.880 0.991 18716 2845 1 5 . 1 1 81 81 THR N N 81 115.790 115.790 118.260 -2.470 18716 2846 1 5 . 1 1 81 81 THR HA H 81 3.945 3.945 4.216 -0.271 18716 2847 1 5 . 1 1 81 81 THR CA C 81 67.855 67.855 67.373 0.482 18716 2848 1 5 . 1 1 81 81 THR CB C 81 69.140 69.140 69.290 -0.149 18716 2849 1 5 . 1 1 81 81 THR H H 81 8.119 8.119 8.282 -0.163 18716 2850 1 5 . 1 1 82 82 ILE N N 82 121.102 121.102 121.426 -0.324 18716 2851 1 5 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.755 -0.087 18716 2852 1 5 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.549 -1.029 18716 2853 1 5 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.422 -0.936 18716 2854 1 5 . 1 1 82 82 ILE H H 82 8.090 8.090 8.730 -0.640 18716 2855 1 5 . 1 1 83 83 ALA N N 83 125.165 125.165 123.003 2.162 18716 2856 1 5 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.878 0.013 18716 2857 1 5 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.290 0.565 18716 2858 1 5 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.982 -0.141 18716 2859 1 5 . 1 1 83 83 ALA H H 83 8.782 8.782 7.469 1.313 18716 2860 1 5 . 1 1 84 84 VAL N N 84 117.665 117.665 119.008 -1.343 18716 2861 1 5 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.613 -0.285 18716 2862 1 5 . 1 1 84 84 VAL CA C 84 67.465 67.465 67.060 0.405 18716 2863 1 5 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.207 -0.513 18716 2864 1 5 . 1 1 84 84 VAL H H 84 7.795 7.795 7.534 0.261 18716 2865 1 5 . 1 1 85 85 LEU N N 85 122.040 122.040 120.919 1.121 18716 2866 1 5 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.927 -0.112 18716 2867 1 5 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.825 -0.515 18716 2868 1 5 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.920 0.228 18716 2869 1 5 . 1 1 85 85 LEU H H 85 8.163 8.163 8.228 -0.065 18716 2870 1 5 . 1 1 86 86 TYR N N 86 118.915 118.915 119.804 -0.889 18716 2871 1 5 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.093 -0.181 18716 2872 1 5 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.723 1.095 18716 2873 1 5 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.260 0.027 18716 2874 1 5 . 1 1 86 86 TYR H H 86 9.062 9.062 8.525 0.537 18716 2875 1 5 . 1 1 87 87 CYS N N 87 116.102 116.102 116.757 -0.655 18716 2876 1 5 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.912 -0.118 18716 2877 1 5 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.495 1.471 18716 2878 1 5 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.639 19.918 18716 2879 1 5 . 1 1 87 87 CYS H H 87 7.515 7.515 8.300 -0.785 18716 2880 1 5 . 1 1 88 88 VAL N N 88 119.978 119.978 120.245 -0.267 18716 2881 1 5 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.740 0.138 18716 2882 1 5 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.887 0.534 18716 2883 1 5 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.172 0.415 18716 2884 1 5 . 1 1 88 88 VAL H H 88 8.429 8.429 7.557 0.872 18716 2885 1 5 . 1 1 89 89 HIS N N 89 118.915 118.915 114.318 4.597 18716 2886 1 5 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.509 0.366 18716 2887 1 5 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.916 0.204 18716 2888 1 5 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.290 -0.207 18716 2889 1 5 . 1 1 89 89 HIS H H 89 8.797 8.797 7.328 1.469 18716 2890 1 5 . 1 1 90 90 GLN N N 90 116.728 116.728 117.554 -0.826 18716 2891 1 5 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.318 0.067 18716 2892 1 5 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.196 1.093 18716 2893 1 5 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.349 2.603 18716 2894 1 5 . 1 1 90 90 GLN H H 90 7.986 7.986 7.392 0.594 18716 2895 1 5 . 1 1 91 91 ARG N N 91 115.165 115.165 116.835 -1.670 18716 2896 1 5 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.853 0.160 18716 2897 1 5 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.451 -0.268 18716 2898 1 5 . 1 1 91 91 ARG CB C 91 26.049 26.049 28.379 -2.330 18716 2899 1 5 . 1 1 91 91 ARG H H 91 7.883 7.883 7.505 0.378 18716 2900 1 5 . 1 1 92 92 ILE N N 92 120.087 120.087 120.045 0.042 18716 2901 1 5 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.130 -0.145 18716 2902 1 5 . 1 1 92 92 ILE CA C 92 60.656 60.656 61.169 -0.513 18716 2903 1 5 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.662 0.268 18716 2904 1 5 . 1 1 92 92 ILE H H 92 8.335 8.335 7.989 0.346 18716 2905 1 5 . 1 1 93 93 ASP N N 93 129.228 129.228 128.434 0.794 18716 2906 1 5 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.854 -0.369 18716 2907 1 5 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.790 1.253 18716 2908 1 5 . 1 1 93 93 ASP CB C 93 40.396 40.396 42.009 -1.613 18716 2909 1 5 . 1 1 93 93 ASP H H 93 8.620 8.620 8.524 0.096 18716 2910 1 5 . 1 1 94 94 VAL N N 94 115.790 115.790 120.399 -4.609 18716 2911 1 5 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.595 0.038 18716 2912 1 5 . 1 1 94 94 VAL CA C 94 59.120 59.120 58.997 0.123 18716 2913 1 5 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.899 0.613 18716 2914 1 5 . 1 1 94 94 VAL H H 94 7.751 7.751 8.047 -0.296 18716 2915 1 5 . 1 1 95 95 LYS N N 95 118.915 118.915 119.692 -0.777 18716 2916 1 5 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.234 0.159 18716 2917 1 5 . 1 1 95 95 LYS CA C 95 56.671 56.671 58.594 -1.923 18716 2918 1 5 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.224 0.784 18716 2919 1 5 . 1 1 95 95 LYS H H 95 9.239 9.239 8.870 0.369 18716 2920 1 5 . 1 1 96 96 ASP N N 96 112.040 112.040 112.941 -0.901 18716 2921 1 5 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.324 0.238 18716 2922 1 5 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.587 0.242 18716 2923 1 5 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.037 1.567 18716 2924 1 5 . 1 1 96 96 ASP H H 96 7.412 7.412 7.711 -0.299 18716 2925 1 5 . 1 1 97 97 THR N N 97 109.540 109.540 113.684 -4.144 18716 2926 1 5 . 1 1 97 97 THR HA H 97 3.661 3.661 4.088 -0.427 18716 2927 1 5 . 1 1 97 97 THR CA C 97 65.947 65.947 66.366 -0.419 18716 2928 1 5 . 1 1 97 97 THR CB C 97 70.285 70.285 69.030 1.255 18716 2929 1 5 . 1 1 97 97 THR H H 97 7.250 7.250 8.220 -0.970 18716 2930 1 5 . 1 1 98 98 LYS N N 98 121.102 121.102 122.306 -1.204 18716 2931 1 5 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.970 -0.025 18716 2932 1 5 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.798 -0.170 18716 2933 1 5 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.073 -0.146 18716 2934 1 5 . 1 1 98 98 LYS H H 98 7.868 7.868 8.282 -0.414 18716 2935 1 5 . 1 1 99 99 GLU N N 99 119.228 119.228 118.531 0.697 18716 2936 1 5 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.154 -0.077 18716 2937 1 5 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.310 0.484 18716 2938 1 5 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.727 0.519 18716 2939 1 5 . 1 1 99 99 GLU H H 99 8.384 8.384 8.598 -0.214 18716 2940 1 5 . 1 1 100 100 ALA N N 100 118.915 118.915 122.908 -3.993 18716 2941 1 5 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.099 0.287 18716 2942 1 5 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.996 0.400 18716 2943 1 5 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.287 1.472 18716 2944 1 5 . 1 1 100 100 ALA H H 100 7.382 7.382 7.580 -0.198 18716 2945 1 5 . 1 1 101 101 LEU N N 101 117.978 117.978 118.495 -0.517 18716 2946 1 5 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.113 -0.093 18716 2947 1 5 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.388 0.587 18716 2948 1 5 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.105 0.388 18716 2949 1 5 . 1 1 101 101 LEU H H 101 8.119 8.119 8.042 0.077 18716 2950 1 5 . 1 1 102 102 ASP N N 102 120.478 120.478 119.922 0.556 18716 2951 1 5 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.337 0.030 18716 2952 1 5 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.470 -0.118 18716 2953 1 5 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.762 -1.040 18716 2954 1 5 . 1 1 102 102 ASP H H 102 8.679 8.679 7.732 0.947 18716 2955 1 5 . 1 1 103 103 LYS N N 103 120.165 120.165 119.136 1.029 18716 2956 1 5 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.108 0.056 18716 2957 1 5 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.457 -1.093 18716 2958 1 5 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.446 -0.914 18716 2959 1 5 . 1 1 103 103 LYS H H 103 8.207 8.207 7.909 0.298 18716 2960 1 5 . 1 1 104 104 ILE N N 104 119.852 119.852 118.880 0.972 18716 2961 1 5 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.806 0.004 18716 2962 1 5 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.111 -0.503 18716 2963 1 5 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.777 -0.343 18716 2964 1 5 . 1 1 104 104 ILE H H 104 8.163 8.163 7.528 0.635 18716 2965 1 5 . 1 1 105 105 GLU N N 105 121.415 121.415 120.784 0.631 18716 2966 1 5 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.022 0.013 18716 2967 1 5 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.960 -0.326 18716 2968 1 5 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.679 3.077 18716 2969 1 5 . 1 1 105 105 GLU H H 105 8.001 8.001 7.883 0.118 18716 2970 1 5 . 1 1 106 106 GLU N N 106 119.228 119.228 119.097 0.131 18716 2971 1 5 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.036 0.054 18716 2972 1 5 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.469 -0.202 18716 2973 1 5 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.599 -0.002 18716 2974 1 5 . 1 1 106 106 GLU H H 106 8.031 8.031 8.404 -0.373 18716 2975 1 5 . 1 1 107 107 GLU N N 107 118.915 118.915 119.607 -0.692 18716 2976 1 5 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.027 0.046 18716 2977 1 5 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.435 -0.094 18716 2978 1 5 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.558 0.312 18716 2979 1 5 . 1 1 107 107 GLU H H 107 8.016 8.016 7.917 0.099 18716 2980 1 5 . 1 1 108 108 GLN N N 108 118.290 118.290 117.401 0.889 18716 2981 1 5 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.078 0.069 18716 2982 1 5 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.419 -0.012 18716 2983 1 5 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.549 0.296 18716 2984 1 5 . 1 1 108 108 GLN H H 108 8.252 8.252 7.781 0.471 18716 2985 1 5 . 1 1 109 109 ASN N N 109 118.290 118.290 117.006 1.284 18716 2986 1 5 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.581 0.036 18716 2987 1 5 . 1 1 109 109 ASN CA C 109 54.882 54.882 55.752 -0.870 18716 2988 1 5 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.717 -0.192 18716 2989 1 5 . 1 1 109 109 ASN H H 109 8.252 8.252 7.857 0.395 18716 2990 1 5 . 1 1 110 110 LYS N N 110 120.478 120.478 119.494 0.984 18716 2991 1 5 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.137 0.093 18716 2992 1 5 . 1 1 110 110 LYS CA C 110 58.311 58.311 58.561 -0.250 18716 2993 1 5 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.411 0.280 18716 2994 1 5 . 1 1 110 110 LYS H H 110 8.031 8.031 7.592 0.439 18716 2995 1 5 . 1 1 111 111 SER N N 111 114.540 114.540 111.834 2.706 18716 2996 1 5 . 1 1 111 111 SER HA H 111 4.368 4.368 4.512 -0.144 18716 2997 1 5 . 1 1 111 111 SER CA C 111 59.764 59.764 58.965 0.799 18716 2998 1 5 . 1 1 111 111 SER CB C 111 63.442 63.442 62.629 0.813 18716 2999 1 5 . 1 1 111 111 SER H H 111 8.031 8.031 7.506 0.525 18716 3000 1 5 . 1 1 112 112 LYS N N 112 122.040 122.040 121.670 0.370 18716 3001 1 5 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.461 -0.216 18716 3002 1 5 . 1 1 112 112 LYS CA C 112 57.329 57.329 56.535 0.794 18716 3003 1 5 . 1 1 112 112 LYS CB C 112 32.775 32.775 33.648 -0.873 18716 3004 1 5 . 1 1 112 112 LYS H H 112 7.957 7.957 7.704 0.253 18716 3005 1 5 . 1 1 113 113 LYS N N 113 120.790 120.790 119.893 0.897 18716 3006 1 5 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.167 -0.017 18716 3007 1 5 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.112 0.022 18716 3008 1 5 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.525 0.241 18716 3009 1 5 . 1 1 113 113 LYS H H 113 8.016 8.016 7.815 0.201 18716 3010 1 5 . 1 1 114 114 LYS N N 114 121.728 121.728 118.194 3.534 18716 3011 1 5 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.140 0.123 18716 3012 1 5 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.637 -1.452 18716 3013 1 5 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.539 0.318 18716 3014 1 5 . 1 1 114 114 LYS H H 114 8.119 8.119 8.320 -0.201 18716 3015 1 5 . 1 1 115 115 ALA N N 115 124.228 124.228 118.997 5.231 18716 3016 1 5 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.459 -0.191 18716 3017 1 5 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.112 0.923 18716 3018 1 5 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.230 0.808 18716 3019 1 5 . 1 1 115 115 ALA H H 115 8.178 8.178 7.309 0.869 18716 3020 1 5 . 1 1 116 116 GLN N N 116 119.228 119.228 117.577 1.651 18716 3021 1 5 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.496 -0.248 18716 3022 1 5 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.967 0.582 18716 3023 1 5 . 1 1 116 116 GLN H H 116 8.237 8.237 7.647 0.590 18716 3024 1 5 . 1 1 117 117 GLN N N 117 120.478 120.478 120.392 0.086 18716 3025 1 5 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.230 0.039 18716 3026 1 5 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.843 -1.519 18716 3027 1 5 . 1 1 117 117 GLN CB C 117 29.606 29.606 29.239 0.367 18716 3028 1 5 . 1 1 117 117 GLN H H 117 8.266 8.266 8.570 -0.304 18716 3029 1 5 . 1 1 118 118 ALA N N 118 124.852 124.852 120.746 4.106 18716 3030 1 5 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.541 -0.265 18716 3031 1 5 . 1 1 118 118 ALA CA C 118 52.837 52.837 51.599 1.238 18716 3032 1 5 . 1 1 118 118 ALA CB C 118 19.062 19.062 17.985 1.077 18716 3033 1 5 . 1 1 118 118 ALA H H 118 8.266 8.266 8.055 0.211 18716 3034 1 5 . 1 1 119 119 ALA N N 119 122.978 122.978 119.962 3.016 18716 3035 1 5 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.367 -0.073 18716 3036 1 5 . 1 1 119 119 ALA CA C 119 52.637 52.637 53.076 -0.439 18716 3037 1 5 . 1 1 119 119 ALA CB C 119 19.201 19.201 19.287 -0.086 18716 3038 1 5 . 1 1 119 119 ALA H H 119 8.163 8.163 8.074 0.089 18716 3039 1 5 . 1 1 120 120 ALA N N 120 122.665 122.665 121.901 0.764 18716 3040 1 5 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.422 -0.145 18716 3041 1 5 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.258 0.478 18716 3042 1 5 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.218 -0.051 18716 3043 1 5 . 1 1 120 120 ALA H H 120 8.163 8.163 7.985 0.178 18716 3044 1 5 . 1 1 121 121 ASP N N 121 119.228 119.228 118.962 0.266 18716 3045 1 5 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.652 0.030 18716 3046 1 5 . 1 1 121 121 ASP CA C 121 54.264 54.264 53.775 0.489 18716 3047 1 5 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.124 1.004 18716 3048 1 5 . 1 1 121 121 ASP H H 121 8.252 8.252 8.118 0.134 18716 3049 1 5 . 1 1 122 122 THR N N 122 113.602 113.602 112.301 1.301 18716 3050 1 5 . 1 1 122 122 THR HA H 122 4.358 4.358 4.441 -0.083 18716 3051 1 5 . 1 1 122 122 THR CA C 122 61.971 61.971 61.928 0.043 18716 3052 1 5 . 1 1 122 122 THR CB C 122 69.586 69.586 69.862 -0.276 18716 3053 1 5 . 1 1 122 122 THR H H 122 8.075 8.075 7.603 0.472 18716 3054 1 5 . 1 1 123 123 GLY N N 123 110.478 110.478 110.061 0.417 18716 3055 1 5 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.677 0.926 18716 3056 1 5 . 1 1 123 123 GLY H H 123 8.414 8.414 8.394 0.020 18716 3057 1 5 . 1 1 124 124 ASN N N 124 118.602 118.602 118.311 0.291 18716 3058 1 5 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.576 0.032 18716 3059 1 5 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.713 2.020 18716 3060 1 5 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.259 -0.721 18716 3061 1 5 . 1 1 124 124 ASN H H 124 8.266 8.266 8.447 -0.181 18716 3062 1 5 . 1 1 125 125 ASN N N 125 119.228 119.228 116.073 3.155 18716 3063 1 5 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.789 -0.065 18716 3064 1 5 . 1 1 125 125 ASN CA C 125 53.453 53.453 52.548 0.904 18716 3065 1 5 . 1 1 125 125 ASN CB C 125 38.813 38.813 40.764 -1.951 18716 3066 1 5 . 1 1 125 125 ASN H H 125 8.443 8.443 8.292 0.151 18716 3067 1 5 . 1 1 126 126 SER N N 126 115.790 115.790 117.182 -1.392 18716 3068 1 5 . 1 1 126 126 SER HA H 126 4.388 4.388 4.566 -0.178 18716 3069 1 5 . 1 1 126 126 SER CA C 126 58.851 58.851 58.782 0.069 18716 3070 1 5 . 1 1 126 126 SER CB C 126 63.926 63.926 63.807 0.119 18716 3071 1 5 . 1 1 126 126 SER H H 126 8.266 8.266 8.483 -0.217 18716 3072 1 5 . 1 1 127 127 GLN N N 127 121.728 121.728 123.613 -1.885 18716 3073 1 5 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.570 -0.247 18716 3074 1 5 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.627 0.596 18716 3075 1 5 . 1 1 127 127 GLN CB C 127 29.168 29.168 30.213 -1.045 18716 3076 1 5 . 1 1 127 127 GLN H H 127 8.355 8.355 8.448 -0.093 18716 3077 1 5 . 1 1 128 128 VAL N N 128 119.852 119.852 120.709 -0.857 18716 3078 1 5 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.294 -0.185 18716 3079 1 5 . 1 1 128 128 VAL CA C 128 62.665 62.665 62.773 -0.107 18716 3080 1 5 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.663 0.106 18716 3081 1 5 . 1 1 128 128 VAL H H 128 7.986 7.986 8.460 -0.474 18716 3082 1 5 . 1 1 129 129 SER N N 129 117.978 117.978 117.450 0.528 18716 3083 1 5 . 1 1 129 129 SER HA H 129 4.136 4.136 4.831 -0.695 18716 3084 1 5 . 1 1 129 129 SER CA C 129 58.404 58.404 57.854 0.550 18716 3085 1 5 . 1 1 129 129 SER CB C 129 63.755 63.755 65.745 -1.990 18716 3086 1 5 . 1 1 129 129 SER H H 129 8.252 8.252 8.684 -0.432 18716 3087 1 5 . 1 1 130 130 GLN N N 130 121.728 121.728 121.451 0.277 18716 3088 1 5 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.501 -0.146 18716 3089 1 5 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.531 0.619 18716 3090 1 5 . 1 1 130 130 GLN CB C 130 29.373 29.373 31.328 -1.955 18716 3091 1 5 . 1 1 130 130 GLN H H 130 8.355 8.355 8.525 -0.170 18716 3092 1 5 . 1 1 131 131 ASN N N 131 118.290 118.290 120.445 -2.155 18716 3093 1 5 . 1 1 131 131 ASN HA H 131 4.632 4.632 5.088 -0.456 18716 3094 1 5 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.122 0.446 18716 3095 1 5 . 1 1 131 131 ASN H H 131 8.252 8.252 8.535 -0.283 18716 3096 1 6 . 1 1 3 3 ALA N N 3 123.842 123.842 125.082 -1.240 18716 3097 1 6 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.625 -0.297 18716 3098 1 6 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.146 0.391 18716 3099 1 6 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.260 -2.009 18716 3100 1 6 . 1 1 3 3 ALA H H 3 8.183 8.183 8.113 0.070 18716 3101 1 6 . 1 1 4 4 ARG N N 4 120.165 120.165 122.686 -2.521 18716 3102 1 6 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.399 -0.143 18716 3103 1 6 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.809 0.156 18716 3104 1 6 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.850 0.111 18716 3105 1 6 . 1 1 4 4 ARG H H 4 8.429 8.429 8.254 0.175 18716 3106 1 6 . 1 1 5 5 ALA N N 5 125.165 125.165 128.400 -3.235 18716 3107 1 6 . 1 1 5 5 ALA HA H 5 4.282 4.282 3.969 0.313 18716 3108 1 6 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.367 0.004 18716 3109 1 6 . 1 1 5 5 ALA CB C 5 19.672 19.672 17.686 1.986 18716 3110 1 6 . 1 1 5 5 ALA H H 5 8.370 8.370 8.761 -0.391 18716 3111 1 6 . 1 1 6 6 SER N N 6 114.540 114.540 111.767 2.773 18716 3112 1 6 . 1 1 6 6 SER HA H 6 4.479 4.479 4.105 0.374 18716 3113 1 6 . 1 1 6 6 SER CA C 6 57.804 57.804 58.916 -1.112 18716 3114 1 6 . 1 1 6 6 SER CB C 6 64.034 64.034 63.658 0.376 18716 3115 1 6 . 1 1 6 6 SER H H 6 8.134 8.134 7.953 0.181 18716 3116 1 6 . 1 1 7 7 VAL N N 7 121.415 121.415 119.178 2.237 18716 3117 1 6 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.064 -0.447 18716 3118 1 6 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.408 1.303 18716 3119 1 6 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.070 -0.134 18716 3120 1 6 . 1 1 7 7 VAL H H 7 8.119 8.119 8.107 0.012 18716 3121 1 6 . 1 1 8 8 LEU N N 8 115.478 115.478 117.761 -2.283 18716 3122 1 6 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.614 0.300 18716 3123 1 6 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.464 -0.989 18716 3124 1 6 . 1 1 8 8 LEU CB C 8 44.314 44.314 43.047 1.267 18716 3125 1 6 . 1 1 8 8 LEU H H 8 7.382 7.382 7.617 -0.235 18716 3126 1 6 . 1 1 9 9 SER N N 9 118.290 118.290 118.149 0.141 18716 3127 1 6 . 1 1 9 9 SER HA H 9 4.606 4.606 4.587 0.019 18716 3128 1 6 . 1 1 9 9 SER CA C 9 57.197 57.197 57.405 -0.208 18716 3129 1 6 . 1 1 9 9 SER CB C 9 65.426 65.426 65.175 0.251 18716 3130 1 6 . 1 1 9 9 SER H H 9 9.166 9.166 8.831 0.335 18716 3131 1 6 . 1 1 10 10 GLY N N 10 109.228 109.228 108.605 0.623 18716 3132 1 6 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.964 0.710 18716 3133 1 6 . 1 1 10 10 GLY H H 10 8.959 8.959 8.674 0.285 18716 3134 1 6 . 1 1 11 11 GLY N N 11 111.102 111.102 109.901 1.201 18716 3135 1 6 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.498 0.163 18716 3136 1 6 . 1 1 11 11 GLY H H 11 8.782 8.782 7.832 0.950 18716 3137 1 6 . 1 1 12 12 GLU N N 12 120.165 120.165 122.060 -1.895 18716 3138 1 6 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.064 -0.114 18716 3139 1 6 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.711 0.385 18716 3140 1 6 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.563 1.727 18716 3141 1 6 . 1 1 12 12 GLU H H 12 7.751 7.751 7.526 0.225 18716 3142 1 6 . 1 1 13 13 LEU N N 13 121.415 121.415 121.943 -0.528 18716 3143 1 6 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.017 0.091 18716 3144 1 6 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.388 -0.326 18716 3145 1 6 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.836 -0.900 18716 3146 1 6 . 1 1 13 13 LEU H H 13 8.340 8.340 8.421 -0.081 18716 3147 1 6 . 1 1 14 14 ASP N N 14 116.415 116.415 118.978 -2.563 18716 3148 1 6 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.355 0.038 18716 3149 1 6 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.752 -0.616 18716 3150 1 6 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.439 0.647 18716 3151 1 6 . 1 1 14 14 ASP H H 14 7.574 7.574 7.928 -0.354 18716 3152 1 6 . 1 1 15 15 LYS N N 15 115.478 115.478 120.251 -4.773 18716 3153 1 6 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.095 -0.049 18716 3154 1 6 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.938 -1.536 18716 3155 1 6 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.531 -0.172 18716 3156 1 6 . 1 1 15 15 LYS H H 15 7.117 7.117 7.382 -0.265 18716 3157 1 6 . 1 1 16 16 TRP N N 16 121.693 121.693 121.455 0.238 18716 3158 1 6 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.123 -0.098 18716 3159 1 6 . 1 1 16 16 TRP CA C 16 60.286 60.286 61.035 -0.750 18716 3160 1 6 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.474 1.639 18716 3161 1 6 . 1 1 16 16 TRP H H 16 8.646 8.646 8.525 0.121 18716 3162 1 6 . 1 1 17 17 GLU N N 17 127.710 127.710 115.496 12.214 18716 3163 1 6 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.462 0.229 18716 3164 1 6 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.536 -1.767 18716 3165 1 6 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.563 0.182 18716 3166 1 6 . 1 1 17 17 GLU H H 17 7.571 7.571 8.165 -0.594 18716 3167 1 6 . 1 1 18 18 LYS N N 18 115.790 115.790 118.482 -2.692 18716 3168 1 6 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.186 0.311 18716 3169 1 6 . 1 1 18 18 LYS CA C 18 55.569 55.569 56.687 -1.118 18716 3170 1 6 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.238 0.701 18716 3171 1 6 . 1 1 18 18 LYS H H 18 7.456 7.456 7.632 -0.176 18716 3172 1 6 . 1 1 19 19 ILE N N 19 124.228 124.228 120.927 3.301 18716 3173 1 6 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.865 -0.308 18716 3174 1 6 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.548 -0.428 18716 3175 1 6 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.678 0.504 18716 3176 1 6 . 1 1 19 19 ILE H H 19 7.633 7.633 8.096 -0.463 18716 3177 1 6 . 1 1 20 20 ARG N N 20 125.790 125.790 123.661 2.129 18716 3178 1 6 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.591 -0.163 18716 3179 1 6 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.768 1.727 18716 3180 1 6 . 1 1 20 20 ARG CB C 20 31.537 31.537 32.140 -0.603 18716 3181 1 6 . 1 1 20 20 ARG H H 20 8.031 8.031 8.514 -0.483 18716 3182 1 6 . 1 1 21 21 LEU N N 21 120.165 120.165 120.361 -0.196 18716 3183 1 6 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.858 -0.427 18716 3184 1 6 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.340 0.895 18716 3185 1 6 . 1 1 21 21 LEU CB C 21 41.554 41.554 42.171 -0.617 18716 3186 1 6 . 1 1 21 21 LEU H H 21 7.810 7.810 8.222 -0.412 18716 3187 1 6 . 1 1 22 22 ARG N N 22 119.540 119.540 114.276 5.264 18716 3188 1 6 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.668 0.177 18716 3189 1 6 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.175 -0.331 18716 3190 1 6 . 1 1 22 22 ARG CB C 22 31.617 31.617 29.792 1.825 18716 3191 1 6 . 1 1 22 22 ARG H H 22 8.974 8.974 7.547 1.427 18716 3192 1 6 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.484 -0.124 18716 3193 1 6 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.347 -0.912 18716 3194 1 6 . 1 1 23 23 PRO CB C 23 31.565 31.565 31.962 -0.397 18716 3195 1 6 . 1 1 24 24 GLY N N 24 112.665 112.665 108.623 4.042 18716 3196 1 6 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.323 1.482 18716 3197 1 6 . 1 1 24 24 GLY H H 24 9.138 9.138 8.136 1.002 18716 3198 1 6 . 1 1 25 25 GLY N N 25 107.978 107.978 107.234 0.744 18716 3199 1 6 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.940 -0.368 18716 3200 1 6 . 1 1 25 25 GLY H H 25 8.134 8.134 7.354 0.780 18716 3201 1 6 . 1 1 26 26 LYS N N 26 117.665 117.665 119.804 -2.139 18716 3202 1 6 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.452 -0.188 18716 3203 1 6 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.340 0.513 18716 3204 1 6 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.947 1.109 18716 3205 1 6 . 1 1 26 26 LYS H H 26 8.665 8.665 8.240 0.425 18716 3206 1 6 . 1 1 27 27 LYS N N 27 117.925 117.925 120.539 -2.614 18716 3207 1 6 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.584 -0.273 18716 3208 1 6 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.115 2.096 18716 3209 1 6 . 1 1 27 27 LYS CB C 27 33.878 33.878 35.245 -1.367 18716 3210 1 6 . 1 1 27 27 LYS H H 27 7.817 7.817 7.739 0.078 18716 3211 1 6 . 1 1 28 28 GLN N N 28 122.978 122.978 119.366 3.612 18716 3212 1 6 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.571 0.245 18716 3213 1 6 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.293 0.180 18716 3214 1 6 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.363 3.692 18716 3215 1 6 . 1 1 28 28 GLN H H 28 8.458 8.458 8.294 0.164 18716 3216 1 6 . 1 1 29 29 TYR N N 29 119.540 119.540 119.383 0.157 18716 3217 1 6 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.524 -0.792 18716 3218 1 6 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.761 2.249 18716 3219 1 6 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.790 -2.574 18716 3220 1 6 . 1 1 29 29 TYR H H 29 7.824 7.824 8.603 -0.779 18716 3221 1 6 . 1 1 30 30 LYS N N 30 117.978 117.978 121.006 -3.028 18716 3222 1 6 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.881 0.335 18716 3223 1 6 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.351 -1.286 18716 3224 1 6 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.376 2.212 18716 3225 1 6 . 1 1 30 30 LYS H H 30 10.610 10.610 9.291 1.319 18716 3226 1 6 . 1 1 31 31 LEU N N 31 128.602 128.602 125.216 3.386 18716 3227 1 6 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.138 0.043 18716 3228 1 6 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.293 0.941 18716 3229 1 6 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.799 -0.797 18716 3230 1 6 . 1 1 31 31 LEU H H 31 9.991 9.991 8.787 1.204 18716 3231 1 6 . 1 1 32 32 LYS N N 32 115.165 115.165 118.488 -3.323 18716 3232 1 6 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.950 0.195 18716 3233 1 6 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.370 -0.273 18716 3234 1 6 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.756 -0.197 18716 3235 1 6 . 1 1 32 32 LYS H H 32 8.399 8.399 8.640 -0.241 18716 3236 1 6 . 1 1 33 33 HIS N N 33 119.540 119.540 117.447 2.093 18716 3237 1 6 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.712 -0.108 18716 3238 1 6 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.531 3.360 18716 3239 1 6 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.657 2.127 18716 3240 1 6 . 1 1 33 33 HIS H H 33 8.193 8.193 7.969 0.224 18716 3241 1 6 . 1 1 34 34 ILE N N 34 119.540 119.540 120.731 -1.191 18716 3242 1 6 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.793 0.001 18716 3243 1 6 . 1 1 34 34 ILE CA C 34 63.848 63.848 65.165 -1.317 18716 3244 1 6 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.653 -0.674 18716 3245 1 6 . 1 1 34 34 ILE H H 34 7.898 7.898 7.550 0.348 18716 3246 1 6 . 1 1 35 35 VAL N N 35 122.040 122.040 118.687 3.353 18716 3247 1 6 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.805 -0.194 18716 3248 1 6 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.542 0.204 18716 3249 1 6 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.345 0.797 18716 3250 1 6 . 1 1 35 35 VAL H H 35 7.706 7.706 8.499 -0.793 18716 3251 1 6 . 1 1 36 36 TRP N N 36 119.986 119.986 122.027 -2.041 18716 3252 1 6 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.232 0.001 18716 3253 1 6 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.891 0.219 18716 3254 1 6 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.418 -1.006 18716 3255 1 6 . 1 1 36 36 TRP H H 36 8.452 8.452 7.640 0.812 18716 3256 1 6 . 1 1 37 37 ALA N N 37 120.478 120.478 120.589 -0.111 18716 3257 1 6 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.577 -0.185 18716 3258 1 6 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.246 -0.109 18716 3259 1 6 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.194 -0.764 18716 3260 1 6 . 1 1 37 37 ALA H H 37 8.311 8.311 8.409 -0.098 18716 3261 1 6 . 1 1 38 38 SER N N 38 111.415 111.415 113.626 -2.211 18716 3262 1 6 . 1 1 38 38 SER HA H 38 3.906 3.906 3.977 -0.071 18716 3263 1 6 . 1 1 38 38 SER CA C 38 62.801 62.801 62.942 -0.141 18716 3264 1 6 . 1 1 38 38 SER CB C 38 62.829 62.829 62.959 -0.130 18716 3265 1 6 . 1 1 38 38 SER H H 38 8.259 8.259 7.745 0.514 18716 3266 1 6 . 1 1 39 39 ARG N N 39 119.852 119.852 121.048 -1.196 18716 3267 1 6 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.905 0.241 18716 3268 1 6 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.187 -0.777 18716 3269 1 6 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.109 -0.101 18716 3270 1 6 . 1 1 39 39 ARG H H 39 7.559 7.559 7.587 -0.028 18716 3271 1 6 . 1 1 40 40 GLU N N 40 121.102 121.102 119.249 1.853 18716 3272 1 6 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.693 0.094 18716 3273 1 6 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.578 -0.297 18716 3274 1 6 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.613 1.061 18716 3275 1 6 . 1 1 40 40 GLU H H 40 8.222 8.222 7.385 0.837 18716 3276 1 6 . 1 1 41 41 LEU N N 41 117.040 117.040 120.224 -3.184 18716 3277 1 6 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.050 -0.090 18716 3278 1 6 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.967 0.330 18716 3279 1 6 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.866 -1.686 18716 3280 1 6 . 1 1 41 41 LEU H H 41 8.016 8.016 8.192 -0.176 18716 3281 1 6 . 1 1 42 42 GLU N N 42 117.352 117.352 119.163 -1.811 18716 3282 1 6 . 1 1 42 42 GLU HA H 42 4.127 4.127 3.981 0.146 18716 3283 1 6 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.404 0.167 18716 3284 1 6 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.169 0.496 18716 3285 1 6 . 1 1 42 42 GLU H H 42 7.559 7.559 7.768 -0.209 18716 3286 1 6 . 1 1 43 43 ARG N N 43 119.540 119.540 118.893 0.647 18716 3287 1 6 . 1 1 43 43 ARG HA H 43 4.027 4.027 3.969 0.058 18716 3288 1 6 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.593 0.008 18716 3289 1 6 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.021 -0.356 18716 3290 1 6 . 1 1 43 43 ARG H H 43 7.647 7.647 7.265 0.382 18716 3291 1 6 . 1 1 44 44 PHE N N 44 117.665 117.665 117.908 -0.243 18716 3292 1 6 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.661 -0.045 18716 3293 1 6 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.426 0.999 18716 3294 1 6 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.156 0.998 18716 3295 1 6 . 1 1 44 44 PHE H H 44 7.529 7.529 7.552 -0.023 18716 3296 1 6 . 1 1 45 45 ALA N N 45 118.915 118.915 120.220 -1.305 18716 3297 1 6 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.939 0.076 18716 3298 1 6 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.310 0.104 18716 3299 1 6 . 1 1 45 45 ALA CB C 45 16.281 16.281 16.993 -0.712 18716 3300 1 6 . 1 1 45 45 ALA H H 45 7.928 7.928 7.728 0.200 18716 3301 1 6 . 1 1 46 46 VAL N N 46 119.540 119.540 119.851 -0.311 18716 3302 1 6 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.197 -0.102 18716 3303 1 6 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.988 -0.199 18716 3304 1 6 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.142 0.279 18716 3305 1 6 . 1 1 46 46 VAL H H 46 7.765 7.765 7.633 0.132 18716 3306 1 6 . 1 1 47 47 ASN N N 47 125.790 125.790 126.326 -0.536 18716 3307 1 6 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.675 -0.029 18716 3308 1 6 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.417 -1.420 18716 3309 1 6 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.228 0.858 18716 3310 1 6 . 1 1 47 47 ASN H H 47 8.399 8.399 8.819 -0.420 18716 3311 1 6 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.348 -0.126 18716 3312 1 6 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.476 -0.162 18716 3313 1 6 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.819 -0.079 18716 3314 1 6 . 1 1 49 49 GLY N N 49 108.290 108.290 108.756 -0.466 18716 3315 1 6 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.665 -0.135 18716 3316 1 6 . 1 1 49 49 GLY H H 49 8.620 8.620 7.780 0.840 18716 3317 1 6 . 1 1 50 50 LEU N N 50 121.728 121.728 121.800 -0.072 18716 3318 1 6 . 1 1 50 50 LEU HA H 50 4.137 4.137 3.959 0.178 18716 3319 1 6 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.808 0.491 18716 3320 1 6 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.618 -0.055 18716 3321 1 6 . 1 1 50 50 LEU H H 50 7.765 7.765 8.196 -0.431 18716 3322 1 6 . 1 1 51 51 LEU N N 51 112.040 112.040 117.098 -5.058 18716 3323 1 6 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.145 0.081 18716 3324 1 6 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.809 -0.302 18716 3325 1 6 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.049 0.441 18716 3326 1 6 . 1 1 51 51 LEU H H 51 7.412 7.412 7.653 -0.241 18716 3327 1 6 . 1 1 52 52 GLU N N 52 114.540 114.540 116.977 -2.437 18716 3328 1 6 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.223 -0.168 18716 3329 1 6 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.988 1.396 18716 3330 1 6 . 1 1 52 52 GLU CB C 52 31.058 31.058 30.198 0.860 18716 3331 1 6 . 1 1 52 52 GLU H H 52 7.500 7.500 7.843 -0.343 18716 3332 1 6 . 1 1 53 53 THR N N 53 122.978 122.978 110.330 12.648 18716 3333 1 6 . 1 1 53 53 THR HA H 53 4.402 4.402 4.328 0.074 18716 3334 1 6 . 1 1 53 53 THR CA C 53 58.306 58.306 60.244 -1.938 18716 3335 1 6 . 1 1 53 53 THR CB C 53 73.222 73.222 71.636 1.586 18716 3336 1 6 . 1 1 53 53 THR H H 53 7.235 7.235 7.262 -0.027 18716 3337 1 6 . 1 1 54 54 SER N N 54 119.228 119.228 121.183 -1.955 18716 3338 1 6 . 1 1 54 54 SER HA H 54 4.043 4.043 4.117 -0.074 18716 3339 1 6 . 1 1 54 54 SER CA C 54 62.657 62.657 61.526 1.131 18716 3340 1 6 . 1 1 54 54 SER CB C 54 62.562 62.562 62.930 -0.368 18716 3341 1 6 . 1 1 54 54 SER H H 54 9.313 9.313 8.828 0.485 18716 3342 1 6 . 1 1 55 55 GLU N N 55 121.233 121.233 121.121 0.112 18716 3343 1 6 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.271 -0.202 18716 3344 1 6 . 1 1 55 55 GLU CA C 55 59.675 59.675 59.359 0.316 18716 3345 1 6 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.384 -0.384 18716 3346 1 6 . 1 1 55 55 GLU H H 55 8.975 8.975 8.549 0.426 18716 3347 1 6 . 1 1 56 56 GLY N N 56 110.790 110.790 108.189 2.601 18716 3348 1 6 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.149 0.717 18716 3349 1 6 . 1 1 56 56 GLY H H 56 8.517 8.517 8.097 0.420 18716 3350 1 6 . 1 1 57 57 CYS N N 57 118.602 118.602 120.349 -1.747 18716 3351 1 6 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.039 -0.015 18716 3352 1 6 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.986 0.616 18716 3353 1 6 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.526 20.269 18716 3354 1 6 . 1 1 57 57 CYS H H 57 8.134 8.134 7.856 0.278 18716 3355 1 6 . 1 1 58 58 ARG N N 58 119.540 119.540 119.732 -0.192 18716 3356 1 6 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.752 -0.202 18716 3357 1 6 . 1 1 58 58 ARG CA C 58 59.707 59.707 60.060 -0.353 18716 3358 1 6 . 1 1 58 58 ARG CB C 58 29.449 29.449 30.004 -0.555 18716 3359 1 6 . 1 1 58 58 ARG H H 58 8.488 8.488 7.803 0.685 18716 3360 1 6 . 1 1 59 59 GLN N N 59 119.852 119.852 117.235 2.617 18716 3361 1 6 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.107 -0.055 18716 3362 1 6 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.742 0.658 18716 3363 1 6 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.401 -0.167 18716 3364 1 6 . 1 1 59 59 GLN H H 59 8.016 8.016 7.573 0.443 18716 3365 1 6 . 1 1 60 60 ILE N N 60 120.790 120.790 120.573 0.217 18716 3366 1 6 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.750 -0.138 18716 3367 1 6 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.306 0.344 18716 3368 1 6 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.960 -0.110 18716 3369 1 6 . 1 1 60 60 ILE H H 60 8.163 8.163 7.748 0.415 18716 3370 1 6 . 1 1 61 61 LEU N N 61 118.915 118.915 119.488 -0.573 18716 3371 1 6 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.095 -0.200 18716 3372 1 6 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.984 0.670 18716 3373 1 6 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.255 -0.478 18716 3374 1 6 . 1 1 61 61 LEU H H 61 8.370 8.370 8.791 -0.421 18716 3375 1 6 . 1 1 62 62 GLY N N 62 104.332 104.332 106.618 -2.286 18716 3376 1 6 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.905 0.279 18716 3377 1 6 . 1 1 62 62 GLY H H 62 7.883 7.883 8.026 -0.143 18716 3378 1 6 . 1 1 63 63 GLN N N 63 119.852 119.852 119.296 0.556 18716 3379 1 6 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.260 -0.112 18716 3380 1 6 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.723 0.150 18716 3381 1 6 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.186 -0.071 18716 3382 1 6 . 1 1 63 63 GLN H H 63 7.795 7.795 7.550 0.245 18716 3383 1 6 . 1 1 64 64 LEU N N 64 117.040 117.040 119.720 -2.680 18716 3384 1 6 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.080 0.178 18716 3385 1 6 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.696 -0.513 18716 3386 1 6 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.942 2.256 18716 3387 1 6 . 1 1 64 64 LEU H H 64 8.252 8.252 7.650 0.602 18716 3388 1 6 . 1 1 65 65 GLN N N 65 118.915 118.915 119.497 -0.582 18716 3389 1 6 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.775 0.004 18716 3390 1 6 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.924 0.623 18716 3391 1 6 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.869 -1.005 18716 3392 1 6 . 1 1 65 65 GLN H H 65 8.104 8.104 8.384 -0.280 18716 3393 1 6 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.330 0.053 18716 3394 1 6 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.961 0.956 18716 3395 1 6 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.189 -0.089 18716 3396 1 6 . 1 1 67 67 SER N N 67 111.415 111.415 113.294 -1.879 18716 3397 1 6 . 1 1 67 67 SER HA H 67 4.493 4.493 4.331 0.162 18716 3398 1 6 . 1 1 67 67 SER CA C 67 59.696 59.696 60.845 -1.149 18716 3399 1 6 . 1 1 67 67 SER CB C 67 64.031 64.031 63.377 0.654 18716 3400 1 6 . 1 1 67 67 SER H H 67 7.824 7.824 7.489 0.335 18716 3401 1 6 . 1 1 68 68 LEU N N 68 121.102 121.102 121.950 -0.848 18716 3402 1 6 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.799 0.017 18716 3403 1 6 . 1 1 68 68 LEU CA C 68 57.948 57.948 58.094 -0.146 18716 3404 1 6 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.332 0.437 18716 3405 1 6 . 1 1 68 68 LEU H H 68 7.647 7.647 8.044 -0.397 18716 3406 1 6 . 1 1 69 69 GLN N N 69 116.415 116.415 118.405 -1.990 18716 3407 1 6 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.063 0.006 18716 3408 1 6 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.561 -0.091 18716 3409 1 6 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.052 -0.624 18716 3410 1 6 . 1 1 69 69 GLN H H 69 8.060 8.060 8.377 -0.317 18716 3411 1 6 . 1 1 70 70 THR N N 70 106.728 106.728 109.199 -2.471 18716 3412 1 6 . 1 1 70 70 THR HA H 70 4.481 4.481 4.547 -0.066 18716 3413 1 6 . 1 1 70 70 THR CA C 70 61.291 61.291 60.958 0.333 18716 3414 1 6 . 1 1 70 70 THR CB C 70 69.415 69.415 69.462 -0.047 18716 3415 1 6 . 1 1 70 70 THR H H 70 7.515 7.515 7.663 -0.148 18716 3416 1 6 . 1 1 71 71 GLY N N 71 109.540 109.540 110.315 -0.775 18716 3417 1 6 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.112 1.441 18716 3418 1 6 . 1 1 71 71 GLY H H 71 7.692 7.692 7.480 0.212 18716 3419 1 6 . 1 1 72 72 SER N N 72 114.540 114.540 115.227 -0.687 18716 3420 1 6 . 1 1 72 72 SER HA H 72 4.625 4.625 4.683 -0.058 18716 3421 1 6 . 1 1 72 72 SER CA C 72 57.319 57.319 57.068 0.251 18716 3422 1 6 . 1 1 72 72 SER CB C 72 64.599 64.599 65.661 -1.062 18716 3423 1 6 . 1 1 72 72 SER H H 72 8.045 8.045 8.023 0.022 18716 3424 1 6 . 1 1 73 73 GLU N N 73 124.228 124.228 120.735 3.493 18716 3425 1 6 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.095 -0.008 18716 3426 1 6 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.687 -0.307 18716 3427 1 6 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.446 -0.144 18716 3428 1 6 . 1 1 73 73 GLU H H 73 9.092 9.092 9.045 0.047 18716 3429 1 6 . 1 1 74 74 GLU N N 74 120.165 120.165 119.570 0.595 18716 3430 1 6 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.427 -0.169 18716 3431 1 6 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.637 0.669 18716 3432 1 6 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.700 -0.237 18716 3433 1 6 . 1 1 74 74 GLU H H 74 8.665 8.665 7.905 0.760 18716 3434 1 6 . 1 1 75 75 LEU N N 75 121.415 121.415 120.429 0.986 18716 3435 1 6 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.119 0.064 18716 3436 1 6 . 1 1 75 75 LEU CA C 75 57.932 57.932 57.923 0.008 18716 3437 1 6 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.072 -0.894 18716 3438 1 6 . 1 1 75 75 LEU H H 75 7.765 7.765 7.861 -0.096 18716 3439 1 6 . 1 1 76 76 ARG N N 76 119.228 119.228 119.290 -0.062 18716 3440 1 6 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.056 -0.123 18716 3441 1 6 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.968 -0.286 18716 3442 1 6 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.359 -1.162 18716 3443 1 6 . 1 1 76 76 ARG H H 76 7.868 7.868 8.488 -0.620 18716 3444 1 6 . 1 1 77 77 SER N N 77 114.228 114.228 116.601 -2.373 18716 3445 1 6 . 1 1 77 77 SER HA H 77 4.263 4.263 4.207 0.056 18716 3446 1 6 . 1 1 77 77 SER CA C 77 62.668 62.668 62.629 0.039 18716 3447 1 6 . 1 1 77 77 SER CB C 77 62.849 62.849 63.174 -0.325 18716 3448 1 6 . 1 1 77 77 SER H H 77 8.576 8.576 8.166 0.410 18716 3449 1 6 . 1 1 78 78 LEU N N 78 125.790 125.790 122.930 2.860 18716 3450 1 6 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.319 0.102 18716 3451 1 6 . 1 1 78 78 LEU CA C 78 58.962 58.962 57.931 1.031 18716 3452 1 6 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.283 0.635 18716 3453 1 6 . 1 1 78 78 LEU H H 78 8.458 8.458 8.233 0.225 18716 3454 1 6 . 1 1 79 79 TYR N N 79 119.852 119.852 119.283 0.569 18716 3455 1 6 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.039 -0.378 18716 3456 1 6 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.988 0.814 18716 3457 1 6 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.147 1.047 18716 3458 1 6 . 1 1 79 79 TYR H H 79 8.694 8.694 8.022 0.672 18716 3459 1 6 . 1 1 80 80 ASN N N 80 117.040 117.040 117.828 -0.788 18716 3460 1 6 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.525 -0.241 18716 3461 1 6 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.398 -0.612 18716 3462 1 6 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.142 -0.302 18716 3463 1 6 . 1 1 80 80 ASN H H 80 8.871 8.871 7.912 0.959 18716 3464 1 6 . 1 1 81 81 THR N N 81 115.790 115.790 118.832 -3.042 18716 3465 1 6 . 1 1 81 81 THR HA H 81 3.945 3.945 4.189 -0.244 18716 3466 1 6 . 1 1 81 81 THR CA C 81 67.855 67.855 67.736 0.119 18716 3467 1 6 . 1 1 81 81 THR CB C 81 69.140 69.140 69.021 0.119 18716 3468 1 6 . 1 1 81 81 THR H H 81 8.119 8.119 8.232 -0.113 18716 3469 1 6 . 1 1 82 82 ILE N N 82 121.102 121.102 120.870 0.232 18716 3470 1 6 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.774 -0.106 18716 3471 1 6 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.521 -1.001 18716 3472 1 6 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.418 -0.932 18716 3473 1 6 . 1 1 82 82 ILE H H 82 8.090 8.090 8.687 -0.597 18716 3474 1 6 . 1 1 83 83 ALA N N 83 125.165 125.165 123.090 2.075 18716 3475 1 6 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.914 -0.023 18716 3476 1 6 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.249 0.606 18716 3477 1 6 . 1 1 83 83 ALA CB C 83 17.841 17.841 18.037 -0.196 18716 3478 1 6 . 1 1 83 83 ALA H H 83 8.782 8.782 7.377 1.405 18716 3479 1 6 . 1 1 84 84 VAL N N 84 117.665 117.665 118.800 -1.135 18716 3480 1 6 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.615 -0.287 18716 3481 1 6 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.317 1.148 18716 3482 1 6 . 1 1 84 84 VAL CB C 84 30.695 30.695 30.534 0.161 18716 3483 1 6 . 1 1 84 84 VAL H H 84 7.795 7.795 7.695 0.100 18716 3484 1 6 . 1 1 85 85 LEU N N 85 122.040 122.040 120.754 1.286 18716 3485 1 6 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.974 -0.159 18716 3486 1 6 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.677 -0.367 18716 3487 1 6 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.894 0.254 18716 3488 1 6 . 1 1 85 85 LEU H H 85 8.163 8.163 8.135 0.028 18716 3489 1 6 . 1 1 86 86 TYR N N 86 118.915 118.915 120.237 -1.322 18716 3490 1 6 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.106 -0.194 18716 3491 1 6 . 1 1 86 86 TYR CA C 86 62.818 62.818 62.141 0.677 18716 3492 1 6 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.188 0.099 18716 3493 1 6 . 1 1 86 86 TYR H H 86 9.062 9.062 8.127 0.935 18716 3494 1 6 . 1 1 87 87 CYS N N 87 116.102 116.102 116.296 -0.194 18716 3495 1 6 . 1 1 87 87 CYS HA H 87 3.794 3.794 4.009 -0.215 18716 3496 1 6 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.019 1.947 18716 3497 1 6 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.285 20.272 18716 3498 1 6 . 1 1 87 87 CYS H H 87 7.515 7.515 8.324 -0.809 18716 3499 1 6 . 1 1 88 88 VAL N N 88 119.978 119.978 119.989 -0.011 18716 3500 1 6 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.729 0.149 18716 3501 1 6 . 1 1 88 88 VAL CA C 88 66.421 66.421 66.018 0.403 18716 3502 1 6 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.473 0.115 18716 3503 1 6 . 1 1 88 88 VAL H H 88 8.429 8.429 7.429 1.000 18716 3504 1 6 . 1 1 89 89 HIS N N 89 118.915 118.915 115.949 2.966 18716 3505 1 6 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.610 0.265 18716 3506 1 6 . 1 1 89 89 HIS CA C 89 57.120 57.120 57.633 -0.513 18716 3507 1 6 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.447 -0.364 18716 3508 1 6 . 1 1 89 89 HIS H H 89 8.797 8.797 7.704 1.093 18716 3509 1 6 . 1 1 90 90 GLN N N 90 116.728 116.728 117.039 -0.311 18716 3510 1 6 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.102 0.283 18716 3511 1 6 . 1 1 90 90 GLN CA C 90 55.289 55.289 57.738 -2.449 18716 3512 1 6 . 1 1 90 90 GLN CB C 90 30.952 30.952 30.138 0.814 18716 3513 1 6 . 1 1 90 90 GLN H H 90 7.986 7.986 8.119 -0.133 18716 3514 1 6 . 1 1 91 91 ARG N N 91 115.165 115.165 115.320 -0.155 18716 3515 1 6 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.311 -0.298 18716 3516 1 6 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.128 1.055 18716 3517 1 6 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.001 -4.952 18716 3518 1 6 . 1 1 91 91 ARG H H 91 7.883 7.883 7.743 0.140 18716 3519 1 6 . 1 1 92 92 ILE N N 92 120.087 120.087 122.282 -2.195 18716 3520 1 6 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.124 -0.139 18716 3521 1 6 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.424 -1.768 18716 3522 1 6 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.286 0.644 18716 3523 1 6 . 1 1 92 92 ILE H H 92 8.335 8.335 7.825 0.510 18716 3524 1 6 . 1 1 93 93 ASP N N 93 129.228 129.228 127.198 2.030 18716 3525 1 6 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.708 -0.223 18716 3526 1 6 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.180 2.863 18716 3527 1 6 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.206 0.190 18716 3528 1 6 . 1 1 93 93 ASP H H 93 8.620 8.620 8.558 0.062 18716 3529 1 6 . 1 1 94 94 VAL N N 94 115.790 115.790 116.901 -1.111 18716 3530 1 6 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.946 0.688 18716 3531 1 6 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.807 -3.687 18716 3532 1 6 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.536 2.976 18716 3533 1 6 . 1 1 94 94 VAL H H 94 7.751 7.751 7.263 0.488 18716 3534 1 6 . 1 1 95 95 LYS N N 95 118.915 118.915 121.672 -2.757 18716 3535 1 6 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.210 0.183 18716 3536 1 6 . 1 1 95 95 LYS CA C 95 56.671 56.671 58.208 -1.537 18716 3537 1 6 . 1 1 95 95 LYS CB C 95 34.008 34.008 32.819 1.189 18716 3538 1 6 . 1 1 95 95 LYS H H 95 9.239 9.239 8.604 0.635 18716 3539 1 6 . 1 1 96 96 ASP N N 96 112.040 112.040 112.349 -0.309 18716 3540 1 6 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.290 0.272 18716 3541 1 6 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.031 0.798 18716 3542 1 6 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.369 1.235 18716 3543 1 6 . 1 1 96 96 ASP H H 96 7.412 7.412 7.755 -0.343 18716 3544 1 6 . 1 1 97 97 THR N N 97 109.540 109.540 113.059 -3.519 18716 3545 1 6 . 1 1 97 97 THR HA H 97 3.661 3.661 4.114 -0.453 18716 3546 1 6 . 1 1 97 97 THR CA C 97 65.947 65.947 66.216 -0.269 18716 3547 1 6 . 1 1 97 97 THR CB C 97 70.285 70.285 69.160 1.125 18716 3548 1 6 . 1 1 97 97 THR H H 97 7.250 7.250 8.243 -0.993 18716 3549 1 6 . 1 1 98 98 LYS N N 98 121.102 121.102 122.237 -1.135 18716 3550 1 6 . 1 1 98 98 LYS HA H 98 3.945 3.945 4.019 -0.074 18716 3551 1 6 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.524 0.104 18716 3552 1 6 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.913 0.014 18716 3553 1 6 . 1 1 98 98 LYS H H 98 7.868 7.868 8.059 -0.191 18716 3554 1 6 . 1 1 99 99 GLU N N 99 119.228 119.228 118.421 0.807 18716 3555 1 6 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.195 -0.118 18716 3556 1 6 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.152 0.643 18716 3557 1 6 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.505 0.741 18716 3558 1 6 . 1 1 99 99 GLU H H 99 8.384 8.384 8.475 -0.091 18716 3559 1 6 . 1 1 100 100 ALA N N 100 118.915 118.915 123.164 -4.249 18716 3560 1 6 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.152 0.234 18716 3561 1 6 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.907 0.489 18716 3562 1 6 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.330 1.429 18716 3563 1 6 . 1 1 100 100 ALA H H 100 7.382 7.382 7.442 -0.060 18716 3564 1 6 . 1 1 101 101 LEU N N 101 117.978 117.978 118.268 -0.290 18716 3565 1 6 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.086 -0.066 18716 3566 1 6 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.593 0.382 18716 3567 1 6 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.147 0.346 18716 3568 1 6 . 1 1 101 101 LEU H H 101 8.119 8.119 7.625 0.494 18716 3569 1 6 . 1 1 102 102 ASP N N 102 120.478 120.478 119.817 0.661 18716 3570 1 6 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.413 -0.046 18716 3571 1 6 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.688 -0.336 18716 3572 1 6 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.722 -1.000 18716 3573 1 6 . 1 1 102 102 ASP H H 102 8.679 8.679 7.608 1.071 18716 3574 1 6 . 1 1 103 103 LYS N N 103 120.165 120.165 119.747 0.418 18716 3575 1 6 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.152 0.012 18716 3576 1 6 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.255 -0.891 18716 3577 1 6 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.587 -1.055 18716 3578 1 6 . 1 1 103 103 LYS H H 103 8.207 8.207 7.982 0.225 18716 3579 1 6 . 1 1 104 104 ILE N N 104 119.852 119.852 118.481 1.371 18716 3580 1 6 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.972 -0.162 18716 3581 1 6 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.211 0.397 18716 3582 1 6 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.046 -0.612 18716 3583 1 6 . 1 1 104 104 ILE H H 104 8.163 8.163 7.649 0.514 18716 3584 1 6 . 1 1 105 105 GLU N N 105 121.415 121.415 120.645 0.770 18716 3585 1 6 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.122 -0.087 18716 3586 1 6 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.492 0.142 18716 3587 1 6 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.568 3.188 18716 3588 1 6 . 1 1 105 105 GLU H H 105 8.001 8.001 7.927 0.074 18716 3589 1 6 . 1 1 106 106 GLU N N 106 119.228 119.228 119.729 -0.501 18716 3590 1 6 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.028 0.062 18716 3591 1 6 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.474 -0.207 18716 3592 1 6 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.573 0.024 18716 3593 1 6 . 1 1 106 106 GLU H H 106 8.031 8.031 8.380 -0.349 18716 3594 1 6 . 1 1 107 107 GLU N N 107 118.915 118.915 118.696 0.219 18716 3595 1 6 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.044 0.029 18716 3596 1 6 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.167 0.174 18716 3597 1 6 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.520 0.350 18716 3598 1 6 . 1 1 107 107 GLU H H 107 8.016 8.016 7.787 0.229 18716 3599 1 6 . 1 1 108 108 GLN N N 108 118.290 118.290 118.972 -0.682 18716 3600 1 6 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.102 0.045 18716 3601 1 6 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.847 -0.440 18716 3602 1 6 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.748 0.097 18716 3603 1 6 . 1 1 108 108 GLN H H 108 8.252 8.252 7.634 0.618 18716 3604 1 6 . 1 1 109 109 ASN N N 109 118.290 118.290 118.391 -0.101 18716 3605 1 6 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.453 0.164 18716 3606 1 6 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.237 -1.355 18716 3607 1 6 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.621 -0.096 18716 3608 1 6 . 1 1 109 109 ASN H H 109 8.252 8.252 7.856 0.396 18716 3609 1 6 . 1 1 110 110 LYS N N 110 120.478 120.478 119.985 0.493 18716 3610 1 6 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.101 0.129 18716 3611 1 6 . 1 1 110 110 LYS CA C 110 58.311 58.311 58.797 -0.485 18716 3612 1 6 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.349 0.342 18716 3613 1 6 . 1 1 110 110 LYS H H 110 8.031 8.031 8.064 -0.033 18716 3614 1 6 . 1 1 111 111 SER N N 111 114.540 114.540 116.101 -1.561 18716 3615 1 6 . 1 1 111 111 SER HA H 111 4.368 4.368 4.102 0.266 18716 3616 1 6 . 1 1 111 111 SER CA C 111 59.764 59.764 61.937 -2.173 18716 3617 1 6 . 1 1 111 111 SER CB C 111 63.442 63.442 63.052 0.390 18716 3618 1 6 . 1 1 111 111 SER H H 111 8.031 8.031 7.814 0.217 18716 3619 1 6 . 1 1 112 112 LYS N N 112 122.040 122.040 119.573 2.467 18716 3620 1 6 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.030 0.215 18716 3621 1 6 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.129 -1.800 18716 3622 1 6 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.466 0.309 18716 3623 1 6 . 1 1 112 112 LYS H H 112 7.957 7.957 7.600 0.357 18716 3624 1 6 . 1 1 113 113 LYS N N 113 120.790 120.790 118.650 2.140 18716 3625 1 6 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.143 0.008 18716 3626 1 6 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.903 0.231 18716 3627 1 6 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.557 0.209 18716 3628 1 6 . 1 1 113 113 LYS H H 113 8.016 8.016 7.650 0.366 18716 3629 1 6 . 1 1 114 114 LYS N N 114 121.728 121.728 119.199 2.529 18716 3630 1 6 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.140 0.123 18716 3631 1 6 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.743 -1.558 18716 3632 1 6 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.505 0.352 18716 3633 1 6 . 1 1 114 114 LYS H H 114 8.119 8.119 7.794 0.325 18716 3634 1 6 . 1 1 115 115 ALA N N 115 124.228 124.228 120.586 3.642 18716 3635 1 6 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.164 0.104 18716 3636 1 6 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.330 -1.295 18716 3637 1 6 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.842 0.196 18716 3638 1 6 . 1 1 115 115 ALA H H 115 8.178 8.178 7.868 0.310 18716 3639 1 6 . 1 1 116 116 GLN N N 116 119.228 119.228 117.417 1.811 18716 3640 1 6 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.290 -0.042 18716 3641 1 6 . 1 1 116 116 GLN CA C 116 56.549 56.549 56.188 0.361 18716 3642 1 6 . 1 1 116 116 GLN H H 116 8.237 8.237 7.543 0.694 18716 3643 1 6 . 1 1 117 117 GLN N N 117 120.478 120.478 115.102 5.376 18716 3644 1 6 . 1 1 117 117 GLN HA H 117 4.269 4.269 3.911 0.358 18716 3645 1 6 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.267 -0.943 18716 3646 1 6 . 1 1 117 117 GLN CB C 117 29.606 29.606 27.102 2.504 18716 3647 1 6 . 1 1 117 117 GLN H H 117 8.266 8.266 8.352 -0.086 18716 3648 1 6 . 1 1 118 118 ALA N N 118 124.852 124.852 118.715 6.137 18716 3649 1 6 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.418 -0.142 18716 3650 1 6 . 1 1 118 118 ALA CA C 118 52.837 52.837 52.955 -0.118 18716 3651 1 6 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.942 0.120 18716 3652 1 6 . 1 1 118 118 ALA H H 118 8.266 8.266 8.076 0.190 18716 3653 1 6 . 1 1 119 119 ALA N N 119 122.978 122.978 122.685 0.293 18716 3654 1 6 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.300 -0.006 18716 3655 1 6 . 1 1 119 119 ALA CA C 119 52.637 52.637 53.571 -0.934 18716 3656 1 6 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.602 0.598 18716 3657 1 6 . 1 1 119 119 ALA H H 119 8.163 8.163 8.316 -0.153 18716 3658 1 6 . 1 1 120 120 ALA N N 120 122.665 122.665 120.933 1.732 18716 3659 1 6 . 1 1 120 120 ALA HA H 120 4.277 4.277 3.995 0.282 18716 3660 1 6 . 1 1 120 120 ALA CA C 120 52.736 52.736 55.024 -2.288 18716 3661 1 6 . 1 1 120 120 ALA CB C 120 19.167 19.167 18.408 0.759 18716 3662 1 6 . 1 1 120 120 ALA H H 120 8.163 8.163 8.321 -0.158 18716 3663 1 6 . 1 1 121 121 ASP N N 121 119.228 119.228 114.085 5.143 18716 3664 1 6 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.420 0.262 18716 3665 1 6 . 1 1 121 121 ASP CA C 121 54.264 54.264 56.265 -2.001 18716 3666 1 6 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.414 0.714 18716 3667 1 6 . 1 1 121 121 ASP H H 121 8.252 8.252 8.807 -0.555 18716 3668 1 6 . 1 1 122 122 THR N N 122 113.602 113.602 111.156 2.446 18716 3669 1 6 . 1 1 122 122 THR HA H 122 4.358 4.358 4.585 -0.227 18716 3670 1 6 . 1 1 122 122 THR CA C 122 61.971 61.971 60.474 1.497 18716 3671 1 6 . 1 1 122 122 THR CB C 122 69.586 69.586 68.259 1.327 18716 3672 1 6 . 1 1 122 122 THR H H 122 8.075 8.075 7.434 0.641 18716 3673 1 6 . 1 1 123 123 GLY N N 123 110.478 110.478 113.312 -2.834 18716 3674 1 6 . 1 1 123 123 GLY CA C 123 45.603 45.603 46.159 -0.556 18716 3675 1 6 . 1 1 123 123 GLY H H 123 8.414 8.414 7.910 0.504 18716 3676 1 6 . 1 1 124 124 ASN N N 124 118.602 118.602 120.254 -1.652 18716 3677 1 6 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.680 -0.072 18716 3678 1 6 . 1 1 124 124 ASN CA C 124 54.733 54.733 53.593 1.140 18716 3679 1 6 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.147 -0.609 18716 3680 1 6 . 1 1 124 124 ASN H H 124 8.266 8.266 8.149 0.117 18716 3681 1 6 . 1 1 125 125 ASN N N 125 119.228 119.228 116.081 3.147 18716 3682 1 6 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.440 0.284 18716 3683 1 6 . 1 1 125 125 ASN CA C 125 53.453 53.453 54.317 -0.864 18716 3684 1 6 . 1 1 125 125 ASN CB C 125 38.813 38.813 38.572 0.241 18716 3685 1 6 . 1 1 125 125 ASN H H 125 8.443 8.443 8.158 0.285 18716 3686 1 6 . 1 1 126 126 SER N N 126 115.790 115.790 115.724 0.066 18716 3687 1 6 . 1 1 126 126 SER HA H 126 4.388 4.388 4.704 -0.316 18716 3688 1 6 . 1 1 126 126 SER CA C 126 58.851 58.851 58.095 0.756 18716 3689 1 6 . 1 1 126 126 SER CB C 126 63.926 63.926 65.592 -1.666 18716 3690 1 6 . 1 1 126 126 SER H H 126 8.266 8.266 8.460 -0.194 18716 3691 1 6 . 1 1 127 127 GLN N N 127 121.728 121.728 125.747 -4.019 18716 3692 1 6 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.510 -0.187 18716 3693 1 6 . 1 1 127 127 GLN CA C 127 56.223 56.223 54.920 1.302 18716 3694 1 6 . 1 1 127 127 GLN CB C 127 29.168 29.168 27.334 1.834 18716 3695 1 6 . 1 1 127 127 GLN H H 127 8.355 8.355 8.697 -0.342 18716 3696 1 6 . 1 1 128 128 VAL N N 128 119.852 119.852 116.996 2.856 18716 3697 1 6 . 1 1 128 128 VAL HA H 128 4.109 4.109 3.959 0.150 18716 3698 1 6 . 1 1 128 128 VAL CA C 128 62.665 62.665 62.751 -0.086 18716 3699 1 6 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.401 0.367 18716 3700 1 6 . 1 1 128 128 VAL H H 128 7.986 7.986 7.541 0.445 18716 3701 1 6 . 1 1 129 129 SER N N 129 117.978 117.978 116.063 1.915 18716 3702 1 6 . 1 1 129 129 SER HA H 129 4.136 4.136 4.608 -0.472 18716 3703 1 6 . 1 1 129 129 SER CA C 129 58.404 58.404 57.589 0.815 18716 3704 1 6 . 1 1 129 129 SER CB C 129 63.755 63.755 64.235 -0.480 18716 3705 1 6 . 1 1 129 129 SER H H 129 8.252 8.252 8.282 -0.030 18716 3706 1 6 . 1 1 130 130 GLN N N 130 121.728 121.728 120.488 1.240 18716 3707 1 6 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.212 0.143 18716 3708 1 6 . 1 1 130 130 GLN CA C 130 56.150 56.150 56.657 -0.507 18716 3709 1 6 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.185 0.188 18716 3710 1 6 . 1 1 130 130 GLN H H 130 8.355 8.355 8.390 -0.035 18716 3711 1 6 . 1 1 131 131 ASN N N 131 118.290 118.290 116.923 1.367 18716 3712 1 6 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.293 0.339 18716 3713 1 6 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.980 -0.412 18716 3714 1 6 . 1 1 131 131 ASN H H 131 8.252 8.252 8.428 -0.176 18716 3715 1 7 . 1 1 3 3 ALA N N 3 123.842 123.842 126.304 -2.462 18716 3716 1 7 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.565 -0.237 18716 3717 1 7 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.141 0.397 18716 3718 1 7 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.755 -2.504 18716 3719 1 7 . 1 1 3 3 ALA H H 3 8.183 8.183 8.298 -0.115 18716 3720 1 7 . 1 1 4 4 ARG N N 4 120.165 120.165 120.774 -0.609 18716 3721 1 7 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.626 -0.370 18716 3722 1 7 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.549 0.416 18716 3723 1 7 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.905 0.056 18716 3724 1 7 . 1 1 4 4 ARG H H 4 8.429 8.429 8.303 0.126 18716 3725 1 7 . 1 1 5 5 ALA N N 5 125.165 125.165 126.312 -1.147 18716 3726 1 7 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.619 -0.337 18716 3727 1 7 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.343 1.028 18716 3728 1 7 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.945 -1.273 18716 3729 1 7 . 1 1 5 5 ALA H H 5 8.370 8.370 8.438 -0.068 18716 3730 1 7 . 1 1 6 6 SER N N 6 114.540 114.540 119.039 -4.499 18716 3731 1 7 . 1 1 6 6 SER HA H 6 4.479 4.479 4.689 -0.210 18716 3732 1 7 . 1 1 6 6 SER CA C 6 57.804 57.804 57.815 -0.011 18716 3733 1 7 . 1 1 6 6 SER CB C 6 64.034 64.034 62.783 1.250 18716 3734 1 7 . 1 1 6 6 SER H H 6 8.134 8.134 8.750 -0.616 18716 3735 1 7 . 1 1 7 7 VAL N N 7 121.415 121.415 125.256 -3.841 18716 3736 1 7 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.934 -0.317 18716 3737 1 7 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.917 1.794 18716 3738 1 7 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.291 -0.355 18716 3739 1 7 . 1 1 7 7 VAL H H 7 8.119 8.119 8.258 -0.139 18716 3740 1 7 . 1 1 8 8 LEU N N 8 115.478 115.478 118.528 -3.050 18716 3741 1 7 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.801 0.113 18716 3742 1 7 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.251 -0.776 18716 3743 1 7 . 1 1 8 8 LEU CB C 8 44.314 44.314 42.603 1.711 18716 3744 1 7 . 1 1 8 8 LEU H H 8 7.382 7.382 7.609 -0.227 18716 3745 1 7 . 1 1 9 9 SER N N 9 118.290 118.290 120.070 -1.780 18716 3746 1 7 . 1 1 9 9 SER HA H 9 4.606 4.606 4.438 0.168 18716 3747 1 7 . 1 1 9 9 SER CA C 9 57.197 57.197 58.168 -0.971 18716 3748 1 7 . 1 1 9 9 SER CB C 9 65.426 65.426 64.802 0.624 18716 3749 1 7 . 1 1 9 9 SER H H 9 9.166 9.166 8.912 0.254 18716 3750 1 7 . 1 1 10 10 GLY N N 10 109.228 109.228 108.578 0.650 18716 3751 1 7 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.086 0.588 18716 3752 1 7 . 1 1 10 10 GLY H H 10 8.959 8.959 8.642 0.317 18716 3753 1 7 . 1 1 11 11 GLY N N 11 111.102 111.102 109.786 1.316 18716 3754 1 7 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.465 0.196 18716 3755 1 7 . 1 1 11 11 GLY H H 11 8.782 8.782 7.795 0.987 18716 3756 1 7 . 1 1 12 12 GLU N N 12 120.165 120.165 122.054 -1.889 18716 3757 1 7 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.031 -0.081 18716 3758 1 7 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.572 0.524 18716 3759 1 7 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.442 1.848 18716 3760 1 7 . 1 1 12 12 GLU H H 12 7.751 7.751 7.619 0.132 18716 3761 1 7 . 1 1 13 13 LEU N N 13 121.415 121.415 121.765 -0.350 18716 3762 1 7 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.063 0.045 18716 3763 1 7 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.369 -0.307 18716 3764 1 7 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.953 -1.017 18716 3765 1 7 . 1 1 13 13 LEU H H 13 8.340 8.340 8.328 0.012 18716 3766 1 7 . 1 1 14 14 ASP N N 14 116.415 116.415 119.539 -3.124 18716 3767 1 7 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.314 0.079 18716 3768 1 7 . 1 1 14 14 ASP CA C 14 57.136 57.136 58.432 -1.296 18716 3769 1 7 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.822 0.264 18716 3770 1 7 . 1 1 14 14 ASP H H 14 7.574 7.574 7.850 -0.276 18716 3771 1 7 . 1 1 15 15 LYS N N 15 115.478 115.478 120.002 -4.524 18716 3772 1 7 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.056 -0.010 18716 3773 1 7 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.412 -1.010 18716 3774 1 7 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.623 -0.264 18716 3775 1 7 . 1 1 15 15 LYS H H 15 7.117 7.117 7.615 -0.498 18716 3776 1 7 . 1 1 16 16 TRP N N 16 121.693 121.693 121.321 0.372 18716 3777 1 7 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.158 -0.133 18716 3778 1 7 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.666 -0.380 18716 3779 1 7 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.569 1.544 18716 3780 1 7 . 1 1 16 16 TRP H H 16 8.646 8.646 8.138 0.508 18716 3781 1 7 . 1 1 17 17 GLU N N 17 127.710 127.710 116.475 11.235 18716 3782 1 7 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.332 0.359 18716 3783 1 7 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.755 -1.986 18716 3784 1 7 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.480 0.265 18716 3785 1 7 . 1 1 17 17 GLU H H 17 7.571 7.571 8.183 -0.612 18716 3786 1 7 . 1 1 18 18 LYS N N 18 115.790 115.790 118.579 -2.789 18716 3787 1 7 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.370 0.127 18716 3788 1 7 . 1 1 18 18 LYS CA C 18 55.569 55.569 58.161 -2.592 18716 3789 1 7 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.150 0.789 18716 3790 1 7 . 1 1 18 18 LYS H H 18 7.456 7.456 7.208 0.248 18716 3791 1 7 . 1 1 19 19 ILE N N 19 124.228 124.228 119.458 4.770 18716 3792 1 7 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.054 -0.497 18716 3793 1 7 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.493 -0.373 18716 3794 1 7 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.743 0.439 18716 3795 1 7 . 1 1 19 19 ILE H H 19 7.633 7.633 7.994 -0.361 18716 3796 1 7 . 1 1 20 20 ARG N N 20 125.790 125.790 123.755 2.035 18716 3797 1 7 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.461 -0.033 18716 3798 1 7 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.840 1.655 18716 3799 1 7 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.769 -0.232 18716 3800 1 7 . 1 1 20 20 ARG H H 20 8.031 8.031 7.918 0.113 18716 3801 1 7 . 1 1 21 21 LEU N N 21 120.165 120.165 121.167 -1.002 18716 3802 1 7 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.880 -0.449 18716 3803 1 7 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.060 1.175 18716 3804 1 7 . 1 1 21 21 LEU CB C 21 41.554 41.554 41.856 -0.302 18716 3805 1 7 . 1 1 21 21 LEU H H 21 7.810 7.810 7.742 0.068 18716 3806 1 7 . 1 1 22 22 ARG N N 22 119.540 119.540 115.446 4.094 18716 3807 1 7 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.654 0.191 18716 3808 1 7 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.233 -0.390 18716 3809 1 7 . 1 1 22 22 ARG CB C 22 31.617 31.617 31.950 -0.332 18716 3810 1 7 . 1 1 22 22 ARG H H 22 8.974 8.974 7.527 1.447 18716 3811 1 7 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.585 -0.225 18716 3812 1 7 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.267 -0.831 18716 3813 1 7 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.334 -0.769 18716 3814 1 7 . 1 1 24 24 GLY N N 24 112.665 112.665 106.206 6.459 18716 3815 1 7 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.758 1.047 18716 3816 1 7 . 1 1 24 24 GLY H H 24 9.138 9.138 8.075 1.063 18716 3817 1 7 . 1 1 25 25 GLY N N 25 107.978 107.978 107.682 0.296 18716 3818 1 7 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.682 -0.110 18716 3819 1 7 . 1 1 25 25 GLY H H 25 8.134 8.134 7.719 0.415 18716 3820 1 7 . 1 1 26 26 LYS N N 26 117.665 117.665 119.569 -1.904 18716 3821 1 7 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.392 -0.128 18716 3822 1 7 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.056 0.797 18716 3823 1 7 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.620 1.436 18716 3824 1 7 . 1 1 26 26 LYS H H 26 8.665 8.665 8.556 0.109 18716 3825 1 7 . 1 1 27 27 LYS N N 27 117.925 117.925 120.439 -2.514 18716 3826 1 7 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.555 -0.244 18716 3827 1 7 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.266 1.945 18716 3828 1 7 . 1 1 27 27 LYS CB C 27 33.878 33.878 33.917 -0.039 18716 3829 1 7 . 1 1 27 27 LYS H H 27 7.817 7.817 7.888 -0.071 18716 3830 1 7 . 1 1 28 28 GLN N N 28 122.978 122.978 122.615 0.363 18716 3831 1 7 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.280 0.536 18716 3832 1 7 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.419 -0.946 18716 3833 1 7 . 1 1 28 28 GLN CB C 28 34.054 34.054 29.752 4.302 18716 3834 1 7 . 1 1 28 28 GLN H H 28 8.458 8.458 8.491 -0.033 18716 3835 1 7 . 1 1 29 29 TYR N N 29 119.540 119.540 119.555 -0.015 18716 3836 1 7 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.501 -0.769 18716 3837 1 7 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.919 2.091 18716 3838 1 7 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.316 -2.099 18716 3839 1 7 . 1 1 29 29 TYR H H 29 7.824 7.824 8.429 -0.605 18716 3840 1 7 . 1 1 30 30 LYS N N 30 117.978 117.978 119.907 -1.929 18716 3841 1 7 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.887 0.329 18716 3842 1 7 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.613 -0.548 18716 3843 1 7 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.552 2.036 18716 3844 1 7 . 1 1 30 30 LYS H H 30 10.610 10.610 9.198 1.412 18716 3845 1 7 . 1 1 31 31 LEU N N 31 128.602 128.602 124.452 4.150 18716 3846 1 7 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.117 0.064 18716 3847 1 7 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.701 0.533 18716 3848 1 7 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.938 -0.936 18716 3849 1 7 . 1 1 31 31 LEU H H 31 9.991 9.991 9.018 0.973 18716 3850 1 7 . 1 1 32 32 LYS N N 32 115.165 115.165 118.618 -3.453 18716 3851 1 7 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.914 0.231 18716 3852 1 7 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.561 -0.464 18716 3853 1 7 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.891 -0.332 18716 3854 1 7 . 1 1 32 32 LYS H H 32 8.399 8.399 8.584 -0.185 18716 3855 1 7 . 1 1 33 33 HIS N N 33 119.540 119.540 116.898 2.642 18716 3856 1 7 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.688 -0.083 18716 3857 1 7 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.678 3.212 18716 3858 1 7 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.400 2.384 18716 3859 1 7 . 1 1 33 33 HIS H H 33 8.193 8.193 7.890 0.303 18716 3860 1 7 . 1 1 34 34 ILE N N 34 119.540 119.540 120.875 -1.335 18716 3861 1 7 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.896 -0.102 18716 3862 1 7 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.710 -0.862 18716 3863 1 7 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.653 -0.674 18716 3864 1 7 . 1 1 34 34 ILE H H 34 7.898 7.898 7.509 0.389 18716 3865 1 7 . 1 1 35 35 VAL N N 35 122.040 122.040 118.787 3.253 18716 3866 1 7 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.779 -0.167 18716 3867 1 7 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.881 -0.135 18716 3868 1 7 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.492 0.649 18716 3869 1 7 . 1 1 35 35 VAL H H 35 7.706 7.706 8.486 -0.780 18716 3870 1 7 . 1 1 36 36 TRP N N 36 119.986 119.986 122.991 -3.005 18716 3871 1 7 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.233 0.000 18716 3872 1 7 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.243 -0.133 18716 3873 1 7 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.189 -0.777 18716 3874 1 7 . 1 1 36 36 TRP H H 36 8.452 8.452 7.929 0.523 18716 3875 1 7 . 1 1 37 37 ALA N N 37 120.478 120.478 119.317 1.161 18716 3876 1 7 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.504 -0.112 18716 3877 1 7 . 1 1 37 37 ALA CA C 37 55.137 55.137 54.871 0.266 18716 3878 1 7 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.129 -0.699 18716 3879 1 7 . 1 1 37 37 ALA H H 37 8.311 8.311 8.362 -0.051 18716 3880 1 7 . 1 1 38 38 SER N N 38 111.415 111.415 113.346 -1.931 18716 3881 1 7 . 1 1 38 38 SER HA H 38 3.906 3.906 4.078 -0.172 18716 3882 1 7 . 1 1 38 38 SER CA C 38 62.801 62.801 61.736 1.065 18716 3883 1 7 . 1 1 38 38 SER CB C 38 62.829 62.829 63.005 -0.176 18716 3884 1 7 . 1 1 38 38 SER H H 38 8.259 8.259 7.663 0.596 18716 3885 1 7 . 1 1 39 39 ARG N N 39 119.852 119.852 120.667 -0.815 18716 3886 1 7 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.063 0.083 18716 3887 1 7 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.937 -0.527 18716 3888 1 7 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.263 -0.255 18716 3889 1 7 . 1 1 39 39 ARG H H 39 7.559 7.559 7.524 0.035 18716 3890 1 7 . 1 1 40 40 GLU N N 40 121.102 121.102 119.554 1.548 18716 3891 1 7 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.915 -0.128 18716 3892 1 7 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.401 -0.120 18716 3893 1 7 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.870 0.804 18716 3894 1 7 . 1 1 40 40 GLU H H 40 8.222 8.222 7.621 0.601 18716 3895 1 7 . 1 1 41 41 LEU N N 41 117.040 117.040 120.366 -3.326 18716 3896 1 7 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.120 -0.160 18716 3897 1 7 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.871 0.426 18716 3898 1 7 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.949 -1.768 18716 3899 1 7 . 1 1 41 41 LEU H H 41 8.016 8.016 7.796 0.220 18716 3900 1 7 . 1 1 42 42 GLU N N 42 117.352 117.352 118.514 -1.162 18716 3901 1 7 . 1 1 42 42 GLU HA H 42 4.127 4.127 3.999 0.128 18716 3902 1 7 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.165 0.406 18716 3903 1 7 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.087 0.578 18716 3904 1 7 . 1 1 42 42 GLU H H 42 7.559 7.559 7.620 -0.061 18716 3905 1 7 . 1 1 43 43 ARG N N 43 119.540 119.540 118.805 0.735 18716 3906 1 7 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.030 -0.003 18716 3907 1 7 . 1 1 43 43 ARG CA C 43 58.601 58.601 57.935 0.666 18716 3908 1 7 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.042 -0.377 18716 3909 1 7 . 1 1 43 43 ARG H H 43 7.647 7.647 7.263 0.384 18716 3910 1 7 . 1 1 44 44 PHE N N 44 117.665 117.665 118.482 -0.817 18716 3911 1 7 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.621 -0.005 18716 3912 1 7 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.898 0.527 18716 3913 1 7 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.137 1.017 18716 3914 1 7 . 1 1 44 44 PHE H H 44 7.529 7.529 7.656 -0.127 18716 3915 1 7 . 1 1 45 45 ALA N N 45 118.915 118.915 119.327 -0.412 18716 3916 1 7 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.938 0.077 18716 3917 1 7 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.281 0.133 18716 3918 1 7 . 1 1 45 45 ALA CB C 45 16.281 16.281 16.848 -0.567 18716 3919 1 7 . 1 1 45 45 ALA H H 45 7.928 7.928 7.664 0.264 18716 3920 1 7 . 1 1 46 46 VAL N N 46 119.540 119.540 118.503 1.037 18716 3921 1 7 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.158 -0.063 18716 3922 1 7 . 1 1 46 46 VAL CA C 46 60.789 60.789 61.021 -0.232 18716 3923 1 7 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.270 0.150 18716 3924 1 7 . 1 1 46 46 VAL H H 46 7.765 7.765 7.630 0.135 18716 3925 1 7 . 1 1 47 47 ASN N N 47 125.790 125.790 127.223 -1.433 18716 3926 1 7 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.718 -0.072 18716 3927 1 7 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.216 -1.219 18716 3928 1 7 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.344 0.742 18716 3929 1 7 . 1 1 47 47 ASN H H 47 8.399 8.399 8.868 -0.469 18716 3930 1 7 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.422 -0.200 18716 3931 1 7 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.690 -0.376 18716 3932 1 7 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.935 -0.195 18716 3933 1 7 . 1 1 49 49 GLY N N 49 108.290 108.290 107.541 0.749 18716 3934 1 7 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.245 0.285 18716 3935 1 7 . 1 1 49 49 GLY H H 49 8.620 8.620 8.642 -0.022 18716 3936 1 7 . 1 1 50 50 LEU N N 50 121.728 121.728 121.730 -0.002 18716 3937 1 7 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.120 0.017 18716 3938 1 7 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.110 1.189 18716 3939 1 7 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.920 -0.357 18716 3940 1 7 . 1 1 50 50 LEU H H 50 7.765 7.765 7.525 0.240 18716 3941 1 7 . 1 1 51 51 LEU N N 51 112.040 112.040 117.882 -5.842 18716 3942 1 7 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.136 0.090 18716 3943 1 7 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.096 -0.589 18716 3944 1 7 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.989 0.502 18716 3945 1 7 . 1 1 51 51 LEU H H 51 7.412 7.412 7.608 -0.196 18716 3946 1 7 . 1 1 52 52 GLU N N 52 114.540 114.540 113.675 0.865 18716 3947 1 7 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.360 -0.305 18716 3948 1 7 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.199 3.185 18716 3949 1 7 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.520 1.538 18716 3950 1 7 . 1 1 52 52 GLU H H 52 7.500 7.500 7.512 -0.012 18716 3951 1 7 . 1 1 53 53 THR N N 53 122.978 122.978 111.386 11.592 18716 3952 1 7 . 1 1 53 53 THR HA H 53 4.402 4.402 4.552 -0.150 18716 3953 1 7 . 1 1 53 53 THR CA C 53 58.306 58.306 60.715 -2.409 18716 3954 1 7 . 1 1 53 53 THR CB C 53 73.222 73.222 71.850 1.371 18716 3955 1 7 . 1 1 53 53 THR H H 53 7.235 7.235 7.656 -0.421 18716 3956 1 7 . 1 1 54 54 SER N N 54 119.228 119.228 121.613 -2.385 18716 3957 1 7 . 1 1 54 54 SER HA H 54 4.043 4.043 4.309 -0.266 18716 3958 1 7 . 1 1 54 54 SER CA C 54 62.657 62.657 61.414 1.243 18716 3959 1 7 . 1 1 54 54 SER CB C 54 62.562 62.562 62.812 -0.250 18716 3960 1 7 . 1 1 54 54 SER H H 54 9.313 9.313 8.900 0.413 18716 3961 1 7 . 1 1 55 55 GLU N N 55 121.233 121.233 121.081 0.152 18716 3962 1 7 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.415 -0.346 18716 3963 1 7 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.446 1.229 18716 3964 1 7 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.722 -0.723 18716 3965 1 7 . 1 1 55 55 GLU H H 55 8.975 8.975 8.471 0.504 18716 3966 1 7 . 1 1 56 56 GLY N N 56 110.790 110.790 108.413 2.377 18716 3967 1 7 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.220 0.646 18716 3968 1 7 . 1 1 56 56 GLY H H 56 8.517 8.517 8.221 0.296 18716 3969 1 7 . 1 1 57 57 CYS N N 57 118.602 118.602 119.081 -0.479 18716 3970 1 7 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.060 -0.036 18716 3971 1 7 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.265 1.337 18716 3972 1 7 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.842 19.953 18716 3973 1 7 . 1 1 57 57 CYS H H 57 8.134 8.134 8.508 -0.374 18716 3974 1 7 . 1 1 58 58 ARG N N 58 119.540 119.540 119.468 0.072 18716 3975 1 7 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.463 0.087 18716 3976 1 7 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.013 0.695 18716 3977 1 7 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.901 -0.452 18716 3978 1 7 . 1 1 58 58 ARG H H 58 8.488 8.488 7.547 0.941 18716 3979 1 7 . 1 1 59 59 GLN N N 59 119.852 119.852 119.410 0.442 18716 3980 1 7 . 1 1 59 59 GLN HA H 59 4.052 4.052 3.989 0.063 18716 3981 1 7 . 1 1 59 59 GLN CA C 59 59.400 59.400 59.029 0.371 18716 3982 1 7 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.636 -0.402 18716 3983 1 7 . 1 1 59 59 GLN H H 59 8.016 8.016 7.608 0.408 18716 3984 1 7 . 1 1 60 60 ILE N N 60 120.790 120.790 119.374 1.416 18716 3985 1 7 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.727 -0.115 18716 3986 1 7 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.309 0.342 18716 3987 1 7 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.885 -0.035 18716 3988 1 7 . 1 1 60 60 ILE H H 60 8.163 8.163 8.186 -0.023 18716 3989 1 7 . 1 1 61 61 LEU N N 61 118.915 118.915 119.025 -0.110 18716 3990 1 7 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.258 -0.363 18716 3991 1 7 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.272 1.382 18716 3992 1 7 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.410 -0.634 18716 3993 1 7 . 1 1 61 61 LEU H H 61 8.370 8.370 7.349 1.021 18716 3994 1 7 . 1 1 62 62 GLY N N 62 104.332 104.332 107.685 -3.353 18716 3995 1 7 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.804 0.380 18716 3996 1 7 . 1 1 62 62 GLY H H 62 7.883 7.883 7.970 -0.087 18716 3997 1 7 . 1 1 63 63 GLN N N 63 119.852 119.852 118.867 0.985 18716 3998 1 7 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.205 -0.057 18716 3999 1 7 . 1 1 63 63 GLN CA C 63 57.873 57.873 58.056 -0.183 18716 4000 1 7 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.343 -0.228 18716 4001 1 7 . 1 1 63 63 GLN H H 63 7.795 7.795 7.700 0.095 18716 4002 1 7 . 1 1 64 64 LEU N N 64 117.040 117.040 118.683 -1.643 18716 4003 1 7 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.135 0.123 18716 4004 1 7 . 1 1 64 64 LEU CA C 64 56.183 56.183 55.992 0.191 18716 4005 1 7 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.945 2.253 18716 4006 1 7 . 1 1 64 64 LEU H H 64 8.252 8.252 7.335 0.917 18716 4007 1 7 . 1 1 65 65 GLN N N 65 118.915 118.915 118.077 0.838 18716 4008 1 7 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.678 0.101 18716 4009 1 7 . 1 1 65 65 GLN CA C 65 61.547 61.547 59.548 1.999 18716 4010 1 7 . 1 1 65 65 GLN CB C 65 25.864 25.864 27.726 -1.862 18716 4011 1 7 . 1 1 65 65 GLN H H 65 8.104 8.104 7.881 0.223 18716 4012 1 7 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.300 0.083 18716 4013 1 7 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.547 1.370 18716 4014 1 7 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.306 -0.207 18716 4015 1 7 . 1 1 67 67 SER N N 67 111.415 111.415 112.259 -0.844 18716 4016 1 7 . 1 1 67 67 SER HA H 67 4.493 4.493 4.626 -0.133 18716 4017 1 7 . 1 1 67 67 SER CA C 67 59.696 59.696 57.859 1.837 18716 4018 1 7 . 1 1 67 67 SER CB C 67 64.031 64.031 62.962 1.069 18716 4019 1 7 . 1 1 67 67 SER H H 67 7.824 7.824 7.694 0.130 18716 4020 1 7 . 1 1 68 68 LEU N N 68 121.102 121.102 122.011 -0.909 18716 4021 1 7 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.951 -0.135 18716 4022 1 7 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.453 0.495 18716 4023 1 7 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.832 -0.063 18716 4024 1 7 . 1 1 68 68 LEU H H 68 7.647 7.647 7.236 0.411 18716 4025 1 7 . 1 1 69 69 GLN N N 69 116.415 116.415 117.965 -1.550 18716 4026 1 7 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.098 -0.029 18716 4027 1 7 . 1 1 69 69 GLN CA C 69 58.470 58.470 57.941 0.529 18716 4028 1 7 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.988 -0.560 18716 4029 1 7 . 1 1 69 69 GLN H H 69 8.060 8.060 8.409 -0.349 18716 4030 1 7 . 1 1 70 70 THR N N 70 106.728 106.728 112.935 -6.207 18716 4031 1 7 . 1 1 70 70 THR HA H 70 4.481 4.481 4.451 0.030 18716 4032 1 7 . 1 1 70 70 THR CA C 70 61.291 61.291 62.074 -0.783 18716 4033 1 7 . 1 1 70 70 THR CB C 70 69.415 69.415 68.499 0.916 18716 4034 1 7 . 1 1 70 70 THR H H 70 7.515 7.515 8.060 -0.545 18716 4035 1 7 . 1 1 71 71 GLY N N 71 109.540 109.540 109.975 -0.435 18716 4036 1 7 . 1 1 71 71 GLY CA C 71 45.553 45.553 43.886 1.667 18716 4037 1 7 . 1 1 71 71 GLY H H 71 7.692 7.692 7.296 0.396 18716 4038 1 7 . 1 1 72 72 SER N N 72 114.540 114.540 116.939 -2.399 18716 4039 1 7 . 1 1 72 72 SER HA H 72 4.625 4.625 4.593 0.032 18716 4040 1 7 . 1 1 72 72 SER CA C 72 57.319 57.319 57.484 -0.165 18716 4041 1 7 . 1 1 72 72 SER CB C 72 64.599 64.599 65.166 -0.567 18716 4042 1 7 . 1 1 72 72 SER H H 72 8.045 8.045 8.157 -0.112 18716 4043 1 7 . 1 1 73 73 GLU N N 73 124.228 124.228 120.765 3.463 18716 4044 1 7 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.088 -0.001 18716 4045 1 7 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.696 -0.316 18716 4046 1 7 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.571 -0.269 18716 4047 1 7 . 1 1 73 73 GLU H H 73 9.092 9.092 8.926 0.166 18716 4048 1 7 . 1 1 74 74 GLU N N 74 120.165 120.165 118.706 1.459 18716 4049 1 7 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.377 -0.119 18716 4050 1 7 . 1 1 74 74 GLU CA C 74 60.306 60.306 58.921 1.385 18716 4051 1 7 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.614 -0.152 18716 4052 1 7 . 1 1 74 74 GLU H H 74 8.665 8.665 7.819 0.846 18716 4053 1 7 . 1 1 75 75 LEU N N 75 121.415 121.415 120.241 1.174 18716 4054 1 7 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.125 0.058 18716 4055 1 7 . 1 1 75 75 LEU CA C 75 57.932 57.932 57.726 0.206 18716 4056 1 7 . 1 1 75 75 LEU CB C 75 41.178 41.178 41.971 -0.792 18716 4057 1 7 . 1 1 75 75 LEU H H 75 7.765 7.765 7.866 -0.101 18716 4058 1 7 . 1 1 76 76 ARG N N 76 119.228 119.228 119.831 -0.603 18716 4059 1 7 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.074 -0.141 18716 4060 1 7 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.056 -0.374 18716 4061 1 7 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.066 -0.869 18716 4062 1 7 . 1 1 76 76 ARG H H 76 7.868 7.868 7.921 -0.053 18716 4063 1 7 . 1 1 77 77 SER N N 77 114.228 114.228 115.741 -1.513 18716 4064 1 7 . 1 1 77 77 SER HA H 77 4.263 4.263 4.219 0.044 18716 4065 1 7 . 1 1 77 77 SER CA C 77 62.668 62.668 62.285 0.383 18716 4066 1 7 . 1 1 77 77 SER CB C 77 62.849 62.849 63.073 -0.224 18716 4067 1 7 . 1 1 77 77 SER H H 77 8.576 8.576 7.988 0.588 18716 4068 1 7 . 1 1 78 78 LEU N N 78 125.790 125.790 123.753 2.037 18716 4069 1 7 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.323 0.098 18716 4070 1 7 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.179 0.783 18716 4071 1 7 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.933 -0.015 18716 4072 1 7 . 1 1 78 78 LEU H H 78 8.458 8.458 7.909 0.549 18716 4073 1 7 . 1 1 79 79 TYR N N 79 119.852 119.852 119.570 0.282 18716 4074 1 7 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.055 -0.394 18716 4075 1 7 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.485 1.317 18716 4076 1 7 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.418 0.776 18716 4077 1 7 . 1 1 79 79 TYR H H 79 8.694 8.694 8.280 0.414 18716 4078 1 7 . 1 1 80 80 ASN N N 80 117.040 117.040 117.132 -0.092 18716 4079 1 7 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.502 -0.218 18716 4080 1 7 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.431 -0.645 18716 4081 1 7 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.338 -0.499 18716 4082 1 7 . 1 1 80 80 ASN H H 80 8.871 8.871 8.624 0.247 18716 4083 1 7 . 1 1 81 81 THR N N 81 115.790 115.790 118.958 -3.168 18716 4084 1 7 . 1 1 81 81 THR HA H 81 3.945 3.945 4.339 -0.394 18716 4085 1 7 . 1 1 81 81 THR CA C 81 67.855 67.855 67.143 0.712 18716 4086 1 7 . 1 1 81 81 THR CB C 81 69.140 69.140 69.258 -0.118 18716 4087 1 7 . 1 1 81 81 THR H H 81 8.119 8.119 8.119 -0.000 18716 4088 1 7 . 1 1 82 82 ILE N N 82 121.102 121.102 121.053 0.049 18716 4089 1 7 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.784 -0.116 18716 4090 1 7 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.740 -1.220 18716 4091 1 7 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.452 -0.966 18716 4092 1 7 . 1 1 82 82 ILE H H 82 8.090 8.090 8.691 -0.601 18716 4093 1 7 . 1 1 83 83 ALA N N 83 125.165 125.165 121.825 3.340 18716 4094 1 7 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.969 -0.078 18716 4095 1 7 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.093 0.762 18716 4096 1 7 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.851 -0.010 18716 4097 1 7 . 1 1 83 83 ALA H H 83 8.782 8.782 7.489 1.294 18716 4098 1 7 . 1 1 84 84 VAL N N 84 117.665 117.665 119.000 -1.335 18716 4099 1 7 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.637 -0.309 18716 4100 1 7 . 1 1 84 84 VAL CA C 84 67.465 67.465 65.833 1.632 18716 4101 1 7 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.590 -0.895 18716 4102 1 7 . 1 1 84 84 VAL H H 84 7.795 7.795 7.640 0.155 18716 4103 1 7 . 1 1 85 85 LEU N N 85 122.040 122.040 121.361 0.679 18716 4104 1 7 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.994 -0.179 18716 4105 1 7 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.563 0.747 18716 4106 1 7 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.859 0.289 18716 4107 1 7 . 1 1 85 85 LEU H H 85 8.163 8.163 8.066 0.097 18716 4108 1 7 . 1 1 86 86 TYR N N 86 118.915 118.915 120.400 -1.485 18716 4109 1 7 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.067 -0.155 18716 4110 1 7 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.396 1.422 18716 4111 1 7 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.110 0.177 18716 4112 1 7 . 1 1 86 86 TYR H H 86 9.062 9.062 8.317 0.745 18716 4113 1 7 . 1 1 87 87 CYS N N 87 116.102 116.102 115.535 0.567 18716 4114 1 7 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.798 -0.004 18716 4115 1 7 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.189 2.777 18716 4116 1 7 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.168 20.390 18716 4117 1 7 . 1 1 87 87 CYS H H 87 7.515 7.515 7.801 -0.286 18716 4118 1 7 . 1 1 88 88 VAL N N 88 119.978 119.978 117.574 2.404 18716 4119 1 7 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.760 0.118 18716 4120 1 7 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.585 0.836 18716 4121 1 7 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.828 -0.241 18716 4122 1 7 . 1 1 88 88 VAL H H 88 8.429 8.429 7.018 1.411 18716 4123 1 7 . 1 1 89 89 HIS N N 89 118.915 118.915 115.672 3.243 18716 4124 1 7 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.586 0.289 18716 4125 1 7 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.365 0.755 18716 4126 1 7 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.134 -0.051 18716 4127 1 7 . 1 1 89 89 HIS H H 89 8.797 8.797 7.442 1.355 18716 4128 1 7 . 1 1 90 90 GLN N N 90 116.728 116.728 118.181 -1.453 18716 4129 1 7 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.269 0.116 18716 4130 1 7 . 1 1 90 90 GLN CA C 90 55.289 55.289 57.133 -1.844 18716 4131 1 7 . 1 1 90 90 GLN CB C 90 30.952 30.952 30.069 0.883 18716 4132 1 7 . 1 1 90 90 GLN H H 90 7.986 7.986 7.612 0.374 18716 4133 1 7 . 1 1 91 91 ARG N N 91 115.165 115.165 115.749 -0.584 18716 4134 1 7 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.341 -0.328 18716 4135 1 7 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.066 1.117 18716 4136 1 7 . 1 1 91 91 ARG CB C 91 26.049 26.049 32.390 -6.341 18716 4137 1 7 . 1 1 91 91 ARG H H 91 7.883 7.883 7.622 0.261 18716 4138 1 7 . 1 1 92 92 ILE N N 92 120.087 120.087 123.509 -3.422 18716 4139 1 7 . 1 1 92 92 ILE HA H 92 3.985 3.985 3.979 0.006 18716 4140 1 7 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.571 -1.915 18716 4141 1 7 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.422 0.508 18716 4142 1 7 . 1 1 92 92 ILE H H 92 8.335 8.335 8.033 0.302 18716 4143 1 7 . 1 1 93 93 ASP N N 93 129.228 129.228 127.416 1.812 18716 4144 1 7 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.690 -0.205 18716 4145 1 7 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.307 2.736 18716 4146 1 7 . 1 1 93 93 ASP CB C 93 40.396 40.396 39.286 1.110 18716 4147 1 7 . 1 1 93 93 ASP H H 93 8.620 8.620 8.372 0.248 18716 4148 1 7 . 1 1 94 94 VAL N N 94 115.790 115.790 114.370 1.420 18716 4149 1 7 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.118 0.515 18716 4150 1 7 . 1 1 94 94 VAL CA C 94 59.120 59.120 61.761 -2.641 18716 4151 1 7 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.547 2.965 18716 4152 1 7 . 1 1 94 94 VAL H H 94 7.751 7.751 7.597 0.154 18716 4153 1 7 . 1 1 95 95 LYS N N 95 118.915 118.915 120.753 -1.838 18716 4154 1 7 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.242 0.151 18716 4155 1 7 . 1 1 95 95 LYS CA C 95 56.671 56.671 58.257 -1.586 18716 4156 1 7 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.134 0.874 18716 4157 1 7 . 1 1 95 95 LYS H H 95 9.239 9.239 8.901 0.338 18716 4158 1 7 . 1 1 96 96 ASP N N 96 112.040 112.040 113.002 -0.962 18716 4159 1 7 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.207 0.355 18716 4160 1 7 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.646 0.183 18716 4161 1 7 . 1 1 96 96 ASP CB C 96 44.604 44.604 42.888 1.716 18716 4162 1 7 . 1 1 96 96 ASP H H 96 7.412 7.412 7.633 -0.221 18716 4163 1 7 . 1 1 97 97 THR N N 97 109.540 109.540 113.777 -4.237 18716 4164 1 7 . 1 1 97 97 THR HA H 97 3.661 3.661 4.045 -0.384 18716 4165 1 7 . 1 1 97 97 THR CA C 97 65.947 65.947 66.340 -0.393 18716 4166 1 7 . 1 1 97 97 THR CB C 97 70.285 70.285 69.063 1.222 18716 4167 1 7 . 1 1 97 97 THR H H 97 7.250 7.250 8.178 -0.927 18716 4168 1 7 . 1 1 98 98 LYS N N 98 121.102 121.102 122.149 -1.047 18716 4169 1 7 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.934 0.011 18716 4170 1 7 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.549 0.079 18716 4171 1 7 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.836 0.091 18716 4172 1 7 . 1 1 98 98 LYS H H 98 7.868 7.868 8.362 -0.494 18716 4173 1 7 . 1 1 99 99 GLU N N 99 119.228 119.228 118.007 1.221 18716 4174 1 7 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.116 -0.039 18716 4175 1 7 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.380 0.415 18716 4176 1 7 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.547 0.699 18716 4177 1 7 . 1 1 99 99 GLU H H 99 8.384 8.384 8.514 -0.130 18716 4178 1 7 . 1 1 100 100 ALA N N 100 118.915 118.915 122.357 -3.442 18716 4179 1 7 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.138 0.248 18716 4180 1 7 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.849 0.547 18716 4181 1 7 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.394 1.365 18716 4182 1 7 . 1 1 100 100 ALA H H 100 7.382 7.382 7.439 -0.057 18716 4183 1 7 . 1 1 101 101 LEU N N 101 117.978 117.978 118.106 -0.128 18716 4184 1 7 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.025 -0.005 18716 4185 1 7 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.784 0.191 18716 4186 1 7 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.990 -0.497 18716 4187 1 7 . 1 1 101 101 LEU H H 101 8.119 8.119 7.796 0.323 18716 4188 1 7 . 1 1 102 102 ASP N N 102 120.478 120.478 120.176 0.302 18716 4189 1 7 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.457 -0.090 18716 4190 1 7 . 1 1 102 102 ASP CA C 102 57.352 57.352 58.032 -0.680 18716 4191 1 7 . 1 1 102 102 ASP CB C 102 39.722 39.722 41.140 -1.418 18716 4192 1 7 . 1 1 102 102 ASP H H 102 8.679 8.679 7.698 0.981 18716 4193 1 7 . 1 1 103 103 LYS N N 103 120.165 120.165 119.451 0.714 18716 4194 1 7 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.078 0.086 18716 4195 1 7 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.476 -1.112 18716 4196 1 7 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.471 -0.939 18716 4197 1 7 . 1 1 103 103 LYS H H 103 8.207 8.207 8.204 0.003 18716 4198 1 7 . 1 1 104 104 ILE N N 104 119.852 119.852 118.497 1.355 18716 4199 1 7 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.862 -0.052 18716 4200 1 7 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.885 -0.277 18716 4201 1 7 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.981 -0.547 18716 4202 1 7 . 1 1 104 104 ILE H H 104 8.163 8.163 7.583 0.580 18716 4203 1 7 . 1 1 105 105 GLU N N 105 121.415 121.415 120.751 0.664 18716 4204 1 7 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.955 0.080 18716 4205 1 7 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.736 -0.102 18716 4206 1 7 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.599 3.157 18716 4207 1 7 . 1 1 105 105 GLU H H 105 8.001 8.001 7.824 0.177 18716 4208 1 7 . 1 1 106 106 GLU N N 106 119.228 119.228 119.936 -0.708 18716 4209 1 7 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.017 0.073 18716 4210 1 7 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.769 -0.502 18716 4211 1 7 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.555 0.042 18716 4212 1 7 . 1 1 106 106 GLU H H 106 8.031 8.031 8.334 -0.303 18716 4213 1 7 . 1 1 107 107 GLU N N 107 118.915 118.915 118.321 0.594 18716 4214 1 7 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.049 0.024 18716 4215 1 7 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.138 0.203 18716 4216 1 7 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.642 0.228 18716 4217 1 7 . 1 1 107 107 GLU H H 107 8.016 8.016 7.810 0.206 18716 4218 1 7 . 1 1 108 108 GLN N N 108 118.290 118.290 116.995 1.295 18716 4219 1 7 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.186 -0.039 18716 4220 1 7 . 1 1 108 108 GLN CA C 108 58.407 58.407 57.956 0.451 18716 4221 1 7 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.753 0.092 18716 4222 1 7 . 1 1 108 108 GLN H H 108 8.252 8.252 7.695 0.557 18716 4223 1 7 . 1 1 109 109 ASN N N 109 118.290 118.290 118.545 -0.255 18716 4224 1 7 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.529 0.088 18716 4225 1 7 . 1 1 109 109 ASN CA C 109 54.882 54.882 55.343 -0.461 18716 4226 1 7 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.424 0.101 18716 4227 1 7 . 1 1 109 109 ASN H H 109 8.252 8.252 7.795 0.457 18716 4228 1 7 . 1 1 110 110 LYS N N 110 120.478 120.478 120.403 0.075 18716 4229 1 7 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.141 0.089 18716 4230 1 7 . 1 1 110 110 LYS CA C 110 58.311 58.311 58.886 -0.575 18716 4231 1 7 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.618 0.073 18716 4232 1 7 . 1 1 110 110 LYS H H 110 8.031 8.031 8.104 -0.073 18716 4233 1 7 . 1 1 111 111 SER N N 111 114.540 114.540 111.916 2.624 18716 4234 1 7 . 1 1 111 111 SER HA H 111 4.368 4.368 4.694 -0.326 18716 4235 1 7 . 1 1 111 111 SER CA C 111 59.764 59.764 56.506 3.258 18716 4236 1 7 . 1 1 111 111 SER CB C 111 63.442 63.442 63.079 0.363 18716 4237 1 7 . 1 1 111 111 SER H H 111 8.031 8.031 7.647 0.384 18716 4238 1 7 . 1 1 112 112 LYS N N 112 122.040 122.040 122.873 -0.833 18716 4239 1 7 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.075 0.170 18716 4240 1 7 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.123 -1.794 18716 4241 1 7 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.428 0.347 18716 4242 1 7 . 1 1 112 112 LYS H H 112 7.957 7.957 7.551 0.406 18716 4243 1 7 . 1 1 113 113 LYS N N 113 120.790 120.790 117.507 3.283 18716 4244 1 7 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.110 0.040 18716 4245 1 7 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.300 -0.166 18716 4246 1 7 . 1 1 113 113 LYS CB C 113 32.766 32.766 31.937 0.829 18716 4247 1 7 . 1 1 113 113 LYS H H 113 8.016 8.016 8.465 -0.449 18716 4248 1 7 . 1 1 114 114 LYS N N 114 121.728 121.728 120.456 1.272 18716 4249 1 7 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.080 0.183 18716 4250 1 7 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.774 -1.589 18716 4251 1 7 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.247 0.610 18716 4252 1 7 . 1 1 114 114 LYS H H 114 8.119 8.119 8.107 0.012 18716 4253 1 7 . 1 1 115 115 ALA N N 115 124.228 124.228 120.777 3.451 18716 4254 1 7 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.036 0.232 18716 4255 1 7 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.815 -1.780 18716 4256 1 7 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.285 0.753 18716 4257 1 7 . 1 1 115 115 ALA H H 115 8.178 8.178 7.983 0.195 18716 4258 1 7 . 1 1 116 116 GLN N N 116 119.228 119.228 117.719 1.509 18716 4259 1 7 . 1 1 116 116 GLN HA H 116 4.248 4.248 3.977 0.271 18716 4260 1 7 . 1 1 116 116 GLN CA C 116 56.549 56.549 58.514 -1.965 18716 4261 1 7 . 1 1 116 116 GLN H H 116 8.237 8.237 7.802 0.435 18716 4262 1 7 . 1 1 117 117 GLN N N 117 120.478 120.478 117.253 3.225 18716 4263 1 7 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.119 0.150 18716 4264 1 7 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.144 -1.820 18716 4265 1 7 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.803 0.803 18716 4266 1 7 . 1 1 117 117 GLN H H 117 8.266 8.266 7.807 0.459 18716 4267 1 7 . 1 1 118 118 ALA N N 118 124.852 124.852 121.693 3.159 18716 4268 1 7 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.186 0.090 18716 4269 1 7 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.992 -1.155 18716 4270 1 7 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.517 0.545 18716 4271 1 7 . 1 1 118 118 ALA H H 118 8.266 8.266 7.286 0.980 18716 4272 1 7 . 1 1 119 119 ALA N N 119 122.978 122.978 119.277 3.701 18716 4273 1 7 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.499 -0.205 18716 4274 1 7 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.154 0.483 18716 4275 1 7 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.405 0.796 18716 4276 1 7 . 1 1 119 119 ALA H H 119 8.163 8.163 8.164 -0.001 18716 4277 1 7 . 1 1 120 120 ALA N N 120 122.665 122.665 121.625 1.040 18716 4278 1 7 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.343 -0.066 18716 4279 1 7 . 1 1 120 120 ALA CA C 120 52.736 52.736 53.423 -0.688 18716 4280 1 7 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.880 -0.713 18716 4281 1 7 . 1 1 120 120 ALA H H 120 8.163 8.163 7.686 0.477 18716 4282 1 7 . 1 1 121 121 ASP N N 121 119.228 119.228 119.227 0.001 18716 4283 1 7 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.776 -0.094 18716 4284 1 7 . 1 1 121 121 ASP CA C 121 54.264 54.264 53.221 1.043 18716 4285 1 7 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.115 0.013 18716 4286 1 7 . 1 1 121 121 ASP H H 121 8.252 8.252 8.091 0.161 18716 4287 1 7 . 1 1 122 122 THR N N 122 113.602 113.602 111.870 1.732 18716 4288 1 7 . 1 1 122 122 THR HA H 122 4.358 4.358 4.083 0.275 18716 4289 1 7 . 1 1 122 122 THR CA C 122 61.971 61.971 62.574 -0.603 18716 4290 1 7 . 1 1 122 122 THR CB C 122 69.586 69.586 68.823 0.763 18716 4291 1 7 . 1 1 122 122 THR H H 122 8.075 8.075 7.743 0.332 18716 4292 1 7 . 1 1 123 123 GLY N N 123 110.478 110.478 109.047 1.431 18716 4293 1 7 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.808 0.795 18716 4294 1 7 . 1 1 123 123 GLY H H 123 8.414 8.414 8.426 -0.012 18716 4295 1 7 . 1 1 124 124 ASN N N 124 118.602 118.602 120.417 -1.815 18716 4296 1 7 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.883 -0.275 18716 4297 1 7 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.056 2.677 18716 4298 1 7 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.007 -1.469 18716 4299 1 7 . 1 1 124 124 ASN H H 124 8.266 8.266 8.672 -0.406 18716 4300 1 7 . 1 1 125 125 ASN N N 125 119.228 119.228 118.165 1.063 18716 4301 1 7 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.532 0.192 18716 4302 1 7 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.449 0.004 18716 4303 1 7 . 1 1 125 125 ASN CB C 125 38.813 38.813 38.987 -0.174 18716 4304 1 7 . 1 1 125 125 ASN H H 125 8.443 8.443 8.464 -0.021 18716 4305 1 7 . 1 1 126 126 SER N N 126 115.790 115.790 114.750 1.040 18716 4306 1 7 . 1 1 126 126 SER HA H 126 4.388 4.388 4.514 -0.126 18716 4307 1 7 . 1 1 126 126 SER CA C 126 58.851 58.851 58.041 0.810 18716 4308 1 7 . 1 1 126 126 SER CB C 126 63.926 63.926 63.518 0.408 18716 4309 1 7 . 1 1 126 126 SER H H 126 8.266 8.266 8.295 -0.029 18716 4310 1 7 . 1 1 127 127 GLN N N 127 121.728 121.728 124.862 -3.134 18716 4311 1 7 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.724 -0.401 18716 4312 1 7 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.432 0.791 18716 4313 1 7 . 1 1 127 127 GLN CB C 127 29.168 29.168 30.846 -1.678 18716 4314 1 7 . 1 1 127 127 GLN H H 127 8.355 8.355 8.466 -0.111 18716 4315 1 7 . 1 1 128 128 VAL N N 128 119.852 119.852 121.088 -1.236 18716 4316 1 7 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.363 -0.254 18716 4317 1 7 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.293 1.372 18716 4318 1 7 . 1 1 128 128 VAL CB C 128 32.769 32.769 33.669 -0.900 18716 4319 1 7 . 1 1 128 128 VAL H H 128 7.986 7.986 8.142 -0.156 18716 4320 1 7 . 1 1 129 129 SER N N 129 117.978 117.978 121.275 -3.297 18716 4321 1 7 . 1 1 129 129 SER HA H 129 4.136 4.136 4.723 -0.587 18716 4322 1 7 . 1 1 129 129 SER CA C 129 58.404 58.404 58.065 0.339 18716 4323 1 7 . 1 1 129 129 SER CB C 129 63.755 63.755 63.593 0.162 18716 4324 1 7 . 1 1 129 129 SER H H 129 8.252 8.252 8.222 0.030 18716 4325 1 7 . 1 1 130 130 GLN N N 130 121.728 121.728 118.272 3.456 18716 4326 1 7 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.583 -0.228 18716 4327 1 7 . 1 1 130 130 GLN CA C 130 56.150 56.150 54.850 1.300 18716 4328 1 7 . 1 1 130 130 GLN CB C 130 29.373 29.373 30.505 -1.132 18716 4329 1 7 . 1 1 130 130 GLN H H 130 8.355 8.355 8.676 -0.321 18716 4330 1 7 . 1 1 131 131 ASN N N 131 118.290 118.290 119.822 -1.532 18716 4331 1 7 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.843 -0.211 18716 4332 1 7 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.193 0.375 18716 4333 1 7 . 1 1 131 131 ASN H H 131 8.252 8.252 9.238 -0.986 18716 4334 1 8 . 1 1 3 3 ALA N N 3 123.842 123.842 122.265 1.577 18716 4335 1 8 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.400 -0.072 18716 4336 1 8 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.951 0.586 18716 4337 1 8 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.550 -2.299 18716 4338 1 8 . 1 1 3 3 ALA H H 3 8.183 8.183 8.189 -0.006 18716 4339 1 8 . 1 1 4 4 ARG N N 4 120.165 120.165 119.801 0.364 18716 4340 1 8 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.209 0.047 18716 4341 1 8 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.949 0.016 18716 4342 1 8 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.626 0.335 18716 4343 1 8 . 1 1 4 4 ARG H H 4 8.429 8.429 8.317 0.112 18716 4344 1 8 . 1 1 5 5 ALA N N 5 125.165 125.165 124.379 0.786 18716 4345 1 8 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.175 0.107 18716 4346 1 8 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.855 -0.484 18716 4347 1 8 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.511 0.161 18716 4348 1 8 . 1 1 5 5 ALA H H 5 8.370 8.370 8.358 0.012 18716 4349 1 8 . 1 1 6 6 SER N N 6 114.540 114.540 116.888 -2.348 18716 4350 1 8 . 1 1 6 6 SER HA H 6 4.479 4.479 4.773 -0.294 18716 4351 1 8 . 1 1 6 6 SER CA C 6 57.804 57.804 57.667 0.137 18716 4352 1 8 . 1 1 6 6 SER CB C 6 64.034 64.034 63.805 0.229 18716 4353 1 8 . 1 1 6 6 SER H H 6 8.134 8.134 8.435 -0.301 18716 4354 1 8 . 1 1 7 7 VAL N N 7 121.415 121.415 124.198 -2.783 18716 4355 1 8 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.869 -0.252 18716 4356 1 8 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.250 1.461 18716 4357 1 8 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.232 -0.296 18716 4358 1 8 . 1 1 7 7 VAL H H 7 8.119 8.119 8.500 -0.381 18716 4359 1 8 . 1 1 8 8 LEU N N 8 115.478 115.478 118.235 -2.757 18716 4360 1 8 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.731 0.183 18716 4361 1 8 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.045 -0.570 18716 4362 1 8 . 1 1 8 8 LEU CB C 8 44.314 44.314 43.206 1.108 18716 4363 1 8 . 1 1 8 8 LEU H H 8 7.382 7.382 7.475 -0.093 18716 4364 1 8 . 1 1 9 9 SER N N 9 118.290 118.290 119.850 -1.560 18716 4365 1 8 . 1 1 9 9 SER HA H 9 4.606 4.606 4.430 0.176 18716 4366 1 8 . 1 1 9 9 SER CA C 9 57.197 57.197 57.943 -0.746 18716 4367 1 8 . 1 1 9 9 SER CB C 9 65.426 65.426 65.239 0.187 18716 4368 1 8 . 1 1 9 9 SER H H 9 9.166 9.166 8.925 0.241 18716 4369 1 8 . 1 1 10 10 GLY N N 10 109.228 109.228 108.426 0.802 18716 4370 1 8 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.981 0.693 18716 4371 1 8 . 1 1 10 10 GLY H H 10 8.959 8.959 8.702 0.257 18716 4372 1 8 . 1 1 11 11 GLY N N 11 111.102 111.102 109.843 1.259 18716 4373 1 8 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.428 0.233 18716 4374 1 8 . 1 1 11 11 GLY H H 11 8.782 8.782 7.786 0.996 18716 4375 1 8 . 1 1 12 12 GLU N N 12 120.165 120.165 122.015 -1.850 18716 4376 1 8 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.047 -0.097 18716 4377 1 8 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.543 0.553 18716 4378 1 8 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.460 1.830 18716 4379 1 8 . 1 1 12 12 GLU H H 12 7.751 7.751 7.620 0.131 18716 4380 1 8 . 1 1 13 13 LEU N N 13 121.415 121.415 122.009 -0.594 18716 4381 1 8 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.092 0.016 18716 4382 1 8 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.317 -0.255 18716 4383 1 8 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.843 -0.907 18716 4384 1 8 . 1 1 13 13 LEU H H 13 8.340 8.340 8.322 0.018 18716 4385 1 8 . 1 1 14 14 ASP N N 14 116.415 116.415 119.167 -2.752 18716 4386 1 8 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.316 0.077 18716 4387 1 8 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.949 -0.813 18716 4388 1 8 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.833 0.253 18716 4389 1 8 . 1 1 14 14 ASP H H 14 7.574 7.574 7.818 -0.244 18716 4390 1 8 . 1 1 15 15 LYS N N 15 115.478 115.478 119.256 -3.778 18716 4391 1 8 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.101 -0.055 18716 4392 1 8 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.178 -0.776 18716 4393 1 8 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.395 -0.036 18716 4394 1 8 . 1 1 15 15 LYS H H 15 7.117 7.117 7.660 -0.543 18716 4395 1 8 . 1 1 16 16 TRP N N 16 121.693 121.693 121.759 -0.066 18716 4396 1 8 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.154 -0.129 18716 4397 1 8 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.567 -0.281 18716 4398 1 8 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.517 1.596 18716 4399 1 8 . 1 1 16 16 TRP H H 16 8.646 8.646 8.089 0.557 18716 4400 1 8 . 1 1 17 17 GLU N N 17 127.710 127.710 116.516 11.194 18716 4401 1 8 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.331 0.360 18716 4402 1 8 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.799 -2.030 18716 4403 1 8 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.515 0.230 18716 4404 1 8 . 1 1 17 17 GLU H H 17 7.571 7.571 8.263 -0.692 18716 4405 1 8 . 1 1 18 18 LYS N N 18 115.790 115.790 119.399 -3.609 18716 4406 1 8 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.169 0.328 18716 4407 1 8 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.175 -1.606 18716 4408 1 8 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.097 0.841 18716 4409 1 8 . 1 1 18 18 LYS H H 18 7.456 7.456 7.341 0.115 18716 4410 1 8 . 1 1 19 19 ILE N N 19 124.228 124.228 121.244 2.984 18716 4411 1 8 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.993 -0.436 18716 4412 1 8 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.681 -0.561 18716 4413 1 8 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.630 0.552 18716 4414 1 8 . 1 1 19 19 ILE H H 19 7.633 7.633 8.088 -0.455 18716 4415 1 8 . 1 1 20 20 ARG N N 20 125.790 125.790 124.723 1.067 18716 4416 1 8 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.427 0.001 18716 4417 1 8 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.214 1.281 18716 4418 1 8 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.218 0.319 18716 4419 1 8 . 1 1 20 20 ARG H H 20 8.031 8.031 8.561 -0.530 18716 4420 1 8 . 1 1 21 21 LEU N N 21 120.165 120.165 120.263 -0.098 18716 4421 1 8 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.772 -0.341 18716 4422 1 8 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.157 2.078 18716 4423 1 8 . 1 1 21 21 LEU CB C 21 41.554 41.554 42.184 -0.630 18716 4424 1 8 . 1 1 21 21 LEU H H 21 7.810 7.810 7.809 0.001 18716 4425 1 8 . 1 1 22 22 ARG N N 22 119.540 119.540 115.253 4.287 18716 4426 1 8 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.564 0.281 18716 4427 1 8 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.669 -0.825 18716 4428 1 8 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.264 -0.646 18716 4429 1 8 . 1 1 22 22 ARG H H 22 8.974 8.974 7.631 1.343 18716 4430 1 8 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.597 -0.237 18716 4431 1 8 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.476 -1.040 18716 4432 1 8 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.160 -0.595 18716 4433 1 8 . 1 1 24 24 GLY N N 24 112.665 112.665 106.571 6.094 18716 4434 1 8 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.647 1.158 18716 4435 1 8 . 1 1 24 24 GLY H H 24 9.138 9.138 8.340 0.798 18716 4436 1 8 . 1 1 25 25 GLY N N 25 107.978 107.978 107.944 0.034 18716 4437 1 8 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.267 0.304 18716 4438 1 8 . 1 1 25 25 GLY H H 25 8.134 8.134 7.172 0.962 18716 4439 1 8 . 1 1 26 26 LYS N N 26 117.665 117.665 117.964 -0.299 18716 4440 1 8 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.395 -0.131 18716 4441 1 8 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.235 0.618 18716 4442 1 8 . 1 1 26 26 LYS CB C 26 34.056 34.056 33.504 0.552 18716 4443 1 8 . 1 1 26 26 LYS H H 26 8.665 8.665 8.275 0.390 18716 4444 1 8 . 1 1 27 27 LYS N N 27 117.925 117.925 122.372 -4.447 18716 4445 1 8 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.076 0.235 18716 4446 1 8 . 1 1 27 27 LYS CA C 27 57.211 57.211 56.715 0.496 18716 4447 1 8 . 1 1 27 27 LYS CB C 27 33.878 33.878 31.964 1.914 18716 4448 1 8 . 1 1 27 27 LYS H H 27 7.817 7.817 8.077 -0.260 18716 4449 1 8 . 1 1 28 28 GLN N N 28 122.978 122.978 122.118 0.860 18716 4450 1 8 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.141 0.675 18716 4451 1 8 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.622 -1.149 18716 4452 1 8 . 1 1 28 28 GLN CB C 28 34.054 34.054 29.767 4.287 18716 4453 1 8 . 1 1 28 28 GLN H H 28 8.458 8.458 8.278 0.180 18716 4454 1 8 . 1 1 29 29 TYR N N 29 119.540 119.540 119.596 -0.056 18716 4455 1 8 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.411 -0.679 18716 4456 1 8 . 1 1 29 29 TYR CA C 29 61.010 61.010 60.022 0.988 18716 4457 1 8 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.147 -1.931 18716 4458 1 8 . 1 1 29 29 TYR H H 29 7.824 7.824 8.353 -0.529 18716 4459 1 8 . 1 1 30 30 LYS N N 30 117.978 117.978 120.171 -2.193 18716 4460 1 8 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.875 0.341 18716 4461 1 8 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.904 -0.839 18716 4462 1 8 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.409 2.179 18716 4463 1 8 . 1 1 30 30 LYS H H 30 10.610 10.610 9.237 1.373 18716 4464 1 8 . 1 1 31 31 LEU N N 31 128.602 128.602 124.258 4.344 18716 4465 1 8 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.160 0.021 18716 4466 1 8 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.127 1.107 18716 4467 1 8 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.368 -0.366 18716 4468 1 8 . 1 1 31 31 LEU H H 31 9.991 9.991 9.156 0.835 18716 4469 1 8 . 1 1 32 32 LYS N N 32 115.165 115.165 118.900 -3.735 18716 4470 1 8 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.954 0.191 18716 4471 1 8 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.211 -0.114 18716 4472 1 8 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.919 -0.360 18716 4473 1 8 . 1 1 32 32 LYS H H 32 8.399 8.399 8.678 -0.279 18716 4474 1 8 . 1 1 33 33 HIS N N 33 119.540 119.540 116.741 2.799 18716 4475 1 8 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.750 -0.146 18716 4476 1 8 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.380 3.511 18716 4477 1 8 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.596 2.188 18716 4478 1 8 . 1 1 33 33 HIS H H 33 8.193 8.193 7.987 0.206 18716 4479 1 8 . 1 1 34 34 ILE N N 34 119.540 119.540 121.036 -1.496 18716 4480 1 8 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.923 -0.129 18716 4481 1 8 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.768 -0.920 18716 4482 1 8 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.774 -0.795 18716 4483 1 8 . 1 1 34 34 ILE H H 34 7.898 7.898 7.556 0.342 18716 4484 1 8 . 1 1 35 35 VAL N N 35 122.040 122.040 118.781 3.259 18716 4485 1 8 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.758 -0.146 18716 4486 1 8 . 1 1 35 35 VAL CA C 35 66.746 66.746 67.106 -0.360 18716 4487 1 8 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.494 0.647 18716 4488 1 8 . 1 1 35 35 VAL H H 35 7.706 7.706 8.618 -0.912 18716 4489 1 8 . 1 1 36 36 TRP N N 36 119.986 119.986 122.468 -2.482 18716 4490 1 8 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.258 -0.025 18716 4491 1 8 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.007 0.103 18716 4492 1 8 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.369 -0.957 18716 4493 1 8 . 1 1 36 36 TRP H H 36 8.452 8.452 7.728 0.724 18716 4494 1 8 . 1 1 37 37 ALA N N 37 120.478 120.478 119.178 1.300 18716 4495 1 8 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.625 -0.233 18716 4496 1 8 . 1 1 37 37 ALA CA C 37 55.137 55.137 54.774 0.363 18716 4497 1 8 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.269 -0.839 18716 4498 1 8 . 1 1 37 37 ALA H H 37 8.311 8.311 8.226 0.085 18716 4499 1 8 . 1 1 38 38 SER N N 38 111.415 111.415 114.637 -3.222 18716 4500 1 8 . 1 1 38 38 SER HA H 38 3.906 3.906 4.083 -0.177 18716 4501 1 8 . 1 1 38 38 SER CA C 38 62.801 62.801 61.532 1.269 18716 4502 1 8 . 1 1 38 38 SER CB C 38 62.829 62.829 63.112 -0.283 18716 4503 1 8 . 1 1 38 38 SER H H 38 8.259 8.259 7.625 0.634 18716 4504 1 8 . 1 1 39 39 ARG N N 39 119.852 119.852 120.856 -1.004 18716 4505 1 8 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.025 0.121 18716 4506 1 8 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.236 -0.827 18716 4507 1 8 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.342 -0.334 18716 4508 1 8 . 1 1 39 39 ARG H H 39 7.559 7.559 7.505 0.054 18716 4509 1 8 . 1 1 40 40 GLU N N 40 121.102 121.102 119.689 1.413 18716 4510 1 8 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.795 -0.008 18716 4511 1 8 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.485 -0.204 18716 4512 1 8 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.924 0.750 18716 4513 1 8 . 1 1 40 40 GLU H H 40 8.222 8.222 7.652 0.570 18716 4514 1 8 . 1 1 41 41 LEU N N 41 117.040 117.040 120.344 -3.304 18716 4515 1 8 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.114 -0.154 18716 4516 1 8 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.763 0.534 18716 4517 1 8 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.021 -1.841 18716 4518 1 8 . 1 1 41 41 LEU H H 41 8.016 8.016 7.755 0.261 18716 4519 1 8 . 1 1 42 42 GLU N N 42 117.352 117.352 118.571 -1.219 18716 4520 1 8 . 1 1 42 42 GLU HA H 42 4.127 4.127 3.985 0.142 18716 4521 1 8 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.168 0.403 18716 4522 1 8 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.245 0.420 18716 4523 1 8 . 1 1 42 42 GLU H H 42 7.559 7.559 7.627 -0.068 18716 4524 1 8 . 1 1 43 43 ARG N N 43 119.540 119.540 118.461 1.079 18716 4525 1 8 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.007 0.020 18716 4526 1 8 . 1 1 43 43 ARG CA C 43 58.601 58.601 57.611 0.991 18716 4527 1 8 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.856 -0.191 18716 4528 1 8 . 1 1 43 43 ARG H H 43 7.647 7.647 7.249 0.398 18716 4529 1 8 . 1 1 44 44 PHE N N 44 117.665 117.665 118.175 -0.510 18716 4530 1 8 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.644 -0.028 18716 4531 1 8 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.400 1.026 18716 4532 1 8 . 1 1 44 44 PHE CB C 44 39.154 39.154 37.881 1.273 18716 4533 1 8 . 1 1 44 44 PHE H H 44 7.529 7.529 7.553 -0.024 18716 4534 1 8 . 1 1 45 45 ALA N N 45 118.915 118.915 119.332 -0.417 18716 4535 1 8 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.932 0.083 18716 4536 1 8 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.285 0.129 18716 4537 1 8 . 1 1 45 45 ALA CB C 45 16.281 16.281 16.883 -0.602 18716 4538 1 8 . 1 1 45 45 ALA H H 45 7.928 7.928 7.668 0.260 18716 4539 1 8 . 1 1 46 46 VAL N N 46 119.540 119.540 118.561 0.979 18716 4540 1 8 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.159 -0.064 18716 4541 1 8 . 1 1 46 46 VAL CA C 46 60.789 60.789 61.021 -0.232 18716 4542 1 8 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.345 0.075 18716 4543 1 8 . 1 1 46 46 VAL H H 46 7.765 7.765 7.596 0.169 18716 4544 1 8 . 1 1 47 47 ASN N N 47 125.790 125.790 127.174 -1.384 18716 4545 1 8 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.717 -0.071 18716 4546 1 8 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.094 -1.097 18716 4547 1 8 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.302 0.784 18716 4548 1 8 . 1 1 47 47 ASN H H 47 8.399 8.399 8.859 -0.460 18716 4549 1 8 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.406 -0.184 18716 4550 1 8 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.674 -0.360 18716 4551 1 8 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.930 -0.190 18716 4552 1 8 . 1 1 49 49 GLY N N 49 108.290 108.290 107.569 0.721 18716 4553 1 8 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.297 0.233 18716 4554 1 8 . 1 1 49 49 GLY H H 49 8.620 8.620 8.665 -0.045 18716 4555 1 8 . 1 1 50 50 LEU N N 50 121.728 121.728 121.609 0.119 18716 4556 1 8 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.161 -0.024 18716 4557 1 8 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.110 1.189 18716 4558 1 8 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.786 -0.223 18716 4559 1 8 . 1 1 50 50 LEU H H 50 7.765 7.765 7.519 0.246 18716 4560 1 8 . 1 1 51 51 LEU N N 51 112.040 112.040 118.332 -6.292 18716 4561 1 8 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.175 0.051 18716 4562 1 8 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.998 -0.491 18716 4563 1 8 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.957 0.533 18716 4564 1 8 . 1 1 51 51 LEU H H 51 7.412 7.412 7.764 -0.352 18716 4565 1 8 . 1 1 52 52 GLU N N 52 114.540 114.540 113.864 0.676 18716 4566 1 8 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.383 -0.328 18716 4567 1 8 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.218 3.166 18716 4568 1 8 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.369 1.689 18716 4569 1 8 . 1 1 52 52 GLU H H 52 7.500 7.500 7.520 -0.020 18716 4570 1 8 . 1 1 53 53 THR N N 53 122.978 122.978 111.248 11.730 18716 4571 1 8 . 1 1 53 53 THR HA H 53 4.402 4.402 4.485 -0.083 18716 4572 1 8 . 1 1 53 53 THR CA C 53 58.306 58.306 59.859 -1.553 18716 4573 1 8 . 1 1 53 53 THR CB C 53 73.222 73.222 71.871 1.351 18716 4574 1 8 . 1 1 53 53 THR H H 53 7.235 7.235 7.545 -0.310 18716 4575 1 8 . 1 1 54 54 SER N N 54 119.228 119.228 121.493 -2.265 18716 4576 1 8 . 1 1 54 54 SER HA H 54 4.043 4.043 4.259 -0.216 18716 4577 1 8 . 1 1 54 54 SER CA C 54 62.657 62.657 61.694 0.963 18716 4578 1 8 . 1 1 54 54 SER CB C 54 62.562 62.562 62.949 -0.387 18716 4579 1 8 . 1 1 54 54 SER H H 54 9.313 9.313 8.941 0.372 18716 4580 1 8 . 1 1 55 55 GLU N N 55 121.233 121.233 120.986 0.247 18716 4581 1 8 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.372 -0.303 18716 4582 1 8 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.751 0.924 18716 4583 1 8 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.542 -0.543 18716 4584 1 8 . 1 1 55 55 GLU H H 55 8.975 8.975 8.616 0.359 18716 4585 1 8 . 1 1 56 56 GLY N N 56 110.790 110.790 108.787 2.003 18716 4586 1 8 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.322 0.544 18716 4587 1 8 . 1 1 56 56 GLY H H 56 8.517 8.517 8.257 0.260 18716 4588 1 8 . 1 1 57 57 CYS N N 57 118.602 118.602 120.234 -1.632 18716 4589 1 8 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.007 0.017 18716 4590 1 8 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.942 0.660 18716 4591 1 8 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.596 20.199 18716 4592 1 8 . 1 1 57 57 CYS H H 57 8.134 8.134 8.116 0.018 18716 4593 1 8 . 1 1 58 58 ARG N N 58 119.540 119.540 118.354 1.186 18716 4594 1 8 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.489 0.061 18716 4595 1 8 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.355 0.352 18716 4596 1 8 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.831 -0.382 18716 4597 1 8 . 1 1 58 58 ARG H H 58 8.488 8.488 8.023 0.465 18716 4598 1 8 . 1 1 59 59 GLN N N 59 119.852 119.852 118.728 1.124 18716 4599 1 8 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.095 -0.043 18716 4600 1 8 . 1 1 59 59 GLN CA C 59 59.400 59.400 59.013 0.387 18716 4601 1 8 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.680 -0.446 18716 4602 1 8 . 1 1 59 59 GLN H H 59 8.016 8.016 7.466 0.550 18716 4603 1 8 . 1 1 60 60 ILE N N 60 120.790 120.790 120.988 -0.198 18716 4604 1 8 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.662 -0.050 18716 4605 1 8 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.348 0.303 18716 4606 1 8 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.906 -0.056 18716 4607 1 8 . 1 1 60 60 ILE H H 60 8.163 8.163 8.469 -0.306 18716 4608 1 8 . 1 1 61 61 LEU N N 61 118.915 118.915 118.075 0.840 18716 4609 1 8 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.154 -0.259 18716 4610 1 8 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.203 1.450 18716 4611 1 8 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.290 -0.514 18716 4612 1 8 . 1 1 61 61 LEU H H 61 8.370 8.370 8.345 0.025 18716 4613 1 8 . 1 1 62 62 GLY N N 62 104.332 104.332 107.239 -2.907 18716 4614 1 8 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.706 0.478 18716 4615 1 8 . 1 1 62 62 GLY H H 62 7.883 7.883 7.538 0.345 18716 4616 1 8 . 1 1 63 63 GLN N N 63 119.852 119.852 118.827 1.025 18716 4617 1 8 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.298 -0.150 18716 4618 1 8 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.467 0.406 18716 4619 1 8 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.047 0.068 18716 4620 1 8 . 1 1 63 63 GLN H H 63 7.795 7.795 7.609 0.186 18716 4621 1 8 . 1 1 64 64 LEU N N 64 117.040 117.040 119.040 -2.000 18716 4622 1 8 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.171 0.087 18716 4623 1 8 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.156 0.027 18716 4624 1 8 . 1 1 64 64 LEU CB C 64 44.198 44.198 42.070 2.128 18716 4625 1 8 . 1 1 64 64 LEU H H 64 8.252 8.252 7.445 0.807 18716 4626 1 8 . 1 1 65 65 GLN N N 65 118.915 118.915 119.968 -1.053 18716 4627 1 8 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.821 -0.042 18716 4628 1 8 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.926 0.621 18716 4629 1 8 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.879 -1.015 18716 4630 1 8 . 1 1 65 65 GLN H H 65 8.104 8.104 8.359 -0.255 18716 4631 1 8 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.316 0.067 18716 4632 1 8 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.962 0.955 18716 4633 1 8 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.162 -0.063 18716 4634 1 8 . 1 1 67 67 SER N N 67 111.415 111.415 113.091 -1.676 18716 4635 1 8 . 1 1 67 67 SER HA H 67 4.493 4.493 4.309 0.184 18716 4636 1 8 . 1 1 67 67 SER CA C 67 59.696 59.696 59.831 -0.135 18716 4637 1 8 . 1 1 67 67 SER CB C 67 64.031 64.031 63.087 0.944 18716 4638 1 8 . 1 1 67 67 SER H H 67 7.824 7.824 7.562 0.262 18716 4639 1 8 . 1 1 68 68 LEU N N 68 121.102 121.102 121.691 -0.589 18716 4640 1 8 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.822 -0.006 18716 4641 1 8 . 1 1 68 68 LEU CA C 68 57.948 57.948 58.049 -0.101 18716 4642 1 8 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.491 0.278 18716 4643 1 8 . 1 1 68 68 LEU H H 68 7.647 7.647 7.976 -0.329 18716 4644 1 8 . 1 1 69 69 GLN N N 69 116.415 116.415 118.586 -2.171 18716 4645 1 8 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.058 0.011 18716 4646 1 8 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.594 -0.124 18716 4647 1 8 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.934 -0.506 18716 4648 1 8 . 1 1 69 69 GLN H H 69 8.060 8.060 8.542 -0.482 18716 4649 1 8 . 1 1 70 70 THR N N 70 106.728 106.728 108.136 -1.408 18716 4650 1 8 . 1 1 70 70 THR HA H 70 4.481 4.481 4.549 -0.068 18716 4651 1 8 . 1 1 70 70 THR CA C 70 61.291 61.291 60.940 0.351 18716 4652 1 8 . 1 1 70 70 THR CB C 70 69.415 69.415 69.328 0.087 18716 4653 1 8 . 1 1 70 70 THR H H 70 7.515 7.515 7.700 -0.185 18716 4654 1 8 . 1 1 71 71 GLY N N 71 109.540 109.540 109.864 -0.324 18716 4655 1 8 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.226 1.327 18716 4656 1 8 . 1 1 71 71 GLY H H 71 7.692 7.692 7.405 0.287 18716 4657 1 8 . 1 1 72 72 SER N N 72 114.540 114.540 114.966 -0.426 18716 4658 1 8 . 1 1 72 72 SER HA H 72 4.625 4.625 4.806 -0.181 18716 4659 1 8 . 1 1 72 72 SER CA C 72 57.319 57.319 56.677 0.642 18716 4660 1 8 . 1 1 72 72 SER CB C 72 64.599 64.599 64.901 -0.302 18716 4661 1 8 . 1 1 72 72 SER H H 72 8.045 8.045 8.004 0.041 18716 4662 1 8 . 1 1 73 73 GLU N N 73 124.228 124.228 120.045 4.183 18716 4663 1 8 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.083 0.004 18716 4664 1 8 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.022 0.358 18716 4665 1 8 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.177 0.125 18716 4666 1 8 . 1 1 73 73 GLU H H 73 9.092 9.092 8.923 0.169 18716 4667 1 8 . 1 1 74 74 GLU N N 74 120.165 120.165 120.124 0.041 18716 4668 1 8 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.372 -0.114 18716 4669 1 8 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.307 0.999 18716 4670 1 8 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.774 -0.312 18716 4671 1 8 . 1 1 74 74 GLU H H 74 8.665 8.665 8.059 0.606 18716 4672 1 8 . 1 1 75 75 LEU N N 75 121.415 121.415 120.923 0.492 18716 4673 1 8 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.086 0.097 18716 4674 1 8 . 1 1 75 75 LEU CA C 75 57.932 57.932 58.015 -0.083 18716 4675 1 8 . 1 1 75 75 LEU CB C 75 41.178 41.178 41.970 -0.792 18716 4676 1 8 . 1 1 75 75 LEU H H 75 7.765 7.765 7.837 -0.072 18716 4677 1 8 . 1 1 76 76 ARG N N 76 119.228 119.228 118.987 0.241 18716 4678 1 8 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.995 -0.062 18716 4679 1 8 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.315 0.367 18716 4680 1 8 . 1 1 76 76 ARG CB C 76 29.197 29.197 29.773 -0.576 18716 4681 1 8 . 1 1 76 76 ARG H H 76 7.868 7.868 8.501 -0.633 18716 4682 1 8 . 1 1 77 77 SER N N 77 114.228 114.228 115.709 -1.481 18716 4683 1 8 . 1 1 77 77 SER HA H 77 4.263 4.263 4.202 0.061 18716 4684 1 8 . 1 1 77 77 SER CA C 77 62.668 62.668 62.637 0.031 18716 4685 1 8 . 1 1 77 77 SER CB C 77 62.849 62.849 62.979 -0.130 18716 4686 1 8 . 1 1 77 77 SER H H 77 8.576 8.576 7.967 0.609 18716 4687 1 8 . 1 1 78 78 LEU N N 78 125.790 125.790 123.612 2.178 18716 4688 1 8 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.288 0.133 18716 4689 1 8 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.153 0.809 18716 4690 1 8 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.294 0.624 18716 4691 1 8 . 1 1 78 78 LEU H H 78 8.458 8.458 7.779 0.679 18716 4692 1 8 . 1 1 79 79 TYR N N 79 119.852 119.852 119.398 0.454 18716 4693 1 8 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.084 -0.423 18716 4694 1 8 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.720 1.082 18716 4695 1 8 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.342 0.852 18716 4696 1 8 . 1 1 79 79 TYR H H 79 8.694 8.694 8.679 0.015 18716 4697 1 8 . 1 1 80 80 ASN N N 80 117.040 117.040 117.693 -0.653 18716 4698 1 8 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.525 -0.241 18716 4699 1 8 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.135 -0.348 18716 4700 1 8 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.255 -0.416 18716 4701 1 8 . 1 1 80 80 ASN H H 80 8.871 8.871 7.965 0.906 18716 4702 1 8 . 1 1 81 81 THR N N 81 115.790 115.790 118.957 -3.167 18716 4703 1 8 . 1 1 81 81 THR HA H 81 3.945 3.945 4.273 -0.328 18716 4704 1 8 . 1 1 81 81 THR CA C 81 67.855 67.855 67.385 0.470 18716 4705 1 8 . 1 1 81 81 THR CB C 81 69.140 69.140 69.330 -0.190 18716 4706 1 8 . 1 1 81 81 THR H H 81 8.119 8.119 8.206 -0.087 18716 4707 1 8 . 1 1 82 82 ILE N N 82 121.102 121.102 121.008 0.094 18716 4708 1 8 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.818 -0.150 18716 4709 1 8 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.173 -0.653 18716 4710 1 8 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.355 -0.869 18716 4711 1 8 . 1 1 82 82 ILE H H 82 8.090 8.090 8.755 -0.665 18716 4712 1 8 . 1 1 83 83 ALA N N 83 125.165 125.165 123.269 1.896 18716 4713 1 8 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.963 -0.072 18716 4714 1 8 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.191 0.664 18716 4715 1 8 . 1 1 83 83 ALA CB C 83 17.841 17.841 18.050 -0.209 18716 4716 1 8 . 1 1 83 83 ALA H H 83 8.782 8.782 7.315 1.467 18716 4717 1 8 . 1 1 84 84 VAL N N 84 117.665 117.665 119.146 -1.481 18716 4718 1 8 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.616 -0.288 18716 4719 1 8 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.218 1.247 18716 4720 1 8 . 1 1 84 84 VAL CB C 84 30.695 30.695 30.622 0.073 18716 4721 1 8 . 1 1 84 84 VAL H H 84 7.795 7.795 7.660 0.135 18716 4722 1 8 . 1 1 85 85 LEU N N 85 122.040 122.040 120.904 1.136 18716 4723 1 8 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.989 -0.174 18716 4724 1 8 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.840 0.470 18716 4725 1 8 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.697 0.451 18716 4726 1 8 . 1 1 85 85 LEU H H 85 8.163 8.163 8.252 -0.089 18716 4727 1 8 . 1 1 86 86 TYR N N 86 118.915 118.915 120.375 -1.460 18716 4728 1 8 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.015 -0.103 18716 4729 1 8 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.206 1.612 18716 4730 1 8 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.860 0.427 18716 4731 1 8 . 1 1 86 86 TYR H H 86 9.062 9.062 7.937 1.125 18716 4732 1 8 . 1 1 87 87 CYS N N 87 116.102 116.102 115.855 0.247 18716 4733 1 8 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.749 0.045 18716 4734 1 8 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.134 1.832 18716 4735 1 8 . 1 1 87 87 CYS CB C 87 46.557 46.557 27.159 19.398 18716 4736 1 8 . 1 1 87 87 CYS H H 87 7.515 7.515 8.412 -0.897 18716 4737 1 8 . 1 1 88 88 VAL N N 88 119.978 119.978 118.223 1.755 18716 4738 1 8 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.820 0.058 18716 4739 1 8 . 1 1 88 88 VAL CA C 88 66.421 66.421 64.905 1.516 18716 4740 1 8 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.360 0.227 18716 4741 1 8 . 1 1 88 88 VAL H H 88 8.429 8.429 7.464 0.965 18716 4742 1 8 . 1 1 89 89 HIS N N 89 118.915 118.915 114.658 4.257 18716 4743 1 8 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.542 0.333 18716 4744 1 8 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.822 0.298 18716 4745 1 8 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.327 -0.244 18716 4746 1 8 . 1 1 89 89 HIS H H 89 8.797 8.797 7.275 1.522 18716 4747 1 8 . 1 1 90 90 GLN N N 90 116.728 116.728 117.515 -0.787 18716 4748 1 8 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.252 0.133 18716 4749 1 8 . 1 1 90 90 GLN CA C 90 55.289 55.289 56.825 -1.536 18716 4750 1 8 . 1 1 90 90 GLN CB C 90 30.952 30.952 30.556 0.396 18716 4751 1 8 . 1 1 90 90 GLN H H 90 7.986 7.986 7.610 0.376 18716 4752 1 8 . 1 1 91 91 ARG N N 91 115.165 115.165 115.675 -0.510 18716 4753 1 8 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.291 -0.278 18716 4754 1 8 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.873 0.310 18716 4755 1 8 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.161 -5.112 18716 4756 1 8 . 1 1 91 91 ARG H H 91 7.883 7.883 7.527 0.356 18716 4757 1 8 . 1 1 92 92 ILE N N 92 120.087 120.087 122.205 -2.118 18716 4758 1 8 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.033 -0.048 18716 4759 1 8 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.358 -1.702 18716 4760 1 8 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.430 0.500 18716 4761 1 8 . 1 1 92 92 ILE H H 92 8.335 8.335 7.848 0.487 18716 4762 1 8 . 1 1 93 93 ASP N N 93 129.228 129.228 127.086 2.142 18716 4763 1 8 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.721 -0.236 18716 4764 1 8 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.643 2.400 18716 4765 1 8 . 1 1 93 93 ASP CB C 93 40.396 40.396 39.809 0.587 18716 4766 1 8 . 1 1 93 93 ASP H H 93 8.620 8.620 8.526 0.094 18716 4767 1 8 . 1 1 94 94 VAL N N 94 115.790 115.790 115.959 -0.169 18716 4768 1 8 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.011 0.622 18716 4769 1 8 . 1 1 94 94 VAL CA C 94 59.120 59.120 61.984 -2.864 18716 4770 1 8 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.768 2.744 18716 4771 1 8 . 1 1 94 94 VAL H H 94 7.751 7.751 7.503 0.248 18716 4772 1 8 . 1 1 95 95 LYS N N 95 118.915 118.915 119.897 -0.982 18716 4773 1 8 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.484 -0.091 18716 4774 1 8 . 1 1 95 95 LYS CA C 95 56.671 56.671 56.735 -0.064 18716 4775 1 8 . 1 1 95 95 LYS CB C 95 34.008 34.008 34.508 -0.500 18716 4776 1 8 . 1 1 95 95 LYS H H 95 9.239 9.239 8.637 0.602 18716 4777 1 8 . 1 1 96 96 ASP N N 96 112.040 112.040 114.354 -2.314 18716 4778 1 8 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.331 0.231 18716 4779 1 8 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.535 0.294 18716 4780 1 8 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.361 1.243 18716 4781 1 8 . 1 1 96 96 ASP H H 96 7.412 7.412 7.555 -0.143 18716 4782 1 8 . 1 1 97 97 THR N N 97 109.540 109.540 114.316 -4.776 18716 4783 1 8 . 1 1 97 97 THR HA H 97 3.661 3.661 3.896 -0.235 18716 4784 1 8 . 1 1 97 97 THR CA C 97 65.947 65.947 67.157 -1.210 18716 4785 1 8 . 1 1 97 97 THR CB C 97 70.285 70.285 68.854 1.431 18716 4786 1 8 . 1 1 97 97 THR H H 97 7.250 7.250 8.291 -1.041 18716 4787 1 8 . 1 1 98 98 LYS N N 98 121.102 121.102 122.238 -1.136 18716 4788 1 8 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.992 -0.047 18716 4789 1 8 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.537 0.091 18716 4790 1 8 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.904 0.023 18716 4791 1 8 . 1 1 98 98 LYS H H 98 7.868 7.868 8.192 -0.324 18716 4792 1 8 . 1 1 99 99 GLU N N 99 119.228 119.228 118.804 0.424 18716 4793 1 8 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.021 0.057 18716 4794 1 8 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.347 0.448 18716 4795 1 8 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.494 0.752 18716 4796 1 8 . 1 1 99 99 GLU H H 99 8.384 8.384 8.880 -0.496 18716 4797 1 8 . 1 1 100 100 ALA N N 100 118.915 118.915 121.667 -2.752 18716 4798 1 8 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.166 0.220 18716 4799 1 8 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.911 0.485 18716 4800 1 8 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.629 1.130 18716 4801 1 8 . 1 1 100 100 ALA H H 100 7.382 7.382 7.616 -0.234 18716 4802 1 8 . 1 1 101 101 LEU N N 101 117.978 117.978 119.530 -1.552 18716 4803 1 8 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.138 -0.118 18716 4804 1 8 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.681 0.294 18716 4805 1 8 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.223 0.270 18716 4806 1 8 . 1 1 101 101 LEU H H 101 8.119 8.119 7.939 0.180 18716 4807 1 8 . 1 1 102 102 ASP N N 102 120.478 120.478 120.164 0.314 18716 4808 1 8 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.388 -0.021 18716 4809 1 8 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.615 -0.263 18716 4810 1 8 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.728 -1.006 18716 4811 1 8 . 1 1 102 102 ASP H H 102 8.679 8.679 8.191 0.488 18716 4812 1 8 . 1 1 103 103 LYS N N 103 120.165 120.165 119.779 0.386 18716 4813 1 8 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.119 0.045 18716 4814 1 8 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.498 -1.134 18716 4815 1 8 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.455 -0.923 18716 4816 1 8 . 1 1 103 103 LYS H H 103 8.207 8.207 7.734 0.473 18716 4817 1 8 . 1 1 104 104 ILE N N 104 119.852 119.852 118.671 1.181 18716 4818 1 8 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.776 0.034 18716 4819 1 8 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.345 -0.737 18716 4820 1 8 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.007 -0.573 18716 4821 1 8 . 1 1 104 104 ILE H H 104 8.163 8.163 7.610 0.553 18716 4822 1 8 . 1 1 105 105 GLU N N 105 121.415 121.415 119.630 1.785 18716 4823 1 8 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.049 -0.014 18716 4824 1 8 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.128 0.506 18716 4825 1 8 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.780 2.976 18716 4826 1 8 . 1 1 105 105 GLU H H 105 8.001 8.001 8.215 -0.214 18716 4827 1 8 . 1 1 106 106 GLU N N 106 119.228 119.228 120.799 -1.571 18716 4828 1 8 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.090 -0.000 18716 4829 1 8 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.642 -0.375 18716 4830 1 8 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.697 -0.100 18716 4831 1 8 . 1 1 106 106 GLU H H 106 8.031 8.031 8.025 0.006 18716 4832 1 8 . 1 1 107 107 GLU N N 107 118.915 118.915 119.162 -0.247 18716 4833 1 8 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.004 0.069 18716 4834 1 8 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.422 -0.081 18716 4835 1 8 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.634 0.237 18716 4836 1 8 . 1 1 107 107 GLU H H 107 8.016 8.016 8.100 -0.084 18716 4837 1 8 . 1 1 108 108 GLN N N 108 118.290 118.290 117.774 0.516 18716 4838 1 8 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.179 -0.032 18716 4839 1 8 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.032 0.375 18716 4840 1 8 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.607 0.238 18716 4841 1 8 . 1 1 108 108 GLN H H 108 8.252 8.252 7.734 0.518 18716 4842 1 8 . 1 1 109 109 ASN N N 109 118.290 118.290 119.441 -1.151 18716 4843 1 8 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.371 0.246 18716 4844 1 8 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.508 -1.626 18716 4845 1 8 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.670 -0.145 18716 4846 1 8 . 1 1 109 109 ASN H H 109 8.252 8.252 7.898 0.354 18716 4847 1 8 . 1 1 110 110 LYS N N 110 120.478 120.478 119.927 0.551 18716 4848 1 8 . 1 1 110 110 LYS HA H 110 4.230 4.230 3.998 0.232 18716 4849 1 8 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.874 -1.563 18716 4850 1 8 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.436 0.255 18716 4851 1 8 . 1 1 110 110 LYS H H 110 8.031 8.031 7.807 0.224 18716 4852 1 8 . 1 1 111 111 SER N N 111 114.540 114.540 113.824 0.716 18716 4853 1 8 . 1 1 111 111 SER HA H 111 4.368 4.368 4.202 0.166 18716 4854 1 8 . 1 1 111 111 SER CA C 111 59.764 59.764 61.491 -1.727 18716 4855 1 8 . 1 1 111 111 SER CB C 111 63.442 63.442 63.054 0.388 18716 4856 1 8 . 1 1 111 111 SER H H 111 8.031 8.031 7.784 0.247 18716 4857 1 8 . 1 1 112 112 LYS N N 112 122.040 122.040 121.058 0.982 18716 4858 1 8 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.228 0.017 18716 4859 1 8 . 1 1 112 112 LYS CA C 112 57.329 57.329 57.980 -0.651 18716 4860 1 8 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.493 0.282 18716 4861 1 8 . 1 1 112 112 LYS H H 112 7.957 7.957 7.531 0.426 18716 4862 1 8 . 1 1 113 113 LYS N N 113 120.790 120.790 118.571 2.219 18716 4863 1 8 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.150 0.000 18716 4864 1 8 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.053 0.081 18716 4865 1 8 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.874 -0.108 18716 4866 1 8 . 1 1 113 113 LYS H H 113 8.016 8.016 8.106 -0.090 18716 4867 1 8 . 1 1 114 114 LYS N N 114 121.728 121.728 119.421 2.307 18716 4868 1 8 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.087 0.176 18716 4869 1 8 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.256 -1.071 18716 4870 1 8 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.563 0.294 18716 4871 1 8 . 1 1 114 114 LYS H H 114 8.119 8.119 8.291 -0.172 18716 4872 1 8 . 1 1 115 115 ALA N N 115 124.228 124.228 118.015 6.213 18716 4873 1 8 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.631 -0.363 18716 4874 1 8 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.190 0.845 18716 4875 1 8 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.001 1.037 18716 4876 1 8 . 1 1 115 115 ALA H H 115 8.178 8.178 7.271 0.907 18716 4877 1 8 . 1 1 116 116 GLN N N 116 119.228 119.228 117.900 1.328 18716 4878 1 8 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.386 -0.138 18716 4879 1 8 . 1 1 116 116 GLN CA C 116 56.549 56.549 57.269 -0.720 18716 4880 1 8 . 1 1 116 116 GLN H H 116 8.237 8.237 7.674 0.563 18716 4881 1 8 . 1 1 117 117 GLN N N 117 120.478 120.478 120.770 -0.292 18716 4882 1 8 . 1 1 117 117 GLN HA H 117 4.269 4.269 3.978 0.291 18716 4883 1 8 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.682 -2.358 18716 4884 1 8 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.606 1.000 18716 4885 1 8 . 1 1 117 117 GLN H H 117 8.266 8.266 7.923 0.343 18716 4886 1 8 . 1 1 118 118 ALA N N 118 124.852 124.852 120.570 4.282 18716 4887 1 8 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.089 0.187 18716 4888 1 8 . 1 1 118 118 ALA CA C 118 52.837 52.837 54.199 -1.362 18716 4889 1 8 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.287 0.775 18716 4890 1 8 . 1 1 118 118 ALA H H 118 8.266 8.266 8.405 -0.139 18716 4891 1 8 . 1 1 119 119 ALA N N 119 122.978 122.978 120.869 2.109 18716 4892 1 8 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.405 -0.111 18716 4893 1 8 . 1 1 119 119 ALA CA C 119 52.637 52.637 51.744 0.893 18716 4894 1 8 . 1 1 119 119 ALA CB C 119 19.201 19.201 17.340 1.861 18716 4895 1 8 . 1 1 119 119 ALA H H 119 8.163 8.163 7.742 0.421 18716 4896 1 8 . 1 1 120 120 ALA N N 120 122.665 122.665 122.237 0.428 18716 4897 1 8 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.525 -0.248 18716 4898 1 8 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.590 0.146 18716 4899 1 8 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.800 -0.633 18716 4900 1 8 . 1 1 120 120 ALA H H 120 8.163 8.163 7.680 0.483 18716 4901 1 8 . 1 1 121 121 ASP N N 121 119.228 119.228 119.184 0.044 18716 4902 1 8 . 1 1 121 121 ASP HA H 121 4.682 4.682 5.093 -0.411 18716 4903 1 8 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.077 0.187 18716 4904 1 8 . 1 1 121 121 ASP CB C 121 41.128 41.128 42.812 -1.684 18716 4905 1 8 . 1 1 121 121 ASP H H 121 8.252 8.252 8.327 -0.075 18716 4906 1 8 . 1 1 122 122 THR N N 122 113.602 113.602 112.720 0.882 18716 4907 1 8 . 1 1 122 122 THR HA H 122 4.358 4.358 4.010 0.348 18716 4908 1 8 . 1 1 122 122 THR CA C 122 61.971 61.971 62.332 -0.361 18716 4909 1 8 . 1 1 122 122 THR CB C 122 69.586 69.586 69.110 0.476 18716 4910 1 8 . 1 1 122 122 THR H H 122 8.075 8.075 7.881 0.194 18716 4911 1 8 . 1 1 123 123 GLY N N 123 110.478 110.478 107.552 2.926 18716 4912 1 8 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.889 -0.286 18716 4913 1 8 . 1 1 123 123 GLY H H 123 8.414 8.414 8.437 -0.023 18716 4914 1 8 . 1 1 124 124 ASN N N 124 118.602 118.602 117.950 0.652 18716 4915 1 8 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.784 -0.176 18716 4916 1 8 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.651 2.082 18716 4917 1 8 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.206 -1.668 18716 4918 1 8 . 1 1 124 124 ASN H H 124 8.266 8.266 7.737 0.529 18716 4919 1 8 . 1 1 125 125 ASN N N 125 119.228 119.228 121.113 -1.885 18716 4920 1 8 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.633 0.091 18716 4921 1 8 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.862 -0.409 18716 4922 1 8 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.335 -0.522 18716 4923 1 8 . 1 1 125 125 ASN H H 125 8.443 8.443 8.697 -0.254 18716 4924 1 8 . 1 1 126 126 SER N N 126 115.790 115.790 116.256 -0.466 18716 4925 1 8 . 1 1 126 126 SER HA H 126 4.388 4.388 4.395 -0.007 18716 4926 1 8 . 1 1 126 126 SER CA C 126 58.851 58.851 59.379 -0.528 18716 4927 1 8 . 1 1 126 126 SER CB C 126 63.926 63.926 62.805 1.121 18716 4928 1 8 . 1 1 126 126 SER H H 126 8.266 8.266 8.095 0.171 18716 4929 1 8 . 1 1 127 127 GLN N N 127 121.728 121.728 125.917 -4.189 18716 4930 1 8 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.466 -0.143 18716 4931 1 8 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.671 0.552 18716 4932 1 8 . 1 1 127 127 GLN CB C 127 29.168 29.168 30.630 -1.462 18716 4933 1 8 . 1 1 127 127 GLN H H 127 8.355 8.355 8.475 -0.120 18716 4934 1 8 . 1 1 128 128 VAL N N 128 119.852 119.852 122.624 -2.772 18716 4935 1 8 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.477 -0.368 18716 4936 1 8 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.241 1.424 18716 4937 1 8 . 1 1 128 128 VAL CB C 128 32.769 32.769 33.100 -0.331 18716 4938 1 8 . 1 1 128 128 VAL H H 128 7.986 7.986 8.306 -0.320 18716 4939 1 8 . 1 1 129 129 SER N N 129 117.978 117.978 121.106 -3.128 18716 4940 1 8 . 1 1 129 129 SER HA H 129 4.136 4.136 4.741 -0.605 18716 4941 1 8 . 1 1 129 129 SER CA C 129 58.404 58.404 57.801 0.603 18716 4942 1 8 . 1 1 129 129 SER CB C 129 63.755 63.755 63.535 0.220 18716 4943 1 8 . 1 1 129 129 SER H H 129 8.252 8.252 8.546 -0.294 18716 4944 1 8 . 1 1 130 130 GLN N N 130 121.728 121.728 122.267 -0.539 18716 4945 1 8 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.758 -0.403 18716 4946 1 8 . 1 1 130 130 GLN CA C 130 56.150 56.150 54.629 1.521 18716 4947 1 8 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.328 0.045 18716 4948 1 8 . 1 1 130 130 GLN H H 130 8.355 8.355 8.636 -0.281 18716 4949 1 8 . 1 1 131 131 ASN N N 131 118.290 118.290 117.393 0.897 18716 4950 1 8 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.992 -0.360 18716 4951 1 8 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.990 0.577 18716 4952 1 8 . 1 1 131 131 ASN H H 131 8.252 8.252 9.111 -0.859 18716 4953 1 9 . 1 1 3 3 ALA N N 3 123.842 123.842 123.198 0.644 18716 4954 1 9 . 1 1 3 3 ALA HA H 3 4.328 4.328 3.881 0.447 18716 4955 1 9 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.781 -0.244 18716 4956 1 9 . 1 1 3 3 ALA CB C 3 17.251 17.251 18.291 -1.040 18716 4957 1 9 . 1 1 3 3 ALA H H 3 8.183 8.183 8.390 -0.207 18716 4958 1 9 . 1 1 4 4 ARG N N 4 120.165 120.165 119.234 0.931 18716 4959 1 9 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.303 -0.047 18716 4960 1 9 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.455 -0.490 18716 4961 1 9 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.132 -0.171 18716 4962 1 9 . 1 1 4 4 ARG H H 4 8.429 8.429 8.007 0.422 18716 4963 1 9 . 1 1 5 5 ALA N N 5 125.165 125.165 124.789 0.376 18716 4964 1 9 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.555 -0.273 18716 4965 1 9 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.586 0.785 18716 4966 1 9 . 1 1 5 5 ALA CB C 5 19.672 19.672 18.922 0.750 18716 4967 1 9 . 1 1 5 5 ALA H H 5 8.370 8.370 8.009 0.361 18716 4968 1 9 . 1 1 6 6 SER N N 6 114.540 114.540 119.198 -4.658 18716 4969 1 9 . 1 1 6 6 SER HA H 6 4.479 4.479 4.575 -0.096 18716 4970 1 9 . 1 1 6 6 SER CA C 6 57.804 57.804 58.025 -0.221 18716 4971 1 9 . 1 1 6 6 SER CB C 6 64.034 64.034 64.271 -0.237 18716 4972 1 9 . 1 1 6 6 SER H H 6 8.134 8.134 8.518 -0.384 18716 4973 1 9 . 1 1 7 7 VAL N N 7 121.415 121.415 122.416 -1.001 18716 4974 1 9 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.127 -0.510 18716 4975 1 9 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.238 2.473 18716 4976 1 9 . 1 1 7 7 VAL CB C 7 31.936 31.936 31.914 0.022 18716 4977 1 9 . 1 1 7 7 VAL H H 7 8.119 8.119 8.168 -0.049 18716 4978 1 9 . 1 1 8 8 LEU N N 8 115.478 115.478 121.057 -5.579 18716 4979 1 9 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.732 0.182 18716 4980 1 9 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.693 -1.218 18716 4981 1 9 . 1 1 8 8 LEU CB C 8 44.314 44.314 42.412 1.902 18716 4982 1 9 . 1 1 8 8 LEU H H 8 7.382 7.382 7.628 -0.246 18716 4983 1 9 . 1 1 9 9 SER N N 9 118.290 118.290 119.802 -1.512 18716 4984 1 9 . 1 1 9 9 SER HA H 9 4.606 4.606 4.480 0.126 18716 4985 1 9 . 1 1 9 9 SER CA C 9 57.197 57.197 57.729 -0.532 18716 4986 1 9 . 1 1 9 9 SER CB C 9 65.426 65.426 65.448 -0.021 18716 4987 1 9 . 1 1 9 9 SER H H 9 9.166 9.166 8.917 0.249 18716 4988 1 9 . 1 1 10 10 GLY N N 10 109.228 109.228 108.544 0.684 18716 4989 1 9 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.960 0.714 18716 4990 1 9 . 1 1 10 10 GLY H H 10 8.959 8.959 8.713 0.246 18716 4991 1 9 . 1 1 11 11 GLY N N 11 111.102 111.102 109.910 1.192 18716 4992 1 9 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.471 0.190 18716 4993 1 9 . 1 1 11 11 GLY H H 11 8.782 8.782 7.793 0.989 18716 4994 1 9 . 1 1 12 12 GLU N N 12 120.165 120.165 122.034 -1.869 18716 4995 1 9 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.057 -0.107 18716 4996 1 9 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.595 0.501 18716 4997 1 9 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.483 1.807 18716 4998 1 9 . 1 1 12 12 GLU H H 12 7.751 7.751 7.581 0.170 18716 4999 1 9 . 1 1 13 13 LEU N N 13 121.415 121.415 121.688 -0.273 18716 5000 1 9 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.073 0.035 18716 5001 1 9 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.216 -0.154 18716 5002 1 9 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.751 -0.815 18716 5003 1 9 . 1 1 13 13 LEU H H 13 8.340 8.340 8.413 -0.073 18716 5004 1 9 . 1 1 14 14 ASP N N 14 116.415 116.415 119.871 -3.456 18716 5005 1 9 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.360 0.033 18716 5006 1 9 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.800 -0.663 18716 5007 1 9 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.498 0.588 18716 5008 1 9 . 1 1 14 14 ASP H H 14 7.574 7.574 7.862 -0.288 18716 5009 1 9 . 1 1 15 15 LYS N N 15 115.478 115.478 120.334 -4.856 18716 5010 1 9 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.125 -0.079 18716 5011 1 9 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.455 -1.053 18716 5012 1 9 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.375 -0.016 18716 5013 1 9 . 1 1 15 15 LYS H H 15 7.117 7.117 7.521 -0.404 18716 5014 1 9 . 1 1 16 16 TRP N N 16 121.693 121.693 121.040 0.653 18716 5015 1 9 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.154 -0.129 18716 5016 1 9 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.656 -0.369 18716 5017 1 9 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.569 1.544 18716 5018 1 9 . 1 1 16 16 TRP H H 16 8.646 8.646 8.388 0.258 18716 5019 1 9 . 1 1 17 17 GLU N N 17 127.710 127.710 116.458 11.252 18716 5020 1 9 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.346 0.345 18716 5021 1 9 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.693 -1.924 18716 5022 1 9 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.526 0.219 18716 5023 1 9 . 1 1 17 17 GLU H H 17 7.571 7.571 8.143 -0.572 18716 5024 1 9 . 1 1 18 18 LYS N N 18 115.790 115.790 118.931 -3.141 18716 5025 1 9 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.197 0.300 18716 5026 1 9 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.989 -2.420 18716 5027 1 9 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.127 0.812 18716 5028 1 9 . 1 1 18 18 LYS H H 18 7.456 7.456 7.271 0.185 18716 5029 1 9 . 1 1 19 19 ILE N N 19 124.228 124.228 119.518 4.710 18716 5030 1 9 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.018 -0.461 18716 5031 1 9 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.692 -0.572 18716 5032 1 9 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.729 0.453 18716 5033 1 9 . 1 1 19 19 ILE H H 19 7.633 7.633 8.065 -0.432 18716 5034 1 9 . 1 1 20 20 ARG N N 20 125.790 125.790 123.988 1.802 18716 5035 1 9 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.443 -0.015 18716 5036 1 9 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.927 1.568 18716 5037 1 9 . 1 1 20 20 ARG CB C 20 31.537 31.537 32.098 -0.561 18716 5038 1 9 . 1 1 20 20 ARG H H 20 8.031 8.031 8.363 -0.332 18716 5039 1 9 . 1 1 21 21 LEU N N 21 120.165 120.165 119.914 0.251 18716 5040 1 9 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.911 -0.480 18716 5041 1 9 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.843 1.392 18716 5042 1 9 . 1 1 21 21 LEU CB C 21 41.554 41.554 42.022 -0.468 18716 5043 1 9 . 1 1 21 21 LEU H H 21 7.810 7.810 7.904 -0.094 18716 5044 1 9 . 1 1 22 22 ARG N N 22 119.540 119.540 115.961 3.579 18716 5045 1 9 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.626 0.219 18716 5046 1 9 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.691 -0.847 18716 5047 1 9 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.227 -0.610 18716 5048 1 9 . 1 1 22 22 ARG H H 22 8.974 8.974 7.645 1.329 18716 5049 1 9 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.371 -0.011 18716 5050 1 9 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.813 -1.377 18716 5051 1 9 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.200 -0.635 18716 5052 1 9 . 1 1 24 24 GLY N N 24 112.665 112.665 107.364 5.301 18716 5053 1 9 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.428 1.377 18716 5054 1 9 . 1 1 24 24 GLY H H 24 9.138 9.138 8.071 1.067 18716 5055 1 9 . 1 1 25 25 GLY N N 25 107.978 107.978 107.649 0.329 18716 5056 1 9 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.439 0.133 18716 5057 1 9 . 1 1 25 25 GLY H H 25 8.134 8.134 7.635 0.499 18716 5058 1 9 . 1 1 26 26 LYS N N 26 117.665 117.665 119.324 -1.659 18716 5059 1 9 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.580 -0.316 18716 5060 1 9 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.080 0.773 18716 5061 1 9 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.468 1.588 18716 5062 1 9 . 1 1 26 26 LYS H H 26 8.665 8.665 8.300 0.365 18716 5063 1 9 . 1 1 27 27 LYS N N 27 117.925 117.925 119.307 -1.382 18716 5064 1 9 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.551 -0.240 18716 5065 1 9 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.421 1.790 18716 5066 1 9 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.883 -1.005 18716 5067 1 9 . 1 1 27 27 LYS H H 27 7.817 7.817 7.744 0.073 18716 5068 1 9 . 1 1 28 28 GLN N N 28 122.978 122.978 119.880 3.098 18716 5069 1 9 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.338 0.478 18716 5070 1 9 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.944 -0.471 18716 5071 1 9 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.069 3.985 18716 5072 1 9 . 1 1 28 28 GLN H H 28 8.458 8.458 8.425 0.033 18716 5073 1 9 . 1 1 29 29 TYR N N 29 119.540 119.540 119.336 0.204 18716 5074 1 9 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.485 -0.753 18716 5075 1 9 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.809 2.201 18716 5076 1 9 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.495 -2.279 18716 5077 1 9 . 1 1 29 29 TYR H H 29 7.824 7.824 8.501 -0.677 18716 5078 1 9 . 1 1 30 30 LYS N N 30 117.978 117.978 120.433 -2.455 18716 5079 1 9 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.897 0.319 18716 5080 1 9 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.575 -0.510 18716 5081 1 9 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.300 2.288 18716 5082 1 9 . 1 1 30 30 LYS H H 30 10.610 10.610 9.277 1.333 18716 5083 1 9 . 1 1 31 31 LEU N N 31 128.602 128.602 124.273 4.329 18716 5084 1 9 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.150 0.031 18716 5085 1 9 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.343 0.891 18716 5086 1 9 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.340 -0.338 18716 5087 1 9 . 1 1 31 31 LEU H H 31 9.991 9.991 9.156 0.835 18716 5088 1 9 . 1 1 32 32 LYS N N 32 115.165 115.165 118.489 -3.324 18716 5089 1 9 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.949 0.196 18716 5090 1 9 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.420 -0.323 18716 5091 1 9 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.940 -0.381 18716 5092 1 9 . 1 1 32 32 LYS H H 32 8.399 8.399 8.657 -0.258 18716 5093 1 9 . 1 1 33 33 HIS N N 33 119.540 119.540 116.980 2.560 18716 5094 1 9 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.716 -0.112 18716 5095 1 9 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.508 3.383 18716 5096 1 9 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.562 2.222 18716 5097 1 9 . 1 1 33 33 HIS H H 33 8.193 8.193 8.075 0.118 18716 5098 1 9 . 1 1 34 34 ILE N N 34 119.540 119.540 120.916 -1.376 18716 5099 1 9 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.879 -0.085 18716 5100 1 9 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.865 -1.017 18716 5101 1 9 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.739 -0.760 18716 5102 1 9 . 1 1 34 34 ILE H H 34 7.898 7.898 7.579 0.319 18716 5103 1 9 . 1 1 35 35 VAL N N 35 122.040 122.040 119.384 2.656 18716 5104 1 9 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.712 -0.100 18716 5105 1 9 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.747 -0.001 18716 5106 1 9 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.684 0.458 18716 5107 1 9 . 1 1 35 35 VAL H H 35 7.706 7.706 8.515 -0.809 18716 5108 1 9 . 1 1 36 36 TRP N N 36 119.986 119.986 121.750 -1.764 18716 5109 1 9 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.214 0.019 18716 5110 1 9 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.923 0.187 18716 5111 1 9 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.503 -1.091 18716 5112 1 9 . 1 1 36 36 TRP H H 36 8.452 8.452 7.686 0.766 18716 5113 1 9 . 1 1 37 37 ALA N N 37 120.478 120.478 120.642 -0.164 18716 5114 1 9 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.592 -0.200 18716 5115 1 9 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.257 -0.120 18716 5116 1 9 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.176 -0.746 18716 5117 1 9 . 1 1 37 37 ALA H H 37 8.311 8.311 8.246 0.065 18716 5118 1 9 . 1 1 38 38 SER N N 38 111.415 111.415 114.520 -3.105 18716 5119 1 9 . 1 1 38 38 SER HA H 38 3.906 3.906 4.060 -0.154 18716 5120 1 9 . 1 1 38 38 SER CA C 38 62.801 62.801 62.417 0.384 18716 5121 1 9 . 1 1 38 38 SER CB C 38 62.829 62.829 62.731 0.098 18716 5122 1 9 . 1 1 38 38 SER H H 38 8.259 8.259 7.753 0.506 18716 5123 1 9 . 1 1 39 39 ARG N N 39 119.852 119.852 121.706 -1.854 18716 5124 1 9 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.927 0.219 18716 5125 1 9 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.151 -0.741 18716 5126 1 9 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.166 -0.158 18716 5127 1 9 . 1 1 39 39 ARG H H 39 7.559 7.559 7.435 0.124 18716 5128 1 9 . 1 1 40 40 GLU N N 40 121.102 121.102 119.272 1.830 18716 5129 1 9 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.793 -0.006 18716 5130 1 9 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.634 -0.353 18716 5131 1 9 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.875 0.799 18716 5132 1 9 . 1 1 40 40 GLU H H 40 8.222 8.222 7.298 0.924 18716 5133 1 9 . 1 1 41 41 LEU N N 41 117.040 117.040 120.474 -3.434 18716 5134 1 9 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.004 -0.044 18716 5135 1 9 . 1 1 41 41 LEU CA C 41 58.297 58.297 58.347 -0.050 18716 5136 1 9 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.917 -1.738 18716 5137 1 9 . 1 1 41 41 LEU H H 41 8.016 8.016 8.437 -0.421 18716 5138 1 9 . 1 1 42 42 GLU N N 42 117.352 117.352 117.323 0.029 18716 5139 1 9 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.126 0.001 18716 5140 1 9 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.237 0.334 18716 5141 1 9 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.280 0.385 18716 5142 1 9 . 1 1 42 42 GLU H H 42 7.559 7.559 7.838 -0.279 18716 5143 1 9 . 1 1 43 43 ARG N N 43 119.540 119.540 119.313 0.227 18716 5144 1 9 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.008 0.019 18716 5145 1 9 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.003 0.598 18716 5146 1 9 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.996 -0.331 18716 5147 1 9 . 1 1 43 43 ARG H H 43 7.647 7.647 7.274 0.373 18716 5148 1 9 . 1 1 44 44 PHE N N 44 117.665 117.665 118.320 -0.655 18716 5149 1 9 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.644 -0.028 18716 5150 1 9 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.801 0.624 18716 5151 1 9 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.105 1.050 18716 5152 1 9 . 1 1 44 44 PHE H H 44 7.529 7.529 7.570 -0.041 18716 5153 1 9 . 1 1 45 45 ALA N N 45 118.915 118.915 119.181 -0.266 18716 5154 1 9 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.931 0.084 18716 5155 1 9 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.240 0.174 18716 5156 1 9 . 1 1 45 45 ALA CB C 45 16.281 16.281 16.820 -0.539 18716 5157 1 9 . 1 1 45 45 ALA H H 45 7.928 7.928 7.651 0.277 18716 5158 1 9 . 1 1 46 46 VAL N N 46 119.540 119.540 118.455 1.085 18716 5159 1 9 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.175 -0.080 18716 5160 1 9 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.937 -0.148 18716 5161 1 9 . 1 1 46 46 VAL CB C 46 33.420 33.420 34.025 -0.605 18716 5162 1 9 . 1 1 46 46 VAL H H 46 7.765 7.765 7.746 0.019 18716 5163 1 9 . 1 1 47 47 ASN N N 47 125.790 125.790 125.951 -0.161 18716 5164 1 9 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.803 -0.157 18716 5165 1 9 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.143 -1.146 18716 5166 1 9 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.920 0.165 18716 5167 1 9 . 1 1 47 47 ASN H H 47 8.399 8.399 8.795 -0.396 18716 5168 1 9 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.401 -0.179 18716 5169 1 9 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.361 -0.047 18716 5170 1 9 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.980 -0.240 18716 5171 1 9 . 1 1 49 49 GLY N N 49 108.290 108.290 107.126 1.164 18716 5172 1 9 . 1 1 49 49 GLY CA C 49 46.530 46.530 45.313 1.217 18716 5173 1 9 . 1 1 49 49 GLY H H 49 8.620 8.620 8.422 0.198 18716 5174 1 9 . 1 1 50 50 LEU N N 50 121.728 121.728 119.493 2.235 18716 5175 1 9 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.474 -0.337 18716 5176 1 9 . 1 1 50 50 LEU CA C 50 57.299 57.299 55.127 2.172 18716 5177 1 9 . 1 1 50 50 LEU CB C 50 41.563 41.563 42.554 -0.991 18716 5178 1 9 . 1 1 50 50 LEU H H 50 7.765 7.765 7.349 0.416 18716 5179 1 9 . 1 1 51 51 LEU N N 51 112.040 112.040 119.744 -7.704 18716 5180 1 9 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.146 0.080 18716 5181 1 9 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.236 -0.729 18716 5182 1 9 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.827 0.663 18716 5183 1 9 . 1 1 51 51 LEU H H 51 7.412 7.412 7.505 -0.093 18716 5184 1 9 . 1 1 52 52 GLU N N 52 114.540 114.540 114.118 0.422 18716 5185 1 9 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.183 -0.128 18716 5186 1 9 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.855 1.529 18716 5187 1 9 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.210 1.848 18716 5188 1 9 . 1 1 52 52 GLU H H 52 7.500 7.500 8.611 -1.111 18716 5189 1 9 . 1 1 53 53 THR N N 53 122.978 122.978 110.988 11.990 18716 5190 1 9 . 1 1 53 53 THR HA H 53 4.402 4.402 4.534 -0.132 18716 5191 1 9 . 1 1 53 53 THR CA C 53 58.306 58.306 59.674 -1.368 18716 5192 1 9 . 1 1 53 53 THR CB C 53 73.222 73.222 71.741 1.481 18716 5193 1 9 . 1 1 53 53 THR H H 53 7.235 7.235 7.470 -0.235 18716 5194 1 9 . 1 1 54 54 SER N N 54 119.228 119.228 120.838 -1.610 18716 5195 1 9 . 1 1 54 54 SER HA H 54 4.043 4.043 4.225 -0.182 18716 5196 1 9 . 1 1 54 54 SER CA C 54 62.657 62.657 61.395 1.262 18716 5197 1 9 . 1 1 54 54 SER CB C 54 62.562 62.562 62.850 -0.288 18716 5198 1 9 . 1 1 54 54 SER H H 54 9.313 9.313 8.988 0.325 18716 5199 1 9 . 1 1 55 55 GLU N N 55 121.233 121.233 120.675 0.558 18716 5200 1 9 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.387 -0.318 18716 5201 1 9 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.493 1.182 18716 5202 1 9 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.395 -0.396 18716 5203 1 9 . 1 1 55 55 GLU H H 55 8.975 8.975 8.640 0.335 18716 5204 1 9 . 1 1 56 56 GLY N N 56 110.790 110.790 108.305 2.485 18716 5205 1 9 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.388 0.478 18716 5206 1 9 . 1 1 56 56 GLY H H 56 8.517 8.517 8.236 0.281 18716 5207 1 9 . 1 1 57 57 CYS N N 57 118.602 118.602 119.762 -1.160 18716 5208 1 9 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.118 -0.094 18716 5209 1 9 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.426 1.176 18716 5210 1 9 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.624 20.171 18716 5211 1 9 . 1 1 57 57 CYS H H 57 8.134 8.134 7.921 0.213 18716 5212 1 9 . 1 1 58 58 ARG N N 58 119.540 119.540 120.428 -0.888 18716 5213 1 9 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.621 -0.071 18716 5214 1 9 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.610 0.097 18716 5215 1 9 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.828 -0.379 18716 5216 1 9 . 1 1 58 58 ARG H H 58 8.488 8.488 7.681 0.807 18716 5217 1 9 . 1 1 59 59 GLN N N 59 119.852 119.852 117.503 2.349 18716 5218 1 9 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.057 -0.005 18716 5219 1 9 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.773 0.627 18716 5220 1 9 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.581 -0.347 18716 5221 1 9 . 1 1 59 59 GLN H H 59 8.016 8.016 7.676 0.341 18716 5222 1 9 . 1 1 60 60 ILE N N 60 120.790 120.790 120.556 0.234 18716 5223 1 9 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.723 -0.111 18716 5224 1 9 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.115 0.536 18716 5225 1 9 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.989 -0.139 18716 5226 1 9 . 1 1 60 60 ILE H H 60 8.163 8.163 7.409 0.754 18716 5227 1 9 . 1 1 61 61 LEU N N 61 118.915 118.915 119.628 -0.713 18716 5228 1 9 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.097 -0.202 18716 5229 1 9 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.629 1.025 18716 5230 1 9 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.283 -0.507 18716 5231 1 9 . 1 1 61 61 LEU H H 61 8.370 8.370 8.653 -0.283 18716 5232 1 9 . 1 1 62 62 GLY N N 62 104.332 104.332 107.352 -3.020 18716 5233 1 9 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.847 0.336 18716 5234 1 9 . 1 1 62 62 GLY H H 62 7.883 7.883 8.241 -0.358 18716 5235 1 9 . 1 1 63 63 GLN N N 63 119.852 119.852 119.782 0.070 18716 5236 1 9 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.242 -0.094 18716 5237 1 9 . 1 1 63 63 GLN CA C 63 57.873 57.873 58.055 -0.182 18716 5238 1 9 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.141 -0.026 18716 5239 1 9 . 1 1 63 63 GLN H H 63 7.795 7.795 7.595 0.200 18716 5240 1 9 . 1 1 64 64 LEU N N 64 117.040 117.040 119.881 -2.841 18716 5241 1 9 . 1 1 64 64 LEU HA H 64 4.258 4.258 3.981 0.277 18716 5242 1 9 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.740 -0.557 18716 5243 1 9 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.699 2.499 18716 5244 1 9 . 1 1 64 64 LEU H H 64 8.252 8.252 7.818 0.434 18716 5245 1 9 . 1 1 65 65 GLN N N 65 118.915 118.915 119.736 -0.821 18716 5246 1 9 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.854 -0.075 18716 5247 1 9 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.910 0.637 18716 5248 1 9 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.880 -1.016 18716 5249 1 9 . 1 1 65 65 GLN H H 65 8.104 8.104 8.146 -0.042 18716 5250 1 9 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.326 0.057 18716 5251 1 9 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.934 0.982 18716 5252 1 9 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.198 -0.099 18716 5253 1 9 . 1 1 67 67 SER N N 67 111.415 111.415 113.594 -2.179 18716 5254 1 9 . 1 1 67 67 SER HA H 67 4.493 4.493 4.339 0.154 18716 5255 1 9 . 1 1 67 67 SER CA C 67 59.696 59.696 60.089 -0.393 18716 5256 1 9 . 1 1 67 67 SER CB C 67 64.031 64.031 63.095 0.936 18716 5257 1 9 . 1 1 67 67 SER H H 67 7.824 7.824 7.375 0.449 18716 5258 1 9 . 1 1 68 68 LEU N N 68 121.102 121.102 122.238 -1.136 18716 5259 1 9 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.806 0.010 18716 5260 1 9 . 1 1 68 68 LEU CA C 68 57.948 57.948 58.071 -0.123 18716 5261 1 9 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.273 0.496 18716 5262 1 9 . 1 1 68 68 LEU H H 68 7.647 7.647 7.941 -0.294 18716 5263 1 9 . 1 1 69 69 GLN N N 69 116.415 116.415 118.688 -2.273 18716 5264 1 9 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.087 -0.018 18716 5265 1 9 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.427 0.043 18716 5266 1 9 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.868 -0.440 18716 5267 1 9 . 1 1 69 69 GLN H H 69 8.060 8.060 8.300 -0.240 18716 5268 1 9 . 1 1 70 70 THR N N 70 106.728 106.728 110.642 -3.914 18716 5269 1 9 . 1 1 70 70 THR HA H 70 4.481 4.481 4.561 -0.080 18716 5270 1 9 . 1 1 70 70 THR CA C 70 61.291 61.291 60.477 0.814 18716 5271 1 9 . 1 1 70 70 THR CB C 70 69.415 69.415 68.880 0.535 18716 5272 1 9 . 1 1 70 70 THR H H 70 7.515 7.515 7.702 -0.187 18716 5273 1 9 . 1 1 71 71 GLY N N 71 109.540 109.540 109.389 0.151 18716 5274 1 9 . 1 1 71 71 GLY CA C 71 45.553 45.553 43.837 1.716 18716 5275 1 9 . 1 1 71 71 GLY H H 71 7.692 7.692 7.368 0.324 18716 5276 1 9 . 1 1 72 72 SER N N 72 114.540 114.540 114.856 -0.316 18716 5277 1 9 . 1 1 72 72 SER HA H 72 4.625 4.625 4.850 -0.225 18716 5278 1 9 . 1 1 72 72 SER CA C 72 57.319 57.319 57.236 0.083 18716 5279 1 9 . 1 1 72 72 SER CB C 72 64.599 64.599 66.013 -1.414 18716 5280 1 9 . 1 1 72 72 SER H H 72 8.045 8.045 8.109 -0.064 18716 5281 1 9 . 1 1 73 73 GLU N N 73 124.228 124.228 121.161 3.067 18716 5282 1 9 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.042 0.045 18716 5283 1 9 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.302 -0.922 18716 5284 1 9 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.575 -0.273 18716 5285 1 9 . 1 1 73 73 GLU H H 73 9.092 9.092 8.975 0.117 18716 5286 1 9 . 1 1 74 74 GLU N N 74 120.165 120.165 119.522 0.643 18716 5287 1 9 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.275 -0.017 18716 5288 1 9 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.429 0.876 18716 5289 1 9 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.736 -0.274 18716 5290 1 9 . 1 1 74 74 GLU H H 74 8.665 8.665 7.816 0.849 18716 5291 1 9 . 1 1 75 75 LEU N N 75 121.415 121.415 120.233 1.182 18716 5292 1 9 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.187 -0.004 18716 5293 1 9 . 1 1 75 75 LEU CA C 75 57.932 57.932 57.423 0.509 18716 5294 1 9 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.052 -0.874 18716 5295 1 9 . 1 1 75 75 LEU H H 75 7.765 7.765 7.798 -0.033 18716 5296 1 9 . 1 1 76 76 ARG N N 76 119.228 119.228 120.063 -0.835 18716 5297 1 9 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.988 -0.055 18716 5298 1 9 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.243 -0.562 18716 5299 1 9 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.347 -1.150 18716 5300 1 9 . 1 1 76 76 ARG H H 76 7.868 7.868 8.187 -0.319 18716 5301 1 9 . 1 1 77 77 SER N N 77 114.228 114.228 116.206 -1.978 18716 5302 1 9 . 1 1 77 77 SER HA H 77 4.263 4.263 4.127 0.136 18716 5303 1 9 . 1 1 77 77 SER CA C 77 62.668 62.668 62.211 0.457 18716 5304 1 9 . 1 1 77 77 SER CB C 77 62.849 62.849 63.160 -0.311 18716 5305 1 9 . 1 1 77 77 SER H H 77 8.576 8.576 8.427 0.149 18716 5306 1 9 . 1 1 78 78 LEU N N 78 125.790 125.790 122.952 2.838 18716 5307 1 9 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.305 0.116 18716 5308 1 9 . 1 1 78 78 LEU CA C 78 58.962 58.962 57.996 0.966 18716 5309 1 9 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.281 0.637 18716 5310 1 9 . 1 1 78 78 LEU H H 78 8.458 8.458 7.745 0.713 18716 5311 1 9 . 1 1 79 79 TYR N N 79 119.852 119.852 119.248 0.604 18716 5312 1 9 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.015 -0.354 18716 5313 1 9 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.941 0.861 18716 5314 1 9 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.087 1.107 18716 5315 1 9 . 1 1 79 79 TYR H H 79 8.694 8.694 8.170 0.524 18716 5316 1 9 . 1 1 80 80 ASN N N 80 117.040 117.040 117.843 -0.803 18716 5317 1 9 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.495 -0.211 18716 5318 1 9 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.712 -0.925 18716 5319 1 9 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.303 -0.464 18716 5320 1 9 . 1 1 80 80 ASN H H 80 8.871 8.871 8.027 0.844 18716 5321 1 9 . 1 1 81 81 THR N N 81 115.790 115.790 118.633 -2.843 18716 5322 1 9 . 1 1 81 81 THR HA H 81 3.945 3.945 4.202 -0.257 18716 5323 1 9 . 1 1 81 81 THR CA C 81 67.855 67.855 67.751 0.104 18716 5324 1 9 . 1 1 81 81 THR CB C 81 69.140 69.140 69.051 0.089 18716 5325 1 9 . 1 1 81 81 THR H H 81 8.119 8.119 8.182 -0.063 18716 5326 1 9 . 1 1 82 82 ILE N N 82 121.102 121.102 121.110 -0.008 18716 5327 1 9 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.747 -0.079 18716 5328 1 9 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.571 -1.051 18716 5329 1 9 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.394 -0.908 18716 5330 1 9 . 1 1 82 82 ILE H H 82 8.090 8.090 8.695 -0.605 18716 5331 1 9 . 1 1 83 83 ALA N N 83 125.165 125.165 123.273 1.892 18716 5332 1 9 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.899 -0.008 18716 5333 1 9 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.321 0.534 18716 5334 1 9 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.912 -0.071 18716 5335 1 9 . 1 1 83 83 ALA H H 83 8.782 8.782 7.409 1.373 18716 5336 1 9 . 1 1 84 84 VAL N N 84 117.665 117.665 119.186 -1.521 18716 5337 1 9 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.601 -0.273 18716 5338 1 9 . 1 1 84 84 VAL CA C 84 67.465 67.465 67.014 0.451 18716 5339 1 9 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.141 -0.446 18716 5340 1 9 . 1 1 84 84 VAL H H 84 7.795 7.795 7.600 0.195 18716 5341 1 9 . 1 1 85 85 LEU N N 85 122.040 122.040 120.374 1.666 18716 5342 1 9 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.954 -0.139 18716 5343 1 9 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.532 -0.222 18716 5344 1 9 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.947 0.201 18716 5345 1 9 . 1 1 85 85 LEU H H 85 8.163 8.163 8.138 0.025 18716 5346 1 9 . 1 1 86 86 TYR N N 86 118.915 118.915 120.196 -1.281 18716 5347 1 9 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.015 -0.103 18716 5348 1 9 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.523 1.295 18716 5349 1 9 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.096 0.191 18716 5350 1 9 . 1 1 86 86 TYR H H 86 9.062 9.062 8.394 0.668 18716 5351 1 9 . 1 1 87 87 CYS N N 87 116.102 116.102 116.714 -0.612 18716 5352 1 9 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.761 0.033 18716 5353 1 9 . 1 1 87 87 CYS CA C 87 65.966 65.966 65.132 0.834 18716 5354 1 9 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.973 19.584 18716 5355 1 9 . 1 1 87 87 CYS H H 87 7.515 7.515 8.525 -1.010 18716 5356 1 9 . 1 1 88 88 VAL N N 88 119.978 119.978 119.198 0.780 18716 5357 1 9 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.826 0.052 18716 5358 1 9 . 1 1 88 88 VAL CA C 88 66.421 66.421 66.321 0.100 18716 5359 1 9 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.691 -0.104 18716 5360 1 9 . 1 1 88 88 VAL H H 88 8.429 8.429 7.298 1.131 18716 5361 1 9 . 1 1 89 89 HIS N N 89 118.915 118.915 114.587 4.328 18716 5362 1 9 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.493 0.382 18716 5363 1 9 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.330 0.790 18716 5364 1 9 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.246 -0.163 18716 5365 1 9 . 1 1 89 89 HIS H H 89 8.797 8.797 7.231 1.566 18716 5366 1 9 . 1 1 90 90 GLN N N 90 116.728 116.728 118.056 -1.328 18716 5367 1 9 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.226 0.159 18716 5368 1 9 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.635 0.654 18716 5369 1 9 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.720 2.232 18716 5370 1 9 . 1 1 90 90 GLN H H 90 7.986 7.986 7.213 0.773 18716 5371 1 9 . 1 1 91 91 ARG N N 91 115.165 115.165 117.676 -2.511 18716 5372 1 9 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.912 0.101 18716 5373 1 9 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.170 0.013 18716 5374 1 9 . 1 1 91 91 ARG CB C 91 26.049 26.049 27.897 -1.848 18716 5375 1 9 . 1 1 91 91 ARG H H 91 7.883 7.883 7.623 0.260 18716 5376 1 9 . 1 1 92 92 ILE N N 92 120.087 120.087 120.368 -0.281 18716 5377 1 9 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.208 -0.223 18716 5378 1 9 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.448 0.208 18716 5379 1 9 . 1 1 92 92 ILE CB C 92 38.930 38.930 39.526 -0.596 18716 5380 1 9 . 1 1 92 92 ILE H H 92 8.335 8.335 8.076 0.259 18716 5381 1 9 . 1 1 93 93 ASP N N 93 129.228 129.228 129.010 0.218 18716 5382 1 9 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.828 -0.343 18716 5383 1 9 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.031 3.012 18716 5384 1 9 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.236 0.160 18716 5385 1 9 . 1 1 93 93 ASP H H 93 8.620 8.620 8.596 0.024 18716 5386 1 9 . 1 1 94 94 VAL N N 94 115.790 115.790 119.952 -4.162 18716 5387 1 9 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.224 0.408 18716 5388 1 9 . 1 1 94 94 VAL CA C 94 59.120 59.120 60.511 -1.391 18716 5389 1 9 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.542 2.970 18716 5390 1 9 . 1 1 94 94 VAL H H 94 7.751 7.751 7.732 0.019 18716 5391 1 9 . 1 1 95 95 LYS N N 95 118.915 118.915 117.250 1.665 18716 5392 1 9 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.426 -0.033 18716 5393 1 9 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.341 -0.670 18716 5394 1 9 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.647 0.361 18716 5395 1 9 . 1 1 95 95 LYS H H 95 9.239 9.239 8.384 0.855 18716 5396 1 9 . 1 1 96 96 ASP N N 96 112.040 112.040 114.880 -2.840 18716 5397 1 9 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.398 0.164 18716 5398 1 9 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.483 0.345 18716 5399 1 9 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.894 0.710 18716 5400 1 9 . 1 1 96 96 ASP H H 96 7.412 7.412 7.680 -0.268 18716 5401 1 9 . 1 1 97 97 THR N N 97 109.540 109.540 115.238 -5.698 18716 5402 1 9 . 1 1 97 97 THR HA H 97 3.661 3.661 4.078 -0.417 18716 5403 1 9 . 1 1 97 97 THR CA C 97 65.947 65.947 65.885 0.062 18716 5404 1 9 . 1 1 97 97 THR CB C 97 70.285 70.285 68.745 1.540 18716 5405 1 9 . 1 1 97 97 THR H H 97 7.250 7.250 8.406 -1.156 18716 5406 1 9 . 1 1 98 98 LYS N N 98 121.102 121.102 122.049 -0.947 18716 5407 1 9 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.963 -0.018 18716 5408 1 9 . 1 1 98 98 LYS CA C 98 59.628 59.628 60.004 -0.376 18716 5409 1 9 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.038 -0.111 18716 5410 1 9 . 1 1 98 98 LYS H H 98 7.868 7.868 8.243 -0.375 18716 5411 1 9 . 1 1 99 99 GLU N N 99 119.228 119.228 118.820 0.408 18716 5412 1 9 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.006 0.071 18716 5413 1 9 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.310 0.484 18716 5414 1 9 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.608 0.638 18716 5415 1 9 . 1 1 99 99 GLU H H 99 8.384 8.384 8.534 -0.150 18716 5416 1 9 . 1 1 100 100 ALA N N 100 118.915 118.915 123.044 -4.129 18716 5417 1 9 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.020 0.366 18716 5418 1 9 . 1 1 100 100 ALA CA C 100 55.396 55.396 55.141 0.255 18716 5419 1 9 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.290 1.469 18716 5420 1 9 . 1 1 100 100 ALA H H 100 7.382 7.382 7.605 -0.223 18716 5421 1 9 . 1 1 101 101 LEU N N 101 117.978 117.978 118.417 -0.439 18716 5422 1 9 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.985 0.035 18716 5423 1 9 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.961 0.014 18716 5424 1 9 . 1 1 101 101 LEU CB C 101 41.493 41.493 40.849 0.644 18716 5425 1 9 . 1 1 101 101 LEU H H 101 8.119 8.119 7.934 0.185 18716 5426 1 9 . 1 1 102 102 ASP N N 102 120.478 120.478 117.470 3.008 18716 5427 1 9 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.473 -0.106 18716 5428 1 9 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.367 -0.015 18716 5429 1 9 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.360 -0.638 18716 5430 1 9 . 1 1 102 102 ASP H H 102 8.679 8.679 7.942 0.737 18716 5431 1 9 . 1 1 103 103 LYS N N 103 120.165 120.165 120.365 -0.200 18716 5432 1 9 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.121 0.043 18716 5433 1 9 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.149 -0.785 18716 5434 1 9 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.623 -1.091 18716 5435 1 9 . 1 1 103 103 LYS H H 103 8.207 8.207 7.500 0.707 18716 5436 1 9 . 1 1 104 104 ILE N N 104 119.852 119.852 120.103 -0.251 18716 5437 1 9 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.748 0.062 18716 5438 1 9 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.647 -1.039 18716 5439 1 9 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.973 -0.539 18716 5440 1 9 . 1 1 104 104 ILE H H 104 8.163 8.163 8.279 -0.116 18716 5441 1 9 . 1 1 105 105 GLU N N 105 121.415 121.415 119.969 1.446 18716 5442 1 9 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.888 0.147 18716 5443 1 9 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.908 -0.274 18716 5444 1 9 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.435 3.321 18716 5445 1 9 . 1 1 105 105 GLU H H 105 8.001 8.001 8.117 -0.116 18716 5446 1 9 . 1 1 106 106 GLU N N 106 119.228 119.228 118.515 0.713 18716 5447 1 9 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.107 -0.017 18716 5448 1 9 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.254 0.013 18716 5449 1 9 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.500 0.097 18716 5450 1 9 . 1 1 106 106 GLU H H 106 8.031 8.031 7.546 0.485 18716 5451 1 9 . 1 1 107 107 GLU N N 107 118.915 118.915 119.797 -0.882 18716 5452 1 9 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.105 -0.032 18716 5453 1 9 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.222 0.119 18716 5454 1 9 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.634 0.237 18716 5455 1 9 . 1 1 107 107 GLU H H 107 8.016 8.016 7.563 0.453 18716 5456 1 9 . 1 1 108 108 GLN N N 108 118.290 118.290 117.885 0.405 18716 5457 1 9 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.112 0.035 18716 5458 1 9 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.385 0.022 18716 5459 1 9 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.549 0.296 18716 5460 1 9 . 1 1 108 108 GLN H H 108 8.252 8.252 8.131 0.121 18716 5461 1 9 . 1 1 109 109 ASN N N 109 118.290 118.290 118.486 -0.196 18716 5462 1 9 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.420 0.197 18716 5463 1 9 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.323 -1.441 18716 5464 1 9 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.262 0.263 18716 5465 1 9 . 1 1 109 109 ASN H H 109 8.252 8.252 7.893 0.359 18716 5466 1 9 . 1 1 110 110 LYS N N 110 120.478 120.478 117.885 2.593 18716 5467 1 9 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.097 0.133 18716 5468 1 9 . 1 1 110 110 LYS CA C 110 58.311 58.311 58.921 -0.610 18716 5469 1 9 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.111 0.580 18716 5470 1 9 . 1 1 110 110 LYS H H 110 8.031 8.031 7.685 0.346 18716 5471 1 9 . 1 1 111 111 SER N N 111 114.540 114.540 114.892 -0.352 18716 5472 1 9 . 1 1 111 111 SER HA H 111 4.368 4.368 4.352 0.016 18716 5473 1 9 . 1 1 111 111 SER CA C 111 59.764 59.764 61.127 -1.363 18716 5474 1 9 . 1 1 111 111 SER CB C 111 63.442 63.442 63.406 0.036 18716 5475 1 9 . 1 1 111 111 SER H H 111 8.031 8.031 7.652 0.379 18716 5476 1 9 . 1 1 112 112 LYS N N 112 122.040 122.040 122.951 -0.911 18716 5477 1 9 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.014 0.231 18716 5478 1 9 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.528 -2.199 18716 5479 1 9 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.187 0.588 18716 5480 1 9 . 1 1 112 112 LYS H H 112 7.957 7.957 8.426 -0.469 18716 5481 1 9 . 1 1 113 113 LYS N N 113 120.790 120.790 118.338 2.452 18716 5482 1 9 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.073 0.077 18716 5483 1 9 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.638 0.496 18716 5484 1 9 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.478 0.288 18716 5485 1 9 . 1 1 113 113 LYS H H 113 8.016 8.016 7.696 0.320 18716 5486 1 9 . 1 1 114 114 LYS N N 114 121.728 121.728 116.907 4.821 18716 5487 1 9 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.426 -0.163 18716 5488 1 9 . 1 1 114 114 LYS CA C 114 57.185 57.185 55.238 1.947 18716 5489 1 9 . 1 1 114 114 LYS CB C 114 32.857 32.857 31.792 1.065 18716 5490 1 9 . 1 1 114 114 LYS H H 114 8.119 8.119 7.634 0.485 18716 5491 1 9 . 1 1 115 115 ALA N N 115 124.228 124.228 122.064 2.164 18716 5492 1 9 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.497 -0.229 18716 5493 1 9 . 1 1 115 115 ALA CA C 115 53.035 53.035 53.470 -0.435 18716 5494 1 9 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.775 -0.737 18716 5495 1 9 . 1 1 115 115 ALA H H 115 8.178 8.178 8.113 0.065 18716 5496 1 9 . 1 1 116 116 GLN N N 116 119.228 119.228 118.955 0.273 18716 5497 1 9 . 1 1 116 116 GLN HA H 116 4.248 4.248 3.952 0.296 18716 5498 1 9 . 1 1 116 116 GLN CA C 116 56.549 56.549 58.921 -2.372 18716 5499 1 9 . 1 1 116 116 GLN H H 116 8.237 8.237 8.293 -0.056 18716 5500 1 9 . 1 1 117 117 GLN N N 117 120.478 120.478 118.642 1.836 18716 5501 1 9 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.007 0.262 18716 5502 1 9 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.836 -2.512 18716 5503 1 9 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.527 1.079 18716 5504 1 9 . 1 1 117 117 GLN H H 117 8.266 8.266 8.365 -0.099 18716 5505 1 9 . 1 1 118 118 ALA N N 118 124.852 124.852 120.912 3.940 18716 5506 1 9 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.170 0.106 18716 5507 1 9 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.895 -1.058 18716 5508 1 9 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.530 0.532 18716 5509 1 9 . 1 1 118 118 ALA H H 118 8.266 8.266 7.566 0.700 18716 5510 1 9 . 1 1 119 119 ALA N N 119 122.978 122.978 119.646 3.332 18716 5511 1 9 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.276 0.018 18716 5512 1 9 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.097 0.540 18716 5513 1 9 . 1 1 119 119 ALA CB C 119 19.201 19.201 17.048 2.153 18716 5514 1 9 . 1 1 119 119 ALA H H 119 8.163 8.163 7.433 0.730 18716 5515 1 9 . 1 1 120 120 ALA N N 120 122.665 122.665 124.439 -1.774 18716 5516 1 9 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.289 -0.012 18716 5517 1 9 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.576 0.160 18716 5518 1 9 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.694 -0.527 18716 5519 1 9 . 1 1 120 120 ALA H H 120 8.163 8.163 7.890 0.273 18716 5520 1 9 . 1 1 121 121 ASP N N 121 119.228 119.228 122.391 -3.163 18716 5521 1 9 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.722 -0.040 18716 5522 1 9 . 1 1 121 121 ASP CA C 121 54.264 54.264 55.197 -0.933 18716 5523 1 9 . 1 1 121 121 ASP CB C 121 41.128 41.128 38.966 2.162 18716 5524 1 9 . 1 1 121 121 ASP H H 121 8.252 8.252 8.372 -0.120 18716 5525 1 9 . 1 1 122 122 THR N N 122 113.602 113.602 113.740 -0.138 18716 5526 1 9 . 1 1 122 122 THR HA H 122 4.358 4.358 4.414 -0.056 18716 5527 1 9 . 1 1 122 122 THR CA C 122 61.971 61.971 61.118 0.853 18716 5528 1 9 . 1 1 122 122 THR CB C 122 69.586 69.586 70.579 -0.993 18716 5529 1 9 . 1 1 122 122 THR H H 122 8.075 8.075 7.748 0.327 18716 5530 1 9 . 1 1 123 123 GLY N N 123 110.478 110.478 111.227 -0.749 18716 5531 1 9 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.028 0.575 18716 5532 1 9 . 1 1 123 123 GLY H H 123 8.414 8.414 8.495 -0.081 18716 5533 1 9 . 1 1 124 124 ASN N N 124 118.602 118.602 121.323 -2.721 18716 5534 1 9 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.726 -0.118 18716 5535 1 9 . 1 1 124 124 ASN CA C 124 54.733 54.733 51.934 2.799 18716 5536 1 9 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.414 -1.876 18716 5537 1 9 . 1 1 124 124 ASN H H 124 8.266 8.266 8.409 -0.143 18716 5538 1 9 . 1 1 125 125 ASN N N 125 119.228 119.228 118.791 0.437 18716 5539 1 9 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.824 -0.100 18716 5540 1 9 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.022 0.431 18716 5541 1 9 . 1 1 125 125 ASN CB C 125 38.813 38.813 37.495 1.318 18716 5542 1 9 . 1 1 125 125 ASN H H 125 8.443 8.443 8.554 -0.111 18716 5543 1 9 . 1 1 126 126 SER N N 126 115.790 115.790 117.190 -1.400 18716 5544 1 9 . 1 1 126 126 SER HA H 126 4.388 4.388 4.625 -0.237 18716 5545 1 9 . 1 1 126 126 SER CA C 126 58.851 58.851 58.580 0.271 18716 5546 1 9 . 1 1 126 126 SER CB C 126 63.926 63.926 63.825 0.101 18716 5547 1 9 . 1 1 126 126 SER H H 126 8.266 8.266 8.145 0.121 18716 5548 1 9 . 1 1 127 127 GLN N N 127 121.728 121.728 123.507 -1.779 18716 5549 1 9 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.549 -0.226 18716 5550 1 9 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.587 0.636 18716 5551 1 9 . 1 1 127 127 GLN CB C 127 29.168 29.168 28.228 0.940 18716 5552 1 9 . 1 1 127 127 GLN H H 127 8.355 8.355 8.489 -0.134 18716 5553 1 9 . 1 1 128 128 VAL N N 128 119.852 119.852 116.175 3.677 18716 5554 1 9 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.411 -0.302 18716 5555 1 9 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.903 0.762 18716 5556 1 9 . 1 1 128 128 VAL CB C 128 32.769 32.769 31.830 0.939 18716 5557 1 9 . 1 1 128 128 VAL H H 128 7.986 7.986 8.001 -0.015 18716 5558 1 9 . 1 1 129 129 SER N N 129 117.978 117.978 116.272 1.706 18716 5559 1 9 . 1 1 129 129 SER HA H 129 4.136 4.136 4.643 -0.507 18716 5560 1 9 . 1 1 129 129 SER CA C 129 58.404 58.404 58.206 0.198 18716 5561 1 9 . 1 1 129 129 SER CB C 129 63.755 63.755 63.865 -0.110 18716 5562 1 9 . 1 1 129 129 SER H H 129 8.252 8.252 8.173 0.079 18716 5563 1 9 . 1 1 130 130 GLN N N 130 121.728 121.728 119.612 2.116 18716 5564 1 9 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.626 -0.271 18716 5565 1 9 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.263 0.887 18716 5566 1 9 . 1 1 130 130 GLN CB C 130 29.373 29.373 30.771 -1.398 18716 5567 1 9 . 1 1 130 130 GLN H H 130 8.355 8.355 8.620 -0.265 18716 5568 1 9 . 1 1 131 131 ASN N N 131 118.290 118.290 119.239 -0.949 18716 5569 1 9 . 1 1 131 131 ASN HA H 131 4.632 4.632 5.048 -0.416 18716 5570 1 9 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.032 0.536 18716 5571 1 9 . 1 1 131 131 ASN H H 131 8.252 8.252 8.831 -0.579 18716 5572 1 10 . 1 1 3 3 ALA N N 3 123.842 123.842 124.408 -0.566 18716 5573 1 10 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.644 -0.316 18716 5574 1 10 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.145 0.392 18716 5575 1 10 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.462 -2.211 18716 5576 1 10 . 1 1 3 3 ALA H H 3 8.183 8.183 7.881 0.302 18716 5577 1 10 . 1 1 4 4 ARG N N 4 120.165 120.165 121.856 -1.691 18716 5578 1 10 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.424 -0.168 18716 5579 1 10 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.456 0.509 18716 5580 1 10 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.361 -0.400 18716 5581 1 10 . 1 1 4 4 ARG H H 4 8.429 8.429 8.245 0.184 18716 5582 1 10 . 1 1 5 5 ALA N N 5 125.165 125.165 126.213 -1.048 18716 5583 1 10 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.404 -0.122 18716 5584 1 10 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.061 0.310 18716 5585 1 10 . 1 1 5 5 ALA CB C 5 19.672 19.672 18.768 0.904 18716 5586 1 10 . 1 1 5 5 ALA H H 5 8.370 8.370 8.485 -0.115 18716 5587 1 10 . 1 1 6 6 SER N N 6 114.540 114.540 120.631 -6.091 18716 5588 1 10 . 1 1 6 6 SER HA H 6 4.479 4.479 4.503 -0.024 18716 5589 1 10 . 1 1 6 6 SER CA C 6 57.804 57.804 58.727 -0.923 18716 5590 1 10 . 1 1 6 6 SER CB C 6 64.034 64.034 64.412 -0.378 18716 5591 1 10 . 1 1 6 6 SER H H 6 8.134 8.134 8.867 -0.733 18716 5592 1 10 . 1 1 7 7 VAL N N 7 121.415 121.415 120.607 0.808 18716 5593 1 10 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.239 -0.622 18716 5594 1 10 . 1 1 7 7 VAL CA C 7 65.711 65.711 61.971 3.740 18716 5595 1 10 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.525 -0.589 18716 5596 1 10 . 1 1 7 7 VAL H H 7 8.119 8.119 8.089 0.030 18716 5597 1 10 . 1 1 8 8 LEU N N 8 115.478 115.478 120.404 -4.926 18716 5598 1 10 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.712 0.202 18716 5599 1 10 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.439 -0.964 18716 5600 1 10 . 1 1 8 8 LEU CB C 8 44.314 44.314 42.548 1.766 18716 5601 1 10 . 1 1 8 8 LEU H H 8 7.382 7.382 7.586 -0.204 18716 5602 1 10 . 1 1 9 9 SER N N 9 118.290 118.290 118.685 -0.395 18716 5603 1 10 . 1 1 9 9 SER HA H 9 4.606 4.606 4.499 0.107 18716 5604 1 10 . 1 1 9 9 SER CA C 9 57.197 57.197 57.621 -0.424 18716 5605 1 10 . 1 1 9 9 SER CB C 9 65.426 65.426 65.049 0.378 18716 5606 1 10 . 1 1 9 9 SER H H 9 9.166 9.166 8.744 0.422 18716 5607 1 10 . 1 1 10 10 GLY N N 10 109.228 109.228 108.687 0.541 18716 5608 1 10 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.946 0.728 18716 5609 1 10 . 1 1 10 10 GLY H H 10 8.959 8.959 8.690 0.269 18716 5610 1 10 . 1 1 11 11 GLY N N 11 111.102 111.102 109.914 1.188 18716 5611 1 10 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.300 0.361 18716 5612 1 10 . 1 1 11 11 GLY H H 11 8.782 8.782 7.834 0.948 18716 5613 1 10 . 1 1 12 12 GLU N N 12 120.165 120.165 122.946 -2.781 18716 5614 1 10 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.068 -0.118 18716 5615 1 10 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.477 0.619 18716 5616 1 10 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.484 1.806 18716 5617 1 10 . 1 1 12 12 GLU H H 12 7.751 7.751 7.622 0.129 18716 5618 1 10 . 1 1 13 13 LEU N N 13 121.415 121.415 121.555 -0.140 18716 5619 1 10 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.033 0.075 18716 5620 1 10 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.328 -0.266 18716 5621 1 10 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.788 -0.852 18716 5622 1 10 . 1 1 13 13 LEU H H 13 8.340 8.340 8.445 -0.105 18716 5623 1 10 . 1 1 14 14 ASP N N 14 116.415 116.415 119.127 -2.712 18716 5624 1 10 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.286 0.107 18716 5625 1 10 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.963 -0.827 18716 5626 1 10 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.811 0.275 18716 5627 1 10 . 1 1 14 14 ASP H H 14 7.574 7.574 7.811 -0.237 18716 5628 1 10 . 1 1 15 15 LYS N N 15 115.478 115.478 120.015 -4.537 18716 5629 1 10 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.073 -0.027 18716 5630 1 10 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.245 -0.843 18716 5631 1 10 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.423 -0.064 18716 5632 1 10 . 1 1 15 15 LYS H H 15 7.117 7.117 7.458 -0.341 18716 5633 1 10 . 1 1 16 16 TRP N N 16 121.693 121.693 121.312 0.381 18716 5634 1 10 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.150 -0.125 18716 5635 1 10 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.572 -0.286 18716 5636 1 10 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.621 1.492 18716 5637 1 10 . 1 1 16 16 TRP H H 16 8.646 8.646 8.522 0.124 18716 5638 1 10 . 1 1 17 17 GLU N N 17 127.710 127.710 116.647 11.063 18716 5639 1 10 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.321 0.370 18716 5640 1 10 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.741 -1.972 18716 5641 1 10 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.480 0.265 18716 5642 1 10 . 1 1 17 17 GLU H H 17 7.571 7.571 8.158 -0.587 18716 5643 1 10 . 1 1 18 18 LYS N N 18 115.790 115.790 119.046 -3.256 18716 5644 1 10 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.192 0.305 18716 5645 1 10 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.888 -2.319 18716 5646 1 10 . 1 1 18 18 LYS CB C 18 33.939 33.939 32.966 0.973 18716 5647 1 10 . 1 1 18 18 LYS H H 18 7.456 7.456 7.219 0.237 18716 5648 1 10 . 1 1 19 19 ILE N N 19 124.228 124.228 119.918 4.310 18716 5649 1 10 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.022 -0.465 18716 5650 1 10 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.735 -0.615 18716 5651 1 10 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.736 0.446 18716 5652 1 10 . 1 1 19 19 ILE H H 19 7.633 7.633 8.021 -0.388 18716 5653 1 10 . 1 1 20 20 ARG N N 20 125.790 125.790 123.605 2.185 18716 5654 1 10 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.485 -0.057 18716 5655 1 10 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.804 1.691 18716 5656 1 10 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.724 -0.187 18716 5657 1 10 . 1 1 20 20 ARG H H 20 8.031 8.031 8.575 -0.544 18716 5658 1 10 . 1 1 21 21 LEU N N 21 120.165 120.165 120.671 -0.506 18716 5659 1 10 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.865 -0.434 18716 5660 1 10 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.465 0.770 18716 5661 1 10 . 1 1 21 21 LEU CB C 21 41.554 41.554 42.041 -0.487 18716 5662 1 10 . 1 1 21 21 LEU H H 21 7.810 7.810 7.895 -0.085 18716 5663 1 10 . 1 1 22 22 ARG N N 22 119.540 119.540 115.377 4.163 18716 5664 1 10 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.650 0.195 18716 5665 1 10 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.570 -0.726 18716 5666 1 10 . 1 1 22 22 ARG CB C 22 31.617 31.617 31.776 -0.158 18716 5667 1 10 . 1 1 22 22 ARG H H 22 8.974 8.974 7.692 1.282 18716 5668 1 10 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.530 -0.170 18716 5669 1 10 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.492 -1.056 18716 5670 1 10 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.239 -0.674 18716 5671 1 10 . 1 1 24 24 GLY N N 24 112.665 112.665 107.212 5.453 18716 5672 1 10 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.442 1.363 18716 5673 1 10 . 1 1 24 24 GLY H H 24 9.138 9.138 8.265 0.873 18716 5674 1 10 . 1 1 25 25 GLY N N 25 107.978 107.978 108.454 -0.476 18716 5675 1 10 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.705 -0.133 18716 5676 1 10 . 1 1 25 25 GLY H H 25 8.134 8.134 7.465 0.669 18716 5677 1 10 . 1 1 26 26 LYS N N 26 117.665 117.665 118.986 -1.321 18716 5678 1 10 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.475 -0.211 18716 5679 1 10 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.472 0.381 18716 5680 1 10 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.639 1.417 18716 5681 1 10 . 1 1 26 26 LYS H H 26 8.665 8.665 8.199 0.466 18716 5682 1 10 . 1 1 27 27 LYS N N 27 117.925 117.925 119.557 -1.632 18716 5683 1 10 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.555 -0.244 18716 5684 1 10 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.755 1.456 18716 5685 1 10 . 1 1 27 27 LYS CB C 27 33.878 33.878 35.219 -1.341 18716 5686 1 10 . 1 1 27 27 LYS H H 27 7.817 7.817 7.627 0.190 18716 5687 1 10 . 1 1 28 28 GLN N N 28 122.978 122.978 119.895 3.083 18716 5688 1 10 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.326 0.490 18716 5689 1 10 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.130 -0.657 18716 5690 1 10 . 1 1 28 28 GLN CB C 28 34.054 34.054 29.847 4.207 18716 5691 1 10 . 1 1 28 28 GLN H H 28 8.458 8.458 8.421 0.037 18716 5692 1 10 . 1 1 29 29 TYR N N 29 119.540 119.540 119.289 0.251 18716 5693 1 10 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.476 -0.744 18716 5694 1 10 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.875 2.135 18716 5695 1 10 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.489 -2.273 18716 5696 1 10 . 1 1 29 29 TYR H H 29 7.824 7.824 8.520 -0.696 18716 5697 1 10 . 1 1 30 30 LYS N N 30 117.978 117.978 120.756 -2.778 18716 5698 1 10 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.887 0.329 18716 5699 1 10 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.386 -1.321 18716 5700 1 10 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.040 2.548 18716 5701 1 10 . 1 1 30 30 LYS H H 30 10.610 10.610 9.140 1.470 18716 5702 1 10 . 1 1 31 31 LEU N N 31 128.602 128.602 124.898 3.704 18716 5703 1 10 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.147 0.034 18716 5704 1 10 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.042 1.192 18716 5705 1 10 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.874 -0.872 18716 5706 1 10 . 1 1 31 31 LEU H H 31 9.991 9.991 8.804 1.187 18716 5707 1 10 . 1 1 32 32 LYS N N 32 115.165 115.165 118.318 -3.153 18716 5708 1 10 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.957 0.188 18716 5709 1 10 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.662 -0.565 18716 5710 1 10 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.740 -0.181 18716 5711 1 10 . 1 1 32 32 LYS H H 32 8.399 8.399 8.644 -0.245 18716 5712 1 10 . 1 1 33 33 HIS N N 33 119.540 119.540 117.137 2.403 18716 5713 1 10 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.682 -0.078 18716 5714 1 10 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.613 3.278 18716 5715 1 10 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.535 2.249 18716 5716 1 10 . 1 1 33 33 HIS H H 33 8.193 8.193 7.988 0.205 18716 5717 1 10 . 1 1 34 34 ILE N N 34 119.540 119.540 120.598 -1.058 18716 5718 1 10 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.903 -0.109 18716 5719 1 10 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.733 -0.885 18716 5720 1 10 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.673 -0.694 18716 5721 1 10 . 1 1 34 34 ILE H H 34 7.898 7.898 7.537 0.361 18716 5722 1 10 . 1 1 35 35 VAL N N 35 122.040 122.040 119.743 2.297 18716 5723 1 10 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.774 -0.162 18716 5724 1 10 . 1 1 35 35 VAL CA C 35 66.746 66.746 67.043 -0.297 18716 5725 1 10 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.615 0.527 18716 5726 1 10 . 1 1 35 35 VAL H H 35 7.706 7.706 8.587 -0.881 18716 5727 1 10 . 1 1 36 36 TRP N N 36 119.986 119.986 122.520 -2.534 18716 5728 1 10 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.192 0.041 18716 5729 1 10 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.082 0.028 18716 5730 1 10 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.318 -0.906 18716 5731 1 10 . 1 1 36 36 TRP H H 36 8.452 8.452 7.772 0.680 18716 5732 1 10 . 1 1 37 37 ALA N N 37 120.478 120.478 119.622 0.856 18716 5733 1 10 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.584 -0.192 18716 5734 1 10 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.044 0.093 18716 5735 1 10 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.209 -0.779 18716 5736 1 10 . 1 1 37 37 ALA H H 37 8.311 8.311 8.026 0.285 18716 5737 1 10 . 1 1 38 38 SER N N 38 111.415 111.415 114.856 -3.441 18716 5738 1 10 . 1 1 38 38 SER HA H 38 3.906 3.906 4.045 -0.139 18716 5739 1 10 . 1 1 38 38 SER CA C 38 62.801 62.801 61.709 1.092 18716 5740 1 10 . 1 1 38 38 SER CB C 38 62.829 62.829 62.959 -0.130 18716 5741 1 10 . 1 1 38 38 SER H H 38 8.259 8.259 7.758 0.501 18716 5742 1 10 . 1 1 39 39 ARG N N 39 119.852 119.852 119.891 -0.039 18716 5743 1 10 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.004 0.142 18716 5744 1 10 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.685 -0.275 18716 5745 1 10 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.204 -0.196 18716 5746 1 10 . 1 1 39 39 ARG H H 39 7.559 7.559 7.573 -0.014 18716 5747 1 10 . 1 1 40 40 GLU N N 40 121.102 121.102 118.563 2.539 18716 5748 1 10 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.889 -0.102 18716 5749 1 10 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.323 -0.042 18716 5750 1 10 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.299 0.375 18716 5751 1 10 . 1 1 40 40 GLU H H 40 8.222 8.222 7.469 0.753 18716 5752 1 10 . 1 1 41 41 LEU N N 41 117.040 117.040 121.078 -4.038 18716 5753 1 10 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.123 -0.163 18716 5754 1 10 . 1 1 41 41 LEU CA C 41 58.297 58.297 58.323 -0.026 18716 5755 1 10 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.930 -1.750 18716 5756 1 10 . 1 1 41 41 LEU H H 41 8.016 8.016 8.341 -0.325 18716 5757 1 10 . 1 1 42 42 GLU N N 42 117.352 117.352 118.519 -1.167 18716 5758 1 10 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.117 0.010 18716 5759 1 10 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.484 0.087 18716 5760 1 10 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.426 0.239 18716 5761 1 10 . 1 1 42 42 GLU H H 42 7.559 7.559 7.640 -0.081 18716 5762 1 10 . 1 1 43 43 ARG N N 43 119.540 119.540 118.829 0.711 18716 5763 1 10 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.017 0.010 18716 5764 1 10 . 1 1 43 43 ARG CA C 43 58.601 58.601 57.783 0.818 18716 5765 1 10 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.828 -0.163 18716 5766 1 10 . 1 1 43 43 ARG H H 43 7.647 7.647 7.263 0.384 18716 5767 1 10 . 1 1 44 44 PHE N N 44 117.665 117.665 118.458 -0.793 18716 5768 1 10 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.689 -0.073 18716 5769 1 10 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.612 0.813 18716 5770 1 10 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.331 0.823 18716 5771 1 10 . 1 1 44 44 PHE H H 44 7.529 7.529 7.583 -0.054 18716 5772 1 10 . 1 1 45 45 ALA N N 45 118.915 118.915 119.133 -0.218 18716 5773 1 10 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.928 0.087 18716 5774 1 10 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.245 0.169 18716 5775 1 10 . 1 1 45 45 ALA CB C 45 16.281 16.281 16.839 -0.558 18716 5776 1 10 . 1 1 45 45 ALA H H 45 7.928 7.928 7.655 0.273 18716 5777 1 10 . 1 1 46 46 VAL N N 46 119.540 119.540 119.044 0.496 18716 5778 1 10 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.195 -0.100 18716 5779 1 10 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.697 0.092 18716 5780 1 10 . 1 1 46 46 VAL CB C 46 33.420 33.420 34.498 -1.078 18716 5781 1 10 . 1 1 46 46 VAL H H 46 7.765 7.765 7.777 -0.012 18716 5782 1 10 . 1 1 47 47 ASN N N 47 125.790 125.790 126.029 -0.239 18716 5783 1 10 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.836 -0.190 18716 5784 1 10 . 1 1 47 47 ASN CA C 47 50.997 50.997 51.436 -0.439 18716 5785 1 10 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.204 0.882 18716 5786 1 10 . 1 1 47 47 ASN H H 47 8.399 8.399 8.822 -0.423 18716 5787 1 10 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.406 -0.184 18716 5788 1 10 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.279 0.035 18716 5789 1 10 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.949 -0.209 18716 5790 1 10 . 1 1 49 49 GLY N N 49 108.290 108.290 107.149 1.141 18716 5791 1 10 . 1 1 49 49 GLY CA C 49 46.530 46.530 44.983 1.547 18716 5792 1 10 . 1 1 49 49 GLY H H 49 8.620 8.620 8.140 0.480 18716 5793 1 10 . 1 1 50 50 LEU N N 50 121.728 121.728 118.942 2.786 18716 5794 1 10 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.456 -0.319 18716 5795 1 10 . 1 1 50 50 LEU CA C 50 57.299 57.299 54.908 2.391 18716 5796 1 10 . 1 1 50 50 LEU CB C 50 41.563 41.563 42.670 -1.107 18716 5797 1 10 . 1 1 50 50 LEU H H 50 7.765 7.765 7.308 0.457 18716 5798 1 10 . 1 1 51 51 LEU N N 51 112.040 112.040 119.693 -7.653 18716 5799 1 10 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.135 0.091 18716 5800 1 10 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.357 -0.850 18716 5801 1 10 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.788 0.702 18716 5802 1 10 . 1 1 51 51 LEU H H 51 7.412 7.412 7.490 -0.078 18716 5803 1 10 . 1 1 52 52 GLU N N 52 114.540 114.540 114.312 0.228 18716 5804 1 10 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.186 -0.131 18716 5805 1 10 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.886 1.498 18716 5806 1 10 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.500 1.558 18716 5807 1 10 . 1 1 52 52 GLU H H 52 7.500 7.500 8.570 -1.070 18716 5808 1 10 . 1 1 53 53 THR N N 53 122.978 122.978 112.416 10.562 18716 5809 1 10 . 1 1 53 53 THR HA H 53 4.402 4.402 4.423 -0.022 18716 5810 1 10 . 1 1 53 53 THR CA C 53 58.306 58.306 60.329 -2.023 18716 5811 1 10 . 1 1 53 53 THR CB C 53 73.222 73.222 72.257 0.965 18716 5812 1 10 . 1 1 53 53 THR H H 53 7.235 7.235 7.488 -0.253 18716 5813 1 10 . 1 1 54 54 SER N N 54 119.228 119.228 120.536 -1.308 18716 5814 1 10 . 1 1 54 54 SER HA H 54 4.043 4.043 4.183 -0.140 18716 5815 1 10 . 1 1 54 54 SER CA C 54 62.657 62.657 61.568 1.089 18716 5816 1 10 . 1 1 54 54 SER CB C 54 62.562 62.562 62.952 -0.390 18716 5817 1 10 . 1 1 54 54 SER H H 54 9.313 9.313 8.909 0.404 18716 5818 1 10 . 1 1 55 55 GLU N N 55 121.233 121.233 121.120 0.113 18716 5819 1 10 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.394 -0.325 18716 5820 1 10 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.649 1.026 18716 5821 1 10 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.243 -0.244 18716 5822 1 10 . 1 1 55 55 GLU H H 55 8.975 8.975 8.584 0.391 18716 5823 1 10 . 1 1 56 56 GLY N N 56 110.790 110.790 108.549 2.241 18716 5824 1 10 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.149 0.717 18716 5825 1 10 . 1 1 56 56 GLY H H 56 8.517 8.517 8.195 0.322 18716 5826 1 10 . 1 1 57 57 CYS N N 57 118.602 118.602 119.083 -0.481 18716 5827 1 10 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.222 -0.198 18716 5828 1 10 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.608 0.994 18716 5829 1 10 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.948 19.847 18716 5830 1 10 . 1 1 57 57 CYS H H 57 8.134 8.134 7.887 0.247 18716 5831 1 10 . 1 1 58 58 ARG N N 58 119.540 119.540 120.274 -0.734 18716 5832 1 10 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.688 -0.138 18716 5833 1 10 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.853 -0.146 18716 5834 1 10 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.764 -0.315 18716 5835 1 10 . 1 1 58 58 ARG H H 58 8.488 8.488 7.908 0.580 18716 5836 1 10 . 1 1 59 59 GLN N N 59 119.852 119.852 117.233 2.619 18716 5837 1 10 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.101 -0.049 18716 5838 1 10 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.576 0.824 18716 5839 1 10 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.688 -0.454 18716 5840 1 10 . 1 1 59 59 GLN H H 59 8.016 8.016 7.710 0.306 18716 5841 1 10 . 1 1 60 60 ILE N N 60 120.790 120.790 120.274 0.516 18716 5842 1 10 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.765 -0.153 18716 5843 1 10 . 1 1 60 60 ILE CA C 60 65.651 65.651 64.537 1.114 18716 5844 1 10 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.242 -0.392 18716 5845 1 10 . 1 1 60 60 ILE H H 60 8.163 8.163 7.607 0.556 18716 5846 1 10 . 1 1 61 61 LEU N N 61 118.915 118.915 119.768 -0.853 18716 5847 1 10 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.178 -0.283 18716 5848 1 10 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.752 0.902 18716 5849 1 10 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.261 -0.485 18716 5850 1 10 . 1 1 61 61 LEU H H 61 8.370 8.370 8.588 -0.218 18716 5851 1 10 . 1 1 62 62 GLY N N 62 104.332 104.332 107.101 -2.769 18716 5852 1 10 . 1 1 62 62 GLY CA C 62 47.184 47.184 47.037 0.147 18716 5853 1 10 . 1 1 62 62 GLY H H 62 7.883 7.883 8.332 -0.449 18716 5854 1 10 . 1 1 63 63 GLN N N 63 119.852 119.852 119.293 0.559 18716 5855 1 10 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.372 -0.224 18716 5856 1 10 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.053 0.820 18716 5857 1 10 . 1 1 63 63 GLN CB C 63 29.115 29.115 28.877 0.239 18716 5858 1 10 . 1 1 63 63 GLN H H 63 7.795 7.795 7.454 0.341 18716 5859 1 10 . 1 1 64 64 LEU N N 64 117.040 117.040 120.086 -3.046 18716 5860 1 10 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.006 0.252 18716 5861 1 10 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.648 -0.465 18716 5862 1 10 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.853 2.345 18716 5863 1 10 . 1 1 64 64 LEU H H 64 8.252 8.252 7.604 0.648 18716 5864 1 10 . 1 1 65 65 GLN N N 65 118.915 118.915 119.806 -0.891 18716 5865 1 10 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.840 -0.061 18716 5866 1 10 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.915 0.632 18716 5867 1 10 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.869 -1.005 18716 5868 1 10 . 1 1 65 65 GLN H H 65 8.104 8.104 8.384 -0.280 18716 5869 1 10 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.326 0.057 18716 5870 1 10 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.994 0.923 18716 5871 1 10 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.205 -0.106 18716 5872 1 10 . 1 1 67 67 SER N N 67 111.415 111.415 114.393 -2.978 18716 5873 1 10 . 1 1 67 67 SER HA H 67 4.493 4.493 4.317 0.176 18716 5874 1 10 . 1 1 67 67 SER CA C 67 59.696 59.696 61.121 -1.425 18716 5875 1 10 . 1 1 67 67 SER CB C 67 64.031 64.031 63.118 0.913 18716 5876 1 10 . 1 1 67 67 SER H H 67 7.824 7.824 7.525 0.299 18716 5877 1 10 . 1 1 68 68 LEU N N 68 121.102 121.102 122.013 -0.911 18716 5878 1 10 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.798 0.018 18716 5879 1 10 . 1 1 68 68 LEU CA C 68 57.948 57.948 58.062 -0.114 18716 5880 1 10 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.318 0.451 18716 5881 1 10 . 1 1 68 68 LEU H H 68 7.647 7.647 8.056 -0.409 18716 5882 1 10 . 1 1 69 69 GLN N N 69 116.415 116.415 118.852 -2.437 18716 5883 1 10 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.052 0.017 18716 5884 1 10 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.367 0.103 18716 5885 1 10 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.918 -0.490 18716 5886 1 10 . 1 1 69 69 GLN H H 69 8.060 8.060 8.293 -0.233 18716 5887 1 10 . 1 1 70 70 THR N N 70 106.728 106.728 112.154 -5.426 18716 5888 1 10 . 1 1 70 70 THR HA H 70 4.481 4.481 4.548 -0.067 18716 5889 1 10 . 1 1 70 70 THR CA C 70 61.291 61.291 61.588 -0.297 18716 5890 1 10 . 1 1 70 70 THR CB C 70 69.415 69.415 68.957 0.458 18716 5891 1 10 . 1 1 70 70 THR H H 70 7.515 7.515 7.661 -0.146 18716 5892 1 10 . 1 1 71 71 GLY N N 71 109.540 109.540 111.028 -1.488 18716 5893 1 10 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.386 1.167 18716 5894 1 10 . 1 1 71 71 GLY H H 71 7.692 7.692 7.487 0.205 18716 5895 1 10 . 1 1 72 72 SER N N 72 114.540 114.540 114.533 0.007 18716 5896 1 10 . 1 1 72 72 SER HA H 72 4.625 4.625 4.691 -0.066 18716 5897 1 10 . 1 1 72 72 SER CA C 72 57.319 57.319 57.415 -0.096 18716 5898 1 10 . 1 1 72 72 SER CB C 72 64.599 64.599 65.977 -1.378 18716 5899 1 10 . 1 1 72 72 SER H H 72 8.045 8.045 8.066 -0.021 18716 5900 1 10 . 1 1 73 73 GLU N N 73 124.228 124.228 121.408 2.820 18716 5901 1 10 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.031 0.056 18716 5902 1 10 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.279 -0.899 18716 5903 1 10 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.631 -0.329 18716 5904 1 10 . 1 1 73 73 GLU H H 73 9.092 9.092 8.887 0.205 18716 5905 1 10 . 1 1 74 74 GLU N N 74 120.165 120.165 119.486 0.679 18716 5906 1 10 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.282 -0.024 18716 5907 1 10 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.467 0.839 18716 5908 1 10 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.730 -0.268 18716 5909 1 10 . 1 1 74 74 GLU H H 74 8.665 8.665 7.757 0.908 18716 5910 1 10 . 1 1 75 75 LEU N N 75 121.415 121.415 120.387 1.028 18716 5911 1 10 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.069 0.114 18716 5912 1 10 . 1 1 75 75 LEU CA C 75 57.932 57.932 58.001 -0.069 18716 5913 1 10 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.058 -0.880 18716 5914 1 10 . 1 1 75 75 LEU H H 75 7.765 7.765 7.877 -0.112 18716 5915 1 10 . 1 1 76 76 ARG N N 76 119.228 119.228 119.422 -0.194 18716 5916 1 10 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.904 0.029 18716 5917 1 10 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.159 -0.477 18716 5918 1 10 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.277 -1.080 18716 5919 1 10 . 1 1 76 76 ARG H H 76 7.868 7.868 8.431 -0.563 18716 5920 1 10 . 1 1 77 77 SER N N 77 114.228 114.228 116.254 -2.026 18716 5921 1 10 . 1 1 77 77 SER HA H 77 4.263 4.263 4.154 0.109 18716 5922 1 10 . 1 1 77 77 SER CA C 77 62.668 62.668 62.052 0.616 18716 5923 1 10 . 1 1 77 77 SER CB C 77 62.849 62.849 63.105 -0.256 18716 5924 1 10 . 1 1 77 77 SER H H 77 8.576 8.576 8.180 0.396 18716 5925 1 10 . 1 1 78 78 LEU N N 78 125.790 125.790 123.396 2.394 18716 5926 1 10 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.308 0.113 18716 5927 1 10 . 1 1 78 78 LEU CA C 78 58.962 58.962 57.987 0.975 18716 5928 1 10 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.289 0.629 18716 5929 1 10 . 1 1 78 78 LEU H H 78 8.458 8.458 7.854 0.604 18716 5930 1 10 . 1 1 79 79 TYR N N 79 119.852 119.852 119.358 0.494 18716 5931 1 10 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.009 -0.348 18716 5932 1 10 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.996 0.806 18716 5933 1 10 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.139 1.055 18716 5934 1 10 . 1 1 79 79 TYR H H 79 8.694 8.694 8.531 0.163 18716 5935 1 10 . 1 1 80 80 ASN N N 80 117.040 117.040 117.886 -0.846 18716 5936 1 10 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.499 -0.215 18716 5937 1 10 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.461 -0.674 18716 5938 1 10 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.439 -0.600 18716 5939 1 10 . 1 1 80 80 ASN H H 80 8.871 8.871 8.067 0.804 18716 5940 1 10 . 1 1 81 81 THR N N 81 115.790 115.790 118.673 -2.883 18716 5941 1 10 . 1 1 81 81 THR HA H 81 3.945 3.945 4.171 -0.226 18716 5942 1 10 . 1 1 81 81 THR CA C 81 67.855 67.855 67.500 0.355 18716 5943 1 10 . 1 1 81 81 THR CB C 81 69.140 69.140 69.245 -0.105 18716 5944 1 10 . 1 1 81 81 THR H H 81 8.119 8.119 8.197 -0.078 18716 5945 1 10 . 1 1 82 82 ILE N N 82 121.102 121.102 121.164 -0.062 18716 5946 1 10 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.788 -0.120 18716 5947 1 10 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.367 -0.847 18716 5948 1 10 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.376 -0.890 18716 5949 1 10 . 1 1 82 82 ILE H H 82 8.090 8.090 8.766 -0.676 18716 5950 1 10 . 1 1 83 83 ALA N N 83 125.165 125.165 123.187 1.978 18716 5951 1 10 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.894 -0.003 18716 5952 1 10 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.296 0.559 18716 5953 1 10 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.969 -0.128 18716 5954 1 10 . 1 1 83 83 ALA H H 83 8.782 8.782 7.390 1.392 18716 5955 1 10 . 1 1 84 84 VAL N N 84 117.665 117.665 118.800 -1.135 18716 5956 1 10 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.621 -0.293 18716 5957 1 10 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.358 1.107 18716 5958 1 10 . 1 1 84 84 VAL CB C 84 30.695 30.695 30.582 0.113 18716 5959 1 10 . 1 1 84 84 VAL H H 84 7.795 7.795 7.618 0.177 18716 5960 1 10 . 1 1 85 85 LEU N N 85 122.040 122.040 120.883 1.157 18716 5961 1 10 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.950 -0.135 18716 5962 1 10 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.548 -0.238 18716 5963 1 10 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.904 0.244 18716 5964 1 10 . 1 1 85 85 LEU H H 85 8.163 8.163 8.203 -0.040 18716 5965 1 10 . 1 1 86 86 TYR N N 86 118.915 118.915 120.056 -1.141 18716 5966 1 10 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.039 -0.127 18716 5967 1 10 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.577 1.241 18716 5968 1 10 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.166 0.121 18716 5969 1 10 . 1 1 86 86 TYR H H 86 9.062 9.062 8.226 0.836 18716 5970 1 10 . 1 1 87 87 CYS N N 87 116.102 116.102 115.952 0.150 18716 5971 1 10 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.788 0.006 18716 5972 1 10 . 1 1 87 87 CYS CA C 87 65.966 65.966 65.120 0.846 18716 5973 1 10 . 1 1 87 87 CYS CB C 87 46.557 46.557 27.269 19.288 18716 5974 1 10 . 1 1 87 87 CYS H H 87 7.515 7.515 8.647 -1.132 18716 5975 1 10 . 1 1 88 88 VAL N N 88 119.978 119.978 119.457 0.521 18716 5976 1 10 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.761 0.117 18716 5977 1 10 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.824 0.597 18716 5978 1 10 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.313 0.274 18716 5979 1 10 . 1 1 88 88 VAL H H 88 8.429 8.429 7.475 0.954 18716 5980 1 10 . 1 1 89 89 HIS N N 89 118.915 118.915 114.516 4.399 18716 5981 1 10 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.500 0.375 18716 5982 1 10 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.637 0.483 18716 5983 1 10 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.085 -0.002 18716 5984 1 10 . 1 1 89 89 HIS H H 89 8.797 8.797 7.119 1.678 18716 5985 1 10 . 1 1 90 90 GLN N N 90 116.728 116.728 117.079 -0.351 18716 5986 1 10 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.306 0.079 18716 5987 1 10 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.057 1.232 18716 5988 1 10 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.151 2.801 18716 5989 1 10 . 1 1 90 90 GLN H H 90 7.986 7.986 7.130 0.856 18716 5990 1 10 . 1 1 91 91 ARG N N 91 115.165 115.165 116.552 -1.387 18716 5991 1 10 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.864 0.149 18716 5992 1 10 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.446 -0.263 18716 5993 1 10 . 1 1 91 91 ARG CB C 91 26.049 26.049 28.192 -2.143 18716 5994 1 10 . 1 1 91 91 ARG H H 91 7.883 7.883 7.537 0.346 18716 5995 1 10 . 1 1 92 92 ILE N N 92 120.087 120.087 119.560 0.527 18716 5996 1 10 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.130 -0.145 18716 5997 1 10 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.924 -0.268 18716 5998 1 10 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.734 0.196 18716 5999 1 10 . 1 1 92 92 ILE H H 92 8.335 8.335 8.058 0.277 18716 6000 1 10 . 1 1 93 93 ASP N N 93 129.228 129.228 127.679 1.549 18716 6001 1 10 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.886 -0.401 18716 6002 1 10 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.862 2.181 18716 6003 1 10 . 1 1 93 93 ASP CB C 93 40.396 40.396 42.169 -1.773 18716 6004 1 10 . 1 1 93 93 ASP H H 93 8.620 8.620 8.628 -0.008 18716 6005 1 10 . 1 1 94 94 VAL N N 94 115.790 115.790 119.235 -3.445 18716 6006 1 10 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.603 0.030 18716 6007 1 10 . 1 1 94 94 VAL CA C 94 59.120 59.120 58.901 0.219 18716 6008 1 10 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.313 1.199 18716 6009 1 10 . 1 1 94 94 VAL H H 94 7.751 7.751 8.185 -0.434 18716 6010 1 10 . 1 1 95 95 LYS N N 95 118.915 118.915 119.035 -0.120 18716 6011 1 10 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.339 0.054 18716 6012 1 10 . 1 1 95 95 LYS CA C 95 56.671 56.671 58.415 -1.744 18716 6013 1 10 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.968 0.041 18716 6014 1 10 . 1 1 95 95 LYS H H 95 9.239 9.239 8.668 0.571 18716 6015 1 10 . 1 1 96 96 ASP N N 96 112.040 112.040 114.775 -2.735 18716 6016 1 10 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.368 0.194 18716 6017 1 10 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.193 0.636 18716 6018 1 10 . 1 1 96 96 ASP CB C 96 44.604 44.604 42.949 1.655 18716 6019 1 10 . 1 1 96 96 ASP H H 96 7.412 7.412 7.735 -0.323 18716 6020 1 10 . 1 1 97 97 THR N N 97 109.540 109.540 113.461 -3.921 18716 6021 1 10 . 1 1 97 97 THR HA H 97 3.661 3.661 4.106 -0.445 18716 6022 1 10 . 1 1 97 97 THR CA C 97 65.947 65.947 66.399 -0.452 18716 6023 1 10 . 1 1 97 97 THR CB C 97 70.285 70.285 69.001 1.284 18716 6024 1 10 . 1 1 97 97 THR H H 97 7.250 7.250 8.234 -0.984 18716 6025 1 10 . 1 1 98 98 LYS N N 98 121.102 121.102 121.709 -0.607 18716 6026 1 10 . 1 1 98 98 LYS HA H 98 3.945 3.945 4.007 -0.062 18716 6027 1 10 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.278 0.350 18716 6028 1 10 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.966 -0.039 18716 6029 1 10 . 1 1 98 98 LYS H H 98 7.868 7.868 8.206 -0.338 18716 6030 1 10 . 1 1 99 99 GLU N N 99 119.228 119.228 118.895 0.333 18716 6031 1 10 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.136 -0.059 18716 6032 1 10 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.267 0.528 18716 6033 1 10 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.643 0.603 18716 6034 1 10 . 1 1 99 99 GLU H H 99 8.384 8.384 8.521 -0.137 18716 6035 1 10 . 1 1 100 100 ALA N N 100 118.915 118.915 122.447 -3.532 18716 6036 1 10 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.073 0.313 18716 6037 1 10 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.982 0.414 18716 6038 1 10 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.384 1.375 18716 6039 1 10 . 1 1 100 100 ALA H H 100 7.382 7.382 7.560 -0.178 18716 6040 1 10 . 1 1 101 101 LEU N N 101 117.978 117.978 116.416 1.562 18716 6041 1 10 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.972 0.048 18716 6042 1 10 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.278 0.697 18716 6043 1 10 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.752 -0.259 18716 6044 1 10 . 1 1 101 101 LEU H H 101 8.119 8.119 7.771 0.348 18716 6045 1 10 . 1 1 102 102 ASP N N 102 120.478 120.478 120.396 0.082 18716 6046 1 10 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.467 -0.100 18716 6047 1 10 . 1 1 102 102 ASP CA C 102 57.352 57.352 56.974 0.378 18716 6048 1 10 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.147 -0.424 18716 6049 1 10 . 1 1 102 102 ASP H H 102 8.679 8.679 7.925 0.754 18716 6050 1 10 . 1 1 103 103 LYS N N 103 120.165 120.165 120.561 -0.396 18716 6051 1 10 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.044 0.120 18716 6052 1 10 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.769 -1.405 18716 6053 1 10 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.475 -0.943 18716 6054 1 10 . 1 1 103 103 LYS H H 103 8.207 8.207 7.892 0.315 18716 6055 1 10 . 1 1 104 104 ILE N N 104 119.852 119.852 118.640 1.212 18716 6056 1 10 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.798 0.012 18716 6057 1 10 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.121 -0.513 18716 6058 1 10 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.884 -0.450 18716 6059 1 10 . 1 1 104 104 ILE H H 104 8.163 8.163 7.583 0.580 18716 6060 1 10 . 1 1 105 105 GLU N N 105 121.415 121.415 118.532 2.883 18716 6061 1 10 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.028 0.007 18716 6062 1 10 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.296 0.338 18716 6063 1 10 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.530 3.226 18716 6064 1 10 . 1 1 105 105 GLU H H 105 8.001 8.001 7.799 0.202 18716 6065 1 10 . 1 1 106 106 GLU N N 106 119.228 119.228 120.168 -0.940 18716 6066 1 10 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.228 -0.138 18716 6067 1 10 . 1 1 106 106 GLU CA C 106 59.267 59.267 58.550 0.717 18716 6068 1 10 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.799 -0.202 18716 6069 1 10 . 1 1 106 106 GLU H H 106 8.031 8.031 7.743 0.288 18716 6070 1 10 . 1 1 107 107 GLU N N 107 118.915 118.915 119.315 -0.400 18716 6071 1 10 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.007 0.066 18716 6072 1 10 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.086 0.255 18716 6073 1 10 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.749 0.121 18716 6074 1 10 . 1 1 107 107 GLU H H 107 8.016 8.016 8.362 -0.346 18716 6075 1 10 . 1 1 108 108 GLN N N 108 118.290 118.290 118.491 -0.201 18716 6076 1 10 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.126 0.021 18716 6077 1 10 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.472 -0.065 18716 6078 1 10 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.697 0.148 18716 6079 1 10 . 1 1 108 108 GLN H H 108 8.252 8.252 7.712 0.540 18716 6080 1 10 . 1 1 109 109 ASN N N 109 118.290 118.290 118.815 -0.525 18716 6081 1 10 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.365 0.252 18716 6082 1 10 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.389 -1.507 18716 6083 1 10 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.571 -0.046 18716 6084 1 10 . 1 1 109 109 ASN H H 109 8.252 8.252 7.615 0.637 18716 6085 1 10 . 1 1 110 110 LYS N N 110 120.478 120.478 119.031 1.447 18716 6086 1 10 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.000 0.230 18716 6087 1 10 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.568 -1.257 18716 6088 1 10 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.343 0.348 18716 6089 1 10 . 1 1 110 110 LYS H H 110 8.031 8.031 7.599 0.432 18716 6090 1 10 . 1 1 111 111 SER N N 111 114.540 114.540 113.965 0.575 18716 6091 1 10 . 1 1 111 111 SER HA H 111 4.368 4.368 4.339 0.029 18716 6092 1 10 . 1 1 111 111 SER CA C 111 59.764 59.764 60.975 -1.211 18716 6093 1 10 . 1 1 111 111 SER CB C 111 63.442 63.442 63.095 0.347 18716 6094 1 10 . 1 1 111 111 SER H H 111 8.031 8.031 7.678 0.353 18716 6095 1 10 . 1 1 112 112 LYS N N 112 122.040 122.040 122.403 -0.363 18716 6096 1 10 . 1 1 112 112 LYS HA H 112 4.245 4.245 3.963 0.282 18716 6097 1 10 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.458 -2.129 18716 6098 1 10 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.246 0.529 18716 6099 1 10 . 1 1 112 112 LYS H H 112 7.957 7.957 8.025 -0.068 18716 6100 1 10 . 1 1 113 113 LYS N N 113 120.790 120.790 117.660 3.130 18716 6101 1 10 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.135 0.015 18716 6102 1 10 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.152 0.982 18716 6103 1 10 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.483 0.283 18716 6104 1 10 . 1 1 113 113 LYS H H 113 8.016 8.016 7.801 0.215 18716 6105 1 10 . 1 1 114 114 LYS N N 114 121.728 121.728 118.013 3.715 18716 6106 1 10 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.393 -0.130 18716 6107 1 10 . 1 1 114 114 LYS CA C 114 57.185 57.185 56.012 1.173 18716 6108 1 10 . 1 1 114 114 LYS CB C 114 32.857 32.857 31.983 0.874 18716 6109 1 10 . 1 1 114 114 LYS H H 114 8.119 8.119 7.435 0.684 18716 6110 1 10 . 1 1 115 115 ALA N N 115 124.228 124.228 122.560 1.668 18716 6111 1 10 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.263 0.005 18716 6112 1 10 . 1 1 115 115 ALA CA C 115 53.035 53.035 53.962 -0.927 18716 6113 1 10 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.119 -0.081 18716 6114 1 10 . 1 1 115 115 ALA H H 115 8.178 8.178 7.878 0.300 18716 6115 1 10 . 1 1 116 116 GLN N N 116 119.228 119.228 118.477 0.751 18716 6116 1 10 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.206 0.042 18716 6117 1 10 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.897 0.652 18716 6118 1 10 . 1 1 116 116 GLN H H 116 8.237 8.237 8.055 0.182 18716 6119 1 10 . 1 1 117 117 GLN N N 117 120.478 120.478 116.430 4.048 18716 6120 1 10 . 1 1 117 117 GLN HA H 117 4.269 4.269 3.851 0.418 18716 6121 1 10 . 1 1 117 117 GLN CA C 117 56.324 56.324 56.859 -0.535 18716 6122 1 10 . 1 1 117 117 GLN CB C 117 29.606 29.606 27.699 1.907 18716 6123 1 10 . 1 1 117 117 GLN H H 117 8.266 8.266 8.752 -0.486 18716 6124 1 10 . 1 1 118 118 ALA N N 118 124.852 124.852 118.527 6.325 18716 6125 1 10 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.259 0.017 18716 6126 1 10 . 1 1 118 118 ALA CA C 118 52.837 52.837 52.731 0.106 18716 6127 1 10 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.542 0.520 18716 6128 1 10 . 1 1 118 118 ALA H H 118 8.266 8.266 8.026 0.240 18716 6129 1 10 . 1 1 119 119 ALA N N 119 122.978 122.978 122.213 0.765 18716 6130 1 10 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.461 -0.167 18716 6131 1 10 . 1 1 119 119 ALA CA C 119 52.637 52.637 53.225 -0.588 18716 6132 1 10 . 1 1 119 119 ALA CB C 119 19.201 19.201 19.134 0.068 18716 6133 1 10 . 1 1 119 119 ALA H H 119 8.163 8.163 8.231 -0.068 18716 6134 1 10 . 1 1 120 120 ALA N N 120 122.665 122.665 120.585 2.080 18716 6135 1 10 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.088 0.189 18716 6136 1 10 . 1 1 120 120 ALA CA C 120 52.736 52.736 54.041 -1.305 18716 6137 1 10 . 1 1 120 120 ALA CB C 120 19.167 19.167 17.818 1.349 18716 6138 1 10 . 1 1 120 120 ALA H H 120 8.163 8.163 8.160 0.003 18716 6139 1 10 . 1 1 121 121 ASP N N 121 119.228 119.228 116.685 2.543 18716 6140 1 10 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.466 0.216 18716 6141 1 10 . 1 1 121 121 ASP CA C 121 54.264 54.264 55.354 -1.090 18716 6142 1 10 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.861 0.267 18716 6143 1 10 . 1 1 121 121 ASP H H 121 8.252 8.252 8.299 -0.047 18716 6144 1 10 . 1 1 122 122 THR N N 122 113.602 113.602 112.191 1.411 18716 6145 1 10 . 1 1 122 122 THR HA H 122 4.358 4.358 4.193 0.165 18716 6146 1 10 . 1 1 122 122 THR CA C 122 61.971 61.971 62.374 -0.403 18716 6147 1 10 . 1 1 122 122 THR CB C 122 69.586 69.586 69.608 -0.022 18716 6148 1 10 . 1 1 122 122 THR H H 122 8.075 8.075 7.475 0.600 18716 6149 1 10 . 1 1 123 123 GLY N N 123 110.478 110.478 109.497 0.981 18716 6150 1 10 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.059 0.544 18716 6151 1 10 . 1 1 123 123 GLY H H 123 8.414 8.414 8.634 -0.220 18716 6152 1 10 . 1 1 124 124 ASN N N 124 118.602 118.602 124.515 -5.913 18716 6153 1 10 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.736 -0.128 18716 6154 1 10 . 1 1 124 124 ASN CA C 124 54.733 54.733 51.283 3.450 18716 6155 1 10 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.874 -1.336 18716 6156 1 10 . 1 1 124 124 ASN H H 124 8.266 8.266 8.339 -0.073 18716 6157 1 10 . 1 1 125 125 ASN N N 125 119.228 119.228 117.359 1.869 18716 6158 1 10 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.503 0.221 18716 6159 1 10 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.484 -0.031 18716 6160 1 10 . 1 1 125 125 ASN CB C 125 38.813 38.813 38.739 0.074 18716 6161 1 10 . 1 1 125 125 ASN H H 125 8.443 8.443 8.375 0.068 18716 6162 1 10 . 1 1 126 126 SER N N 126 115.790 115.790 115.298 0.492 18716 6163 1 10 . 1 1 126 126 SER HA H 126 4.388 4.388 4.325 0.063 18716 6164 1 10 . 1 1 126 126 SER CA C 126 58.851 58.851 58.679 0.172 18716 6165 1 10 . 1 1 126 126 SER CB C 126 63.926 63.926 63.905 0.021 18716 6166 1 10 . 1 1 126 126 SER H H 126 8.266 8.266 8.271 -0.005 18716 6167 1 10 . 1 1 127 127 GLN N N 127 121.728 121.728 127.235 -5.507 18716 6168 1 10 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.451 -0.128 18716 6169 1 10 . 1 1 127 127 GLN CA C 127 56.223 56.223 54.769 1.454 18716 6170 1 10 . 1 1 127 127 GLN CB C 127 29.168 29.168 28.382 0.786 18716 6171 1 10 . 1 1 127 127 GLN H H 127 8.355 8.355 8.430 -0.075 18716 6172 1 10 . 1 1 128 128 VAL N N 128 119.852 119.852 121.254 -1.402 18716 6173 1 10 . 1 1 128 128 VAL HA H 128 4.109 4.109 3.964 0.145 18716 6174 1 10 . 1 1 128 128 VAL CA C 128 62.665 62.665 63.683 -1.018 18716 6175 1 10 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.331 0.438 18716 6176 1 10 . 1 1 128 128 VAL H H 128 7.986 7.986 7.986 -0.000 18716 6177 1 10 . 1 1 129 129 SER N N 129 117.978 117.978 118.022 -0.044 18716 6178 1 10 . 1 1 129 129 SER HA H 129 4.136 4.136 4.492 -0.356 18716 6179 1 10 . 1 1 129 129 SER CA C 129 58.404 58.404 57.406 0.999 18716 6180 1 10 . 1 1 129 129 SER CB C 129 63.755 63.755 64.614 -0.859 18716 6181 1 10 . 1 1 129 129 SER H H 129 8.252 8.252 8.152 0.100 18716 6182 1 10 . 1 1 130 130 GLN N N 130 121.728 121.728 119.324 2.404 18716 6183 1 10 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.115 0.240 18716 6184 1 10 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.643 0.507 18716 6185 1 10 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.024 0.348 18716 6186 1 10 . 1 1 130 130 GLN H H 130 8.355 8.355 8.334 0.021 18716 6187 1 10 . 1 1 131 131 ASN N N 131 118.290 118.290 119.449 -1.159 18716 6188 1 10 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.685 -0.053 18716 6189 1 10 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.162 0.406 18716 6190 1 10 . 1 1 131 131 ASN H H 131 8.252 8.252 8.379 -0.127 18716 6191 1 11 . 1 1 3 3 ALA N N 3 123.842 123.842 123.427 0.415 18716 6192 1 11 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.617 -0.289 18716 6193 1 11 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.174 0.363 18716 6194 1 11 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.825 -2.574 18716 6195 1 11 . 1 1 3 3 ALA H H 3 8.183 8.183 8.366 -0.183 18716 6196 1 11 . 1 1 4 4 ARG N N 4 120.165 120.165 120.142 0.023 18716 6197 1 11 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.555 -0.299 18716 6198 1 11 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.447 0.518 18716 6199 1 11 . 1 1 4 4 ARG CB C 4 30.961 30.961 32.453 -1.492 18716 6200 1 11 . 1 1 4 4 ARG H H 4 8.429 8.429 8.118 0.311 18716 6201 1 11 . 1 1 5 5 ALA N N 5 125.165 125.165 124.480 0.685 18716 6202 1 11 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.353 -0.071 18716 6203 1 11 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.389 -0.018 18716 6204 1 11 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.216 0.456 18716 6205 1 11 . 1 1 5 5 ALA H H 5 8.370 8.370 8.495 -0.125 18716 6206 1 11 . 1 1 6 6 SER N N 6 114.540 114.540 119.862 -5.322 18716 6207 1 11 . 1 1 6 6 SER HA H 6 4.479 4.479 4.578 -0.099 18716 6208 1 11 . 1 1 6 6 SER CA C 6 57.804 57.804 57.343 0.461 18716 6209 1 11 . 1 1 6 6 SER CB C 6 64.034 64.034 62.312 1.722 18716 6210 1 11 . 1 1 6 6 SER H H 6 8.134 8.134 9.009 -0.875 18716 6211 1 11 . 1 1 7 7 VAL N N 7 121.415 121.415 122.362 -0.947 18716 6212 1 11 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.834 -0.217 18716 6213 1 11 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.352 1.359 18716 6214 1 11 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.319 -0.383 18716 6215 1 11 . 1 1 7 7 VAL H H 7 8.119 8.119 7.693 0.426 18716 6216 1 11 . 1 1 8 8 LEU N N 8 115.478 115.478 115.827 -0.349 18716 6217 1 11 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.884 0.030 18716 6218 1 11 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.031 -0.556 18716 6219 1 11 . 1 1 8 8 LEU CB C 8 44.314 44.314 44.792 -0.478 18716 6220 1 11 . 1 1 8 8 LEU H H 8 7.382 7.382 7.612 -0.230 18716 6221 1 11 . 1 1 9 9 SER N N 9 118.290 118.290 118.960 -0.670 18716 6222 1 11 . 1 1 9 9 SER HA H 9 4.606 4.606 4.530 0.076 18716 6223 1 11 . 1 1 9 9 SER CA C 9 57.197 57.197 57.387 -0.190 18716 6224 1 11 . 1 1 9 9 SER CB C 9 65.426 65.426 64.767 0.659 18716 6225 1 11 . 1 1 9 9 SER H H 9 9.166 9.166 8.844 0.322 18716 6226 1 11 . 1 1 10 10 GLY N N 10 109.228 109.228 108.440 0.788 18716 6227 1 11 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.071 0.603 18716 6228 1 11 . 1 1 10 10 GLY H H 10 8.959 8.959 8.663 0.296 18716 6229 1 11 . 1 1 11 11 GLY N N 11 111.102 111.102 109.851 1.251 18716 6230 1 11 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.384 0.277 18716 6231 1 11 . 1 1 11 11 GLY H H 11 8.782 8.782 7.808 0.974 18716 6232 1 11 . 1 1 12 12 GLU N N 12 120.165 120.165 122.056 -1.891 18716 6233 1 11 . 1 1 12 12 GLU HA H 12 3.950 3.950 3.998 -0.048 18716 6234 1 11 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.797 0.299 18716 6235 1 11 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.479 1.811 18716 6236 1 11 . 1 1 12 12 GLU H H 12 7.751 7.751 7.569 0.182 18716 6237 1 11 . 1 1 13 13 LEU N N 13 121.415 121.415 121.776 -0.361 18716 6238 1 11 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.071 0.037 18716 6239 1 11 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.324 -0.262 18716 6240 1 11 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.813 -0.877 18716 6241 1 11 . 1 1 13 13 LEU H H 13 8.340 8.340 8.313 0.027 18716 6242 1 11 . 1 1 14 14 ASP N N 14 116.415 116.415 119.320 -2.905 18716 6243 1 11 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.305 0.088 18716 6244 1 11 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.691 -0.555 18716 6245 1 11 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.557 0.529 18716 6246 1 11 . 1 1 14 14 ASP H H 14 7.574 7.574 7.810 -0.236 18716 6247 1 11 . 1 1 15 15 LYS N N 15 115.478 115.478 120.073 -4.595 18716 6248 1 11 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.138 -0.092 18716 6249 1 11 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.325 -0.923 18716 6250 1 11 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.307 0.052 18716 6251 1 11 . 1 1 15 15 LYS H H 15 7.117 7.117 7.641 -0.523 18716 6252 1 11 . 1 1 16 16 TRP N N 16 121.693 121.693 121.177 0.516 18716 6253 1 11 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.158 -0.133 18716 6254 1 11 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.608 -0.322 18716 6255 1 11 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.603 1.510 18716 6256 1 11 . 1 1 16 16 TRP H H 16 8.646 8.646 8.168 0.478 18716 6257 1 11 . 1 1 17 17 GLU N N 17 127.710 127.710 116.683 11.027 18716 6258 1 11 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.339 0.352 18716 6259 1 11 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.770 -2.001 18716 6260 1 11 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.486 0.259 18716 6261 1 11 . 1 1 17 17 GLU H H 17 7.571 7.571 8.294 -0.723 18716 6262 1 11 . 1 1 18 18 LYS N N 18 115.790 115.790 119.033 -3.243 18716 6263 1 11 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.186 0.311 18716 6264 1 11 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.797 -2.228 18716 6265 1 11 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.275 0.664 18716 6266 1 11 . 1 1 18 18 LYS H H 18 7.456 7.456 7.358 0.098 18716 6267 1 11 . 1 1 19 19 ILE N N 19 124.228 124.228 121.084 3.144 18716 6268 1 11 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.056 -0.499 18716 6269 1 11 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.557 -0.437 18716 6270 1 11 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.710 0.472 18716 6271 1 11 . 1 1 19 19 ILE H H 19 7.633 7.633 8.119 -0.486 18716 6272 1 11 . 1 1 20 20 ARG N N 20 125.790 125.790 124.500 1.290 18716 6273 1 11 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.410 0.018 18716 6274 1 11 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.370 1.125 18716 6275 1 11 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.610 -0.073 18716 6276 1 11 . 1 1 20 20 ARG H H 20 8.031 8.031 8.305 -0.274 18716 6277 1 11 . 1 1 21 21 LEU N N 21 120.165 120.165 120.023 0.142 18716 6278 1 11 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.691 -0.260 18716 6279 1 11 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.864 1.371 18716 6280 1 11 . 1 1 21 21 LEU CB C 21 41.554 41.554 41.867 -0.313 18716 6281 1 11 . 1 1 21 21 LEU H H 21 7.810 7.810 7.928 -0.118 18716 6282 1 11 . 1 1 22 22 ARG N N 22 119.540 119.540 114.464 5.076 18716 6283 1 11 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.619 0.226 18716 6284 1 11 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.886 -1.042 18716 6285 1 11 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.128 -0.511 18716 6286 1 11 . 1 1 22 22 ARG H H 22 8.974 8.974 7.487 1.487 18716 6287 1 11 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.547 -0.187 18716 6288 1 11 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.163 -0.727 18716 6289 1 11 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.287 -0.722 18716 6290 1 11 . 1 1 24 24 GLY N N 24 112.665 112.665 106.197 6.468 18716 6291 1 11 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.315 1.490 18716 6292 1 11 . 1 1 24 24 GLY H H 24 9.138 9.138 7.924 1.214 18716 6293 1 11 . 1 1 25 25 GLY N N 25 107.978 107.978 107.220 0.758 18716 6294 1 11 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.409 0.163 18716 6295 1 11 . 1 1 25 25 GLY H H 25 8.134 8.134 7.300 0.834 18716 6296 1 11 . 1 1 26 26 LYS N N 26 117.665 117.665 118.054 -0.389 18716 6297 1 11 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.398 -0.134 18716 6298 1 11 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.182 0.671 18716 6299 1 11 . 1 1 26 26 LYS CB C 26 34.056 34.056 33.769 0.287 18716 6300 1 11 . 1 1 26 26 LYS H H 26 8.665 8.665 8.137 0.528 18716 6301 1 11 . 1 1 27 27 LYS N N 27 117.925 117.925 123.177 -5.252 18716 6302 1 11 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.091 0.220 18716 6303 1 11 . 1 1 27 27 LYS CA C 27 57.211 57.211 56.676 0.535 18716 6304 1 11 . 1 1 27 27 LYS CB C 27 33.878 33.878 31.593 2.285 18716 6305 1 11 . 1 1 27 27 LYS H H 27 7.817 7.817 8.048 -0.231 18716 6306 1 11 . 1 1 28 28 GLN N N 28 122.978 122.978 122.286 0.692 18716 6307 1 11 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.166 0.650 18716 6308 1 11 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.680 -1.207 18716 6309 1 11 . 1 1 28 28 GLN CB C 28 34.054 34.054 29.858 4.196 18716 6310 1 11 . 1 1 28 28 GLN H H 28 8.458 8.458 8.253 0.205 18716 6311 1 11 . 1 1 29 29 TYR N N 29 119.540 119.540 119.399 0.141 18716 6312 1 11 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.441 -0.709 18716 6313 1 11 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.883 1.127 18716 6314 1 11 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.384 -2.168 18716 6315 1 11 . 1 1 29 29 TYR H H 29 7.824 7.824 8.279 -0.455 18716 6316 1 11 . 1 1 30 30 LYS N N 30 117.978 117.978 120.676 -2.698 18716 6317 1 11 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.926 0.290 18716 6318 1 11 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.442 -1.377 18716 6319 1 11 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.128 2.460 18716 6320 1 11 . 1 1 30 30 LYS H H 30 10.610 10.610 9.100 1.510 18716 6321 1 11 . 1 1 31 31 LEU N N 31 128.602 128.602 124.337 4.265 18716 6322 1 11 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.062 0.119 18716 6323 1 11 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.159 1.075 18716 6324 1 11 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.790 -0.788 18716 6325 1 11 . 1 1 31 31 LEU H H 31 9.991 9.991 8.804 1.187 18716 6326 1 11 . 1 1 32 32 LYS N N 32 115.165 115.165 119.331 -4.166 18716 6327 1 11 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.939 0.206 18716 6328 1 11 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.239 -0.142 18716 6329 1 11 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.895 -0.336 18716 6330 1 11 . 1 1 32 32 LYS H H 32 8.399 8.399 8.584 -0.185 18716 6331 1 11 . 1 1 33 33 HIS N N 33 119.540 119.540 116.753 2.787 18716 6332 1 11 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.714 -0.110 18716 6333 1 11 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.455 3.436 18716 6334 1 11 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.591 2.193 18716 6335 1 11 . 1 1 33 33 HIS H H 33 8.193 8.193 7.959 0.234 18716 6336 1 11 . 1 1 34 34 ILE N N 34 119.540 119.540 120.847 -1.307 18716 6337 1 11 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.930 -0.136 18716 6338 1 11 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.828 -0.980 18716 6339 1 11 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.722 -0.744 18716 6340 1 11 . 1 1 34 34 ILE H H 34 7.898 7.898 7.537 0.361 18716 6341 1 11 . 1 1 35 35 VAL N N 35 122.040 122.040 119.199 2.841 18716 6342 1 11 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.865 -0.253 18716 6343 1 11 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.482 0.264 18716 6344 1 11 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.475 0.667 18716 6345 1 11 . 1 1 35 35 VAL H H 35 7.706 7.706 8.563 -0.857 18716 6346 1 11 . 1 1 36 36 TRP N N 36 119.986 119.986 122.434 -2.448 18716 6347 1 11 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.235 -0.002 18716 6348 1 11 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.092 0.018 18716 6349 1 11 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.304 -0.892 18716 6350 1 11 . 1 1 36 36 TRP H H 36 8.452 8.452 7.652 0.800 18716 6351 1 11 . 1 1 37 37 ALA N N 37 120.478 120.478 120.050 0.428 18716 6352 1 11 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.494 -0.102 18716 6353 1 11 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.152 -0.015 18716 6354 1 11 . 1 1 37 37 ALA CB C 37 17.430 17.430 17.987 -0.557 18716 6355 1 11 . 1 1 37 37 ALA H H 37 8.311 8.311 8.220 0.091 18716 6356 1 11 . 1 1 38 38 SER N N 38 111.415 111.415 113.825 -2.410 18716 6357 1 11 . 1 1 38 38 SER HA H 38 3.906 3.906 4.041 -0.135 18716 6358 1 11 . 1 1 38 38 SER CA C 38 62.801 62.801 61.597 1.204 18716 6359 1 11 . 1 1 38 38 SER CB C 38 62.829 62.829 62.849 -0.020 18716 6360 1 11 . 1 1 38 38 SER H H 38 8.259 8.259 7.755 0.504 18716 6361 1 11 . 1 1 39 39 ARG N N 39 119.852 119.852 121.361 -1.509 18716 6362 1 11 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.050 0.096 18716 6363 1 11 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.083 -0.673 18716 6364 1 11 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.240 -0.232 18716 6365 1 11 . 1 1 39 39 ARG H H 39 7.559 7.559 7.591 -0.032 18716 6366 1 11 . 1 1 40 40 GLU N N 40 121.102 121.102 119.350 1.752 18716 6367 1 11 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.720 0.067 18716 6368 1 11 . 1 1 40 40 GLU CA C 40 58.281 58.281 59.026 -0.746 18716 6369 1 11 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.691 0.983 18716 6370 1 11 . 1 1 40 40 GLU H H 40 8.222 8.222 7.472 0.750 18716 6371 1 11 . 1 1 41 41 LEU N N 41 117.040 117.040 119.875 -2.835 18716 6372 1 11 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.020 -0.060 18716 6373 1 11 . 1 1 41 41 LEU CA C 41 58.297 58.297 58.182 0.115 18716 6374 1 11 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.821 -1.641 18716 6375 1 11 . 1 1 41 41 LEU H H 41 8.016 8.016 8.196 -0.180 18716 6376 1 11 . 1 1 42 42 GLU N N 42 117.352 117.352 118.120 -0.768 18716 6377 1 11 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.101 0.026 18716 6378 1 11 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.218 0.353 18716 6379 1 11 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.127 0.538 18716 6380 1 11 . 1 1 42 42 GLU H H 42 7.559 7.559 7.558 0.001 18716 6381 1 11 . 1 1 43 43 ARG N N 43 119.540 119.540 118.561 0.979 18716 6382 1 11 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.016 0.011 18716 6383 1 11 . 1 1 43 43 ARG CA C 43 58.601 58.601 57.865 0.736 18716 6384 1 11 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.894 -0.229 18716 6385 1 11 . 1 1 43 43 ARG H H 43 7.647 7.647 7.261 0.386 18716 6386 1 11 . 1 1 44 44 PHE N N 44 117.665 117.665 118.177 -0.512 18716 6387 1 11 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.626 -0.010 18716 6388 1 11 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.903 0.522 18716 6389 1 11 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.099 1.054 18716 6390 1 11 . 1 1 44 44 PHE H H 44 7.529 7.529 7.637 -0.108 18716 6391 1 11 . 1 1 45 45 ALA N N 45 118.915 118.915 119.282 -0.367 18716 6392 1 11 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.931 0.084 18716 6393 1 11 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.272 0.142 18716 6394 1 11 . 1 1 45 45 ALA CB C 45 16.281 16.281 16.842 -0.561 18716 6395 1 11 . 1 1 45 45 ALA H H 45 7.928 7.928 7.595 0.333 18716 6396 1 11 . 1 1 46 46 VAL N N 46 119.540 119.540 118.525 1.015 18716 6397 1 11 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.161 -0.066 18716 6398 1 11 . 1 1 46 46 VAL CA C 46 60.789 60.789 61.011 -0.222 18716 6399 1 11 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.561 -0.141 18716 6400 1 11 . 1 1 46 46 VAL H H 46 7.765 7.765 7.622 0.143 18716 6401 1 11 . 1 1 47 47 ASN N N 47 125.790 125.790 126.798 -1.008 18716 6402 1 11 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.739 -0.093 18716 6403 1 11 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.063 -1.066 18716 6404 1 11 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.399 0.687 18716 6405 1 11 . 1 1 47 47 ASN H H 47 8.399 8.399 8.858 -0.459 18716 6406 1 11 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.407 -0.185 18716 6407 1 11 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.244 0.070 18716 6408 1 11 . 1 1 48 48 PRO CB C 48 31.740 31.740 32.002 -0.262 18716 6409 1 11 . 1 1 49 49 GLY N N 49 108.290 108.290 106.764 1.526 18716 6410 1 11 . 1 1 49 49 GLY CA C 49 46.530 46.530 45.117 1.413 18716 6411 1 11 . 1 1 49 49 GLY H H 49 8.620 8.620 8.254 0.366 18716 6412 1 11 . 1 1 50 50 LEU N N 50 121.728 121.728 120.180 1.548 18716 6413 1 11 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.589 -0.452 18716 6414 1 11 . 1 1 50 50 LEU CA C 50 57.299 57.299 54.245 3.054 18716 6415 1 11 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.383 0.180 18716 6416 1 11 . 1 1 50 50 LEU H H 50 7.765 7.765 7.286 0.479 18716 6417 1 11 . 1 1 51 51 LEU N N 51 112.040 112.040 116.746 -4.706 18716 6418 1 11 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.537 -0.311 18716 6419 1 11 . 1 1 51 51 LEU CA C 51 56.507 56.507 55.448 1.059 18716 6420 1 11 . 1 1 51 51 LEU CB C 51 42.490 42.490 43.861 -1.371 18716 6421 1 11 . 1 1 51 51 LEU H H 51 7.412 7.412 7.383 0.029 18716 6422 1 11 . 1 1 52 52 GLU N N 52 114.540 114.540 118.207 -3.667 18716 6423 1 11 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.222 -0.167 18716 6424 1 11 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.359 2.025 18716 6425 1 11 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.353 1.705 18716 6426 1 11 . 1 1 52 52 GLU H H 52 7.500 7.500 8.009 -0.509 18716 6427 1 11 . 1 1 53 53 THR N N 53 122.978 122.978 110.558 12.420 18716 6428 1 11 . 1 1 53 53 THR HA H 53 4.402 4.402 4.457 -0.055 18716 6429 1 11 . 1 1 53 53 THR CA C 53 58.306 58.306 60.409 -2.103 18716 6430 1 11 . 1 1 53 53 THR CB C 53 73.222 73.222 72.094 1.128 18716 6431 1 11 . 1 1 53 53 THR H H 53 7.235 7.235 7.411 -0.176 18716 6432 1 11 . 1 1 54 54 SER N N 54 119.228 119.228 122.168 -2.940 18716 6433 1 11 . 1 1 54 54 SER HA H 54 4.043 4.043 4.297 -0.254 18716 6434 1 11 . 1 1 54 54 SER CA C 54 62.657 62.657 61.571 1.086 18716 6435 1 11 . 1 1 54 54 SER CB C 54 62.562 62.562 62.890 -0.328 18716 6436 1 11 . 1 1 54 54 SER H H 54 9.313 9.313 8.913 0.400 18716 6437 1 11 . 1 1 55 55 GLU N N 55 121.233 121.233 121.130 0.103 18716 6438 1 11 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.322 -0.253 18716 6439 1 11 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.578 1.097 18716 6440 1 11 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.617 -0.618 18716 6441 1 11 . 1 1 55 55 GLU H H 55 8.975 8.975 8.476 0.499 18716 6442 1 11 . 1 1 56 56 GLY N N 56 110.790 110.790 108.686 2.104 18716 6443 1 11 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.294 0.572 18716 6444 1 11 . 1 1 56 56 GLY H H 56 8.517 8.517 8.249 0.268 18716 6445 1 11 . 1 1 57 57 CYS N N 57 118.602 118.602 119.408 -0.806 18716 6446 1 11 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.238 -0.214 18716 6447 1 11 . 1 1 57 57 CYS CA C 57 64.602 64.602 62.842 1.760 18716 6448 1 11 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.893 19.902 18716 6449 1 11 . 1 1 57 57 CYS H H 57 8.134 8.134 8.390 -0.256 18716 6450 1 11 . 1 1 58 58 ARG N N 58 119.540 119.540 119.776 -0.236 18716 6451 1 11 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.506 0.044 18716 6452 1 11 . 1 1 58 58 ARG CA C 58 59.707 59.707 58.752 0.956 18716 6453 1 11 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.792 -0.343 18716 6454 1 11 . 1 1 58 58 ARG H H 58 8.488 8.488 7.579 0.909 18716 6455 1 11 . 1 1 59 59 GLN N N 59 119.852 119.852 119.359 0.493 18716 6456 1 11 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.041 0.011 18716 6457 1 11 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.978 0.422 18716 6458 1 11 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.601 -0.367 18716 6459 1 11 . 1 1 59 59 GLN H H 59 8.016 8.016 7.803 0.213 18716 6460 1 11 . 1 1 60 60 ILE N N 60 120.790 120.790 118.999 1.791 18716 6461 1 11 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.718 -0.106 18716 6462 1 11 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.147 0.504 18716 6463 1 11 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.722 0.128 18716 6464 1 11 . 1 1 60 60 ILE H H 60 8.163 8.163 8.139 0.024 18716 6465 1 11 . 1 1 61 61 LEU N N 61 118.915 118.915 118.344 0.571 18716 6466 1 11 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.273 -0.378 18716 6467 1 11 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.207 1.447 18716 6468 1 11 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.053 -0.277 18716 6469 1 11 . 1 1 61 61 LEU H H 61 8.370 8.370 7.454 0.916 18716 6470 1 11 . 1 1 62 62 GLY N N 62 104.332 104.332 107.489 -3.157 18716 6471 1 11 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.874 0.310 18716 6472 1 11 . 1 1 62 62 GLY H H 62 7.883 7.883 7.778 0.105 18716 6473 1 11 . 1 1 63 63 GLN N N 63 119.852 119.852 120.112 -0.260 18716 6474 1 11 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.277 -0.129 18716 6475 1 11 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.490 0.383 18716 6476 1 11 . 1 1 63 63 GLN CB C 63 29.115 29.115 28.955 0.160 18716 6477 1 11 . 1 1 63 63 GLN H H 63 7.795 7.795 7.630 0.165 18716 6478 1 11 . 1 1 64 64 LEU N N 64 117.040 117.040 120.077 -3.037 18716 6479 1 11 . 1 1 64 64 LEU HA H 64 4.258 4.258 3.977 0.281 18716 6480 1 11 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.972 -0.789 18716 6481 1 11 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.728 2.470 18716 6482 1 11 . 1 1 64 64 LEU H H 64 8.252 8.252 7.997 0.255 18716 6483 1 11 . 1 1 65 65 GLN N N 65 118.915 118.915 119.213 -0.298 18716 6484 1 11 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.727 0.052 18716 6485 1 11 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.289 1.258 18716 6486 1 11 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.344 -0.480 18716 6487 1 11 . 1 1 65 65 GLN H H 65 8.104 8.104 8.115 -0.011 18716 6488 1 11 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.330 0.053 18716 6489 1 11 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.815 1.102 18716 6490 1 11 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.091 0.008 18716 6491 1 11 . 1 1 67 67 SER N N 67 111.415 111.415 114.171 -2.756 18716 6492 1 11 . 1 1 67 67 SER HA H 67 4.493 4.493 4.308 0.185 18716 6493 1 11 . 1 1 67 67 SER CA C 67 59.696 59.696 60.599 -0.903 18716 6494 1 11 . 1 1 67 67 SER CB C 67 64.031 64.031 63.138 0.893 18716 6495 1 11 . 1 1 67 67 SER H H 67 7.824 7.824 7.388 0.436 18716 6496 1 11 . 1 1 68 68 LEU N N 68 121.102 121.102 121.265 -0.163 18716 6497 1 11 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.804 0.012 18716 6498 1 11 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.893 0.055 18716 6499 1 11 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.501 0.268 18716 6500 1 11 . 1 1 68 68 LEU H H 68 7.647 7.647 7.880 -0.233 18716 6501 1 11 . 1 1 69 69 GLN N N 69 116.415 116.415 118.636 -2.221 18716 6502 1 11 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.009 0.060 18716 6503 1 11 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.303 0.168 18716 6504 1 11 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.599 -0.171 18716 6505 1 11 . 1 1 69 69 GLN H H 69 8.060 8.060 8.349 -0.289 18716 6506 1 11 . 1 1 70 70 THR N N 70 106.728 106.728 113.083 -6.355 18716 6507 1 11 . 1 1 70 70 THR HA H 70 4.481 4.481 4.482 -0.001 18716 6508 1 11 . 1 1 70 70 THR CA C 70 61.291 61.291 61.406 -0.115 18716 6509 1 11 . 1 1 70 70 THR CB C 70 69.415 69.415 68.824 0.591 18716 6510 1 11 . 1 1 70 70 THR H H 70 7.515 7.515 7.548 -0.033 18716 6511 1 11 . 1 1 71 71 GLY N N 71 109.540 109.540 109.744 -0.204 18716 6512 1 11 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.095 1.458 18716 6513 1 11 . 1 1 71 71 GLY H H 71 7.692 7.692 7.472 0.220 18716 6514 1 11 . 1 1 72 72 SER N N 72 114.540 114.540 113.870 0.670 18716 6515 1 11 . 1 1 72 72 SER HA H 72 4.625 4.625 4.804 -0.179 18716 6516 1 11 . 1 1 72 72 SER CA C 72 57.319 57.319 57.092 0.227 18716 6517 1 11 . 1 1 72 72 SER CB C 72 64.599 64.599 65.749 -1.150 18716 6518 1 11 . 1 1 72 72 SER H H 72 8.045 8.045 8.130 -0.085 18716 6519 1 11 . 1 1 73 73 GLU N N 73 124.228 124.228 119.492 4.736 18716 6520 1 11 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.049 0.038 18716 6521 1 11 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.722 -0.342 18716 6522 1 11 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.328 -0.026 18716 6523 1 11 . 1 1 73 73 GLU H H 73 9.092 9.092 8.911 0.181 18716 6524 1 11 . 1 1 74 74 GLU N N 74 120.165 120.165 119.689 0.476 18716 6525 1 11 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.342 -0.084 18716 6526 1 11 . 1 1 74 74 GLU CA C 74 60.306 60.306 58.831 1.475 18716 6527 1 11 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.794 -0.333 18716 6528 1 11 . 1 1 74 74 GLU H H 74 8.665 8.665 7.762 0.903 18716 6529 1 11 . 1 1 75 75 LEU N N 75 121.415 121.415 120.530 0.885 18716 6530 1 11 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.051 0.132 18716 6531 1 11 . 1 1 75 75 LEU CA C 75 57.932 57.932 57.984 -0.052 18716 6532 1 11 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.004 -0.826 18716 6533 1 11 . 1 1 75 75 LEU H H 75 7.765 7.765 7.977 -0.212 18716 6534 1 11 . 1 1 76 76 ARG N N 76 119.228 119.228 119.606 -0.378 18716 6535 1 11 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.012 -0.079 18716 6536 1 11 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.028 -0.346 18716 6537 1 11 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.034 -0.837 18716 6538 1 11 . 1 1 76 76 ARG H H 76 7.868 7.868 7.961 -0.093 18716 6539 1 11 . 1 1 77 77 SER N N 77 114.228 114.228 116.064 -1.836 18716 6540 1 11 . 1 1 77 77 SER HA H 77 4.263 4.263 4.128 0.135 18716 6541 1 11 . 1 1 77 77 SER CA C 77 62.668 62.668 61.963 0.705 18716 6542 1 11 . 1 1 77 77 SER CB C 77 62.849 62.849 63.029 -0.180 18716 6543 1 11 . 1 1 77 77 SER H H 77 8.576 8.576 7.725 0.851 18716 6544 1 11 . 1 1 78 78 LEU N N 78 125.790 125.790 123.072 2.718 18716 6545 1 11 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.292 0.129 18716 6546 1 11 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.367 0.595 18716 6547 1 11 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.895 0.023 18716 6548 1 11 . 1 1 78 78 LEU H H 78 8.458 8.458 7.813 0.645 18716 6549 1 11 . 1 1 79 79 TYR N N 79 119.852 119.852 119.533 0.319 18716 6550 1 11 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.056 -0.395 18716 6551 1 11 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.667 1.135 18716 6552 1 11 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.402 0.792 18716 6553 1 11 . 1 1 79 79 TYR H H 79 8.694 8.694 8.588 0.106 18716 6554 1 11 . 1 1 80 80 ASN N N 80 117.040 117.040 117.412 -0.372 18716 6555 1 11 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.534 -0.250 18716 6556 1 11 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.312 -0.525 18716 6557 1 11 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.132 -0.293 18716 6558 1 11 . 1 1 80 80 ASN H H 80 8.871 8.871 8.667 0.204 18716 6559 1 11 . 1 1 81 81 THR N N 81 115.790 115.790 118.995 -3.205 18716 6560 1 11 . 1 1 81 81 THR HA H 81 3.945 3.945 4.301 -0.356 18716 6561 1 11 . 1 1 81 81 THR CA C 81 67.855 67.855 67.583 0.272 18716 6562 1 11 . 1 1 81 81 THR CB C 81 69.140 69.140 69.214 -0.074 18716 6563 1 11 . 1 1 81 81 THR H H 81 8.119 8.119 8.131 -0.012 18716 6564 1 11 . 1 1 82 82 ILE N N 82 121.102 121.102 121.059 0.043 18716 6565 1 11 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.766 -0.098 18716 6566 1 11 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.618 -1.097 18716 6567 1 11 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.405 -0.919 18716 6568 1 11 . 1 1 82 82 ILE H H 82 8.090 8.090 8.664 -0.574 18716 6569 1 11 . 1 1 83 83 ALA N N 83 125.165 125.165 123.067 2.098 18716 6570 1 11 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.921 -0.030 18716 6571 1 11 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.235 0.620 18716 6572 1 11 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.855 -0.014 18716 6573 1 11 . 1 1 83 83 ALA H H 83 8.782 8.782 7.305 1.477 18716 6574 1 11 . 1 1 84 84 VAL N N 84 117.665 117.665 119.255 -1.590 18716 6575 1 11 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.526 -0.198 18716 6576 1 11 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.324 1.141 18716 6577 1 11 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.289 -0.594 18716 6578 1 11 . 1 1 84 84 VAL H H 84 7.795 7.795 7.497 0.298 18716 6579 1 11 . 1 1 85 85 LEU N N 85 122.040 122.040 120.699 1.341 18716 6580 1 11 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.975 -0.160 18716 6581 1 11 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.476 0.834 18716 6582 1 11 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.730 0.418 18716 6583 1 11 . 1 1 85 85 LEU H H 85 8.163 8.163 8.118 0.045 18716 6584 1 11 . 1 1 86 86 TYR N N 86 118.915 118.915 120.689 -1.774 18716 6585 1 11 . 1 1 86 86 TYR HA H 86 3.912 3.912 3.989 -0.077 18716 6586 1 11 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.146 1.672 18716 6587 1 11 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.812 0.475 18716 6588 1 11 . 1 1 86 86 TYR H H 86 9.062 9.062 8.059 1.003 18716 6589 1 11 . 1 1 87 87 CYS N N 87 116.102 116.102 116.292 -0.190 18716 6590 1 11 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.641 0.153 18716 6591 1 11 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.181 1.785 18716 6592 1 11 . 1 1 87 87 CYS CB C 87 46.557 46.557 27.293 19.264 18716 6593 1 11 . 1 1 87 87 CYS H H 87 7.515 7.515 8.328 -0.813 18716 6594 1 11 . 1 1 88 88 VAL N N 88 119.978 119.978 119.317 0.661 18716 6595 1 11 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.885 -0.007 18716 6596 1 11 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.511 0.910 18716 6597 1 11 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.095 0.492 18716 6598 1 11 . 1 1 88 88 VAL H H 88 8.429 8.429 7.301 1.128 18716 6599 1 11 . 1 1 89 89 HIS N N 89 118.915 118.915 115.181 3.734 18716 6600 1 11 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.519 0.356 18716 6601 1 11 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.671 0.449 18716 6602 1 11 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.120 -0.037 18716 6603 1 11 . 1 1 89 89 HIS H H 89 8.797 8.797 7.247 1.550 18716 6604 1 11 . 1 1 90 90 GLN N N 90 116.728 116.728 117.903 -1.175 18716 6605 1 11 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.267 0.118 18716 6606 1 11 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.655 0.634 18716 6607 1 11 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.794 2.158 18716 6608 1 11 . 1 1 90 90 GLN H H 90 7.986 7.986 7.314 0.672 18716 6609 1 11 . 1 1 91 91 ARG N N 91 115.165 115.165 115.621 -0.456 18716 6610 1 11 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.918 0.095 18716 6611 1 11 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.127 0.056 18716 6612 1 11 . 1 1 91 91 ARG CB C 91 26.049 26.049 26.918 -0.869 18716 6613 1 11 . 1 1 91 91 ARG H H 91 7.883 7.883 7.615 0.268 18716 6614 1 11 . 1 1 92 92 ILE N N 92 120.087 120.087 120.065 0.022 18716 6615 1 11 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.209 -0.224 18716 6616 1 11 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.215 0.440 18716 6617 1 11 . 1 1 92 92 ILE CB C 92 38.930 38.930 39.792 -0.862 18716 6618 1 11 . 1 1 92 92 ILE H H 92 8.335 8.335 8.051 0.284 18716 6619 1 11 . 1 1 93 93 ASP N N 93 129.228 129.228 126.401 2.827 18716 6620 1 11 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.867 -0.382 18716 6621 1 11 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.656 2.387 18716 6622 1 11 . 1 1 93 93 ASP CB C 93 40.396 40.396 41.145 -0.749 18716 6623 1 11 . 1 1 93 93 ASP H H 93 8.620 8.620 8.617 0.003 18716 6624 1 11 . 1 1 94 94 VAL N N 94 115.790 115.790 120.415 -4.625 18716 6625 1 11 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.459 0.174 18716 6626 1 11 . 1 1 94 94 VAL CA C 94 59.120 59.120 60.644 -1.524 18716 6627 1 11 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.282 1.230 18716 6628 1 11 . 1 1 94 94 VAL H H 94 7.751 7.751 8.104 -0.353 18716 6629 1 11 . 1 1 95 95 LYS N N 95 118.915 118.915 118.607 0.308 18716 6630 1 11 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.500 -0.107 18716 6631 1 11 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.138 -0.467 18716 6632 1 11 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.923 0.085 18716 6633 1 11 . 1 1 95 95 LYS H H 95 9.239 9.239 8.470 0.769 18716 6634 1 11 . 1 1 96 96 ASP N N 96 112.040 112.040 114.736 -2.696 18716 6635 1 11 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.273 0.289 18716 6636 1 11 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.599 0.230 18716 6637 1 11 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.242 1.362 18716 6638 1 11 . 1 1 96 96 ASP H H 96 7.412 7.412 7.651 -0.239 18716 6639 1 11 . 1 1 97 97 THR N N 97 109.540 109.540 114.659 -5.119 18716 6640 1 11 . 1 1 97 97 THR HA H 97 3.661 3.661 3.968 -0.307 18716 6641 1 11 . 1 1 97 97 THR CA C 97 65.947 65.947 67.165 -1.218 18716 6642 1 11 . 1 1 97 97 THR CB C 97 70.285 70.285 68.926 1.359 18716 6643 1 11 . 1 1 97 97 THR H H 97 7.250 7.250 8.235 -0.985 18716 6644 1 11 . 1 1 98 98 LYS N N 98 121.102 121.102 122.551 -1.449 18716 6645 1 11 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.936 0.009 18716 6646 1 11 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.779 -0.151 18716 6647 1 11 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.018 -0.091 18716 6648 1 11 . 1 1 98 98 LYS H H 98 7.868 7.868 8.267 -0.399 18716 6649 1 11 . 1 1 99 99 GLU N N 99 119.228 119.228 118.803 0.425 18716 6650 1 11 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.030 0.047 18716 6651 1 11 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.210 0.585 18716 6652 1 11 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.558 0.688 18716 6653 1 11 . 1 1 99 99 GLU H H 99 8.384 8.384 8.573 -0.189 18716 6654 1 11 . 1 1 100 100 ALA N N 100 118.915 118.915 122.674 -3.759 18716 6655 1 11 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.063 0.323 18716 6656 1 11 . 1 1 100 100 ALA CA C 100 55.396 55.396 55.078 0.318 18716 6657 1 11 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.518 1.241 18716 6658 1 11 . 1 1 100 100 ALA H H 100 7.382 7.382 7.498 -0.116 18716 6659 1 11 . 1 1 101 101 LEU N N 101 117.978 117.978 117.431 0.547 18716 6660 1 11 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.937 0.083 18716 6661 1 11 . 1 1 101 101 LEU CA C 101 57.975 57.975 58.278 -0.303 18716 6662 1 11 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.366 0.127 18716 6663 1 11 . 1 1 101 101 LEU H H 101 8.119 8.119 7.878 0.241 18716 6664 1 11 . 1 1 102 102 ASP N N 102 120.478 120.478 120.229 0.249 18716 6665 1 11 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.386 -0.019 18716 6666 1 11 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.733 -0.381 18716 6667 1 11 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.831 -1.109 18716 6668 1 11 . 1 1 102 102 ASP H H 102 8.679 8.679 7.910 0.769 18716 6669 1 11 . 1 1 103 103 LYS N N 103 120.165 120.165 119.633 0.532 18716 6670 1 11 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.060 0.104 18716 6671 1 11 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.399 -1.035 18716 6672 1 11 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.464 -0.932 18716 6673 1 11 . 1 1 103 103 LYS H H 103 8.207 8.207 7.842 0.365 18716 6674 1 11 . 1 1 104 104 ILE N N 104 119.852 119.852 120.419 -0.567 18716 6675 1 11 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.819 -0.009 18716 6676 1 11 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.492 -0.884 18716 6677 1 11 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.189 -0.755 18716 6678 1 11 . 1 1 104 104 ILE H H 104 8.163 8.163 7.713 0.450 18716 6679 1 11 . 1 1 105 105 GLU N N 105 121.415 121.415 120.026 1.389 18716 6680 1 11 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.933 0.102 18716 6681 1 11 . 1 1 105 105 GLU CA C 105 59.634 59.634 60.363 -0.729 18716 6682 1 11 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.248 3.508 18716 6683 1 11 . 1 1 105 105 GLU H H 105 8.001 8.001 8.483 -0.482 18716 6684 1 11 . 1 1 106 106 GLU N N 106 119.228 119.228 118.293 0.935 18716 6685 1 11 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.111 -0.021 18716 6686 1 11 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.780 -0.513 18716 6687 1 11 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.575 0.022 18716 6688 1 11 . 1 1 106 106 GLU H H 106 8.031 8.031 8.265 -0.234 18716 6689 1 11 . 1 1 107 107 GLU N N 107 118.915 118.915 119.295 -0.380 18716 6690 1 11 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.180 -0.107 18716 6691 1 11 . 1 1 107 107 GLU CA C 107 59.341 59.341 58.993 0.348 18716 6692 1 11 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.361 0.509 18716 6693 1 11 . 1 1 107 107 GLU H H 107 8.016 8.016 7.526 0.490 18716 6694 1 11 . 1 1 108 108 GLN N N 108 118.290 118.290 119.109 -0.819 18716 6695 1 11 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.103 0.044 18716 6696 1 11 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.675 -0.268 18716 6697 1 11 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.590 0.255 18716 6698 1 11 . 1 1 108 108 GLN H H 108 8.252 8.252 8.345 -0.093 18716 6699 1 11 . 1 1 109 109 ASN N N 109 118.290 118.290 117.614 0.676 18716 6700 1 11 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.396 0.221 18716 6701 1 11 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.697 -1.815 18716 6702 1 11 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.625 -0.100 18716 6703 1 11 . 1 1 109 109 ASN H H 109 8.252 8.252 7.869 0.383 18716 6704 1 11 . 1 1 110 110 LYS N N 110 120.478 120.478 118.818 1.660 18716 6705 1 11 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.043 0.187 18716 6706 1 11 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.512 -1.201 18716 6707 1 11 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.509 0.182 18716 6708 1 11 . 1 1 110 110 LYS H H 110 8.031 8.031 7.490 0.541 18716 6709 1 11 . 1 1 111 111 SER N N 111 114.540 114.540 115.149 -0.609 18716 6710 1 11 . 1 1 111 111 SER HA H 111 4.368 4.368 4.157 0.211 18716 6711 1 11 . 1 1 111 111 SER CA C 111 59.764 59.764 61.317 -1.553 18716 6712 1 11 . 1 1 111 111 SER CB C 111 63.442 63.442 63.051 0.391 18716 6713 1 11 . 1 1 111 111 SER H H 111 8.031 8.031 7.799 0.232 18716 6714 1 11 . 1 1 112 112 LYS N N 112 122.040 122.040 120.978 1.062 18716 6715 1 11 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.118 0.127 18716 6716 1 11 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.456 -1.127 18716 6717 1 11 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.346 0.429 18716 6718 1 11 . 1 1 112 112 LYS H H 112 7.957 7.957 7.769 0.188 18716 6719 1 11 . 1 1 113 113 LYS N N 113 120.790 120.790 119.344 1.446 18716 6720 1 11 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.152 -0.002 18716 6721 1 11 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.452 0.682 18716 6722 1 11 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.486 0.280 18716 6723 1 11 . 1 1 113 113 LYS H H 113 8.016 8.016 7.582 0.434 18716 6724 1 11 . 1 1 114 114 LYS N N 114 121.728 121.728 119.773 1.955 18716 6725 1 11 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.050 0.213 18716 6726 1 11 . 1 1 114 114 LYS CA C 114 57.185 57.185 59.353 -2.168 18716 6727 1 11 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.515 0.342 18716 6728 1 11 . 1 1 114 114 LYS H H 114 8.119 8.119 8.042 0.077 18716 6729 1 11 . 1 1 115 115 ALA N N 115 124.228 124.228 120.010 4.218 18716 6730 1 11 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.155 0.113 18716 6731 1 11 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.601 -1.566 18716 6732 1 11 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.625 0.412 18716 6733 1 11 . 1 1 115 115 ALA H H 115 8.178 8.178 7.565 0.613 18716 6734 1 11 . 1 1 116 116 GLN N N 116 119.228 119.228 115.983 3.245 18716 6735 1 11 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.560 -0.312 18716 6736 1 11 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.401 1.148 18716 6737 1 11 . 1 1 116 116 GLN H H 116 8.237 8.237 7.650 0.587 18716 6738 1 11 . 1 1 117 117 GLN N N 117 120.478 120.478 119.870 0.608 18716 6739 1 11 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.370 -0.101 18716 6740 1 11 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.210 -0.886 18716 6741 1 11 . 1 1 117 117 GLN CB C 117 29.606 29.606 29.124 0.482 18716 6742 1 11 . 1 1 117 117 GLN H H 117 8.266 8.266 7.770 0.496 18716 6743 1 11 . 1 1 118 118 ALA N N 118 124.852 124.852 121.000 3.852 18716 6744 1 11 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.138 0.138 18716 6745 1 11 . 1 1 118 118 ALA CA C 118 52.837 52.837 54.163 -1.326 18716 6746 1 11 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.947 0.115 18716 6747 1 11 . 1 1 118 118 ALA H H 118 8.266 8.266 8.241 0.025 18716 6748 1 11 . 1 1 119 119 ALA N N 119 122.978 122.978 120.355 2.623 18716 6749 1 11 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.353 -0.059 18716 6750 1 11 . 1 1 119 119 ALA CA C 119 52.637 52.637 53.138 -0.501 18716 6751 1 11 . 1 1 119 119 ALA CB C 119 19.201 19.201 19.179 0.022 18716 6752 1 11 . 1 1 119 119 ALA H H 119 8.163 8.163 8.157 0.006 18716 6753 1 11 . 1 1 120 120 ALA N N 120 122.665 122.665 120.551 2.114 18716 6754 1 11 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.319 -0.042 18716 6755 1 11 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.447 0.289 18716 6756 1 11 . 1 1 120 120 ALA CB C 120 19.167 19.167 17.383 1.784 18716 6757 1 11 . 1 1 120 120 ALA H H 120 8.163 8.163 7.684 0.479 18716 6758 1 11 . 1 1 121 121 ASP N N 121 119.228 119.228 120.608 -1.380 18716 6759 1 11 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.626 0.056 18716 6760 1 11 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.620 -0.356 18716 6761 1 11 . 1 1 121 121 ASP CB C 121 41.128 41.128 42.270 -1.142 18716 6762 1 11 . 1 1 121 121 ASP H H 121 8.252 8.252 8.370 -0.118 18716 6763 1 11 . 1 1 122 122 THR N N 122 113.602 113.602 114.554 -0.952 18716 6764 1 11 . 1 1 122 122 THR HA H 122 4.358 4.358 3.983 0.375 18716 6765 1 11 . 1 1 122 122 THR CA C 122 61.971 61.971 63.322 -1.351 18716 6766 1 11 . 1 1 122 122 THR CB C 122 69.586 69.586 67.742 1.844 18716 6767 1 11 . 1 1 122 122 THR H H 122 8.075 8.075 7.905 0.170 18716 6768 1 11 . 1 1 123 123 GLY N N 123 110.478 110.478 108.183 2.295 18716 6769 1 11 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.328 0.275 18716 6770 1 11 . 1 1 123 123 GLY H H 123 8.414 8.414 8.351 0.063 18716 6771 1 11 . 1 1 124 124 ASN N N 124 118.602 118.602 118.324 0.278 18716 6772 1 11 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.707 -0.099 18716 6773 1 11 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.351 2.382 18716 6774 1 11 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.908 -2.370 18716 6775 1 11 . 1 1 124 124 ASN H H 124 8.266 8.266 8.476 -0.210 18716 6776 1 11 . 1 1 125 125 ASN N N 125 119.228 119.228 118.946 0.282 18716 6777 1 11 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.987 -0.263 18716 6778 1 11 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.045 0.408 18716 6779 1 11 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.051 -0.238 18716 6780 1 11 . 1 1 125 125 ASN H H 125 8.443 8.443 8.521 -0.078 18716 6781 1 11 . 1 1 126 126 SER N N 126 115.790 115.790 118.554 -2.764 18716 6782 1 11 . 1 1 126 126 SER HA H 126 4.388 4.388 4.500 -0.112 18716 6783 1 11 . 1 1 126 126 SER CA C 126 58.851 58.851 57.747 1.104 18716 6784 1 11 . 1 1 126 126 SER CB C 126 63.926 63.926 64.017 -0.091 18716 6785 1 11 . 1 1 126 126 SER H H 126 8.266 8.266 8.373 -0.107 18716 6786 1 11 . 1 1 127 127 GLN N N 127 121.728 121.728 120.777 0.951 18716 6787 1 11 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.312 0.011 18716 6788 1 11 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.623 0.600 18716 6789 1 11 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.108 0.060 18716 6790 1 11 . 1 1 127 127 GLN H H 127 8.355 8.355 8.276 0.079 18716 6791 1 11 . 1 1 128 128 VAL N N 128 119.852 119.852 122.411 -2.559 18716 6792 1 11 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.004 0.105 18716 6793 1 11 . 1 1 128 128 VAL CA C 128 62.665 62.665 63.328 -0.663 18716 6794 1 11 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.439 0.330 18716 6795 1 11 . 1 1 128 128 VAL H H 128 7.986 7.986 8.305 -0.319 18716 6796 1 11 . 1 1 129 129 SER N N 129 117.978 117.978 122.796 -4.818 18716 6797 1 11 . 1 1 129 129 SER HA H 129 4.136 4.136 4.344 -0.208 18716 6798 1 11 . 1 1 129 129 SER CA C 129 58.404 58.404 59.122 -0.718 18716 6799 1 11 . 1 1 129 129 SER CB C 129 63.755 63.755 63.625 0.130 18716 6800 1 11 . 1 1 129 129 SER H H 129 8.252 8.252 8.218 0.034 18716 6801 1 11 . 1 1 130 130 GLN N N 130 121.728 121.728 119.630 2.098 18716 6802 1 11 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.820 -0.465 18716 6803 1 11 . 1 1 130 130 GLN CA C 130 56.150 56.150 54.833 1.317 18716 6804 1 11 . 1 1 130 130 GLN CB C 130 29.373 29.373 30.960 -1.587 18716 6805 1 11 . 1 1 130 130 GLN H H 130 8.355 8.355 8.532 -0.177 18716 6806 1 11 . 1 1 131 131 ASN N N 131 118.290 118.290 117.545 0.745 18716 6807 1 11 . 1 1 131 131 ASN HA H 131 4.632 4.632 5.024 -0.392 18716 6808 1 11 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.769 0.799 18716 6809 1 11 . 1 1 131 131 ASN H H 131 8.252 8.252 8.531 -0.279 18716 6810 1 12 . 1 1 3 3 ALA N N 3 123.842 123.842 123.880 -0.038 18716 6811 1 12 . 1 1 3 3 ALA HA H 3 4.328 4.328 5.161 -0.833 18716 6812 1 12 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.647 0.890 18716 6813 1 12 . 1 1 3 3 ALA CB C 3 17.251 17.251 20.445 -3.195 18716 6814 1 12 . 1 1 3 3 ALA H H 3 8.183 8.183 8.470 -0.287 18716 6815 1 12 . 1 1 4 4 ARG N N 4 120.165 120.165 119.984 0.181 18716 6816 1 12 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.534 -0.278 18716 6817 1 12 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.475 -0.510 18716 6818 1 12 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.389 -0.428 18716 6819 1 12 . 1 1 4 4 ARG H H 4 8.429 8.429 8.622 -0.193 18716 6820 1 12 . 1 1 5 5 ALA N N 5 125.165 125.165 123.077 2.088 18716 6821 1 12 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.116 0.166 18716 6822 1 12 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.968 -0.598 18716 6823 1 12 . 1 1 5 5 ALA CB C 5 19.672 19.672 18.002 1.671 18716 6824 1 12 . 1 1 5 5 ALA H H 5 8.370 8.370 8.577 -0.207 18716 6825 1 12 . 1 1 6 6 SER N N 6 114.540 114.540 112.990 1.550 18716 6826 1 12 . 1 1 6 6 SER HA H 6 4.479 4.479 4.563 -0.084 18716 6827 1 12 . 1 1 6 6 SER CA C 6 57.804 57.804 56.833 0.971 18716 6828 1 12 . 1 1 6 6 SER CB C 6 64.034 64.034 65.272 -1.238 18716 6829 1 12 . 1 1 6 6 SER H H 6 8.134 8.134 7.900 0.234 18716 6830 1 12 . 1 1 7 7 VAL N N 7 121.415 121.415 119.533 1.882 18716 6831 1 12 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.200 -0.583 18716 6832 1 12 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.215 2.495 18716 6833 1 12 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.013 -0.077 18716 6834 1 12 . 1 1 7 7 VAL H H 7 8.119 8.119 8.260 -0.141 18716 6835 1 12 . 1 1 8 8 LEU N N 8 115.478 115.478 120.741 -5.263 18716 6836 1 12 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.728 0.186 18716 6837 1 12 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.520 -1.045 18716 6838 1 12 . 1 1 8 8 LEU CB C 8 44.314 44.314 42.499 1.815 18716 6839 1 12 . 1 1 8 8 LEU H H 8 7.382 7.382 7.602 -0.220 18716 6840 1 12 . 1 1 9 9 SER N N 9 118.290 118.290 120.032 -1.742 18716 6841 1 12 . 1 1 9 9 SER HA H 9 4.606 4.606 4.514 0.092 18716 6842 1 12 . 1 1 9 9 SER CA C 9 57.197 57.197 57.604 -0.407 18716 6843 1 12 . 1 1 9 9 SER CB C 9 65.426 65.426 65.294 0.132 18716 6844 1 12 . 1 1 9 9 SER H H 9 9.166 9.166 8.915 0.251 18716 6845 1 12 . 1 1 10 10 GLY N N 10 109.228 109.228 108.732 0.496 18716 6846 1 12 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.958 0.716 18716 6847 1 12 . 1 1 10 10 GLY H H 10 8.959 8.959 8.728 0.231 18716 6848 1 12 . 1 1 11 11 GLY N N 11 111.102 111.102 110.010 1.092 18716 6849 1 12 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.497 0.164 18716 6850 1 12 . 1 1 11 11 GLY H H 11 8.782 8.782 7.779 1.003 18716 6851 1 12 . 1 1 12 12 GLU N N 12 120.165 120.165 122.349 -2.184 18716 6852 1 12 . 1 1 12 12 GLU HA H 12 3.950 3.950 3.935 0.015 18716 6853 1 12 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.901 0.195 18716 6854 1 12 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.447 1.843 18716 6855 1 12 . 1 1 12 12 GLU H H 12 7.751 7.751 7.472 0.279 18716 6856 1 12 . 1 1 13 13 LEU N N 13 121.415 121.415 120.954 0.461 18716 6857 1 12 . 1 1 13 13 LEU HA H 13 4.108 4.108 3.949 0.159 18716 6858 1 12 . 1 1 13 13 LEU CA C 13 58.062 58.062 57.934 0.127 18716 6859 1 12 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.929 -0.993 18716 6860 1 12 . 1 1 13 13 LEU H H 13 8.340 8.340 8.610 -0.270 18716 6861 1 12 . 1 1 14 14 ASP N N 14 116.415 116.415 119.565 -3.150 18716 6862 1 12 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.367 0.026 18716 6863 1 12 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.706 -0.570 18716 6864 1 12 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.902 0.184 18716 6865 1 12 . 1 1 14 14 ASP H H 14 7.574 7.574 7.668 -0.094 18716 6866 1 12 . 1 1 15 15 LYS N N 15 115.478 115.478 119.959 -4.481 18716 6867 1 12 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.059 -0.013 18716 6868 1 12 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.243 -0.841 18716 6869 1 12 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.341 0.018 18716 6870 1 12 . 1 1 15 15 LYS H H 15 7.117 7.117 7.456 -0.339 18716 6871 1 12 . 1 1 16 16 TRP N N 16 121.693 121.693 121.411 0.282 18716 6872 1 12 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.090 -0.065 18716 6873 1 12 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.946 -0.660 18716 6874 1 12 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.433 1.680 18716 6875 1 12 . 1 1 16 16 TRP H H 16 8.646 8.646 8.632 0.014 18716 6876 1 12 . 1 1 17 17 GLU N N 17 127.710 127.710 115.845 11.865 18716 6877 1 12 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.379 0.312 18716 6878 1 12 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.799 -2.030 18716 6879 1 12 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.495 0.250 18716 6880 1 12 . 1 1 17 17 GLU H H 17 7.571 7.571 7.958 -0.387 18716 6881 1 12 . 1 1 18 18 LYS N N 18 115.790 115.790 118.491 -2.701 18716 6882 1 12 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.176 0.321 18716 6883 1 12 . 1 1 18 18 LYS CA C 18 55.569 55.569 56.644 -1.075 18716 6884 1 12 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.213 0.726 18716 6885 1 12 . 1 1 18 18 LYS H H 18 7.456 7.456 7.494 -0.038 18716 6886 1 12 . 1 1 19 19 ILE N N 19 124.228 124.228 120.129 4.099 18716 6887 1 12 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.730 -0.173 18716 6888 1 12 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.447 -0.327 18716 6889 1 12 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.432 0.750 18716 6890 1 12 . 1 1 19 19 ILE H H 19 7.633 7.633 8.004 -0.371 18716 6891 1 12 . 1 1 20 20 ARG N N 20 125.790 125.790 124.544 1.246 18716 6892 1 12 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.537 -0.109 18716 6893 1 12 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.087 1.408 18716 6894 1 12 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.628 -0.091 18716 6895 1 12 . 1 1 20 20 ARG H H 20 8.031 8.031 8.476 -0.445 18716 6896 1 12 . 1 1 21 21 LEU N N 21 120.165 120.165 120.298 -0.133 18716 6897 1 12 . 1 1 21 21 LEU HA H 21 3.431 3.431 4.006 -0.575 18716 6898 1 12 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.852 1.383 18716 6899 1 12 . 1 1 21 21 LEU CB C 21 41.554 41.554 42.223 -0.669 18716 6900 1 12 . 1 1 21 21 LEU H H 21 7.810 7.810 7.808 0.002 18716 6901 1 12 . 1 1 22 22 ARG N N 22 119.540 119.540 116.782 2.758 18716 6902 1 12 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.603 0.242 18716 6903 1 12 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.863 -1.019 18716 6904 1 12 . 1 1 22 22 ARG CB C 22 31.617 31.617 30.728 0.889 18716 6905 1 12 . 1 1 22 22 ARG H H 22 8.974 8.974 7.742 1.232 18716 6906 1 12 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.557 -0.197 18716 6907 1 12 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.729 -1.293 18716 6908 1 12 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.232 -0.667 18716 6909 1 12 . 1 1 24 24 GLY N N 24 112.665 112.665 107.905 4.760 18716 6910 1 12 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.905 0.900 18716 6911 1 12 . 1 1 24 24 GLY H H 24 9.138 9.138 8.243 0.895 18716 6912 1 12 . 1 1 25 25 GLY N N 25 107.978 107.978 108.158 -0.180 18716 6913 1 12 . 1 1 25 25 GLY CA C 25 44.572 44.572 45.168 -0.596 18716 6914 1 12 . 1 1 25 25 GLY H H 25 8.134 8.134 7.808 0.326 18716 6915 1 12 . 1 1 26 26 LYS N N 26 117.665 117.665 119.243 -1.578 18716 6916 1 12 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.517 -0.253 18716 6917 1 12 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.195 0.658 18716 6918 1 12 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.870 1.186 18716 6919 1 12 . 1 1 26 26 LYS H H 26 8.665 8.665 8.442 0.223 18716 6920 1 12 . 1 1 27 27 LYS N N 27 117.925 117.925 119.551 -1.626 18716 6921 1 12 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.540 -0.229 18716 6922 1 12 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.370 1.841 18716 6923 1 12 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.539 -0.661 18716 6924 1 12 . 1 1 27 27 LYS H H 27 7.817 7.817 7.834 -0.017 18716 6925 1 12 . 1 1 28 28 GLN N N 28 122.978 122.978 119.810 3.168 18716 6926 1 12 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.428 0.388 18716 6927 1 12 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.738 -0.265 18716 6928 1 12 . 1 1 28 28 GLN CB C 28 34.054 34.054 31.050 3.004 18716 6929 1 12 . 1 1 28 28 GLN H H 28 8.458 8.458 8.305 0.153 18716 6930 1 12 . 1 1 29 29 TYR N N 29 119.540 119.540 119.703 -0.163 18716 6931 1 12 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.491 -0.759 18716 6932 1 12 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.990 2.020 18716 6933 1 12 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.517 -2.300 18716 6934 1 12 . 1 1 29 29 TYR H H 29 7.824 7.824 8.601 -0.777 18716 6935 1 12 . 1 1 30 30 LYS N N 30 117.978 117.978 120.198 -2.220 18716 6936 1 12 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.865 0.351 18716 6937 1 12 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.745 -0.680 18716 6938 1 12 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.319 2.269 18716 6939 1 12 . 1 1 30 30 LYS H H 30 10.610 10.610 9.246 1.364 18716 6940 1 12 . 1 1 31 31 LEU N N 31 128.602 128.602 124.039 4.563 18716 6941 1 12 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.136 0.045 18716 6942 1 12 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.178 1.056 18716 6943 1 12 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.186 -0.184 18716 6944 1 12 . 1 1 31 31 LEU H H 31 9.991 9.991 9.176 0.815 18716 6945 1 12 . 1 1 32 32 LYS N N 32 115.165 115.165 118.642 -3.477 18716 6946 1 12 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.971 0.174 18716 6947 1 12 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.213 -0.116 18716 6948 1 12 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.796 -0.237 18716 6949 1 12 . 1 1 32 32 LYS H H 32 8.399 8.399 8.680 -0.281 18716 6950 1 12 . 1 1 33 33 HIS N N 33 119.540 119.540 117.179 2.361 18716 6951 1 12 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.720 -0.116 18716 6952 1 12 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.657 3.233 18716 6953 1 12 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.495 2.289 18716 6954 1 12 . 1 1 33 33 HIS H H 33 8.193 8.193 7.976 0.217 18716 6955 1 12 . 1 1 34 34 ILE N N 34 119.540 119.540 120.965 -1.425 18716 6956 1 12 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.904 -0.110 18716 6957 1 12 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.859 -1.011 18716 6958 1 12 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.624 -0.645 18716 6959 1 12 . 1 1 34 34 ILE H H 34 7.898 7.898 7.480 0.418 18716 6960 1 12 . 1 1 35 35 VAL N N 35 122.040 122.040 118.426 3.614 18716 6961 1 12 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.827 -0.215 18716 6962 1 12 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.701 0.045 18716 6963 1 12 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.381 0.761 18716 6964 1 12 . 1 1 35 35 VAL H H 35 7.706 7.706 8.664 -0.958 18716 6965 1 12 . 1 1 36 36 TRP N N 36 119.986 119.986 122.748 -2.762 18716 6966 1 12 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.322 -0.089 18716 6967 1 12 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.855 0.255 18716 6968 1 12 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.355 -0.943 18716 6969 1 12 . 1 1 36 36 TRP H H 36 8.452 8.452 7.906 0.546 18716 6970 1 12 . 1 1 37 37 ALA N N 37 120.478 120.478 121.039 -0.561 18716 6971 1 12 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.742 -0.350 18716 6972 1 12 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.021 0.116 18716 6973 1 12 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.412 -0.982 18716 6974 1 12 . 1 1 37 37 ALA H H 37 8.311 8.311 8.374 -0.063 18716 6975 1 12 . 1 1 38 38 SER N N 38 111.415 111.415 114.871 -3.456 18716 6976 1 12 . 1 1 38 38 SER HA H 38 3.906 3.906 4.075 -0.169 18716 6977 1 12 . 1 1 38 38 SER CA C 38 62.801 62.801 62.715 0.086 18716 6978 1 12 . 1 1 38 38 SER CB C 38 62.829 62.829 62.965 -0.136 18716 6979 1 12 . 1 1 38 38 SER H H 38 8.259 8.259 7.680 0.579 18716 6980 1 12 . 1 1 39 39 ARG N N 39 119.852 119.852 120.787 -0.935 18716 6981 1 12 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.972 0.174 18716 6982 1 12 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.178 -0.768 18716 6983 1 12 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.098 -0.090 18716 6984 1 12 . 1 1 39 39 ARG H H 39 7.559 7.559 7.628 -0.069 18716 6985 1 12 . 1 1 40 40 GLU N N 40 121.102 121.102 118.918 2.184 18716 6986 1 12 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.981 -0.194 18716 6987 1 12 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.359 -0.078 18716 6988 1 12 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.774 0.900 18716 6989 1 12 . 1 1 40 40 GLU H H 40 8.222 8.222 7.594 0.628 18716 6990 1 12 . 1 1 41 41 LEU N N 41 117.040 117.040 120.924 -3.884 18716 6991 1 12 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.076 -0.116 18716 6992 1 12 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.992 0.305 18716 6993 1 12 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.907 -1.727 18716 6994 1 12 . 1 1 41 41 LEU H H 41 8.016 8.016 7.916 0.100 18716 6995 1 12 . 1 1 42 42 GLU N N 42 117.352 117.352 118.225 -0.873 18716 6996 1 12 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.046 0.081 18716 6997 1 12 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.337 0.235 18716 6998 1 12 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.067 0.598 18716 6999 1 12 . 1 1 42 42 GLU H H 42 7.559 7.559 8.000 -0.441 18716 7000 1 12 . 1 1 43 43 ARG N N 43 119.540 119.540 118.602 0.938 18716 7001 1 12 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.055 -0.028 18716 7002 1 12 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.359 0.242 18716 7003 1 12 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.260 -0.595 18716 7004 1 12 . 1 1 43 43 ARG H H 43 7.647 7.647 7.280 0.367 18716 7005 1 12 . 1 1 44 44 PHE N N 44 117.665 117.665 118.542 -0.877 18716 7006 1 12 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.602 0.014 18716 7007 1 12 . 1 1 44 44 PHE CA C 44 57.425 57.425 57.260 0.165 18716 7008 1 12 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.412 0.742 18716 7009 1 12 . 1 1 44 44 PHE H H 44 7.529 7.529 7.754 -0.225 18716 7010 1 12 . 1 1 45 45 ALA N N 45 118.915 118.915 120.093 -1.178 18716 7011 1 12 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.947 0.068 18716 7012 1 12 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.379 0.035 18716 7013 1 12 . 1 1 45 45 ALA CB C 45 16.281 16.281 16.997 -0.716 18716 7014 1 12 . 1 1 45 45 ALA H H 45 7.928 7.928 7.722 0.206 18716 7015 1 12 . 1 1 46 46 VAL N N 46 119.540 119.540 118.587 0.953 18716 7016 1 12 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.147 -0.052 18716 7017 1 12 . 1 1 46 46 VAL CA C 46 60.789 60.789 61.239 -0.450 18716 7018 1 12 . 1 1 46 46 VAL CB C 46 33.420 33.420 32.654 0.766 18716 7019 1 12 . 1 1 46 46 VAL H H 46 7.765 7.765 7.701 0.064 18716 7020 1 12 . 1 1 47 47 ASN N N 47 125.790 125.790 127.342 -1.552 18716 7021 1 12 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.769 -0.123 18716 7022 1 12 . 1 1 47 47 ASN CA C 47 50.997 50.997 53.117 -2.120 18716 7023 1 12 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.890 0.196 18716 7024 1 12 . 1 1 47 47 ASN H H 47 8.399 8.399 8.890 -0.491 18716 7025 1 12 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.427 -0.205 18716 7026 1 12 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.660 -0.346 18716 7027 1 12 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.822 -0.082 18716 7028 1 12 . 1 1 49 49 GLY N N 49 108.290 108.290 107.402 0.888 18716 7029 1 12 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.075 0.455 18716 7030 1 12 . 1 1 49 49 GLY H H 49 8.620 8.620 8.362 0.258 18716 7031 1 12 . 1 1 50 50 LEU N N 50 121.728 121.728 119.670 2.058 18716 7032 1 12 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.254 -0.117 18716 7033 1 12 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.024 1.275 18716 7034 1 12 . 1 1 50 50 LEU CB C 50 41.563 41.563 42.125 -0.562 18716 7035 1 12 . 1 1 50 50 LEU H H 50 7.765 7.765 7.351 0.414 18716 7036 1 12 . 1 1 51 51 LEU N N 51 112.040 112.040 117.494 -5.454 18716 7037 1 12 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.216 0.010 18716 7038 1 12 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.538 -0.032 18716 7039 1 12 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.465 0.025 18716 7040 1 12 . 1 1 51 51 LEU H H 51 7.412 7.412 7.465 -0.053 18716 7041 1 12 . 1 1 52 52 GLU N N 52 114.540 114.540 114.342 0.198 18716 7042 1 12 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.436 -0.381 18716 7043 1 12 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.632 2.752 18716 7044 1 12 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.146 1.912 18716 7045 1 12 . 1 1 52 52 GLU H H 52 7.500 7.500 7.429 0.071 18716 7046 1 12 . 1 1 53 53 THR N N 53 122.978 122.978 114.671 8.307 18716 7047 1 12 . 1 1 53 53 THR HA H 53 4.402 4.402 4.308 0.094 18716 7048 1 12 . 1 1 53 53 THR CA C 53 58.306 58.306 60.525 -2.219 18716 7049 1 12 . 1 1 53 53 THR CB C 53 73.222 73.222 70.957 2.265 18716 7050 1 12 . 1 1 53 53 THR H H 53 7.235 7.235 7.266 -0.031 18716 7051 1 12 . 1 1 54 54 SER N N 54 119.228 119.228 124.461 -5.233 18716 7052 1 12 . 1 1 54 54 SER HA H 54 4.043 4.043 4.199 -0.156 18716 7053 1 12 . 1 1 54 54 SER CA C 54 62.657 62.657 60.872 1.785 18716 7054 1 12 . 1 1 54 54 SER CB C 54 62.562 62.562 63.073 -0.511 18716 7055 1 12 . 1 1 54 54 SER H H 54 9.313 9.313 8.738 0.575 18716 7056 1 12 . 1 1 55 55 GLU N N 55 121.233 121.233 121.217 0.016 18716 7057 1 12 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.383 -0.314 18716 7058 1 12 . 1 1 55 55 GLU CA C 55 59.675 59.675 57.800 1.875 18716 7059 1 12 . 1 1 55 55 GLU CB C 55 28.999 28.999 30.064 -1.065 18716 7060 1 12 . 1 1 55 55 GLU H H 55 8.975 8.975 7.596 1.379 18716 7061 1 12 . 1 1 56 56 GLY N N 56 110.790 110.790 107.821 2.969 18716 7062 1 12 . 1 1 56 56 GLY CA C 56 47.866 47.866 46.974 0.893 18716 7063 1 12 . 1 1 56 56 GLY H H 56 8.517 8.517 8.155 0.362 18716 7064 1 12 . 1 1 57 57 CYS N N 57 118.602 118.602 119.747 -1.145 18716 7065 1 12 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.227 -0.203 18716 7066 1 12 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.727 0.875 18716 7067 1 12 . 1 1 57 57 CYS CB C 57 47.795 47.795 28.034 19.761 18716 7068 1 12 . 1 1 57 57 CYS H H 57 8.134 8.134 8.015 0.119 18716 7069 1 12 . 1 1 58 58 ARG N N 58 119.540 119.540 119.597 -0.057 18716 7070 1 12 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.810 -0.260 18716 7071 1 12 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.602 0.105 18716 7072 1 12 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.931 -0.482 18716 7073 1 12 . 1 1 58 58 ARG H H 58 8.488 8.488 7.798 0.690 18716 7074 1 12 . 1 1 59 59 GLN N N 59 119.852 119.852 117.707 2.145 18716 7075 1 12 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.109 -0.057 18716 7076 1 12 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.680 0.720 18716 7077 1 12 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.575 -0.341 18716 7078 1 12 . 1 1 59 59 GLN H H 59 8.016 8.016 7.605 0.411 18716 7079 1 12 . 1 1 60 60 ILE N N 60 120.790 120.790 120.755 0.035 18716 7080 1 12 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.696 -0.084 18716 7081 1 12 . 1 1 60 60 ILE CA C 60 65.651 65.651 64.979 0.672 18716 7082 1 12 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.919 -0.069 18716 7083 1 12 . 1 1 60 60 ILE H H 60 8.163 8.163 7.853 0.310 18716 7084 1 12 . 1 1 61 61 LEU N N 61 118.915 118.915 118.996 -0.081 18716 7085 1 12 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.108 -0.213 18716 7086 1 12 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.856 0.798 18716 7087 1 12 . 1 1 61 61 LEU CB C 61 40.776 40.776 40.860 -0.084 18716 7088 1 12 . 1 1 61 61 LEU H H 61 8.370 8.370 7.697 0.673 18716 7089 1 12 . 1 1 62 62 GLY N N 62 104.332 104.332 105.247 -0.915 18716 7090 1 12 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.394 0.790 18716 7091 1 12 . 1 1 62 62 GLY H H 62 7.883 7.883 7.769 0.114 18716 7092 1 12 . 1 1 63 63 GLN N N 63 119.852 119.852 118.955 0.897 18716 7093 1 12 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.337 -0.189 18716 7094 1 12 . 1 1 63 63 GLN CA C 63 57.873 57.873 56.761 1.112 18716 7095 1 12 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.613 -0.498 18716 7096 1 12 . 1 1 63 63 GLN H H 63 7.795 7.795 7.806 -0.011 18716 7097 1 12 . 1 1 64 64 LEU N N 64 117.040 117.040 120.714 -3.674 18716 7098 1 12 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.034 0.224 18716 7099 1 12 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.872 -0.689 18716 7100 1 12 . 1 1 64 64 LEU CB C 64 44.198 44.198 42.152 2.046 18716 7101 1 12 . 1 1 64 64 LEU H H 64 8.252 8.252 8.526 -0.274 18716 7102 1 12 . 1 1 65 65 GLN N N 65 118.915 118.915 119.641 -0.726 18716 7103 1 12 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.704 0.075 18716 7104 1 12 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.935 0.612 18716 7105 1 12 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.870 -1.006 18716 7106 1 12 . 1 1 65 65 GLN H H 65 8.104 8.104 8.201 -0.097 18716 7107 1 12 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.320 0.063 18716 7108 1 12 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.847 1.070 18716 7109 1 12 . 1 1 66 66 PRO CB C 66 31.099 31.099 30.981 0.118 18716 7110 1 12 . 1 1 67 67 SER N N 67 111.415 111.415 114.610 -3.195 18716 7111 1 12 . 1 1 67 67 SER HA H 67 4.493 4.493 4.352 0.141 18716 7112 1 12 . 1 1 67 67 SER CA C 67 59.696 59.696 59.370 0.327 18716 7113 1 12 . 1 1 67 67 SER CB C 67 64.031 64.031 62.647 1.385 18716 7114 1 12 . 1 1 67 67 SER H H 67 7.824 7.824 7.388 0.436 18716 7115 1 12 . 1 1 68 68 LEU N N 68 121.102 121.102 120.716 0.386 18716 7116 1 12 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.838 -0.022 18716 7117 1 12 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.920 0.028 18716 7118 1 12 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.641 0.128 18716 7119 1 12 . 1 1 68 68 LEU H H 68 7.647 7.647 7.791 -0.144 18716 7120 1 12 . 1 1 69 69 GLN N N 69 116.415 116.415 115.441 0.974 18716 7121 1 12 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.139 -0.070 18716 7122 1 12 . 1 1 69 69 GLN CA C 69 58.470 58.470 57.620 0.850 18716 7123 1 12 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.263 -0.835 18716 7124 1 12 . 1 1 69 69 GLN H H 69 8.060 8.060 7.826 0.234 18716 7125 1 12 . 1 1 70 70 THR N N 70 106.728 106.728 114.378 -7.650 18716 7126 1 12 . 1 1 70 70 THR HA H 70 4.481 4.481 4.047 0.434 18716 7127 1 12 . 1 1 70 70 THR CA C 70 61.291 61.291 64.589 -3.298 18716 7128 1 12 . 1 1 70 70 THR CB C 70 69.415 69.415 69.217 0.198 18716 7129 1 12 . 1 1 70 70 THR H H 70 7.515 7.515 7.676 -0.161 18716 7130 1 12 . 1 1 71 71 GLY N N 71 109.540 109.540 109.346 0.194 18716 7131 1 12 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.247 1.306 18716 7132 1 12 . 1 1 71 71 GLY H H 71 7.692 7.692 8.038 -0.346 18716 7133 1 12 . 1 1 72 72 SER N N 72 114.540 114.540 113.061 1.479 18716 7134 1 12 . 1 1 72 72 SER HA H 72 4.625 4.625 4.566 0.059 18716 7135 1 12 . 1 1 72 72 SER CA C 72 57.319 57.319 58.015 -0.696 18716 7136 1 12 . 1 1 72 72 SER CB C 72 64.599 64.599 64.430 0.169 18716 7137 1 12 . 1 1 72 72 SER H H 72 8.045 8.045 7.999 0.046 18716 7138 1 12 . 1 1 73 73 GLU N N 73 124.228 124.228 118.506 5.722 18716 7139 1 12 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.090 -0.003 18716 7140 1 12 . 1 1 73 73 GLU CA C 73 59.380 59.380 58.190 1.190 18716 7141 1 12 . 1 1 73 73 GLU CB C 73 29.302 29.302 28.735 0.567 18716 7142 1 12 . 1 1 73 73 GLU H H 73 9.092 9.092 8.724 0.368 18716 7143 1 12 . 1 1 74 74 GLU N N 74 120.165 120.165 116.368 3.797 18716 7144 1 12 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.475 -0.217 18716 7145 1 12 . 1 1 74 74 GLU CA C 74 60.306 60.306 57.170 3.135 18716 7146 1 12 . 1 1 74 74 GLU CB C 74 29.462 29.462 30.114 -0.652 18716 7147 1 12 . 1 1 74 74 GLU H H 74 8.665 8.665 8.289 0.376 18716 7148 1 12 . 1 1 75 75 LEU N N 75 121.415 121.415 116.526 4.889 18716 7149 1 12 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.858 -0.675 18716 7150 1 12 . 1 1 75 75 LEU CA C 75 57.932 57.932 55.596 2.336 18716 7151 1 12 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.230 -1.052 18716 7152 1 12 . 1 1 75 75 LEU H H 75 7.765 7.765 8.174 -0.409 18716 7153 1 12 . 1 1 76 76 ARG N N 76 119.228 119.228 121.331 -2.103 18716 7154 1 12 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.018 -0.085 18716 7155 1 12 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.086 -0.404 18716 7156 1 12 . 1 1 76 76 ARG CB C 76 29.197 29.197 29.508 -0.311 18716 7157 1 12 . 1 1 76 76 ARG H H 76 7.868 7.868 8.814 -0.946 18716 7158 1 12 . 1 1 77 77 SER N N 77 114.228 114.228 115.009 -0.781 18716 7159 1 12 . 1 1 77 77 SER HA H 77 4.263 4.263 4.354 -0.091 18716 7160 1 12 . 1 1 77 77 SER CA C 77 62.668 62.668 61.217 1.451 18716 7161 1 12 . 1 1 77 77 SER CB C 77 62.849 62.849 62.827 0.022 18716 7162 1 12 . 1 1 77 77 SER H H 77 8.576 8.576 8.448 0.128 18716 7163 1 12 . 1 1 78 78 LEU N N 78 125.790 125.790 123.623 2.167 18716 7164 1 12 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.333 0.088 18716 7165 1 12 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.084 0.878 18716 7166 1 12 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.157 0.761 18716 7167 1 12 . 1 1 78 78 LEU H H 78 8.458 8.458 7.560 0.898 18716 7168 1 12 . 1 1 79 79 TYR N N 79 119.852 119.852 119.548 0.304 18716 7169 1 12 . 1 1 79 79 TYR HA H 79 3.661 3.661 3.994 -0.333 18716 7170 1 12 . 1 1 79 79 TYR CA C 79 62.802 62.802 62.107 0.695 18716 7171 1 12 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.243 0.951 18716 7172 1 12 . 1 1 79 79 TYR H H 79 8.694 8.694 8.645 0.049 18716 7173 1 12 . 1 1 80 80 ASN N N 80 117.040 117.040 116.930 0.110 18716 7174 1 12 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.513 -0.229 18716 7175 1 12 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.106 -0.320 18716 7176 1 12 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.133 -0.294 18716 7177 1 12 . 1 1 80 80 ASN H H 80 8.871 8.871 7.776 1.095 18716 7178 1 12 . 1 1 81 81 THR N N 81 115.790 115.790 118.670 -2.880 18716 7179 1 12 . 1 1 81 81 THR HA H 81 3.945 3.945 4.368 -0.423 18716 7180 1 12 . 1 1 81 81 THR CA C 81 67.855 67.855 66.785 1.070 18716 7181 1 12 . 1 1 81 81 THR CB C 81 69.140 69.140 69.109 0.031 18716 7182 1 12 . 1 1 81 81 THR H H 81 8.119 8.119 8.091 0.028 18716 7183 1 12 . 1 1 82 82 ILE N N 82 121.102 121.102 121.168 -0.066 18716 7184 1 12 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.754 -0.086 18716 7185 1 12 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.513 -0.993 18716 7186 1 12 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.184 -0.698 18716 7187 1 12 . 1 1 82 82 ILE H H 82 8.090 8.090 8.790 -0.700 18716 7188 1 12 . 1 1 83 83 ALA N N 83 125.165 125.165 122.755 2.410 18716 7189 1 12 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.907 -0.016 18716 7190 1 12 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.195 0.660 18716 7191 1 12 . 1 1 83 83 ALA CB C 83 17.841 17.841 18.034 -0.193 18716 7192 1 12 . 1 1 83 83 ALA H H 83 8.782 8.782 7.338 1.444 18716 7193 1 12 . 1 1 84 84 VAL N N 84 117.665 117.665 118.855 -1.190 18716 7194 1 12 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.652 -0.324 18716 7195 1 12 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.120 1.345 18716 7196 1 12 . 1 1 84 84 VAL CB C 84 30.695 30.695 30.682 0.013 18716 7197 1 12 . 1 1 84 84 VAL H H 84 7.795 7.795 7.503 0.292 18716 7198 1 12 . 1 1 85 85 LEU N N 85 122.040 122.040 121.101 0.939 18716 7199 1 12 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.947 -0.132 18716 7200 1 12 . 1 1 85 85 LEU CA C 85 58.310 58.310 59.001 -0.691 18716 7201 1 12 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.826 0.322 18716 7202 1 12 . 1 1 85 85 LEU H H 85 8.163 8.163 8.222 -0.059 18716 7203 1 12 . 1 1 86 86 TYR N N 86 118.915 118.915 119.879 -0.964 18716 7204 1 12 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.146 -0.234 18716 7205 1 12 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.710 1.108 18716 7206 1 12 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.239 0.049 18716 7207 1 12 . 1 1 86 86 TYR H H 86 9.062 9.062 8.100 0.962 18716 7208 1 12 . 1 1 87 87 CYS N N 87 116.102 116.102 116.207 -0.105 18716 7209 1 12 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.995 -0.201 18716 7210 1 12 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.588 2.378 18716 7211 1 12 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.552 20.005 18716 7212 1 12 . 1 1 87 87 CYS H H 87 7.515 7.515 8.057 -0.542 18716 7213 1 12 . 1 1 88 88 VAL N N 88 119.978 119.978 121.089 -1.111 18716 7214 1 12 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.711 0.167 18716 7215 1 12 . 1 1 88 88 VAL CA C 88 66.421 66.421 66.153 0.268 18716 7216 1 12 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.172 0.415 18716 7217 1 12 . 1 1 88 88 VAL H H 88 8.429 8.429 7.757 0.672 18716 7218 1 12 . 1 1 89 89 HIS N N 89 118.915 118.915 116.648 2.267 18716 7219 1 12 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.546 0.329 18716 7220 1 12 . 1 1 89 89 HIS CA C 89 57.120 57.120 58.395 -1.275 18716 7221 1 12 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.394 -0.311 18716 7222 1 12 . 1 1 89 89 HIS H H 89 8.797 8.797 8.148 0.649 18716 7223 1 12 . 1 1 90 90 GLN N N 90 116.728 116.728 116.652 0.076 18716 7224 1 12 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.091 0.294 18716 7225 1 12 . 1 1 90 90 GLN CA C 90 55.289 55.289 58.323 -3.034 18716 7226 1 12 . 1 1 90 90 GLN CB C 90 30.952 30.952 29.890 1.062 18716 7227 1 12 . 1 1 90 90 GLN H H 90 7.986 7.986 7.631 0.355 18716 7228 1 12 . 1 1 91 91 ARG N N 91 115.165 115.165 114.721 0.444 18716 7229 1 12 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.325 -0.312 18716 7230 1 12 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.520 0.663 18716 7231 1 12 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.598 -5.549 18716 7232 1 12 . 1 1 91 91 ARG H H 91 7.883 7.883 7.751 0.132 18716 7233 1 12 . 1 1 92 92 ILE N N 92 120.087 120.087 122.765 -2.678 18716 7234 1 12 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.069 -0.084 18716 7235 1 12 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.608 -1.952 18716 7236 1 12 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.316 0.615 18716 7237 1 12 . 1 1 92 92 ILE H H 92 8.335 8.335 7.967 0.368 18716 7238 1 12 . 1 1 93 93 ASP N N 93 129.228 129.228 128.987 0.241 18716 7239 1 12 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.772 -0.287 18716 7240 1 12 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.116 1.927 18716 7241 1 12 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.052 0.344 18716 7242 1 12 . 1 1 93 93 ASP H H 93 8.620 8.620 8.465 0.155 18716 7243 1 12 . 1 1 94 94 VAL N N 94 115.790 115.790 116.170 -0.380 18716 7244 1 12 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.836 0.797 18716 7245 1 12 . 1 1 94 94 VAL CA C 94 59.120 59.120 63.137 -4.017 18716 7246 1 12 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.016 3.496 18716 7247 1 12 . 1 1 94 94 VAL H H 94 7.751 7.751 7.367 0.384 18716 7248 1 12 . 1 1 95 95 LYS N N 95 118.915 118.915 122.017 -3.102 18716 7249 1 12 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.131 0.262 18716 7250 1 12 . 1 1 95 95 LYS CA C 95 56.671 56.671 58.328 -1.657 18716 7251 1 12 . 1 1 95 95 LYS CB C 95 34.008 34.008 32.590 1.418 18716 7252 1 12 . 1 1 95 95 LYS H H 95 9.239 9.239 8.816 0.423 18716 7253 1 12 . 1 1 96 96 ASP N N 96 112.040 112.040 111.979 0.061 18716 7254 1 12 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.380 0.182 18716 7255 1 12 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.541 0.288 18716 7256 1 12 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.381 1.223 18716 7257 1 12 . 1 1 96 96 ASP H H 96 7.412 7.412 7.631 -0.219 18716 7258 1 12 . 1 1 97 97 THR N N 97 109.540 109.540 113.997 -4.457 18716 7259 1 12 . 1 1 97 97 THR HA H 97 3.661 3.661 4.035 -0.374 18716 7260 1 12 . 1 1 97 97 THR CA C 97 65.947 65.947 65.747 0.200 18716 7261 1 12 . 1 1 97 97 THR CB C 97 70.285 70.285 68.734 1.551 18716 7262 1 12 . 1 1 97 97 THR H H 97 7.250 7.250 8.303 -1.053 18716 7263 1 12 . 1 1 98 98 LYS N N 98 121.102 121.102 122.043 -0.941 18716 7264 1 12 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.920 0.025 18716 7265 1 12 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.710 -0.082 18716 7266 1 12 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.964 -0.037 18716 7267 1 12 . 1 1 98 98 LYS H H 98 7.868 7.868 8.261 -0.393 18716 7268 1 12 . 1 1 99 99 GLU N N 99 119.228 119.228 118.366 0.862 18716 7269 1 12 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.026 0.051 18716 7270 1 12 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.489 0.306 18716 7271 1 12 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.495 0.750 18716 7272 1 12 . 1 1 99 99 GLU H H 99 8.384 8.384 8.751 -0.367 18716 7273 1 12 . 1 1 100 100 ALA N N 100 118.915 118.915 121.216 -2.301 18716 7274 1 12 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.141 0.245 18716 7275 1 12 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.924 0.472 18716 7276 1 12 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.450 1.309 18716 7277 1 12 . 1 1 100 100 ALA H H 100 7.382 7.382 7.554 -0.172 18716 7278 1 12 . 1 1 101 101 LEU N N 101 117.978 117.978 119.572 -1.594 18716 7279 1 12 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.114 -0.094 18716 7280 1 12 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.679 0.296 18716 7281 1 12 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.288 0.205 18716 7282 1 12 . 1 1 101 101 LEU H H 101 8.119 8.119 7.829 0.290 18716 7283 1 12 . 1 1 102 102 ASP N N 102 120.478 120.478 119.048 1.430 18716 7284 1 12 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.352 0.015 18716 7285 1 12 . 1 1 102 102 ASP CA C 102 57.352 57.352 58.160 -0.808 18716 7286 1 12 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.623 -0.901 18716 7287 1 12 . 1 1 102 102 ASP H H 102 8.679 8.679 8.205 0.474 18716 7288 1 12 . 1 1 103 103 LYS N N 103 120.165 120.165 119.856 0.309 18716 7289 1 12 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.167 -0.003 18716 7290 1 12 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.149 -0.785 18716 7291 1 12 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.730 -1.198 18716 7292 1 12 . 1 1 103 103 LYS H H 103 8.207 8.207 7.660 0.547 18716 7293 1 12 . 1 1 104 104 ILE N N 104 119.852 119.852 118.980 0.872 18716 7294 1 12 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.715 0.095 18716 7295 1 12 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.024 -0.416 18716 7296 1 12 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.599 -0.165 18716 7297 1 12 . 1 1 104 104 ILE H H 104 8.163 8.163 7.749 0.414 18716 7298 1 12 . 1 1 105 105 GLU N N 105 121.415 121.415 120.487 0.928 18716 7299 1 12 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.954 0.081 18716 7300 1 12 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.939 -0.305 18716 7301 1 12 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.570 3.186 18716 7302 1 12 . 1 1 105 105 GLU H H 105 8.001 8.001 8.308 -0.307 18716 7303 1 12 . 1 1 106 106 GLU N N 106 119.228 119.228 119.867 -0.639 18716 7304 1 12 . 1 1 106 106 GLU HA H 106 4.090 4.090 3.980 0.110 18716 7305 1 12 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.819 -0.552 18716 7306 1 12 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.508 0.090 18716 7307 1 12 . 1 1 106 106 GLU H H 106 8.031 8.031 7.723 0.308 18716 7308 1 12 . 1 1 107 107 GLU N N 107 118.915 118.915 117.870 1.045 18716 7309 1 12 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.042 0.031 18716 7310 1 12 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.323 0.018 18716 7311 1 12 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.605 0.265 18716 7312 1 12 . 1 1 107 107 GLU H H 107 8.016 8.016 7.955 0.061 18716 7313 1 12 . 1 1 108 108 GLN N N 108 118.290 118.290 117.856 0.434 18716 7314 1 12 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.276 -0.129 18716 7315 1 12 . 1 1 108 108 GLN CA C 108 58.407 58.407 57.562 0.845 18716 7316 1 12 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.986 -0.141 18716 7317 1 12 . 1 1 108 108 GLN H H 108 8.252 8.252 7.663 0.589 18716 7318 1 12 . 1 1 109 109 ASN N N 109 118.290 118.290 119.767 -1.477 18716 7319 1 12 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.423 0.194 18716 7320 1 12 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.081 -1.199 18716 7321 1 12 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.271 0.254 18716 7322 1 12 . 1 1 109 109 ASN H H 109 8.252 8.252 8.287 -0.035 18716 7323 1 12 . 1 1 110 110 LYS N N 110 120.478 120.478 120.122 0.356 18716 7324 1 12 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.041 0.189 18716 7325 1 12 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.520 -1.209 18716 7326 1 12 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.364 0.327 18716 7327 1 12 . 1 1 110 110 LYS H H 110 8.031 8.031 8.450 -0.419 18716 7328 1 12 . 1 1 111 111 SER N N 111 114.540 114.540 114.193 0.347 18716 7329 1 12 . 1 1 111 111 SER HA H 111 4.368 4.368 4.263 0.105 18716 7330 1 12 . 1 1 111 111 SER CA C 111 59.764 59.764 61.282 -1.518 18716 7331 1 12 . 1 1 111 111 SER CB C 111 63.442 63.442 62.927 0.515 18716 7332 1 12 . 1 1 111 111 SER H H 111 8.031 8.031 7.945 0.086 18716 7333 1 12 . 1 1 112 112 LYS N N 112 122.040 122.040 120.501 1.539 18716 7334 1 12 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.127 0.118 18716 7335 1 12 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.286 -0.957 18716 7336 1 12 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.203 0.572 18716 7337 1 12 . 1 1 112 112 LYS H H 112 7.957 7.957 7.529 0.428 18716 7338 1 12 . 1 1 113 113 LYS N N 113 120.790 120.790 119.042 1.748 18716 7339 1 12 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.107 0.043 18716 7340 1 12 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.114 0.020 18716 7341 1 12 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.431 0.335 18716 7342 1 12 . 1 1 113 113 LYS H H 113 8.016 8.016 7.609 0.407 18716 7343 1 12 . 1 1 114 114 LYS N N 114 121.728 121.728 117.934 3.794 18716 7344 1 12 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.100 0.163 18716 7345 1 12 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.659 -1.474 18716 7346 1 12 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.706 0.151 18716 7347 1 12 . 1 1 114 114 LYS H H 114 8.119 8.119 7.571 0.548 18716 7348 1 12 . 1 1 115 115 ALA N N 115 124.228 124.228 119.960 4.268 18716 7349 1 12 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.582 -0.314 18716 7350 1 12 . 1 1 115 115 ALA CA C 115 53.035 53.035 51.380 1.655 18716 7351 1 12 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.786 0.252 18716 7352 1 12 . 1 1 115 115 ALA H H 115 8.178 8.178 7.155 1.023 18716 7353 1 12 . 1 1 116 116 GLN N N 116 119.228 119.228 117.396 1.832 18716 7354 1 12 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.427 -0.179 18716 7355 1 12 . 1 1 116 116 GLN CA C 116 56.549 56.549 56.325 0.224 18716 7356 1 12 . 1 1 116 116 GLN H H 116 8.237 8.237 7.667 0.570 18716 7357 1 12 . 1 1 117 117 GLN N N 117 120.478 120.478 120.449 0.029 18716 7358 1 12 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.234 0.035 18716 7359 1 12 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.933 -1.609 18716 7360 1 12 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.763 0.843 18716 7361 1 12 . 1 1 117 117 GLN H H 117 8.266 8.266 8.510 -0.244 18716 7362 1 12 . 1 1 118 118 ALA N N 118 124.852 124.852 120.448 4.404 18716 7363 1 12 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.459 -0.183 18716 7364 1 12 . 1 1 118 118 ALA CA C 118 52.837 52.837 52.258 0.579 18716 7365 1 12 . 1 1 118 118 ALA CB C 118 19.062 19.062 17.794 1.268 18716 7366 1 12 . 1 1 118 118 ALA H H 118 8.266 8.266 8.236 0.030 18716 7367 1 12 . 1 1 119 119 ALA N N 119 122.978 122.978 120.931 2.047 18716 7368 1 12 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.516 -0.222 18716 7369 1 12 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.587 0.049 18716 7370 1 12 . 1 1 119 119 ALA CB C 119 19.201 19.201 19.472 -0.271 18716 7371 1 12 . 1 1 119 119 ALA H H 119 8.163 8.163 7.713 0.450 18716 7372 1 12 . 1 1 120 120 ALA N N 120 122.665 122.665 121.552 1.113 18716 7373 1 12 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.635 -0.358 18716 7374 1 12 . 1 1 120 120 ALA CA C 120 52.736 52.736 51.914 0.822 18716 7375 1 12 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.169 -0.002 18716 7376 1 12 . 1 1 120 120 ALA H H 120 8.163 8.163 7.966 0.197 18716 7377 1 12 . 1 1 121 121 ASP N N 121 119.228 119.228 120.144 -0.916 18716 7378 1 12 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.731 -0.049 18716 7379 1 12 . 1 1 121 121 ASP CA C 121 54.264 54.264 53.761 0.503 18716 7380 1 12 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.710 0.418 18716 7381 1 12 . 1 1 121 121 ASP H H 121 8.252 8.252 8.289 -0.037 18716 7382 1 12 . 1 1 122 122 THR N N 122 113.602 113.602 110.941 2.661 18716 7383 1 12 . 1 1 122 122 THR HA H 122 4.358 4.358 4.616 -0.258 18716 7384 1 12 . 1 1 122 122 THR CA C 122 61.971 61.971 61.133 0.838 18716 7385 1 12 . 1 1 122 122 THR CB C 122 69.586 69.586 70.787 -1.201 18716 7386 1 12 . 1 1 122 122 THR H H 122 8.075 8.075 7.458 0.617 18716 7387 1 12 . 1 1 123 123 GLY N N 123 110.478 110.478 111.983 -1.505 18716 7388 1 12 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.551 1.052 18716 7389 1 12 . 1 1 123 123 GLY H H 123 8.414 8.414 8.431 -0.017 18716 7390 1 12 . 1 1 124 124 ASN N N 124 118.602 118.602 115.948 2.654 18716 7391 1 12 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.744 -0.136 18716 7392 1 12 . 1 1 124 124 ASN CA C 124 54.733 54.733 53.498 1.236 18716 7393 1 12 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.273 -1.735 18716 7394 1 12 . 1 1 124 124 ASN H H 124 8.266 8.266 9.142 -0.876 18716 7395 1 12 . 1 1 125 125 ASN N N 125 119.228 119.228 116.796 2.432 18716 7396 1 12 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.654 0.070 18716 7397 1 12 . 1 1 125 125 ASN CA C 125 53.453 53.453 54.038 -0.585 18716 7398 1 12 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.191 -0.378 18716 7399 1 12 . 1 1 125 125 ASN H H 125 8.443 8.443 8.292 0.151 18716 7400 1 12 . 1 1 126 126 SER N N 126 115.790 115.790 119.135 -3.345 18716 7401 1 12 . 1 1 126 126 SER HA H 126 4.388 4.388 4.456 -0.068 18716 7402 1 12 . 1 1 126 126 SER CA C 126 58.851 58.851 59.145 -0.294 18716 7403 1 12 . 1 1 126 126 SER CB C 126 63.926 63.926 62.706 1.220 18716 7404 1 12 . 1 1 126 126 SER H H 126 8.266 8.266 8.141 0.125 18716 7405 1 12 . 1 1 127 127 GLN N N 127 121.728 121.728 123.975 -2.247 18716 7406 1 12 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.471 -0.148 18716 7407 1 12 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.358 0.865 18716 7408 1 12 . 1 1 127 127 GLN CB C 127 29.168 29.168 30.091 -0.923 18716 7409 1 12 . 1 1 127 127 GLN H H 127 8.355 8.355 7.711 0.644 18716 7410 1 12 . 1 1 128 128 VAL N N 128 119.852 119.852 121.111 -1.259 18716 7411 1 12 . 1 1 128 128 VAL HA H 128 4.109 4.109 3.911 0.198 18716 7412 1 12 . 1 1 128 128 VAL CA C 128 62.665 62.665 62.419 0.246 18716 7413 1 12 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.898 -0.129 18716 7414 1 12 . 1 1 128 128 VAL H H 128 7.986 7.986 8.143 -0.157 18716 7415 1 12 . 1 1 129 129 SER N N 129 117.978 117.978 121.585 -3.607 18716 7416 1 12 . 1 1 129 129 SER HA H 129 4.136 4.136 4.433 -0.297 18716 7417 1 12 . 1 1 129 129 SER CA C 129 58.404 58.404 58.159 0.245 18716 7418 1 12 . 1 1 129 129 SER CB C 129 63.755 63.755 63.542 0.213 18716 7419 1 12 . 1 1 129 129 SER H H 129 8.252 8.252 8.205 0.047 18716 7420 1 12 . 1 1 130 130 GLN N N 130 121.728 121.728 124.522 -2.794 18716 7421 1 12 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.141 0.214 18716 7422 1 12 . 1 1 130 130 GLN CA C 130 56.150 56.150 56.473 -0.323 18716 7423 1 12 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.334 0.039 18716 7424 1 12 . 1 1 130 130 GLN H H 130 8.355 8.355 8.386 -0.031 18716 7425 1 12 . 1 1 131 131 ASN N N 131 118.290 118.290 117.565 0.725 18716 7426 1 12 . 1 1 131 131 ASN HA H 131 4.632 4.632 5.008 -0.376 18716 7427 1 12 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.829 0.739 18716 7428 1 12 . 1 1 131 131 ASN H H 131 8.252 8.252 8.599 -0.347 18716 7429 1 13 . 1 1 3 3 ALA N N 3 123.842 123.842 124.450 -0.608 18716 7430 1 13 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.532 -0.204 18716 7431 1 13 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.815 0.722 18716 7432 1 13 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.596 -2.345 18716 7433 1 13 . 1 1 3 3 ALA H H 3 8.183 8.183 8.176 0.007 18716 7434 1 13 . 1 1 4 4 ARG N N 4 120.165 120.165 121.187 -1.022 18716 7435 1 13 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.573 -0.317 18716 7436 1 13 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.238 0.727 18716 7437 1 13 . 1 1 4 4 ARG CB C 4 30.961 30.961 33.804 -2.843 18716 7438 1 13 . 1 1 4 4 ARG H H 4 8.429 8.429 8.099 0.330 18716 7439 1 13 . 1 1 5 5 ALA N N 5 125.165 125.165 124.945 0.220 18716 7440 1 13 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.327 -0.045 18716 7441 1 13 . 1 1 5 5 ALA CA C 5 52.371 52.371 52.532 -0.161 18716 7442 1 13 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.262 0.410 18716 7443 1 13 . 1 1 5 5 ALA H H 5 8.370 8.370 8.356 0.014 18716 7444 1 13 . 1 1 6 6 SER N N 6 114.540 114.540 114.791 -0.251 18716 7445 1 13 . 1 1 6 6 SER HA H 6 4.479 4.479 4.190 0.289 18716 7446 1 13 . 1 1 6 6 SER CA C 6 57.804 57.804 58.850 -1.046 18716 7447 1 13 . 1 1 6 6 SER CB C 6 64.034 64.034 63.447 0.587 18716 7448 1 13 . 1 1 6 6 SER H H 6 8.134 8.134 8.156 -0.022 18716 7449 1 13 . 1 1 7 7 VAL N N 7 121.415 121.415 120.311 1.104 18716 7450 1 13 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.060 -0.443 18716 7451 1 13 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.397 2.314 18716 7452 1 13 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.418 -0.482 18716 7453 1 13 . 1 1 7 7 VAL H H 7 8.119 8.119 7.975 0.144 18716 7454 1 13 . 1 1 8 8 LEU N N 8 115.478 115.478 120.077 -4.599 18716 7455 1 13 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.755 0.159 18716 7456 1 13 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.571 -1.096 18716 7457 1 13 . 1 1 8 8 LEU CB C 8 44.314 44.314 42.204 2.110 18716 7458 1 13 . 1 1 8 8 LEU H H 8 7.382 7.382 7.782 -0.400 18716 7459 1 13 . 1 1 9 9 SER N N 9 118.290 118.290 119.930 -1.640 18716 7460 1 13 . 1 1 9 9 SER HA H 9 4.606 4.606 4.410 0.196 18716 7461 1 13 . 1 1 9 9 SER CA C 9 57.197 57.197 57.596 -0.399 18716 7462 1 13 . 1 1 9 9 SER CB C 9 65.426 65.426 64.943 0.483 18716 7463 1 13 . 1 1 9 9 SER H H 9 9.166 9.166 8.790 0.376 18716 7464 1 13 . 1 1 10 10 GLY N N 10 109.228 109.228 108.609 0.619 18716 7465 1 13 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.975 0.699 18716 7466 1 13 . 1 1 10 10 GLY H H 10 8.959 8.959 8.716 0.243 18716 7467 1 13 . 1 1 11 11 GLY N N 11 111.102 111.102 109.863 1.239 18716 7468 1 13 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.480 0.181 18716 7469 1 13 . 1 1 11 11 GLY H H 11 8.782 8.782 7.755 1.027 18716 7470 1 13 . 1 1 12 12 GLU N N 12 120.165 120.165 122.152 -1.987 18716 7471 1 13 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.014 -0.064 18716 7472 1 13 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.855 0.241 18716 7473 1 13 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.476 1.814 18716 7474 1 13 . 1 1 12 12 GLU H H 12 7.751 7.751 7.548 0.203 18716 7475 1 13 . 1 1 13 13 LEU N N 13 121.415 121.415 121.054 0.361 18716 7476 1 13 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.063 0.045 18716 7477 1 13 . 1 1 13 13 LEU CA C 13 58.062 58.062 57.920 0.142 18716 7478 1 13 . 1 1 13 13 LEU CB C 13 40.936 40.936 42.051 -1.115 18716 7479 1 13 . 1 1 13 13 LEU H H 13 8.340 8.340 8.445 -0.105 18716 7480 1 13 . 1 1 14 14 ASP N N 14 116.415 116.415 119.710 -3.295 18716 7481 1 13 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.409 -0.016 18716 7482 1 13 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.438 -0.302 18716 7483 1 13 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.215 0.871 18716 7484 1 13 . 1 1 14 14 ASP H H 14 7.574 7.574 7.764 -0.190 18716 7485 1 13 . 1 1 15 15 LYS N N 15 115.478 115.478 119.748 -4.270 18716 7486 1 13 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.124 -0.078 18716 7487 1 13 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.110 -0.708 18716 7488 1 13 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.639 -0.280 18716 7489 1 13 . 1 1 15 15 LYS H H 15 7.117 7.117 7.435 -0.318 18716 7490 1 13 . 1 1 16 16 TRP N N 16 121.693 121.693 122.178 -0.485 18716 7491 1 13 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.257 -0.232 18716 7492 1 13 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.945 -0.659 18716 7493 1 13 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.418 1.695 18716 7494 1 13 . 1 1 16 16 TRP H H 16 8.646 8.646 8.505 0.141 18716 7495 1 13 . 1 1 17 17 GLU N N 17 127.710 127.710 115.745 11.965 18716 7496 1 13 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.498 0.193 18716 7497 1 13 . 1 1 17 17 GLU CA C 17 56.769 56.769 57.768 -0.999 18716 7498 1 13 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.708 0.037 18716 7499 1 13 . 1 1 17 17 GLU H H 17 7.571 7.571 7.791 -0.220 18716 7500 1 13 . 1 1 18 18 LYS N N 18 115.790 115.790 118.943 -3.153 18716 7501 1 13 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.387 0.110 18716 7502 1 13 . 1 1 18 18 LYS CA C 18 55.569 55.569 55.595 -0.026 18716 7503 1 13 . 1 1 18 18 LYS CB C 18 33.939 33.939 32.675 1.264 18716 7504 1 13 . 1 1 18 18 LYS H H 18 7.456 7.456 7.608 -0.152 18716 7505 1 13 . 1 1 19 19 ILE N N 19 124.228 124.228 119.733 4.495 18716 7506 1 13 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.434 -0.876 18716 7507 1 13 . 1 1 19 19 ILE CA C 19 63.120 63.120 59.671 3.449 18716 7508 1 13 . 1 1 19 19 ILE CB C 19 38.182 38.182 40.686 -2.504 18716 7509 1 13 . 1 1 19 19 ILE H H 19 7.633 7.633 7.243 0.390 18716 7510 1 13 . 1 1 20 20 ARG N N 20 125.790 125.790 126.373 -0.583 18716 7511 1 13 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.514 -0.086 18716 7512 1 13 . 1 1 20 20 ARG CA C 20 56.495 56.495 56.493 0.001 18716 7513 1 13 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.046 0.491 18716 7514 1 13 . 1 1 20 20 ARG H H 20 8.031 8.031 8.637 -0.606 18716 7515 1 13 . 1 1 21 21 LEU N N 21 120.165 120.165 121.438 -1.273 18716 7516 1 13 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.402 0.029 18716 7517 1 13 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.915 1.320 18716 7518 1 13 . 1 1 21 21 LEU CB C 21 41.554 41.554 41.782 -0.228 18716 7519 1 13 . 1 1 21 21 LEU H H 21 7.810 7.810 8.324 -0.514 18716 7520 1 13 . 1 1 22 22 ARG N N 22 119.540 119.540 114.400 5.140 18716 7521 1 13 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.576 0.269 18716 7522 1 13 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.688 -0.844 18716 7523 1 13 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.457 -0.840 18716 7524 1 13 . 1 1 22 22 ARG H H 22 8.974 8.974 7.401 1.573 18716 7525 1 13 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.359 0.001 18716 7526 1 13 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.656 -1.220 18716 7527 1 13 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.047 -0.482 18716 7528 1 13 . 1 1 24 24 GLY N N 24 112.665 112.665 106.596 6.069 18716 7529 1 13 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.170 1.635 18716 7530 1 13 . 1 1 24 24 GLY H H 24 9.138 9.138 7.835 1.303 18716 7531 1 13 . 1 1 25 25 GLY N N 25 107.978 107.978 107.965 0.013 18716 7532 1 13 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.294 0.279 18716 7533 1 13 . 1 1 25 25 GLY H H 25 8.134 8.134 7.338 0.796 18716 7534 1 13 . 1 1 26 26 LYS N N 26 117.665 117.665 119.145 -1.480 18716 7535 1 13 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.501 -0.237 18716 7536 1 13 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.360 0.493 18716 7537 1 13 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.054 2.002 18716 7538 1 13 . 1 1 26 26 LYS H H 26 8.665 8.665 8.465 0.200 18716 7539 1 13 . 1 1 27 27 LYS N N 27 117.925 117.925 119.016 -1.091 18716 7540 1 13 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.588 -0.277 18716 7541 1 13 . 1 1 27 27 LYS CA C 27 57.211 57.211 54.720 2.491 18716 7542 1 13 . 1 1 27 27 LYS CB C 27 33.878 33.878 35.142 -1.264 18716 7543 1 13 . 1 1 27 27 LYS H H 27 7.817 7.817 7.905 -0.088 18716 7544 1 13 . 1 1 28 28 GLN N N 28 122.978 122.978 116.964 6.014 18716 7545 1 13 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.824 -0.008 18716 7546 1 13 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.490 -0.018 18716 7547 1 13 . 1 1 28 28 GLN CB C 28 34.054 34.054 32.594 1.460 18716 7548 1 13 . 1 1 28 28 GLN H H 28 8.458 8.458 8.231 0.227 18716 7549 1 13 . 1 1 29 29 TYR N N 29 119.540 119.540 119.159 0.381 18716 7550 1 13 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.560 -0.828 18716 7551 1 13 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.691 2.319 18716 7552 1 13 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.423 -2.207 18716 7553 1 13 . 1 1 29 29 TYR H H 29 7.824 7.824 8.294 -0.470 18716 7554 1 13 . 1 1 30 30 LYS N N 30 117.978 117.978 121.180 -3.202 18716 7555 1 13 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.909 0.307 18716 7556 1 13 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.878 -0.813 18716 7557 1 13 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.107 2.481 18716 7558 1 13 . 1 1 30 30 LYS H H 30 10.610 10.610 9.194 1.416 18716 7559 1 13 . 1 1 31 31 LEU N N 31 128.602 128.602 124.807 3.795 18716 7560 1 13 . 1 1 31 31 LEU HA H 31 4.181 4.181 3.956 0.225 18716 7561 1 13 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.236 0.998 18716 7562 1 13 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.671 -0.669 18716 7563 1 13 . 1 1 31 31 LEU H H 31 9.991 9.991 8.852 1.139 18716 7564 1 13 . 1 1 32 32 LYS N N 32 115.165 115.165 119.200 -4.035 18716 7565 1 13 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.938 0.207 18716 7566 1 13 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.198 -0.101 18716 7567 1 13 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.934 -0.376 18716 7568 1 13 . 1 1 32 32 LYS H H 32 8.399 8.399 8.561 -0.162 18716 7569 1 13 . 1 1 33 33 HIS N N 33 119.540 119.540 117.203 2.337 18716 7570 1 13 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.662 -0.058 18716 7571 1 13 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.336 3.555 18716 7572 1 13 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.621 2.163 18716 7573 1 13 . 1 1 33 33 HIS H H 33 8.193 8.193 7.866 0.327 18716 7574 1 13 . 1 1 34 34 ILE N N 34 119.540 119.540 120.546 -1.006 18716 7575 1 13 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.664 0.130 18716 7576 1 13 . 1 1 34 34 ILE CA C 34 63.848 63.848 65.166 -1.318 18716 7577 1 13 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.576 -0.597 18716 7578 1 13 . 1 1 34 34 ILE H H 34 7.898 7.898 7.573 0.325 18716 7579 1 13 . 1 1 35 35 VAL N N 35 122.040 122.040 119.105 2.935 18716 7580 1 13 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.681 -0.069 18716 7581 1 13 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.722 0.024 18716 7582 1 13 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.657 0.484 18716 7583 1 13 . 1 1 35 35 VAL H H 35 7.706 7.706 8.279 -0.573 18716 7584 1 13 . 1 1 36 36 TRP N N 36 119.986 119.986 122.586 -2.600 18716 7585 1 13 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.253 -0.020 18716 7586 1 13 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.926 0.184 18716 7587 1 13 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.232 -0.820 18716 7588 1 13 . 1 1 36 36 TRP H H 36 8.452 8.452 7.626 0.826 18716 7589 1 13 . 1 1 37 37 ALA N N 37 120.478 120.478 119.698 0.780 18716 7590 1 13 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.679 -0.287 18716 7591 1 13 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.228 -0.091 18716 7592 1 13 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.136 -0.706 18716 7593 1 13 . 1 1 37 37 ALA H H 37 8.311 8.311 8.170 0.141 18716 7594 1 13 . 1 1 38 38 SER N N 38 111.415 111.415 114.973 -3.558 18716 7595 1 13 . 1 1 38 38 SER HA H 38 3.906 3.906 4.039 -0.133 18716 7596 1 13 . 1 1 38 38 SER CA C 38 62.801 62.801 62.053 0.748 18716 7597 1 13 . 1 1 38 38 SER CB C 38 62.829 62.829 63.017 -0.188 18716 7598 1 13 . 1 1 38 38 SER H H 38 8.259 8.259 7.466 0.793 18716 7599 1 13 . 1 1 39 39 ARG N N 39 119.852 119.852 120.464 -0.612 18716 7600 1 13 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.063 0.083 18716 7601 1 13 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.973 -0.563 18716 7602 1 13 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.328 -0.320 18716 7603 1 13 . 1 1 39 39 ARG H H 39 7.559 7.559 7.698 -0.139 18716 7604 1 13 . 1 1 40 40 GLU N N 40 121.102 121.102 118.171 2.931 18716 7605 1 13 . 1 1 40 40 GLU HA H 40 3.787 3.787 4.003 -0.216 18716 7606 1 13 . 1 1 40 40 GLU CA C 40 58.281 58.281 57.847 0.434 18716 7607 1 13 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.356 0.318 18716 7608 1 13 . 1 1 40 40 GLU H H 40 8.222 8.222 7.479 0.743 18716 7609 1 13 . 1 1 41 41 LEU N N 41 117.040 117.040 121.226 -4.186 18716 7610 1 13 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.073 -0.113 18716 7611 1 13 . 1 1 41 41 LEU CA C 41 58.297 58.297 58.190 0.107 18716 7612 1 13 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.037 -1.857 18716 7613 1 13 . 1 1 41 41 LEU H H 41 8.016 8.016 7.982 0.034 18716 7614 1 13 . 1 1 42 42 GLU N N 42 117.352 117.352 118.663 -1.311 18716 7615 1 13 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.149 -0.022 18716 7616 1 13 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.383 0.188 18716 7617 1 13 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.333 0.332 18716 7618 1 13 . 1 1 42 42 GLU H H 42 7.559 7.559 7.832 -0.273 18716 7619 1 13 . 1 1 43 43 ARG N N 43 119.540 119.540 118.584 0.956 18716 7620 1 13 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.054 -0.027 18716 7621 1 13 . 1 1 43 43 ARG CA C 43 58.601 58.601 57.949 0.652 18716 7622 1 13 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.056 -0.391 18716 7623 1 13 . 1 1 43 43 ARG H H 43 7.647 7.647 7.917 -0.270 18716 7624 1 13 . 1 1 44 44 PHE N N 44 117.665 117.665 118.710 -1.045 18716 7625 1 13 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.650 -0.034 18716 7626 1 13 . 1 1 44 44 PHE CA C 44 57.425 57.425 57.108 0.317 18716 7627 1 13 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.594 0.560 18716 7628 1 13 . 1 1 44 44 PHE H H 44 7.529 7.529 7.738 -0.209 18716 7629 1 13 . 1 1 45 45 ALA N N 45 118.915 118.915 119.494 -0.579 18716 7630 1 13 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.959 0.056 18716 7631 1 13 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.188 0.226 18716 7632 1 13 . 1 1 45 45 ALA CB C 45 16.281 16.281 17.065 -0.784 18716 7633 1 13 . 1 1 45 45 ALA H H 45 7.928 7.928 7.684 0.244 18716 7634 1 13 . 1 1 46 46 VAL N N 46 119.540 119.540 119.044 0.496 18716 7635 1 13 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.215 -0.120 18716 7636 1 13 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.118 0.671 18716 7637 1 13 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.375 0.045 18716 7638 1 13 . 1 1 46 46 VAL H H 46 7.765 7.765 7.808 -0.043 18716 7639 1 13 . 1 1 47 47 ASN N N 47 125.790 125.790 126.017 -0.227 18716 7640 1 13 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.851 -0.205 18716 7641 1 13 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.078 -1.081 18716 7642 1 13 . 1 1 47 47 ASN CB C 47 39.086 39.086 39.335 -0.249 18716 7643 1 13 . 1 1 47 47 ASN H H 47 8.399 8.399 8.806 -0.407 18716 7644 1 13 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.415 -0.193 18716 7645 1 13 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.229 0.085 18716 7646 1 13 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.899 -0.159 18716 7647 1 13 . 1 1 49 49 GLY N N 49 108.290 108.290 107.135 1.155 18716 7648 1 13 . 1 1 49 49 GLY CA C 49 46.530 46.530 45.032 1.498 18716 7649 1 13 . 1 1 49 49 GLY H H 49 8.620 8.620 8.145 0.475 18716 7650 1 13 . 1 1 50 50 LEU N N 50 121.728 121.728 118.879 2.849 18716 7651 1 13 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.455 -0.318 18716 7652 1 13 . 1 1 50 50 LEU CA C 50 57.299 57.299 54.937 2.362 18716 7653 1 13 . 1 1 50 50 LEU CB C 50 41.563 41.563 42.653 -1.090 18716 7654 1 13 . 1 1 50 50 LEU H H 50 7.765 7.765 7.301 0.464 18716 7655 1 13 . 1 1 51 51 LEU N N 51 112.040 112.040 119.661 -7.621 18716 7656 1 13 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.150 0.076 18716 7657 1 13 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.208 -0.701 18716 7658 1 13 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.902 0.588 18716 7659 1 13 . 1 1 51 51 LEU H H 51 7.412 7.412 7.501 -0.089 18716 7660 1 13 . 1 1 52 52 GLU N N 52 114.540 114.540 114.337 0.203 18716 7661 1 13 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.236 -0.181 18716 7662 1 13 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.854 1.530 18716 7663 1 13 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.279 1.778 18716 7664 1 13 . 1 1 52 52 GLU H H 52 7.500 7.500 8.545 -1.045 18716 7665 1 13 . 1 1 53 53 THR N N 53 122.978 122.978 110.237 12.741 18716 7666 1 13 . 1 1 53 53 THR HA H 53 4.402 4.402 4.404 -0.002 18716 7667 1 13 . 1 1 53 53 THR CA C 53 58.306 58.306 59.688 -1.382 18716 7668 1 13 . 1 1 53 53 THR CB C 53 73.222 73.222 71.612 1.610 18716 7669 1 13 . 1 1 53 53 THR H H 53 7.235 7.235 7.417 -0.182 18716 7670 1 13 . 1 1 54 54 SER N N 54 119.228 119.228 120.766 -1.538 18716 7671 1 13 . 1 1 54 54 SER HA H 54 4.043 4.043 4.128 -0.085 18716 7672 1 13 . 1 1 54 54 SER CA C 54 62.657 62.657 61.432 1.225 18716 7673 1 13 . 1 1 54 54 SER CB C 54 62.562 62.562 62.959 -0.397 18716 7674 1 13 . 1 1 54 54 SER H H 54 9.313 9.313 8.938 0.375 18716 7675 1 13 . 1 1 55 55 GLU N N 55 121.233 121.233 120.080 1.153 18716 7676 1 13 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.305 -0.236 18716 7677 1 13 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.691 0.984 18716 7678 1 13 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.630 -0.630 18716 7679 1 13 . 1 1 55 55 GLU H H 55 8.975 8.975 8.565 0.410 18716 7680 1 13 . 1 1 56 56 GLY N N 56 110.790 110.790 108.168 2.622 18716 7681 1 13 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.341 0.525 18716 7682 1 13 . 1 1 56 56 GLY H H 56 8.517 8.517 8.194 0.323 18716 7683 1 13 . 1 1 57 57 CYS N N 57 118.602 118.602 119.040 -0.438 18716 7684 1 13 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.065 -0.041 18716 7685 1 13 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.992 0.610 18716 7686 1 13 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.684 20.111 18716 7687 1 13 . 1 1 57 57 CYS H H 57 8.134 8.134 7.930 0.204 18716 7688 1 13 . 1 1 58 58 ARG N N 58 119.540 119.540 120.062 -0.522 18716 7689 1 13 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.825 -0.275 18716 7690 1 13 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.433 0.274 18716 7691 1 13 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.743 -0.294 18716 7692 1 13 . 1 1 58 58 ARG H H 58 8.488 8.488 7.697 0.791 18716 7693 1 13 . 1 1 59 59 GLN N N 59 119.852 119.852 117.862 1.990 18716 7694 1 13 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.090 -0.038 18716 7695 1 13 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.845 0.555 18716 7696 1 13 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.683 -0.450 18716 7697 1 13 . 1 1 59 59 GLN H H 59 8.016 8.016 7.653 0.363 18716 7698 1 13 . 1 1 60 60 ILE N N 60 120.790 120.790 120.198 0.592 18716 7699 1 13 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.750 -0.138 18716 7700 1 13 . 1 1 60 60 ILE CA C 60 65.651 65.651 64.924 0.727 18716 7701 1 13 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.072 -0.222 18716 7702 1 13 . 1 1 60 60 ILE H H 60 8.163 8.163 7.758 0.405 18716 7703 1 13 . 1 1 61 61 LEU N N 61 118.915 118.915 119.822 -0.907 18716 7704 1 13 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.188 -0.293 18716 7705 1 13 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.620 1.034 18716 7706 1 13 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.594 -0.818 18716 7707 1 13 . 1 1 61 61 LEU H H 61 8.370 8.370 8.593 -0.223 18716 7708 1 13 . 1 1 62 62 GLY N N 62 104.332 104.332 107.657 -3.325 18716 7709 1 13 . 1 1 62 62 GLY CA C 62 47.184 47.184 47.079 0.105 18716 7710 1 13 . 1 1 62 62 GLY H H 62 7.883 7.883 8.551 -0.668 18716 7711 1 13 . 1 1 63 63 GLN N N 63 119.852 119.852 118.496 1.356 18716 7712 1 13 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.375 -0.227 18716 7713 1 13 . 1 1 63 63 GLN CA C 63 57.873 57.873 56.791 1.082 18716 7714 1 13 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.006 0.109 18716 7715 1 13 . 1 1 63 63 GLN H H 63 7.795 7.795 7.700 0.095 18716 7716 1 13 . 1 1 64 64 LEU N N 64 117.040 117.040 119.091 -2.051 18716 7717 1 13 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.192 0.066 18716 7718 1 13 . 1 1 64 64 LEU CA C 64 56.183 56.183 55.780 0.403 18716 7719 1 13 . 1 1 64 64 LEU CB C 64 44.198 44.198 42.008 2.190 18716 7720 1 13 . 1 1 64 64 LEU H H 64 8.252 8.252 7.315 0.937 18716 7721 1 13 . 1 1 65 65 GLN N N 65 118.915 118.915 118.298 0.617 18716 7722 1 13 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.756 0.023 18716 7723 1 13 . 1 1 65 65 GLN CA C 65 61.547 61.547 59.676 1.871 18716 7724 1 13 . 1 1 65 65 GLN CB C 65 25.864 25.864 27.828 -1.964 18716 7725 1 13 . 1 1 65 65 GLN H H 65 8.104 8.104 8.142 -0.038 18716 7726 1 13 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.300 0.083 18716 7727 1 13 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.581 1.336 18716 7728 1 13 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.248 -0.149 18716 7729 1 13 . 1 1 67 67 SER N N 67 111.415 111.415 112.633 -1.218 18716 7730 1 13 . 1 1 67 67 SER HA H 67 4.493 4.493 4.553 -0.060 18716 7731 1 13 . 1 1 67 67 SER CA C 67 59.696 59.696 56.790 2.906 18716 7732 1 13 . 1 1 67 67 SER CB C 67 64.031 64.031 62.344 1.687 18716 7733 1 13 . 1 1 67 67 SER H H 67 7.824 7.824 7.690 0.134 18716 7734 1 13 . 1 1 68 68 LEU N N 68 121.102 121.102 121.904 -0.802 18716 7735 1 13 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.914 -0.098 18716 7736 1 13 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.042 0.906 18716 7737 1 13 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.732 0.037 18716 7738 1 13 . 1 1 68 68 LEU H H 68 7.647 7.647 7.265 0.382 18716 7739 1 13 . 1 1 69 69 GLN N N 69 116.415 116.415 118.175 -1.760 18716 7740 1 13 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.070 -0.001 18716 7741 1 13 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.264 0.206 18716 7742 1 13 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.955 -0.527 18716 7743 1 13 . 1 1 69 69 GLN H H 69 8.060 8.060 8.413 -0.353 18716 7744 1 13 . 1 1 70 70 THR N N 70 106.728 106.728 112.184 -5.456 18716 7745 1 13 . 1 1 70 70 THR HA H 70 4.481 4.481 4.257 0.224 18716 7746 1 13 . 1 1 70 70 THR CA C 70 61.291 61.291 63.035 -1.744 18716 7747 1 13 . 1 1 70 70 THR CB C 70 69.415 69.415 68.784 0.631 18716 7748 1 13 . 1 1 70 70 THR H H 70 7.515 7.515 8.090 -0.575 18716 7749 1 13 . 1 1 71 71 GLY N N 71 109.540 109.540 110.117 -0.577 18716 7750 1 13 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.529 1.024 18716 7751 1 13 . 1 1 71 71 GLY H H 71 7.692 7.692 7.498 0.194 18716 7752 1 13 . 1 1 72 72 SER N N 72 114.540 114.540 115.639 -1.099 18716 7753 1 13 . 1 1 72 72 SER HA H 72 4.625 4.625 4.659 -0.034 18716 7754 1 13 . 1 1 72 72 SER CA C 72 57.319 57.319 57.282 0.036 18716 7755 1 13 . 1 1 72 72 SER CB C 72 64.599 64.599 65.267 -0.668 18716 7756 1 13 . 1 1 72 72 SER H H 72 8.045 8.045 7.957 0.088 18716 7757 1 13 . 1 1 73 73 GLU N N 73 124.228 124.228 120.263 3.965 18716 7758 1 13 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.103 -0.016 18716 7759 1 13 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.129 -0.749 18716 7760 1 13 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.264 0.038 18716 7761 1 13 . 1 1 73 73 GLU H H 73 9.092 9.092 9.039 0.053 18716 7762 1 13 . 1 1 74 74 GLU N N 74 120.165 120.165 119.439 0.726 18716 7763 1 13 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.387 -0.129 18716 7764 1 13 . 1 1 74 74 GLU CA C 74 60.306 60.306 58.417 1.889 18716 7765 1 13 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.913 -0.451 18716 7766 1 13 . 1 1 74 74 GLU H H 74 8.665 8.665 7.882 0.783 18716 7767 1 13 . 1 1 75 75 LEU N N 75 121.415 121.415 121.363 0.052 18716 7768 1 13 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.181 0.002 18716 7769 1 13 . 1 1 75 75 LEU CA C 75 57.932 57.932 57.495 0.437 18716 7770 1 13 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.167 -0.989 18716 7771 1 13 . 1 1 75 75 LEU H H 75 7.765 7.765 8.026 -0.261 18716 7772 1 13 . 1 1 76 76 ARG N N 76 119.228 119.228 119.789 -0.561 18716 7773 1 13 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.975 -0.042 18716 7774 1 13 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.314 -0.632 18716 7775 1 13 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.263 -1.066 18716 7776 1 13 . 1 1 76 76 ARG H H 76 7.868 7.868 8.219 -0.351 18716 7777 1 13 . 1 1 77 77 SER N N 77 114.228 114.228 116.109 -1.881 18716 7778 1 13 . 1 1 77 77 SER HA H 77 4.263 4.263 4.188 0.075 18716 7779 1 13 . 1 1 77 77 SER CA C 77 62.668 62.668 62.070 0.598 18716 7780 1 13 . 1 1 77 77 SER CB C 77 62.849 62.849 63.168 -0.319 18716 7781 1 13 . 1 1 77 77 SER H H 77 8.576 8.576 7.741 0.835 18716 7782 1 13 . 1 1 78 78 LEU N N 78 125.790 125.790 122.934 2.856 18716 7783 1 13 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.245 0.176 18716 7784 1 13 . 1 1 78 78 LEU CA C 78 58.962 58.962 57.910 1.052 18716 7785 1 13 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.161 0.756 18716 7786 1 13 . 1 1 78 78 LEU H H 78 8.458 8.458 7.727 0.731 18716 7787 1 13 . 1 1 79 79 TYR N N 79 119.852 119.852 119.352 0.500 18716 7788 1 13 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.063 -0.402 18716 7789 1 13 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.702 1.100 18716 7790 1 13 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.309 0.885 18716 7791 1 13 . 1 1 79 79 TYR H H 79 8.694 8.694 8.414 0.280 18716 7792 1 13 . 1 1 80 80 ASN N N 80 117.040 117.040 117.738 -0.698 18716 7793 1 13 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.475 -0.191 18716 7794 1 13 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.632 -0.845 18716 7795 1 13 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.506 -0.667 18716 7796 1 13 . 1 1 80 80 ASN H H 80 8.871 8.871 8.070 0.801 18716 7797 1 13 . 1 1 81 81 THR N N 81 115.790 115.790 118.449 -2.659 18716 7798 1 13 . 1 1 81 81 THR HA H 81 3.945 3.945 4.166 -0.221 18716 7799 1 13 . 1 1 81 81 THR CA C 81 67.855 67.855 66.831 1.024 18716 7800 1 13 . 1 1 81 81 THR CB C 81 69.140 69.140 68.839 0.301 18716 7801 1 13 . 1 1 81 81 THR H H 81 8.119 8.119 8.378 -0.259 18716 7802 1 13 . 1 1 82 82 ILE N N 82 121.102 121.102 121.123 -0.021 18716 7803 1 13 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.738 -0.070 18716 7804 1 13 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.583 -1.063 18716 7805 1 13 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.224 -0.738 18716 7806 1 13 . 1 1 82 82 ILE H H 82 8.090 8.090 8.772 -0.682 18716 7807 1 13 . 1 1 83 83 ALA N N 83 125.165 125.165 122.779 2.386 18716 7808 1 13 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.843 0.048 18716 7809 1 13 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.195 0.660 18716 7810 1 13 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.815 0.026 18716 7811 1 13 . 1 1 83 83 ALA H H 83 8.782 8.782 7.421 1.361 18716 7812 1 13 . 1 1 84 84 VAL N N 84 117.665 117.665 118.709 -1.044 18716 7813 1 13 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.597 -0.269 18716 7814 1 13 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.369 1.096 18716 7815 1 13 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.455 -0.760 18716 7816 1 13 . 1 1 84 84 VAL H H 84 7.795 7.795 7.614 0.181 18716 7817 1 13 . 1 1 85 85 LEU N N 85 122.040 122.040 121.592 0.448 18716 7818 1 13 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.939 -0.124 18716 7819 1 13 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.306 0.004 18716 7820 1 13 . 1 1 85 85 LEU CB C 85 42.148 42.148 42.004 0.144 18716 7821 1 13 . 1 1 85 85 LEU H H 85 8.163 8.163 8.180 -0.017 18716 7822 1 13 . 1 1 86 86 TYR N N 86 118.915 118.915 120.138 -1.223 18716 7823 1 13 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.030 -0.118 18716 7824 1 13 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.735 1.083 18716 7825 1 13 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.218 0.069 18716 7826 1 13 . 1 1 86 86 TYR H H 86 9.062 9.062 8.447 0.615 18716 7827 1 13 . 1 1 87 87 CYS N N 87 116.102 116.102 116.650 -0.548 18716 7828 1 13 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.907 -0.113 18716 7829 1 13 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.551 1.415 18716 7830 1 13 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.591 19.966 18716 7831 1 13 . 1 1 87 87 CYS H H 87 7.515 7.515 7.972 -0.457 18716 7832 1 13 . 1 1 88 88 VAL N N 88 119.978 119.978 119.528 0.450 18716 7833 1 13 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.908 -0.030 18716 7834 1 13 . 1 1 88 88 VAL CA C 88 66.421 66.421 66.140 0.281 18716 7835 1 13 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.659 -0.072 18716 7836 1 13 . 1 1 88 88 VAL H H 88 8.429 8.429 7.286 1.143 18716 7837 1 13 . 1 1 89 89 HIS N N 89 118.915 118.915 114.014 4.901 18716 7838 1 13 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.575 0.300 18716 7839 1 13 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.116 1.004 18716 7840 1 13 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.311 -0.228 18716 7841 1 13 . 1 1 89 89 HIS H H 89 8.797 8.797 7.319 1.478 18716 7842 1 13 . 1 1 90 90 GLN N N 90 116.728 116.728 118.476 -1.748 18716 7843 1 13 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.273 0.112 18716 7844 1 13 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.525 0.764 18716 7845 1 13 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.322 2.631 18716 7846 1 13 . 1 1 90 90 GLN H H 90 7.986 7.986 7.272 0.714 18716 7847 1 13 . 1 1 91 91 ARG N N 91 115.165 115.165 115.880 -0.715 18716 7848 1 13 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.934 0.079 18716 7849 1 13 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.277 -0.094 18716 7850 1 13 . 1 1 91 91 ARG CB C 91 26.049 26.049 26.861 -0.812 18716 7851 1 13 . 1 1 91 91 ARG H H 91 7.883 7.883 7.603 0.280 18716 7852 1 13 . 1 1 92 92 ILE N N 92 120.087 120.087 119.499 0.588 18716 7853 1 13 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.291 -0.306 18716 7854 1 13 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.180 0.476 18716 7855 1 13 . 1 1 92 92 ILE CB C 92 38.930 38.930 40.998 -2.068 18716 7856 1 13 . 1 1 92 92 ILE H H 92 8.335 8.335 8.030 0.305 18716 7857 1 13 . 1 1 93 93 ASP N N 93 129.228 129.228 124.289 4.939 18716 7858 1 13 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.837 -0.352 18716 7859 1 13 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.652 2.391 18716 7860 1 13 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.645 -0.249 18716 7861 1 13 . 1 1 93 93 ASP H H 93 8.620 8.620 8.557 0.063 18716 7862 1 13 . 1 1 94 94 VAL N N 94 115.790 115.790 117.653 -1.863 18716 7863 1 13 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.919 0.714 18716 7864 1 13 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.687 -3.567 18716 7865 1 13 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.579 2.933 18716 7866 1 13 . 1 1 94 94 VAL H H 94 7.751 7.751 7.699 0.052 18716 7867 1 13 . 1 1 95 95 LYS N N 95 118.915 118.915 120.144 -1.229 18716 7868 1 13 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.273 0.120 18716 7869 1 13 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.817 -1.146 18716 7870 1 13 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.047 0.961 18716 7871 1 13 . 1 1 95 95 LYS H H 95 9.239 9.239 8.624 0.615 18716 7872 1 13 . 1 1 96 96 ASP N N 96 112.040 112.040 112.953 -0.913 18716 7873 1 13 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.332 0.230 18716 7874 1 13 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.724 0.105 18716 7875 1 13 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.037 1.567 18716 7876 1 13 . 1 1 96 96 ASP H H 96 7.412 7.412 7.671 -0.259 18716 7877 1 13 . 1 1 97 97 THR N N 97 109.540 109.540 114.486 -4.946 18716 7878 1 13 . 1 1 97 97 THR HA H 97 3.661 3.661 4.117 -0.456 18716 7879 1 13 . 1 1 97 97 THR CA C 97 65.947 65.947 65.608 0.339 18716 7880 1 13 . 1 1 97 97 THR CB C 97 70.285 70.285 68.995 1.290 18716 7881 1 13 . 1 1 97 97 THR H H 97 7.250 7.250 8.300 -1.050 18716 7882 1 13 . 1 1 98 98 LYS N N 98 121.102 121.102 122.217 -1.115 18716 7883 1 13 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.906 0.039 18716 7884 1 13 . 1 1 98 98 LYS CA C 98 59.628 59.628 60.106 -0.478 18716 7885 1 13 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.177 -0.250 18716 7886 1 13 . 1 1 98 98 LYS H H 98 7.868 7.868 8.215 -0.347 18716 7887 1 13 . 1 1 99 99 GLU N N 99 119.228 119.228 118.569 0.659 18716 7888 1 13 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.047 0.030 18716 7889 1 13 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.240 0.555 18716 7890 1 13 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.283 0.963 18716 7891 1 13 . 1 1 99 99 GLU H H 99 8.384 8.384 8.569 -0.185 18716 7892 1 13 . 1 1 100 100 ALA N N 100 118.915 118.915 122.232 -3.317 18716 7893 1 13 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.073 0.313 18716 7894 1 13 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.983 0.413 18716 7895 1 13 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.378 1.381 18716 7896 1 13 . 1 1 100 100 ALA H H 100 7.382 7.382 7.449 -0.067 18716 7897 1 13 . 1 1 101 101 LEU N N 101 117.978 117.978 116.459 1.519 18716 7898 1 13 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.924 0.096 18716 7899 1 13 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.660 0.315 18716 7900 1 13 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.607 -0.114 18716 7901 1 13 . 1 1 101 101 LEU H H 101 8.119 8.119 7.850 0.269 18716 7902 1 13 . 1 1 102 102 ASP N N 102 120.478 120.478 119.473 1.005 18716 7903 1 13 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.517 -0.150 18716 7904 1 13 . 1 1 102 102 ASP CA C 102 57.352 57.352 56.864 0.489 18716 7905 1 13 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.413 -0.691 18716 7906 1 13 . 1 1 102 102 ASP H H 102 8.679 8.679 7.818 0.861 18716 7907 1 13 . 1 1 103 103 LYS N N 103 120.165 120.165 120.651 -0.486 18716 7908 1 13 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.081 0.083 18716 7909 1 13 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.836 -1.472 18716 7910 1 13 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.728 -1.196 18716 7911 1 13 . 1 1 103 103 LYS H H 103 8.207 8.207 7.822 0.385 18716 7912 1 13 . 1 1 104 104 ILE N N 104 119.852 119.852 118.345 1.507 18716 7913 1 13 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.720 0.090 18716 7914 1 13 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.317 -0.709 18716 7915 1 13 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.676 -0.242 18716 7916 1 13 . 1 1 104 104 ILE H H 104 8.163 8.163 8.057 0.106 18716 7917 1 13 . 1 1 105 105 GLU N N 105 121.415 121.415 119.534 1.881 18716 7918 1 13 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.048 -0.013 18716 7919 1 13 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.248 0.386 18716 7920 1 13 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.477 3.279 18716 7921 1 13 . 1 1 105 105 GLU H H 105 8.001 8.001 7.898 0.103 18716 7922 1 13 . 1 1 106 106 GLU N N 106 119.228 119.228 119.291 -0.063 18716 7923 1 13 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.150 -0.060 18716 7924 1 13 . 1 1 106 106 GLU CA C 106 59.267 59.267 58.908 0.359 18716 7925 1 13 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.919 -0.322 18716 7926 1 13 . 1 1 106 106 GLU H H 106 8.031 8.031 7.835 0.196 18716 7927 1 13 . 1 1 107 107 GLU N N 107 118.915 118.915 119.649 -0.734 18716 7928 1 13 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.068 0.005 18716 7929 1 13 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.095 0.246 18716 7930 1 13 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.821 0.049 18716 7931 1 13 . 1 1 107 107 GLU H H 107 8.016 8.016 8.204 -0.188 18716 7932 1 13 . 1 1 108 108 GLN N N 108 118.290 118.290 118.458 -0.168 18716 7933 1 13 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.047 0.100 18716 7934 1 13 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.541 -0.134 18716 7935 1 13 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.509 0.336 18716 7936 1 13 . 1 1 108 108 GLN H H 108 8.252 8.252 7.886 0.366 18716 7937 1 13 . 1 1 109 109 ASN N N 109 118.290 118.290 117.062 1.228 18716 7938 1 13 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.520 0.097 18716 7939 1 13 . 1 1 109 109 ASN CA C 109 54.882 54.882 55.470 -0.588 18716 7940 1 13 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.628 -0.103 18716 7941 1 13 . 1 1 109 109 ASN H H 109 8.252 8.252 7.627 0.625 18716 7942 1 13 . 1 1 110 110 LYS N N 110 120.478 120.478 119.092 1.386 18716 7943 1 13 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.124 0.106 18716 7944 1 13 . 1 1 110 110 LYS CA C 110 58.311 58.311 58.956 -0.645 18716 7945 1 13 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.447 0.245 18716 7946 1 13 . 1 1 110 110 LYS H H 110 8.031 8.031 7.418 0.613 18716 7947 1 13 . 1 1 111 111 SER N N 111 114.540 114.540 115.210 -0.670 18716 7948 1 13 . 1 1 111 111 SER HA H 111 4.368 4.368 4.248 0.120 18716 7949 1 13 . 1 1 111 111 SER CA C 111 59.764 59.764 61.653 -1.889 18716 7950 1 13 . 1 1 111 111 SER CB C 111 63.442 63.442 62.965 0.477 18716 7951 1 13 . 1 1 111 111 SER H H 111 8.031 8.031 7.695 0.336 18716 7952 1 13 . 1 1 112 112 LYS N N 112 122.040 122.040 121.578 0.462 18716 7953 1 13 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.004 0.241 18716 7954 1 13 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.211 -1.882 18716 7955 1 13 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.206 0.569 18716 7956 1 13 . 1 1 112 112 LYS H H 112 7.957 7.957 7.621 0.336 18716 7957 1 13 . 1 1 113 113 LYS N N 113 120.790 120.790 118.343 2.447 18716 7958 1 13 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.018 0.132 18716 7959 1 13 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.104 0.030 18716 7960 1 13 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.386 0.380 18716 7961 1 13 . 1 1 113 113 LYS H H 113 8.016 8.016 7.498 0.518 18716 7962 1 13 . 1 1 114 114 LYS N N 114 121.728 121.728 119.082 2.646 18716 7963 1 13 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.166 0.097 18716 7964 1 13 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.321 -1.135 18716 7965 1 13 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.492 0.365 18716 7966 1 13 . 1 1 114 114 LYS H H 114 8.119 8.119 7.819 0.300 18716 7967 1 13 . 1 1 115 115 ALA N N 115 124.228 124.228 121.737 2.491 18716 7968 1 13 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.118 0.150 18716 7969 1 13 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.467 -1.432 18716 7970 1 13 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.922 0.117 18716 7971 1 13 . 1 1 115 115 ALA H H 115 8.178 8.178 7.682 0.496 18716 7972 1 13 . 1 1 116 116 GLN N N 116 119.228 119.228 117.322 1.906 18716 7973 1 13 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.358 -0.110 18716 7974 1 13 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.896 0.653 18716 7975 1 13 . 1 1 116 116 GLN H H 116 8.237 8.237 7.782 0.455 18716 7976 1 13 . 1 1 117 117 GLN N N 117 120.478 120.478 117.047 3.431 18716 7977 1 13 . 1 1 117 117 GLN HA H 117 4.269 4.269 3.977 0.292 18716 7978 1 13 . 1 1 117 117 GLN CA C 117 56.324 56.324 56.529 -0.205 18716 7979 1 13 . 1 1 117 117 GLN CB C 117 29.606 29.606 27.931 1.675 18716 7980 1 13 . 1 1 117 117 GLN H H 117 8.266 8.266 8.213 0.053 18716 7981 1 13 . 1 1 118 118 ALA N N 118 124.852 124.852 118.854 5.998 18716 7982 1 13 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.260 0.016 18716 7983 1 13 . 1 1 118 118 ALA CA C 118 52.837 52.837 52.445 0.392 18716 7984 1 13 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.907 0.155 18716 7985 1 13 . 1 1 118 118 ALA H H 118 8.266 8.266 7.970 0.296 18716 7986 1 13 . 1 1 119 119 ALA N N 119 122.978 122.978 121.695 1.283 18716 7987 1 13 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.551 -0.257 18716 7988 1 13 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.533 0.104 18716 7989 1 13 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.324 0.877 18716 7990 1 13 . 1 1 119 119 ALA H H 119 8.163 8.163 8.170 -0.007 18716 7991 1 13 . 1 1 120 120 ALA N N 120 122.665 122.665 121.433 1.232 18716 7992 1 13 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.453 -0.176 18716 7993 1 13 . 1 1 120 120 ALA CA C 120 52.736 52.736 53.749 -1.013 18716 7994 1 13 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.661 -0.494 18716 7995 1 13 . 1 1 120 120 ALA H H 120 8.163 8.163 8.171 -0.008 18716 7996 1 13 . 1 1 121 121 ASP N N 121 119.228 119.228 117.380 1.848 18716 7997 1 13 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.696 -0.013 18716 7998 1 13 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.539 -0.275 18716 7999 1 13 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.588 -0.460 18716 8000 1 13 . 1 1 121 121 ASP H H 121 8.252 8.252 8.525 -0.273 18716 8001 1 13 . 1 1 122 122 THR N N 122 113.602 113.602 112.877 0.725 18716 8002 1 13 . 1 1 122 122 THR HA H 122 4.358 4.358 3.988 0.370 18716 8003 1 13 . 1 1 122 122 THR CA C 122 61.971 61.971 62.749 -0.778 18716 8004 1 13 . 1 1 122 122 THR CB C 122 69.586 69.586 67.914 1.672 18716 8005 1 13 . 1 1 122 122 THR H H 122 8.075 8.075 7.742 0.333 18716 8006 1 13 . 1 1 123 123 GLY N N 123 110.478 110.478 108.782 1.696 18716 8007 1 13 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.932 -0.329 18716 8008 1 13 . 1 1 123 123 GLY H H 123 8.414 8.414 8.397 0.017 18716 8009 1 13 . 1 1 124 124 ASN N N 124 118.602 118.602 119.111 -0.509 18716 8010 1 13 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.651 -0.043 18716 8011 1 13 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.584 2.149 18716 8012 1 13 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.959 -2.421 18716 8013 1 13 . 1 1 124 124 ASN H H 124 8.266 8.266 8.315 -0.049 18716 8014 1 13 . 1 1 125 125 ASN N N 125 119.228 119.228 120.576 -1.348 18716 8015 1 13 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.961 -0.237 18716 8016 1 13 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.284 0.169 18716 8017 1 13 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.094 -0.282 18716 8018 1 13 . 1 1 125 125 ASN H H 125 8.443 8.443 8.547 -0.104 18716 8019 1 13 . 1 1 126 126 SER N N 126 115.790 115.790 115.274 0.516 18716 8020 1 13 . 1 1 126 126 SER HA H 126 4.388 4.388 4.440 -0.052 18716 8021 1 13 . 1 1 126 126 SER CA C 126 58.851 58.851 58.046 0.805 18716 8022 1 13 . 1 1 126 126 SER CB C 126 63.926 63.926 64.228 -0.302 18716 8023 1 13 . 1 1 126 126 SER H H 126 8.266 8.266 8.403 -0.137 18716 8024 1 13 . 1 1 127 127 GLN N N 127 121.728 121.728 121.795 -0.067 18716 8025 1 13 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.741 -0.418 18716 8026 1 13 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.946 0.277 18716 8027 1 13 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.927 -0.759 18716 8028 1 13 . 1 1 127 127 GLN H H 127 8.355 8.355 8.384 -0.029 18716 8029 1 13 . 1 1 128 128 VAL N N 128 119.852 119.852 121.172 -1.320 18716 8030 1 13 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.492 -0.383 18716 8031 1 13 . 1 1 128 128 VAL CA C 128 62.665 62.665 60.810 1.855 18716 8032 1 13 . 1 1 128 128 VAL CB C 128 32.769 32.769 33.582 -0.813 18716 8033 1 13 . 1 1 128 128 VAL H H 128 7.986 7.986 8.139 -0.153 18716 8034 1 13 . 1 1 129 129 SER N N 129 117.978 117.978 118.817 -0.839 18716 8035 1 13 . 1 1 129 129 SER HA H 129 4.136 4.136 4.663 -0.527 18716 8036 1 13 . 1 1 129 129 SER CA C 129 58.404 58.404 57.960 0.444 18716 8037 1 13 . 1 1 129 129 SER CB C 129 63.755 63.755 63.324 0.431 18716 8038 1 13 . 1 1 129 129 SER H H 129 8.252 8.252 8.194 0.058 18716 8039 1 13 . 1 1 130 130 GLN N N 130 121.728 121.728 124.524 -2.796 18716 8040 1 13 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.513 -0.158 18716 8041 1 13 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.646 0.504 18716 8042 1 13 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.457 -0.084 18716 8043 1 13 . 1 1 130 130 GLN H H 130 8.355 8.355 8.666 -0.311 18716 8044 1 13 . 1 1 131 131 ASN N N 131 118.290 118.290 123.952 -5.662 18716 8045 1 13 . 1 1 131 131 ASN HA H 131 4.632 4.632 5.030 -0.398 18716 8046 1 13 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.710 -0.142 18716 8047 1 13 . 1 1 131 131 ASN H H 131 8.252 8.252 8.848 -0.596 18716 8048 1 14 . 1 1 3 3 ALA N N 3 123.842 123.842 124.064 -0.222 18716 8049 1 14 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.287 0.041 18716 8050 1 14 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.517 0.020 18716 8051 1 14 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.401 -2.150 18716 8052 1 14 . 1 1 3 3 ALA H H 3 8.183 8.183 8.166 0.017 18716 8053 1 14 . 1 1 4 4 ARG N N 4 120.165 120.165 122.590 -2.425 18716 8054 1 14 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.457 -0.201 18716 8055 1 14 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.378 -0.413 18716 8056 1 14 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.208 -0.247 18716 8057 1 14 . 1 1 4 4 ARG H H 4 8.429 8.429 8.550 -0.121 18716 8058 1 14 . 1 1 5 5 ALA N N 5 125.165 125.165 128.927 -3.762 18716 8059 1 14 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.652 -0.370 18716 8060 1 14 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.664 0.707 18716 8061 1 14 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.820 -0.147 18716 8062 1 14 . 1 1 5 5 ALA H H 5 8.370 8.370 8.386 -0.016 18716 8063 1 14 . 1 1 6 6 SER N N 6 114.540 114.540 117.951 -3.411 18716 8064 1 14 . 1 1 6 6 SER HA H 6 4.479 4.479 4.732 -0.253 18716 8065 1 14 . 1 1 6 6 SER CA C 6 57.804 57.804 57.558 0.246 18716 8066 1 14 . 1 1 6 6 SER CB C 6 64.034 64.034 64.769 -0.735 18716 8067 1 14 . 1 1 6 6 SER H H 6 8.134 8.134 8.289 -0.155 18716 8068 1 14 . 1 1 7 7 VAL N N 7 121.415 121.415 122.173 -0.758 18716 8069 1 14 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.083 -0.466 18716 8070 1 14 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.549 2.162 18716 8071 1 14 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.070 -0.134 18716 8072 1 14 . 1 1 7 7 VAL H H 7 8.119 8.119 8.217 -0.098 18716 8073 1 14 . 1 1 8 8 LEU N N 8 115.478 115.478 120.065 -4.587 18716 8074 1 14 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.757 0.157 18716 8075 1 14 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.382 -0.907 18716 8076 1 14 . 1 1 8 8 LEU CB C 8 44.314 44.314 42.457 1.857 18716 8077 1 14 . 1 1 8 8 LEU H H 8 7.382 7.382 7.597 -0.215 18716 8078 1 14 . 1 1 9 9 SER N N 9 118.290 118.290 120.204 -1.914 18716 8079 1 14 . 1 1 9 9 SER HA H 9 4.606 4.606 4.427 0.179 18716 8080 1 14 . 1 1 9 9 SER CA C 9 57.197 57.197 57.899 -0.702 18716 8081 1 14 . 1 1 9 9 SER CB C 9 65.426 65.426 64.933 0.493 18716 8082 1 14 . 1 1 9 9 SER H H 9 9.166 9.166 8.886 0.280 18716 8083 1 14 . 1 1 10 10 GLY N N 10 109.228 109.228 108.464 0.764 18716 8084 1 14 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.911 0.763 18716 8085 1 14 . 1 1 10 10 GLY H H 10 8.959 8.959 8.687 0.272 18716 8086 1 14 . 1 1 11 11 GLY N N 11 111.102 111.102 109.879 1.223 18716 8087 1 14 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.494 0.167 18716 8088 1 14 . 1 1 11 11 GLY H H 11 8.782 8.782 7.829 0.953 18716 8089 1 14 . 1 1 12 12 GLU N N 12 120.165 120.165 122.156 -1.991 18716 8090 1 14 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.049 -0.099 18716 8091 1 14 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.753 0.343 18716 8092 1 14 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.554 1.736 18716 8093 1 14 . 1 1 12 12 GLU H H 12 7.751 7.751 7.535 0.216 18716 8094 1 14 . 1 1 13 13 LEU N N 13 121.415 121.415 122.068 -0.653 18716 8095 1 14 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.011 0.097 18716 8096 1 14 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.385 -0.323 18716 8097 1 14 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.798 -0.862 18716 8098 1 14 . 1 1 13 13 LEU H H 13 8.340 8.340 8.426 -0.086 18716 8099 1 14 . 1 1 14 14 ASP N N 14 116.415 116.415 118.648 -2.233 18716 8100 1 14 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.365 0.028 18716 8101 1 14 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.272 -0.136 18716 8102 1 14 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.396 0.690 18716 8103 1 14 . 1 1 14 14 ASP H H 14 7.574 7.574 7.864 -0.290 18716 8104 1 14 . 1 1 15 15 LYS N N 15 115.478 115.478 119.451 -3.973 18716 8105 1 14 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.130 -0.084 18716 8106 1 14 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.005 -0.603 18716 8107 1 14 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.469 -0.110 18716 8108 1 14 . 1 1 15 15 LYS H H 15 7.117 7.117 7.538 -0.421 18716 8109 1 14 . 1 1 16 16 TRP N N 16 121.693 121.693 122.203 -0.510 18716 8110 1 14 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.275 -0.250 18716 8111 1 14 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.729 -0.443 18716 8112 1 14 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.479 1.635 18716 8113 1 14 . 1 1 16 16 TRP H H 16 8.646 8.646 8.586 0.060 18716 8114 1 14 . 1 1 17 17 GLU N N 17 127.710 127.710 115.650 12.060 18716 8115 1 14 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.495 0.196 18716 8116 1 14 . 1 1 17 17 GLU CA C 17 56.769 56.769 57.783 -1.014 18716 8117 1 14 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.712 0.034 18716 8118 1 14 . 1 1 17 17 GLU H H 17 7.571 7.571 7.881 -0.310 18716 8119 1 14 . 1 1 18 18 LYS N N 18 115.790 115.790 119.503 -3.713 18716 8120 1 14 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.376 0.121 18716 8121 1 14 . 1 1 18 18 LYS CA C 18 55.569 55.569 55.617 -0.048 18716 8122 1 14 . 1 1 18 18 LYS CB C 18 33.939 33.939 32.803 1.136 18716 8123 1 14 . 1 1 18 18 LYS H H 18 7.456 7.456 7.622 -0.166 18716 8124 1 14 . 1 1 19 19 ILE N N 19 124.228 124.228 119.659 4.569 18716 8125 1 14 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.458 -0.901 18716 8126 1 14 . 1 1 19 19 ILE CA C 19 63.120 63.120 59.664 3.456 18716 8127 1 14 . 1 1 19 19 ILE CB C 19 38.182 38.182 41.047 -2.865 18716 8128 1 14 . 1 1 19 19 ILE H H 19 7.633 7.633 7.189 0.444 18716 8129 1 14 . 1 1 20 20 ARG N N 20 125.790 125.790 124.644 1.146 18716 8130 1 14 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.663 -0.235 18716 8131 1 14 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.898 0.597 18716 8132 1 14 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.297 0.240 18716 8133 1 14 . 1 1 20 20 ARG H H 20 8.031 8.031 8.637 -0.606 18716 8134 1 14 . 1 1 21 21 LEU N N 21 120.165 120.165 121.841 -1.676 18716 8135 1 14 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.888 -0.457 18716 8136 1 14 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.662 1.573 18716 8137 1 14 . 1 1 21 21 LEU CB C 21 41.554 41.554 42.037 -0.483 18716 8138 1 14 . 1 1 21 21 LEU H H 21 7.810 7.810 7.772 0.038 18716 8139 1 14 . 1 1 22 22 ARG N N 22 119.540 119.540 115.995 3.545 18716 8140 1 14 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.646 0.199 18716 8141 1 14 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.284 -0.440 18716 8142 1 14 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.107 -0.490 18716 8143 1 14 . 1 1 22 22 ARG H H 22 8.974 8.974 7.626 1.348 18716 8144 1 14 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.606 -0.246 18716 8145 1 14 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.579 -1.143 18716 8146 1 14 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.216 -0.651 18716 8147 1 14 . 1 1 24 24 GLY N N 24 112.665 112.665 105.678 6.987 18716 8148 1 14 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.516 1.289 18716 8149 1 14 . 1 1 24 24 GLY H H 24 9.138 9.138 8.221 0.917 18716 8150 1 14 . 1 1 25 25 GLY N N 25 107.978 107.978 108.205 -0.227 18716 8151 1 14 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.002 0.570 18716 8152 1 14 . 1 1 25 25 GLY H H 25 8.134 8.134 7.216 0.918 18716 8153 1 14 . 1 1 26 26 LYS N N 26 117.665 117.665 118.686 -1.021 18716 8154 1 14 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.360 -0.096 18716 8155 1 14 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.216 0.637 18716 8156 1 14 . 1 1 26 26 LYS CB C 26 34.056 34.056 33.208 0.848 18716 8157 1 14 . 1 1 26 26 LYS H H 26 8.665 8.665 8.313 0.352 18716 8158 1 14 . 1 1 27 27 LYS N N 27 117.925 117.925 121.685 -3.760 18716 8159 1 14 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.128 0.183 18716 8160 1 14 . 1 1 27 27 LYS CA C 27 57.211 57.211 57.292 -0.081 18716 8161 1 14 . 1 1 27 27 LYS CB C 27 33.878 33.878 32.824 1.054 18716 8162 1 14 . 1 1 27 27 LYS H H 27 7.817 7.817 8.078 -0.261 18716 8163 1 14 . 1 1 28 28 GLN N N 28 122.978 122.978 119.813 3.165 18716 8164 1 14 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.893 -0.077 18716 8165 1 14 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.651 -0.178 18716 8166 1 14 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.667 3.387 18716 8167 1 14 . 1 1 28 28 GLN H H 28 8.458 8.458 8.248 0.210 18716 8168 1 14 . 1 1 29 29 TYR N N 29 119.540 119.540 119.095 0.445 18716 8169 1 14 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.667 -0.935 18716 8170 1 14 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.288 2.722 18716 8171 1 14 . 1 1 29 29 TYR CB C 29 37.216 37.216 40.152 -2.936 18716 8172 1 14 . 1 1 29 29 TYR H H 29 7.824 7.824 8.251 -0.427 18716 8173 1 14 . 1 1 30 30 LYS N N 30 117.978 117.978 120.901 -2.923 18716 8174 1 14 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.876 0.340 18716 8175 1 14 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.906 -0.841 18716 8176 1 14 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.182 2.406 18716 8177 1 14 . 1 1 30 30 LYS H H 30 10.610 10.610 9.010 1.600 18716 8178 1 14 . 1 1 31 31 LEU N N 31 128.602 128.602 124.800 3.802 18716 8179 1 14 . 1 1 31 31 LEU HA H 31 4.181 4.181 3.952 0.229 18716 8180 1 14 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.462 0.772 18716 8181 1 14 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.736 -0.735 18716 8182 1 14 . 1 1 31 31 LEU H H 31 9.991 9.991 8.884 1.107 18716 8183 1 14 . 1 1 32 32 LYS N N 32 115.165 115.165 118.961 -3.796 18716 8184 1 14 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.933 0.212 18716 8185 1 14 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.544 -0.447 18716 8186 1 14 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.989 -0.430 18716 8187 1 14 . 1 1 32 32 LYS H H 32 8.399 8.399 8.530 -0.131 18716 8188 1 14 . 1 1 33 33 HIS N N 33 119.540 119.540 117.569 1.971 18716 8189 1 14 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.654 -0.050 18716 8190 1 14 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.198 3.693 18716 8191 1 14 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.544 2.240 18716 8192 1 14 . 1 1 33 33 HIS H H 33 8.193 8.193 7.832 0.361 18716 8193 1 14 . 1 1 34 34 ILE N N 34 119.540 119.540 120.706 -1.166 18716 8194 1 14 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.693 0.101 18716 8195 1 14 . 1 1 34 34 ILE CA C 34 63.848 63.848 65.304 -1.456 18716 8196 1 14 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.498 -0.519 18716 8197 1 14 . 1 1 34 34 ILE H H 34 7.898 7.898 7.596 0.302 18716 8198 1 14 . 1 1 35 35 VAL N N 35 122.040 122.040 118.682 3.358 18716 8199 1 14 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.733 -0.121 18716 8200 1 14 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.746 0.000 18716 8201 1 14 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.319 0.823 18716 8202 1 14 . 1 1 35 35 VAL H H 35 7.706 7.706 8.273 -0.567 18716 8203 1 14 . 1 1 36 36 TRP N N 36 119.986 119.986 122.323 -2.337 18716 8204 1 14 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.180 0.053 18716 8205 1 14 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.133 -0.023 18716 8206 1 14 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.209 -0.797 18716 8207 1 14 . 1 1 36 36 TRP H H 36 8.452 8.452 7.829 0.623 18716 8208 1 14 . 1 1 37 37 ALA N N 37 120.478 120.478 120.058 0.420 18716 8209 1 14 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.575 -0.183 18716 8210 1 14 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.272 -0.135 18716 8211 1 14 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.081 -0.651 18716 8212 1 14 . 1 1 37 37 ALA H H 37 8.311 8.311 8.293 0.018 18716 8213 1 14 . 1 1 38 38 SER N N 38 111.415 111.415 113.412 -1.997 18716 8214 1 14 . 1 1 38 38 SER HA H 38 3.906 3.906 3.950 -0.044 18716 8215 1 14 . 1 1 38 38 SER CA C 38 62.801 62.801 61.962 0.839 18716 8216 1 14 . 1 1 38 38 SER CB C 38 62.829 62.829 62.982 -0.153 18716 8217 1 14 . 1 1 38 38 SER H H 38 8.259 8.259 7.618 0.641 18716 8218 1 14 . 1 1 39 39 ARG N N 39 119.852 119.852 120.685 -0.833 18716 8219 1 14 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.952 0.194 18716 8220 1 14 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.255 -0.845 18716 8221 1 14 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.108 -0.100 18716 8222 1 14 . 1 1 39 39 ARG H H 39 7.559 7.559 7.298 0.261 18716 8223 1 14 . 1 1 40 40 GLU N N 40 121.102 121.102 119.304 1.798 18716 8224 1 14 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.782 0.005 18716 8225 1 14 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.441 -0.161 18716 8226 1 14 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.705 0.969 18716 8227 1 14 . 1 1 40 40 GLU H H 40 8.222 8.222 7.461 0.761 18716 8228 1 14 . 1 1 41 41 LEU N N 41 117.040 117.040 120.589 -3.549 18716 8229 1 14 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.057 -0.097 18716 8230 1 14 . 1 1 41 41 LEU CA C 41 58.297 58.297 58.181 0.116 18716 8231 1 14 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.850 -1.670 18716 8232 1 14 . 1 1 41 41 LEU H H 41 8.016 8.016 8.262 -0.246 18716 8233 1 14 . 1 1 42 42 GLU N N 42 117.352 117.352 118.121 -0.769 18716 8234 1 14 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.099 0.028 18716 8235 1 14 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.292 0.279 18716 8236 1 14 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.177 0.488 18716 8237 1 14 . 1 1 42 42 GLU H H 42 7.559 7.559 7.751 -0.192 18716 8238 1 14 . 1 1 43 43 ARG N N 43 119.540 119.540 119.028 0.512 18716 8239 1 14 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.004 0.023 18716 8240 1 14 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.396 0.205 18716 8241 1 14 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.031 -0.366 18716 8242 1 14 . 1 1 43 43 ARG H H 43 7.647 7.647 7.173 0.474 18716 8243 1 14 . 1 1 44 44 PHE N N 44 117.665 117.665 118.321 -0.656 18716 8244 1 14 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.655 -0.039 18716 8245 1 14 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.782 0.642 18716 8246 1 14 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.277 0.877 18716 8247 1 14 . 1 1 44 44 PHE H H 44 7.529 7.529 7.624 -0.095 18716 8248 1 14 . 1 1 45 45 ALA N N 45 118.915 118.915 119.543 -0.628 18716 8249 1 14 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.954 0.061 18716 8250 1 14 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.223 0.191 18716 8251 1 14 . 1 1 45 45 ALA CB C 45 16.281 16.281 17.136 -0.855 18716 8252 1 14 . 1 1 45 45 ALA H H 45 7.928 7.928 7.709 0.219 18716 8253 1 14 . 1 1 46 46 VAL N N 46 119.540 119.540 119.314 0.226 18716 8254 1 14 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.210 -0.115 18716 8255 1 14 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.162 0.627 18716 8256 1 14 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.106 0.314 18716 8257 1 14 . 1 1 46 46 VAL H H 46 7.765 7.765 7.652 0.113 18716 8258 1 14 . 1 1 47 47 ASN N N 47 125.790 125.790 127.036 -1.246 18716 8259 1 14 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.738 -0.092 18716 8260 1 14 . 1 1 47 47 ASN CA C 47 50.997 50.997 53.152 -2.155 18716 8261 1 14 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.334 0.752 18716 8262 1 14 . 1 1 47 47 ASN H H 47 8.399 8.399 8.798 -0.399 18716 8263 1 14 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.374 -0.152 18716 8264 1 14 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.239 0.075 18716 8265 1 14 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.961 -0.221 18716 8266 1 14 . 1 1 49 49 GLY N N 49 108.290 108.290 106.924 1.366 18716 8267 1 14 . 1 1 49 49 GLY CA C 49 46.530 46.530 45.127 1.403 18716 8268 1 14 . 1 1 49 49 GLY H H 49 8.620 8.620 8.263 0.357 18716 8269 1 14 . 1 1 50 50 LEU N N 50 121.728 121.728 120.003 1.725 18716 8270 1 14 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.535 -0.398 18716 8271 1 14 . 1 1 50 50 LEU CA C 50 57.299 57.299 54.148 3.151 18716 8272 1 14 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.051 0.512 18716 8273 1 14 . 1 1 50 50 LEU H H 50 7.765 7.765 7.287 0.478 18716 8274 1 14 . 1 1 51 51 LEU N N 51 112.040 112.040 117.423 -5.383 18716 8275 1 14 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.540 -0.314 18716 8276 1 14 . 1 1 51 51 LEU CA C 51 56.507 56.507 55.664 0.843 18716 8277 1 14 . 1 1 51 51 LEU CB C 51 42.490 42.490 43.501 -1.011 18716 8278 1 14 . 1 1 51 51 LEU H H 51 7.412 7.412 7.408 0.004 18716 8279 1 14 . 1 1 52 52 GLU N N 52 114.540 114.540 117.903 -3.363 18716 8280 1 14 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.176 -0.121 18716 8281 1 14 . 1 1 52 52 GLU CA C 52 58.384 58.384 57.461 0.923 18716 8282 1 14 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.435 1.623 18716 8283 1 14 . 1 1 52 52 GLU H H 52 7.500 7.500 8.482 -0.982 18716 8284 1 14 . 1 1 53 53 THR N N 53 122.978 122.978 108.849 14.129 18716 8285 1 14 . 1 1 53 53 THR HA H 53 4.402 4.402 4.401 0.001 18716 8286 1 14 . 1 1 53 53 THR CA C 53 58.306 58.306 59.197 -0.891 18716 8287 1 14 . 1 1 53 53 THR CB C 53 73.222 73.222 71.745 1.477 18716 8288 1 14 . 1 1 53 53 THR H H 53 7.235 7.235 7.406 -0.171 18716 8289 1 14 . 1 1 54 54 SER N N 54 119.228 119.228 120.690 -1.462 18716 8290 1 14 . 1 1 54 54 SER HA H 54 4.043 4.043 4.148 -0.105 18716 8291 1 14 . 1 1 54 54 SER CA C 54 62.657 62.657 61.513 1.144 18716 8292 1 14 . 1 1 54 54 SER CB C 54 62.562 62.562 62.987 -0.425 18716 8293 1 14 . 1 1 54 54 SER H H 54 9.313 9.313 8.946 0.367 18716 8294 1 14 . 1 1 55 55 GLU N N 55 121.233 121.233 119.642 1.591 18716 8295 1 14 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.275 -0.206 18716 8296 1 14 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.786 0.889 18716 8297 1 14 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.503 -0.503 18716 8298 1 14 . 1 1 55 55 GLU H H 55 8.975 8.975 8.533 0.442 18716 8299 1 14 . 1 1 56 56 GLY N N 56 110.790 110.790 108.740 2.050 18716 8300 1 14 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.298 0.568 18716 8301 1 14 . 1 1 56 56 GLY H H 56 8.517 8.517 8.347 0.170 18716 8302 1 14 . 1 1 57 57 CYS N N 57 118.602 118.602 119.755 -1.153 18716 8303 1 14 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.223 -0.199 18716 8304 1 14 . 1 1 57 57 CYS CA C 57 64.602 64.602 62.010 2.592 18716 8305 1 14 . 1 1 57 57 CYS CB C 57 47.795 47.795 26.876 20.919 18716 8306 1 14 . 1 1 57 57 CYS H H 57 8.134 8.134 7.975 0.159 18716 8307 1 14 . 1 1 58 58 ARG N N 58 119.540 119.540 120.113 -0.573 18716 8308 1 14 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.801 -0.251 18716 8309 1 14 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.944 -0.237 18716 8310 1 14 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.983 -0.534 18716 8311 1 14 . 1 1 58 58 ARG H H 58 8.488 8.488 7.753 0.735 18716 8312 1 14 . 1 1 59 59 GLN N N 59 119.852 119.852 117.825 2.027 18716 8313 1 14 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.114 -0.062 18716 8314 1 14 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.353 1.047 18716 8315 1 14 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.351 -0.117 18716 8316 1 14 . 1 1 59 59 GLN H H 59 8.016 8.016 7.657 0.359 18716 8317 1 14 . 1 1 60 60 ILE N N 60 120.790 120.790 120.522 0.268 18716 8318 1 14 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.751 -0.139 18716 8319 1 14 . 1 1 60 60 ILE CA C 60 65.651 65.651 64.930 0.721 18716 8320 1 14 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.040 -0.190 18716 8321 1 14 . 1 1 60 60 ILE H H 60 8.163 8.163 7.557 0.606 18716 8322 1 14 . 1 1 61 61 LEU N N 61 118.915 118.915 120.371 -1.456 18716 8323 1 14 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.092 -0.197 18716 8324 1 14 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.843 0.811 18716 8325 1 14 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.616 -0.840 18716 8326 1 14 . 1 1 61 61 LEU H H 61 8.370 8.370 8.690 -0.320 18716 8327 1 14 . 1 1 62 62 GLY N N 62 104.332 104.332 106.920 -2.588 18716 8328 1 14 . 1 1 62 62 GLY CA C 62 47.184 47.184 47.083 0.101 18716 8329 1 14 . 1 1 62 62 GLY H H 62 7.883 7.883 8.435 -0.552 18716 8330 1 14 . 1 1 63 63 GLN N N 63 119.852 119.852 118.629 1.223 18716 8331 1 14 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.285 -0.137 18716 8332 1 14 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.199 0.674 18716 8333 1 14 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.154 -0.039 18716 8334 1 14 . 1 1 63 63 GLN H H 63 7.795 7.795 7.762 0.033 18716 8335 1 14 . 1 1 64 64 LEU N N 64 117.040 117.040 120.425 -3.385 18716 8336 1 14 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.008 0.250 18716 8337 1 14 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.691 -0.508 18716 8338 1 14 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.988 2.210 18716 8339 1 14 . 1 1 64 64 LEU H H 64 8.252 8.252 7.565 0.687 18716 8340 1 14 . 1 1 65 65 GLN N N 65 118.915 118.915 119.828 -0.913 18716 8341 1 14 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.816 -0.037 18716 8342 1 14 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.982 0.565 18716 8343 1 14 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.876 -1.012 18716 8344 1 14 . 1 1 65 65 GLN H H 65 8.104 8.104 8.538 -0.434 18716 8345 1 14 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.328 0.055 18716 8346 1 14 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.908 1.009 18716 8347 1 14 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.313 -0.214 18716 8348 1 14 . 1 1 67 67 SER N N 67 111.415 111.415 114.501 -3.086 18716 8349 1 14 . 1 1 67 67 SER HA H 67 4.493 4.493 4.302 0.191 18716 8350 1 14 . 1 1 67 67 SER CA C 67 59.696 59.696 60.420 -0.724 18716 8351 1 14 . 1 1 67 67 SER CB C 67 64.031 64.031 63.046 0.985 18716 8352 1 14 . 1 1 67 67 SER H H 67 7.824 7.824 7.467 0.357 18716 8353 1 14 . 1 1 68 68 LEU N N 68 121.102 121.102 121.972 -0.870 18716 8354 1 14 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.828 -0.012 18716 8355 1 14 . 1 1 68 68 LEU CA C 68 57.948 57.948 58.024 -0.076 18716 8356 1 14 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.444 0.325 18716 8357 1 14 . 1 1 68 68 LEU H H 68 7.647 7.647 8.019 -0.372 18716 8358 1 14 . 1 1 69 69 GLN N N 69 116.415 116.415 118.470 -2.055 18716 8359 1 14 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.076 -0.007 18716 8360 1 14 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.381 0.089 18716 8361 1 14 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.071 -0.643 18716 8362 1 14 . 1 1 69 69 GLN H H 69 8.060 8.060 8.352 -0.292 18716 8363 1 14 . 1 1 70 70 THR N N 70 106.728 106.728 112.048 -5.320 18716 8364 1 14 . 1 1 70 70 THR HA H 70 4.481 4.481 4.509 -0.028 18716 8365 1 14 . 1 1 70 70 THR CA C 70 61.291 61.291 61.383 -0.091 18716 8366 1 14 . 1 1 70 70 THR CB C 70 69.415 69.415 69.196 0.219 18716 8367 1 14 . 1 1 70 70 THR H H 70 7.515 7.515 7.598 -0.083 18716 8368 1 14 . 1 1 71 71 GLY N N 71 109.540 109.540 110.247 -0.707 18716 8369 1 14 . 1 1 71 71 GLY CA C 71 45.553 45.553 43.890 1.663 18716 8370 1 14 . 1 1 71 71 GLY H H 71 7.692 7.692 7.501 0.191 18716 8371 1 14 . 1 1 72 72 SER N N 72 114.540 114.540 115.359 -0.819 18716 8372 1 14 . 1 1 72 72 SER HA H 72 4.625 4.625 4.580 0.045 18716 8373 1 14 . 1 1 72 72 SER CA C 72 57.319 57.319 57.487 -0.168 18716 8374 1 14 . 1 1 72 72 SER CB C 72 64.599 64.599 64.831 -0.232 18716 8375 1 14 . 1 1 72 72 SER H H 72 8.045 8.045 8.060 -0.015 18716 8376 1 14 . 1 1 73 73 GLU N N 73 124.228 124.228 121.088 3.140 18716 8377 1 14 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.055 0.032 18716 8378 1 14 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.680 -0.300 18716 8379 1 14 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.573 -0.271 18716 8380 1 14 . 1 1 73 73 GLU H H 73 9.092 9.092 8.988 0.104 18716 8381 1 14 . 1 1 74 74 GLU N N 74 120.165 120.165 118.932 1.233 18716 8382 1 14 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.329 -0.071 18716 8383 1 14 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.113 1.193 18716 8384 1 14 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.693 -0.231 18716 8385 1 14 . 1 1 74 74 GLU H H 74 8.665 8.665 7.753 0.912 18716 8386 1 14 . 1 1 75 75 LEU N N 75 121.415 121.415 121.137 0.278 18716 8387 1 14 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.045 0.138 18716 8388 1 14 . 1 1 75 75 LEU CA C 75 57.932 57.932 58.296 -0.364 18716 8389 1 14 . 1 1 75 75 LEU CB C 75 41.178 41.178 41.992 -0.814 18716 8390 1 14 . 1 1 75 75 LEU H H 75 7.765 7.765 7.788 -0.023 18716 8391 1 14 . 1 1 76 76 ARG N N 76 119.228 119.228 118.618 0.610 18716 8392 1 14 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.954 -0.021 18716 8393 1 14 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.161 -0.479 18716 8394 1 14 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.111 -0.914 18716 8395 1 14 . 1 1 76 76 ARG H H 76 7.868 7.868 8.149 -0.281 18716 8396 1 14 . 1 1 77 77 SER N N 77 114.228 114.228 115.872 -1.644 18716 8397 1 14 . 1 1 77 77 SER HA H 77 4.263 4.263 4.237 0.026 18716 8398 1 14 . 1 1 77 77 SER CA C 77 62.668 62.668 62.703 -0.035 18716 8399 1 14 . 1 1 77 77 SER CB C 77 62.849 62.849 62.929 -0.080 18716 8400 1 14 . 1 1 77 77 SER H H 77 8.576 8.576 8.053 0.523 18716 8401 1 14 . 1 1 78 78 LEU N N 78 125.790 125.790 123.419 2.371 18716 8402 1 14 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.264 0.157 18716 8403 1 14 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.195 0.767 18716 8404 1 14 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.278 0.640 18716 8405 1 14 . 1 1 78 78 LEU H H 78 8.458 8.458 8.069 0.389 18716 8406 1 14 . 1 1 79 79 TYR N N 79 119.852 119.852 119.323 0.529 18716 8407 1 14 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.003 -0.342 18716 8408 1 14 . 1 1 79 79 TYR CA C 79 62.802 62.802 62.107 0.695 18716 8409 1 14 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.154 1.040 18716 8410 1 14 . 1 1 79 79 TYR H H 79 8.694 8.694 8.476 0.218 18716 8411 1 14 . 1 1 80 80 ASN N N 80 117.040 117.040 117.922 -0.882 18716 8412 1 14 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.529 -0.245 18716 8413 1 14 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.600 -0.813 18716 8414 1 14 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.425 -0.586 18716 8415 1 14 . 1 1 80 80 ASN H H 80 8.871 8.871 8.107 0.764 18716 8416 1 14 . 1 1 81 81 THR N N 81 115.790 115.790 118.801 -3.011 18716 8417 1 14 . 1 1 81 81 THR HA H 81 3.945 3.945 4.178 -0.233 18716 8418 1 14 . 1 1 81 81 THR CA C 81 67.855 67.855 67.457 0.398 18716 8419 1 14 . 1 1 81 81 THR CB C 81 69.140 69.140 69.121 0.019 18716 8420 1 14 . 1 1 81 81 THR H H 81 8.119 8.119 8.359 -0.240 18716 8421 1 14 . 1 1 82 82 ILE N N 82 121.102 121.102 121.193 -0.091 18716 8422 1 14 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.724 -0.056 18716 8423 1 14 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.721 -1.201 18716 8424 1 14 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.475 -0.989 18716 8425 1 14 . 1 1 82 82 ILE H H 82 8.090 8.090 8.713 -0.623 18716 8426 1 14 . 1 1 83 83 ALA N N 83 125.165 125.165 121.096 4.069 18716 8427 1 14 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.928 -0.037 18716 8428 1 14 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.162 0.693 18716 8429 1 14 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.990 -0.149 18716 8430 1 14 . 1 1 83 83 ALA H H 83 8.782 8.782 7.671 1.111 18716 8431 1 14 . 1 1 84 84 VAL N N 84 117.665 117.665 118.619 -0.954 18716 8432 1 14 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.769 -0.441 18716 8433 1 14 . 1 1 84 84 VAL CA C 84 67.465 67.465 65.399 2.066 18716 8434 1 14 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.173 -0.478 18716 8435 1 14 . 1 1 84 84 VAL H H 84 7.795 7.795 7.544 0.251 18716 8436 1 14 . 1 1 85 85 LEU N N 85 122.040 122.040 121.978 0.062 18716 8437 1 14 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.975 -0.160 18716 8438 1 14 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.551 -0.241 18716 8439 1 14 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.935 0.213 18716 8440 1 14 . 1 1 85 85 LEU H H 85 8.163 8.163 8.153 0.010 18716 8441 1 14 . 1 1 86 86 TYR N N 86 118.915 118.915 119.292 -0.377 18716 8442 1 14 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.045 -0.133 18716 8443 1 14 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.483 1.335 18716 8444 1 14 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.284 0.003 18716 8445 1 14 . 1 1 86 86 TYR H H 86 9.062 9.062 8.588 0.474 18716 8446 1 14 . 1 1 87 87 CYS N N 87 116.102 116.102 115.825 0.277 18716 8447 1 14 . 1 1 87 87 CYS HA H 87 3.794 3.794 4.036 -0.242 18716 8448 1 14 . 1 1 87 87 CYS CA C 87 65.966 65.966 62.954 3.012 18716 8449 1 14 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.214 20.343 18716 8450 1 14 . 1 1 87 87 CYS H H 87 7.515 7.515 7.874 -0.359 18716 8451 1 14 . 1 1 88 88 VAL N N 88 119.978 119.978 119.025 0.953 18716 8452 1 14 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.829 0.049 18716 8453 1 14 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.765 0.656 18716 8454 1 14 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.301 0.286 18716 8455 1 14 . 1 1 88 88 VAL H H 88 8.429 8.429 7.571 0.858 18716 8456 1 14 . 1 1 89 89 HIS N N 89 118.915 118.915 113.325 5.590 18716 8457 1 14 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.563 0.312 18716 8458 1 14 . 1 1 89 89 HIS CA C 89 57.120 57.120 55.876 1.244 18716 8459 1 14 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.249 -0.166 18716 8460 1 14 . 1 1 89 89 HIS H H 89 8.797 8.797 7.182 1.615 18716 8461 1 14 . 1 1 90 90 GLN N N 90 116.728 116.728 118.361 -1.633 18716 8462 1 14 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.305 0.080 18716 8463 1 14 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.753 0.536 18716 8464 1 14 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.579 2.373 18716 8465 1 14 . 1 1 90 90 GLN H H 90 7.986 7.986 7.419 0.567 18716 8466 1 14 . 1 1 91 91 ARG N N 91 115.165 115.165 116.827 -1.662 18716 8467 1 14 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.875 0.138 18716 8468 1 14 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.447 -0.264 18716 8469 1 14 . 1 1 91 91 ARG CB C 91 26.049 26.049 28.239 -2.190 18716 8470 1 14 . 1 1 91 91 ARG H H 91 7.883 7.883 7.695 0.188 18716 8471 1 14 . 1 1 92 92 ILE N N 92 120.087 120.087 120.108 -0.021 18716 8472 1 14 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.173 -0.188 18716 8473 1 14 . 1 1 92 92 ILE CA C 92 60.656 60.656 61.140 -0.484 18716 8474 1 14 . 1 1 92 92 ILE CB C 92 38.930 38.930 39.002 -0.072 18716 8475 1 14 . 1 1 92 92 ILE H H 92 8.335 8.335 8.013 0.322 18716 8476 1 14 . 1 1 93 93 ASP N N 93 129.228 129.228 126.424 2.804 18716 8477 1 14 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.789 -0.304 18716 8478 1 14 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.656 2.387 18716 8479 1 14 . 1 1 93 93 ASP CB C 93 40.396 40.396 39.983 0.414 18716 8480 1 14 . 1 1 93 93 ASP H H 93 8.620 8.620 8.692 -0.072 18716 8481 1 14 . 1 1 94 94 VAL N N 94 115.790 115.790 114.953 0.837 18716 8482 1 14 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.175 0.458 18716 8483 1 14 . 1 1 94 94 VAL CA C 94 59.120 59.120 60.933 -1.813 18716 8484 1 14 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.914 2.598 18716 8485 1 14 . 1 1 94 94 VAL H H 94 7.751 7.751 7.703 0.048 18716 8486 1 14 . 1 1 95 95 LYS N N 95 118.915 118.915 118.665 0.250 18716 8487 1 14 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.360 0.033 18716 8488 1 14 . 1 1 95 95 LYS CA C 95 56.671 56.671 58.179 -1.508 18716 8489 1 14 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.389 0.619 18716 8490 1 14 . 1 1 95 95 LYS H H 95 9.239 9.239 8.785 0.454 18716 8491 1 14 . 1 1 96 96 ASP N N 96 112.040 112.040 113.288 -1.248 18716 8492 1 14 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.270 0.292 18716 8493 1 14 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.491 0.338 18716 8494 1 14 . 1 1 96 96 ASP CB C 96 44.604 44.604 42.773 1.831 18716 8495 1 14 . 1 1 96 96 ASP H H 96 7.412 7.412 7.738 -0.326 18716 8496 1 14 . 1 1 97 97 THR N N 97 109.540 109.540 113.983 -4.443 18716 8497 1 14 . 1 1 97 97 THR HA H 97 3.661 3.661 4.059 -0.398 18716 8498 1 14 . 1 1 97 97 THR CA C 97 65.947 65.947 66.280 -0.333 18716 8499 1 14 . 1 1 97 97 THR CB C 97 70.285 70.285 68.977 1.308 18716 8500 1 14 . 1 1 97 97 THR H H 97 7.250 7.250 8.251 -1.001 18716 8501 1 14 . 1 1 98 98 LYS N N 98 121.102 121.102 123.107 -2.005 18716 8502 1 14 . 1 1 98 98 LYS HA H 98 3.945 3.945 4.022 -0.077 18716 8503 1 14 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.734 -0.106 18716 8504 1 14 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.058 -0.131 18716 8505 1 14 . 1 1 98 98 LYS H H 98 7.868 7.868 7.944 -0.076 18716 8506 1 14 . 1 1 99 99 GLU N N 99 119.228 119.228 118.808 0.420 18716 8507 1 14 . 1 1 99 99 GLU HA H 99 4.077 4.077 3.935 0.142 18716 8508 1 14 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.682 0.113 18716 8509 1 14 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.303 0.943 18716 8510 1 14 . 1 1 99 99 GLU H H 99 8.384 8.384 8.920 -0.536 18716 8511 1 14 . 1 1 100 100 ALA N N 100 118.915 118.915 121.898 -2.983 18716 8512 1 14 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.086 0.300 18716 8513 1 14 . 1 1 100 100 ALA CA C 100 55.396 55.396 55.051 0.345 18716 8514 1 14 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.451 1.308 18716 8515 1 14 . 1 1 100 100 ALA H H 100 7.382 7.382 7.534 -0.152 18716 8516 1 14 . 1 1 101 101 LEU N N 101 117.978 117.978 119.158 -1.180 18716 8517 1 14 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.015 0.005 18716 8518 1 14 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.639 0.336 18716 8519 1 14 . 1 1 101 101 LEU CB C 101 41.493 41.493 40.805 0.688 18716 8520 1 14 . 1 1 101 101 LEU H H 101 8.119 8.119 7.686 0.433 18716 8521 1 14 . 1 1 102 102 ASP N N 102 120.478 120.478 119.454 1.024 18716 8522 1 14 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.329 0.038 18716 8523 1 14 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.424 -0.072 18716 8524 1 14 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.582 -0.860 18716 8525 1 14 . 1 1 102 102 ASP H H 102 8.679 8.679 7.876 0.803 18716 8526 1 14 . 1 1 103 103 LYS N N 103 120.165 120.165 119.540 0.625 18716 8527 1 14 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.157 0.007 18716 8528 1 14 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.292 -0.928 18716 8529 1 14 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.529 -0.997 18716 8530 1 14 . 1 1 103 103 LYS H H 103 8.207 8.207 7.615 0.592 18716 8531 1 14 . 1 1 104 104 ILE N N 104 119.852 119.852 119.209 0.643 18716 8532 1 14 . 1 1 104 104 ILE HA H 104 3.810 3.810 4.002 -0.192 18716 8533 1 14 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.578 0.030 18716 8534 1 14 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.049 -0.615 18716 8535 1 14 . 1 1 104 104 ILE H H 104 8.163 8.163 7.742 0.421 18716 8536 1 14 . 1 1 105 105 GLU N N 105 121.415 121.415 120.685 0.730 18716 8537 1 14 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.986 0.049 18716 8538 1 14 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.643 -0.009 18716 8539 1 14 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.605 3.151 18716 8540 1 14 . 1 1 105 105 GLU H H 105 8.001 8.001 8.460 -0.459 18716 8541 1 14 . 1 1 106 106 GLU N N 106 119.228 119.228 119.825 -0.597 18716 8542 1 14 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.017 0.073 18716 8543 1 14 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.703 -0.436 18716 8544 1 14 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.652 -0.055 18716 8545 1 14 . 1 1 106 106 GLU H H 106 8.031 8.031 7.868 0.163 18716 8546 1 14 . 1 1 107 107 GLU N N 107 118.915 118.915 118.495 0.420 18716 8547 1 14 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.060 0.013 18716 8548 1 14 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.164 0.177 18716 8549 1 14 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.610 0.260 18716 8550 1 14 . 1 1 107 107 GLU H H 107 8.016 8.016 7.763 0.253 18716 8551 1 14 . 1 1 108 108 GLN N N 108 118.290 118.290 118.335 -0.045 18716 8552 1 14 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.192 -0.045 18716 8553 1 14 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.243 0.164 18716 8554 1 14 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.519 0.326 18716 8555 1 14 . 1 1 108 108 GLN H H 108 8.252 8.252 7.424 0.828 18716 8556 1 14 . 1 1 109 109 ASN N N 109 118.290 118.290 119.253 -0.963 18716 8557 1 14 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.426 0.191 18716 8558 1 14 . 1 1 109 109 ASN CA C 109 54.882 54.882 55.993 -1.111 18716 8559 1 14 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.529 -0.004 18716 8560 1 14 . 1 1 109 109 ASN H H 109 8.252 8.252 8.021 0.231 18716 8561 1 14 . 1 1 110 110 LYS N N 110 120.478 120.478 119.400 1.078 18716 8562 1 14 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.034 0.196 18716 8563 1 14 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.577 -1.266 18716 8564 1 14 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.418 0.273 18716 8565 1 14 . 1 1 110 110 LYS H H 110 8.031 8.031 7.771 0.260 18716 8566 1 14 . 1 1 111 111 SER N N 111 114.540 114.540 114.383 0.157 18716 8567 1 14 . 1 1 111 111 SER HA H 111 4.368 4.368 4.299 0.069 18716 8568 1 14 . 1 1 111 111 SER CA C 111 59.764 59.764 61.182 -1.418 18716 8569 1 14 . 1 1 111 111 SER CB C 111 63.442 63.442 62.996 0.446 18716 8570 1 14 . 1 1 111 111 SER H H 111 8.031 8.031 7.632 0.399 18716 8571 1 14 . 1 1 112 112 LYS N N 112 122.040 122.040 121.969 0.071 18716 8572 1 14 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.093 0.152 18716 8573 1 14 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.846 -1.516 18716 8574 1 14 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.378 0.397 18716 8575 1 14 . 1 1 112 112 LYS H H 112 7.957 7.957 8.070 -0.113 18716 8576 1 14 . 1 1 113 113 LYS N N 113 120.790 120.790 118.840 1.950 18716 8577 1 14 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.127 0.023 18716 8578 1 14 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.740 0.394 18716 8579 1 14 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.598 0.168 18716 8580 1 14 . 1 1 113 113 LYS H H 113 8.016 8.016 7.644 0.372 18716 8581 1 14 . 1 1 114 114 LYS N N 114 121.728 121.728 118.912 2.816 18716 8582 1 14 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.347 -0.084 18716 8583 1 14 . 1 1 114 114 LYS CA C 114 57.185 57.185 56.210 0.975 18716 8584 1 14 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.422 0.435 18716 8585 1 14 . 1 1 114 114 LYS H H 114 8.119 8.119 7.496 0.623 18716 8586 1 14 . 1 1 115 115 ALA N N 115 124.228 124.228 122.024 2.204 18716 8587 1 14 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.625 -0.357 18716 8588 1 14 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.275 0.760 18716 8589 1 14 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.153 -0.115 18716 8590 1 14 . 1 1 115 115 ALA H H 115 8.178 8.178 7.623 0.555 18716 8591 1 14 . 1 1 116 116 GLN N N 116 119.228 119.228 120.358 -1.130 18716 8592 1 14 . 1 1 116 116 GLN HA H 116 4.248 4.248 3.957 0.291 18716 8593 1 14 . 1 1 116 116 GLN CA C 116 56.549 56.549 59.166 -2.617 18716 8594 1 14 . 1 1 116 116 GLN H H 116 8.237 8.237 8.275 -0.038 18716 8595 1 14 . 1 1 117 117 GLN N N 117 120.478 120.478 117.707 2.771 18716 8596 1 14 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.111 0.158 18716 8597 1 14 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.403 -2.079 18716 8598 1 14 . 1 1 117 117 GLN CB C 117 29.606 29.606 27.909 1.697 18716 8599 1 14 . 1 1 117 117 GLN H H 117 8.266 8.266 8.528 -0.262 18716 8600 1 14 . 1 1 118 118 ALA N N 118 124.852 124.852 121.243 3.609 18716 8601 1 14 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.069 0.207 18716 8602 1 14 . 1 1 118 118 ALA CA C 118 52.837 52.837 54.706 -1.869 18716 8603 1 14 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.485 0.577 18716 8604 1 14 . 1 1 118 118 ALA H H 118 8.266 8.266 7.551 0.715 18716 8605 1 14 . 1 1 119 119 ALA N N 119 122.978 122.978 120.968 2.010 18716 8606 1 14 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.126 0.168 18716 8607 1 14 . 1 1 119 119 ALA CA C 119 52.637 52.637 54.351 -1.714 18716 8608 1 14 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.658 0.543 18716 8609 1 14 . 1 1 119 119 ALA H H 119 8.163 8.163 7.472 0.691 18716 8610 1 14 . 1 1 120 120 ALA N N 120 122.665 122.665 117.395 5.270 18716 8611 1 14 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.411 -0.134 18716 8612 1 14 . 1 1 120 120 ALA CA C 120 52.736 52.736 51.644 1.092 18716 8613 1 14 . 1 1 120 120 ALA CB C 120 19.167 19.167 18.870 0.296 18716 8614 1 14 . 1 1 120 120 ALA H H 120 8.163 8.163 7.293 0.870 18716 8615 1 14 . 1 1 121 121 ASP N N 121 119.228 119.228 118.998 0.230 18716 8616 1 14 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.803 -0.121 18716 8617 1 14 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.558 -0.294 18716 8618 1 14 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.336 -0.207 18716 8619 1 14 . 1 1 121 121 ASP H H 121 8.252 8.252 8.049 0.203 18716 8620 1 14 . 1 1 122 122 THR N N 122 113.602 113.602 111.926 1.676 18716 8621 1 14 . 1 1 122 122 THR HA H 122 4.358 4.358 4.620 -0.262 18716 8622 1 14 . 1 1 122 122 THR CA C 122 61.971 61.971 61.173 0.798 18716 8623 1 14 . 1 1 122 122 THR CB C 122 69.586 69.586 71.359 -1.772 18716 8624 1 14 . 1 1 122 122 THR H H 122 8.075 8.075 7.656 0.419 18716 8625 1 14 . 1 1 123 123 GLY N N 123 110.478 110.478 110.027 0.451 18716 8626 1 14 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.568 1.035 18716 8627 1 14 . 1 1 123 123 GLY H H 123 8.414 8.414 8.297 0.117 18716 8628 1 14 . 1 1 124 124 ASN N N 124 118.602 118.602 120.391 -1.789 18716 8629 1 14 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.998 -0.390 18716 8630 1 14 . 1 1 124 124 ASN CA C 124 54.733 54.733 51.913 2.820 18716 8631 1 14 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.244 -1.706 18716 8632 1 14 . 1 1 124 124 ASN H H 124 8.266 8.266 8.412 -0.146 18716 8633 1 14 . 1 1 125 125 ASN N N 125 119.228 119.228 117.914 1.314 18716 8634 1 14 . 1 1 125 125 ASN HA H 125 4.724 4.724 5.047 -0.323 18716 8635 1 14 . 1 1 125 125 ASN CA C 125 53.453 53.453 52.683 0.770 18716 8636 1 14 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.718 -0.905 18716 8637 1 14 . 1 1 125 125 ASN H H 125 8.443 8.443 8.696 -0.253 18716 8638 1 14 . 1 1 126 126 SER N N 126 115.790 115.790 115.836 -0.046 18716 8639 1 14 . 1 1 126 126 SER HA H 126 4.388 4.388 4.883 -0.495 18716 8640 1 14 . 1 1 126 126 SER CA C 126 58.851 58.851 57.721 1.130 18716 8641 1 14 . 1 1 126 126 SER CB C 126 63.926 63.926 64.843 -0.917 18716 8642 1 14 . 1 1 126 126 SER H H 126 8.266 8.266 8.361 -0.095 18716 8643 1 14 . 1 1 127 127 GLN N N 127 121.728 121.728 120.246 1.482 18716 8644 1 14 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.907 -0.584 18716 8645 1 14 . 1 1 127 127 GLN CA C 127 56.223 56.223 54.988 1.235 18716 8646 1 14 . 1 1 127 127 GLN CB C 127 29.168 29.168 31.745 -2.577 18716 8647 1 14 . 1 1 127 127 GLN H H 127 8.355 8.355 8.958 -0.603 18716 8648 1 14 . 1 1 128 128 VAL N N 128 119.852 119.852 117.510 2.342 18716 8649 1 14 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.607 -0.498 18716 8650 1 14 . 1 1 128 128 VAL CA C 128 62.665 62.665 60.970 1.695 18716 8651 1 14 . 1 1 128 128 VAL CB C 128 32.769 32.769 33.443 -0.674 18716 8652 1 14 . 1 1 128 128 VAL H H 128 7.986 7.986 8.307 -0.321 18716 8653 1 14 . 1 1 129 129 SER N N 129 117.978 117.978 116.466 1.512 18716 8654 1 14 . 1 1 129 129 SER HA H 129 4.136 4.136 4.369 -0.233 18716 8655 1 14 . 1 1 129 129 SER CA C 129 58.404 58.404 58.292 0.112 18716 8656 1 14 . 1 1 129 129 SER CB C 129 63.755 63.755 63.797 -0.042 18716 8657 1 14 . 1 1 129 129 SER H H 129 8.252 8.252 8.210 0.042 18716 8658 1 14 . 1 1 130 130 GLN N N 130 121.728 121.728 122.312 -0.584 18716 8659 1 14 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.311 0.044 18716 8660 1 14 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.599 0.551 18716 8661 1 14 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.247 0.126 18716 8662 1 14 . 1 1 130 130 GLN H H 130 8.355 8.355 8.515 -0.160 18716 8663 1 14 . 1 1 131 131 ASN N N 131 118.290 118.290 122.629 -4.339 18716 8664 1 14 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.678 -0.046 18716 8665 1 14 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.843 -0.275 18716 8666 1 14 . 1 1 131 131 ASN H H 131 8.252 8.252 8.776 -0.524 18716 8667 1 15 . 1 1 3 3 ALA N N 3 123.842 123.842 126.323 -2.481 18716 8668 1 15 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.783 -0.455 18716 8669 1 15 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.799 0.738 18716 8670 1 15 . 1 1 3 3 ALA CB C 3 17.251 17.251 18.289 -1.038 18716 8671 1 15 . 1 1 3 3 ALA H H 3 8.183 8.183 8.160 0.023 18716 8672 1 15 . 1 1 4 4 ARG N N 4 120.165 120.165 122.022 -1.857 18716 8673 1 15 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.447 -0.191 18716 8674 1 15 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.605 0.360 18716 8675 1 15 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.363 0.598 18716 8676 1 15 . 1 1 4 4 ARG H H 4 8.429 8.429 8.598 -0.169 18716 8677 1 15 . 1 1 5 5 ALA N N 5 125.165 125.165 125.068 0.097 18716 8678 1 15 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.406 -0.124 18716 8679 1 15 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.456 0.915 18716 8680 1 15 . 1 1 5 5 ALA CB C 5 19.672 19.672 17.601 2.071 18716 8681 1 15 . 1 1 5 5 ALA H H 5 8.370 8.370 8.200 0.170 18716 8682 1 15 . 1 1 6 6 SER N N 6 114.540 114.540 117.544 -3.004 18716 8683 1 15 . 1 1 6 6 SER HA H 6 4.479 4.479 4.600 -0.121 18716 8684 1 15 . 1 1 6 6 SER CA C 6 57.804 57.804 57.028 0.776 18716 8685 1 15 . 1 1 6 6 SER CB C 6 64.034 64.034 62.504 1.530 18716 8686 1 15 . 1 1 6 6 SER H H 6 8.134 8.134 8.025 0.109 18716 8687 1 15 . 1 1 7 7 VAL N N 7 121.415 121.415 125.559 -4.144 18716 8688 1 15 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.890 -0.273 18716 8689 1 15 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.137 1.574 18716 8690 1 15 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.093 -0.157 18716 8691 1 15 . 1 1 7 7 VAL H H 7 8.119 8.119 8.228 -0.109 18716 8692 1 15 . 1 1 8 8 LEU N N 8 115.478 115.478 117.784 -2.306 18716 8693 1 15 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.734 0.180 18716 8694 1 15 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.062 -0.587 18716 8695 1 15 . 1 1 8 8 LEU CB C 8 44.314 44.314 43.434 0.881 18716 8696 1 15 . 1 1 8 8 LEU H H 8 7.382 7.382 7.565 -0.183 18716 8697 1 15 . 1 1 9 9 SER N N 9 118.290 118.290 119.692 -1.402 18716 8698 1 15 . 1 1 9 9 SER HA H 9 4.606 4.606 4.446 0.160 18716 8699 1 15 . 1 1 9 9 SER CA C 9 57.197 57.197 57.951 -0.754 18716 8700 1 15 . 1 1 9 9 SER CB C 9 65.426 65.426 65.183 0.243 18716 8701 1 15 . 1 1 9 9 SER H H 9 9.166 9.166 8.818 0.348 18716 8702 1 15 . 1 1 10 10 GLY N N 10 109.228 109.228 108.517 0.711 18716 8703 1 15 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.993 0.681 18716 8704 1 15 . 1 1 10 10 GLY H H 10 8.959 8.959 8.701 0.258 18716 8705 1 15 . 1 1 11 11 GLY N N 11 111.102 111.102 109.740 1.362 18716 8706 1 15 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.401 0.260 18716 8707 1 15 . 1 1 11 11 GLY H H 11 8.782 8.782 7.787 0.995 18716 8708 1 15 . 1 1 12 12 GLU N N 12 120.165 120.165 122.064 -1.899 18716 8709 1 15 . 1 1 12 12 GLU HA H 12 3.950 3.950 3.994 -0.044 18716 8710 1 15 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.757 0.339 18716 8711 1 15 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.455 1.835 18716 8712 1 15 . 1 1 12 12 GLU H H 12 7.751 7.751 7.603 0.148 18716 8713 1 15 . 1 1 13 13 LEU N N 13 121.415 121.415 121.785 -0.370 18716 8714 1 15 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.063 0.045 18716 8715 1 15 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.308 -0.246 18716 8716 1 15 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.769 -0.833 18716 8717 1 15 . 1 1 13 13 LEU H H 13 8.340 8.340 8.345 -0.005 18716 8718 1 15 . 1 1 14 14 ASP N N 14 116.415 116.415 118.922 -2.507 18716 8719 1 15 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.281 0.112 18716 8720 1 15 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.857 -0.721 18716 8721 1 15 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.941 0.145 18716 8722 1 15 . 1 1 14 14 ASP H H 14 7.574 7.574 7.741 -0.167 18716 8723 1 15 . 1 1 15 15 LYS N N 15 115.478 115.478 119.089 -3.611 18716 8724 1 15 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.053 -0.007 18716 8725 1 15 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.516 -1.114 18716 8726 1 15 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.283 0.076 18716 8727 1 15 . 1 1 15 15 LYS H H 15 7.117 7.117 7.685 -0.568 18716 8728 1 15 . 1 1 16 16 TRP N N 16 121.693 121.693 121.866 -0.173 18716 8729 1 15 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.158 -0.133 18716 8730 1 15 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.580 -0.294 18716 8731 1 15 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.511 1.602 18716 8732 1 15 . 1 1 16 16 TRP H H 16 8.646 8.646 8.218 0.428 18716 8733 1 15 . 1 1 17 17 GLU N N 17 127.710 127.710 116.727 10.983 18716 8734 1 15 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.345 0.346 18716 8735 1 15 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.863 -2.094 18716 8736 1 15 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.470 0.276 18716 8737 1 15 . 1 1 17 17 GLU H H 17 7.571 7.571 8.229 -0.658 18716 8738 1 15 . 1 1 18 18 LYS N N 18 115.790 115.790 118.473 -2.683 18716 8739 1 15 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.299 0.198 18716 8740 1 15 . 1 1 18 18 LYS CA C 18 55.569 55.569 58.263 -2.694 18716 8741 1 15 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.461 0.478 18716 8742 1 15 . 1 1 18 18 LYS H H 18 7.456 7.456 7.315 0.141 18716 8743 1 15 . 1 1 19 19 ILE N N 19 124.228 124.228 119.073 5.155 18716 8744 1 15 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.912 -0.355 18716 8745 1 15 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.511 -0.391 18716 8746 1 15 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.768 0.414 18716 8747 1 15 . 1 1 19 19 ILE H H 19 7.633 7.633 8.001 -0.368 18716 8748 1 15 . 1 1 20 20 ARG N N 20 125.790 125.790 123.768 2.022 18716 8749 1 15 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.440 -0.012 18716 8750 1 15 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.757 1.738 18716 8751 1 15 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.934 -0.397 18716 8752 1 15 . 1 1 20 20 ARG H H 20 8.031 8.031 8.297 -0.266 18716 8753 1 15 . 1 1 21 21 LEU N N 21 120.165 120.165 119.518 0.647 18716 8754 1 15 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.795 -0.364 18716 8755 1 15 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.557 1.678 18716 8756 1 15 . 1 1 21 21 LEU CB C 21 41.554 41.554 42.147 -0.592 18716 8757 1 15 . 1 1 21 21 LEU H H 21 7.810 7.810 7.752 0.058 18716 8758 1 15 . 1 1 22 22 ARG N N 22 119.540 119.540 113.458 6.082 18716 8759 1 15 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.644 0.201 18716 8760 1 15 . 1 1 22 22 ARG CA C 22 52.844 52.844 52.975 -0.131 18716 8761 1 15 . 1 1 22 22 ARG CB C 22 31.617 31.617 30.423 1.194 18716 8762 1 15 . 1 1 22 22 ARG H H 22 8.974 8.974 7.355 1.619 18716 8763 1 15 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.332 0.028 18716 8764 1 15 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.521 -1.085 18716 8765 1 15 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.004 -0.439 18716 8766 1 15 . 1 1 24 24 GLY N N 24 112.665 112.665 108.779 3.886 18716 8767 1 15 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.427 1.378 18716 8768 1 15 . 1 1 24 24 GLY H H 24 9.138 9.138 8.084 1.054 18716 8769 1 15 . 1 1 25 25 GLY N N 25 107.978 107.978 107.378 0.600 18716 8770 1 15 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.752 -0.180 18716 8771 1 15 . 1 1 25 25 GLY H H 25 8.134 8.134 7.366 0.768 18716 8772 1 15 . 1 1 26 26 LYS N N 26 117.665 117.665 119.688 -2.023 18716 8773 1 15 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.481 -0.217 18716 8774 1 15 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.225 0.628 18716 8775 1 15 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.939 1.117 18716 8776 1 15 . 1 1 26 26 LYS H H 26 8.665 8.665 8.337 0.328 18716 8777 1 15 . 1 1 27 27 LYS N N 27 117.925 117.925 119.872 -1.947 18716 8778 1 15 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.554 -0.243 18716 8779 1 15 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.692 1.519 18716 8780 1 15 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.586 -0.708 18716 8781 1 15 . 1 1 27 27 LYS H H 27 7.817 7.817 7.951 -0.134 18716 8782 1 15 . 1 1 28 28 GLN N N 28 122.978 122.978 121.186 1.792 18716 8783 1 15 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.305 0.511 18716 8784 1 15 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.189 -0.716 18716 8785 1 15 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.208 3.846 18716 8786 1 15 . 1 1 28 28 GLN H H 28 8.458 8.458 8.408 0.050 18716 8787 1 15 . 1 1 29 29 TYR N N 29 119.540 119.540 118.946 0.594 18716 8788 1 15 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.449 -0.717 18716 8789 1 15 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.959 1.051 18716 8790 1 15 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.216 -2.000 18716 8791 1 15 . 1 1 29 29 TYR H H 29 7.824 7.824 8.322 -0.498 18716 8792 1 15 . 1 1 30 30 LYS N N 30 117.978 117.978 120.841 -2.863 18716 8793 1 15 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.877 0.339 18716 8794 1 15 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.165 -1.100 18716 8795 1 15 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.126 2.462 18716 8796 1 15 . 1 1 30 30 LYS H H 30 10.610 10.610 9.054 1.556 18716 8797 1 15 . 1 1 31 31 LEU N N 31 128.602 128.602 125.400 3.202 18716 8798 1 15 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.084 0.097 18716 8799 1 15 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.219 1.015 18716 8800 1 15 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.617 -0.615 18716 8801 1 15 . 1 1 31 31 LEU H H 31 9.991 9.991 8.897 1.094 18716 8802 1 15 . 1 1 32 32 LYS N N 32 115.165 115.165 117.728 -2.563 18716 8803 1 15 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.948 0.197 18716 8804 1 15 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.484 -0.387 18716 8805 1 15 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.724 -0.165 18716 8806 1 15 . 1 1 32 32 LYS H H 32 8.399 8.399 8.602 -0.203 18716 8807 1 15 . 1 1 33 33 HIS N N 33 119.540 119.540 117.067 2.473 18716 8808 1 15 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.707 -0.103 18716 8809 1 15 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.538 3.353 18716 8810 1 15 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.438 2.346 18716 8811 1 15 . 1 1 33 33 HIS H H 33 8.193 8.193 7.952 0.241 18716 8812 1 15 . 1 1 34 34 ILE N N 34 119.540 119.540 120.989 -1.449 18716 8813 1 15 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.911 -0.117 18716 8814 1 15 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.777 -0.929 18716 8815 1 15 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.714 -0.735 18716 8816 1 15 . 1 1 34 34 ILE H H 34 7.898 7.898 7.524 0.374 18716 8817 1 15 . 1 1 35 35 VAL N N 35 122.040 122.040 118.847 3.193 18716 8818 1 15 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.793 -0.181 18716 8819 1 15 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.777 -0.031 18716 8820 1 15 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.430 0.712 18716 8821 1 15 . 1 1 35 35 VAL H H 35 7.706 7.706 8.509 -0.803 18716 8822 1 15 . 1 1 36 36 TRP N N 36 119.986 119.986 122.518 -2.532 18716 8823 1 15 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.228 0.005 18716 8824 1 15 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.148 -0.038 18716 8825 1 15 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.290 -0.878 18716 8826 1 15 . 1 1 36 36 TRP H H 36 8.452 8.452 7.914 0.538 18716 8827 1 15 . 1 1 37 37 ALA N N 37 120.478 120.478 119.074 1.404 18716 8828 1 15 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.599 -0.207 18716 8829 1 15 . 1 1 37 37 ALA CA C 37 55.137 55.137 54.951 0.186 18716 8830 1 15 . 1 1 37 37 ALA CB C 37 17.430 17.430 17.939 -0.509 18716 8831 1 15 . 1 1 37 37 ALA H H 37 8.311 8.311 8.276 0.035 18716 8832 1 15 . 1 1 38 38 SER N N 38 111.415 111.415 113.566 -2.151 18716 8833 1 15 . 1 1 38 38 SER HA H 38 3.906 3.906 4.041 -0.135 18716 8834 1 15 . 1 1 38 38 SER CA C 38 62.801 62.801 62.001 0.800 18716 8835 1 15 . 1 1 38 38 SER CB C 38 62.829 62.829 63.083 -0.254 18716 8836 1 15 . 1 1 38 38 SER H H 38 8.259 8.259 7.667 0.592 18716 8837 1 15 . 1 1 39 39 ARG N N 39 119.852 119.852 120.664 -0.812 18716 8838 1 15 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.985 0.161 18716 8839 1 15 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.209 -0.799 18716 8840 1 15 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.243 -0.235 18716 8841 1 15 . 1 1 39 39 ARG H H 39 7.559 7.559 7.514 0.045 18716 8842 1 15 . 1 1 40 40 GLU N N 40 121.102 121.102 118.749 2.353 18716 8843 1 15 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.834 -0.047 18716 8844 1 15 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.099 0.182 18716 8845 1 15 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.700 0.974 18716 8846 1 15 . 1 1 40 40 GLU H H 40 8.222 8.222 7.492 0.730 18716 8847 1 15 . 1 1 41 41 LEU N N 41 117.040 117.040 120.097 -3.057 18716 8848 1 15 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.122 -0.162 18716 8849 1 15 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.799 0.498 18716 8850 1 15 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.054 -1.874 18716 8851 1 15 . 1 1 41 41 LEU H H 41 8.016 8.016 7.781 0.235 18716 8852 1 15 . 1 1 42 42 GLU N N 42 117.352 117.352 119.217 -1.865 18716 8853 1 15 . 1 1 42 42 GLU HA H 42 4.127 4.127 3.998 0.129 18716 8854 1 15 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.099 0.472 18716 8855 1 15 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.240 0.425 18716 8856 1 15 . 1 1 42 42 GLU H H 42 7.559 7.559 7.806 -0.247 18716 8857 1 15 . 1 1 43 43 ARG N N 43 119.540 119.540 118.784 0.756 18716 8858 1 15 . 1 1 43 43 ARG HA H 43 4.027 4.027 3.988 0.039 18716 8859 1 15 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.164 0.437 18716 8860 1 15 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.073 -0.408 18716 8861 1 15 . 1 1 43 43 ARG H H 43 7.647 7.647 7.228 0.419 18716 8862 1 15 . 1 1 44 44 PHE N N 44 117.665 117.665 118.115 -0.450 18716 8863 1 15 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.628 -0.012 18716 8864 1 15 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.857 0.568 18716 8865 1 15 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.050 1.104 18716 8866 1 15 . 1 1 44 44 PHE H H 44 7.529 7.529 7.615 -0.086 18716 8867 1 15 . 1 1 45 45 ALA N N 45 118.915 118.915 119.353 -0.438 18716 8868 1 15 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.935 0.080 18716 8869 1 15 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.268 0.146 18716 8870 1 15 . 1 1 45 45 ALA CB C 45 16.281 16.281 16.853 -0.572 18716 8871 1 15 . 1 1 45 45 ALA H H 45 7.928 7.928 7.670 0.258 18716 8872 1 15 . 1 1 46 46 VAL N N 46 119.540 119.540 118.559 0.981 18716 8873 1 15 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.150 -0.055 18716 8874 1 15 . 1 1 46 46 VAL CA C 46 60.789 60.789 61.032 -0.243 18716 8875 1 15 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.277 0.143 18716 8876 1 15 . 1 1 46 46 VAL H H 46 7.765 7.765 7.608 0.157 18716 8877 1 15 . 1 1 47 47 ASN N N 47 125.790 125.790 126.988 -1.198 18716 8878 1 15 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.700 -0.054 18716 8879 1 15 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.240 -1.243 18716 8880 1 15 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.973 0.113 18716 8881 1 15 . 1 1 47 47 ASN H H 47 8.399 8.399 8.838 -0.439 18716 8882 1 15 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.422 -0.200 18716 8883 1 15 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.639 -0.325 18716 8884 1 15 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.925 -0.185 18716 8885 1 15 . 1 1 49 49 GLY N N 49 108.290 108.290 107.526 0.764 18716 8886 1 15 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.328 0.202 18716 8887 1 15 . 1 1 49 49 GLY H H 49 8.620 8.620 8.676 -0.056 18716 8888 1 15 . 1 1 50 50 LEU N N 50 121.728 121.728 121.673 0.055 18716 8889 1 15 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.151 -0.014 18716 8890 1 15 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.145 1.154 18716 8891 1 15 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.759 -0.196 18716 8892 1 15 . 1 1 50 50 LEU H H 50 7.765 7.765 7.515 0.250 18716 8893 1 15 . 1 1 51 51 LEU N N 51 112.040 112.040 118.281 -6.241 18716 8894 1 15 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.173 0.053 18716 8895 1 15 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.978 -0.471 18716 8896 1 15 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.916 0.574 18716 8897 1 15 . 1 1 51 51 LEU H H 51 7.412 7.412 7.816 -0.404 18716 8898 1 15 . 1 1 52 52 GLU N N 52 114.540 114.540 113.788 0.752 18716 8899 1 15 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.342 -0.287 18716 8900 1 15 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.181 3.203 18716 8901 1 15 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.365 1.693 18716 8902 1 15 . 1 1 52 52 GLU H H 52 7.500 7.500 7.511 -0.011 18716 8903 1 15 . 1 1 53 53 THR N N 53 122.978 122.978 110.932 12.046 18716 8904 1 15 . 1 1 53 53 THR HA H 53 4.402 4.402 4.528 -0.126 18716 8905 1 15 . 1 1 53 53 THR CA C 53 58.306 58.306 59.924 -1.618 18716 8906 1 15 . 1 1 53 53 THR CB C 53 73.222 73.222 71.794 1.428 18716 8907 1 15 . 1 1 53 53 THR H H 53 7.235 7.235 7.532 -0.297 18716 8908 1 15 . 1 1 54 54 SER N N 54 119.228 119.228 121.626 -2.398 18716 8909 1 15 . 1 1 54 54 SER HA H 54 4.043 4.043 4.258 -0.215 18716 8910 1 15 . 1 1 54 54 SER CA C 54 62.657 62.657 61.375 1.282 18716 8911 1 15 . 1 1 54 54 SER CB C 54 62.562 62.562 62.989 -0.427 18716 8912 1 15 . 1 1 54 54 SER H H 54 9.313 9.313 8.937 0.376 18716 8913 1 15 . 1 1 55 55 GLU N N 55 121.233 121.233 121.375 -0.142 18716 8914 1 15 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.367 -0.298 18716 8915 1 15 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.157 1.518 18716 8916 1 15 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.605 -0.606 18716 8917 1 15 . 1 1 55 55 GLU H H 55 8.975 8.975 8.630 0.345 18716 8918 1 15 . 1 1 56 56 GLY N N 56 110.790 110.790 108.741 2.049 18716 8919 1 15 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.400 0.466 18716 8920 1 15 . 1 1 56 56 GLY H H 56 8.517 8.517 8.224 0.293 18716 8921 1 15 . 1 1 57 57 CYS N N 57 118.602 118.602 120.552 -1.950 18716 8922 1 15 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.114 -0.090 18716 8923 1 15 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.759 0.843 18716 8924 1 15 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.321 20.474 18716 8925 1 15 . 1 1 57 57 CYS H H 57 8.134 8.134 8.114 0.020 18716 8926 1 15 . 1 1 58 58 ARG N N 58 119.540 119.540 118.698 0.842 18716 8927 1 15 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.519 0.031 18716 8928 1 15 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.255 0.452 18716 8929 1 15 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.806 -0.357 18716 8930 1 15 . 1 1 58 58 ARG H H 58 8.488 8.488 7.869 0.619 18716 8931 1 15 . 1 1 59 59 GLN N N 59 119.852 119.852 118.719 1.133 18716 8932 1 15 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.098 -0.046 18716 8933 1 15 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.675 0.725 18716 8934 1 15 . 1 1 59 59 GLN CB C 59 28.234 28.234 29.042 -0.808 18716 8935 1 15 . 1 1 59 59 GLN H H 59 8.016 8.016 7.510 0.506 18716 8936 1 15 . 1 1 60 60 ILE N N 60 120.790 120.790 120.551 0.239 18716 8937 1 15 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.666 -0.054 18716 8938 1 15 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.364 0.287 18716 8939 1 15 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.925 -0.075 18716 8940 1 15 . 1 1 60 60 ILE H H 60 8.163 8.163 8.537 -0.374 18716 8941 1 15 . 1 1 61 61 LEU N N 61 118.915 118.915 117.459 1.456 18716 8942 1 15 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.236 -0.341 18716 8943 1 15 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.020 1.634 18716 8944 1 15 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.440 -0.664 18716 8945 1 15 . 1 1 61 61 LEU H H 61 8.370 8.370 8.283 0.087 18716 8946 1 15 . 1 1 62 62 GLY N N 62 104.332 104.332 107.206 -2.874 18716 8947 1 15 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.840 0.344 18716 8948 1 15 . 1 1 62 62 GLY H H 62 7.883 7.883 7.874 0.009 18716 8949 1 15 . 1 1 63 63 GLN N N 63 119.852 119.852 118.476 1.376 18716 8950 1 15 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.387 -0.239 18716 8951 1 15 . 1 1 63 63 GLN CA C 63 57.873 57.873 56.699 1.174 18716 8952 1 15 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.242 -0.127 18716 8953 1 15 . 1 1 63 63 GLN H H 63 7.795 7.795 7.574 0.221 18716 8954 1 15 . 1 1 64 64 LEU N N 64 117.040 117.040 118.708 -1.668 18716 8955 1 15 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.269 -0.011 18716 8956 1 15 . 1 1 64 64 LEU CA C 64 56.183 56.183 55.636 0.547 18716 8957 1 15 . 1 1 64 64 LEU CB C 64 44.198 44.198 42.127 2.071 18716 8958 1 15 . 1 1 64 64 LEU H H 64 8.252 8.252 7.324 0.928 18716 8959 1 15 . 1 1 65 65 GLN N N 65 118.915 118.915 118.312 0.603 18716 8960 1 15 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.727 0.052 18716 8961 1 15 . 1 1 65 65 GLN CA C 65 61.547 61.547 59.588 1.959 18716 8962 1 15 . 1 1 65 65 GLN CB C 65 25.864 25.864 27.874 -2.010 18716 8963 1 15 . 1 1 65 65 GLN H H 65 8.104 8.104 8.016 0.088 18716 8964 1 15 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.301 0.082 18716 8965 1 15 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.588 1.329 18716 8966 1 15 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.230 -0.131 18716 8967 1 15 . 1 1 67 67 SER N N 67 111.415 111.415 112.818 -1.403 18716 8968 1 15 . 1 1 67 67 SER HA H 67 4.493 4.493 4.532 -0.039 18716 8969 1 15 . 1 1 67 67 SER CA C 67 59.696 59.696 56.893 2.803 18716 8970 1 15 . 1 1 67 67 SER CB C 67 64.031 64.031 62.475 1.556 18716 8971 1 15 . 1 1 67 67 SER H H 67 7.824 7.824 7.728 0.096 18716 8972 1 15 . 1 1 68 68 LEU N N 68 121.102 121.102 121.303 -0.201 18716 8973 1 15 . 1 1 68 68 LEU HA H 68 3.816 3.816 4.044 -0.228 18716 8974 1 15 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.161 0.787 18716 8975 1 15 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.814 -0.045 18716 8976 1 15 . 1 1 68 68 LEU H H 68 7.647 7.647 7.237 0.410 18716 8977 1 15 . 1 1 69 69 GLN N N 69 116.415 116.415 117.765 -1.350 18716 8978 1 15 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.191 -0.122 18716 8979 1 15 . 1 1 69 69 GLN CA C 69 58.470 58.470 57.972 0.498 18716 8980 1 15 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.170 -0.742 18716 8981 1 15 . 1 1 69 69 GLN H H 69 8.060 8.060 8.363 -0.303 18716 8982 1 15 . 1 1 70 70 THR N N 70 106.728 106.728 111.087 -4.359 18716 8983 1 15 . 1 1 70 70 THR HA H 70 4.481 4.481 4.412 0.069 18716 8984 1 15 . 1 1 70 70 THR CA C 70 61.291 61.291 61.683 -0.392 18716 8985 1 15 . 1 1 70 70 THR CB C 70 69.415 69.415 68.091 1.324 18716 8986 1 15 . 1 1 70 70 THR H H 70 7.515 7.515 8.111 -0.596 18716 8987 1 15 . 1 1 71 71 GLY N N 71 109.540 109.540 110.863 -1.323 18716 8988 1 15 . 1 1 71 71 GLY CA C 71 45.553 45.553 43.804 1.749 18716 8989 1 15 . 1 1 71 71 GLY H H 71 7.692 7.692 7.457 0.235 18716 8990 1 15 . 1 1 72 72 SER N N 72 114.540 114.540 114.012 0.528 18716 8991 1 15 . 1 1 72 72 SER HA H 72 4.625 4.625 4.675 -0.050 18716 8992 1 15 . 1 1 72 72 SER CA C 72 57.319 57.319 56.861 0.458 18716 8993 1 15 . 1 1 72 72 SER CB C 72 64.599 64.599 65.481 -0.882 18716 8994 1 15 . 1 1 72 72 SER H H 72 8.045 8.045 8.168 -0.123 18716 8995 1 15 . 1 1 73 73 GLU N N 73 124.228 124.228 121.023 3.205 18716 8996 1 15 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.027 0.060 18716 8997 1 15 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.497 -1.117 18716 8998 1 15 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.570 -0.268 18716 8999 1 15 . 1 1 73 73 GLU H H 73 9.092 9.092 8.937 0.155 18716 9000 1 15 . 1 1 74 74 GLU N N 74 120.165 120.165 119.213 0.952 18716 9001 1 15 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.401 -0.143 18716 9002 1 15 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.185 1.121 18716 9003 1 15 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.859 -0.397 18716 9004 1 15 . 1 1 74 74 GLU H H 74 8.665 8.665 7.731 0.934 18716 9005 1 15 . 1 1 75 75 LEU N N 75 121.415 121.415 120.829 0.586 18716 9006 1 15 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.007 0.176 18716 9007 1 15 . 1 1 75 75 LEU CA C 75 57.932 57.932 58.127 -0.195 18716 9008 1 15 . 1 1 75 75 LEU CB C 75 41.178 41.178 41.987 -0.809 18716 9009 1 15 . 1 1 75 75 LEU H H 75 7.765 7.765 7.592 0.173 18716 9010 1 15 . 1 1 76 76 ARG N N 76 119.228 119.228 119.241 -0.013 18716 9011 1 15 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.934 -0.001 18716 9012 1 15 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.266 -0.584 18716 9013 1 15 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.331 -1.134 18716 9014 1 15 . 1 1 76 76 ARG H H 76 7.868 7.868 8.182 -0.314 18716 9015 1 15 . 1 1 77 77 SER N N 77 114.228 114.228 116.028 -1.800 18716 9016 1 15 . 1 1 77 77 SER HA H 77 4.263 4.263 4.161 0.102 18716 9017 1 15 . 1 1 77 77 SER CA C 77 62.668 62.668 61.930 0.738 18716 9018 1 15 . 1 1 77 77 SER CB C 77 62.849 62.849 62.888 -0.039 18716 9019 1 15 . 1 1 77 77 SER H H 77 8.576 8.576 7.930 0.646 18716 9020 1 15 . 1 1 78 78 LEU N N 78 125.790 125.790 124.046 1.744 18716 9021 1 15 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.283 0.138 18716 9022 1 15 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.069 0.893 18716 9023 1 15 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.141 0.777 18716 9024 1 15 . 1 1 78 78 LEU H H 78 8.458 8.458 8.416 0.042 18716 9025 1 15 . 1 1 79 79 TYR N N 79 119.852 119.852 119.366 0.486 18716 9026 1 15 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.077 -0.416 18716 9027 1 15 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.672 1.131 18716 9028 1 15 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.314 0.880 18716 9029 1 15 . 1 1 79 79 TYR H H 79 8.694 8.694 8.498 0.196 18716 9030 1 15 . 1 1 80 80 ASN N N 80 117.040 117.040 117.733 -0.693 18716 9031 1 15 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.464 -0.180 18716 9032 1 15 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.486 -0.699 18716 9033 1 15 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.447 -0.607 18716 9034 1 15 . 1 1 80 80 ASN H H 80 8.871 8.871 7.891 0.980 18716 9035 1 15 . 1 1 81 81 THR N N 81 115.790 115.790 118.748 -2.958 18716 9036 1 15 . 1 1 81 81 THR HA H 81 3.945 3.945 4.239 -0.294 18716 9037 1 15 . 1 1 81 81 THR CA C 81 67.855 67.855 67.335 0.520 18716 9038 1 15 . 1 1 81 81 THR CB C 81 69.140 69.140 69.313 -0.173 18716 9039 1 15 . 1 1 81 81 THR H H 81 8.119 8.119 8.184 -0.065 18716 9040 1 15 . 1 1 82 82 ILE N N 82 121.102 121.102 121.123 -0.021 18716 9041 1 15 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.790 -0.122 18716 9042 1 15 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.196 -0.676 18716 9043 1 15 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.397 -0.911 18716 9044 1 15 . 1 1 82 82 ILE H H 82 8.090 8.090 8.694 -0.604 18716 9045 1 15 . 1 1 83 83 ALA N N 83 125.165 125.165 123.058 2.107 18716 9046 1 15 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.913 -0.022 18716 9047 1 15 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.162 0.693 18716 9048 1 15 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.874 -0.033 18716 9049 1 15 . 1 1 83 83 ALA H H 83 8.782 8.782 7.274 1.508 18716 9050 1 15 . 1 1 84 84 VAL N N 84 117.665 117.665 119.566 -1.901 18716 9051 1 15 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.508 -0.180 18716 9052 1 15 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.437 1.028 18716 9053 1 15 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.334 -0.638 18716 9054 1 15 . 1 1 84 84 VAL H H 84 7.795 7.795 7.498 0.297 18716 9055 1 15 . 1 1 85 85 LEU N N 85 122.040 122.040 119.876 2.164 18716 9056 1 15 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.930 -0.115 18716 9057 1 15 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.883 0.427 18716 9058 1 15 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.489 0.659 18716 9059 1 15 . 1 1 85 85 LEU H H 85 8.163 8.163 8.068 0.095 18716 9060 1 15 . 1 1 86 86 TYR N N 86 118.915 118.915 120.594 -1.679 18716 9061 1 15 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.059 -0.147 18716 9062 1 15 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.387 1.431 18716 9063 1 15 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.854 0.433 18716 9064 1 15 . 1 1 86 86 TYR H H 86 9.062 9.062 7.761 1.301 18716 9065 1 15 . 1 1 87 87 CYS N N 87 116.102 116.102 116.469 -0.367 18716 9066 1 15 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.694 0.100 18716 9067 1 15 . 1 1 87 87 CYS CA C 87 65.966 65.966 62.995 2.971 18716 9068 1 15 . 1 1 87 87 CYS CB C 87 46.557 46.557 25.979 20.578 18716 9069 1 15 . 1 1 87 87 CYS H H 87 7.515 7.515 8.084 -0.569 18716 9070 1 15 . 1 1 88 88 VAL N N 88 119.978 119.978 118.563 1.415 18716 9071 1 15 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.944 -0.066 18716 9072 1 15 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.828 0.593 18716 9073 1 15 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.222 0.365 18716 9074 1 15 . 1 1 88 88 VAL H H 88 8.429 8.429 7.499 0.930 18716 9075 1 15 . 1 1 89 89 HIS N N 89 118.915 118.915 115.668 3.247 18716 9076 1 15 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.618 0.257 18716 9077 1 15 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.309 0.811 18716 9078 1 15 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.340 -0.257 18716 9079 1 15 . 1 1 89 89 HIS H H 89 8.797 8.797 7.354 1.443 18716 9080 1 15 . 1 1 90 90 GLN N N 90 116.728 116.728 117.792 -1.064 18716 9081 1 15 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.278 0.107 18716 9082 1 15 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.656 0.633 18716 9083 1 15 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.877 2.075 18716 9084 1 15 . 1 1 90 90 GLN H H 90 7.986 7.986 7.285 0.701 18716 9085 1 15 . 1 1 91 91 ARG N N 91 115.165 115.165 116.068 -0.903 18716 9086 1 15 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.928 0.085 18716 9087 1 15 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.148 0.035 18716 9088 1 15 . 1 1 91 91 ARG CB C 91 26.049 26.049 27.087 -1.038 18716 9089 1 15 . 1 1 91 91 ARG H H 91 7.883 7.883 7.731 0.152 18716 9090 1 15 . 1 1 92 92 ILE N N 92 120.087 120.087 120.061 0.026 18716 9091 1 15 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.239 -0.254 18716 9092 1 15 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.159 0.497 18716 9093 1 15 . 1 1 92 92 ILE CB C 92 38.930 38.930 40.201 -1.271 18716 9094 1 15 . 1 1 92 92 ILE H H 92 8.335 8.335 8.137 0.198 18716 9095 1 15 . 1 1 93 93 ASP N N 93 129.228 129.228 125.915 3.313 18716 9096 1 15 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.976 -0.491 18716 9097 1 15 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.223 1.820 18716 9098 1 15 . 1 1 93 93 ASP CB C 93 40.396 40.396 42.648 -2.252 18716 9099 1 15 . 1 1 93 93 ASP H H 93 8.620 8.620 8.456 0.164 18716 9100 1 15 . 1 1 94 94 VAL N N 94 115.790 115.790 115.731 0.059 18716 9101 1 15 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.740 -0.107 18716 9102 1 15 . 1 1 94 94 VAL CA C 94 59.120 59.120 58.953 0.167 18716 9103 1 15 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.771 0.741 18716 9104 1 15 . 1 1 94 94 VAL H H 94 7.751 7.751 8.255 -0.504 18716 9105 1 15 . 1 1 95 95 LYS N N 95 118.915 118.915 118.131 0.784 18716 9106 1 15 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.539 -0.146 18716 9107 1 15 . 1 1 95 95 LYS CA C 95 56.671 56.671 56.170 0.501 18716 9108 1 15 . 1 1 95 95 LYS CB C 95 34.008 34.008 35.221 -1.213 18716 9109 1 15 . 1 1 95 95 LYS H H 95 9.239 9.239 8.425 0.814 18716 9110 1 15 . 1 1 96 96 ASP N N 96 112.040 112.040 114.254 -2.214 18716 9111 1 15 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.331 0.231 18716 9112 1 15 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.653 0.176 18716 9113 1 15 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.670 0.934 18716 9114 1 15 . 1 1 96 96 ASP H H 96 7.412 7.412 7.457 -0.045 18716 9115 1 15 . 1 1 97 97 THR N N 97 109.540 109.540 113.269 -3.729 18716 9116 1 15 . 1 1 97 97 THR HA H 97 3.661 3.661 4.099 -0.438 18716 9117 1 15 . 1 1 97 97 THR CA C 97 65.947 65.947 66.124 -0.177 18716 9118 1 15 . 1 1 97 97 THR CB C 97 70.285 70.285 69.059 1.226 18716 9119 1 15 . 1 1 97 97 THR H H 97 7.250 7.250 8.290 -1.040 18716 9120 1 15 . 1 1 98 98 LYS N N 98 121.102 121.102 122.286 -1.184 18716 9121 1 15 . 1 1 98 98 LYS HA H 98 3.945 3.945 4.047 -0.102 18716 9122 1 15 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.090 0.538 18716 9123 1 15 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.934 -0.007 18716 9124 1 15 . 1 1 98 98 LYS H H 98 7.868 7.868 7.872 -0.004 18716 9125 1 15 . 1 1 99 99 GLU N N 99 119.228 119.228 119.215 0.013 18716 9126 1 15 . 1 1 99 99 GLU HA H 99 4.077 4.077 3.970 0.107 18716 9127 1 15 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.573 0.222 18716 9128 1 15 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.624 0.622 18716 9129 1 15 . 1 1 99 99 GLU H H 99 8.384 8.384 8.670 -0.286 18716 9130 1 15 . 1 1 100 100 ALA N N 100 118.915 118.915 121.743 -2.828 18716 9131 1 15 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.126 0.260 18716 9132 1 15 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.818 0.578 18716 9133 1 15 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.398 1.361 18716 9134 1 15 . 1 1 100 100 ALA H H 100 7.382 7.382 7.474 -0.092 18716 9135 1 15 . 1 1 101 101 LEU N N 101 117.978 117.978 119.492 -1.514 18716 9136 1 15 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.043 -0.023 18716 9137 1 15 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.896 0.079 18716 9138 1 15 . 1 1 101 101 LEU CB C 101 41.493 41.493 40.928 0.564 18716 9139 1 15 . 1 1 101 101 LEU H H 101 8.119 8.119 7.588 0.531 18716 9140 1 15 . 1 1 102 102 ASP N N 102 120.478 120.478 119.771 0.707 18716 9141 1 15 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.644 -0.277 18716 9142 1 15 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.135 0.217 18716 9143 1 15 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.967 -1.245 18716 9144 1 15 . 1 1 102 102 ASP H H 102 8.679 8.679 8.102 0.577 18716 9145 1 15 . 1 1 103 103 LYS N N 103 120.165 120.165 119.523 0.642 18716 9146 1 15 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.070 0.094 18716 9147 1 15 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.755 -1.391 18716 9148 1 15 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.469 -0.937 18716 9149 1 15 . 1 1 103 103 LYS H H 103 8.207 8.207 7.410 0.797 18716 9150 1 15 . 1 1 104 104 ILE N N 104 119.852 119.852 119.913 -0.061 18716 9151 1 15 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.811 -0.001 18716 9152 1 15 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.155 -0.547 18716 9153 1 15 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.095 -0.661 18716 9154 1 15 . 1 1 104 104 ILE H H 104 8.163 8.163 7.831 0.332 18716 9155 1 15 . 1 1 105 105 GLU N N 105 121.415 121.415 119.814 1.601 18716 9156 1 15 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.889 0.146 18716 9157 1 15 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.943 -0.309 18716 9158 1 15 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.332 3.424 18716 9159 1 15 . 1 1 105 105 GLU H H 105 8.001 8.001 8.177 -0.176 18716 9160 1 15 . 1 1 106 106 GLU N N 106 119.228 119.228 118.455 0.773 18716 9161 1 15 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.008 0.082 18716 9162 1 15 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.531 -0.264 18716 9163 1 15 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.640 -0.043 18716 9164 1 15 . 1 1 106 106 GLU H H 106 8.031 8.031 7.943 0.088 18716 9165 1 15 . 1 1 107 107 GLU N N 107 118.915 118.915 119.090 -0.175 18716 9166 1 15 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.075 -0.002 18716 9167 1 15 . 1 1 107 107 GLU CA C 107 59.341 59.341 58.986 0.355 18716 9168 1 15 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.589 0.281 18716 9169 1 15 . 1 1 107 107 GLU H H 107 8.016 8.016 7.699 0.317 18716 9170 1 15 . 1 1 108 108 GLN N N 108 118.290 118.290 118.897 -0.607 18716 9171 1 15 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.104 0.043 18716 9172 1 15 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.662 -0.255 18716 9173 1 15 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.517 0.328 18716 9174 1 15 . 1 1 108 108 GLN H H 108 8.252 8.252 7.619 0.633 18716 9175 1 15 . 1 1 109 109 ASN N N 109 118.290 118.290 118.522 -0.232 18716 9176 1 15 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.488 0.129 18716 9177 1 15 . 1 1 109 109 ASN CA C 109 54.882 54.882 55.929 -1.047 18716 9178 1 15 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.455 0.070 18716 9179 1 15 . 1 1 109 109 ASN H H 109 8.252 8.252 8.098 0.154 18716 9180 1 15 . 1 1 110 110 LYS N N 110 120.478 120.478 119.594 0.884 18716 9181 1 15 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.153 0.077 18716 9182 1 15 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.522 -1.211 18716 9183 1 15 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.370 0.321 18716 9184 1 15 . 1 1 110 110 LYS H H 110 8.031 8.031 7.585 0.446 18716 9185 1 15 . 1 1 111 111 SER N N 111 114.540 114.540 113.974 0.566 18716 9186 1 15 . 1 1 111 111 SER HA H 111 4.368 4.368 4.335 0.033 18716 9187 1 15 . 1 1 111 111 SER CA C 111 59.764 59.764 61.130 -1.366 18716 9188 1 15 . 1 1 111 111 SER CB C 111 63.442 63.442 63.038 0.404 18716 9189 1 15 . 1 1 111 111 SER H H 111 8.031 8.031 7.629 0.402 18716 9190 1 15 . 1 1 112 112 LYS N N 112 122.040 122.040 120.987 1.053 18716 9191 1 15 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.171 0.074 18716 9192 1 15 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.193 -0.864 18716 9193 1 15 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.802 -0.027 18716 9194 1 15 . 1 1 112 112 LYS H H 112 7.957 7.957 7.943 0.014 18716 9195 1 15 . 1 1 113 113 LYS N N 113 120.790 120.790 119.103 1.687 18716 9196 1 15 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.099 0.051 18716 9197 1 15 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.035 0.099 18716 9198 1 15 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.448 0.318 18716 9199 1 15 . 1 1 113 113 LYS H H 113 8.016 8.016 7.980 0.036 18716 9200 1 15 . 1 1 114 114 LYS N N 114 121.728 121.728 116.708 5.020 18716 9201 1 15 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.368 -0.105 18716 9202 1 15 . 1 1 114 114 LYS CA C 114 57.185 57.185 55.769 1.416 18716 9203 1 15 . 1 1 114 114 LYS CB C 114 32.857 32.857 31.839 1.018 18716 9204 1 15 . 1 1 114 114 LYS H H 114 8.119 8.119 7.541 0.578 18716 9205 1 15 . 1 1 115 115 ALA N N 115 124.228 124.228 120.520 3.708 18716 9206 1 15 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.558 -0.290 18716 9207 1 15 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.459 0.576 18716 9208 1 15 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.912 0.126 18716 9209 1 15 . 1 1 115 115 ALA H H 115 8.178 8.178 7.759 0.419 18716 9210 1 15 . 1 1 116 116 GLN N N 116 119.228 119.228 118.962 0.266 18716 9211 1 15 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.193 0.055 18716 9212 1 15 . 1 1 116 116 GLN CA C 116 56.549 56.549 58.192 -1.643 18716 9213 1 15 . 1 1 116 116 GLN H H 116 8.237 8.237 8.448 -0.211 18716 9214 1 15 . 1 1 117 117 GLN N N 117 120.478 120.478 119.435 1.043 18716 9215 1 15 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.031 0.238 18716 9216 1 15 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.199 -1.875 18716 9217 1 15 . 1 1 117 117 GLN CB C 117 29.606 29.606 27.571 2.035 18716 9218 1 15 . 1 1 117 117 GLN H H 117 8.266 8.266 8.637 -0.371 18716 9219 1 15 . 1 1 118 118 ALA N N 118 124.852 124.852 121.659 3.193 18716 9220 1 15 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.131 0.145 18716 9221 1 15 . 1 1 118 118 ALA CA C 118 52.837 52.837 52.970 -0.133 18716 9222 1 15 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.375 0.687 18716 9223 1 15 . 1 1 118 118 ALA H H 118 8.266 8.266 8.158 0.108 18716 9224 1 15 . 1 1 119 119 ALA N N 119 122.978 122.978 120.657 2.321 18716 9225 1 15 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.620 -0.326 18716 9226 1 15 . 1 1 119 119 ALA CA C 119 52.637 52.637 50.712 1.925 18716 9227 1 15 . 1 1 119 119 ALA CB C 119 19.201 19.201 20.133 -0.932 18716 9228 1 15 . 1 1 119 119 ALA H H 119 8.163 8.163 7.671 0.492 18716 9229 1 15 . 1 1 120 120 ALA N N 120 122.665 122.665 119.490 3.175 18716 9230 1 15 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.018 0.259 18716 9231 1 15 . 1 1 120 120 ALA CA C 120 52.736 52.736 53.220 -0.484 18716 9232 1 15 . 1 1 120 120 ALA CB C 120 19.167 19.167 17.355 1.812 18716 9233 1 15 . 1 1 120 120 ALA H H 120 8.163 8.163 8.586 -0.423 18716 9234 1 15 . 1 1 121 121 ASP N N 121 119.228 119.228 118.215 1.013 18716 9235 1 15 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.778 -0.096 18716 9236 1 15 . 1 1 121 121 ASP CA C 121 54.264 54.264 53.912 0.352 18716 9237 1 15 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.985 0.143 18716 9238 1 15 . 1 1 121 121 ASP H H 121 8.252 8.252 8.765 -0.513 18716 9239 1 15 . 1 1 122 122 THR N N 122 113.602 113.602 109.527 4.075 18716 9240 1 15 . 1 1 122 122 THR HA H 122 4.358 4.358 4.760 -0.402 18716 9241 1 15 . 1 1 122 122 THR CA C 122 61.971 61.971 60.773 1.198 18716 9242 1 15 . 1 1 122 122 THR CB C 122 69.586 69.586 71.907 -2.321 18716 9243 1 15 . 1 1 122 122 THR H H 122 8.075 8.075 7.831 0.244 18716 9244 1 15 . 1 1 123 123 GLY N N 123 110.478 110.478 109.789 0.689 18716 9245 1 15 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.291 0.312 18716 9246 1 15 . 1 1 123 123 GLY H H 123 8.414 8.414 8.435 -0.021 18716 9247 1 15 . 1 1 124 124 ASN N N 124 118.602 118.602 120.519 -1.917 18716 9248 1 15 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.751 -0.143 18716 9249 1 15 . 1 1 124 124 ASN CA C 124 54.733 54.733 53.673 1.060 18716 9250 1 15 . 1 1 124 124 ASN CB C 124 38.538 38.538 38.902 -0.364 18716 9251 1 15 . 1 1 124 124 ASN H H 124 8.266 8.266 8.341 -0.075 18716 9252 1 15 . 1 1 125 125 ASN N N 125 119.228 119.228 120.412 -1.184 18716 9253 1 15 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.928 -0.204 18716 9254 1 15 . 1 1 125 125 ASN CA C 125 53.453 53.453 52.790 0.663 18716 9255 1 15 . 1 1 125 125 ASN CB C 125 38.813 38.813 40.549 -1.736 18716 9256 1 15 . 1 1 125 125 ASN H H 125 8.443 8.443 8.409 0.034 18716 9257 1 15 . 1 1 126 126 SER N N 126 115.790 115.790 115.688 0.102 18716 9258 1 15 . 1 1 126 126 SER HA H 126 4.388 4.388 4.617 -0.229 18716 9259 1 15 . 1 1 126 126 SER CA C 126 58.851 58.851 57.580 1.271 18716 9260 1 15 . 1 1 126 126 SER CB C 126 63.926 63.926 63.124 0.802 18716 9261 1 15 . 1 1 126 126 SER H H 126 8.266 8.266 8.230 0.036 18716 9262 1 15 . 1 1 127 127 GLN N N 127 121.728 121.728 125.318 -3.590 18716 9263 1 15 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.344 -0.021 18716 9264 1 15 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.794 0.429 18716 9265 1 15 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.102 0.066 18716 9266 1 15 . 1 1 127 127 GLN H H 127 8.355 8.355 8.723 -0.368 18716 9267 1 15 . 1 1 128 128 VAL N N 128 119.852 119.852 116.829 3.023 18716 9268 1 15 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.494 -0.385 18716 9269 1 15 . 1 1 128 128 VAL CA C 128 62.665 62.665 60.992 1.673 18716 9270 1 15 . 1 1 128 128 VAL CB C 128 32.769 32.769 33.151 -0.382 18716 9271 1 15 . 1 1 128 128 VAL H H 128 7.986 7.986 7.981 0.005 18716 9272 1 15 . 1 1 129 129 SER N N 129 117.978 117.978 117.787 0.191 18716 9273 1 15 . 1 1 129 129 SER HA H 129 4.136 4.136 4.850 -0.714 18716 9274 1 15 . 1 1 129 129 SER CA C 129 58.404 58.404 57.413 0.991 18716 9275 1 15 . 1 1 129 129 SER CB C 129 63.755 63.755 63.328 0.427 18716 9276 1 15 . 1 1 129 129 SER H H 129 8.252 8.252 8.430 -0.178 18716 9277 1 15 . 1 1 130 130 GLN N N 130 121.728 121.728 123.062 -1.334 18716 9278 1 15 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.502 -0.147 18716 9279 1 15 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.025 1.125 18716 9280 1 15 . 1 1 130 130 GLN CB C 130 29.373 29.373 30.422 -1.050 18716 9281 1 15 . 1 1 130 130 GLN H H 130 8.355 8.355 8.478 -0.123 18716 9282 1 15 . 1 1 131 131 ASN N N 131 118.290 118.290 116.854 1.436 18716 9283 1 15 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.279 0.353 18716 9284 1 15 . 1 1 131 131 ASN CA C 131 53.568 53.568 54.954 -1.386 18716 9285 1 15 . 1 1 131 131 ASN H H 131 8.252 8.252 8.942 -0.690 18716 9286 1 16 . 1 1 3 3 ALA N N 3 123.842 123.842 125.514 -1.672 18716 9287 1 16 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.776 -0.448 18716 9288 1 16 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.492 1.045 18716 9289 1 16 . 1 1 3 3 ALA CB C 3 17.251 17.251 20.858 -3.607 18716 9290 1 16 . 1 1 3 3 ALA H H 3 8.183 8.183 8.108 0.075 18716 9291 1 16 . 1 1 4 4 ARG N N 4 120.165 120.165 120.548 -0.383 18716 9292 1 16 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.607 -0.351 18716 9293 1 16 . 1 1 4 4 ARG CA C 4 55.965 55.965 56.214 -0.249 18716 9294 1 16 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.451 0.510 18716 9295 1 16 . 1 1 4 4 ARG H H 4 8.429 8.429 8.447 -0.018 18716 9296 1 16 . 1 1 5 5 ALA N N 5 125.165 125.165 126.681 -1.516 18716 9297 1 16 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.445 -0.163 18716 9298 1 16 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.581 0.790 18716 9299 1 16 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.198 -0.526 18716 9300 1 16 . 1 1 5 5 ALA H H 5 8.370 8.370 8.314 0.056 18716 9301 1 16 . 1 1 6 6 SER N N 6 114.540 114.540 116.253 -1.713 18716 9302 1 16 . 1 1 6 6 SER HA H 6 4.479 4.479 4.767 -0.288 18716 9303 1 16 . 1 1 6 6 SER CA C 6 57.804 57.804 57.453 0.351 18716 9304 1 16 . 1 1 6 6 SER CB C 6 64.034 64.034 64.337 -0.303 18716 9305 1 16 . 1 1 6 6 SER H H 6 8.134 8.134 8.307 -0.173 18716 9306 1 16 . 1 1 7 7 VAL N N 7 121.415 121.415 124.689 -3.274 18716 9307 1 16 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.921 -0.304 18716 9308 1 16 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.869 1.842 18716 9309 1 16 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.124 -0.188 18716 9310 1 16 . 1 1 7 7 VAL H H 7 8.119 8.119 8.510 -0.391 18716 9311 1 16 . 1 1 8 8 LEU N N 8 115.478 115.478 117.583 -2.105 18716 9312 1 16 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.730 0.184 18716 9313 1 16 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.197 -0.722 18716 9314 1 16 . 1 1 8 8 LEU CB C 8 44.314 44.314 43.844 0.470 18716 9315 1 16 . 1 1 8 8 LEU H H 8 7.382 7.382 7.529 -0.147 18716 9316 1 16 . 1 1 9 9 SER N N 9 118.290 118.290 119.401 -1.111 18716 9317 1 16 . 1 1 9 9 SER HA H 9 4.606 4.606 4.507 0.099 18716 9318 1 16 . 1 1 9 9 SER CA C 9 57.197 57.197 57.749 -0.552 18716 9319 1 16 . 1 1 9 9 SER CB C 9 65.426 65.426 65.468 -0.042 18716 9320 1 16 . 1 1 9 9 SER H H 9 9.166 9.166 8.991 0.175 18716 9321 1 16 . 1 1 10 10 GLY N N 10 109.228 109.228 108.640 0.588 18716 9322 1 16 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.899 0.775 18716 9323 1 16 . 1 1 10 10 GLY H H 10 8.959 8.959 8.719 0.240 18716 9324 1 16 . 1 1 11 11 GLY N N 11 111.102 111.102 109.878 1.224 18716 9325 1 16 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.451 0.210 18716 9326 1 16 . 1 1 11 11 GLY H H 11 8.782 8.782 7.826 0.956 18716 9327 1 16 . 1 1 12 12 GLU N N 12 120.165 120.165 122.101 -1.936 18716 9328 1 16 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.022 -0.072 18716 9329 1 16 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.692 0.404 18716 9330 1 16 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.556 1.734 18716 9331 1 16 . 1 1 12 12 GLU H H 12 7.751 7.751 7.532 0.219 18716 9332 1 16 . 1 1 13 13 LEU N N 13 121.415 121.415 121.960 -0.545 18716 9333 1 16 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.015 0.093 18716 9334 1 16 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.452 -0.390 18716 9335 1 16 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.929 -0.993 18716 9336 1 16 . 1 1 13 13 LEU H H 13 8.340 8.340 8.427 -0.087 18716 9337 1 16 . 1 1 14 14 ASP N N 14 116.415 116.415 118.032 -1.617 18716 9338 1 16 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.355 0.038 18716 9339 1 16 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.890 -0.754 18716 9340 1 16 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.807 0.279 18716 9341 1 16 . 1 1 14 14 ASP H H 14 7.574 7.574 7.858 -0.284 18716 9342 1 16 . 1 1 15 15 LYS N N 15 115.478 115.478 119.328 -3.850 18716 9343 1 16 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.165 -0.119 18716 9344 1 16 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.318 -0.916 18716 9345 1 16 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.628 -0.269 18716 9346 1 16 . 1 1 15 15 LYS H H 15 7.117 7.117 7.374 -0.257 18716 9347 1 16 . 1 1 16 16 TRP N N 16 121.693 121.693 121.819 -0.126 18716 9348 1 16 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.281 -0.256 18716 9349 1 16 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.772 -0.486 18716 9350 1 16 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.514 1.599 18716 9351 1 16 . 1 1 16 16 TRP H H 16 8.646 8.646 8.614 0.032 18716 9352 1 16 . 1 1 17 17 GLU N N 17 127.710 127.710 115.674 12.036 18716 9353 1 16 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.500 0.191 18716 9354 1 16 . 1 1 17 17 GLU CA C 17 56.769 56.769 57.815 -1.046 18716 9355 1 16 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.730 0.015 18716 9356 1 16 . 1 1 17 17 GLU H H 17 7.571 7.571 7.901 -0.330 18716 9357 1 16 . 1 1 18 18 LYS N N 18 115.790 115.790 119.222 -3.432 18716 9358 1 16 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.375 0.122 18716 9359 1 16 . 1 1 18 18 LYS CA C 18 55.569 55.569 55.607 -0.038 18716 9360 1 16 . 1 1 18 18 LYS CB C 18 33.939 33.939 32.850 1.089 18716 9361 1 16 . 1 1 18 18 LYS H H 18 7.456 7.456 7.602 -0.146 18716 9362 1 16 . 1 1 19 19 ILE N N 19 124.228 124.228 119.614 4.614 18716 9363 1 16 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.436 -0.879 18716 9364 1 16 . 1 1 19 19 ILE CA C 19 63.120 63.120 59.766 3.354 18716 9365 1 16 . 1 1 19 19 ILE CB C 19 38.182 38.182 40.599 -2.417 18716 9366 1 16 . 1 1 19 19 ILE H H 19 7.633 7.633 7.209 0.424 18716 9367 1 16 . 1 1 20 20 ARG N N 20 125.790 125.790 125.766 0.024 18716 9368 1 16 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.479 -0.051 18716 9369 1 16 . 1 1 20 20 ARG CA C 20 56.495 56.495 56.582 -0.087 18716 9370 1 16 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.006 0.531 18716 9371 1 16 . 1 1 20 20 ARG H H 20 8.031 8.031 8.781 -0.750 18716 9372 1 16 . 1 1 21 21 LEU N N 21 120.165 120.165 123.541 -3.376 18716 9373 1 16 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.566 -0.135 18716 9374 1 16 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.988 1.247 18716 9375 1 16 . 1 1 21 21 LEU CB C 21 41.554 41.554 41.896 -0.342 18716 9376 1 16 . 1 1 21 21 LEU H H 21 7.810 7.810 8.682 -0.872 18716 9377 1 16 . 1 1 22 22 ARG N N 22 119.540 119.540 113.511 6.029 18716 9378 1 16 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.672 0.173 18716 9379 1 16 . 1 1 22 22 ARG CA C 22 52.844 52.844 52.842 0.002 18716 9380 1 16 . 1 1 22 22 ARG CB C 22 31.617 31.617 30.096 1.522 18716 9381 1 16 . 1 1 22 22 ARG H H 22 8.974 8.974 7.347 1.627 18716 9382 1 16 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.346 0.014 18716 9383 1 16 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.436 -1.000 18716 9384 1 16 . 1 1 23 23 PRO CB C 23 31.565 31.565 31.933 -0.368 18716 9385 1 16 . 1 1 24 24 GLY N N 24 112.665 112.665 108.543 4.122 18716 9386 1 16 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.303 1.502 18716 9387 1 16 . 1 1 24 24 GLY H H 24 9.138 9.138 8.195 0.943 18716 9388 1 16 . 1 1 25 25 GLY N N 25 107.978 107.978 106.847 1.131 18716 9389 1 16 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.905 -0.333 18716 9390 1 16 . 1 1 25 25 GLY H H 25 8.134 8.134 7.209 0.925 18716 9391 1 16 . 1 1 26 26 LYS N N 26 117.665 117.665 120.145 -2.480 18716 9392 1 16 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.489 -0.225 18716 9393 1 16 . 1 1 26 26 LYS CA C 26 56.853 56.853 55.943 0.910 18716 9394 1 16 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.987 1.069 18716 9395 1 16 . 1 1 26 26 LYS H H 26 8.665 8.665 8.423 0.242 18716 9396 1 16 . 1 1 27 27 LYS N N 27 117.925 117.925 120.319 -2.394 18716 9397 1 16 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.609 -0.298 18716 9398 1 16 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.047 2.164 18716 9399 1 16 . 1 1 27 27 LYS CB C 27 33.878 33.878 33.918 -0.040 18716 9400 1 16 . 1 1 27 27 LYS H H 27 7.817 7.817 8.057 -0.240 18716 9401 1 16 . 1 1 28 28 GLN N N 28 122.978 122.978 122.134 0.844 18716 9402 1 16 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.676 0.140 18716 9403 1 16 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.136 -0.663 18716 9404 1 16 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.457 3.597 18716 9405 1 16 . 1 1 28 28 GLN H H 28 8.458 8.458 8.528 -0.070 18716 9406 1 16 . 1 1 29 29 TYR N N 29 119.540 119.540 119.248 0.292 18716 9407 1 16 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.563 -0.831 18716 9408 1 16 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.779 2.231 18716 9409 1 16 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.595 -2.379 18716 9410 1 16 . 1 1 29 29 TYR H H 29 7.824 7.824 8.318 -0.494 18716 9411 1 16 . 1 1 30 30 LYS N N 30 117.978 117.978 120.784 -2.806 18716 9412 1 16 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.863 0.353 18716 9413 1 16 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.189 -1.124 18716 9414 1 16 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.042 2.546 18716 9415 1 16 . 1 1 30 30 LYS H H 30 10.610 10.610 9.183 1.427 18716 9416 1 16 . 1 1 31 31 LEU N N 31 128.602 128.602 125.880 2.722 18716 9417 1 16 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.093 0.088 18716 9418 1 16 . 1 1 31 31 LEU CA C 31 59.234 59.234 57.881 1.353 18716 9419 1 16 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.340 -0.338 18716 9420 1 16 . 1 1 31 31 LEU H H 31 9.991 9.991 8.815 1.176 18716 9421 1 16 . 1 1 32 32 LYS N N 32 115.165 115.165 118.504 -3.339 18716 9422 1 16 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.941 0.204 18716 9423 1 16 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.278 -0.181 18716 9424 1 16 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.980 -0.421 18716 9425 1 16 . 1 1 32 32 LYS H H 32 8.399 8.399 8.639 -0.240 18716 9426 1 16 . 1 1 33 33 HIS N N 33 119.540 119.540 117.362 2.178 18716 9427 1 16 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.681 -0.077 18716 9428 1 16 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.316 3.575 18716 9429 1 16 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.696 2.088 18716 9430 1 16 . 1 1 33 33 HIS H H 33 8.193 8.193 7.896 0.297 18716 9431 1 16 . 1 1 34 34 ILE N N 34 119.540 119.540 120.726 -1.186 18716 9432 1 16 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.707 0.087 18716 9433 1 16 . 1 1 34 34 ILE CA C 34 63.848 63.848 65.306 -1.458 18716 9434 1 16 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.524 -0.545 18716 9435 1 16 . 1 1 34 34 ILE H H 34 7.898 7.898 7.589 0.309 18716 9436 1 16 . 1 1 35 35 VAL N N 35 122.040 122.040 118.504 3.536 18716 9437 1 16 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.757 -0.145 18716 9438 1 16 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.123 0.623 18716 9439 1 16 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.077 1.065 18716 9440 1 16 . 1 1 35 35 VAL H H 35 7.706 7.706 8.366 -0.660 18716 9441 1 16 . 1 1 36 36 TRP N N 36 119.986 119.986 122.857 -2.871 18716 9442 1 16 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.210 0.023 18716 9443 1 16 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.076 0.034 18716 9444 1 16 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.203 -0.790 18716 9445 1 16 . 1 1 36 36 TRP H H 36 8.452 8.452 7.621 0.831 18716 9446 1 16 . 1 1 37 37 ALA N N 37 120.478 120.478 119.867 0.611 18716 9447 1 16 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.537 -0.145 18716 9448 1 16 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.266 -0.129 18716 9449 1 16 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.137 -0.708 18716 9450 1 16 . 1 1 37 37 ALA H H 37 8.311 8.311 8.167 0.144 18716 9451 1 16 . 1 1 38 38 SER N N 38 111.415 111.415 114.004 -2.589 18716 9452 1 16 . 1 1 38 38 SER HA H 38 3.906 3.906 4.067 -0.161 18716 9453 1 16 . 1 1 38 38 SER CA C 38 62.801 62.801 61.872 0.929 18716 9454 1 16 . 1 1 38 38 SER CB C 38 62.829 62.829 62.865 -0.036 18716 9455 1 16 . 1 1 38 38 SER H H 38 8.259 8.259 7.726 0.533 18716 9456 1 16 . 1 1 39 39 ARG N N 39 119.852 119.852 120.045 -0.193 18716 9457 1 16 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.054 0.092 18716 9458 1 16 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.037 -0.627 18716 9459 1 16 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.065 -0.057 18716 9460 1 16 . 1 1 39 39 ARG H H 39 7.559 7.559 7.471 0.088 18716 9461 1 16 . 1 1 40 40 GLU N N 40 121.102 121.102 118.691 2.411 18716 9462 1 16 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.939 -0.152 18716 9463 1 16 . 1 1 40 40 GLU CA C 40 58.281 58.281 57.690 0.591 18716 9464 1 16 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.101 0.574 18716 9465 1 16 . 1 1 40 40 GLU H H 40 8.222 8.222 7.055 1.167 18716 9466 1 16 . 1 1 41 41 LEU N N 41 117.040 117.040 121.389 -4.349 18716 9467 1 16 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.063 -0.103 18716 9468 1 16 . 1 1 41 41 LEU CA C 41 58.297 58.297 58.175 0.122 18716 9469 1 16 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.986 -1.806 18716 9470 1 16 . 1 1 41 41 LEU H H 41 8.016 8.016 8.304 -0.288 18716 9471 1 16 . 1 1 42 42 GLU N N 42 117.352 117.352 118.563 -1.211 18716 9472 1 16 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.124 0.003 18716 9473 1 16 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.140 0.431 18716 9474 1 16 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.324 0.341 18716 9475 1 16 . 1 1 42 42 GLU H H 42 7.559 7.559 7.690 -0.131 18716 9476 1 16 . 1 1 43 43 ARG N N 43 119.540 119.540 118.570 0.970 18716 9477 1 16 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.052 -0.025 18716 9478 1 16 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.150 0.451 18716 9479 1 16 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.118 -0.453 18716 9480 1 16 . 1 1 43 43 ARG H H 43 7.647 7.647 7.729 -0.082 18716 9481 1 16 . 1 1 44 44 PHE N N 44 117.665 117.665 118.733 -1.068 18716 9482 1 16 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.653 -0.037 18716 9483 1 16 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.653 0.772 18716 9484 1 16 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.511 0.643 18716 9485 1 16 . 1 1 44 44 PHE H H 44 7.529 7.529 7.710 -0.181 18716 9486 1 16 . 1 1 45 45 ALA N N 45 118.915 118.915 119.576 -0.661 18716 9487 1 16 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.961 0.054 18716 9488 1 16 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.211 0.204 18716 9489 1 16 . 1 1 45 45 ALA CB C 45 16.281 16.281 17.064 -0.783 18716 9490 1 16 . 1 1 45 45 ALA H H 45 7.928 7.928 7.687 0.241 18716 9491 1 16 . 1 1 46 46 VAL N N 46 119.540 119.540 119.149 0.391 18716 9492 1 16 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.224 -0.129 18716 9493 1 16 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.145 0.644 18716 9494 1 16 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.377 0.043 18716 9495 1 16 . 1 1 46 46 VAL H H 46 7.765 7.765 7.815 -0.050 18716 9496 1 16 . 1 1 47 47 ASN N N 47 125.790 125.790 125.796 -0.006 18716 9497 1 16 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.795 -0.149 18716 9498 1 16 . 1 1 47 47 ASN CA C 47 50.997 50.997 51.908 -0.911 18716 9499 1 16 . 1 1 47 47 ASN CB C 47 39.086 39.086 39.340 -0.254 18716 9500 1 16 . 1 1 47 47 ASN H H 47 8.399 8.399 8.765 -0.366 18716 9501 1 16 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.407 -0.185 18716 9502 1 16 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.149 0.165 18716 9503 1 16 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.945 -0.205 18716 9504 1 16 . 1 1 49 49 GLY N N 49 108.290 108.290 107.154 1.136 18716 9505 1 16 . 1 1 49 49 GLY CA C 49 46.530 46.530 45.011 1.519 18716 9506 1 16 . 1 1 49 49 GLY H H 49 8.620 8.620 8.132 0.488 18716 9507 1 16 . 1 1 50 50 LEU N N 50 121.728 121.728 118.961 2.767 18716 9508 1 16 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.446 -0.309 18716 9509 1 16 . 1 1 50 50 LEU CA C 50 57.299 57.299 54.929 2.370 18716 9510 1 16 . 1 1 50 50 LEU CB C 50 41.563 41.563 42.647 -1.084 18716 9511 1 16 . 1 1 50 50 LEU H H 50 7.765 7.765 7.301 0.464 18716 9512 1 16 . 1 1 51 51 LEU N N 51 112.040 112.040 119.714 -7.674 18716 9513 1 16 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.136 0.090 18716 9514 1 16 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.258 -0.751 18716 9515 1 16 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.847 0.643 18716 9516 1 16 . 1 1 51 51 LEU H H 51 7.412 7.412 7.486 -0.074 18716 9517 1 16 . 1 1 52 52 GLU N N 52 114.540 114.540 114.448 0.092 18716 9518 1 16 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.371 -0.316 18716 9519 1 16 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.789 1.595 18716 9520 1 16 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.189 1.869 18716 9521 1 16 . 1 1 52 52 GLU H H 52 7.500 7.500 8.529 -1.029 18716 9522 1 16 . 1 1 53 53 THR N N 53 122.978 122.978 111.015 11.963 18716 9523 1 16 . 1 1 53 53 THR HA H 53 4.402 4.402 4.504 -0.102 18716 9524 1 16 . 1 1 53 53 THR CA C 53 58.306 58.306 59.601 -1.295 18716 9525 1 16 . 1 1 53 53 THR CB C 53 73.222 73.222 71.702 1.520 18716 9526 1 16 . 1 1 53 53 THR H H 53 7.235 7.235 7.445 -0.210 18716 9527 1 16 . 1 1 54 54 SER N N 54 119.228 119.228 121.281 -2.053 18716 9528 1 16 . 1 1 54 54 SER HA H 54 4.043 4.043 4.188 -0.145 18716 9529 1 16 . 1 1 54 54 SER CA C 54 62.657 62.657 61.769 0.888 18716 9530 1 16 . 1 1 54 54 SER CB C 54 62.562 62.562 62.967 -0.405 18716 9531 1 16 . 1 1 54 54 SER H H 54 9.313 9.313 8.953 0.360 18716 9532 1 16 . 1 1 55 55 GLU N N 55 121.233 121.233 121.381 -0.148 18716 9533 1 16 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.344 -0.275 18716 9534 1 16 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.903 0.772 18716 9535 1 16 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.401 -0.403 18716 9536 1 16 . 1 1 55 55 GLU H H 55 8.975 8.975 8.554 0.421 18716 9537 1 16 . 1 1 56 56 GLY N N 56 110.790 110.790 108.713 2.077 18716 9538 1 16 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.250 0.616 18716 9539 1 16 . 1 1 56 56 GLY H H 56 8.517 8.517 8.263 0.254 18716 9540 1 16 . 1 1 57 57 CYS N N 57 118.602 118.602 120.134 -1.532 18716 9541 1 16 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.066 -0.042 18716 9542 1 16 . 1 1 57 57 CYS CA C 57 64.602 64.602 64.045 0.557 18716 9543 1 16 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.348 20.447 18716 9544 1 16 . 1 1 57 57 CYS H H 57 8.134 8.134 7.871 0.263 18716 9545 1 16 . 1 1 58 58 ARG N N 58 119.540 119.540 120.359 -0.819 18716 9546 1 16 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.701 -0.151 18716 9547 1 16 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.818 -0.111 18716 9548 1 16 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.944 -0.495 18716 9549 1 16 . 1 1 58 58 ARG H H 58 8.488 8.488 7.796 0.692 18716 9550 1 16 . 1 1 59 59 GLN N N 59 119.852 119.852 117.822 2.030 18716 9551 1 16 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.069 -0.017 18716 9552 1 16 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.793 0.607 18716 9553 1 16 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.618 -0.384 18716 9554 1 16 . 1 1 59 59 GLN H H 59 8.016 8.016 7.714 0.302 18716 9555 1 16 . 1 1 60 60 ILE N N 60 120.790 120.790 120.366 0.424 18716 9556 1 16 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.730 -0.118 18716 9557 1 16 . 1 1 60 60 ILE CA C 60 65.651 65.651 64.939 0.712 18716 9558 1 16 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.072 -0.222 18716 9559 1 16 . 1 1 60 60 ILE H H 60 8.163 8.163 7.651 0.512 18716 9560 1 16 . 1 1 61 61 LEU N N 61 118.915 118.915 119.457 -0.542 18716 9561 1 16 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.201 -0.306 18716 9562 1 16 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.780 0.874 18716 9563 1 16 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.403 -0.627 18716 9564 1 16 . 1 1 61 61 LEU H H 61 8.370 8.370 8.664 -0.294 18716 9565 1 16 . 1 1 62 62 GLY N N 62 104.332 104.332 106.599 -2.267 18716 9566 1 16 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.795 0.389 18716 9567 1 16 . 1 1 62 62 GLY H H 62 7.883 7.883 7.999 -0.116 18716 9568 1 16 . 1 1 63 63 GLN N N 63 119.852 119.852 118.583 1.269 18716 9569 1 16 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.291 -0.143 18716 9570 1 16 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.003 0.870 18716 9571 1 16 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.310 -0.195 18716 9572 1 16 . 1 1 63 63 GLN H H 63 7.795 7.795 7.592 0.203 18716 9573 1 16 . 1 1 64 64 LEU N N 64 117.040 117.040 119.153 -2.113 18716 9574 1 16 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.094 0.164 18716 9575 1 16 . 1 1 64 64 LEU CA C 64 56.183 56.183 55.829 0.354 18716 9576 1 16 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.795 2.403 18716 9577 1 16 . 1 1 64 64 LEU H H 64 8.252 8.252 7.289 0.963 18716 9578 1 16 . 1 1 65 65 GLN N N 65 118.915 118.915 118.292 0.623 18716 9579 1 16 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.797 -0.018 18716 9580 1 16 . 1 1 65 65 GLN CA C 65 61.547 61.547 59.612 1.935 18716 9581 1 16 . 1 1 65 65 GLN CB C 65 25.864 25.864 27.859 -1.995 18716 9582 1 16 . 1 1 65 65 GLN H H 65 8.104 8.104 7.975 0.129 18716 9583 1 16 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.318 0.065 18716 9584 1 16 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.638 1.280 18716 9585 1 16 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.310 -0.211 18716 9586 1 16 . 1 1 67 67 SER N N 67 111.415 111.415 113.021 -1.606 18716 9587 1 16 . 1 1 67 67 SER HA H 67 4.493 4.493 4.609 -0.116 18716 9588 1 16 . 1 1 67 67 SER CA C 67 59.696 59.696 58.124 1.572 18716 9589 1 16 . 1 1 67 67 SER CB C 67 64.031 64.031 62.511 1.520 18716 9590 1 16 . 1 1 67 67 SER H H 67 7.824 7.824 7.789 0.035 18716 9591 1 16 . 1 1 68 68 LEU N N 68 121.102 121.102 121.495 -0.393 18716 9592 1 16 . 1 1 68 68 LEU HA H 68 3.816 3.816 4.004 -0.188 18716 9593 1 16 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.422 0.526 18716 9594 1 16 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.874 -0.105 18716 9595 1 16 . 1 1 68 68 LEU H H 68 7.647 7.647 7.227 0.420 18716 9596 1 16 . 1 1 69 69 GLN N N 69 116.415 116.415 118.020 -1.605 18716 9597 1 16 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.211 -0.142 18716 9598 1 16 . 1 1 69 69 GLN CA C 69 58.470 58.470 57.586 0.885 18716 9599 1 16 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.074 -0.646 18716 9600 1 16 . 1 1 69 69 GLN H H 69 8.060 8.060 8.425 -0.365 18716 9601 1 16 . 1 1 70 70 THR N N 70 106.728 106.728 114.735 -8.007 18716 9602 1 16 . 1 1 70 70 THR HA H 70 4.481 4.481 4.461 0.020 18716 9603 1 16 . 1 1 70 70 THR CA C 70 61.291 61.291 62.026 -0.735 18716 9604 1 16 . 1 1 70 70 THR CB C 70 69.415 69.415 68.428 0.987 18716 9605 1 16 . 1 1 70 70 THR H H 70 7.515 7.515 8.134 -0.619 18716 9606 1 16 . 1 1 71 71 GLY N N 71 109.540 109.540 109.885 -0.345 18716 9607 1 16 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.073 1.480 18716 9608 1 16 . 1 1 71 71 GLY H H 71 7.692 7.692 7.315 0.377 18716 9609 1 16 . 1 1 72 72 SER N N 72 114.540 114.540 114.860 -0.320 18716 9610 1 16 . 1 1 72 72 SER HA H 72 4.625 4.625 4.799 -0.174 18716 9611 1 16 . 1 1 72 72 SER CA C 72 57.319 57.319 56.960 0.359 18716 9612 1 16 . 1 1 72 72 SER CB C 72 64.599 64.599 65.263 -0.663 18716 9613 1 16 . 1 1 72 72 SER H H 72 8.045 8.045 8.059 -0.014 18716 9614 1 16 . 1 1 73 73 GLU N N 73 124.228 124.228 119.466 4.762 18716 9615 1 16 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.044 0.043 18716 9616 1 16 . 1 1 73 73 GLU CA C 73 59.380 59.380 58.964 0.416 18716 9617 1 16 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.296 0.006 18716 9618 1 16 . 1 1 73 73 GLU H H 73 9.092 9.092 8.961 0.131 18716 9619 1 16 . 1 1 74 74 GLU N N 74 120.165 120.165 118.889 1.276 18716 9620 1 16 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.381 -0.123 18716 9621 1 16 . 1 1 74 74 GLU CA C 74 60.306 60.306 58.780 1.526 18716 9622 1 16 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.830 -0.368 18716 9623 1 16 . 1 1 74 74 GLU H H 74 8.665 8.665 7.780 0.885 18716 9624 1 16 . 1 1 75 75 LEU N N 75 121.415 121.415 121.993 -0.578 18716 9625 1 16 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.186 -0.003 18716 9626 1 16 . 1 1 75 75 LEU CA C 75 57.932 57.932 58.097 -0.165 18716 9627 1 16 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.045 -0.867 18716 9628 1 16 . 1 1 75 75 LEU H H 75 7.765 7.765 7.576 0.189 18716 9629 1 16 . 1 1 76 76 ARG N N 76 119.228 119.228 119.226 0.002 18716 9630 1 16 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.981 -0.048 18716 9631 1 16 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.111 -0.429 18716 9632 1 16 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.370 -1.173 18716 9633 1 16 . 1 1 76 76 ARG H H 76 7.868 7.868 8.183 -0.315 18716 9634 1 16 . 1 1 77 77 SER N N 77 114.228 114.228 116.163 -1.935 18716 9635 1 16 . 1 1 77 77 SER HA H 77 4.263 4.263 4.217 0.046 18716 9636 1 16 . 1 1 77 77 SER CA C 77 62.668 62.668 61.773 0.895 18716 9637 1 16 . 1 1 77 77 SER CB C 77 62.849 62.849 62.940 -0.091 18716 9638 1 16 . 1 1 77 77 SER H H 77 8.576 8.576 7.904 0.672 18716 9639 1 16 . 1 1 78 78 LEU N N 78 125.790 125.790 124.006 1.784 18716 9640 1 16 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.280 0.141 18716 9641 1 16 . 1 1 78 78 LEU CA C 78 58.962 58.962 57.978 0.984 18716 9642 1 16 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.121 0.797 18716 9643 1 16 . 1 1 78 78 LEU H H 78 8.458 8.458 7.962 0.496 18716 9644 1 16 . 1 1 79 79 TYR N N 79 119.852 119.852 119.166 0.686 18716 9645 1 16 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.071 -0.410 18716 9646 1 16 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.718 1.084 18716 9647 1 16 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.344 0.850 18716 9648 1 16 . 1 1 79 79 TYR H H 79 8.694 8.694 8.582 0.112 18716 9649 1 16 . 1 1 80 80 ASN N N 80 117.040 117.040 117.951 -0.911 18716 9650 1 16 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.516 -0.232 18716 9651 1 16 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.089 -0.302 18716 9652 1 16 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.328 -0.489 18716 9653 1 16 . 1 1 80 80 ASN H H 80 8.871 8.871 7.938 0.933 18716 9654 1 16 . 1 1 81 81 THR N N 81 115.790 115.790 118.552 -2.762 18716 9655 1 16 . 1 1 81 81 THR HA H 81 3.945 3.945 4.043 -0.098 18716 9656 1 16 . 1 1 81 81 THR CA C 81 67.855 67.855 67.817 0.038 18716 9657 1 16 . 1 1 81 81 THR CB C 81 69.140 69.140 69.115 0.025 18716 9658 1 16 . 1 1 81 81 THR H H 81 8.119 8.119 8.383 -0.264 18716 9659 1 16 . 1 1 82 82 ILE N N 82 121.102 121.102 120.916 0.186 18716 9660 1 16 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.741 -0.073 18716 9661 1 16 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.373 -0.853 18716 9662 1 16 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.374 -0.888 18716 9663 1 16 . 1 1 82 82 ILE H H 82 8.090 8.090 8.651 -0.561 18716 9664 1 16 . 1 1 83 83 ALA N N 83 125.165 125.165 122.863 2.302 18716 9665 1 16 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.881 0.010 18716 9666 1 16 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.210 0.645 18716 9667 1 16 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.858 -0.017 18716 9668 1 16 . 1 1 83 83 ALA H H 83 8.782 8.782 7.347 1.435 18716 9669 1 16 . 1 1 84 84 VAL N N 84 117.665 117.665 118.804 -1.139 18716 9670 1 16 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.575 -0.247 18716 9671 1 16 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.401 1.063 18716 9672 1 16 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.438 -0.743 18716 9673 1 16 . 1 1 84 84 VAL H H 84 7.795 7.795 7.799 -0.004 18716 9674 1 16 . 1 1 85 85 LEU N N 85 122.040 122.040 120.523 1.517 18716 9675 1 16 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.985 -0.170 18716 9676 1 16 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.185 0.125 18716 9677 1 16 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.973 0.175 18716 9678 1 16 . 1 1 85 85 LEU H H 85 8.163 8.163 8.026 0.137 18716 9679 1 16 . 1 1 86 86 TYR N N 86 118.915 118.915 120.344 -1.429 18716 9680 1 16 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.014 -0.102 18716 9681 1 16 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.757 1.061 18716 9682 1 16 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.268 0.019 18716 9683 1 16 . 1 1 86 86 TYR H H 86 9.062 9.062 8.452 0.610 18716 9684 1 16 . 1 1 87 87 CYS N N 87 116.102 116.102 115.588 0.514 18716 9685 1 16 . 1 1 87 87 CYS HA H 87 3.794 3.794 4.004 -0.210 18716 9686 1 16 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.174 2.792 18716 9687 1 16 . 1 1 87 87 CYS CB C 87 46.557 46.557 25.971 20.586 18716 9688 1 16 . 1 1 87 87 CYS H H 87 7.515 7.515 8.231 -0.716 18716 9689 1 16 . 1 1 88 88 VAL N N 88 119.978 119.978 119.305 0.673 18716 9690 1 16 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.746 0.132 18716 9691 1 16 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.839 0.582 18716 9692 1 16 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.771 -0.184 18716 9693 1 16 . 1 1 88 88 VAL H H 88 8.429 8.429 7.510 0.919 18716 9694 1 16 . 1 1 89 89 HIS N N 89 118.915 118.915 115.432 3.483 18716 9695 1 16 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.464 0.411 18716 9696 1 16 . 1 1 89 89 HIS CA C 89 57.120 57.120 57.111 0.008 18716 9697 1 16 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.245 -0.162 18716 9698 1 16 . 1 1 89 89 HIS H H 89 8.797 8.797 7.219 1.578 18716 9699 1 16 . 1 1 90 90 GLN N N 90 116.728 116.728 117.105 -0.377 18716 9700 1 16 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.167 0.218 18716 9701 1 16 . 1 1 90 90 GLN CA C 90 55.289 55.289 57.188 -1.899 18716 9702 1 16 . 1 1 90 90 GLN CB C 90 30.952 30.952 30.151 0.801 18716 9703 1 16 . 1 1 90 90 GLN H H 90 7.986 7.986 7.917 0.069 18716 9704 1 16 . 1 1 91 91 ARG N N 91 115.165 115.165 114.361 0.804 18716 9705 1 16 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.379 -0.366 18716 9706 1 16 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.251 0.932 18716 9707 1 16 . 1 1 91 91 ARG CB C 91 26.049 26.049 30.489 -4.440 18716 9708 1 16 . 1 1 91 91 ARG H H 91 7.883 7.883 7.680 0.203 18716 9709 1 16 . 1 1 92 92 ILE N N 92 120.087 120.087 123.739 -3.652 18716 9710 1 16 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.004 -0.019 18716 9711 1 16 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.972 -2.316 18716 9712 1 16 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.279 0.652 18716 9713 1 16 . 1 1 92 92 ILE H H 92 8.335 8.335 8.095 0.240 18716 9714 1 16 . 1 1 93 93 ASP N N 93 129.228 129.228 127.854 1.374 18716 9715 1 16 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.790 -0.305 18716 9716 1 16 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.039 2.004 18716 9717 1 16 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.403 -0.007 18716 9718 1 16 . 1 1 93 93 ASP H H 93 8.620 8.620 8.430 0.190 18716 9719 1 16 . 1 1 94 94 VAL N N 94 115.790 115.790 117.336 -1.546 18716 9720 1 16 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.907 0.726 18716 9721 1 16 . 1 1 94 94 VAL CA C 94 59.120 59.120 61.783 -2.663 18716 9722 1 16 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.595 2.917 18716 9723 1 16 . 1 1 94 94 VAL H H 94 7.751 7.751 7.427 0.324 18716 9724 1 16 . 1 1 95 95 LYS N N 95 118.915 118.915 119.676 -0.761 18716 9725 1 16 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.446 -0.053 18716 9726 1 16 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.199 -0.527 18716 9727 1 16 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.494 0.514 18716 9728 1 16 . 1 1 95 95 LYS H H 95 9.239 9.239 8.465 0.774 18716 9729 1 16 . 1 1 96 96 ASP N N 96 112.040 112.040 112.426 -0.386 18716 9730 1 16 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.367 0.195 18716 9731 1 16 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.419 0.409 18716 9732 1 16 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.990 0.614 18716 9733 1 16 . 1 1 96 96 ASP H H 96 7.412 7.412 7.530 -0.118 18716 9734 1 16 . 1 1 97 97 THR N N 97 109.540 109.540 114.397 -4.857 18716 9735 1 16 . 1 1 97 97 THR HA H 97 3.661 3.661 4.009 -0.348 18716 9736 1 16 . 1 1 97 97 THR CA C 97 65.947 65.947 66.850 -0.903 18716 9737 1 16 . 1 1 97 97 THR CB C 97 70.285 70.285 69.023 1.262 18716 9738 1 16 . 1 1 97 97 THR H H 97 7.250 7.250 8.229 -0.979 18716 9739 1 16 . 1 1 98 98 LYS N N 98 121.102 121.102 122.045 -0.943 18716 9740 1 16 . 1 1 98 98 LYS HA H 98 3.945 3.945 4.037 -0.092 18716 9741 1 16 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.316 0.312 18716 9742 1 16 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.003 -0.076 18716 9743 1 16 . 1 1 98 98 LYS H H 98 7.868 7.868 8.315 -0.447 18716 9744 1 16 . 1 1 99 99 GLU N N 99 119.228 119.228 119.319 -0.091 18716 9745 1 16 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.065 0.012 18716 9746 1 16 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.431 0.363 18716 9747 1 16 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.723 0.523 18716 9748 1 16 . 1 1 99 99 GLU H H 99 8.384 8.384 8.605 -0.221 18716 9749 1 16 . 1 1 100 100 ALA N N 100 118.915 118.915 123.241 -4.326 18716 9750 1 16 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.099 0.287 18716 9751 1 16 . 1 1 100 100 ALA CA C 100 55.396 55.396 55.159 0.237 18716 9752 1 16 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.520 1.239 18716 9753 1 16 . 1 1 100 100 ALA H H 100 7.382 7.382 7.682 -0.300 18716 9754 1 16 . 1 1 101 101 LEU N N 101 117.978 117.978 115.076 2.902 18716 9755 1 16 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.207 -0.187 18716 9756 1 16 . 1 1 101 101 LEU CA C 101 57.975 57.975 56.946 1.029 18716 9757 1 16 . 1 1 101 101 LEU CB C 101 41.493 41.493 40.833 0.660 18716 9758 1 16 . 1 1 101 101 LEU H H 101 8.119 8.119 7.732 0.387 18716 9759 1 16 . 1 1 102 102 ASP N N 102 120.478 120.478 118.953 1.525 18716 9760 1 16 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.628 -0.261 18716 9761 1 16 . 1 1 102 102 ASP CA C 102 57.352 57.352 56.911 0.441 18716 9762 1 16 . 1 1 102 102 ASP CB C 102 39.722 39.722 41.797 -2.075 18716 9763 1 16 . 1 1 102 102 ASP H H 102 8.679 8.679 7.675 1.004 18716 9764 1 16 . 1 1 103 103 LYS N N 103 120.165 120.165 120.150 0.015 18716 9765 1 16 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.188 -0.024 18716 9766 1 16 . 1 1 103 103 LYS CA C 103 58.364 58.364 58.383 -0.020 18716 9767 1 16 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.423 -0.891 18716 9768 1 16 . 1 1 103 103 LYS H H 103 8.207 8.207 8.282 -0.075 18716 9769 1 16 . 1 1 104 104 ILE N N 104 119.852 119.852 119.272 0.580 18716 9770 1 16 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.751 0.059 18716 9771 1 16 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.429 0.179 18716 9772 1 16 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.108 -0.674 18716 9773 1 16 . 1 1 104 104 ILE H H 104 8.163 8.163 7.855 0.308 18716 9774 1 16 . 1 1 105 105 GLU N N 105 121.415 121.415 119.043 2.372 18716 9775 1 16 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.031 0.004 18716 9776 1 16 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.153 0.481 18716 9777 1 16 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.664 3.092 18716 9778 1 16 . 1 1 105 105 GLU H H 105 8.001 8.001 7.543 0.458 18716 9779 1 16 . 1 1 106 106 GLU N N 106 119.228 119.228 119.804 -0.576 18716 9780 1 16 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.110 -0.020 18716 9781 1 16 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.295 -0.029 18716 9782 1 16 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.658 -0.061 18716 9783 1 16 . 1 1 106 106 GLU H H 106 8.031 8.031 7.606 0.425 18716 9784 1 16 . 1 1 107 107 GLU N N 107 118.915 118.915 118.395 0.520 18716 9785 1 16 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.149 -0.076 18716 9786 1 16 . 1 1 107 107 GLU CA C 107 59.341 59.341 58.875 0.466 18716 9787 1 16 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.783 0.087 18716 9788 1 16 . 1 1 107 107 GLU H H 107 8.016 8.016 7.745 0.271 18716 9789 1 16 . 1 1 108 108 GLN N N 108 118.290 118.290 117.557 0.733 18716 9790 1 16 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.248 -0.101 18716 9791 1 16 . 1 1 108 108 GLN CA C 108 58.407 58.407 57.582 0.825 18716 9792 1 16 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.794 0.051 18716 9793 1 16 . 1 1 108 108 GLN H H 108 8.252 8.252 7.705 0.547 18716 9794 1 16 . 1 1 109 109 ASN N N 109 118.290 118.290 120.413 -2.123 18716 9795 1 16 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.427 0.190 18716 9796 1 16 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.719 -1.837 18716 9797 1 16 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.524 0.001 18716 9798 1 16 . 1 1 109 109 ASN H H 109 8.252 8.252 8.260 -0.008 18716 9799 1 16 . 1 1 110 110 LYS N N 110 120.478 120.478 118.266 2.212 18716 9800 1 16 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.073 0.157 18716 9801 1 16 . 1 1 110 110 LYS CA C 110 58.311 58.311 58.655 -0.344 18716 9802 1 16 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.500 0.191 18716 9803 1 16 . 1 1 110 110 LYS H H 110 8.031 8.031 7.518 0.513 18716 9804 1 16 . 1 1 111 111 SER N N 111 114.540 114.540 112.064 2.476 18716 9805 1 16 . 1 1 111 111 SER HA H 111 4.368 4.368 4.552 -0.184 18716 9806 1 16 . 1 1 111 111 SER CA C 111 59.764 59.764 58.343 1.421 18716 9807 1 16 . 1 1 111 111 SER CB C 111 63.442 63.442 62.574 0.868 18716 9808 1 16 . 1 1 111 111 SER H H 111 8.031 8.031 7.685 0.346 18716 9809 1 16 . 1 1 112 112 LYS N N 112 122.040 122.040 122.734 -0.694 18716 9810 1 16 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.346 -0.101 18716 9811 1 16 . 1 1 112 112 LYS CA C 112 57.329 57.329 57.953 -0.624 18716 9812 1 16 . 1 1 112 112 LYS CB C 112 32.775 32.775 33.498 -0.723 18716 9813 1 16 . 1 1 112 112 LYS H H 112 7.957 7.957 7.920 0.037 18716 9814 1 16 . 1 1 113 113 LYS N N 113 120.790 120.790 120.076 0.714 18716 9815 1 16 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.136 0.014 18716 9816 1 16 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.669 0.465 18716 9817 1 16 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.726 0.040 18716 9818 1 16 . 1 1 113 113 LYS H H 113 8.016 8.016 7.752 0.264 18716 9819 1 16 . 1 1 114 114 LYS N N 114 121.728 121.728 117.577 4.151 18716 9820 1 16 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.373 -0.110 18716 9821 1 16 . 1 1 114 114 LYS CA C 114 57.185 57.185 56.256 0.929 18716 9822 1 16 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.057 0.800 18716 9823 1 16 . 1 1 114 114 LYS H H 114 8.119 8.119 8.056 0.063 18716 9824 1 16 . 1 1 115 115 ALA N N 115 124.228 124.228 121.878 2.350 18716 9825 1 16 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.608 -0.340 18716 9826 1 16 . 1 1 115 115 ALA CA C 115 53.035 53.035 52.001 1.034 18716 9827 1 16 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.552 -0.514 18716 9828 1 16 . 1 1 115 115 ALA H H 115 8.178 8.178 7.463 0.716 18716 9829 1 16 . 1 1 116 116 GLN N N 116 119.228 119.228 117.647 1.581 18716 9830 1 16 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.492 -0.244 18716 9831 1 16 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.706 0.843 18716 9832 1 16 . 1 1 116 116 GLN H H 116 8.237 8.237 8.108 0.129 18716 9833 1 16 . 1 1 117 117 GLN N N 117 120.478 120.478 120.010 0.468 18716 9834 1 16 . 1 1 117 117 GLN HA H 117 4.269 4.269 3.970 0.299 18716 9835 1 16 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.293 -1.969 18716 9836 1 16 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.229 1.377 18716 9837 1 16 . 1 1 117 117 GLN H H 117 8.266 8.266 8.850 -0.584 18716 9838 1 16 . 1 1 118 118 ALA N N 118 124.852 124.852 123.008 1.844 18716 9839 1 16 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.144 0.132 18716 9840 1 16 . 1 1 118 118 ALA CA C 118 52.837 52.837 54.819 -1.982 18716 9841 1 16 . 1 1 118 118 ALA CB C 118 19.062 19.062 17.910 1.152 18716 9842 1 16 . 1 1 118 118 ALA H H 118 8.266 8.266 8.376 -0.110 18716 9843 1 16 . 1 1 119 119 ALA N N 119 122.978 122.978 122.237 0.741 18716 9844 1 16 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.087 0.207 18716 9845 1 16 . 1 1 119 119 ALA CA C 119 52.637 52.637 54.528 -1.891 18716 9846 1 16 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.204 0.997 18716 9847 1 16 . 1 1 119 119 ALA H H 119 8.163 8.163 8.252 -0.089 18716 9848 1 16 . 1 1 120 120 ALA N N 120 122.665 122.665 119.060 3.605 18716 9849 1 16 . 1 1 120 120 ALA HA H 120 4.277 4.277 3.969 0.308 18716 9850 1 16 . 1 1 120 120 ALA CA C 120 52.736 52.736 54.874 -2.138 18716 9851 1 16 . 1 1 120 120 ALA CB C 120 19.167 19.167 18.835 0.332 18716 9852 1 16 . 1 1 120 120 ALA H H 120 8.163 8.163 7.889 0.274 18716 9853 1 16 . 1 1 121 121 ASP N N 121 119.228 119.228 115.983 3.245 18716 9854 1 16 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.566 0.116 18716 9855 1 16 . 1 1 121 121 ASP CA C 121 54.264 54.264 55.343 -1.079 18716 9856 1 16 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.396 -0.268 18716 9857 1 16 . 1 1 121 121 ASP H H 121 8.252 8.252 7.766 0.486 18716 9858 1 16 . 1 1 122 122 THR N N 122 113.602 113.602 113.401 0.201 18716 9859 1 16 . 1 1 122 122 THR HA H 122 4.358 4.358 4.093 0.265 18716 9860 1 16 . 1 1 122 122 THR CA C 122 61.971 61.971 62.580 -0.608 18716 9861 1 16 . 1 1 122 122 THR CB C 122 69.586 69.586 68.865 0.721 18716 9862 1 16 . 1 1 122 122 THR H H 122 8.075 8.075 7.732 0.343 18716 9863 1 16 . 1 1 123 123 GLY N N 123 110.478 110.478 109.406 1.072 18716 9864 1 16 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.422 0.181 18716 9865 1 16 . 1 1 123 123 GLY H H 123 8.414 8.414 8.524 -0.110 18716 9866 1 16 . 1 1 124 124 ASN N N 124 118.602 118.602 118.820 -0.218 18716 9867 1 16 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.927 -0.319 18716 9868 1 16 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.157 2.576 18716 9869 1 16 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.574 -1.036 18716 9870 1 16 . 1 1 124 124 ASN H H 124 8.266 8.266 8.399 -0.133 18716 9871 1 16 . 1 1 125 125 ASN N N 125 119.228 119.228 118.932 0.296 18716 9872 1 16 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.555 0.169 18716 9873 1 16 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.755 -0.303 18716 9874 1 16 . 1 1 125 125 ASN CB C 125 38.813 38.813 38.770 0.043 18716 9875 1 16 . 1 1 125 125 ASN H H 125 8.443 8.443 8.427 0.016 18716 9876 1 16 . 1 1 126 126 SER N N 126 115.790 115.790 115.883 -0.093 18716 9877 1 16 . 1 1 126 126 SER HA H 126 4.388 4.388 4.448 -0.060 18716 9878 1 16 . 1 1 126 126 SER CA C 126 58.851 58.851 57.704 1.147 18716 9879 1 16 . 1 1 126 126 SER CB C 126 63.926 63.926 64.704 -0.777 18716 9880 1 16 . 1 1 126 126 SER H H 126 8.266 8.266 8.284 -0.018 18716 9881 1 16 . 1 1 127 127 GLN N N 127 121.728 121.728 125.847 -4.119 18716 9882 1 16 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.455 -0.132 18716 9883 1 16 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.524 0.699 18716 9884 1 16 . 1 1 127 127 GLN CB C 127 29.168 29.168 28.526 0.642 18716 9885 1 16 . 1 1 127 127 GLN H H 127 8.355 8.355 8.529 -0.174 18716 9886 1 16 . 1 1 128 128 VAL N N 128 119.852 119.852 120.798 -0.946 18716 9887 1 16 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.560 -0.451 18716 9888 1 16 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.787 0.878 18716 9889 1 16 . 1 1 128 128 VAL CB C 128 32.769 32.769 33.064 -0.295 18716 9890 1 16 . 1 1 128 128 VAL H H 128 7.986 7.986 8.066 -0.080 18716 9891 1 16 . 1 1 129 129 SER N N 129 117.978 117.978 119.526 -1.548 18716 9892 1 16 . 1 1 129 129 SER HA H 129 4.136 4.136 4.750 -0.614 18716 9893 1 16 . 1 1 129 129 SER CA C 129 58.404 58.404 57.605 0.799 18716 9894 1 16 . 1 1 129 129 SER CB C 129 63.755 63.755 64.398 -0.643 18716 9895 1 16 . 1 1 129 129 SER H H 129 8.252 8.252 8.347 -0.095 18716 9896 1 16 . 1 1 130 130 GLN N N 130 121.728 121.728 121.712 0.016 18716 9897 1 16 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.731 -0.376 18716 9898 1 16 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.670 0.480 18716 9899 1 16 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.956 -0.583 18716 9900 1 16 . 1 1 130 130 GLN H H 130 8.355 8.355 8.564 -0.209 18716 9901 1 16 . 1 1 131 131 ASN N N 131 118.290 118.290 117.240 1.050 18716 9902 1 16 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.903 -0.271 18716 9903 1 16 . 1 1 131 131 ASN CA C 131 53.568 53.568 52.956 0.612 18716 9904 1 16 . 1 1 131 131 ASN H H 131 8.252 8.252 8.832 -0.580 18716 9905 1 17 . 1 1 3 3 ALA N N 3 123.842 123.842 124.088 -0.246 18716 9906 1 17 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.219 0.109 18716 9907 1 17 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.293 0.244 18716 9908 1 17 . 1 1 3 3 ALA CB C 3 17.251 17.251 18.427 -1.176 18716 9909 1 17 . 1 1 3 3 ALA H H 3 8.183 8.183 7.976 0.207 18716 9910 1 17 . 1 1 4 4 ARG N N 4 120.165 120.165 121.901 -1.736 18716 9911 1 17 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.552 -0.296 18716 9912 1 17 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.387 0.578 18716 9913 1 17 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.712 -0.751 18716 9914 1 17 . 1 1 4 4 ARG H H 4 8.429 8.429 8.296 0.133 18716 9915 1 17 . 1 1 5 5 ALA N N 5 125.165 125.165 125.325 -0.160 18716 9916 1 17 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.688 -0.406 18716 9917 1 17 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.297 1.074 18716 9918 1 17 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.299 0.373 18716 9919 1 17 . 1 1 5 5 ALA H H 5 8.370 8.370 8.309 0.061 18716 9920 1 17 . 1 1 6 6 SER N N 6 114.540 114.540 119.058 -4.518 18716 9921 1 17 . 1 1 6 6 SER HA H 6 4.479 4.479 4.418 0.061 18716 9922 1 17 . 1 1 6 6 SER CA C 6 57.804 57.804 58.280 -0.476 18716 9923 1 17 . 1 1 6 6 SER CB C 6 64.034 64.034 63.988 0.046 18716 9924 1 17 . 1 1 6 6 SER H H 6 8.134 8.134 8.358 -0.224 18716 9925 1 17 . 1 1 7 7 VAL N N 7 121.415 121.415 119.288 2.127 18716 9926 1 17 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.144 -0.527 18716 9927 1 17 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.183 2.528 18716 9928 1 17 . 1 1 7 7 VAL CB C 7 31.936 31.936 31.918 0.018 18716 9929 1 17 . 1 1 7 7 VAL H H 7 8.119 8.119 8.114 0.005 18716 9930 1 17 . 1 1 8 8 LEU N N 8 115.478 115.478 120.808 -5.330 18716 9931 1 17 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.760 0.154 18716 9932 1 17 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.565 -1.090 18716 9933 1 17 . 1 1 8 8 LEU CB C 8 44.314 44.314 42.408 1.905 18716 9934 1 17 . 1 1 8 8 LEU H H 8 7.382 7.382 7.641 -0.259 18716 9935 1 17 . 1 1 9 9 SER N N 9 118.290 118.290 119.960 -1.670 18716 9936 1 17 . 1 1 9 9 SER HA H 9 4.606 4.606 4.455 0.151 18716 9937 1 17 . 1 1 9 9 SER CA C 9 57.197 57.197 57.850 -0.653 18716 9938 1 17 . 1 1 9 9 SER CB C 9 65.426 65.426 65.366 0.060 18716 9939 1 17 . 1 1 9 9 SER H H 9 9.166 9.166 8.978 0.188 18716 9940 1 17 . 1 1 10 10 GLY N N 10 109.228 109.228 108.573 0.655 18716 9941 1 17 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.883 0.791 18716 9942 1 17 . 1 1 10 10 GLY H H 10 8.959 8.959 8.704 0.255 18716 9943 1 17 . 1 1 11 11 GLY N N 11 111.102 111.102 109.865 1.237 18716 9944 1 17 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.468 0.193 18716 9945 1 17 . 1 1 11 11 GLY H H 11 8.782 8.782 7.825 0.957 18716 9946 1 17 . 1 1 12 12 GLU N N 12 120.165 120.165 122.063 -1.898 18716 9947 1 17 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.079 -0.129 18716 9948 1 17 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.502 0.594 18716 9949 1 17 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.517 1.773 18716 9950 1 17 . 1 1 12 12 GLU H H 12 7.751 7.751 7.581 0.170 18716 9951 1 17 . 1 1 13 13 LEU N N 13 121.415 121.415 121.914 -0.499 18716 9952 1 17 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.032 0.076 18716 9953 1 17 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.405 -0.343 18716 9954 1 17 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.828 -0.892 18716 9955 1 17 . 1 1 13 13 LEU H H 13 8.340 8.340 8.337 0.003 18716 9956 1 17 . 1 1 14 14 ASP N N 14 116.415 116.415 118.966 -2.551 18716 9957 1 17 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.289 0.104 18716 9958 1 17 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.708 -0.572 18716 9959 1 17 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.714 0.372 18716 9960 1 17 . 1 1 14 14 ASP H H 14 7.574 7.574 7.842 -0.268 18716 9961 1 17 . 1 1 15 15 LYS N N 15 115.478 115.478 120.267 -4.789 18716 9962 1 17 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.133 -0.087 18716 9963 1 17 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.255 -0.853 18716 9964 1 17 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.453 -0.094 18716 9965 1 17 . 1 1 15 15 LYS H H 15 7.117 7.117 7.495 -0.378 18716 9966 1 17 . 1 1 16 16 TRP N N 16 121.693 121.693 121.097 0.596 18716 9967 1 17 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.153 -0.128 18716 9968 1 17 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.875 -0.589 18716 9969 1 17 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.542 1.571 18716 9970 1 17 . 1 1 16 16 TRP H H 16 8.646 8.646 8.376 0.270 18716 9971 1 17 . 1 1 17 17 GLU N N 17 127.710 127.710 116.319 11.391 18716 9972 1 17 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.367 0.324 18716 9973 1 17 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.799 -2.030 18716 9974 1 17 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.457 0.288 18716 9975 1 17 . 1 1 17 17 GLU H H 17 7.571 7.571 8.136 -0.565 18716 9976 1 17 . 1 1 18 18 LYS N N 18 115.790 115.790 118.876 -3.086 18716 9977 1 17 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.165 0.332 18716 9978 1 17 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.303 -1.734 18716 9979 1 17 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.086 0.853 18716 9980 1 17 . 1 1 18 18 LYS H H 18 7.456 7.456 7.315 0.141 18716 9981 1 17 . 1 1 19 19 ILE N N 19 124.228 124.228 120.684 3.544 18716 9982 1 17 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.970 -0.413 18716 9983 1 17 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.667 -0.547 18716 9984 1 17 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.711 0.471 18716 9985 1 17 . 1 1 19 19 ILE H H 19 7.633 7.633 8.102 -0.469 18716 9986 1 17 . 1 1 20 20 ARG N N 20 125.790 125.790 124.006 1.784 18716 9987 1 17 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.472 -0.044 18716 9988 1 17 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.078 1.417 18716 9989 1 17 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.710 -0.173 18716 9990 1 17 . 1 1 20 20 ARG H H 20 8.031 8.031 8.579 -0.548 18716 9991 1 17 . 1 1 21 21 LEU N N 21 120.165 120.165 121.268 -1.103 18716 9992 1 17 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.861 -0.430 18716 9993 1 17 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.468 0.767 18716 9994 1 17 . 1 1 21 21 LEU CB C 21 41.554 41.554 41.963 -0.409 18716 9995 1 17 . 1 1 21 21 LEU H H 21 7.810 7.810 7.723 0.087 18716 9996 1 17 . 1 1 22 22 ARG N N 22 119.540 119.540 115.805 3.735 18716 9997 1 17 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.573 0.272 18716 9998 1 17 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.520 -0.676 18716 9999 1 17 . 1 1 22 22 ARG CB C 22 31.617 31.617 30.998 0.619 18716 10000 1 17 . 1 1 22 22 ARG H H 22 8.974 8.974 7.692 1.282 18716 10001 1 17 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.681 -0.321 18716 10002 1 17 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.067 -0.631 18716 10003 1 17 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.478 -0.913 18716 10004 1 17 . 1 1 24 24 GLY N N 24 112.665 112.665 106.874 5.791 18716 10005 1 17 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.707 1.098 18716 10006 1 17 . 1 1 24 24 GLY H H 24 9.138 9.138 7.882 1.256 18716 10007 1 17 . 1 1 25 25 GLY N N 25 107.978 107.978 108.685 -0.707 18716 10008 1 17 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.663 -0.091 18716 10009 1 17 . 1 1 25 25 GLY H H 25 8.134 8.134 7.686 0.448 18716 10010 1 17 . 1 1 26 26 LYS N N 26 117.665 117.665 120.071 -2.406 18716 10011 1 17 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.408 -0.144 18716 10012 1 17 . 1 1 26 26 LYS CA C 26 56.853 56.853 55.923 0.930 18716 10013 1 17 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.462 1.594 18716 10014 1 17 . 1 1 26 26 LYS H H 26 8.665 8.665 8.492 0.173 18716 10015 1 17 . 1 1 27 27 LYS N N 27 117.925 117.925 119.677 -1.752 18716 10016 1 17 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.590 -0.279 18716 10017 1 17 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.222 1.989 18716 10018 1 17 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.617 -0.740 18716 10019 1 17 . 1 1 27 27 LYS H H 27 7.817 7.817 7.810 0.007 18716 10020 1 17 . 1 1 28 28 GLN N N 28 122.978 122.978 120.880 2.098 18716 10021 1 17 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.377 0.439 18716 10022 1 17 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.222 -0.749 18716 10023 1 17 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.108 3.946 18716 10024 1 17 . 1 1 28 28 GLN H H 28 8.458 8.458 8.375 0.083 18716 10025 1 17 . 1 1 29 29 TYR N N 29 119.540 119.540 118.980 0.560 18716 10026 1 17 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.366 -0.634 18716 10027 1 17 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.850 1.160 18716 10028 1 17 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.039 -1.823 18716 10029 1 17 . 1 1 29 29 TYR H H 29 7.824 7.824 8.431 -0.607 18716 10030 1 17 . 1 1 30 30 LYS N N 30 117.978 117.978 119.989 -2.011 18716 10031 1 17 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.950 0.266 18716 10032 1 17 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.269 -0.204 18716 10033 1 17 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.569 2.018 18716 10034 1 17 . 1 1 30 30 LYS H H 30 10.610 10.610 9.296 1.314 18716 10035 1 17 . 1 1 31 31 LEU N N 31 128.602 128.602 124.005 4.597 18716 10036 1 17 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.094 0.087 18716 10037 1 17 . 1 1 31 31 LEU CA C 31 59.234 59.234 59.087 0.147 18716 10038 1 17 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.911 -0.909 18716 10039 1 17 . 1 1 31 31 LEU H H 31 9.991 9.991 9.049 0.942 18716 10040 1 17 . 1 1 32 32 LYS N N 32 115.165 115.165 118.895 -3.730 18716 10041 1 17 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.985 0.160 18716 10042 1 17 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.361 -0.264 18716 10043 1 17 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.590 -0.031 18716 10044 1 17 . 1 1 32 32 LYS H H 32 8.399 8.399 8.631 -0.232 18716 10045 1 17 . 1 1 33 33 HIS N N 33 119.540 119.540 117.101 2.439 18716 10046 1 17 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.691 -0.087 18716 10047 1 17 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.536 3.355 18716 10048 1 17 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.575 2.209 18716 10049 1 17 . 1 1 33 33 HIS H H 33 8.193 8.193 8.047 0.146 18716 10050 1 17 . 1 1 34 34 ILE N N 34 119.540 119.540 120.806 -1.266 18716 10051 1 17 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.899 -0.105 18716 10052 1 17 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.826 -0.978 18716 10053 1 17 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.673 -0.694 18716 10054 1 17 . 1 1 34 34 ILE H H 34 7.898 7.898 7.573 0.325 18716 10055 1 17 . 1 1 35 35 VAL N N 35 122.040 122.040 119.104 2.936 18716 10056 1 17 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.830 -0.218 18716 10057 1 17 . 1 1 35 35 VAL CA C 35 66.746 66.746 65.160 1.586 18716 10058 1 17 . 1 1 35 35 VAL CB C 35 32.142 32.142 30.954 1.188 18716 10059 1 17 . 1 1 35 35 VAL H H 35 7.706 7.706 8.503 -0.797 18716 10060 1 17 . 1 1 36 36 TRP N N 36 119.986 119.986 122.625 -2.639 18716 10061 1 17 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.205 0.028 18716 10062 1 17 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.330 -0.220 18716 10063 1 17 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.173 -0.761 18716 10064 1 17 . 1 1 36 36 TRP H H 36 8.452 8.452 7.702 0.750 18716 10065 1 17 . 1 1 37 37 ALA N N 37 120.478 120.478 120.608 -0.130 18716 10066 1 17 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.575 -0.183 18716 10067 1 17 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.254 -0.117 18716 10068 1 17 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.155 -0.725 18716 10069 1 17 . 1 1 37 37 ALA H H 37 8.311 8.311 8.224 0.087 18716 10070 1 17 . 1 1 38 38 SER N N 38 111.415 111.415 113.814 -2.399 18716 10071 1 17 . 1 1 38 38 SER HA H 38 3.906 3.906 4.031 -0.125 18716 10072 1 17 . 1 1 38 38 SER CA C 38 62.801 62.801 62.284 0.517 18716 10073 1 17 . 1 1 38 38 SER CB C 38 62.829 62.829 63.077 -0.248 18716 10074 1 17 . 1 1 38 38 SER H H 38 8.259 8.259 7.838 0.420 18716 10075 1 17 . 1 1 39 39 ARG N N 39 119.852 119.852 121.400 -1.548 18716 10076 1 17 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.939 0.207 18716 10077 1 17 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.151 -0.741 18716 10078 1 17 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.050 -0.042 18716 10079 1 17 . 1 1 39 39 ARG H H 39 7.559 7.559 7.532 0.027 18716 10080 1 17 . 1 1 40 40 GLU N N 40 121.102 121.102 119.133 1.969 18716 10081 1 17 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.737 0.050 18716 10082 1 17 . 1 1 40 40 GLU CA C 40 58.281 58.281 59.273 -0.992 18716 10083 1 17 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.993 0.681 18716 10084 1 17 . 1 1 40 40 GLU H H 40 8.222 8.222 7.373 0.849 18716 10085 1 17 . 1 1 41 41 LEU N N 41 117.040 117.040 119.926 -2.886 18716 10086 1 17 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.055 -0.095 18716 10087 1 17 . 1 1 41 41 LEU CA C 41 58.297 58.297 58.093 0.204 18716 10088 1 17 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.014 -1.834 18716 10089 1 17 . 1 1 41 41 LEU H H 41 8.016 8.016 8.244 -0.228 18716 10090 1 17 . 1 1 42 42 GLU N N 42 117.352 117.352 118.890 -1.538 18716 10091 1 17 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.072 0.055 18716 10092 1 17 . 1 1 42 42 GLU CA C 42 59.571 59.571 58.992 0.578 18716 10093 1 17 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.288 0.377 18716 10094 1 17 . 1 1 42 42 GLU H H 42 7.559 7.559 7.777 -0.218 18716 10095 1 17 . 1 1 43 43 ARG N N 43 119.540 119.540 118.792 0.748 18716 10096 1 17 . 1 1 43 43 ARG HA H 43 4.027 4.027 3.989 0.038 18716 10097 1 17 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.337 0.264 18716 10098 1 17 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.151 -0.486 18716 10099 1 17 . 1 1 43 43 ARG H H 43 7.647 7.647 7.267 0.380 18716 10100 1 17 . 1 1 44 44 PHE N N 44 117.665 117.665 118.052 -0.387 18716 10101 1 17 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.623 -0.007 18716 10102 1 17 . 1 1 44 44 PHE CA C 44 57.425 57.425 57.106 0.319 18716 10103 1 17 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.203 0.951 18716 10104 1 17 . 1 1 44 44 PHE H H 44 7.529 7.529 7.656 -0.127 18716 10105 1 17 . 1 1 45 45 ALA N N 45 118.915 118.915 119.569 -0.654 18716 10106 1 17 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.959 0.056 18716 10107 1 17 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.208 0.206 18716 10108 1 17 . 1 1 45 45 ALA CB C 45 16.281 16.281 17.106 -0.825 18716 10109 1 17 . 1 1 45 45 ALA H H 45 7.928 7.928 7.636 0.292 18716 10110 1 17 . 1 1 46 46 VAL N N 46 119.540 119.540 119.254 0.286 18716 10111 1 17 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.214 -0.119 18716 10112 1 17 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.157 0.632 18716 10113 1 17 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.147 0.273 18716 10114 1 17 . 1 1 46 46 VAL H H 46 7.765 7.765 7.662 0.103 18716 10115 1 17 . 1 1 47 47 ASN N N 47 125.790 125.790 126.915 -1.125 18716 10116 1 17 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.746 -0.100 18716 10117 1 17 . 1 1 47 47 ASN CA C 47 50.997 50.997 53.019 -2.022 18716 10118 1 17 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.511 0.575 18716 10119 1 17 . 1 1 47 47 ASN H H 47 8.399 8.399 8.794 -0.395 18716 10120 1 17 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.389 -0.167 18716 10121 1 17 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.205 0.109 18716 10122 1 17 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.997 -0.257 18716 10123 1 17 . 1 1 49 49 GLY N N 49 108.290 108.290 106.855 1.435 18716 10124 1 17 . 1 1 49 49 GLY CA C 49 46.530 46.530 45.089 1.441 18716 10125 1 17 . 1 1 49 49 GLY H H 49 8.620 8.620 8.196 0.424 18716 10126 1 17 . 1 1 50 50 LEU N N 50 121.728 121.728 119.655 2.073 18716 10127 1 17 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.559 -0.422 18716 10128 1 17 . 1 1 50 50 LEU CA C 50 57.299 57.299 54.108 3.191 18716 10129 1 17 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.306 0.257 18716 10130 1 17 . 1 1 50 50 LEU H H 50 7.765 7.765 7.270 0.495 18716 10131 1 17 . 1 1 51 51 LEU N N 51 112.040 112.040 116.527 -4.487 18716 10132 1 17 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.541 -0.315 18716 10133 1 17 . 1 1 51 51 LEU CA C 51 56.507 56.507 55.547 0.960 18716 10134 1 17 . 1 1 51 51 LEU CB C 51 42.490 42.490 43.529 -1.039 18716 10135 1 17 . 1 1 51 51 LEU H H 51 7.412 7.412 7.378 0.034 18716 10136 1 17 . 1 1 52 52 GLU N N 52 114.540 114.540 118.165 -3.625 18716 10137 1 17 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.190 -0.135 18716 10138 1 17 . 1 1 52 52 GLU CA C 52 58.384 58.384 57.327 1.057 18716 10139 1 17 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.355 1.702 18716 10140 1 17 . 1 1 52 52 GLU H H 52 7.500 7.500 8.574 -1.074 18716 10141 1 17 . 1 1 53 53 THR N N 53 122.978 122.978 108.827 14.151 18716 10142 1 17 . 1 1 53 53 THR HA H 53 4.402 4.402 4.351 0.051 18716 10143 1 17 . 1 1 53 53 THR CA C 53 58.306 58.306 59.545 -1.239 18716 10144 1 17 . 1 1 53 53 THR CB C 53 73.222 73.222 71.990 1.232 18716 10145 1 17 . 1 1 53 53 THR H H 53 7.235 7.235 7.295 -0.060 18716 10146 1 17 . 1 1 54 54 SER N N 54 119.228 119.228 121.041 -1.813 18716 10147 1 17 . 1 1 54 54 SER HA H 54 4.043 4.043 4.142 -0.099 18716 10148 1 17 . 1 1 54 54 SER CA C 54 62.657 62.657 61.383 1.274 18716 10149 1 17 . 1 1 54 54 SER CB C 54 62.562 62.562 62.940 -0.378 18716 10150 1 17 . 1 1 54 54 SER H H 54 9.313 9.313 8.974 0.339 18716 10151 1 17 . 1 1 55 55 GLU N N 55 121.233 121.233 121.579 -0.346 18716 10152 1 17 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.288 -0.219 18716 10153 1 17 . 1 1 55 55 GLU CA C 55 59.675 59.675 59.490 0.185 18716 10154 1 17 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.341 -0.342 18716 10155 1 17 . 1 1 55 55 GLU H H 55 8.975 8.975 8.556 0.419 18716 10156 1 17 . 1 1 56 56 GLY N N 56 110.790 110.790 108.258 2.532 18716 10157 1 17 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.225 0.641 18716 10158 1 17 . 1 1 56 56 GLY H H 56 8.517 8.517 8.204 0.313 18716 10159 1 17 . 1 1 57 57 CYS N N 57 118.602 118.602 119.178 -0.576 18716 10160 1 17 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.137 -0.113 18716 10161 1 17 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.477 1.125 18716 10162 1 17 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.560 20.235 18716 10163 1 17 . 1 1 57 57 CYS H H 57 8.134 8.134 7.971 0.163 18716 10164 1 17 . 1 1 58 58 ARG N N 58 119.540 119.540 120.604 -1.064 18716 10165 1 17 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.709 -0.159 18716 10166 1 17 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.857 -0.150 18716 10167 1 17 . 1 1 58 58 ARG CB C 58 29.449 29.449 30.004 -0.555 18716 10168 1 17 . 1 1 58 58 ARG H H 58 8.488 8.488 7.719 0.769 18716 10169 1 17 . 1 1 59 59 GLN N N 59 119.852 119.852 117.979 1.873 18716 10170 1 17 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.063 -0.011 18716 10171 1 17 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.833 0.567 18716 10172 1 17 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.544 -0.310 18716 10173 1 17 . 1 1 59 59 GLN H H 59 8.016 8.016 7.658 0.358 18716 10174 1 17 . 1 1 60 60 ILE N N 60 120.790 120.790 120.322 0.468 18716 10175 1 17 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.771 -0.159 18716 10176 1 17 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.121 0.531 18716 10177 1 17 . 1 1 60 60 ILE CB C 60 37.850 37.850 38.187 -0.337 18716 10178 1 17 . 1 1 60 60 ILE H H 60 8.163 8.163 7.352 0.811 18716 10179 1 17 . 1 1 61 61 LEU N N 61 118.915 118.915 119.444 -0.529 18716 10180 1 17 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.192 -0.297 18716 10181 1 17 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.680 0.974 18716 10182 1 17 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.222 -0.446 18716 10183 1 17 . 1 1 61 61 LEU H H 61 8.370 8.370 8.429 -0.059 18716 10184 1 17 . 1 1 62 62 GLY N N 62 104.332 104.332 107.358 -3.026 18716 10185 1 17 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.756 0.428 18716 10186 1 17 . 1 1 62 62 GLY H H 62 7.883 7.883 8.245 -0.362 18716 10187 1 17 . 1 1 63 63 GLN N N 63 119.852 119.852 119.145 0.707 18716 10188 1 17 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.282 -0.134 18716 10189 1 17 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.613 0.260 18716 10190 1 17 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.139 -0.024 18716 10191 1 17 . 1 1 63 63 GLN H H 63 7.795 7.795 7.579 0.216 18716 10192 1 17 . 1 1 64 64 LEU N N 64 117.040 117.040 119.600 -2.560 18716 10193 1 17 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.128 0.130 18716 10194 1 17 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.626 -0.443 18716 10195 1 17 . 1 1 64 64 LEU CB C 64 44.198 44.198 42.032 2.167 18716 10196 1 17 . 1 1 64 64 LEU H H 64 8.252 8.252 7.520 0.732 18716 10197 1 17 . 1 1 65 65 GLN N N 65 118.915 118.915 119.786 -0.871 18716 10198 1 17 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.810 -0.031 18716 10199 1 17 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.772 0.775 18716 10200 1 17 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.484 -0.620 18716 10201 1 17 . 1 1 65 65 GLN H H 65 8.104 8.104 8.227 -0.123 18716 10202 1 17 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.342 0.041 18716 10203 1 17 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.947 0.970 18716 10204 1 17 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.146 -0.047 18716 10205 1 17 . 1 1 67 67 SER N N 67 111.415 111.415 113.936 -2.521 18716 10206 1 17 . 1 1 67 67 SER HA H 67 4.493 4.493 4.325 0.168 18716 10207 1 17 . 1 1 67 67 SER CA C 67 59.696 59.696 59.910 -0.214 18716 10208 1 17 . 1 1 67 67 SER CB C 67 64.031 64.031 63.019 1.012 18716 10209 1 17 . 1 1 67 67 SER H H 67 7.824 7.824 7.553 0.271 18716 10210 1 17 . 1 1 68 68 LEU N N 68 121.102 121.102 121.411 -0.309 18716 10211 1 17 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.815 0.001 18716 10212 1 17 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.717 0.231 18716 10213 1 17 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.445 0.324 18716 10214 1 17 . 1 1 68 68 LEU H H 68 7.647 7.647 7.876 -0.229 18716 10215 1 17 . 1 1 69 69 GLN N N 69 116.415 116.415 119.294 -2.879 18716 10216 1 17 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.063 0.006 18716 10217 1 17 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.318 0.152 18716 10218 1 17 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.875 -0.447 18716 10219 1 17 . 1 1 69 69 GLN H H 69 8.060 8.060 8.227 -0.167 18716 10220 1 17 . 1 1 70 70 THR N N 70 106.728 106.728 112.504 -5.776 18716 10221 1 17 . 1 1 70 70 THR HA H 70 4.481 4.481 4.545 -0.064 18716 10222 1 17 . 1 1 70 70 THR CA C 70 61.291 61.291 61.404 -0.113 18716 10223 1 17 . 1 1 70 70 THR CB C 70 69.415 69.415 68.768 0.647 18716 10224 1 17 . 1 1 70 70 THR H H 70 7.515 7.515 7.728 -0.213 18716 10225 1 17 . 1 1 71 71 GLY N N 71 109.540 109.540 111.194 -1.654 18716 10226 1 17 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.431 1.122 18716 10227 1 17 . 1 1 71 71 GLY H H 71 7.692 7.692 7.586 0.106 18716 10228 1 17 . 1 1 72 72 SER N N 72 114.540 114.540 114.708 -0.168 18716 10229 1 17 . 1 1 72 72 SER HA H 72 4.625 4.625 4.673 -0.048 18716 10230 1 17 . 1 1 72 72 SER CA C 72 57.319 57.319 57.442 -0.123 18716 10231 1 17 . 1 1 72 72 SER CB C 72 64.599 64.599 66.115 -1.516 18716 10232 1 17 . 1 1 72 72 SER H H 72 8.045 8.045 8.045 -0.000 18716 10233 1 17 . 1 1 73 73 GLU N N 73 124.228 124.228 121.297 2.931 18716 10234 1 17 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.072 0.015 18716 10235 1 17 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.037 -0.657 18716 10236 1 17 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.655 -0.353 18716 10237 1 17 . 1 1 73 73 GLU H H 73 9.092 9.092 8.906 0.186 18716 10238 1 17 . 1 1 74 74 GLU N N 74 120.165 120.165 118.960 1.205 18716 10239 1 17 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.323 -0.065 18716 10240 1 17 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.153 1.153 18716 10241 1 17 . 1 1 74 74 GLU CB C 74 29.462 29.462 30.023 -0.561 18716 10242 1 17 . 1 1 74 74 GLU H H 74 8.665 8.665 7.912 0.753 18716 10243 1 17 . 1 1 75 75 LEU N N 75 121.415 121.415 120.835 0.580 18716 10244 1 17 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.189 -0.006 18716 10245 1 17 . 1 1 75 75 LEU CA C 75 57.932 57.932 57.592 0.340 18716 10246 1 17 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.071 -0.893 18716 10247 1 17 . 1 1 75 75 LEU H H 75 7.765 7.765 7.706 0.059 18716 10248 1 17 . 1 1 76 76 ARG N N 76 119.228 119.228 120.106 -0.878 18716 10249 1 17 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.990 -0.057 18716 10250 1 17 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.386 -0.704 18716 10251 1 17 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.031 -0.834 18716 10252 1 17 . 1 1 76 76 ARG H H 76 7.868 7.868 8.114 -0.246 18716 10253 1 17 . 1 1 77 77 SER N N 77 114.228 114.228 115.190 -0.962 18716 10254 1 17 . 1 1 77 77 SER HA H 77 4.263 4.263 4.199 0.064 18716 10255 1 17 . 1 1 77 77 SER CA C 77 62.668 62.668 61.899 0.769 18716 10256 1 17 . 1 1 77 77 SER CB C 77 62.849 62.849 62.983 -0.134 18716 10257 1 17 . 1 1 77 77 SER H H 77 8.576 8.576 7.967 0.609 18716 10258 1 17 . 1 1 78 78 LEU N N 78 125.790 125.790 123.858 1.932 18716 10259 1 17 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.308 0.113 18716 10260 1 17 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.323 0.639 18716 10261 1 17 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.869 0.049 18716 10262 1 17 . 1 1 78 78 LEU H H 78 8.458 8.458 7.631 0.827 18716 10263 1 17 . 1 1 79 79 TYR N N 79 119.852 119.852 119.291 0.561 18716 10264 1 17 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.057 -0.396 18716 10265 1 17 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.672 1.130 18716 10266 1 17 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.466 0.728 18716 10267 1 17 . 1 1 79 79 TYR H H 79 8.694 8.694 8.624 0.070 18716 10268 1 17 . 1 1 80 80 ASN N N 80 117.040 117.040 117.870 -0.830 18716 10269 1 17 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.544 -0.260 18716 10270 1 17 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.259 -0.472 18716 10271 1 17 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.101 -0.262 18716 10272 1 17 . 1 1 80 80 ASN H H 80 8.871 8.871 8.562 0.309 18716 10273 1 17 . 1 1 81 81 THR N N 81 115.790 115.790 119.141 -3.351 18716 10274 1 17 . 1 1 81 81 THR HA H 81 3.945 3.945 4.235 -0.290 18716 10275 1 17 . 1 1 81 81 THR CA C 81 67.855 67.855 67.166 0.689 18716 10276 1 17 . 1 1 81 81 THR CB C 81 69.140 69.140 69.035 0.105 18716 10277 1 17 . 1 1 81 81 THR H H 81 8.119 8.119 8.256 -0.137 18716 10278 1 17 . 1 1 82 82 ILE N N 82 121.102 121.102 120.761 0.341 18716 10279 1 17 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.718 -0.050 18716 10280 1 17 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.760 -1.240 18716 10281 1 17 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.455 -0.969 18716 10282 1 17 . 1 1 82 82 ILE H H 82 8.090 8.090 8.603 -0.513 18716 10283 1 17 . 1 1 83 83 ALA N N 83 125.165 125.165 122.853 2.312 18716 10284 1 17 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.841 0.050 18716 10285 1 17 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.244 0.611 18716 10286 1 17 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.846 -0.006 18716 10287 1 17 . 1 1 83 83 ALA H H 83 8.782 8.782 7.435 1.347 18716 10288 1 17 . 1 1 84 84 VAL N N 84 117.665 117.665 118.783 -1.118 18716 10289 1 17 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.600 -0.272 18716 10290 1 17 . 1 1 84 84 VAL CA C 84 67.465 67.465 67.008 0.457 18716 10291 1 17 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.107 -0.412 18716 10292 1 17 . 1 1 84 84 VAL H H 84 7.795 7.795 7.608 0.187 18716 10293 1 17 . 1 1 85 85 LEU N N 85 122.040 122.040 120.625 1.415 18716 10294 1 17 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.993 -0.178 18716 10295 1 17 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.523 -0.213 18716 10296 1 17 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.953 0.195 18716 10297 1 17 . 1 1 85 85 LEU H H 85 8.163 8.163 7.613 0.550 18716 10298 1 17 . 1 1 86 86 TYR N N 86 118.915 118.915 120.005 -1.090 18716 10299 1 17 . 1 1 86 86 TYR HA H 86 3.912 3.912 3.994 -0.082 18716 10300 1 17 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.514 1.304 18716 10301 1 17 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.263 0.024 18716 10302 1 17 . 1 1 86 86 TYR H H 86 9.062 9.062 8.557 0.505 18716 10303 1 17 . 1 1 87 87 CYS N N 87 116.102 116.102 116.471 -0.369 18716 10304 1 17 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.871 -0.077 18716 10305 1 17 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.871 1.095 18716 10306 1 17 . 1 1 87 87 CYS CB C 87 46.557 46.557 27.245 19.312 18716 10307 1 17 . 1 1 87 87 CYS H H 87 7.515 7.515 8.618 -1.103 18716 10308 1 17 . 1 1 88 88 VAL N N 88 119.978 119.978 119.754 0.224 18716 10309 1 17 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.668 0.210 18716 10310 1 17 . 1 1 88 88 VAL CA C 88 66.421 66.421 66.466 -0.045 18716 10311 1 17 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.722 -0.135 18716 10312 1 17 . 1 1 88 88 VAL H H 88 8.429 8.429 7.468 0.961 18716 10313 1 17 . 1 1 89 89 HIS N N 89 118.915 118.915 114.030 4.885 18716 10314 1 17 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.460 0.415 18716 10315 1 17 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.532 0.588 18716 10316 1 17 . 1 1 89 89 HIS CB C 89 29.083 29.083 28.973 0.110 18716 10317 1 17 . 1 1 89 89 HIS H H 89 8.797 8.797 7.176 1.621 18716 10318 1 17 . 1 1 90 90 GLN N N 90 116.728 116.728 117.397 -0.669 18716 10319 1 17 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.332 0.053 18716 10320 1 17 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.109 1.179 18716 10321 1 17 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.288 2.664 18716 10322 1 17 . 1 1 90 90 GLN H H 90 7.986 7.986 7.275 0.711 18716 10323 1 17 . 1 1 91 91 ARG N N 91 115.165 115.165 116.435 -1.270 18716 10324 1 17 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.851 0.162 18716 10325 1 17 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.497 -0.314 18716 10326 1 17 . 1 1 91 91 ARG CB C 91 26.049 26.049 28.160 -2.111 18716 10327 1 17 . 1 1 91 91 ARG H H 91 7.883 7.883 7.545 0.338 18716 10328 1 17 . 1 1 92 92 ILE N N 92 120.087 120.087 119.974 0.113 18716 10329 1 17 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.155 -0.170 18716 10330 1 17 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.947 -0.291 18716 10331 1 17 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.734 0.196 18716 10332 1 17 . 1 1 92 92 ILE H H 92 8.335 8.335 8.113 0.222 18716 10333 1 17 . 1 1 93 93 ASP N N 93 129.228 129.228 127.067 2.161 18716 10334 1 17 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.842 -0.357 18716 10335 1 17 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.957 2.086 18716 10336 1 17 . 1 1 93 93 ASP CB C 93 40.396 40.396 41.794 -1.398 18716 10337 1 17 . 1 1 93 93 ASP H H 93 8.620 8.620 8.648 -0.028 18716 10338 1 17 . 1 1 94 94 VAL N N 94 115.790 115.790 117.968 -2.178 18716 10339 1 17 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.509 0.124 18716 10340 1 17 . 1 1 94 94 VAL CA C 94 59.120 59.120 59.650 -0.530 18716 10341 1 17 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.408 1.104 18716 10342 1 17 . 1 1 94 94 VAL H H 94 7.751 7.751 8.225 -0.474 18716 10343 1 17 . 1 1 95 95 LYS N N 95 118.915 118.915 119.775 -0.860 18716 10344 1 17 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.301 0.092 18716 10345 1 17 . 1 1 95 95 LYS CA C 95 56.671 56.671 58.280 -1.609 18716 10346 1 17 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.245 0.763 18716 10347 1 17 . 1 1 95 95 LYS H H 95 9.239 9.239 8.573 0.666 18716 10348 1 17 . 1 1 96 96 ASP N N 96 112.040 112.040 112.733 -0.693 18716 10349 1 17 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.505 0.057 18716 10350 1 17 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.504 0.325 18716 10351 1 17 . 1 1 96 96 ASP CB C 96 44.604 44.604 42.922 1.682 18716 10352 1 17 . 1 1 96 96 ASP H H 96 7.412 7.412 7.700 -0.288 18716 10353 1 17 . 1 1 97 97 THR N N 97 109.540 109.540 113.717 -4.177 18716 10354 1 17 . 1 1 97 97 THR HA H 97 3.661 3.661 4.151 -0.490 18716 10355 1 17 . 1 1 97 97 THR CA C 97 65.947 65.947 65.431 0.516 18716 10356 1 17 . 1 1 97 97 THR CB C 97 70.285 70.285 68.915 1.370 18716 10357 1 17 . 1 1 97 97 THR H H 97 7.250 7.250 8.216 -0.966 18716 10358 1 17 . 1 1 98 98 LYS N N 98 121.102 121.102 122.102 -1.000 18716 10359 1 17 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.944 0.001 18716 10360 1 17 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.936 -0.308 18716 10361 1 17 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.036 -0.109 18716 10362 1 17 . 1 1 98 98 LYS H H 98 7.868 7.868 8.486 -0.618 18716 10363 1 17 . 1 1 99 99 GLU N N 99 119.228 119.228 118.690 0.538 18716 10364 1 17 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.174 -0.097 18716 10365 1 17 . 1 1 99 99 GLU CA C 99 59.795 59.795 58.993 0.802 18716 10366 1 17 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.754 0.492 18716 10367 1 17 . 1 1 99 99 GLU H H 99 8.384 8.384 8.547 -0.163 18716 10368 1 17 . 1 1 100 100 ALA N N 100 118.915 118.915 123.217 -4.302 18716 10369 1 17 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.082 0.304 18716 10370 1 17 . 1 1 100 100 ALA CA C 100 55.396 55.396 55.047 0.348 18716 10371 1 17 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.394 1.365 18716 10372 1 17 . 1 1 100 100 ALA H H 100 7.382 7.382 7.481 -0.099 18716 10373 1 17 . 1 1 101 101 LEU N N 101 117.978 117.978 118.128 -0.150 18716 10374 1 17 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.936 0.084 18716 10375 1 17 . 1 1 101 101 LEU CA C 101 57.975 57.975 58.031 -0.056 18716 10376 1 17 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.707 -0.214 18716 10377 1 17 . 1 1 101 101 LEU H H 101 8.119 8.119 7.955 0.164 18716 10378 1 17 . 1 1 102 102 ASP N N 102 120.478 120.478 119.128 1.350 18716 10379 1 17 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.423 -0.056 18716 10380 1 17 . 1 1 102 102 ASP CA C 102 57.352 57.352 58.141 -0.789 18716 10381 1 17 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.564 -0.842 18716 10382 1 17 . 1 1 102 102 ASP H H 102 8.679 8.679 7.830 0.849 18716 10383 1 17 . 1 1 103 103 LYS N N 103 120.165 120.165 120.408 -0.243 18716 10384 1 17 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.171 -0.007 18716 10385 1 17 . 1 1 103 103 LYS CA C 103 58.364 58.364 58.943 -0.579 18716 10386 1 17 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.337 -0.805 18716 10387 1 17 . 1 1 103 103 LYS H H 103 8.207 8.207 7.796 0.411 18716 10388 1 17 . 1 1 104 104 ILE N N 104 119.852 119.852 119.811 0.041 18716 10389 1 17 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.692 0.118 18716 10390 1 17 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.422 -0.814 18716 10391 1 17 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.796 -0.362 18716 10392 1 17 . 1 1 104 104 ILE H H 104 8.163 8.163 7.866 0.297 18716 10393 1 17 . 1 1 105 105 GLU N N 105 121.415 121.415 119.995 1.420 18716 10394 1 17 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.996 0.039 18716 10395 1 17 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.846 -0.212 18716 10396 1 17 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.623 3.133 18716 10397 1 17 . 1 1 105 105 GLU H H 105 8.001 8.001 8.374 -0.373 18716 10398 1 17 . 1 1 106 106 GLU N N 106 119.228 119.228 119.673 -0.445 18716 10399 1 17 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.165 -0.075 18716 10400 1 17 . 1 1 106 106 GLU CA C 106 59.267 59.267 58.973 0.294 18716 10401 1 17 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.534 0.063 18716 10402 1 17 . 1 1 106 106 GLU H H 106 8.031 8.031 7.445 0.586 18716 10403 1 17 . 1 1 107 107 GLU N N 107 118.915 118.915 119.790 -0.875 18716 10404 1 17 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.015 0.058 18716 10405 1 17 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.612 -0.271 18716 10406 1 17 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.773 0.097 18716 10407 1 17 . 1 1 107 107 GLU H H 107 8.016 8.016 8.255 -0.239 18716 10408 1 17 . 1 1 108 108 GLN N N 108 118.290 118.290 117.871 0.419 18716 10409 1 17 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.113 0.034 18716 10410 1 17 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.732 -0.325 18716 10411 1 17 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.814 0.031 18716 10412 1 17 . 1 1 108 108 GLN H H 108 8.252 8.252 7.884 0.368 18716 10413 1 17 . 1 1 109 109 ASN N N 109 118.290 118.290 118.359 -0.069 18716 10414 1 17 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.485 0.132 18716 10415 1 17 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.008 -1.126 18716 10416 1 17 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.625 -0.100 18716 10417 1 17 . 1 1 109 109 ASN H H 109 8.252 8.252 7.730 0.522 18716 10418 1 17 . 1 1 110 110 LYS N N 110 120.478 120.478 119.523 0.955 18716 10419 1 17 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.138 0.092 18716 10420 1 17 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.017 -0.706 18716 10421 1 17 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.470 0.221 18716 10422 1 17 . 1 1 110 110 LYS H H 110 8.031 8.031 7.633 0.398 18716 10423 1 17 . 1 1 111 111 SER N N 111 114.540 114.540 115.701 -1.161 18716 10424 1 17 . 1 1 111 111 SER HA H 111 4.368 4.368 4.190 0.178 18716 10425 1 17 . 1 1 111 111 SER CA C 111 59.764 59.764 61.161 -1.397 18716 10426 1 17 . 1 1 111 111 SER CB C 111 63.442 63.442 62.821 0.621 18716 10427 1 17 . 1 1 111 111 SER H H 111 8.031 8.031 7.810 0.221 18716 10428 1 17 . 1 1 112 112 LYS N N 112 122.040 122.040 120.508 1.532 18716 10429 1 17 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.122 0.123 18716 10430 1 17 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.807 -1.478 18716 10431 1 17 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.491 0.284 18716 10432 1 17 . 1 1 112 112 LYS H H 112 7.957 7.957 7.557 0.400 18716 10433 1 17 . 1 1 113 113 LYS N N 113 120.790 120.790 117.846 2.944 18716 10434 1 17 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.063 0.087 18716 10435 1 17 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.726 0.408 18716 10436 1 17 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.390 0.376 18716 10437 1 17 . 1 1 113 113 LYS H H 113 8.016 8.016 7.671 0.345 18716 10438 1 17 . 1 1 114 114 LYS N N 114 121.728 121.728 117.132 4.596 18716 10439 1 17 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.191 0.072 18716 10440 1 17 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.449 -1.264 18716 10441 1 17 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.705 0.152 18716 10442 1 17 . 1 1 114 114 LYS H H 114 8.119 8.119 7.372 0.747 18716 10443 1 17 . 1 1 115 115 ALA N N 115 124.228 124.228 121.097 3.131 18716 10444 1 17 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.122 0.146 18716 10445 1 17 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.681 -1.645 18716 10446 1 17 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.688 0.350 18716 10447 1 17 . 1 1 115 115 ALA H H 115 8.178 8.178 7.663 0.515 18716 10448 1 17 . 1 1 116 116 GLN N N 116 119.228 119.228 115.006 4.222 18716 10449 1 17 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.422 -0.174 18716 10450 1 17 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.644 0.905 18716 10451 1 17 . 1 1 116 116 GLN H H 116 8.237 8.237 7.629 0.608 18716 10452 1 17 . 1 1 117 117 GLN N N 117 120.478 120.478 119.165 1.313 18716 10453 1 17 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.363 -0.094 18716 10454 1 17 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.530 -1.206 18716 10455 1 17 . 1 1 117 117 GLN CB C 117 29.606 29.606 29.344 0.262 18716 10456 1 17 . 1 1 117 117 GLN H H 117 8.266 8.266 7.719 0.547 18716 10457 1 17 . 1 1 118 118 ALA N N 118 124.852 124.852 121.894 2.958 18716 10458 1 17 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.416 -0.140 18716 10459 1 17 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.479 -0.642 18716 10460 1 17 . 1 1 118 118 ALA CB C 118 19.062 19.062 19.174 -0.112 18716 10461 1 17 . 1 1 118 118 ALA H H 118 8.266 8.266 8.126 0.140 18716 10462 1 17 . 1 1 119 119 ALA N N 119 122.978 122.978 121.174 1.804 18716 10463 1 17 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.388 -0.094 18716 10464 1 17 . 1 1 119 119 ALA CA C 119 52.637 52.637 51.863 0.774 18716 10465 1 17 . 1 1 119 119 ALA CB C 119 19.201 19.201 17.029 2.172 18716 10466 1 17 . 1 1 119 119 ALA H H 119 8.163 8.163 8.448 -0.285 18716 10467 1 17 . 1 1 120 120 ALA N N 120 122.665 122.665 121.860 0.805 18716 10468 1 17 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.457 -0.180 18716 10469 1 17 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.718 0.018 18716 10470 1 17 . 1 1 120 120 ALA CB C 120 19.167 19.167 19.870 -0.703 18716 10471 1 17 . 1 1 120 120 ALA H H 120 8.163 8.163 7.701 0.462 18716 10472 1 17 . 1 1 121 121 ASP N N 121 119.228 119.228 118.676 0.552 18716 10473 1 17 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.832 -0.150 18716 10474 1 17 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.425 -0.161 18716 10475 1 17 . 1 1 121 121 ASP CB C 121 41.128 41.128 43.371 -2.243 18716 10476 1 17 . 1 1 121 121 ASP H H 121 8.252 8.252 8.363 -0.111 18716 10477 1 17 . 1 1 122 122 THR N N 122 113.602 113.602 113.385 0.217 18716 10478 1 17 . 1 1 122 122 THR HA H 122 4.358 4.358 4.041 0.317 18716 10479 1 17 . 1 1 122 122 THR CA C 122 61.971 61.971 62.582 -0.611 18716 10480 1 17 . 1 1 122 122 THR CB C 122 69.586 69.586 68.452 1.134 18716 10481 1 17 . 1 1 122 122 THR H H 122 8.075 8.075 7.897 0.178 18716 10482 1 17 . 1 1 123 123 GLY N N 123 110.478 110.478 108.249 2.229 18716 10483 1 17 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.623 0.980 18716 10484 1 17 . 1 1 123 123 GLY H H 123 8.414 8.414 8.473 -0.059 18716 10485 1 17 . 1 1 124 124 ASN N N 124 118.602 118.602 119.962 -1.360 18716 10486 1 17 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.725 -0.117 18716 10487 1 17 . 1 1 124 124 ASN CA C 124 54.733 54.733 51.681 3.052 18716 10488 1 17 . 1 1 124 124 ASN CB C 124 38.538 38.538 40.582 -2.044 18716 10489 1 17 . 1 1 124 124 ASN H H 124 8.266 8.266 8.361 -0.095 18716 10490 1 17 . 1 1 125 125 ASN N N 125 119.228 119.228 117.650 1.578 18716 10491 1 17 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.632 0.092 18716 10492 1 17 . 1 1 125 125 ASN CA C 125 53.453 53.453 52.481 0.972 18716 10493 1 17 . 1 1 125 125 ASN CB C 125 38.813 38.813 38.756 0.057 18716 10494 1 17 . 1 1 125 125 ASN H H 125 8.443 8.443 8.434 0.009 18716 10495 1 17 . 1 1 126 126 SER N N 126 115.790 115.790 114.984 0.806 18716 10496 1 17 . 1 1 126 126 SER HA H 126 4.388 4.388 4.426 -0.038 18716 10497 1 17 . 1 1 126 126 SER CA C 126 58.851 58.851 58.358 0.494 18716 10498 1 17 . 1 1 126 126 SER CB C 126 63.926 63.926 62.883 1.043 18716 10499 1 17 . 1 1 126 126 SER H H 126 8.266 8.266 8.422 -0.156 18716 10500 1 17 . 1 1 127 127 GLN N N 127 121.728 121.728 126.485 -4.757 18716 10501 1 17 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.392 -0.069 18716 10502 1 17 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.398 0.825 18716 10503 1 17 . 1 1 127 127 GLN CB C 127 29.168 29.168 30.280 -1.112 18716 10504 1 17 . 1 1 127 127 GLN H H 127 8.355 8.355 7.971 0.384 18716 10505 1 17 . 1 1 128 128 VAL N N 128 119.852 119.852 124.712 -4.860 18716 10506 1 17 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.062 0.047 18716 10507 1 17 . 1 1 128 128 VAL CA C 128 62.665 62.665 63.568 -0.903 18716 10508 1 17 . 1 1 128 128 VAL CB C 128 32.769 32.769 30.177 2.592 18716 10509 1 17 . 1 1 128 128 VAL H H 128 7.986 7.986 8.477 -0.491 18716 10510 1 17 . 1 1 129 129 SER N N 129 117.978 117.978 117.810 0.168 18716 10511 1 17 . 1 1 129 129 SER HA H 129 4.136 4.136 4.731 -0.595 18716 10512 1 17 . 1 1 129 129 SER CA C 129 58.404 58.404 57.799 0.605 18716 10513 1 17 . 1 1 129 129 SER CB C 129 63.755 63.755 65.188 -1.433 18716 10514 1 17 . 1 1 129 129 SER H H 129 8.252 8.252 8.125 0.127 18716 10515 1 17 . 1 1 130 130 GLN N N 130 121.728 121.728 121.485 0.243 18716 10516 1 17 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.680 -0.325 18716 10517 1 17 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.506 0.644 18716 10518 1 17 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.929 -0.556 18716 10519 1 17 . 1 1 130 130 GLN H H 130 8.355 8.355 8.528 -0.173 18716 10520 1 17 . 1 1 131 131 ASN N N 131 118.290 118.290 117.801 0.489 18716 10521 1 17 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.721 -0.089 18716 10522 1 17 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.461 0.107 18716 10523 1 17 . 1 1 131 131 ASN H H 131 8.252 8.252 8.937 -0.685 18716 10524 1 18 . 1 1 3 3 ALA N N 3 123.842 123.842 122.245 1.597 18716 10525 1 18 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.095 0.233 18716 10526 1 18 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.574 -0.037 18716 10527 1 18 . 1 1 3 3 ALA CB C 3 17.251 17.251 18.789 -1.538 18716 10528 1 18 . 1 1 3 3 ALA H H 3 8.183 8.183 8.170 0.013 18716 10529 1 18 . 1 1 4 4 ARG N N 4 120.165 120.165 120.116 0.049 18716 10530 1 18 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.533 -0.277 18716 10531 1 18 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.667 0.298 18716 10532 1 18 . 1 1 4 4 ARG CB C 4 30.961 30.961 32.059 -1.098 18716 10533 1 18 . 1 1 4 4 ARG H H 4 8.429 8.429 8.111 0.318 18716 10534 1 18 . 1 1 5 5 ALA N N 5 125.165 125.165 125.362 -0.197 18716 10535 1 18 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.587 -0.305 18716 10536 1 18 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.847 0.524 18716 10537 1 18 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.806 -0.134 18716 10538 1 18 . 1 1 5 5 ALA H H 5 8.370 8.370 8.390 -0.020 18716 10539 1 18 . 1 1 6 6 SER N N 6 114.540 114.540 113.972 0.568 18716 10540 1 18 . 1 1 6 6 SER HA H 6 4.479 4.479 4.554 -0.075 18716 10541 1 18 . 1 1 6 6 SER CA C 6 57.804 57.804 58.025 -0.221 18716 10542 1 18 . 1 1 6 6 SER CB C 6 64.034 64.034 64.441 -0.407 18716 10543 1 18 . 1 1 6 6 SER H H 6 8.134 8.134 7.960 0.174 18716 10544 1 18 . 1 1 7 7 VAL N N 7 121.415 121.415 121.155 0.260 18716 10545 1 18 . 1 1 7 7 VAL HA H 7 3.617 3.617 4.084 -0.467 18716 10546 1 18 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.411 2.300 18716 10547 1 18 . 1 1 7 7 VAL CB C 7 31.936 31.936 31.942 -0.006 18716 10548 1 18 . 1 1 7 7 VAL H H 7 8.119 8.119 8.309 -0.190 18716 10549 1 18 . 1 1 8 8 LEU N N 8 115.478 115.478 118.901 -3.423 18716 10550 1 18 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.949 -0.035 18716 10551 1 18 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.075 -0.600 18716 10552 1 18 . 1 1 8 8 LEU CB C 8 44.314 44.314 43.356 0.958 18716 10553 1 18 . 1 1 8 8 LEU H H 8 7.382 7.382 7.754 -0.372 18716 10554 1 18 . 1 1 9 9 SER N N 9 118.290 118.290 120.129 -1.839 18716 10555 1 18 . 1 1 9 9 SER HA H 9 4.606 4.606 4.551 0.055 18716 10556 1 18 . 1 1 9 9 SER CA C 9 57.197 57.197 57.492 -0.295 18716 10557 1 18 . 1 1 9 9 SER CB C 9 65.426 65.426 65.060 0.366 18716 10558 1 18 . 1 1 9 9 SER H H 9 9.166 9.166 8.861 0.305 18716 10559 1 18 . 1 1 10 10 GLY N N 10 109.228 109.228 109.235 -0.007 18716 10560 1 18 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.118 0.556 18716 10561 1 18 . 1 1 10 10 GLY H H 10 8.959 8.959 8.733 0.226 18716 10562 1 18 . 1 1 11 11 GLY N N 11 111.102 111.102 109.924 1.178 18716 10563 1 18 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.503 0.158 18716 10564 1 18 . 1 1 11 11 GLY H H 11 8.782 8.782 7.776 1.006 18716 10565 1 18 . 1 1 12 12 GLU N N 12 120.165 120.165 122.308 -2.143 18716 10566 1 18 . 1 1 12 12 GLU HA H 12 3.950 3.950 3.994 -0.044 18716 10567 1 18 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.877 0.219 18716 10568 1 18 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.375 1.915 18716 10569 1 18 . 1 1 12 12 GLU H H 12 7.751 7.751 7.504 0.247 18716 10570 1 18 . 1 1 13 13 LEU N N 13 121.415 121.415 121.352 0.063 18716 10571 1 18 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.130 -0.022 18716 10572 1 18 . 1 1 13 13 LEU CA C 13 58.062 58.062 57.794 0.268 18716 10573 1 18 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.125 -0.189 18716 10574 1 18 . 1 1 13 13 LEU H H 13 8.340 8.340 8.649 -0.309 18716 10575 1 18 . 1 1 14 14 ASP N N 14 116.415 116.415 119.850 -3.435 18716 10576 1 18 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.314 0.079 18716 10577 1 18 . 1 1 14 14 ASP CA C 14 57.136 57.136 58.072 -0.936 18716 10578 1 18 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.887 0.199 18716 10579 1 18 . 1 1 14 14 ASP H H 14 7.574 7.574 8.060 -0.486 18716 10580 1 18 . 1 1 15 15 LYS N N 15 115.478 115.478 118.989 -3.511 18716 10581 1 18 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.157 -0.111 18716 10582 1 18 . 1 1 15 15 LYS CA C 15 58.402 58.402 58.435 -0.033 18716 10583 1 18 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.045 0.314 18716 10584 1 18 . 1 1 15 15 LYS H H 15 7.117 7.117 7.653 -0.536 18716 10585 1 18 . 1 1 16 16 TRP N N 16 121.693 121.693 121.737 -0.044 18716 10586 1 18 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.157 -0.132 18716 10587 1 18 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.703 -0.417 18716 10588 1 18 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.349 1.764 18716 10589 1 18 . 1 1 16 16 TRP H H 16 8.646 8.646 8.513 0.133 18716 10590 1 18 . 1 1 17 17 GLU N N 17 127.710 127.710 115.901 11.809 18716 10591 1 18 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.359 0.332 18716 10592 1 18 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.562 -1.793 18716 10593 1 18 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.584 0.161 18716 10594 1 18 . 1 1 17 17 GLU H H 17 7.571 7.571 8.195 -0.624 18716 10595 1 18 . 1 1 18 18 LYS N N 18 115.790 115.790 118.513 -2.723 18716 10596 1 18 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.208 0.289 18716 10597 1 18 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.034 -1.465 18716 10598 1 18 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.058 0.881 18716 10599 1 18 . 1 1 18 18 LYS H H 18 7.456 7.456 7.320 0.136 18716 10600 1 18 . 1 1 19 19 ILE N N 19 124.228 124.228 121.367 2.861 18716 10601 1 18 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.966 -0.409 18716 10602 1 18 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.595 -0.475 18716 10603 1 18 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.608 0.574 18716 10604 1 18 . 1 1 19 19 ILE H H 19 7.633 7.633 8.157 -0.524 18716 10605 1 18 . 1 1 20 20 ARG N N 20 125.790 125.790 125.136 0.654 18716 10606 1 18 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.483 -0.055 18716 10607 1 18 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.785 1.710 18716 10608 1 18 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.825 -0.288 18716 10609 1 18 . 1 1 20 20 ARG H H 20 8.031 8.031 8.759 -0.728 18716 10610 1 18 . 1 1 21 21 LEU N N 21 120.165 120.165 121.411 -1.246 18716 10611 1 18 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.778 -0.347 18716 10612 1 18 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.206 1.029 18716 10613 1 18 . 1 1 21 21 LEU CB C 21 41.554 41.554 41.689 -0.135 18716 10614 1 18 . 1 1 21 21 LEU H H 21 7.810 7.810 8.447 -0.637 18716 10615 1 18 . 1 1 22 22 ARG N N 22 119.540 119.540 115.574 3.966 18716 10616 1 18 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.680 0.165 18716 10617 1 18 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.199 -0.355 18716 10618 1 18 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.491 -0.874 18716 10619 1 18 . 1 1 22 22 ARG H H 22 8.974 8.974 7.371 1.603 18716 10620 1 18 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.377 -0.017 18716 10621 1 18 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.410 -0.974 18716 10622 1 18 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.096 -0.531 18716 10623 1 18 . 1 1 24 24 GLY N N 24 112.665 112.665 106.247 6.418 18716 10624 1 18 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.125 1.680 18716 10625 1 18 . 1 1 24 24 GLY H H 24 9.138 9.138 7.777 1.361 18716 10626 1 18 . 1 1 25 25 GLY N N 25 107.978 107.978 107.704 0.274 18716 10627 1 18 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.325 0.247 18716 10628 1 18 . 1 1 25 25 GLY H H 25 8.134 8.134 7.362 0.772 18716 10629 1 18 . 1 1 26 26 LYS N N 26 117.665 117.665 118.595 -0.930 18716 10630 1 18 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.499 -0.235 18716 10631 1 18 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.176 0.677 18716 10632 1 18 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.509 1.547 18716 10633 1 18 . 1 1 26 26 LYS H H 26 8.665 8.665 8.175 0.490 18716 10634 1 18 . 1 1 27 27 LYS N N 27 117.925 117.925 119.028 -1.103 18716 10635 1 18 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.539 -0.228 18716 10636 1 18 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.216 1.995 18716 10637 1 18 . 1 1 27 27 LYS CB C 27 33.878 33.878 35.305 -1.427 18716 10638 1 18 . 1 1 27 27 LYS H H 27 7.817 7.817 7.717 0.100 18716 10639 1 18 . 1 1 28 28 GLN N N 28 122.978 122.978 118.655 4.323 18716 10640 1 18 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.378 0.438 18716 10641 1 18 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.660 -0.187 18716 10642 1 18 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.500 3.554 18716 10643 1 18 . 1 1 28 28 GLN H H 28 8.458 8.458 8.309 0.149 18716 10644 1 18 . 1 1 29 29 TYR N N 29 119.540 119.540 119.653 -0.113 18716 10645 1 18 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.458 -0.726 18716 10646 1 18 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.036 1.974 18716 10647 1 18 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.374 -2.158 18716 10648 1 18 . 1 1 29 29 TYR H H 29 7.824 7.824 8.682 -0.858 18716 10649 1 18 . 1 1 30 30 LYS N N 30 117.978 117.978 120.711 -2.733 18716 10650 1 18 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.899 0.317 18716 10651 1 18 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.027 -0.962 18716 10652 1 18 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.038 2.550 18716 10653 1 18 . 1 1 30 30 LYS H H 30 10.610 10.610 9.244 1.366 18716 10654 1 18 . 1 1 31 31 LEU N N 31 128.602 128.602 125.176 3.426 18716 10655 1 18 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.103 0.078 18716 10656 1 18 . 1 1 31 31 LEU CA C 31 59.234 59.234 57.929 1.305 18716 10657 1 18 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.197 -0.195 18716 10658 1 18 . 1 1 31 31 LEU H H 31 9.991 9.991 8.939 1.052 18716 10659 1 18 . 1 1 32 32 LYS N N 32 115.165 115.165 119.155 -3.990 18716 10660 1 18 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.942 0.203 18716 10661 1 18 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.551 -0.454 18716 10662 1 18 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.969 -0.410 18716 10663 1 18 . 1 1 32 32 LYS H H 32 8.399 8.399 8.656 -0.257 18716 10664 1 18 . 1 1 33 33 HIS N N 33 119.540 119.540 117.005 2.535 18716 10665 1 18 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.657 -0.053 18716 10666 1 18 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.531 3.360 18716 10667 1 18 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.410 2.374 18716 10668 1 18 . 1 1 33 33 HIS H H 33 8.193 8.193 7.847 0.346 18716 10669 1 18 . 1 1 34 34 ILE N N 34 119.540 119.540 120.702 -1.162 18716 10670 1 18 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.881 -0.088 18716 10671 1 18 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.751 -0.903 18716 10672 1 18 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.685 -0.706 18716 10673 1 18 . 1 1 34 34 ILE H H 34 7.898 7.898 7.485 0.413 18716 10674 1 18 . 1 1 35 35 VAL N N 35 122.040 122.040 119.566 2.474 18716 10675 1 18 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.803 -0.191 18716 10676 1 18 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.885 -0.139 18716 10677 1 18 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.638 0.504 18716 10678 1 18 . 1 1 35 35 VAL H H 35 7.706 7.706 8.521 -0.815 18716 10679 1 18 . 1 1 36 36 TRP N N 36 119.986 119.986 122.009 -2.023 18716 10680 1 18 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.243 -0.010 18716 10681 1 18 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.635 0.475 18716 10682 1 18 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.353 -0.941 18716 10683 1 18 . 1 1 36 36 TRP H H 36 8.452 8.452 7.981 0.471 18716 10684 1 18 . 1 1 37 37 ALA N N 37 120.478 120.478 119.144 1.334 18716 10685 1 18 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.996 -0.604 18716 10686 1 18 . 1 1 37 37 ALA CA C 37 55.137 55.137 54.349 0.788 18716 10687 1 18 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.284 -0.854 18716 10688 1 18 . 1 1 37 37 ALA H H 37 8.311 8.311 7.931 0.380 18716 10689 1 18 . 1 1 38 38 SER N N 38 111.415 111.415 116.474 -5.059 18716 10690 1 18 . 1 1 38 38 SER HA H 38 3.906 3.906 4.154 -0.248 18716 10691 1 18 . 1 1 38 38 SER CA C 38 62.801 62.801 61.627 1.175 18716 10692 1 18 . 1 1 38 38 SER CB C 38 62.829 62.829 63.232 -0.403 18716 10693 1 18 . 1 1 38 38 SER H H 38 8.259 8.259 7.905 0.354 18716 10694 1 18 . 1 1 39 39 ARG N N 39 119.852 119.852 120.234 -0.382 18716 10695 1 18 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.080 0.066 18716 10696 1 18 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.281 0.129 18716 10697 1 18 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.087 -0.079 18716 10698 1 18 . 1 1 39 39 ARG H H 39 7.559 7.559 8.001 -0.442 18716 10699 1 18 . 1 1 40 40 GLU N N 40 121.102 121.102 119.061 2.041 18716 10700 1 18 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.951 -0.164 18716 10701 1 18 . 1 1 40 40 GLU CA C 40 58.281 58.281 57.935 0.346 18716 10702 1 18 . 1 1 40 40 GLU CB C 40 29.674 29.674 29.143 0.531 18716 10703 1 18 . 1 1 40 40 GLU H H 40 8.222 8.222 7.417 0.805 18716 10704 1 18 . 1 1 41 41 LEU N N 41 117.040 117.040 120.791 -3.751 18716 10705 1 18 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.166 -0.206 18716 10706 1 18 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.882 0.415 18716 10707 1 18 . 1 1 41 41 LEU CB C 41 40.180 40.180 41.962 -1.782 18716 10708 1 18 . 1 1 41 41 LEU H H 41 8.016 8.016 7.564 0.452 18716 10709 1 18 . 1 1 42 42 GLU N N 42 117.352 117.352 118.252 -0.900 18716 10710 1 18 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.039 0.088 18716 10711 1 18 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.355 0.216 18716 10712 1 18 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.094 0.571 18716 10713 1 18 . 1 1 42 42 GLU H H 42 7.559 7.559 7.595 -0.036 18716 10714 1 18 . 1 1 43 43 ARG N N 43 119.540 119.540 118.109 1.431 18716 10715 1 18 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.016 0.011 18716 10716 1 18 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.117 0.484 18716 10717 1 18 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.062 -0.397 18716 10718 1 18 . 1 1 43 43 ARG H H 43 7.647 7.647 7.496 0.151 18716 10719 1 18 . 1 1 44 44 PHE N N 44 117.665 117.665 118.229 -0.564 18716 10720 1 18 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.633 -0.017 18716 10721 1 18 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.636 0.789 18716 10722 1 18 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.045 1.109 18716 10723 1 18 . 1 1 44 44 PHE H H 44 7.529 7.529 7.590 -0.061 18716 10724 1 18 . 1 1 45 45 ALA N N 45 118.915 118.915 119.217 -0.302 18716 10725 1 18 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.929 0.086 18716 10726 1 18 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.297 0.117 18716 10727 1 18 . 1 1 45 45 ALA CB C 45 16.281 16.281 16.900 -0.619 18716 10728 1 18 . 1 1 45 45 ALA H H 45 7.928 7.928 7.676 0.252 18716 10729 1 18 . 1 1 46 46 VAL N N 46 119.540 119.540 118.574 0.966 18716 10730 1 18 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.162 -0.067 18716 10731 1 18 . 1 1 46 46 VAL CA C 46 60.789 60.789 61.019 -0.230 18716 10732 1 18 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.303 0.117 18716 10733 1 18 . 1 1 46 46 VAL H H 46 7.765 7.765 7.633 0.132 18716 10734 1 18 . 1 1 47 47 ASN N N 47 125.790 125.790 127.131 -1.341 18716 10735 1 18 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.736 -0.090 18716 10736 1 18 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.240 -1.244 18716 10737 1 18 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.226 0.860 18716 10738 1 18 . 1 1 47 47 ASN H H 47 8.399 8.399 8.866 -0.467 18716 10739 1 18 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.419 -0.197 18716 10740 1 18 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.643 -0.329 18716 10741 1 18 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.889 -0.148 18716 10742 1 18 . 1 1 49 49 GLY N N 49 108.290 108.290 107.600 0.690 18716 10743 1 18 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.192 0.338 18716 10744 1 18 . 1 1 49 49 GLY H H 49 8.620 8.620 8.618 0.002 18716 10745 1 18 . 1 1 50 50 LEU N N 50 121.728 121.728 121.082 0.646 18716 10746 1 18 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.194 -0.057 18716 10747 1 18 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.002 1.297 18716 10748 1 18 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.866 -0.303 18716 10749 1 18 . 1 1 50 50 LEU H H 50 7.765 7.765 7.501 0.264 18716 10750 1 18 . 1 1 51 51 LEU N N 51 112.040 112.040 118.562 -6.522 18716 10751 1 18 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.167 0.059 18716 10752 1 18 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.050 -0.543 18716 10753 1 18 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.051 0.439 18716 10754 1 18 . 1 1 51 51 LEU H H 51 7.412 7.412 7.594 -0.182 18716 10755 1 18 . 1 1 52 52 GLU N N 52 114.540 114.540 113.830 0.710 18716 10756 1 18 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.376 -0.321 18716 10757 1 18 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.363 3.021 18716 10758 1 18 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.045 2.013 18716 10759 1 18 . 1 1 52 52 GLU H H 52 7.500 7.500 7.635 -0.135 18716 10760 1 18 . 1 1 53 53 THR N N 53 122.978 122.978 110.437 12.541 18716 10761 1 18 . 1 1 53 53 THR HA H 53 4.402 4.402 4.541 -0.139 18716 10762 1 18 . 1 1 53 53 THR CA C 53 58.306 58.306 59.462 -1.156 18716 10763 1 18 . 1 1 53 53 THR CB C 53 73.222 73.222 71.492 1.730 18716 10764 1 18 . 1 1 53 53 THR H H 53 7.235 7.235 7.446 -0.211 18716 10765 1 18 . 1 1 54 54 SER N N 54 119.228 119.228 121.660 -2.432 18716 10766 1 18 . 1 1 54 54 SER HA H 54 4.043 4.043 4.218 -0.175 18716 10767 1 18 . 1 1 54 54 SER CA C 54 62.657 62.657 61.325 1.333 18716 10768 1 18 . 1 1 54 54 SER CB C 54 62.562 62.562 62.788 -0.226 18716 10769 1 18 . 1 1 54 54 SER H H 54 9.313 9.313 8.857 0.456 18716 10770 1 18 . 1 1 55 55 GLU N N 55 121.233 121.233 120.521 0.712 18716 10771 1 18 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.392 -0.323 18716 10772 1 18 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.074 1.601 18716 10773 1 18 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.607 -0.608 18716 10774 1 18 . 1 1 55 55 GLU H H 55 8.975 8.975 8.398 0.577 18716 10775 1 18 . 1 1 56 56 GLY N N 56 110.790 110.790 109.059 1.731 18716 10776 1 18 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.273 0.593 18716 10777 1 18 . 1 1 56 56 GLY H H 56 8.517 8.517 8.258 0.259 18716 10778 1 18 . 1 1 57 57 CYS N N 57 118.602 118.602 119.417 -0.815 18716 10779 1 18 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.128 -0.104 18716 10780 1 18 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.732 0.870 18716 10781 1 18 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.380 20.415 18716 10782 1 18 . 1 1 57 57 CYS H H 57 8.134 8.134 8.149 -0.015 18716 10783 1 18 . 1 1 58 58 ARG N N 58 119.540 119.540 119.942 -0.402 18716 10784 1 18 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.632 -0.082 18716 10785 1 18 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.167 0.540 18716 10786 1 18 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.860 -0.411 18716 10787 1 18 . 1 1 58 58 ARG H H 58 8.488 8.488 7.855 0.633 18716 10788 1 18 . 1 1 59 59 GLN N N 59 119.852 119.852 119.282 0.570 18716 10789 1 18 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.115 -0.063 18716 10790 1 18 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.545 0.855 18716 10791 1 18 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.619 -0.385 18716 10792 1 18 . 1 1 59 59 GLN H H 59 8.016 8.016 7.569 0.447 18716 10793 1 18 . 1 1 60 60 ILE N N 60 120.790 120.790 119.884 0.906 18716 10794 1 18 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.691 -0.079 18716 10795 1 18 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.332 0.319 18716 10796 1 18 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.969 -0.119 18716 10797 1 18 . 1 1 60 60 ILE H H 60 8.163 8.163 8.180 -0.017 18716 10798 1 18 . 1 1 61 61 LEU N N 61 118.915 118.915 117.867 1.048 18716 10799 1 18 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.167 -0.272 18716 10800 1 18 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.252 1.402 18716 10801 1 18 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.294 -0.518 18716 10802 1 18 . 1 1 61 61 LEU H H 61 8.370 8.370 7.751 0.619 18716 10803 1 18 . 1 1 62 62 GLY N N 62 104.332 104.332 106.252 -1.920 18716 10804 1 18 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.629 0.555 18716 10805 1 18 . 1 1 62 62 GLY H H 62 7.883 7.883 7.924 -0.041 18716 10806 1 18 . 1 1 63 63 GLN N N 63 119.852 119.852 118.865 0.987 18716 10807 1 18 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.246 -0.098 18716 10808 1 18 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.816 0.057 18716 10809 1 18 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.719 -0.604 18716 10810 1 18 . 1 1 63 63 GLN H H 63 7.795 7.795 7.467 0.328 18716 10811 1 18 . 1 1 64 64 LEU N N 64 117.040 117.040 118.808 -1.768 18716 10812 1 18 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.117 0.141 18716 10813 1 18 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.226 -0.043 18716 10814 1 18 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.844 2.354 18716 10815 1 18 . 1 1 64 64 LEU H H 64 8.252 8.252 7.332 0.920 18716 10816 1 18 . 1 1 65 65 GLN N N 65 118.915 118.915 118.298 0.617 18716 10817 1 18 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.822 -0.043 18716 10818 1 18 . 1 1 65 65 GLN CA C 65 61.547 61.547 59.584 1.963 18716 10819 1 18 . 1 1 65 65 GLN CB C 65 25.864 25.864 27.831 -1.967 18716 10820 1 18 . 1 1 65 65 GLN H H 65 8.104 8.104 8.039 0.065 18716 10821 1 18 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.303 0.080 18716 10822 1 18 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.604 1.313 18716 10823 1 18 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.304 -0.205 18716 10824 1 18 . 1 1 67 67 SER N N 67 111.415 111.415 113.014 -1.599 18716 10825 1 18 . 1 1 67 67 SER HA H 67 4.493 4.493 4.602 -0.109 18716 10826 1 18 . 1 1 67 67 SER CA C 67 59.696 59.696 57.883 1.813 18716 10827 1 18 . 1 1 67 67 SER CB C 67 64.031 64.031 62.913 1.118 18716 10828 1 18 . 1 1 67 67 SER H H 67 7.824 7.824 7.631 0.193 18716 10829 1 18 . 1 1 68 68 LEU N N 68 121.102 121.102 122.167 -1.065 18716 10830 1 18 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.930 -0.114 18716 10831 1 18 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.796 0.152 18716 10832 1 18 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.895 -0.126 18716 10833 1 18 . 1 1 68 68 LEU H H 68 7.647 7.647 7.285 0.362 18716 10834 1 18 . 1 1 69 69 GLN N N 69 116.415 116.415 118.196 -1.781 18716 10835 1 18 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.163 -0.094 18716 10836 1 18 . 1 1 69 69 GLN CA C 69 58.470 58.470 57.706 0.764 18716 10837 1 18 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.093 -0.665 18716 10838 1 18 . 1 1 69 69 GLN H H 69 8.060 8.060 8.464 -0.404 18716 10839 1 18 . 1 1 70 70 THR N N 70 106.728 106.728 113.496 -6.768 18716 10840 1 18 . 1 1 70 70 THR HA H 70 4.481 4.481 4.461 0.020 18716 10841 1 18 . 1 1 70 70 THR CA C 70 61.291 61.291 61.902 -0.611 18716 10842 1 18 . 1 1 70 70 THR CB C 70 69.415 69.415 68.692 0.723 18716 10843 1 18 . 1 1 70 70 THR H H 70 7.515 7.515 7.984 -0.469 18716 10844 1 18 . 1 1 71 71 GLY N N 71 109.540 109.540 109.697 -0.157 18716 10845 1 18 . 1 1 71 71 GLY CA C 71 45.553 45.553 43.791 1.762 18716 10846 1 18 . 1 1 71 71 GLY H H 71 7.692 7.692 7.347 0.345 18716 10847 1 18 . 1 1 72 72 SER N N 72 114.540 114.540 116.327 -1.787 18716 10848 1 18 . 1 1 72 72 SER HA H 72 4.625 4.625 4.655 -0.030 18716 10849 1 18 . 1 1 72 72 SER CA C 72 57.319 57.319 57.597 -0.278 18716 10850 1 18 . 1 1 72 72 SER CB C 72 64.599 64.599 65.231 -0.632 18716 10851 1 18 . 1 1 72 72 SER H H 72 8.045 8.045 8.102 -0.057 18716 10852 1 18 . 1 1 73 73 GLU N N 73 124.228 124.228 120.209 4.019 18716 10853 1 18 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.049 0.038 18716 10854 1 18 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.302 0.078 18716 10855 1 18 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.307 -0.005 18716 10856 1 18 . 1 1 73 73 GLU H H 73 9.092 9.092 8.933 0.159 18716 10857 1 18 . 1 1 74 74 GLU N N 74 120.165 120.165 119.942 0.223 18716 10858 1 18 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.427 -0.169 18716 10859 1 18 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.291 1.015 18716 10860 1 18 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.876 -0.414 18716 10861 1 18 . 1 1 74 74 GLU H H 74 8.665 8.665 7.847 0.818 18716 10862 1 18 . 1 1 75 75 LEU N N 75 121.415 121.415 120.713 0.702 18716 10863 1 18 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.034 0.149 18716 10864 1 18 . 1 1 75 75 LEU CA C 75 57.932 57.932 57.742 0.189 18716 10865 1 18 . 1 1 75 75 LEU CB C 75 41.178 41.178 41.946 -0.768 18716 10866 1 18 . 1 1 75 75 LEU H H 75 7.765 7.765 7.851 -0.086 18716 10867 1 18 . 1 1 76 76 ARG N N 76 119.228 119.228 119.397 -0.169 18716 10868 1 18 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.976 -0.043 18716 10869 1 18 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.783 -0.101 18716 10870 1 18 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.096 -0.899 18716 10871 1 18 . 1 1 76 76 ARG H H 76 7.868 7.868 8.047 -0.179 18716 10872 1 18 . 1 1 77 77 SER N N 77 114.228 114.228 116.184 -1.956 18716 10873 1 18 . 1 1 77 77 SER HA H 77 4.263 4.263 4.176 0.087 18716 10874 1 18 . 1 1 77 77 SER CA C 77 62.668 62.668 62.220 0.448 18716 10875 1 18 . 1 1 77 77 SER CB C 77 62.849 62.849 63.059 -0.210 18716 10876 1 18 . 1 1 77 77 SER H H 77 8.576 8.576 8.016 0.560 18716 10877 1 18 . 1 1 78 78 LEU N N 78 125.790 125.790 123.209 2.581 18716 10878 1 18 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.298 0.123 18716 10879 1 18 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.000 0.962 18716 10880 1 18 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.233 0.685 18716 10881 1 18 . 1 1 78 78 LEU H H 78 8.458 8.458 8.034 0.424 18716 10882 1 18 . 1 1 79 79 TYR N N 79 119.852 119.852 119.348 0.504 18716 10883 1 18 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.093 -0.432 18716 10884 1 18 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.661 1.141 18716 10885 1 18 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.289 0.905 18716 10886 1 18 . 1 1 79 79 TYR H H 79 8.694 8.694 8.275 0.419 18716 10887 1 18 . 1 1 80 80 ASN N N 80 117.040 117.040 117.409 -0.369 18716 10888 1 18 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.500 -0.216 18716 10889 1 18 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.383 -0.597 18716 10890 1 18 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.208 -0.369 18716 10891 1 18 . 1 1 80 80 ASN H H 80 8.871 8.871 7.851 1.020 18716 10892 1 18 . 1 1 81 81 THR N N 81 115.790 115.790 118.126 -2.336 18716 10893 1 18 . 1 1 81 81 THR HA H 81 3.945 3.945 4.268 -0.323 18716 10894 1 18 . 1 1 81 81 THR CA C 81 67.855 67.855 66.986 0.870 18716 10895 1 18 . 1 1 81 81 THR CB C 81 69.140 69.140 68.746 0.394 18716 10896 1 18 . 1 1 81 81 THR H H 81 8.119 8.119 8.259 -0.140 18716 10897 1 18 . 1 1 82 82 ILE N N 82 121.102 121.102 120.317 0.785 18716 10898 1 18 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.803 -0.135 18716 10899 1 18 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.176 -0.656 18716 10900 1 18 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.072 -0.586 18716 10901 1 18 . 1 1 82 82 ILE H H 82 8.090 8.090 8.753 -0.663 18716 10902 1 18 . 1 1 83 83 ALA N N 83 125.165 125.165 123.623 1.542 18716 10903 1 18 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.992 -0.101 18716 10904 1 18 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.152 0.703 18716 10905 1 18 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.982 -0.141 18716 10906 1 18 . 1 1 83 83 ALA H H 83 8.782 8.782 7.307 1.475 18716 10907 1 18 . 1 1 84 84 VAL N N 84 117.665 117.665 119.439 -1.774 18716 10908 1 18 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.523 -0.195 18716 10909 1 18 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.643 0.822 18716 10910 1 18 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.320 -0.625 18716 10911 1 18 . 1 1 84 84 VAL H H 84 7.795 7.795 7.729 0.066 18716 10912 1 18 . 1 1 85 85 LEU N N 85 122.040 122.040 120.218 1.822 18716 10913 1 18 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.916 -0.101 18716 10914 1 18 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.346 -0.036 18716 10915 1 18 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.797 0.351 18716 10916 1 18 . 1 1 85 85 LEU H H 85 8.163 8.163 8.202 -0.039 18716 10917 1 18 . 1 1 86 86 TYR N N 86 118.915 118.915 120.521 -1.606 18716 10918 1 18 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.109 -0.197 18716 10919 1 18 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.730 1.089 18716 10920 1 18 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.900 0.387 18716 10921 1 18 . 1 1 86 86 TYR H H 86 9.062 9.062 7.924 1.138 18716 10922 1 18 . 1 1 87 87 CYS N N 87 116.102 116.102 117.010 -0.908 18716 10923 1 18 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.793 0.001 18716 10924 1 18 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.840 2.126 18716 10925 1 18 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.154 20.403 18716 10926 1 18 . 1 1 87 87 CYS H H 87 7.515 7.515 8.618 -1.103 18716 10927 1 18 . 1 1 88 88 VAL N N 88 119.978 119.978 120.124 -0.146 18716 10928 1 18 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.935 -0.057 18716 10929 1 18 . 1 1 88 88 VAL CA C 88 66.421 66.421 66.150 0.271 18716 10930 1 18 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.213 0.374 18716 10931 1 18 . 1 1 88 88 VAL H H 88 8.429 8.429 7.373 1.056 18716 10932 1 18 . 1 1 89 89 HIS N N 89 118.915 118.915 116.621 2.294 18716 10933 1 18 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.599 0.276 18716 10934 1 18 . 1 1 89 89 HIS CA C 89 57.120 57.120 57.656 -0.536 18716 10935 1 18 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.399 -0.316 18716 10936 1 18 . 1 1 89 89 HIS H H 89 8.797 8.797 7.775 1.022 18716 10937 1 18 . 1 1 90 90 GLN N N 90 116.728 116.728 118.504 -1.776 18716 10938 1 18 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.163 0.222 18716 10939 1 18 . 1 1 90 90 GLN CA C 90 55.289 55.289 58.140 -2.851 18716 10940 1 18 . 1 1 90 90 GLN CB C 90 30.952 30.952 29.940 1.012 18716 10941 1 18 . 1 1 90 90 GLN H H 90 7.986 7.986 7.917 0.069 18716 10942 1 18 . 1 1 91 91 ARG N N 91 115.165 115.165 116.254 -1.089 18716 10943 1 18 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.393 -0.380 18716 10944 1 18 . 1 1 91 91 ARG CA C 91 57.183 57.183 55.937 1.246 18716 10945 1 18 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.419 -5.370 18716 10946 1 18 . 1 1 91 91 ARG H H 91 7.883 7.883 7.857 0.026 18716 10947 1 18 . 1 1 92 92 ILE N N 92 120.087 120.087 120.615 -0.528 18716 10948 1 18 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.275 -0.290 18716 10949 1 18 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.723 -0.067 18716 10950 1 18 . 1 1 92 92 ILE CB C 92 38.930 38.930 41.314 -2.384 18716 10951 1 18 . 1 1 92 92 ILE H H 92 8.335 8.335 8.326 0.009 18716 10952 1 18 . 1 1 93 93 ASP N N 93 129.228 129.228 124.125 5.103 18716 10953 1 18 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.890 -0.405 18716 10954 1 18 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.342 1.701 18716 10955 1 18 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.877 -0.481 18716 10956 1 18 . 1 1 93 93 ASP H H 93 8.620 8.620 8.526 0.094 18716 10957 1 18 . 1 1 94 94 VAL N N 94 115.790 115.790 117.784 -1.994 18716 10958 1 18 . 1 1 94 94 VAL HA H 94 4.633 4.633 3.862 0.771 18716 10959 1 18 . 1 1 94 94 VAL CA C 94 59.120 59.120 62.152 -3.032 18716 10960 1 18 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.252 3.260 18716 10961 1 18 . 1 1 94 94 VAL H H 94 7.751 7.751 7.894 -0.143 18716 10962 1 18 . 1 1 95 95 LYS N N 95 118.915 118.915 117.900 1.015 18716 10963 1 18 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.555 -0.162 18716 10964 1 18 . 1 1 95 95 LYS CA C 95 56.671 56.671 56.803 -0.132 18716 10965 1 18 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.982 0.026 18716 10966 1 18 . 1 1 95 95 LYS H H 95 9.239 9.239 8.429 0.810 18716 10967 1 18 . 1 1 96 96 ASP N N 96 112.040 112.040 116.278 -4.238 18716 10968 1 18 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.620 -0.058 18716 10969 1 18 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.432 0.397 18716 10970 1 18 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.458 1.146 18716 10971 1 18 . 1 1 96 96 ASP H H 96 7.412 7.412 7.706 -0.294 18716 10972 1 18 . 1 1 97 97 THR N N 97 109.540 109.540 115.069 -5.529 18716 10973 1 18 . 1 1 97 97 THR HA H 97 3.661 3.661 4.008 -0.347 18716 10974 1 18 . 1 1 97 97 THR CA C 97 65.947 65.947 67.163 -1.216 18716 10975 1 18 . 1 1 97 97 THR CB C 97 70.285 70.285 68.976 1.309 18716 10976 1 18 . 1 1 97 97 THR H H 97 7.250 7.250 8.240 -0.990 18716 10977 1 18 . 1 1 98 98 LYS N N 98 121.102 121.102 121.553 -0.451 18716 10978 1 18 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.970 -0.025 18716 10979 1 18 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.915 -0.287 18716 10980 1 18 . 1 1 98 98 LYS CB C 98 31.927 31.927 32.108 -0.181 18716 10981 1 18 . 1 1 98 98 LYS H H 98 7.868 7.868 8.414 -0.546 18716 10982 1 18 . 1 1 99 99 GLU N N 99 119.228 119.228 119.226 0.002 18716 10983 1 18 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.145 -0.068 18716 10984 1 18 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.114 0.681 18716 10985 1 18 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.730 0.516 18716 10986 1 18 . 1 1 99 99 GLU H H 99 8.384 8.384 8.447 -0.063 18716 10987 1 18 . 1 1 100 100 ALA N N 100 118.915 118.915 122.713 -3.798 18716 10988 1 18 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.098 0.288 18716 10989 1 18 . 1 1 100 100 ALA CA C 100 55.396 55.396 55.066 0.330 18716 10990 1 18 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.456 1.302 18716 10991 1 18 . 1 1 100 100 ALA H H 100 7.382 7.382 7.708 -0.326 18716 10992 1 18 . 1 1 101 101 LEU N N 101 117.978 117.978 117.677 0.301 18716 10993 1 18 . 1 1 101 101 LEU HA H 101 4.020 4.020 3.992 0.028 18716 10994 1 18 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.359 0.616 18716 10995 1 18 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.925 -0.432 18716 10996 1 18 . 1 1 101 101 LEU H H 101 8.119 8.119 7.778 0.341 18716 10997 1 18 . 1 1 102 102 ASP N N 102 120.478 120.478 119.874 0.604 18716 10998 1 18 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.340 0.027 18716 10999 1 18 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.679 -0.327 18716 11000 1 18 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.801 -1.079 18716 11001 1 18 . 1 1 102 102 ASP H H 102 8.679 8.679 7.730 0.949 18716 11002 1 18 . 1 1 103 103 LYS N N 103 120.165 120.165 118.989 1.176 18716 11003 1 18 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.091 0.073 18716 11004 1 18 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.694 -1.329 18716 11005 1 18 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.614 -1.082 18716 11006 1 18 . 1 1 103 103 LYS H H 103 8.207 8.207 8.032 0.175 18716 11007 1 18 . 1 1 104 104 ILE N N 104 119.852 119.852 119.265 0.587 18716 11008 1 18 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.884 -0.074 18716 11009 1 18 . 1 1 104 104 ILE CA C 104 64.608 64.608 64.723 -0.115 18716 11010 1 18 . 1 1 104 104 ILE CB C 104 37.434 37.434 38.084 -0.650 18716 11011 1 18 . 1 1 104 104 ILE H H 104 8.163 8.163 7.502 0.661 18716 11012 1 18 . 1 1 105 105 GLU N N 105 121.415 121.415 119.977 1.438 18716 11013 1 18 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.022 0.013 18716 11014 1 18 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.826 -0.192 18716 11015 1 18 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.438 3.318 18716 11016 1 18 . 1 1 105 105 GLU H H 105 8.001 8.001 8.274 -0.273 18716 11017 1 18 . 1 1 106 106 GLU N N 106 119.228 119.228 119.612 -0.384 18716 11018 1 18 . 1 1 106 106 GLU HA H 106 4.090 4.090 3.995 0.095 18716 11019 1 18 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.776 -0.509 18716 11020 1 18 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.605 -0.008 18716 11021 1 18 . 1 1 106 106 GLU H H 106 8.031 8.031 8.236 -0.205 18716 11022 1 18 . 1 1 107 107 GLU N N 107 118.915 118.915 117.729 1.186 18716 11023 1 18 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.041 0.032 18716 11024 1 18 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.145 0.196 18716 11025 1 18 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.696 0.174 18716 11026 1 18 . 1 1 107 107 GLU H H 107 8.016 8.016 7.678 0.338 18716 11027 1 18 . 1 1 108 108 GLN N N 108 118.290 118.290 118.145 0.145 18716 11028 1 18 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.207 -0.060 18716 11029 1 18 . 1 1 108 108 GLN CA C 108 58.407 58.407 57.734 0.673 18716 11030 1 18 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.794 0.051 18716 11031 1 18 . 1 1 108 108 GLN H H 108 8.252 8.252 7.503 0.749 18716 11032 1 18 . 1 1 109 109 ASN N N 109 118.290 118.290 120.261 -1.971 18716 11033 1 18 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.342 0.275 18716 11034 1 18 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.775 -1.893 18716 11035 1 18 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.388 0.137 18716 11036 1 18 . 1 1 109 109 ASN H H 109 8.252 8.252 8.173 0.079 18716 11037 1 18 . 1 1 110 110 LYS N N 110 120.478 120.478 118.835 1.643 18716 11038 1 18 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.031 0.199 18716 11039 1 18 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.587 -1.276 18716 11040 1 18 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.218 0.473 18716 11041 1 18 . 1 1 110 110 LYS H H 110 8.031 8.031 7.698 0.333 18716 11042 1 18 . 1 1 111 111 SER N N 111 114.540 114.540 114.498 0.042 18716 11043 1 18 . 1 1 111 111 SER HA H 111 4.368 4.368 4.312 0.056 18716 11044 1 18 . 1 1 111 111 SER CA C 111 59.764 59.764 61.014 -1.250 18716 11045 1 18 . 1 1 111 111 SER CB C 111 63.442 63.442 62.963 0.479 18716 11046 1 18 . 1 1 111 111 SER H H 111 8.031 8.031 7.887 0.144 18716 11047 1 18 . 1 1 112 112 LYS N N 112 122.040 122.040 122.723 -0.683 18716 11048 1 18 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.011 0.234 18716 11049 1 18 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.479 -2.150 18716 11050 1 18 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.558 0.217 18716 11051 1 18 . 1 1 112 112 LYS H H 112 7.957 7.957 7.946 0.011 18716 11052 1 18 . 1 1 113 113 LYS N N 113 120.790 120.790 117.204 3.586 18716 11053 1 18 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.040 0.110 18716 11054 1 18 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.859 0.275 18716 11055 1 18 . 1 1 113 113 LYS CB C 113 32.766 32.766 31.908 0.858 18716 11056 1 18 . 1 1 113 113 LYS H H 113 8.016 8.016 7.838 0.178 18716 11057 1 18 . 1 1 114 114 LYS N N 114 121.728 121.728 117.744 3.984 18716 11058 1 18 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.170 0.093 18716 11059 1 18 . 1 1 114 114 LYS CA C 114 57.185 57.185 58.534 -1.349 18716 11060 1 18 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.691 0.166 18716 11061 1 18 . 1 1 114 114 LYS H H 114 8.119 8.119 7.693 0.426 18716 11062 1 18 . 1 1 115 115 ALA N N 115 124.228 124.228 120.628 3.600 18716 11063 1 18 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.202 0.066 18716 11064 1 18 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.093 -1.058 18716 11065 1 18 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.715 0.324 18716 11066 1 18 . 1 1 115 115 ALA H H 115 8.178 8.178 7.498 0.680 18716 11067 1 18 . 1 1 116 116 GLN N N 116 119.228 119.228 116.731 2.497 18716 11068 1 18 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.439 -0.191 18716 11069 1 18 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.584 0.965 18716 11070 1 18 . 1 1 116 116 GLN H H 116 8.237 8.237 7.729 0.508 18716 11071 1 18 . 1 1 117 117 GLN N N 117 120.478 120.478 119.057 1.421 18716 11072 1 18 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.152 0.117 18716 11073 1 18 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.861 -1.538 18716 11074 1 18 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.851 0.756 18716 11075 1 18 . 1 1 117 117 GLN H H 117 8.266 8.266 7.870 0.396 18716 11076 1 18 . 1 1 118 118 ALA N N 118 124.852 124.852 121.322 3.530 18716 11077 1 18 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.286 -0.010 18716 11078 1 18 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.601 -0.764 18716 11079 1 18 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.842 0.220 18716 11080 1 18 . 1 1 118 118 ALA H H 118 8.266 8.266 8.162 0.104 18716 11081 1 18 . 1 1 119 119 ALA N N 119 122.978 122.978 120.235 2.743 18716 11082 1 18 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.398 -0.104 18716 11083 1 18 . 1 1 119 119 ALA CA C 119 52.637 52.637 51.864 0.773 18716 11084 1 18 . 1 1 119 119 ALA CB C 119 19.201 19.201 16.824 2.377 18716 11085 1 18 . 1 1 119 119 ALA H H 119 8.163 8.163 8.165 -0.002 18716 11086 1 18 . 1 1 120 120 ALA N N 120 122.665 122.665 122.588 0.077 18716 11087 1 18 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.473 -0.196 18716 11088 1 18 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.249 0.487 18716 11089 1 18 . 1 1 120 120 ALA CB C 120 19.167 19.167 20.183 -1.016 18716 11090 1 18 . 1 1 120 120 ALA H H 120 8.163 8.163 7.703 0.460 18716 11091 1 18 . 1 1 121 121 ASP N N 121 119.228 119.228 120.056 -0.828 18716 11092 1 18 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.787 -0.105 18716 11093 1 18 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.227 0.037 18716 11094 1 18 . 1 1 121 121 ASP CB C 121 41.128 41.128 40.972 0.156 18716 11095 1 18 . 1 1 121 121 ASP H H 121 8.252 8.252 8.616 -0.364 18716 11096 1 18 . 1 1 122 122 THR N N 122 113.602 113.602 111.761 1.841 18716 11097 1 18 . 1 1 122 122 THR HA H 122 4.358 4.358 4.578 -0.220 18716 11098 1 18 . 1 1 122 122 THR CA C 122 61.971 61.971 60.788 1.183 18716 11099 1 18 . 1 1 122 122 THR CB C 122 69.586 69.586 70.780 -1.194 18716 11100 1 18 . 1 1 122 122 THR H H 122 8.075 8.075 7.822 0.253 18716 11101 1 18 . 1 1 123 123 GLY N N 123 110.478 110.478 108.980 1.498 18716 11102 1 18 . 1 1 123 123 GLY CA C 123 45.603 45.603 44.163 1.440 18716 11103 1 18 . 1 1 123 123 GLY H H 123 8.414 8.414 8.490 -0.076 18716 11104 1 18 . 1 1 124 124 ASN N N 124 118.602 118.602 119.715 -1.113 18716 11105 1 18 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.646 -0.038 18716 11106 1 18 . 1 1 124 124 ASN CA C 124 54.733 54.733 53.748 0.985 18716 11107 1 18 . 1 1 124 124 ASN CB C 124 38.538 38.538 37.256 1.282 18716 11108 1 18 . 1 1 124 124 ASN H H 124 8.266 8.266 8.567 -0.301 18716 11109 1 18 . 1 1 125 125 ASN N N 125 119.228 119.228 118.364 0.864 18716 11110 1 18 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.756 -0.032 18716 11111 1 18 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.285 0.168 18716 11112 1 18 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.347 -0.534 18716 11113 1 18 . 1 1 125 125 ASN H H 125 8.443 8.443 7.986 0.457 18716 11114 1 18 . 1 1 126 126 SER N N 126 115.790 115.790 115.795 -0.005 18716 11115 1 18 . 1 1 126 126 SER HA H 126 4.388 4.388 4.477 -0.089 18716 11116 1 18 . 1 1 126 126 SER CA C 126 58.851 58.851 58.618 0.233 18716 11117 1 18 . 1 1 126 126 SER CB C 126 63.926 63.926 64.729 -0.803 18716 11118 1 18 . 1 1 126 126 SER H H 126 8.266 8.266 8.205 0.061 18716 11119 1 18 . 1 1 127 127 GLN N N 127 121.728 121.728 125.731 -4.003 18716 11120 1 18 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.792 -0.469 18716 11121 1 18 . 1 1 127 127 GLN CA C 127 56.223 56.223 56.131 0.092 18716 11122 1 18 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.165 0.003 18716 11123 1 18 . 1 1 127 127 GLN H H 127 8.355 8.355 8.559 -0.204 18716 11124 1 18 . 1 1 128 128 VAL N N 128 119.852 119.852 122.706 -2.854 18716 11125 1 18 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.284 -0.175 18716 11126 1 18 . 1 1 128 128 VAL CA C 128 62.665 62.665 61.578 1.087 18716 11127 1 18 . 1 1 128 128 VAL CB C 128 32.769 32.769 34.300 -1.531 18716 11128 1 18 . 1 1 128 128 VAL H H 128 7.986 7.986 8.152 -0.166 18716 11129 1 18 . 1 1 129 129 SER N N 129 117.978 117.978 123.181 -5.203 18716 11130 1 18 . 1 1 129 129 SER HA H 129 4.136 4.136 4.633 -0.497 18716 11131 1 18 . 1 1 129 129 SER CA C 129 58.404 58.404 59.818 -1.414 18716 11132 1 18 . 1 1 129 129 SER CB C 129 63.755 63.755 63.011 0.744 18716 11133 1 18 . 1 1 129 129 SER H H 129 8.252 8.252 8.592 -0.340 18716 11134 1 18 . 1 1 130 130 GLN N N 130 121.728 121.728 123.872 -2.144 18716 11135 1 18 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.568 -0.213 18716 11136 1 18 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.326 0.824 18716 11137 1 18 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.534 -0.161 18716 11138 1 18 . 1 1 130 130 GLN H H 130 8.355 8.355 8.642 -0.287 18716 11139 1 18 . 1 1 131 131 ASN N N 131 118.290 118.290 118.831 -0.541 18716 11140 1 18 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.968 -0.336 18716 11141 1 18 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.408 0.160 18716 11142 1 18 . 1 1 131 131 ASN H H 131 8.252 8.252 7.984 0.268 18716 11143 1 19 . 1 1 3 3 ALA N N 3 123.842 123.842 122.720 1.122 18716 11144 1 19 . 1 1 3 3 ALA HA H 3 4.328 4.328 5.207 -0.879 18716 11145 1 19 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.221 1.316 18716 11146 1 19 . 1 1 3 3 ALA CB C 3 17.251 17.251 20.928 -3.677 18716 11147 1 19 . 1 1 3 3 ALA H H 3 8.183 8.183 8.304 -0.121 18716 11148 1 19 . 1 1 4 4 ARG N N 4 120.165 120.165 119.828 0.337 18716 11149 1 19 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.796 -0.540 18716 11150 1 19 . 1 1 4 4 ARG CA C 4 55.965 55.965 57.981 -2.016 18716 11151 1 19 . 1 1 4 4 ARG CB C 4 30.961 30.961 30.846 0.115 18716 11152 1 19 . 1 1 4 4 ARG H H 4 8.429 8.429 9.190 -0.761 18716 11153 1 19 . 1 1 5 5 ALA N N 5 125.165 125.165 120.651 4.514 18716 11154 1 19 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.428 -0.146 18716 11155 1 19 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.776 0.595 18716 11156 1 19 . 1 1 5 5 ALA CB C 5 19.672 19.672 20.339 -0.667 18716 11157 1 19 . 1 1 5 5 ALA H H 5 8.370 8.370 7.988 0.382 18716 11158 1 19 . 1 1 6 6 SER N N 6 114.540 114.540 114.469 0.071 18716 11159 1 19 . 1 1 6 6 SER HA H 6 4.479 4.479 4.184 0.295 18716 11160 1 19 . 1 1 6 6 SER CA C 6 57.804 57.804 58.413 -0.609 18716 11161 1 19 . 1 1 6 6 SER CB C 6 64.034 64.034 63.768 0.266 18716 11162 1 19 . 1 1 6 6 SER H H 6 8.134 8.134 8.379 -0.245 18716 11163 1 19 . 1 1 7 7 VAL N N 7 121.415 121.415 119.013 2.402 18716 11164 1 19 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.864 -0.247 18716 11165 1 19 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.287 1.425 18716 11166 1 19 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.243 -0.307 18716 11167 1 19 . 1 1 7 7 VAL H H 7 8.119 8.119 8.103 0.016 18716 11168 1 19 . 1 1 8 8 LEU N N 8 115.478 115.478 116.794 -1.316 18716 11169 1 19 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.885 0.029 18716 11170 1 19 . 1 1 8 8 LEU CA C 8 52.475 52.475 52.846 -0.371 18716 11171 1 19 . 1 1 8 8 LEU CB C 8 44.314 44.314 43.262 1.052 18716 11172 1 19 . 1 1 8 8 LEU H H 8 7.382 7.382 7.451 -0.069 18716 11173 1 19 . 1 1 9 9 SER N N 9 118.290 118.290 119.499 -1.209 18716 11174 1 19 . 1 1 9 9 SER HA H 9 4.606 4.606 4.377 0.229 18716 11175 1 19 . 1 1 9 9 SER CA C 9 57.197 57.197 57.779 -0.582 18716 11176 1 19 . 1 1 9 9 SER CB C 9 65.426 65.426 64.660 0.766 18716 11177 1 19 . 1 1 9 9 SER H H 9 9.166 9.166 8.823 0.343 18716 11178 1 19 . 1 1 10 10 GLY N N 10 109.228 109.228 108.356 0.872 18716 11179 1 19 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.014 0.660 18716 11180 1 19 . 1 1 10 10 GLY H H 10 8.959 8.959 8.693 0.266 18716 11181 1 19 . 1 1 11 11 GLY N N 11 111.102 111.102 109.882 1.220 18716 11182 1 19 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.425 0.236 18716 11183 1 19 . 1 1 11 11 GLY H H 11 8.782 8.782 7.837 0.945 18716 11184 1 19 . 1 1 12 12 GLU N N 12 120.165 120.165 122.151 -1.986 18716 11185 1 19 . 1 1 12 12 GLU HA H 12 3.950 3.950 3.982 -0.032 18716 11186 1 19 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.836 0.260 18716 11187 1 19 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.468 1.822 18716 11188 1 19 . 1 1 12 12 GLU H H 12 7.751 7.751 7.568 0.183 18716 11189 1 19 . 1 1 13 13 LEU N N 13 121.415 121.415 121.444 -0.029 18716 11190 1 19 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.044 0.064 18716 11191 1 19 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.338 -0.276 18716 11192 1 19 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.910 -0.974 18716 11193 1 19 . 1 1 13 13 LEU H H 13 8.340 8.340 8.354 -0.014 18716 11194 1 19 . 1 1 14 14 ASP N N 14 116.415 116.415 118.872 -2.457 18716 11195 1 19 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.293 0.100 18716 11196 1 19 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.793 -0.657 18716 11197 1 19 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.997 0.089 18716 11198 1 19 . 1 1 14 14 ASP H H 14 7.574 7.574 7.785 -0.211 18716 11199 1 19 . 1 1 15 15 LYS N N 15 115.478 115.478 119.804 -4.326 18716 11200 1 19 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.038 0.008 18716 11201 1 19 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.433 -1.031 18716 11202 1 19 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.352 0.007 18716 11203 1 19 . 1 1 15 15 LYS H H 15 7.117 7.117 7.646 -0.529 18716 11204 1 19 . 1 1 16 16 TRP N N 16 121.693 121.693 121.547 0.146 18716 11205 1 19 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.158 -0.133 18716 11206 1 19 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.493 -0.207 18716 11207 1 19 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.641 1.472 18716 11208 1 19 . 1 1 16 16 TRP H H 16 8.646 8.646 8.272 0.374 18716 11209 1 19 . 1 1 17 17 GLU N N 17 127.710 127.710 116.536 11.174 18716 11210 1 19 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.333 0.358 18716 11211 1 19 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.839 -2.070 18716 11212 1 19 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.418 0.327 18716 11213 1 19 . 1 1 17 17 GLU H H 17 7.571 7.571 8.193 -0.622 18716 11214 1 19 . 1 1 18 18 LYS N N 18 115.790 115.790 118.275 -2.485 18716 11215 1 19 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.312 0.185 18716 11216 1 19 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.186 -1.617 18716 11217 1 19 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.351 0.588 18716 11218 1 19 . 1 1 18 18 LYS H H 18 7.456 7.456 7.354 0.102 18716 11219 1 19 . 1 1 19 19 ILE N N 19 124.228 124.228 120.404 3.824 18716 11220 1 19 . 1 1 19 19 ILE HA H 19 3.557 3.557 3.976 -0.419 18716 11221 1 19 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.573 -0.453 18716 11222 1 19 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.731 0.451 18716 11223 1 19 . 1 1 19 19 ILE H H 19 7.633 7.633 8.174 -0.541 18716 11224 1 19 . 1 1 20 20 ARG N N 20 125.790 125.790 123.850 1.940 18716 11225 1 19 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.459 -0.031 18716 11226 1 19 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.816 1.679 18716 11227 1 19 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.866 -0.328 18716 11228 1 19 . 1 1 20 20 ARG H H 20 8.031 8.031 8.425 -0.394 18716 11229 1 19 . 1 1 21 21 LEU N N 21 120.165 120.165 120.070 0.095 18716 11230 1 19 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.773 -0.342 18716 11231 1 19 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.799 1.436 18716 11232 1 19 . 1 1 21 21 LEU CB C 21 41.554 41.554 41.862 -0.308 18716 11233 1 19 . 1 1 21 21 LEU H H 21 7.810 7.810 8.142 -0.332 18716 11234 1 19 . 1 1 22 22 ARG N N 22 119.540 119.540 112.857 6.683 18716 11235 1 19 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.662 0.183 18716 11236 1 19 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.069 -0.225 18716 11237 1 19 . 1 1 22 22 ARG CB C 22 31.617 31.617 29.942 1.675 18716 11238 1 19 . 1 1 22 22 ARG H H 22 8.974 8.974 7.317 1.657 18716 11239 1 19 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.364 -0.004 18716 11240 1 19 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.237 -0.801 18716 11241 1 19 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.012 -0.447 18716 11242 1 19 . 1 1 24 24 GLY N N 24 112.665 112.665 108.601 4.064 18716 11243 1 19 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.431 1.374 18716 11244 1 19 . 1 1 24 24 GLY H H 24 9.138 9.138 8.113 1.025 18716 11245 1 19 . 1 1 25 25 GLY N N 25 107.978 107.978 106.708 1.270 18716 11246 1 19 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.346 0.226 18716 11247 1 19 . 1 1 25 25 GLY H H 25 8.134 8.134 7.369 0.765 18716 11248 1 19 . 1 1 26 26 LYS N N 26 117.665 117.665 119.319 -1.654 18716 11249 1 19 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.511 -0.247 18716 11250 1 19 . 1 1 26 26 LYS CA C 26 56.853 56.853 55.892 0.961 18716 11251 1 19 . 1 1 26 26 LYS CB C 26 34.056 34.056 33.142 0.913 18716 11252 1 19 . 1 1 26 26 LYS H H 26 8.665 8.665 8.327 0.338 18716 11253 1 19 . 1 1 27 27 LYS N N 27 117.925 117.925 119.540 -1.615 18716 11254 1 19 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.590 -0.279 18716 11255 1 19 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.649 1.562 18716 11256 1 19 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.577 -0.699 18716 11257 1 19 . 1 1 27 27 LYS H H 27 7.817 7.817 7.864 -0.047 18716 11258 1 19 . 1 1 28 28 GLN N N 28 122.978 122.978 120.540 2.438 18716 11259 1 19 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.317 0.499 18716 11260 1 19 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.033 -0.560 18716 11261 1 19 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.444 3.610 18716 11262 1 19 . 1 1 28 28 GLN H H 28 8.458 8.458 8.324 0.134 18716 11263 1 19 . 1 1 29 29 TYR N N 29 119.540 119.540 119.260 0.280 18716 11264 1 19 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.485 -0.753 18716 11265 1 19 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.758 2.252 18716 11266 1 19 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.383 -2.167 18716 11267 1 19 . 1 1 29 29 TYR H H 29 7.824 7.824 8.443 -0.619 18716 11268 1 19 . 1 1 30 30 LYS N N 30 117.978 117.978 120.769 -2.791 18716 11269 1 19 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.887 0.329 18716 11270 1 19 . 1 1 30 30 LYS CA C 30 54.065 54.065 55.244 -1.179 18716 11271 1 19 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.050 2.538 18716 11272 1 19 . 1 1 30 30 LYS H H 30 10.610 10.610 9.160 1.450 18716 11273 1 19 . 1 1 31 31 LEU N N 31 128.602 128.602 124.843 3.759 18716 11274 1 19 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.142 0.039 18716 11275 1 19 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.170 1.064 18716 11276 1 19 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.926 -0.924 18716 11277 1 19 . 1 1 31 31 LEU H H 31 9.991 9.991 8.820 1.171 18716 11278 1 19 . 1 1 32 32 LYS N N 32 115.165 115.165 118.493 -3.328 18716 11279 1 19 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.917 0.228 18716 11280 1 19 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.606 -0.509 18716 11281 1 19 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.879 -0.320 18716 11282 1 19 . 1 1 32 32 LYS H H 32 8.399 8.399 8.586 -0.187 18716 11283 1 19 . 1 1 33 33 HIS N N 33 119.540 119.540 116.990 2.550 18716 11284 1 19 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.667 -0.063 18716 11285 1 19 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.639 3.252 18716 11286 1 19 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.474 2.310 18716 11287 1 19 . 1 1 33 33 HIS H H 33 8.193 8.193 7.970 0.223 18716 11288 1 19 . 1 1 34 34 ILE N N 34 119.540 119.540 121.002 -1.462 18716 11289 1 19 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.893 -0.099 18716 11290 1 19 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.848 -1.000 18716 11291 1 19 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.661 -0.682 18716 11292 1 19 . 1 1 34 34 ILE H H 34 7.898 7.898 7.534 0.364 18716 11293 1 19 . 1 1 35 35 VAL N N 35 122.040 122.040 118.973 3.067 18716 11294 1 19 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.786 -0.174 18716 11295 1 19 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.938 -0.191 18716 11296 1 19 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.331 0.811 18716 11297 1 19 . 1 1 35 35 VAL H H 35 7.706 7.706 8.387 -0.681 18716 11298 1 19 . 1 1 36 36 TRP N N 36 119.986 119.986 122.684 -2.698 18716 11299 1 19 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.303 -0.070 18716 11300 1 19 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.926 0.184 18716 11301 1 19 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.236 -0.824 18716 11302 1 19 . 1 1 36 36 TRP H H 36 8.452 8.452 7.692 0.760 18716 11303 1 19 . 1 1 37 37 ALA N N 37 120.478 120.478 120.327 0.151 18716 11304 1 19 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.700 -0.308 18716 11305 1 19 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.137 -0.000 18716 11306 1 19 . 1 1 37 37 ALA CB C 37 17.430 17.430 17.987 -0.557 18716 11307 1 19 . 1 1 37 37 ALA H H 37 8.311 8.311 8.136 0.175 18716 11308 1 19 . 1 1 38 38 SER N N 38 111.415 111.415 113.431 -2.016 18716 11309 1 19 . 1 1 38 38 SER HA H 38 3.906 3.906 4.082 -0.176 18716 11310 1 19 . 1 1 38 38 SER CA C 38 62.801 62.801 62.602 0.199 18716 11311 1 19 . 1 1 38 38 SER CB C 38 62.829 62.829 62.839 -0.010 18716 11312 1 19 . 1 1 38 38 SER H H 38 8.259 8.259 7.686 0.573 18716 11313 1 19 . 1 1 39 39 ARG N N 39 119.852 119.852 120.665 -0.813 18716 11314 1 19 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.134 0.012 18716 11315 1 19 . 1 1 39 39 ARG CA C 39 58.410 58.410 58.820 -0.410 18716 11316 1 19 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.124 -0.116 18716 11317 1 19 . 1 1 39 39 ARG H H 39 7.559 7.559 7.352 0.207 18716 11318 1 19 . 1 1 40 40 GLU N N 40 121.102 121.102 118.973 2.129 18716 11319 1 19 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.954 -0.167 18716 11320 1 19 . 1 1 40 40 GLU CA C 40 58.281 58.281 57.847 0.434 18716 11321 1 19 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.876 0.798 18716 11322 1 19 . 1 1 40 40 GLU H H 40 8.222 8.222 7.705 0.517 18716 11323 1 19 . 1 1 41 41 LEU N N 41 117.040 117.040 119.436 -2.396 18716 11324 1 19 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.376 -0.416 18716 11325 1 19 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.004 1.293 18716 11326 1 19 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.572 -2.392 18716 11327 1 19 . 1 1 41 41 LEU H H 41 8.016 8.016 7.730 0.286 18716 11328 1 19 . 1 1 42 42 GLU N N 42 117.352 117.352 118.966 -1.614 18716 11329 1 19 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.107 0.020 18716 11330 1 19 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.274 0.297 18716 11331 1 19 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.432 0.233 18716 11332 1 19 . 1 1 42 42 GLU H H 42 7.559 7.559 7.962 -0.403 18716 11333 1 19 . 1 1 43 43 ARG N N 43 119.540 119.540 118.348 1.192 18716 11334 1 19 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.093 -0.066 18716 11335 1 19 . 1 1 43 43 ARG CA C 43 58.601 58.601 57.956 0.645 18716 11336 1 19 . 1 1 43 43 ARG CB C 43 29.665 29.665 29.446 0.219 18716 11337 1 19 . 1 1 43 43 ARG H H 43 7.647 7.647 7.486 0.161 18716 11338 1 19 . 1 1 44 44 PHE N N 44 117.665 117.665 119.674 -2.009 18716 11339 1 19 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.727 -0.111 18716 11340 1 19 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.427 0.998 18716 11341 1 19 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.549 0.605 18716 11342 1 19 . 1 1 44 44 PHE H H 44 7.529 7.529 7.819 -0.290 18716 11343 1 19 . 1 1 45 45 ALA N N 45 118.915 118.915 119.542 -0.627 18716 11344 1 19 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.942 0.073 18716 11345 1 19 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.340 0.074 18716 11346 1 19 . 1 1 45 45 ALA CB C 45 16.281 16.281 16.840 -0.558 18716 11347 1 19 . 1 1 45 45 ALA H H 45 7.928 7.928 7.689 0.239 18716 11348 1 19 . 1 1 46 46 VAL N N 46 119.540 119.540 118.573 0.967 18716 11349 1 19 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.155 -0.060 18716 11350 1 19 . 1 1 46 46 VAL CA C 46 60.789 60.789 61.015 -0.226 18716 11351 1 19 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.308 0.112 18716 11352 1 19 . 1 1 46 46 VAL H H 46 7.765 7.765 7.604 0.161 18716 11353 1 19 . 1 1 47 47 ASN N N 47 125.790 125.790 127.240 -1.450 18716 11354 1 19 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.719 -0.073 18716 11355 1 19 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.041 -1.044 18716 11356 1 19 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.261 0.825 18716 11357 1 19 . 1 1 47 47 ASN H H 47 8.399 8.399 8.873 -0.474 18716 11358 1 19 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.416 -0.194 18716 11359 1 19 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.542 -0.228 18716 11360 1 19 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.908 -0.168 18716 11361 1 19 . 1 1 49 49 GLY N N 49 108.290 108.290 107.772 0.518 18716 11362 1 19 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.220 0.310 18716 11363 1 19 . 1 1 49 49 GLY H H 49 8.620 8.620 8.627 -0.007 18716 11364 1 19 . 1 1 50 50 LEU N N 50 121.728 121.728 121.411 0.317 18716 11365 1 19 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.149 -0.012 18716 11366 1 19 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.058 1.241 18716 11367 1 19 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.804 -0.241 18716 11368 1 19 . 1 1 50 50 LEU H H 50 7.765 7.765 7.496 0.269 18716 11369 1 19 . 1 1 51 51 LEU N N 51 112.040 112.040 117.843 -5.803 18716 11370 1 19 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.159 0.067 18716 11371 1 19 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.975 -0.468 18716 11372 1 19 . 1 1 51 51 LEU CB C 51 42.490 42.490 41.988 0.502 18716 11373 1 19 . 1 1 51 51 LEU H H 51 7.412 7.412 7.606 -0.194 18716 11374 1 19 . 1 1 52 52 GLU N N 52 114.540 114.540 113.896 0.644 18716 11375 1 19 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.382 -0.327 18716 11376 1 19 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.169 3.215 18716 11377 1 19 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.421 1.637 18716 11378 1 19 . 1 1 52 52 GLU H H 52 7.500 7.500 7.628 -0.128 18716 11379 1 19 . 1 1 53 53 THR N N 53 122.978 122.978 110.976 12.002 18716 11380 1 19 . 1 1 53 53 THR HA H 53 4.402 4.402 4.522 -0.120 18716 11381 1 19 . 1 1 53 53 THR CA C 53 58.306 58.306 59.987 -1.681 18716 11382 1 19 . 1 1 53 53 THR CB C 53 73.222 73.222 71.691 1.531 18716 11383 1 19 . 1 1 53 53 THR H H 53 7.235 7.235 7.588 -0.353 18716 11384 1 19 . 1 1 54 54 SER N N 54 119.228 119.228 122.021 -2.793 18716 11385 1 19 . 1 1 54 54 SER HA H 54 4.043 4.043 4.278 -0.235 18716 11386 1 19 . 1 1 54 54 SER CA C 54 62.657 62.657 61.783 0.874 18716 11387 1 19 . 1 1 54 54 SER CB C 54 62.562 62.562 62.967 -0.405 18716 11388 1 19 . 1 1 54 54 SER H H 54 9.313 9.313 8.922 0.391 18716 11389 1 19 . 1 1 55 55 GLU N N 55 121.233 121.233 121.092 0.141 18716 11390 1 19 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.323 -0.254 18716 11391 1 19 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.812 0.863 18716 11392 1 19 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.614 -0.615 18716 11393 1 19 . 1 1 55 55 GLU H H 55 8.975 8.975 8.561 0.414 18716 11394 1 19 . 1 1 56 56 GLY N N 56 110.790 110.790 108.516 2.274 18716 11395 1 19 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.212 0.654 18716 11396 1 19 . 1 1 56 56 GLY H H 56 8.517 8.517 8.160 0.357 18716 11397 1 19 . 1 1 57 57 CYS N N 57 118.602 118.602 119.693 -1.091 18716 11398 1 19 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.114 -0.090 18716 11399 1 19 . 1 1 57 57 CYS CA C 57 64.602 64.602 64.359 0.242 18716 11400 1 19 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.867 19.928 18716 11401 1 19 . 1 1 57 57 CYS H H 57 8.134 8.134 8.452 -0.318 18716 11402 1 19 . 1 1 58 58 ARG N N 58 119.540 119.540 119.111 0.429 18716 11403 1 19 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.449 0.101 18716 11404 1 19 . 1 1 58 58 ARG CA C 58 59.707 59.707 58.839 0.868 18716 11405 1 19 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.704 -0.255 18716 11406 1 19 . 1 1 58 58 ARG H H 58 8.488 8.488 7.828 0.660 18716 11407 1 19 . 1 1 59 59 GLN N N 59 119.852 119.852 119.217 0.635 18716 11408 1 19 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.061 -0.009 18716 11409 1 19 . 1 1 59 59 GLN CA C 59 59.400 59.400 59.085 0.315 18716 11410 1 19 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.760 -0.526 18716 11411 1 19 . 1 1 59 59 GLN H H 59 8.016 8.016 7.537 0.479 18716 11412 1 19 . 1 1 60 60 ILE N N 60 120.790 120.790 119.837 0.953 18716 11413 1 19 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.675 -0.063 18716 11414 1 19 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.184 0.467 18716 11415 1 19 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.765 0.085 18716 11416 1 19 . 1 1 60 60 ILE H H 60 8.163 8.163 8.335 -0.172 18716 11417 1 19 . 1 1 61 61 LEU N N 61 118.915 118.915 119.181 -0.266 18716 11418 1 19 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.113 -0.218 18716 11419 1 19 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.553 1.101 18716 11420 1 19 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.282 -0.506 18716 11421 1 19 . 1 1 61 61 LEU H H 61 8.370 8.370 7.373 0.997 18716 11422 1 19 . 1 1 62 62 GLY N N 62 104.332 104.332 107.291 -2.959 18716 11423 1 19 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.877 0.307 18716 11424 1 19 . 1 1 62 62 GLY H H 62 7.883 7.883 7.677 0.206 18716 11425 1 19 . 1 1 63 63 GLN N N 63 119.852 119.852 118.952 0.900 18716 11426 1 19 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.231 -0.083 18716 11427 1 19 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.635 0.239 18716 11428 1 19 . 1 1 63 63 GLN CB C 63 29.115 29.115 28.956 0.159 18716 11429 1 19 . 1 1 63 63 GLN H H 63 7.795 7.795 7.609 0.186 18716 11430 1 19 . 1 1 64 64 LEU N N 64 117.040 117.040 119.573 -2.533 18716 11431 1 19 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.176 0.082 18716 11432 1 19 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.575 -0.392 18716 11433 1 19 . 1 1 64 64 LEU CB C 64 44.198 44.198 42.014 2.184 18716 11434 1 19 . 1 1 64 64 LEU H H 64 8.252 8.252 7.505 0.747 18716 11435 1 19 . 1 1 65 65 GLN N N 65 118.915 118.915 119.810 -0.895 18716 11436 1 19 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.803 -0.024 18716 11437 1 19 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.262 1.285 18716 11438 1 19 . 1 1 65 65 GLN CB C 65 25.864 25.864 26.330 -0.466 18716 11439 1 19 . 1 1 65 65 GLN H H 65 8.104 8.104 8.290 -0.186 18716 11440 1 19 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.314 0.069 18716 11441 1 19 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.813 1.104 18716 11442 1 19 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.072 0.027 18716 11443 1 19 . 1 1 67 67 SER N N 67 111.415 111.415 114.962 -3.547 18716 11444 1 19 . 1 1 67 67 SER HA H 67 4.493 4.493 4.258 0.235 18716 11445 1 19 . 1 1 67 67 SER CA C 67 59.696 59.696 60.543 -0.847 18716 11446 1 19 . 1 1 67 67 SER CB C 67 64.031 64.031 62.699 1.332 18716 11447 1 19 . 1 1 67 67 SER H H 67 7.824 7.824 7.528 0.296 18716 11448 1 19 . 1 1 68 68 LEU N N 68 121.102 121.102 123.262 -2.160 18716 11449 1 19 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.863 -0.047 18716 11450 1 19 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.550 0.398 18716 11451 1 19 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.219 0.550 18716 11452 1 19 . 1 1 68 68 LEU H H 68 7.647 7.647 7.917 -0.270 18716 11453 1 19 . 1 1 69 69 GLN N N 69 116.415 116.415 119.024 -2.609 18716 11454 1 19 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.064 0.005 18716 11455 1 19 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.322 0.148 18716 11456 1 19 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.964 -0.536 18716 11457 1 19 . 1 1 69 69 GLN H H 69 8.060 8.060 8.192 -0.132 18716 11458 1 19 . 1 1 70 70 THR N N 70 106.728 106.728 112.451 -5.723 18716 11459 1 19 . 1 1 70 70 THR HA H 70 4.481 4.481 4.546 -0.065 18716 11460 1 19 . 1 1 70 70 THR CA C 70 61.291 61.291 61.417 -0.126 18716 11461 1 19 . 1 1 70 70 THR CB C 70 69.415 69.415 68.931 0.484 18716 11462 1 19 . 1 1 70 70 THR H H 70 7.515 7.515 7.725 -0.210 18716 11463 1 19 . 1 1 71 71 GLY N N 71 109.540 109.540 111.259 -1.719 18716 11464 1 19 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.357 1.196 18716 11465 1 19 . 1 1 71 71 GLY H H 71 7.692 7.692 7.611 0.081 18716 11466 1 19 . 1 1 72 72 SER N N 72 114.540 114.540 114.028 0.512 18716 11467 1 19 . 1 1 72 72 SER HA H 72 4.625 4.625 4.709 -0.084 18716 11468 1 19 . 1 1 72 72 SER CA C 72 57.319 57.319 57.117 0.202 18716 11469 1 19 . 1 1 72 72 SER CB C 72 64.599 64.599 66.116 -1.517 18716 11470 1 19 . 1 1 72 72 SER H H 72 8.045 8.045 8.076 -0.031 18716 11471 1 19 . 1 1 73 73 GLU N N 73 124.228 124.228 120.899 3.329 18716 11472 1 19 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.034 0.053 18716 11473 1 19 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.315 -0.935 18716 11474 1 19 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.624 -0.322 18716 11475 1 19 . 1 1 73 73 GLU H H 73 9.092 9.092 8.940 0.152 18716 11476 1 19 . 1 1 74 74 GLU N N 74 120.165 120.165 119.588 0.577 18716 11477 1 19 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.430 -0.172 18716 11478 1 19 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.675 0.631 18716 11479 1 19 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.510 -0.048 18716 11480 1 19 . 1 1 74 74 GLU H H 74 8.665 8.665 7.872 0.793 18716 11481 1 19 . 1 1 75 75 LEU N N 75 121.415 121.415 119.995 1.420 18716 11482 1 19 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.083 0.100 18716 11483 1 19 . 1 1 75 75 LEU CA C 75 57.932 57.932 57.969 -0.037 18716 11484 1 19 . 1 1 75 75 LEU CB C 75 41.178 41.178 41.933 -0.755 18716 11485 1 19 . 1 1 75 75 LEU H H 75 7.765 7.765 7.791 -0.026 18716 11486 1 19 . 1 1 76 76 ARG N N 76 119.228 119.228 119.220 0.008 18716 11487 1 19 . 1 1 76 76 ARG HA H 76 3.933 3.933 4.094 -0.161 18716 11488 1 19 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.742 -0.060 18716 11489 1 19 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.348 -1.151 18716 11490 1 19 . 1 1 76 76 ARG H H 76 7.868 7.868 8.165 -0.297 18716 11491 1 19 . 1 1 77 77 SER N N 77 114.228 114.228 116.967 -2.739 18716 11492 1 19 . 1 1 77 77 SER HA H 77 4.263 4.263 4.263 -0.000 18716 11493 1 19 . 1 1 77 77 SER CA C 77 62.668 62.668 62.378 0.290 18716 11494 1 19 . 1 1 77 77 SER CB C 77 62.849 62.849 63.164 -0.315 18716 11495 1 19 . 1 1 77 77 SER H H 77 8.576 8.576 8.672 -0.096 18716 11496 1 19 . 1 1 78 78 LEU N N 78 125.790 125.790 122.471 3.319 18716 11497 1 19 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.288 0.133 18716 11498 1 19 . 1 1 78 78 LEU CA C 78 58.962 58.962 57.792 1.170 18716 11499 1 19 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.230 0.688 18716 11500 1 19 . 1 1 78 78 LEU H H 78 8.458 8.458 8.406 0.052 18716 11501 1 19 . 1 1 79 79 TYR N N 79 119.852 119.852 119.370 0.482 18716 11502 1 19 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.078 -0.417 18716 11503 1 19 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.699 1.103 18716 11504 1 19 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.334 0.861 18716 11505 1 19 . 1 1 79 79 TYR H H 79 8.694 8.694 7.896 0.798 18716 11506 1 19 . 1 1 80 80 ASN N N 80 117.040 117.040 117.449 -0.409 18716 11507 1 19 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.502 -0.218 18716 11508 1 19 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.830 -1.043 18716 11509 1 19 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.638 -0.799 18716 11510 1 19 . 1 1 80 80 ASN H H 80 8.871 8.871 7.837 1.034 18716 11511 1 19 . 1 1 81 81 THR N N 81 115.790 115.790 118.576 -2.786 18716 11512 1 19 . 1 1 81 81 THR HA H 81 3.945 3.945 4.272 -0.327 18716 11513 1 19 . 1 1 81 81 THR CA C 81 67.855 67.855 67.232 0.623 18716 11514 1 19 . 1 1 81 81 THR CB C 81 69.140 69.140 69.201 -0.061 18716 11515 1 19 . 1 1 81 81 THR H H 81 8.119 8.119 8.137 -0.018 18716 11516 1 19 . 1 1 82 82 ILE N N 82 121.102 121.102 120.745 0.357 18716 11517 1 19 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.799 -0.131 18716 11518 1 19 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.261 -0.741 18716 11519 1 19 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.362 -0.876 18716 11520 1 19 . 1 1 82 82 ILE H H 82 8.090 8.090 8.795 -0.705 18716 11521 1 19 . 1 1 83 83 ALA N N 83 125.165 125.165 121.446 3.719 18716 11522 1 19 . 1 1 83 83 ALA HA H 83 3.891 3.891 4.035 -0.144 18716 11523 1 19 . 1 1 83 83 ALA CA C 83 55.855 55.855 54.826 1.029 18716 11524 1 19 . 1 1 83 83 ALA CB C 83 17.841 17.841 18.232 -0.391 18716 11525 1 19 . 1 1 83 83 ALA H H 83 8.782 8.782 7.553 1.229 18716 11526 1 19 . 1 1 84 84 VAL N N 84 117.665 117.665 118.619 -0.954 18716 11527 1 19 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.841 -0.513 18716 11528 1 19 . 1 1 84 84 VAL CA C 84 67.465 67.465 65.018 2.447 18716 11529 1 19 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.543 -0.848 18716 11530 1 19 . 1 1 84 84 VAL H H 84 7.795 7.795 7.785 0.010 18716 11531 1 19 . 1 1 85 85 LEU N N 85 122.040 122.040 121.936 0.104 18716 11532 1 19 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.952 -0.137 18716 11533 1 19 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.036 0.274 18716 11534 1 19 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.526 0.622 18716 11535 1 19 . 1 1 85 85 LEU H H 85 8.163 8.163 8.201 -0.038 18716 11536 1 19 . 1 1 86 86 TYR N N 86 118.915 118.915 119.799 -0.884 18716 11537 1 19 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.027 -0.115 18716 11538 1 19 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.609 1.209 18716 11539 1 19 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.841 0.446 18716 11540 1 19 . 1 1 86 86 TYR H H 86 9.062 9.062 8.085 0.977 18716 11541 1 19 . 1 1 87 87 CYS N N 87 116.102 116.102 116.123 -0.021 18716 11542 1 19 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.674 0.120 18716 11543 1 19 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.460 1.506 18716 11544 1 19 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.474 20.083 18716 11545 1 19 . 1 1 87 87 CYS H H 87 7.515 7.515 7.865 -0.350 18716 11546 1 19 . 1 1 88 88 VAL N N 88 119.978 119.978 118.061 1.917 18716 11547 1 19 . 1 1 88 88 VAL HA H 88 3.878 3.878 4.002 -0.124 18716 11548 1 19 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.587 0.834 18716 11549 1 19 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.366 0.221 18716 11550 1 19 . 1 1 88 88 VAL H H 88 8.429 8.429 7.334 1.095 18716 11551 1 19 . 1 1 89 89 HIS N N 89 118.915 118.915 114.993 3.922 18716 11552 1 19 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.648 0.227 18716 11553 1 19 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.096 1.024 18716 11554 1 19 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.247 -0.164 18716 11555 1 19 . 1 1 89 89 HIS H H 89 8.797 8.797 7.314 1.483 18716 11556 1 19 . 1 1 90 90 GLN N N 90 116.728 116.728 118.173 -1.445 18716 11557 1 19 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.252 0.133 18716 11558 1 19 . 1 1 90 90 GLN CA C 90 55.289 55.289 54.169 1.120 18716 11559 1 19 . 1 1 90 90 GLN CB C 90 30.952 30.952 28.469 2.483 18716 11560 1 19 . 1 1 90 90 GLN H H 90 7.986 7.986 7.113 0.873 18716 11561 1 19 . 1 1 91 91 ARG N N 91 115.165 115.165 118.136 -2.971 18716 11562 1 19 . 1 1 91 91 ARG HA H 91 4.013 4.013 3.935 0.078 18716 11563 1 19 . 1 1 91 91 ARG CA C 91 57.183 57.183 57.225 -0.042 18716 11564 1 19 . 1 1 91 91 ARG CB C 91 26.049 26.049 28.040 -1.991 18716 11565 1 19 . 1 1 91 91 ARG H H 91 7.883 7.883 7.752 0.131 18716 11566 1 19 . 1 1 92 92 ILE N N 92 120.087 120.087 119.810 0.277 18716 11567 1 19 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.328 -0.343 18716 11568 1 19 . 1 1 92 92 ILE CA C 92 60.656 60.656 60.148 0.508 18716 11569 1 19 . 1 1 92 92 ILE CB C 92 38.930 38.930 40.639 -1.709 18716 11570 1 19 . 1 1 92 92 ILE H H 92 8.335 8.335 8.204 0.131 18716 11571 1 19 . 1 1 93 93 ASP N N 93 129.228 129.228 123.716 5.512 18716 11572 1 19 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.821 -0.336 18716 11573 1 19 . 1 1 93 93 ASP CA C 93 55.043 55.043 53.142 1.901 18716 11574 1 19 . 1 1 93 93 ASP CB C 93 40.396 40.396 41.920 -1.524 18716 11575 1 19 . 1 1 93 93 ASP H H 93 8.620 8.620 8.407 0.213 18716 11576 1 19 . 1 1 94 94 VAL N N 94 115.790 115.790 117.904 -2.114 18716 11577 1 19 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.569 0.064 18716 11578 1 19 . 1 1 94 94 VAL CA C 94 59.120 59.120 58.975 0.145 18716 11579 1 19 . 1 1 94 94 VAL CB C 94 35.512 35.512 34.618 0.894 18716 11580 1 19 . 1 1 94 94 VAL H H 94 7.751 7.751 8.238 -0.487 18716 11581 1 19 . 1 1 95 95 LYS N N 95 118.915 118.915 118.341 0.574 18716 11582 1 19 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.478 -0.085 18716 11583 1 19 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.134 -0.463 18716 11584 1 19 . 1 1 95 95 LYS CB C 95 34.008 34.008 34.157 -0.149 18716 11585 1 19 . 1 1 95 95 LYS H H 95 9.239 9.239 8.677 0.562 18716 11586 1 19 . 1 1 96 96 ASP N N 96 112.040 112.040 114.970 -2.930 18716 11587 1 19 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.418 0.144 18716 11588 1 19 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.791 0.038 18716 11589 1 19 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.105 1.499 18716 11590 1 19 . 1 1 96 96 ASP H H 96 7.412 7.412 7.720 -0.308 18716 11591 1 19 . 1 1 97 97 THR N N 97 109.540 109.540 113.605 -4.065 18716 11592 1 19 . 1 1 97 97 THR HA H 97 3.661 3.661 4.238 -0.577 18716 11593 1 19 . 1 1 97 97 THR CA C 97 65.947 65.947 65.363 0.584 18716 11594 1 19 . 1 1 97 97 THR CB C 97 70.285 70.285 69.099 1.186 18716 11595 1 19 . 1 1 97 97 THR H H 97 7.250 7.250 8.262 -1.012 18716 11596 1 19 . 1 1 98 98 LYS N N 98 121.102 121.102 122.349 -1.247 18716 11597 1 19 . 1 1 98 98 LYS HA H 98 3.945 3.945 4.067 -0.122 18716 11598 1 19 . 1 1 98 98 LYS CA C 98 59.628 59.628 58.892 0.736 18716 11599 1 19 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.823 0.104 18716 11600 1 19 . 1 1 98 98 LYS H H 98 7.868 7.868 8.331 -0.463 18716 11601 1 19 . 1 1 99 99 GLU N N 99 119.228 119.228 119.725 -0.497 18716 11602 1 19 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.373 -0.296 18716 11603 1 19 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.112 0.683 18716 11604 1 19 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.824 0.422 18716 11605 1 19 . 1 1 99 99 GLU H H 99 8.384 8.384 8.705 -0.321 18716 11606 1 19 . 1 1 100 100 ALA N N 100 118.915 118.915 122.440 -3.525 18716 11607 1 19 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.074 0.312 18716 11608 1 19 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.992 0.404 18716 11609 1 19 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.228 1.531 18716 11610 1 19 . 1 1 100 100 ALA H H 100 7.382 7.382 7.569 -0.187 18716 11611 1 19 . 1 1 101 101 LEU N N 101 117.978 117.978 116.974 1.004 18716 11612 1 19 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.114 -0.094 18716 11613 1 19 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.499 0.476 18716 11614 1 19 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.215 0.278 18716 11615 1 19 . 1 1 101 101 LEU H H 101 8.119 8.119 7.606 0.513 18716 11616 1 19 . 1 1 102 102 ASP N N 102 120.478 120.478 119.874 0.604 18716 11617 1 19 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.417 -0.050 18716 11618 1 19 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.337 0.015 18716 11619 1 19 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.343 -0.621 18716 11620 1 19 . 1 1 102 102 ASP H H 102 8.679 8.679 8.028 0.651 18716 11621 1 19 . 1 1 103 103 LYS N N 103 120.165 120.165 119.916 0.249 18716 11622 1 19 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.138 0.026 18716 11623 1 19 . 1 1 103 103 LYS CA C 103 58.364 58.364 58.937 -0.573 18716 11624 1 19 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.465 -0.933 18716 11625 1 19 . 1 1 103 103 LYS H H 103 8.207 8.207 7.733 0.474 18716 11626 1 19 . 1 1 104 104 ILE N N 104 119.852 119.852 119.192 0.660 18716 11627 1 19 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.821 -0.011 18716 11628 1 19 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.223 -0.615 18716 11629 1 19 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.820 -0.386 18716 11630 1 19 . 1 1 104 104 ILE H H 104 8.163 8.163 7.605 0.558 18716 11631 1 19 . 1 1 105 105 GLU N N 105 121.415 121.415 119.617 1.798 18716 11632 1 19 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.980 0.055 18716 11633 1 19 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.815 -0.181 18716 11634 1 19 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.324 3.432 18716 11635 1 19 . 1 1 105 105 GLU H H 105 8.001 8.001 8.028 -0.027 18716 11636 1 19 . 1 1 106 106 GLU N N 106 119.228 119.228 118.852 0.376 18716 11637 1 19 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.157 -0.067 18716 11638 1 19 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.002 0.265 18716 11639 1 19 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.489 0.108 18716 11640 1 19 . 1 1 106 106 GLU H H 106 8.031 8.031 7.725 0.306 18716 11641 1 19 . 1 1 107 107 GLU N N 107 118.915 118.915 118.633 0.282 18716 11642 1 19 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.238 -0.165 18716 11643 1 19 . 1 1 107 107 GLU CA C 107 59.341 59.341 58.901 0.440 18716 11644 1 19 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.791 0.079 18716 11645 1 19 . 1 1 107 107 GLU H H 107 8.016 8.016 7.516 0.500 18716 11646 1 19 . 1 1 108 108 GLN N N 108 118.290 118.290 119.203 -0.913 18716 11647 1 19 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.120 0.027 18716 11648 1 19 . 1 1 108 108 GLN CA C 108 58.407 58.407 59.093 -0.686 18716 11649 1 19 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.824 0.021 18716 11650 1 19 . 1 1 108 108 GLN H H 108 8.252 8.252 8.452 -0.200 18716 11651 1 19 . 1 1 109 109 ASN N N 109 118.290 118.290 118.440 -0.150 18716 11652 1 19 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.423 0.194 18716 11653 1 19 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.072 -1.190 18716 11654 1 19 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.172 0.353 18716 11655 1 19 . 1 1 109 109 ASN H H 109 8.252 8.252 8.175 0.077 18716 11656 1 19 . 1 1 110 110 LYS N N 110 120.478 120.478 119.176 1.302 18716 11657 1 19 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.112 0.118 18716 11658 1 19 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.202 -0.891 18716 11659 1 19 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.460 0.231 18716 11660 1 19 . 1 1 110 110 LYS H H 110 8.031 8.031 7.922 0.109 18716 11661 1 19 . 1 1 111 111 SER N N 111 114.540 114.540 113.330 1.210 18716 11662 1 19 . 1 1 111 111 SER HA H 111 4.368 4.368 4.428 -0.060 18716 11663 1 19 . 1 1 111 111 SER CA C 111 59.764 59.764 60.422 -0.658 18716 11664 1 19 . 1 1 111 111 SER CB C 111 63.442 63.442 63.275 0.168 18716 11665 1 19 . 1 1 111 111 SER H H 111 8.031 8.031 7.782 0.249 18716 11666 1 19 . 1 1 112 112 LYS N N 112 122.040 122.040 121.705 0.335 18716 11667 1 19 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.105 0.140 18716 11668 1 19 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.159 -1.830 18716 11669 1 19 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.501 0.274 18716 11670 1 19 . 1 1 112 112 LYS H H 112 7.957 7.957 8.057 -0.100 18716 11671 1 19 . 1 1 113 113 LYS N N 113 120.790 120.790 118.826 1.964 18716 11672 1 19 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.140 0.010 18716 11673 1 19 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.423 0.711 18716 11674 1 19 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.770 -0.004 18716 11675 1 19 . 1 1 113 113 LYS H H 113 8.016 8.016 7.546 0.470 18716 11676 1 19 . 1 1 114 114 LYS N N 114 121.728 121.728 118.233 3.495 18716 11677 1 19 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.394 -0.131 18716 11678 1 19 . 1 1 114 114 LYS CA C 114 57.185 57.185 56.027 1.158 18716 11679 1 19 . 1 1 114 114 LYS CB C 114 32.857 32.857 31.763 1.094 18716 11680 1 19 . 1 1 114 114 LYS H H 114 8.119 8.119 7.332 0.787 18716 11681 1 19 . 1 1 115 115 ALA N N 115 124.228 124.228 121.720 2.508 18716 11682 1 19 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.548 -0.280 18716 11683 1 19 . 1 1 115 115 ALA CA C 115 53.035 53.035 51.889 1.147 18716 11684 1 19 . 1 1 115 115 ALA CB C 115 19.038 19.038 19.168 -0.130 18716 11685 1 19 . 1 1 115 115 ALA H H 115 8.178 8.178 7.580 0.598 18716 11686 1 19 . 1 1 116 116 GLN N N 116 119.228 119.228 118.994 0.234 18716 11687 1 19 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.244 0.004 18716 11688 1 19 . 1 1 116 116 GLN CA C 116 56.549 56.549 57.972 -1.423 18716 11689 1 19 . 1 1 116 116 GLN H H 116 8.237 8.237 8.396 -0.159 18716 11690 1 19 . 1 1 117 117 GLN N N 117 120.478 120.478 119.326 1.152 18716 11691 1 19 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.086 0.183 18716 11692 1 19 . 1 1 117 117 GLN CA C 117 56.324 56.324 58.014 -1.690 18716 11693 1 19 . 1 1 117 117 GLN CB C 117 29.606 29.606 27.851 1.755 18716 11694 1 19 . 1 1 117 117 GLN H H 117 8.266 8.266 8.495 -0.229 18716 11695 1 19 . 1 1 118 118 ALA N N 118 124.852 124.852 119.898 4.954 18716 11696 1 19 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.051 0.225 18716 11697 1 19 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.726 -0.889 18716 11698 1 19 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.845 0.217 18716 11699 1 19 . 1 1 118 118 ALA H H 118 8.266 8.266 8.057 0.209 18716 11700 1 19 . 1 1 119 119 ALA N N 119 122.978 122.978 120.379 2.599 18716 11701 1 19 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.522 -0.228 18716 11702 1 19 . 1 1 119 119 ALA CA C 119 52.637 52.637 50.529 2.108 18716 11703 1 19 . 1 1 119 119 ALA CB C 119 19.201 19.201 20.463 -1.262 18716 11704 1 19 . 1 1 119 119 ALA H H 119 8.163 8.163 7.608 0.555 18716 11705 1 19 . 1 1 120 120 ALA N N 120 122.665 122.665 119.330 3.335 18716 11706 1 19 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.002 0.275 18716 11707 1 19 . 1 1 120 120 ALA CA C 120 52.736 52.736 53.475 -0.739 18716 11708 1 19 . 1 1 120 120 ALA CB C 120 19.167 19.167 17.413 1.754 18716 11709 1 19 . 1 1 120 120 ALA H H 120 8.163 8.163 8.660 -0.497 18716 11710 1 19 . 1 1 121 121 ASP N N 121 119.228 119.228 117.658 1.570 18716 11711 1 19 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.701 -0.019 18716 11712 1 19 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.144 0.120 18716 11713 1 19 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.720 -0.592 18716 11714 1 19 . 1 1 121 121 ASP H H 121 8.252 8.252 8.608 -0.356 18716 11715 1 19 . 1 1 122 122 THR N N 122 113.602 113.602 114.600 -0.998 18716 11716 1 19 . 1 1 122 122 THR HA H 122 4.358 4.358 4.383 -0.025 18716 11717 1 19 . 1 1 122 122 THR CA C 122 61.971 61.971 61.912 0.059 18716 11718 1 19 . 1 1 122 122 THR CB C 122 69.586 69.586 69.783 -0.197 18716 11719 1 19 . 1 1 122 122 THR H H 122 8.075 8.075 7.884 0.191 18716 11720 1 19 . 1 1 123 123 GLY N N 123 110.478 110.478 108.014 2.464 18716 11721 1 19 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.222 0.381 18716 11722 1 19 . 1 1 123 123 GLY H H 123 8.414 8.414 8.151 0.263 18716 11723 1 19 . 1 1 124 124 ASN N N 124 118.602 118.602 118.818 -0.216 18716 11724 1 19 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.461 0.147 18716 11725 1 19 . 1 1 124 124 ASN CA C 124 54.733 54.733 53.186 1.547 18716 11726 1 19 . 1 1 124 124 ASN CB C 124 38.538 38.538 37.713 0.825 18716 11727 1 19 . 1 1 124 124 ASN H H 124 8.266 8.266 8.416 -0.150 18716 11728 1 19 . 1 1 125 125 ASN N N 125 119.228 119.228 118.305 0.923 18716 11729 1 19 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.824 -0.100 18716 11730 1 19 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.080 0.374 18716 11731 1 19 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.572 -0.759 18716 11732 1 19 . 1 1 125 125 ASN H H 125 8.443 8.443 8.213 0.230 18716 11733 1 19 . 1 1 126 126 SER N N 126 115.790 115.790 119.702 -3.912 18716 11734 1 19 . 1 1 126 126 SER HA H 126 4.388 4.388 4.641 -0.253 18716 11735 1 19 . 1 1 126 126 SER CA C 126 58.851 58.851 57.752 1.099 18716 11736 1 19 . 1 1 126 126 SER CB C 126 63.926 63.926 65.002 -1.076 18716 11737 1 19 . 1 1 126 126 SER H H 126 8.266 8.266 8.451 -0.185 18716 11738 1 19 . 1 1 127 127 GLN N N 127 121.728 121.728 121.253 0.475 18716 11739 1 19 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.351 -0.028 18716 11740 1 19 . 1 1 127 127 GLN CA C 127 56.223 56.223 56.058 0.165 18716 11741 1 19 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.459 -0.291 18716 11742 1 19 . 1 1 127 127 GLN H H 127 8.355 8.355 8.527 -0.172 18716 11743 1 19 . 1 1 128 128 VAL N N 128 119.852 119.852 120.818 -0.966 18716 11744 1 19 . 1 1 128 128 VAL HA H 128 4.109 4.109 3.967 0.142 18716 11745 1 19 . 1 1 128 128 VAL CA C 128 62.665 62.665 63.469 -0.804 18716 11746 1 19 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.234 0.535 18716 11747 1 19 . 1 1 128 128 VAL H H 128 7.986 7.986 8.323 -0.337 18716 11748 1 19 . 1 1 129 129 SER N N 129 117.978 117.978 114.105 3.873 18716 11749 1 19 . 1 1 129 129 SER HA H 129 4.136 4.136 4.259 -0.123 18716 11750 1 19 . 1 1 129 129 SER CA C 129 58.404 58.404 59.182 -0.778 18716 11751 1 19 . 1 1 129 129 SER CB C 129 63.755 63.755 62.322 1.433 18716 11752 1 19 . 1 1 129 129 SER H H 129 8.252 8.252 8.170 0.082 18716 11753 1 19 . 1 1 130 130 GLN N N 130 121.728 121.728 119.517 2.211 18716 11754 1 19 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.403 -0.048 18716 11755 1 19 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.209 0.941 18716 11756 1 19 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.575 -0.202 18716 11757 1 19 . 1 1 130 130 GLN H H 130 8.355 8.355 7.961 0.394 18716 11758 1 19 . 1 1 131 131 ASN N N 131 118.290 118.290 118.425 -0.135 18716 11759 1 19 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.679 -0.047 18716 11760 1 19 . 1 1 131 131 ASN CA C 131 53.568 53.568 54.031 -0.463 18716 11761 1 19 . 1 1 131 131 ASN H H 131 8.252 8.252 8.483 -0.231 18716 11762 1 20 . 1 1 3 3 ALA N N 3 123.842 123.842 123.919 -0.077 18716 11763 1 20 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.669 -0.341 18716 11764 1 20 . 1 1 3 3 ALA CA C 3 52.537 52.537 51.871 0.666 18716 11765 1 20 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.328 -2.076 18716 11766 1 20 . 1 1 3 3 ALA H H 3 8.183 8.183 7.937 0.246 18716 11767 1 20 . 1 1 4 4 ARG N N 4 120.165 120.165 122.479 -2.314 18716 11768 1 20 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.380 -0.124 18716 11769 1 20 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.734 0.231 18716 11770 1 20 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.002 -0.041 18716 11771 1 20 . 1 1 4 4 ARG H H 4 8.429 8.429 8.468 -0.039 18716 11772 1 20 . 1 1 5 5 ALA N N 5 125.165 125.165 123.622 1.543 18716 11773 1 20 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.552 -0.270 18716 11774 1 20 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.399 0.972 18716 11775 1 20 . 1 1 5 5 ALA CB C 5 19.672 19.672 21.117 -1.445 18716 11776 1 20 . 1 1 5 5 ALA H H 5 8.370 8.370 8.131 0.239 18716 11777 1 20 . 1 1 6 6 SER N N 6 114.540 114.540 115.531 -0.991 18716 11778 1 20 . 1 1 6 6 SER HA H 6 4.479 4.479 4.131 0.348 18716 11779 1 20 . 1 1 6 6 SER CA C 6 57.804 57.804 58.350 -0.546 18716 11780 1 20 . 1 1 6 6 SER CB C 6 64.034 64.034 63.824 0.210 18716 11781 1 20 . 1 1 6 6 SER H H 6 8.134 8.134 8.371 -0.237 18716 11782 1 20 . 1 1 7 7 VAL N N 7 121.415 121.415 118.900 2.515 18716 11783 1 20 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.900 -0.283 18716 11784 1 20 . 1 1 7 7 VAL CA C 7 65.711 65.711 64.214 1.497 18716 11785 1 20 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.130 -0.194 18716 11786 1 20 . 1 1 7 7 VAL H H 7 8.119 8.119 8.101 0.018 18716 11787 1 20 . 1 1 8 8 LEU N N 8 115.478 115.478 117.478 -2.000 18716 11788 1 20 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.722 0.192 18716 11789 1 20 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.018 -0.543 18716 11790 1 20 . 1 1 8 8 LEU CB C 8 44.314 44.314 43.464 0.850 18716 11791 1 20 . 1 1 8 8 LEU H H 8 7.382 7.382 7.830 -0.448 18716 11792 1 20 . 1 1 9 9 SER N N 9 118.290 118.290 119.218 -0.928 18716 11793 1 20 . 1 1 9 9 SER HA H 9 4.606 4.606 4.374 0.232 18716 11794 1 20 . 1 1 9 9 SER CA C 9 57.197 57.197 57.951 -0.754 18716 11795 1 20 . 1 1 9 9 SER CB C 9 65.426 65.426 64.545 0.881 18716 11796 1 20 . 1 1 9 9 SER H H 9 9.166 9.166 8.813 0.353 18716 11797 1 20 . 1 1 10 10 GLY N N 10 109.228 109.228 108.371 0.857 18716 11798 1 20 . 1 1 10 10 GLY CA C 10 47.674 47.674 47.086 0.589 18716 11799 1 20 . 1 1 10 10 GLY H H 10 8.959 8.959 8.629 0.330 18716 11800 1 20 . 1 1 11 11 GLY N N 11 111.102 111.102 109.734 1.368 18716 11801 1 20 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.423 0.238 18716 11802 1 20 . 1 1 11 11 GLY H H 11 8.782 8.782 7.767 1.015 18716 11803 1 20 . 1 1 12 12 GLU N N 12 120.165 120.165 121.949 -1.784 18716 11804 1 20 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.052 -0.102 18716 11805 1 20 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.514 0.582 18716 11806 1 20 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.443 1.847 18716 11807 1 20 . 1 1 12 12 GLU H H 12 7.751 7.751 7.617 0.134 18716 11808 1 20 . 1 1 13 13 LEU N N 13 121.415 121.415 121.936 -0.521 18716 11809 1 20 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.088 0.020 18716 11810 1 20 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.246 -0.184 18716 11811 1 20 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.813 -0.877 18716 11812 1 20 . 1 1 13 13 LEU H H 13 8.340 8.340 8.266 0.074 18716 11813 1 20 . 1 1 14 14 ASP N N 14 116.415 116.415 119.957 -3.542 18716 11814 1 20 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.314 0.079 18716 11815 1 20 . 1 1 14 14 ASP CA C 14 57.136 57.136 58.138 -1.002 18716 11816 1 20 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.605 0.481 18716 11817 1 20 . 1 1 14 14 ASP H H 14 7.574 7.574 7.825 -0.251 18716 11818 1 20 . 1 1 15 15 LYS N N 15 115.478 115.478 119.876 -4.398 18716 11819 1 20 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.084 -0.038 18716 11820 1 20 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.392 -0.990 18716 11821 1 20 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.347 0.012 18716 11822 1 20 . 1 1 15 15 LYS H H 15 7.117 7.117 7.692 -0.575 18716 11823 1 20 . 1 1 16 16 TRP N N 16 121.693 121.693 121.385 0.308 18716 11824 1 20 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.169 -0.144 18716 11825 1 20 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.407 -0.121 18716 11826 1 20 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.649 1.464 18716 11827 1 20 . 1 1 16 16 TRP H H 16 8.646 8.646 7.988 0.658 18716 11828 1 20 . 1 1 17 17 GLU N N 17 127.710 127.710 116.825 10.885 18716 11829 1 20 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.339 0.352 18716 11830 1 20 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.953 -2.184 18716 11831 1 20 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.421 0.324 18716 11832 1 20 . 1 1 17 17 GLU H H 17 7.571 7.571 8.334 -0.763 18716 11833 1 20 . 1 1 18 18 LYS N N 18 115.790 115.790 118.462 -2.672 18716 11834 1 20 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.171 0.326 18716 11835 1 20 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.846 -2.277 18716 11836 1 20 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.290 0.649 18716 11837 1 20 . 1 1 18 18 LYS H H 18 7.456 7.456 7.401 0.055 18716 11838 1 20 . 1 1 19 19 ILE N N 19 124.228 124.228 118.979 5.249 18716 11839 1 20 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.080 -0.523 18716 11840 1 20 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.478 -0.359 18716 11841 1 20 . 1 1 19 19 ILE CB C 19 38.182 38.182 37.805 0.377 18716 11842 1 20 . 1 1 19 19 ILE H H 19 7.633 7.633 7.977 -0.344 18716 11843 1 20 . 1 1 20 20 ARG N N 20 125.790 125.790 123.284 2.506 18716 11844 1 20 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.489 -0.061 18716 11845 1 20 . 1 1 20 20 ARG CA C 20 56.495 56.495 54.688 1.807 18716 11846 1 20 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.882 -0.345 18716 11847 1 20 . 1 1 20 20 ARG H H 20 8.031 8.031 7.812 0.219 18716 11848 1 20 . 1 1 21 21 LEU N N 21 120.165 120.165 120.239 -0.074 18716 11849 1 20 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.847 -0.416 18716 11850 1 20 . 1 1 21 21 LEU CA C 21 58.235 58.235 56.919 1.315 18716 11851 1 20 . 1 1 21 21 LEU CB C 21 41.554 41.554 41.944 -0.390 18716 11852 1 20 . 1 1 21 21 LEU H H 21 7.810 7.810 8.309 -0.499 18716 11853 1 20 . 1 1 22 22 ARG N N 22 119.540 119.540 115.373 4.167 18716 11854 1 20 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.661 0.184 18716 11855 1 20 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.387 -0.543 18716 11856 1 20 . 1 1 22 22 ARG CB C 22 31.617 31.617 32.551 -0.934 18716 11857 1 20 . 1 1 22 22 ARG H H 22 8.974 8.974 7.452 1.522 18716 11858 1 20 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.380 -0.020 18716 11859 1 20 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.710 -1.274 18716 11860 1 20 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.101 -0.536 18716 11861 1 20 . 1 1 24 24 GLY N N 24 112.665 112.665 106.174 6.491 18716 11862 1 20 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.011 1.794 18716 11863 1 20 . 1 1 24 24 GLY H H 24 9.138 9.138 8.032 1.106 18716 11864 1 20 . 1 1 25 25 GLY N N 25 107.978 107.978 107.175 0.803 18716 11865 1 20 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.255 0.317 18716 11866 1 20 . 1 1 25 25 GLY H H 25 8.134 8.134 7.275 0.859 18716 11867 1 20 . 1 1 26 26 LYS N N 26 117.665 117.665 119.213 -1.548 18716 11868 1 20 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.491 -0.227 18716 11869 1 20 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.567 0.286 18716 11870 1 20 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.613 1.443 18716 11871 1 20 . 1 1 26 26 LYS H H 26 8.665 8.665 8.309 0.356 18716 11872 1 20 . 1 1 27 27 LYS N N 27 117.925 117.925 118.943 -1.018 18716 11873 1 20 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.532 -0.221 18716 11874 1 20 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.424 1.787 18716 11875 1 20 . 1 1 27 27 LYS CB C 27 33.878 33.878 35.354 -1.476 18716 11876 1 20 . 1 1 27 27 LYS H H 27 7.817 7.817 7.656 0.161 18716 11877 1 20 . 1 1 28 28 GLN N N 28 122.978 122.978 119.452 3.526 18716 11878 1 20 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.339 0.477 18716 11879 1 20 . 1 1 28 28 GLN CA C 28 54.473 54.473 54.758 -0.285 18716 11880 1 20 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.292 3.762 18716 11881 1 20 . 1 1 28 28 GLN H H 28 8.458 8.458 8.295 0.163 18716 11882 1 20 . 1 1 29 29 TYR N N 29 119.540 119.540 119.459 0.081 18716 11883 1 20 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.515 -0.783 18716 11884 1 20 . 1 1 29 29 TYR CA C 29 61.010 61.010 58.981 2.029 18716 11885 1 20 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.390 -2.174 18716 11886 1 20 . 1 1 29 29 TYR H H 29 7.824 7.824 8.536 -0.712 18716 11887 1 20 . 1 1 30 30 LYS N N 30 117.978 117.978 120.310 -2.332 18716 11888 1 20 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.917 0.299 18716 11889 1 20 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.948 -0.883 18716 11890 1 20 . 1 1 30 30 LYS CB C 30 38.588 38.588 35.864 2.724 18716 11891 1 20 . 1 1 30 30 LYS H H 30 10.610 10.610 9.158 1.452 18716 11892 1 20 . 1 1 31 31 LEU N N 31 128.602 128.602 122.874 5.728 18716 11893 1 20 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.072 0.109 18716 11894 1 20 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.359 0.875 18716 11895 1 20 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.637 -0.635 18716 11896 1 20 . 1 1 31 31 LEU H H 31 9.991 9.991 9.008 0.983 18716 11897 1 20 . 1 1 32 32 LYS N N 32 115.165 115.165 119.427 -4.262 18716 11898 1 20 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.940 0.205 18716 11899 1 20 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.337 -0.240 18716 11900 1 20 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.928 -0.369 18716 11901 1 20 . 1 1 32 32 LYS H H 32 8.399 8.399 8.559 -0.160 18716 11902 1 20 . 1 1 33 33 HIS N N 33 119.540 119.540 116.676 2.864 18716 11903 1 20 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.713 -0.109 18716 11904 1 20 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.438 3.453 18716 11905 1 20 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.409 2.375 18716 11906 1 20 . 1 1 33 33 HIS H H 33 8.193 8.193 7.891 0.302 18716 11907 1 20 . 1 1 34 34 ILE N N 34 119.540 119.540 120.633 -1.093 18716 11908 1 20 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.890 -0.096 18716 11909 1 20 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.678 -0.830 18716 11910 1 20 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.741 -0.762 18716 11911 1 20 . 1 1 34 34 ILE H H 34 7.898 7.898 7.555 0.343 18716 11912 1 20 . 1 1 35 35 VAL N N 35 122.040 122.040 118.862 3.178 18716 11913 1 20 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.888 -0.276 18716 11914 1 20 . 1 1 35 35 VAL CA C 35 66.746 66.746 65.598 1.148 18716 11915 1 20 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.303 0.839 18716 11916 1 20 . 1 1 35 35 VAL H H 35 7.706 7.706 8.496 -0.790 18716 11917 1 20 . 1 1 36 36 TRP N N 36 119.986 119.986 122.310 -2.324 18716 11918 1 20 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.250 -0.017 18716 11919 1 20 . 1 1 36 36 TRP CA C 36 62.110 62.110 61.981 0.129 18716 11920 1 20 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.350 -0.938 18716 11921 1 20 . 1 1 36 36 TRP H H 36 8.452 8.452 7.843 0.609 18716 11922 1 20 . 1 1 37 37 ALA N N 37 120.478 120.478 119.734 0.744 18716 11923 1 20 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.674 -0.282 18716 11924 1 20 . 1 1 37 37 ALA CA C 37 55.137 55.137 54.802 0.335 18716 11925 1 20 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.229 -0.799 18716 11926 1 20 . 1 1 37 37 ALA H H 37 8.311 8.311 8.137 0.174 18716 11927 1 20 . 1 1 38 38 SER N N 38 111.415 111.415 115.117 -3.702 18716 11928 1 20 . 1 1 38 38 SER HA H 38 3.906 3.906 4.041 -0.135 18716 11929 1 20 . 1 1 38 38 SER CA C 38 62.801 62.801 62.411 0.390 18716 11930 1 20 . 1 1 38 38 SER CB C 38 62.829 62.829 63.040 -0.211 18716 11931 1 20 . 1 1 38 38 SER H H 38 8.259 8.259 7.594 0.665 18716 11932 1 20 . 1 1 39 39 ARG N N 39 119.852 119.852 121.522 -1.670 18716 11933 1 20 . 1 1 39 39 ARG HA H 39 4.146 4.146 3.971 0.175 18716 11934 1 20 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.497 -1.087 18716 11935 1 20 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.332 -0.324 18716 11936 1 20 . 1 1 39 39 ARG H H 39 7.559 7.559 7.550 0.009 18716 11937 1 20 . 1 1 40 40 GLU N N 40 121.102 121.102 119.434 1.668 18716 11938 1 20 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.789 -0.002 18716 11939 1 20 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.486 -0.205 18716 11940 1 20 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.841 0.833 18716 11941 1 20 . 1 1 40 40 GLU H H 40 8.222 8.222 7.494 0.728 18716 11942 1 20 . 1 1 41 41 LEU N N 41 117.040 117.040 120.214 -3.174 18716 11943 1 20 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.045 -0.085 18716 11944 1 20 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.802 0.495 18716 11945 1 20 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.065 -1.885 18716 11946 1 20 . 1 1 41 41 LEU H H 41 8.016 8.016 7.845 0.171 18716 11947 1 20 . 1 1 42 42 GLU N N 42 117.352 117.352 118.916 -1.564 18716 11948 1 20 . 1 1 42 42 GLU HA H 42 4.127 4.127 3.979 0.148 18716 11949 1 20 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.017 0.554 18716 11950 1 20 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.289 0.376 18716 11951 1 20 . 1 1 42 42 GLU H H 42 7.559 7.559 7.752 -0.193 18716 11952 1 20 . 1 1 43 43 ARG N N 43 119.540 119.540 118.836 0.704 18716 11953 1 20 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.004 0.023 18716 11954 1 20 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.273 0.328 18716 11955 1 20 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.116 -0.451 18716 11956 1 20 . 1 1 43 43 ARG H H 43 7.647 7.647 7.189 0.458 18716 11957 1 20 . 1 1 44 44 PHE N N 44 117.665 117.665 118.252 -0.587 18716 11958 1 20 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.645 -0.029 18716 11959 1 20 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.424 1.001 18716 11960 1 20 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.142 1.012 18716 11961 1 20 . 1 1 44 44 PHE H H 44 7.529 7.529 7.608 -0.079 18716 11962 1 20 . 1 1 45 45 ALA N N 45 118.915 118.915 119.672 -0.757 18716 11963 1 20 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.960 0.055 18716 11964 1 20 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.239 0.175 18716 11965 1 20 . 1 1 45 45 ALA CB C 45 16.281 16.281 17.147 -0.866 18716 11966 1 20 . 1 1 45 45 ALA H H 45 7.928 7.928 7.719 0.209 18716 11967 1 20 . 1 1 46 46 VAL N N 46 119.540 119.540 119.230 0.310 18716 11968 1 20 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.208 -0.113 18716 11969 1 20 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.216 0.573 18716 11970 1 20 . 1 1 46 46 VAL CB C 46 33.420 33.420 32.572 0.848 18716 11971 1 20 . 1 1 46 46 VAL H H 46 7.765 7.765 7.641 0.124 18716 11972 1 20 . 1 1 47 47 ASN N N 47 125.790 125.790 127.560 -1.770 18716 11973 1 20 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.712 -0.066 18716 11974 1 20 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.668 -1.671 18716 11975 1 20 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.496 0.590 18716 11976 1 20 . 1 1 47 47 ASN H H 47 8.399 8.399 8.825 -0.426 18716 11977 1 20 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.406 -0.184 18716 11978 1 20 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.659 -0.345 18716 11979 1 20 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.926 -0.186 18716 11980 1 20 . 1 1 49 49 GLY N N 49 108.290 108.290 107.537 0.753 18716 11981 1 20 . 1 1 49 49 GLY CA C 49 46.530 46.530 46.277 0.253 18716 11982 1 20 . 1 1 49 49 GLY H H 49 8.620 8.620 8.655 -0.035 18716 11983 1 20 . 1 1 50 50 LEU N N 50 121.728 121.728 121.575 0.153 18716 11984 1 20 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.137 0.000 18716 11985 1 20 . 1 1 50 50 LEU CA C 50 57.299 57.299 56.071 1.228 18716 11986 1 20 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.863 -0.300 18716 11987 1 20 . 1 1 50 50 LEU H H 50 7.765 7.765 7.519 0.246 18716 11988 1 20 . 1 1 51 51 LEU N N 51 112.040 112.040 118.171 -6.131 18716 11989 1 20 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.143 0.083 18716 11990 1 20 . 1 1 51 51 LEU CA C 51 56.507 56.507 57.389 -0.882 18716 11991 1 20 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.197 0.293 18716 11992 1 20 . 1 1 51 51 LEU H H 51 7.412 7.412 7.668 -0.256 18716 11993 1 20 . 1 1 52 52 GLU N N 52 114.540 114.540 113.710 0.830 18716 11994 1 20 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.384 -0.329 18716 11995 1 20 . 1 1 52 52 GLU CA C 52 58.384 58.384 55.140 3.244 18716 11996 1 20 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.417 1.641 18716 11997 1 20 . 1 1 52 52 GLU H H 52 7.500 7.500 7.506 -0.006 18716 11998 1 20 . 1 1 53 53 THR N N 53 122.978 122.978 110.881 12.097 18716 11999 1 20 . 1 1 53 53 THR HA H 53 4.402 4.402 4.570 -0.168 18716 12000 1 20 . 1 1 53 53 THR CA C 53 58.306 58.306 60.572 -2.266 18716 12001 1 20 . 1 1 53 53 THR CB C 53 73.222 73.222 71.644 1.578 18716 12002 1 20 . 1 1 53 53 THR H H 53 7.235 7.235 7.636 -0.401 18716 12003 1 20 . 1 1 54 54 SER N N 54 119.228 119.228 121.554 -2.326 18716 12004 1 20 . 1 1 54 54 SER HA H 54 4.043 4.043 4.298 -0.255 18716 12005 1 20 . 1 1 54 54 SER CA C 54 62.657 62.657 61.418 1.239 18716 12006 1 20 . 1 1 54 54 SER CB C 54 62.562 62.562 62.846 -0.284 18716 12007 1 20 . 1 1 54 54 SER H H 54 9.313 9.313 8.939 0.374 18716 12008 1 20 . 1 1 55 55 GLU N N 55 121.233 121.233 120.714 0.519 18716 12009 1 20 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.360 -0.291 18716 12010 1 20 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.740 0.935 18716 12011 1 20 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.400 -0.401 18716 12012 1 20 . 1 1 55 55 GLU H H 55 8.975 8.975 8.476 0.499 18716 12013 1 20 . 1 1 56 56 GLY N N 56 110.790 110.790 108.625 2.165 18716 12014 1 20 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.149 0.717 18716 12015 1 20 . 1 1 56 56 GLY H H 56 8.517 8.517 8.177 0.340 18716 12016 1 20 . 1 1 57 57 CYS N N 57 118.602 118.602 118.960 -0.358 18716 12017 1 20 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.133 -0.109 18716 12018 1 20 . 1 1 57 57 CYS CA C 57 64.602 64.602 64.038 0.564 18716 12019 1 20 . 1 1 57 57 CYS CB C 57 47.795 47.795 28.004 19.791 18716 12020 1 20 . 1 1 57 57 CYS H H 57 8.134 8.134 8.609 -0.475 18716 12021 1 20 . 1 1 58 58 ARG N N 58 119.540 119.540 119.147 0.393 18716 12022 1 20 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.556 -0.006 18716 12023 1 20 . 1 1 58 58 ARG CA C 58 59.707 59.707 58.946 0.761 18716 12024 1 20 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.911 -0.462 18716 12025 1 20 . 1 1 58 58 ARG H H 58 8.488 8.488 7.575 0.913 18716 12026 1 20 . 1 1 59 59 GLN N N 59 119.852 119.852 119.581 0.271 18716 12027 1 20 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.013 0.039 18716 12028 1 20 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.975 0.425 18716 12029 1 20 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.602 -0.368 18716 12030 1 20 . 1 1 59 59 GLN H H 59 8.016 8.016 7.604 0.412 18716 12031 1 20 . 1 1 60 60 ILE N N 60 120.790 120.790 118.749 2.041 18716 12032 1 20 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.728 -0.116 18716 12033 1 20 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.073 0.578 18716 12034 1 20 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.890 -0.040 18716 12035 1 20 . 1 1 60 60 ILE H H 60 8.163 8.163 8.169 -0.006 18716 12036 1 20 . 1 1 61 61 LEU N N 61 118.915 118.915 118.172 0.743 18716 12037 1 20 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.246 -0.351 18716 12038 1 20 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.049 1.605 18716 12039 1 20 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.378 -0.602 18716 12040 1 20 . 1 1 61 61 LEU H H 61 8.370 8.370 7.719 0.651 18716 12041 1 20 . 1 1 62 62 GLY N N 62 104.332 104.332 106.238 -1.906 18716 12042 1 20 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.632 0.552 18716 12043 1 20 . 1 1 62 62 GLY H H 62 7.883 7.883 7.938 -0.055 18716 12044 1 20 . 1 1 63 63 GLN N N 63 119.852 119.852 119.094 0.758 18716 12045 1 20 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.314 -0.166 18716 12046 1 20 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.546 0.327 18716 12047 1 20 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.458 -0.343 18716 12048 1 20 . 1 1 63 63 GLN H H 63 7.795 7.795 7.394 0.402 18716 12049 1 20 . 1 1 64 64 LEU N N 64 117.040 117.040 119.097 -2.057 18716 12050 1 20 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.068 0.190 18716 12051 1 20 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.330 -0.147 18716 12052 1 20 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.826 2.372 18716 12053 1 20 . 1 1 64 64 LEU H H 64 8.252 8.252 7.464 0.788 18716 12054 1 20 . 1 1 65 65 GLN N N 65 118.915 118.915 118.157 0.758 18716 12055 1 20 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.785 -0.006 18716 12056 1 20 . 1 1 65 65 GLN CA C 65 61.547 61.547 59.515 2.032 18716 12057 1 20 . 1 1 65 65 GLN CB C 65 25.864 25.864 27.750 -1.886 18716 12058 1 20 . 1 1 65 65 GLN H H 65 8.104 8.104 7.976 0.128 18716 12059 1 20 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.284 0.099 18716 12060 1 20 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.544 1.373 18716 12061 1 20 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.271 -0.172 18716 12062 1 20 . 1 1 67 67 SER N N 67 111.415 111.415 112.509 -1.094 18716 12063 1 20 . 1 1 67 67 SER HA H 67 4.493 4.493 4.622 -0.129 18716 12064 1 20 . 1 1 67 67 SER CA C 67 59.696 59.696 56.237 3.459 18716 12065 1 20 . 1 1 67 67 SER CB C 67 64.031 64.031 62.690 1.341 18716 12066 1 20 . 1 1 67 67 SER H H 67 7.824 7.824 7.446 0.378 18716 12067 1 20 . 1 1 68 68 LEU N N 68 121.102 121.102 121.000 0.102 18716 12068 1 20 . 1 1 68 68 LEU HA H 68 3.816 3.816 4.026 -0.210 18716 12069 1 20 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.326 0.622 18716 12070 1 20 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.833 -0.064 18716 12071 1 20 . 1 1 68 68 LEU H H 68 7.647 7.647 7.312 0.335 18716 12072 1 20 . 1 1 69 69 GLN N N 69 116.415 116.415 118.120 -1.705 18716 12073 1 20 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.188 -0.119 18716 12074 1 20 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.009 0.461 18716 12075 1 20 . 1 1 69 69 GLN CB C 69 28.428 28.428 29.235 -0.807 18716 12076 1 20 . 1 1 69 69 GLN H H 69 8.060 8.060 8.438 -0.378 18716 12077 1 20 . 1 1 70 70 THR N N 70 106.728 106.728 111.334 -4.606 18716 12078 1 20 . 1 1 70 70 THR HA H 70 4.481 4.481 4.474 0.007 18716 12079 1 20 . 1 1 70 70 THR CA C 70 61.291 61.291 61.193 0.098 18716 12080 1 20 . 1 1 70 70 THR CB C 70 69.415 69.415 68.598 0.817 18716 12081 1 20 . 1 1 70 70 THR H H 70 7.515 7.515 8.004 -0.489 18716 12082 1 20 . 1 1 71 71 GLY N N 71 109.540 109.540 109.323 0.217 18716 12083 1 20 . 1 1 71 71 GLY CA C 71 45.553 45.553 43.838 1.715 18716 12084 1 20 . 1 1 71 71 GLY H H 71 7.692 7.692 7.385 0.307 18716 12085 1 20 . 1 1 72 72 SER N N 72 114.540 114.540 114.588 -0.048 18716 12086 1 20 . 1 1 72 72 SER HA H 72 4.625 4.625 4.675 -0.050 18716 12087 1 20 . 1 1 72 72 SER CA C 72 57.319 57.319 56.997 0.322 18716 12088 1 20 . 1 1 72 72 SER CB C 72 64.599 64.599 65.966 -1.367 18716 12089 1 20 . 1 1 72 72 SER H H 72 8.045 8.045 8.021 0.024 18716 12090 1 20 . 1 1 73 73 GLU N N 73 124.228 124.228 121.161 3.067 18716 12091 1 20 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.034 0.053 18716 12092 1 20 . 1 1 73 73 GLU CA C 73 59.380 59.380 60.440 -1.060 18716 12093 1 20 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.558 -0.256 18716 12094 1 20 . 1 1 73 73 GLU H H 73 9.092 9.092 9.042 0.050 18716 12095 1 20 . 1 1 74 74 GLU N N 74 120.165 120.165 119.257 0.908 18716 12096 1 20 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.427 -0.169 18716 12097 1 20 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.104 1.202 18716 12098 1 20 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.095 0.367 18716 12099 1 20 . 1 1 74 74 GLU H H 74 8.665 8.665 8.567 0.098 18716 12100 1 20 . 1 1 75 75 LEU N N 75 121.415 121.415 121.039 0.376 18716 12101 1 20 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.038 0.145 18716 12102 1 20 . 1 1 75 75 LEU CA C 75 57.932 57.932 58.197 -0.265 18716 12103 1 20 . 1 1 75 75 LEU CB C 75 41.178 41.178 41.971 -0.793 18716 12104 1 20 . 1 1 75 75 LEU H H 75 7.765 7.765 7.584 0.181 18716 12105 1 20 . 1 1 76 76 ARG N N 76 119.228 119.228 118.853 0.375 18716 12106 1 20 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.922 0.011 18716 12107 1 20 . 1 1 76 76 ARG CA C 76 59.682 59.682 59.891 -0.209 18716 12108 1 20 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.110 -0.913 18716 12109 1 20 . 1 1 76 76 ARG H H 76 7.868 7.868 8.241 -0.373 18716 12110 1 20 . 1 1 77 77 SER N N 77 114.228 114.228 115.655 -1.427 18716 12111 1 20 . 1 1 77 77 SER HA H 77 4.263 4.263 4.296 -0.033 18716 12112 1 20 . 1 1 77 77 SER CA C 77 62.668 62.668 61.929 0.739 18716 12113 1 20 . 1 1 77 77 SER CB C 77 62.849 62.849 62.784 0.065 18716 12114 1 20 . 1 1 77 77 SER H H 77 8.576 8.576 8.021 0.555 18716 12115 1 20 . 1 1 78 78 LEU N N 78 125.790 125.790 123.202 2.588 18716 12116 1 20 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.303 0.118 18716 12117 1 20 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.239 0.723 18716 12118 1 20 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.176 0.742 18716 12119 1 20 . 1 1 78 78 LEU H H 78 8.458 8.458 8.336 0.122 18716 12120 1 20 . 1 1 79 79 TYR N N 79 119.852 119.852 119.412 0.440 18716 12121 1 20 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.092 -0.431 18716 12122 1 20 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.771 1.031 18716 12123 1 20 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.309 0.886 18716 12124 1 20 . 1 1 79 79 TYR H H 79 8.694 8.694 8.664 0.030 18716 12125 1 20 . 1 1 80 80 ASN N N 80 117.040 117.040 116.112 0.928 18716 12126 1 20 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.563 -0.279 18716 12127 1 20 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.117 -0.330 18716 12128 1 20 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.379 -0.540 18716 12129 1 20 . 1 1 80 80 ASN H H 80 8.871 8.871 8.009 0.862 18716 12130 1 20 . 1 1 81 81 THR N N 81 115.790 115.790 118.143 -2.353 18716 12131 1 20 . 1 1 81 81 THR HA H 81 3.945 3.945 4.371 -0.426 18716 12132 1 20 . 1 1 81 81 THR CA C 81 67.855 67.855 66.465 1.390 18716 12133 1 20 . 1 1 81 81 THR CB C 81 69.140 69.140 69.476 -0.336 18716 12134 1 20 . 1 1 81 81 THR H H 81 8.119 8.119 7.868 0.251 18716 12135 1 20 . 1 1 82 82 ILE N N 82 121.102 121.102 121.850 -0.748 18716 12136 1 20 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.789 -0.121 18716 12137 1 20 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.615 -1.095 18716 12138 1 20 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.404 -0.918 18716 12139 1 20 . 1 1 82 82 ILE H H 82 8.090 8.090 8.607 -0.517 18716 12140 1 20 . 1 1 83 83 ALA N N 83 125.165 125.165 121.703 3.462 18716 12141 1 20 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.952 -0.061 18716 12142 1 20 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.202 0.653 18716 12143 1 20 . 1 1 83 83 ALA CB C 83 17.841 17.841 18.075 -0.234 18716 12144 1 20 . 1 1 83 83 ALA H H 83 8.782 8.782 7.662 1.120 18716 12145 1 20 . 1 1 84 84 VAL N N 84 117.665 117.665 118.283 -0.618 18716 12146 1 20 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.744 -0.416 18716 12147 1 20 . 1 1 84 84 VAL CA C 84 67.465 67.465 65.511 1.954 18716 12148 1 20 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.127 -0.432 18716 12149 1 20 . 1 1 84 84 VAL H H 84 7.795 7.795 7.659 0.136 18716 12150 1 20 . 1 1 85 85 LEU N N 85 122.040 122.040 122.076 -0.036 18716 12151 1 20 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.995 -0.180 18716 12152 1 20 . 1 1 85 85 LEU CA C 85 58.310 58.310 57.734 0.576 18716 12153 1 20 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.727 0.421 18716 12154 1 20 . 1 1 85 85 LEU H H 85 8.163 8.163 8.417 -0.254 18716 12155 1 20 . 1 1 86 86 TYR N N 86 118.915 118.915 120.185 -1.270 18716 12156 1 20 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.024 -0.112 18716 12157 1 20 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.690 1.128 18716 12158 1 20 . 1 1 86 86 TYR CB C 86 38.287 38.287 37.892 0.395 18716 12159 1 20 . 1 1 86 86 TYR H H 86 9.062 9.062 8.410 0.652 18716 12160 1 20 . 1 1 87 87 CYS N N 87 116.102 116.102 115.963 0.139 18716 12161 1 20 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.797 -0.003 18716 12162 1 20 . 1 1 87 87 CYS CA C 87 65.966 65.966 64.463 1.503 18716 12163 1 20 . 1 1 87 87 CYS CB C 87 46.557 46.557 27.041 19.516 18716 12164 1 20 . 1 1 87 87 CYS H H 87 7.515 7.515 7.776 -0.261 18716 12165 1 20 . 1 1 88 88 VAL N N 88 119.978 119.978 118.911 1.067 18716 12166 1 20 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.789 0.089 18716 12167 1 20 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.836 0.585 18716 12168 1 20 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.617 -0.030 18716 12169 1 20 . 1 1 88 88 VAL H H 88 8.429 8.429 7.395 1.034 18716 12170 1 20 . 1 1 89 89 HIS N N 89 118.915 118.915 115.081 3.834 18716 12171 1 20 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.577 0.298 18716 12172 1 20 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.435 0.685 18716 12173 1 20 . 1 1 89 89 HIS CB C 89 29.083 29.083 28.845 0.238 18716 12174 1 20 . 1 1 89 89 HIS H H 89 8.797 8.797 7.114 1.683 18716 12175 1 20 . 1 1 90 90 GLN N N 90 116.728 116.728 117.947 -1.219 18716 12176 1 20 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.239 0.146 18716 12177 1 20 . 1 1 90 90 GLN CA C 90 55.289 55.289 56.990 -1.701 18716 12178 1 20 . 1 1 90 90 GLN CB C 90 30.952 30.952 29.875 1.077 18716 12179 1 20 . 1 1 90 90 GLN H H 90 7.986 7.986 7.583 0.403 18716 12180 1 20 . 1 1 91 91 ARG N N 91 115.165 115.165 116.646 -1.481 18716 12181 1 20 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.322 -0.309 18716 12182 1 20 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.155 1.028 18716 12183 1 20 . 1 1 91 91 ARG CB C 91 26.049 26.049 31.828 -5.779 18716 12184 1 20 . 1 1 91 91 ARG H H 91 7.883 7.883 7.679 0.204 18716 12185 1 20 . 1 1 92 92 ILE N N 92 120.087 120.087 122.233 -2.146 18716 12186 1 20 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.090 -0.105 18716 12187 1 20 . 1 1 92 92 ILE CA C 92 60.656 60.656 62.480 -1.823 18716 12188 1 20 . 1 1 92 92 ILE CB C 92 38.930 38.930 38.309 0.620 18716 12189 1 20 . 1 1 92 92 ILE H H 92 8.335 8.335 7.767 0.568 18716 12190 1 20 . 1 1 93 93 ASP N N 93 129.228 129.228 128.032 1.196 18716 12191 1 20 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.743 -0.258 18716 12192 1 20 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.001 3.042 18716 12193 1 20 . 1 1 93 93 ASP CB C 93 40.396 40.396 39.925 0.471 18716 12194 1 20 . 1 1 93 93 ASP H H 93 8.620 8.620 8.517 0.103 18716 12195 1 20 . 1 1 94 94 VAL N N 94 115.790 115.790 115.577 0.213 18716 12196 1 20 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.167 0.466 18716 12197 1 20 . 1 1 94 94 VAL CA C 94 59.120 59.120 61.941 -2.821 18716 12198 1 20 . 1 1 94 94 VAL CB C 94 35.512 35.512 32.133 3.379 18716 12199 1 20 . 1 1 94 94 VAL H H 94 7.751 7.751 7.391 0.360 18716 12200 1 20 . 1 1 95 95 LYS N N 95 118.915 118.915 119.747 -0.832 18716 12201 1 20 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.358 0.035 18716 12202 1 20 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.203 -0.532 18716 12203 1 20 . 1 1 95 95 LYS CB C 95 34.008 34.008 34.468 -0.460 18716 12204 1 20 . 1 1 95 95 LYS H H 95 9.239 9.239 8.647 0.592 18716 12205 1 20 . 1 1 96 96 ASP N N 96 112.040 112.040 113.098 -1.058 18716 12206 1 20 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.169 0.393 18716 12207 1 20 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.272 0.557 18716 12208 1 20 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.641 0.963 18716 12209 1 20 . 1 1 96 96 ASP H H 96 7.412 7.412 7.472 -0.060 18716 12210 1 20 . 1 1 97 97 THR N N 97 109.540 109.540 114.065 -4.525 18716 12211 1 20 . 1 1 97 97 THR HA H 97 3.661 3.661 4.003 -0.342 18716 12212 1 20 . 1 1 97 97 THR CA C 97 65.947 65.947 66.770 -0.823 18716 12213 1 20 . 1 1 97 97 THR CB C 97 70.285 70.285 68.982 1.303 18716 12214 1 20 . 1 1 97 97 THR H H 97 7.250 7.250 8.252 -1.002 18716 12215 1 20 . 1 1 98 98 LYS N N 98 121.102 121.102 122.165 -1.063 18716 12216 1 20 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.964 -0.019 18716 12217 1 20 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.574 0.054 18716 12218 1 20 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.868 0.059 18716 12219 1 20 . 1 1 98 98 LYS H H 98 7.868 7.868 8.231 -0.363 18716 12220 1 20 . 1 1 99 99 GLU N N 99 119.228 119.228 118.484 0.744 18716 12221 1 20 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.015 0.062 18716 12222 1 20 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.686 0.109 18716 12223 1 20 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.500 0.746 18716 12224 1 20 . 1 1 99 99 GLU H H 99 8.384 8.384 8.632 -0.248 18716 12225 1 20 . 1 1 100 100 ALA N N 100 118.915 118.915 121.372 -2.457 18716 12226 1 20 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.119 0.267 18716 12227 1 20 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.930 0.466 18716 12228 1 20 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.378 1.381 18716 12229 1 20 . 1 1 100 100 ALA H H 100 7.382 7.382 7.662 -0.280 18716 12230 1 20 . 1 1 101 101 LEU N N 101 117.978 117.978 119.596 -1.618 18716 12231 1 20 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.125 -0.105 18716 12232 1 20 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.772 0.203 18716 12233 1 20 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.020 0.473 18716 12234 1 20 . 1 1 101 101 LEU H H 101 8.119 8.119 7.878 0.241 18716 12235 1 20 . 1 1 102 102 ASP N N 102 120.478 120.478 119.980 0.498 18716 12236 1 20 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.368 -0.001 18716 12237 1 20 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.450 -0.098 18716 12238 1 20 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.688 -0.966 18716 12239 1 20 . 1 1 102 102 ASP H H 102 8.679 8.679 8.057 0.622 18716 12240 1 20 . 1 1 103 103 LYS N N 103 120.165 120.165 119.194 0.971 18716 12241 1 20 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.044 0.120 18716 12242 1 20 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.333 -0.969 18716 12243 1 20 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.389 -0.857 18716 12244 1 20 . 1 1 103 103 LYS H H 103 8.207 8.207 8.082 0.125 18716 12245 1 20 . 1 1 104 104 ILE N N 104 119.852 119.852 118.967 0.885 18716 12246 1 20 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.771 0.039 18716 12247 1 20 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.415 -0.807 18716 12248 1 20 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.983 -0.549 18716 12249 1 20 . 1 1 104 104 ILE H H 104 8.163 8.163 7.628 0.535 18716 12250 1 20 . 1 1 105 105 GLU N N 105 121.415 121.415 120.517 0.898 18716 12251 1 20 . 1 1 105 105 GLU HA H 105 4.035 4.035 3.923 0.112 18716 12252 1 20 . 1 1 105 105 GLU CA C 105 59.634 59.634 60.045 -0.411 18716 12253 1 20 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.419 3.337 18716 12254 1 20 . 1 1 105 105 GLU H H 105 8.001 8.001 8.459 -0.458 18716 12255 1 20 . 1 1 106 106 GLU N N 106 119.228 119.228 118.893 0.335 18716 12256 1 20 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.088 0.002 18716 12257 1 20 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.304 -0.037 18716 12258 1 20 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.724 -0.127 18716 12259 1 20 . 1 1 106 106 GLU H H 106 8.031 8.031 8.347 -0.316 18716 12260 1 20 . 1 1 107 107 GLU N N 107 118.915 118.915 119.199 -0.284 18716 12261 1 20 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.114 -0.041 18716 12262 1 20 . 1 1 107 107 GLU CA C 107 59.341 59.341 58.931 0.409 18716 12263 1 20 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.286 0.584 18716 12264 1 20 . 1 1 107 107 GLU H H 107 8.016 8.016 7.754 0.262 18716 12265 1 20 . 1 1 108 108 GLN N N 108 118.290 118.290 119.152 -0.862 18716 12266 1 20 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.176 -0.029 18716 12267 1 20 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.312 0.095 18716 12268 1 20 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.813 0.032 18716 12269 1 20 . 1 1 108 108 GLN H H 108 8.252 8.252 7.644 0.608 18716 12270 1 20 . 1 1 109 109 ASN N N 109 118.290 118.290 117.793 0.497 18716 12271 1 20 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.431 0.186 18716 12272 1 20 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.255 -1.373 18716 12273 1 20 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.565 -0.040 18716 12274 1 20 . 1 1 109 109 ASN H H 109 8.252 8.252 8.005 0.247 18716 12275 1 20 . 1 1 110 110 LYS N N 110 120.478 120.478 119.387 1.091 18716 12276 1 20 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.126 0.104 18716 12277 1 20 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.050 -0.738 18716 12278 1 20 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.643 0.048 18716 12279 1 20 . 1 1 110 110 LYS H H 110 8.031 8.031 7.773 0.258 18716 12280 1 20 . 1 1 111 111 SER N N 111 114.540 114.540 114.974 -0.434 18716 12281 1 20 . 1 1 111 111 SER HA H 111 4.368 4.368 4.193 0.175 18716 12282 1 20 . 1 1 111 111 SER CA C 111 59.764 59.764 61.136 -1.372 18716 12283 1 20 . 1 1 111 111 SER CB C 111 63.442 63.442 63.077 0.365 18716 12284 1 20 . 1 1 111 111 SER H H 111 8.031 8.031 7.629 0.402 18716 12285 1 20 . 1 1 112 112 LYS N N 112 122.040 122.040 122.080 -0.040 18716 12286 1 20 . 1 1 112 112 LYS HA H 112 4.245 4.245 3.928 0.317 18716 12287 1 20 . 1 1 112 112 LYS CA C 112 57.329 57.329 59.815 -2.486 18716 12288 1 20 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.467 0.308 18716 12289 1 20 . 1 1 112 112 LYS H H 112 7.957 7.957 7.818 0.139 18716 12290 1 20 . 1 1 113 113 LYS N N 113 120.790 120.790 117.264 3.526 18716 12291 1 20 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.036 0.114 18716 12292 1 20 . 1 1 113 113 LYS CA C 113 59.134 59.134 59.374 -0.240 18716 12293 1 20 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.019 0.747 18716 12294 1 20 . 1 1 113 113 LYS H H 113 8.016 8.016 7.824 0.192 18716 12295 1 20 . 1 1 114 114 LYS N N 114 121.728 121.728 118.816 2.912 18716 12296 1 20 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.080 0.183 18716 12297 1 20 . 1 1 114 114 LYS CA C 114 57.185 57.185 59.154 -1.969 18716 12298 1 20 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.593 0.264 18716 12299 1 20 . 1 1 114 114 LYS H H 114 8.119 8.119 7.616 0.503 18716 12300 1 20 . 1 1 115 115 ALA N N 115 124.228 124.228 121.052 3.176 18716 12301 1 20 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.179 0.089 18716 12302 1 20 . 1 1 115 115 ALA CA C 115 53.035 53.035 54.595 -1.560 18716 12303 1 20 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.495 0.543 18716 12304 1 20 . 1 1 115 115 ALA H H 115 8.178 8.178 7.859 0.319 18716 12305 1 20 . 1 1 116 116 GLN N N 116 119.228 119.228 115.056 4.172 18716 12306 1 20 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.530 -0.282 18716 12307 1 20 . 1 1 116 116 GLN CA C 116 56.549 56.549 55.267 1.282 18716 12308 1 20 . 1 1 116 116 GLN H H 116 8.237 8.237 7.721 0.516 18716 12309 1 20 . 1 1 117 117 GLN N N 117 120.478 120.478 119.486 0.992 18716 12310 1 20 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.249 0.020 18716 12311 1 20 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.775 -1.451 18716 12312 1 20 . 1 1 117 117 GLN CB C 117 29.606 29.606 29.214 0.392 18716 12313 1 20 . 1 1 117 117 GLN H H 117 8.266 8.266 7.932 0.334 18716 12314 1 20 . 1 1 118 118 ALA N N 118 124.852 124.852 121.713 3.139 18716 12315 1 20 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.054 0.222 18716 12316 1 20 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.888 -1.051 18716 12317 1 20 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.579 0.483 18716 12318 1 20 . 1 1 118 118 ALA H H 118 8.266 8.266 8.571 -0.305 18716 12319 1 20 . 1 1 119 119 ALA N N 119 122.978 122.978 119.334 3.644 18716 12320 1 20 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.486 -0.192 18716 12321 1 20 . 1 1 119 119 ALA CA C 119 52.637 52.637 50.651 1.986 18716 12322 1 20 . 1 1 119 119 ALA CB C 119 19.201 19.201 19.888 -0.687 18716 12323 1 20 . 1 1 119 119 ALA H H 119 8.163 8.163 7.579 0.584 18716 12324 1 20 . 1 1 120 120 ALA N N 120 122.665 122.665 119.611 3.054 18716 12325 1 20 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.063 0.214 18716 12326 1 20 . 1 1 120 120 ALA CA C 120 52.736 52.736 53.367 -0.631 18716 12327 1 20 . 1 1 120 120 ALA CB C 120 19.167 19.167 17.389 1.778 18716 12328 1 20 . 1 1 120 120 ALA H H 120 8.163 8.163 8.530 -0.367 18716 12329 1 20 . 1 1 121 121 ASP N N 121 119.228 119.228 118.109 1.119 18716 12330 1 20 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.742 -0.060 18716 12331 1 20 . 1 1 121 121 ASP CA C 121 54.264 54.264 53.896 0.368 18716 12332 1 20 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.051 0.077 18716 12333 1 20 . 1 1 121 121 ASP H H 121 8.252 8.252 8.808 -0.556 18716 12334 1 20 . 1 1 122 122 THR N N 122 113.602 113.602 111.560 2.042 18716 12335 1 20 . 1 1 122 122 THR HA H 122 4.358 4.358 4.910 -0.552 18716 12336 1 20 . 1 1 122 122 THR CA C 122 61.971 61.971 60.999 0.972 18716 12337 1 20 . 1 1 122 122 THR CB C 122 69.586 69.586 71.565 -1.979 18716 12338 1 20 . 1 1 122 122 THR H H 122 8.075 8.075 7.876 0.199 18716 12339 1 20 . 1 1 123 123 GLY N N 123 110.478 110.478 109.742 0.736 18716 12340 1 20 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.510 0.093 18716 12341 1 20 . 1 1 123 123 GLY H H 123 8.414 8.414 8.172 0.242 18716 12342 1 20 . 1 1 124 124 ASN N N 124 118.602 118.602 120.351 -1.749 18716 12343 1 20 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.655 -0.047 18716 12344 1 20 . 1 1 124 124 ASN CA C 124 54.733 54.733 53.063 1.670 18716 12345 1 20 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.303 -0.765 18716 12346 1 20 . 1 1 124 124 ASN H H 124 8.266 8.266 8.312 -0.046 18716 12347 1 20 . 1 1 125 125 ASN N N 125 119.228 119.228 117.879 1.349 18716 12348 1 20 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.537 0.187 18716 12349 1 20 . 1 1 125 125 ASN CA C 125 53.453 53.453 55.059 -1.606 18716 12350 1 20 . 1 1 125 125 ASN CB C 125 38.813 38.813 38.709 0.104 18716 12351 1 20 . 1 1 125 125 ASN H H 125 8.443 8.443 8.554 -0.111 18716 12352 1 20 . 1 1 126 126 SER N N 126 115.790 115.790 116.272 -0.482 18716 12353 1 20 . 1 1 126 126 SER HA H 126 4.388 4.388 4.527 -0.139 18716 12354 1 20 . 1 1 126 126 SER CA C 126 58.851 58.851 58.837 0.014 18716 12355 1 20 . 1 1 126 126 SER CB C 126 63.926 63.926 63.252 0.674 18716 12356 1 20 . 1 1 126 126 SER H H 126 8.266 8.266 8.034 0.232 18716 12357 1 20 . 1 1 127 127 GLN N N 127 121.728 121.728 124.062 -2.334 18716 12358 1 20 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.581 -0.258 18716 12359 1 20 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.831 0.392 18716 12360 1 20 . 1 1 127 127 GLN CB C 127 29.168 29.168 31.220 -2.052 18716 12361 1 20 . 1 1 127 127 GLN H H 127 8.355 8.355 8.361 -0.006 18716 12362 1 20 . 1 1 128 128 VAL N N 128 119.852 119.852 119.260 0.592 18716 12363 1 20 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.486 -0.377 18716 12364 1 20 . 1 1 128 128 VAL CA C 128 62.665 62.665 60.781 1.884 18716 12365 1 20 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.645 0.124 18716 12366 1 20 . 1 1 128 128 VAL H H 128 7.986 7.986 8.274 -0.288 18716 12367 1 20 . 1 1 129 129 SER N N 129 117.978 117.978 118.018 -0.040 18716 12368 1 20 . 1 1 129 129 SER HA H 129 4.136 4.136 4.598 -0.462 18716 12369 1 20 . 1 1 129 129 SER CA C 129 58.404 58.404 58.652 -0.248 18716 12370 1 20 . 1 1 129 129 SER CB C 129 63.755 63.755 61.898 1.857 18716 12371 1 20 . 1 1 129 129 SER H H 129 8.252 8.252 8.622 -0.370 18716 12372 1 20 . 1 1 130 130 GLN N N 130 121.728 121.728 122.102 -0.374 18716 12373 1 20 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.411 -0.056 18716 12374 1 20 . 1 1 130 130 GLN CA C 130 56.150 56.150 56.648 -0.498 18716 12375 1 20 . 1 1 130 130 GLN CB C 130 29.373 29.373 30.276 -0.903 18716 12376 1 20 . 1 1 130 130 GLN H H 130 8.355 8.355 7.742 0.613 18716 12377 1 20 . 1 1 131 131 ASN N N 131 118.290 118.290 121.728 -3.438 18716 12378 1 20 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.785 -0.153 18716 12379 1 20 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.613 -0.045 18716 12380 1 20 . 1 1 131 131 ASN H H 131 8.252 8.252 8.707 -0.455 18716 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 126 2.727 -0.068 2.737 18716 2 1 1 "Average Difference" HA 138 0.223 0.040 0.220 18716 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18716 4 1 1 "Average Difference" CA 129 0.969 -0.298 0.925 18716 5 1 1 "Average Difference" CB 118 2.822 -0.501 2.788 18716 6 1 1 "Average Difference" HN 126 0.496 -0.167 0.469 18716 7 1 2 "Average Difference" N 126 2.501 -0.057 2.510 18716 8 1 2 "Average Difference" HA 138 0.230 0.018 0.230 18716 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18716 10 1 2 "Average Difference" CA 129 1.175 -0.082 1.177 18716 11 1 2 "Average Difference" CB 118 2.917 -0.475 2.890 18716 12 1 2 "Average Difference" HN 126 0.500 -0.166 0.474 18716 13 1 3 "Average Difference" N 126 2.763 -0.064 2.774 18716 14 1 3 "Average Difference" HA 138 0.225 0.023 0.224 18716 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18716 16 1 3 "Average Difference" CA 129 1.192 -0.227 1.175 18716 17 1 3 "Average Difference" CB 118 2.892 -0.447 2.870 18716 18 1 3 "Average Difference" HN 126 0.533 -0.168 0.508 18716 19 1 4 "Average Difference" N 126 2.601 -0.022 2.611 18716 20 1 4 "Average Difference" HA 138 0.221 0.010 0.221 18716 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18716 22 1 4 "Average Difference" CA 129 1.040 -0.116 1.037 18716 23 1 4 "Average Difference" CB 118 2.782 -0.444 2.758 18716 24 1 4 "Average Difference" HN 126 0.495 -0.137 0.477 18716 25 1 5 "Average Difference" N 126 2.623 0.037 2.633 18716 26 1 5 "Average Difference" HA 138 0.214 0.027 0.213 18716 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18716 28 1 5 "Average Difference" CA 129 0.874 -0.151 0.864 18716 29 1 5 "Average Difference" CB 118 2.789 -0.400 2.772 18716 30 1 5 "Average Difference" HN 126 0.494 -0.142 0.475 18716 31 1 6 "Average Difference" N 126 2.720 -0.196 2.724 18716 32 1 6 "Average Difference" HA 138 0.225 -0.001 0.226 18716 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18716 34 1 6 "Average Difference" CA 129 1.059 0.027 1.063 18716 35 1 6 "Average Difference" CB 118 2.875 -0.538 2.836 18716 36 1 6 "Average Difference" HN 126 0.509 -0.159 0.486 18716 37 1 7 "Average Difference" N 126 2.671 -0.050 2.681 18716 38 1 7 "Average Difference" HA 138 0.233 0.026 0.233 18716 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18716 40 1 7 "Average Difference" CA 129 1.199 -0.211 1.185 18716 41 1 7 "Average Difference" CB 118 2.890 -0.428 2.870 18716 42 1 7 "Average Difference" HN 126 0.505 -0.168 0.478 18716 43 1 8 "Average Difference" N 126 2.588 -0.031 2.598 18716 44 1 8 "Average Difference" HA 138 0.230 0.012 0.231 18716 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18716 46 1 8 "Average Difference" CA 129 1.032 -0.145 1.026 18716 47 1 8 "Average Difference" CB 118 2.808 -0.470 2.780 18716 48 1 8 "Average Difference" HN 126 0.508 -0.143 0.490 18716 49 1 9 "Average Difference" N 126 2.753 0.005 2.764 18716 50 1 9 "Average Difference" HA 138 0.227 0.026 0.226 18716 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18716 52 1 9 "Average Difference" CA 129 1.047 -0.147 1.041 18716 53 1 9 "Average Difference" CB 118 2.811 -0.525 2.773 18716 54 1 9 "Average Difference" HN 126 0.515 -0.149 0.494 18716 55 1 10 "Average Difference" N 126 2.775 -0.011 2.786 18716 56 1 10 "Average Difference" HA 138 0.216 0.010 0.217 18716 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18716 58 1 10 "Average Difference" CA 129 1.063 -0.183 1.052 18716 59 1 10 "Average Difference" CB 118 2.759 -0.466 2.731 18716 60 1 10 "Average Difference" HN 126 0.520 -0.149 0.500 18716 61 1 11 "Average Difference" N 126 2.752 -0.015 2.763 18716 62 1 11 "Average Difference" HA 138 0.229 0.021 0.229 18716 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18716 64 1 11 "Average Difference" CA 129 1.057 -0.152 1.050 18716 65 1 11 "Average Difference" CB 118 2.765 -0.471 2.736 18716 66 1 11 "Average Difference" HN 126 0.528 -0.176 0.500 18716 67 1 12 "Average Difference" N 126 2.698 -0.106 2.706 18716 68 1 12 "Average Difference" HA 138 0.257 0.043 0.255 18716 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18716 70 1 12 "Average Difference" CA 129 1.204 -0.141 1.200 18716 71 1 12 "Average Difference" CB 118 2.843 -0.487 2.813 18716 72 1 12 "Average Difference" HN 126 0.495 -0.145 0.475 18716 73 1 13 "Average Difference" N 126 2.855 -0.161 2.861 18716 74 1 13 "Average Difference" HA 138 0.240 0.027 0.239 18716 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18716 76 1 13 "Average Difference" CA 129 1.124 -0.277 1.093 18716 77 1 13 "Average Difference" CB 118 2.843 -0.398 2.827 18716 78 1 13 "Average Difference" HN 126 0.522 -0.171 0.496 18716 79 1 14 "Average Difference" N 126 2.828 -0.053 2.838 18716 80 1 14 "Average Difference" HA 138 0.245 0.043 0.242 18716 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18716 82 1 14 "Average Difference" CA 129 1.152 -0.248 1.129 18716 83 1 14 "Average Difference" CB 118 2.906 -0.432 2.886 18716 84 1 14 "Average Difference" HN 126 0.508 -0.163 0.483 18716 85 1 15 "Average Difference" N 126 2.575 -0.173 2.580 18716 86 1 15 "Average Difference" HA 138 0.225 0.034 0.223 18716 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18716 88 1 15 "Average Difference" CA 129 1.084 -0.319 1.040 18716 89 1 15 "Average Difference" CB 118 2.887 -0.481 2.859 18716 90 1 15 "Average Difference" HN 126 0.518 -0.163 0.493 18716 91 1 16 "Average Difference" N 126 2.730 -0.023 2.741 18716 92 1 16 "Average Difference" HA 138 0.243 0.055 0.238 18716 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18716 94 1 16 "Average Difference" CA 129 1.140 -0.313 1.100 18716 95 1 16 "Average Difference" CB 118 2.908 -0.405 2.892 18716 96 1 16 "Average Difference" HN 126 0.527 -0.153 0.506 18716 97 1 17 "Average Difference" N 126 2.779 -0.001 2.791 18716 98 1 17 "Average Difference" HA 138 0.224 0.023 0.224 18716 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18716 100 1 17 "Average Difference" CA 129 0.995 -0.169 0.984 18716 101 1 17 "Average Difference" CB 118 2.791 -0.457 2.765 18716 102 1 17 "Average Difference" HN 126 0.513 -0.160 0.490 18716 103 1 18 "Average Difference" N 126 2.764 -0.035 2.775 18716 104 1 18 "Average Difference" HA 138 0.231 0.044 0.228 18716 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18716 106 1 18 "Average Difference" CA 129 1.082 -0.222 1.063 18716 107 1 18 "Average Difference" CB 118 2.906 -0.425 2.887 18716 108 1 18 "Average Difference" HN 126 0.531 -0.157 0.510 18716 109 1 19 "Average Difference" N 126 2.708 -0.289 2.703 18716 110 1 19 "Average Difference" HA 138 0.235 0.041 0.232 18716 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18716 112 1 19 "Average Difference" CA 129 1.011 -0.234 0.987 18716 113 1 19 "Average Difference" CB 118 2.824 -0.465 2.798 18716 114 1 19 "Average Difference" HN 126 0.518 -0.152 0.497 18716 115 1 20 "Average Difference" N 126 2.615 -0.270 2.611 18716 116 1 20 "Average Difference" HA 138 0.233 0.029 0.232 18716 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18716 118 1 20 "Average Difference" CA 129 1.200 -0.194 1.189 18716 119 1 20 "Average Difference" CB 118 2.831 -0.423 2.812 18716 120 1 20 "Average Difference" HN 126 0.506 -0.170 0.479 18716 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 18716 _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 3 3 ALA N N 3 123.842 123.842 124.127 -0.285 18716 2 1 . 1 1 3 3 ALA HA H 3 4.328 4.328 4.548 -0.220 18716 3 1 . 1 1 3 3 ALA CA C 3 52.537 52.537 52.050 0.487 18716 4 1 . 1 1 3 3 ALA CB C 3 17.251 17.251 19.531 -2.280 18716 5 1 . 1 1 3 3 ALA H H 3 8.183 8.183 8.190 -0.007 18716 6 1 . 1 1 4 4 ARG N N 4 120.165 120.165 120.942 -0.777 18716 7 1 . 1 1 4 4 ARG HA H 4 4.256 4.256 4.475 -0.219 18716 8 1 . 1 1 4 4 ARG CA C 4 55.965 55.965 55.927 0.038 18716 9 1 . 1 1 4 4 ARG CB C 4 30.961 30.961 31.118 -0.157 18716 10 1 . 1 1 4 4 ARG H H 4 8.429 8.429 8.368 0.061 18716 11 1 . 1 1 5 5 ALA N N 5 125.165 125.165 125.223 -0.058 18716 12 1 . 1 1 5 5 ALA HA H 5 4.282 4.282 4.421 -0.140 18716 13 1 . 1 1 5 5 ALA CA C 5 52.371 52.371 51.911 0.460 18716 14 1 . 1 1 5 5 ALA CB C 5 19.672 19.672 19.608 0.064 18716 15 1 . 1 1 5 5 ALA H H 5 8.370 8.370 8.323 0.047 18716 16 1 . 1 1 6 6 SER N N 6 114.540 114.540 116.790 -2.250 18716 17 1 . 1 1 6 6 SER HA H 6 4.479 4.479 4.511 -0.032 18716 18 1 . 1 1 6 6 SER CA C 6 57.804 57.804 57.902 -0.098 18716 19 1 . 1 1 6 6 SER CB C 6 64.034 64.034 63.737 0.297 18716 20 1 . 1 1 6 6 SER H H 6 8.134 8.134 8.394 -0.260 18716 21 1 . 1 1 7 7 VAL N N 7 121.415 121.415 122.309 -0.893 18716 22 1 . 1 1 7 7 VAL HA H 7 3.617 3.617 3.995 -0.378 18716 23 1 . 1 1 7 7 VAL CA C 7 65.711 65.711 63.756 1.955 18716 24 1 . 1 1 7 7 VAL CB C 7 31.936 31.936 32.133 -0.197 18716 25 1 . 1 1 7 7 VAL H H 7 8.119 8.119 8.212 -0.093 18716 26 1 . 1 1 8 8 LEU N N 8 115.478 115.478 118.526 -3.048 18716 27 1 . 1 1 8 8 LEU HA H 8 4.914 4.914 4.765 0.149 18716 28 1 . 1 1 8 8 LEU CA C 8 52.475 52.475 53.237 -0.762 18716 29 1 . 1 1 8 8 LEU CB C 8 44.314 44.314 43.159 1.155 18716 30 1 . 1 1 8 8 LEU H H 8 7.382 7.382 7.606 -0.224 18716 31 1 . 1 1 9 9 SER N N 9 118.290 118.290 119.490 -1.200 18716 32 1 . 1 1 9 9 SER HA H 9 4.606 4.606 4.477 0.129 18716 33 1 . 1 1 9 9 SER CA C 9 57.197 57.197 57.733 -0.536 18716 34 1 . 1 1 9 9 SER CB C 9 65.426 65.426 65.072 0.354 18716 35 1 . 1 1 9 9 SER H H 9 9.166 9.166 8.882 0.284 18716 36 1 . 1 1 10 10 GLY N N 10 109.228 109.228 108.579 0.649 18716 37 1 . 1 1 10 10 GLY CA C 10 47.674 47.674 46.998 0.676 18716 38 1 . 1 1 10 10 GLY H H 10 8.959 8.959 8.687 0.272 18716 39 1 . 1 1 11 11 GLY N N 11 111.102 111.102 109.867 1.235 18716 40 1 . 1 1 11 11 GLY CA C 11 46.661 46.661 46.444 0.217 18716 41 1 . 1 1 11 11 GLY H H 11 8.782 8.782 7.802 0.980 18716 42 1 . 1 1 12 12 GLU N N 12 120.165 120.165 122.164 -1.999 18716 43 1 . 1 1 12 12 GLU HA H 12 3.950 3.950 4.024 -0.074 18716 44 1 . 1 1 12 12 GLU CA C 12 59.096 59.096 58.694 0.402 18716 45 1 . 1 1 12 12 GLU CB C 12 31.290 31.290 29.481 1.809 18716 46 1 . 1 1 12 12 GLU H H 12 7.751 7.751 7.568 0.183 18716 47 1 . 1 1 13 13 LEU N N 13 121.415 121.415 121.716 -0.301 18716 48 1 . 1 1 13 13 LEU HA H 13 4.108 4.108 4.050 0.058 18716 49 1 . 1 1 13 13 LEU CA C 13 58.062 58.062 58.274 -0.212 18716 50 1 . 1 1 13 13 LEU CB C 13 40.936 40.936 41.815 -0.879 18716 51 1 . 1 1 13 13 LEU H H 13 8.340 8.340 8.392 -0.052 18716 52 1 . 1 1 14 14 ASP N N 14 116.415 116.415 119.237 -2.822 18716 53 1 . 1 1 14 14 ASP HA H 14 4.393 4.393 4.333 0.060 18716 54 1 . 1 1 14 14 ASP CA C 14 57.136 57.136 57.782 -0.646 18716 55 1 . 1 1 14 14 ASP CB C 14 41.086 41.086 40.650 0.436 18716 56 1 . 1 1 14 14 ASP H H 14 7.574 7.574 7.839 -0.265 18716 57 1 . 1 1 15 15 LYS N N 15 115.478 115.478 119.756 -4.278 18716 58 1 . 1 1 15 15 LYS HA H 15 4.046 4.046 4.104 -0.058 18716 59 1 . 1 1 15 15 LYS CA C 15 58.402 58.402 59.267 -0.865 18716 60 1 . 1 1 15 15 LYS CB C 15 32.359 32.359 32.400 -0.041 18716 61 1 . 1 1 15 15 LYS H H 15 7.117 7.117 7.550 -0.433 18716 62 1 . 1 1 16 16 TRP N N 16 121.693 121.693 121.589 0.104 18716 63 1 . 1 1 16 16 TRP HA H 16 4.025 4.025 4.169 -0.144 18716 64 1 . 1 1 16 16 TRP CA C 16 60.286 60.286 60.712 -0.426 18716 65 1 . 1 1 16 16 TRP CB C 16 31.113 31.113 29.519 1.594 18716 66 1 . 1 1 16 16 TRP H H 16 8.646 8.646 8.374 0.272 18716 67 1 . 1 1 17 17 GLU N N 17 127.710 127.710 116.305 11.405 18716 68 1 . 1 1 17 17 GLU HA H 17 4.691 4.691 4.375 0.316 18716 69 1 . 1 1 17 17 GLU CA C 17 56.769 56.769 58.637 -1.868 18716 70 1 . 1 1 17 17 GLU CB C 17 29.745 29.745 29.519 0.226 18716 71 1 . 1 1 17 17 GLU H H 17 7.571 7.571 8.148 -0.577 18716 72 1 . 1 1 18 18 LYS N N 18 115.790 115.790 118.830 -3.040 18716 73 1 . 1 1 18 18 LYS HA H 18 4.497 4.497 4.232 0.265 18716 74 1 . 1 1 18 18 LYS CA C 18 55.569 55.569 57.202 -1.633 18716 75 1 . 1 1 18 18 LYS CB C 18 33.939 33.939 33.094 0.845 18716 76 1 . 1 1 18 18 LYS H H 18 7.456 7.456 7.376 0.080 18716 77 1 . 1 1 19 19 ILE N N 19 124.228 124.228 120.112 4.116 18716 78 1 . 1 1 19 19 ILE HA H 19 3.557 3.557 4.042 -0.485 18716 79 1 . 1 1 19 19 ILE CA C 19 63.120 63.120 63.004 0.116 18716 80 1 . 1 1 19 19 ILE CB C 19 38.182 38.182 38.169 0.013 18716 81 1 . 1 1 19 19 ILE H H 19 7.633 7.633 7.944 -0.311 18716 82 1 . 1 1 20 20 ARG N N 20 125.790 125.790 124.394 1.396 18716 83 1 . 1 1 20 20 ARG HA H 20 4.428 4.428 4.492 -0.064 18716 84 1 . 1 1 20 20 ARG CA C 20 56.495 56.495 55.060 1.435 18716 85 1 . 1 1 20 20 ARG CB C 20 31.537 31.537 31.736 -0.199 18716 86 1 . 1 1 20 20 ARG H H 20 8.031 8.031 8.382 -0.351 18716 87 1 . 1 1 21 21 LEU N N 21 120.165 120.165 120.638 -0.472 18716 88 1 . 1 1 21 21 LEU HA H 21 3.431 3.431 3.813 -0.382 18716 89 1 . 1 1 21 21 LEU CA C 21 58.235 58.235 57.005 1.230 18716 90 1 . 1 1 21 21 LEU CB C 21 41.554 41.554 41.986 -0.431 18716 91 1 . 1 1 21 21 LEU H H 21 7.810 7.810 8.035 -0.225 18716 92 1 . 1 1 22 22 ARG N N 22 119.540 119.540 114.936 4.604 18716 93 1 . 1 1 22 22 ARG HA H 22 4.845 4.845 4.640 0.205 18716 94 1 . 1 1 22 22 ARG CA C 22 52.844 52.844 53.361 -0.517 18716 95 1 . 1 1 22 22 ARG CB C 22 31.617 31.617 31.434 0.183 18716 96 1 . 1 1 22 22 ARG H H 22 8.974 8.974 7.540 1.434 18716 97 1 . 1 1 23 23 PRO HA H 23 4.360 4.360 4.475 -0.115 18716 98 1 . 1 1 23 23 PRO CA C 23 63.436 63.436 64.467 -1.031 18716 99 1 . 1 1 23 23 PRO CB C 23 31.565 31.565 32.161 -0.596 18716 100 1 . 1 1 24 24 GLY N N 24 112.665 112.665 107.236 5.429 18716 101 1 . 1 1 24 24 GLY CA C 24 45.805 45.805 44.445 1.360 18716 102 1 . 1 1 24 24 GLY H H 24 9.138 9.138 8.113 1.025 18716 103 1 . 1 1 25 25 GLY N N 25 107.978 107.978 107.758 0.220 18716 104 1 . 1 1 25 25 GLY CA C 25 44.572 44.572 44.542 0.030 18716 105 1 . 1 1 25 25 GLY H H 25 8.134 8.134 7.399 0.735 18716 106 1 . 1 1 26 26 LYS N N 26 117.665 117.665 119.193 -1.528 18716 107 1 . 1 1 26 26 LYS HA H 26 4.264 4.264 4.466 -0.202 18716 108 1 . 1 1 26 26 LYS CA C 26 56.853 56.853 56.213 0.640 18716 109 1 . 1 1 26 26 LYS CB C 26 34.056 34.056 32.864 1.192 18716 110 1 . 1 1 26 26 LYS H H 26 8.665 8.665 8.323 0.342 18716 111 1 . 1 1 27 27 LYS N N 27 117.925 117.925 120.233 -2.308 18716 112 1 . 1 1 27 27 LYS HA H 27 4.311 4.311 4.469 -0.158 18716 113 1 . 1 1 27 27 LYS CA C 27 57.211 57.211 55.674 1.537 18716 114 1 . 1 1 27 27 LYS CB C 27 33.878 33.878 34.213 -0.335 18716 115 1 . 1 1 27 27 LYS H H 27 7.817 7.817 7.854 -0.037 18716 116 1 . 1 1 28 28 GLN N N 28 122.978 122.978 120.473 2.505 18716 117 1 . 1 1 28 28 GLN HA H 28 4.816 4.816 4.402 0.414 18716 118 1 . 1 1 28 28 GLN CA C 28 54.473 54.473 55.008 -0.535 18716 119 1 . 1 1 28 28 GLN CB C 28 34.054 34.054 30.355 3.699 18716 120 1 . 1 1 28 28 GLN H H 28 8.458 8.458 8.344 0.114 18716 121 1 . 1 1 29 29 TYR N N 29 119.540 119.540 119.283 0.257 18716 122 1 . 1 1 29 29 TYR HA H 29 3.732 3.732 4.495 -0.763 18716 123 1 . 1 1 29 29 TYR CA C 29 61.010 61.010 59.132 1.878 18716 124 1 . 1 1 29 29 TYR CB C 29 37.216 37.216 39.471 -2.255 18716 125 1 . 1 1 29 29 TYR H H 29 7.824 7.824 8.424 -0.600 18716 126 1 . 1 1 30 30 LYS N N 30 117.978 117.978 120.544 -2.566 18716 127 1 . 1 1 30 30 LYS HA H 30 5.216 5.216 4.892 0.324 18716 128 1 . 1 1 30 30 LYS CA C 30 54.065 54.065 54.926 -0.861 18716 129 1 . 1 1 30 30 LYS CB C 30 38.588 38.588 36.170 2.418 18716 130 1 . 1 1 30 30 LYS H H 30 10.610 10.610 9.181 1.429 18716 131 1 . 1 1 31 31 LEU N N 31 128.602 128.602 124.516 4.085 18716 132 1 . 1 1 31 31 LEU HA H 31 4.181 4.181 4.089 0.092 18716 133 1 . 1 1 31 31 LEU CA C 31 59.234 59.234 58.297 0.937 18716 134 1 . 1 1 31 31 LEU CB C 31 41.002 41.002 41.697 -0.695 18716 135 1 . 1 1 31 31 LEU H H 31 9.991 9.991 8.950 1.041 18716 136 1 . 1 1 32 32 LYS N N 32 115.165 115.165 118.716 -3.551 18716 137 1 . 1 1 32 32 LYS HA H 32 4.145 4.145 3.942 0.203 18716 138 1 . 1 1 32 32 LYS CA C 32 59.097 59.097 59.415 -0.318 18716 139 1 . 1 1 32 32 LYS CB C 32 31.559 31.559 31.852 -0.293 18716 140 1 . 1 1 32 32 LYS H H 32 8.399 8.399 8.596 -0.197 18716 141 1 . 1 1 33 33 HIS N N 33 119.540 119.540 117.049 2.491 18716 142 1 . 1 1 33 33 HIS HA H 33 4.604 4.604 4.698 -0.094 18716 143 1 . 1 1 33 33 HIS CA C 33 62.891 62.891 59.485 3.406 18716 144 1 . 1 1 33 33 HIS CB C 33 32.784 32.784 30.531 2.253 18716 145 1 . 1 1 33 33 HIS H H 33 8.193 8.193 7.950 0.243 18716 146 1 . 1 1 34 34 ILE N N 34 119.540 119.540 120.782 -1.242 18716 147 1 . 1 1 34 34 ILE HA H 34 3.794 3.794 3.851 -0.058 18716 148 1 . 1 1 34 34 ILE CA C 34 63.848 63.848 64.906 -1.058 18716 149 1 . 1 1 34 34 ILE CB C 34 36.979 36.979 37.667 -0.688 18716 150 1 . 1 1 34 34 ILE H H 34 7.898 7.898 7.545 0.353 18716 151 1 . 1 1 35 35 VAL N N 35 122.040 122.040 118.983 3.057 18716 152 1 . 1 1 35 35 VAL HA H 35 3.612 3.612 3.796 -0.184 18716 153 1 . 1 1 35 35 VAL CA C 35 66.746 66.746 66.556 0.190 18716 154 1 . 1 1 35 35 VAL CB C 35 32.142 32.142 31.419 0.722 18716 155 1 . 1 1 35 35 VAL H H 35 7.706 7.706 8.489 -0.783 18716 156 1 . 1 1 36 36 TRP N N 36 119.986 119.986 122.443 -2.457 18716 157 1 . 1 1 36 36 TRP HA H 36 4.233 4.233 4.232 0.001 18716 158 1 . 1 1 36 36 TRP CA C 36 62.110 62.110 62.040 0.070 18716 159 1 . 1 1 36 36 TRP CB C 36 28.412 28.412 29.298 -0.886 18716 160 1 . 1 1 36 36 TRP H H 36 8.452 8.452 7.774 0.678 18716 161 1 . 1 1 37 37 ALA N N 37 120.478 120.478 119.924 0.554 18716 162 1 . 1 1 37 37 ALA HA H 37 3.392 3.392 3.626 -0.234 18716 163 1 . 1 1 37 37 ALA CA C 37 55.137 55.137 55.051 0.086 18716 164 1 . 1 1 37 37 ALA CB C 37 17.430 17.430 18.163 -0.733 18716 165 1 . 1 1 37 37 ALA H H 37 8.311 8.311 8.216 0.095 18716 166 1 . 1 1 38 38 SER N N 38 111.415 111.415 114.260 -2.845 18716 167 1 . 1 1 38 38 SER HA H 38 3.906 3.906 4.051 -0.145 18716 168 1 . 1 1 38 38 SER CA C 38 62.801 62.801 62.112 0.689 18716 169 1 . 1 1 38 38 SER CB C 38 62.829 62.829 62.974 -0.145 18716 170 1 . 1 1 38 38 SER H H 38 8.259 8.259 7.686 0.573 18716 171 1 . 1 1 39 39 ARG N N 39 119.852 119.852 120.892 -1.040 18716 172 1 . 1 1 39 39 ARG HA H 39 4.146 4.146 4.013 0.133 18716 173 1 . 1 1 39 39 ARG CA C 39 58.410 58.410 59.036 -0.626 18716 174 1 . 1 1 39 39 ARG CB C 39 30.008 30.008 30.169 -0.161 18716 175 1 . 1 1 39 39 ARG H H 39 7.559 7.559 7.550 0.009 18716 176 1 . 1 1 40 40 GLU N N 40 121.102 121.102 119.138 1.964 18716 177 1 . 1 1 40 40 GLU HA H 40 3.787 3.787 3.836 -0.049 18716 178 1 . 1 1 40 40 GLU CA C 40 58.281 58.281 58.382 -0.101 18716 179 1 . 1 1 40 40 GLU CB C 40 29.674 29.674 28.896 0.778 18716 180 1 . 1 1 40 40 GLU H H 40 8.222 8.222 7.456 0.766 18716 181 1 . 1 1 41 41 LEU N N 41 117.040 117.040 120.396 -3.356 18716 182 1 . 1 1 41 41 LEU HA H 41 3.960 3.960 4.097 -0.137 18716 183 1 . 1 1 41 41 LEU CA C 41 58.297 58.297 57.944 0.353 18716 184 1 . 1 1 41 41 LEU CB C 41 40.180 40.180 42.000 -1.820 18716 185 1 . 1 1 41 41 LEU H H 41 8.016 8.016 8.003 0.013 18716 186 1 . 1 1 42 42 GLU N N 42 117.352 117.352 118.655 -1.303 18716 187 1 . 1 1 42 42 GLU HA H 42 4.127 4.127 4.048 0.079 18716 188 1 . 1 1 42 42 GLU CA C 42 59.571 59.571 59.188 0.383 18716 189 1 . 1 1 42 42 GLU CB C 42 29.665 29.665 29.224 0.441 18716 190 1 . 1 1 42 42 GLU H H 42 7.559 7.559 7.755 -0.196 18716 191 1 . 1 1 43 43 ARG N N 43 119.540 119.540 118.799 0.741 18716 192 1 . 1 1 43 43 ARG HA H 43 4.027 4.027 4.012 0.015 18716 193 1 . 1 1 43 43 ARG CA C 43 58.601 58.601 58.125 0.476 18716 194 1 . 1 1 43 43 ARG CB C 43 29.665 29.665 30.001 -0.336 18716 195 1 . 1 1 43 43 ARG H H 43 7.647 7.647 7.342 0.305 18716 196 1 . 1 1 44 44 PHE N N 44 117.665 117.665 118.367 -0.702 18716 197 1 . 1 1 44 44 PHE HA H 44 4.616 4.616 4.650 -0.034 18716 198 1 . 1 1 44 44 PHE CA C 44 57.425 57.425 56.730 0.695 18716 199 1 . 1 1 44 44 PHE CB C 44 39.154 39.154 38.229 0.925 18716 200 1 . 1 1 44 44 PHE H H 44 7.529 7.529 7.637 -0.108 18716 201 1 . 1 1 45 45 ALA N N 45 118.915 118.915 119.555 -0.640 18716 202 1 . 1 1 45 45 ALA HA H 45 4.015 4.015 3.945 0.070 18716 203 1 . 1 1 45 45 ALA CA C 45 53.414 53.414 53.261 0.153 18716 204 1 . 1 1 45 45 ALA CB C 45 16.281 16.281 16.977 -0.696 18716 205 1 . 1 1 45 45 ALA H H 45 7.928 7.928 7.683 0.245 18716 206 1 . 1 1 46 46 VAL N N 46 119.540 119.540 118.901 0.639 18716 207 1 . 1 1 46 46 VAL HA H 46 4.095 4.095 4.181 -0.086 18716 208 1 . 1 1 46 46 VAL CA C 46 60.789 60.789 60.676 0.113 18716 209 1 . 1 1 46 46 VAL CB C 46 33.420 33.420 33.195 0.225 18716 210 1 . 1 1 46 46 VAL H H 46 7.765 7.765 7.666 0.099 18716 211 1 . 1 1 47 47 ASN N N 47 125.790 125.790 126.891 -1.100 18716 212 1 . 1 1 47 47 ASN HA H 47 4.646 4.646 4.762 -0.116 18716 213 1 . 1 1 47 47 ASN CA C 47 50.997 50.997 52.471 -1.474 18716 214 1 . 1 1 47 47 ASN CB C 47 39.086 39.086 38.629 0.457 18716 215 1 . 1 1 47 47 ASN H H 47 8.399 8.399 8.830 -0.431 18716 216 1 . 1 1 48 48 PRO HA H 48 4.222 4.222 4.403 -0.182 18716 217 1 . 1 1 48 48 PRO CA C 48 64.314 64.314 64.467 -0.153 18716 218 1 . 1 1 48 48 PRO CB C 48 31.740 31.740 31.903 -0.162 18716 219 1 . 1 1 49 49 GLY N N 49 108.290 108.290 107.485 0.805 18716 220 1 . 1 1 49 49 GLY CA C 49 46.530 46.530 45.878 0.652 18716 221 1 . 1 1 49 49 GLY H H 49 8.620 8.620 8.438 0.182 18716 222 1 . 1 1 50 50 LEU N N 50 121.728 121.728 120.723 1.005 18716 223 1 . 1 1 50 50 LEU HA H 50 4.137 4.137 4.252 -0.115 18716 224 1 . 1 1 50 50 LEU CA C 50 57.299 57.299 55.673 1.626 18716 225 1 . 1 1 50 50 LEU CB C 50 41.563 41.563 41.893 -0.330 18716 226 1 . 1 1 50 50 LEU H H 50 7.765 7.765 7.463 0.302 18716 227 1 . 1 1 51 51 LEU N N 51 112.040 112.040 118.117 -6.077 18716 228 1 . 1 1 51 51 LEU HA H 51 4.226 4.226 4.215 0.011 18716 229 1 . 1 1 51 51 LEU CA C 51 56.507 56.507 56.825 -0.318 18716 230 1 . 1 1 51 51 LEU CB C 51 42.490 42.490 42.242 0.249 18716 231 1 . 1 1 51 51 LEU H H 51 7.412 7.412 7.596 -0.184 18716 232 1 . 1 1 52 52 GLU N N 52 114.540 114.540 115.079 -0.538 18716 233 1 . 1 1 52 52 GLU HA H 52 4.055 4.055 4.313 -0.258 18716 234 1 . 1 1 52 52 GLU CA C 52 58.384 58.384 56.091 2.293 18716 235 1 . 1 1 52 52 GLU CB C 52 31.058 31.058 29.476 1.582 18716 236 1 . 1 1 52 52 GLU H H 52 7.500 7.500 7.913 -0.413 18716 237 1 . 1 1 53 53 THR N N 53 122.978 122.978 110.925 12.053 18716 238 1 . 1 1 53 53 THR HA H 53 4.402 4.402 4.461 -0.059 18716 239 1 . 1 1 53 53 THR CA C 53 58.306 58.306 60.058 -1.752 18716 240 1 . 1 1 53 53 THR CB C 53 73.222 73.222 71.742 1.480 18716 241 1 . 1 1 53 53 THR H H 53 7.235 7.235 7.461 -0.226 18716 242 1 . 1 1 54 54 SER N N 54 119.228 119.228 121.405 -2.177 18716 243 1 . 1 1 54 54 SER HA H 54 4.043 4.043 4.223 -0.180 18716 244 1 . 1 1 54 54 SER CA C 54 62.657 62.657 61.540 1.117 18716 245 1 . 1 1 54 54 SER CB C 54 62.562 62.562 62.933 -0.371 18716 246 1 . 1 1 54 54 SER H H 54 9.313 9.313 8.905 0.408 18716 247 1 . 1 1 55 55 GLU N N 55 121.233 121.233 120.805 0.428 18716 248 1 . 1 1 55 55 GLU HA H 55 4.069 4.069 4.340 -0.271 18716 249 1 . 1 1 55 55 GLU CA C 55 59.675 59.675 58.657 1.018 18716 250 1 . 1 1 55 55 GLU CB C 55 28.999 28.999 29.542 -0.543 18716 251 1 . 1 1 55 55 GLU H H 55 8.975 8.975 8.492 0.483 18716 252 1 . 1 1 56 56 GLY N N 56 110.790 110.790 108.499 2.291 18716 253 1 . 1 1 56 56 GLY CA C 56 47.866 47.866 47.244 0.622 18716 254 1 . 1 1 56 56 GLY H H 56 8.517 8.517 8.224 0.293 18716 255 1 . 1 1 57 57 CYS N N 57 118.602 118.602 119.645 -1.043 18716 256 1 . 1 1 57 57 CYS HA H 57 4.024 4.024 4.114 -0.090 18716 257 1 . 1 1 57 57 CYS CA C 57 64.602 64.602 63.640 0.962 18716 258 1 . 1 1 57 57 CYS CB C 57 47.795 47.795 27.605 20.190 18716 259 1 . 1 1 57 57 CYS H H 57 8.134 8.134 8.134 0.000 18716 260 1 . 1 1 58 58 ARG N N 58 119.540 119.540 119.602 -0.062 18716 261 1 . 1 1 58 58 ARG HA H 58 3.550 3.550 3.617 -0.067 18716 262 1 . 1 1 58 58 ARG CA C 58 59.707 59.707 59.432 0.275 18716 263 1 . 1 1 58 58 ARG CB C 58 29.449 29.449 29.855 -0.406 18716 264 1 . 1 1 58 58 ARG H H 58 8.488 8.488 7.780 0.708 18716 265 1 . 1 1 59 59 GLN N N 59 119.852 119.852 118.395 1.457 18716 266 1 . 1 1 59 59 GLN HA H 59 4.052 4.052 4.075 -0.023 18716 267 1 . 1 1 59 59 GLN CA C 59 59.400 59.400 58.806 0.593 18716 268 1 . 1 1 59 59 GLN CB C 59 28.234 28.234 28.624 -0.390 18716 269 1 . 1 1 59 59 GLN H H 59 8.016 8.016 7.618 0.398 18716 270 1 . 1 1 60 60 ILE N N 60 120.790 120.790 120.140 0.650 18716 271 1 . 1 1 60 60 ILE HA H 60 3.612 3.612 3.722 -0.110 18716 272 1 . 1 1 60 60 ILE CA C 60 65.651 65.651 65.109 0.542 18716 273 1 . 1 1 60 60 ILE CB C 60 37.850 37.850 37.973 -0.123 18716 274 1 . 1 1 60 60 ILE H H 60 8.163 8.163 7.958 0.205 18716 275 1 . 1 1 61 61 LEU N N 61 118.915 118.915 118.952 -0.037 18716 276 1 . 1 1 61 61 LEU HA H 61 3.895 3.895 4.169 -0.274 18716 277 1 . 1 1 61 61 LEU CA C 61 58.654 58.654 57.501 1.153 18716 278 1 . 1 1 61 61 LEU CB C 61 40.776 40.776 41.306 -0.530 18716 279 1 . 1 1 61 61 LEU H H 61 8.370 8.370 8.149 0.221 18716 280 1 . 1 1 62 62 GLY N N 62 104.332 104.332 106.990 -2.658 18716 281 1 . 1 1 62 62 GLY CA C 62 47.184 47.184 46.810 0.374 18716 282 1 . 1 1 62 62 GLY H H 62 7.883 7.883 8.031 -0.148 18716 283 1 . 1 1 63 63 GLN N N 63 119.852 119.852 119.019 0.833 18716 284 1 . 1 1 63 63 GLN HA H 63 4.148 4.148 4.280 -0.132 18716 285 1 . 1 1 63 63 GLN CA C 63 57.873 57.873 57.502 0.371 18716 286 1 . 1 1 63 63 GLN CB C 63 29.115 29.115 29.189 -0.074 18716 287 1 . 1 1 63 63 GLN H H 63 7.795 7.795 7.598 0.197 18716 288 1 . 1 1 64 64 LEU N N 64 117.040 117.040 119.528 -2.488 18716 289 1 . 1 1 64 64 LEU HA H 64 4.258 4.258 4.095 0.163 18716 290 1 . 1 1 64 64 LEU CA C 64 56.183 56.183 56.445 -0.262 18716 291 1 . 1 1 64 64 LEU CB C 64 44.198 44.198 41.923 2.275 18716 292 1 . 1 1 64 64 LEU H H 64 8.252 8.252 7.563 0.689 18716 293 1 . 1 1 65 65 GLN N N 65 118.915 118.915 119.177 -0.262 18716 294 1 . 1 1 65 65 GLN HA H 65 3.779 3.779 3.798 -0.019 18716 295 1 . 1 1 65 65 GLN CA C 65 61.547 61.547 60.390 1.157 18716 296 1 . 1 1 65 65 GLN CB C 65 25.864 25.864 27.067 -1.203 18716 297 1 . 1 1 65 65 GLN H H 65 8.104 8.104 8.187 -0.083 18716 298 1 . 1 1 66 66 PRO HA H 66 4.383 4.383 4.319 0.064 18716 299 1 . 1 1 66 66 PRO CA C 66 65.917 65.917 64.777 1.140 18716 300 1 . 1 1 66 66 PRO CB C 66 31.099 31.099 31.193 -0.094 18716 301 1 . 1 1 67 67 SER N N 67 111.415 111.415 113.505 -2.090 18716 302 1 . 1 1 67 67 SER HA H 67 4.493 4.493 4.413 0.080 18716 303 1 . 1 1 67 67 SER CA C 67 59.696 59.696 59.213 0.483 18716 304 1 . 1 1 67 67 SER CB C 67 64.031 64.031 62.900 1.131 18716 305 1 . 1 1 67 67 SER H H 67 7.824 7.824 7.546 0.278 18716 306 1 . 1 1 68 68 LEU N N 68 121.102 121.102 121.788 -0.686 18716 307 1 . 1 1 68 68 LEU HA H 68 3.816 3.816 3.872 -0.056 18716 308 1 . 1 1 68 68 LEU CA C 68 57.948 57.948 57.702 0.246 18716 309 1 . 1 1 68 68 LEU CB C 68 41.769 41.769 41.553 0.216 18716 310 1 . 1 1 68 68 LEU H H 68 7.647 7.647 7.709 -0.062 18716 311 1 . 1 1 69 69 GLN N N 69 116.415 116.415 118.249 -1.834 18716 312 1 . 1 1 69 69 GLN HA H 69 4.069 4.069 4.093 -0.024 18716 313 1 . 1 1 69 69 GLN CA C 69 58.470 58.470 58.162 0.308 18716 314 1 . 1 1 69 69 GLN CB C 69 28.428 28.428 28.991 -0.563 18716 315 1 . 1 1 69 69 GLN H H 69 8.060 8.060 8.323 -0.263 18716 316 1 . 1 1 70 70 THR N N 70 106.728 106.728 111.746 -5.018 18716 317 1 . 1 1 70 70 THR HA H 70 4.481 4.481 4.471 0.010 18716 318 1 . 1 1 70 70 THR CA C 70 61.291 61.291 61.616 -0.325 18716 319 1 . 1 1 70 70 THR CB C 70 69.415 69.415 68.875 0.540 18716 320 1 . 1 1 70 70 THR H H 70 7.515 7.515 7.801 -0.286 18716 321 1 . 1 1 71 71 GLY N N 71 109.540 109.540 110.240 -0.700 18716 322 1 . 1 1 71 71 GLY CA C 71 45.553 45.553 44.103 1.450 18716 323 1 . 1 1 71 71 GLY H H 71 7.692 7.692 7.460 0.232 18716 324 1 . 1 1 72 72 SER N N 72 114.540 114.540 115.185 -0.645 18716 325 1 . 1 1 72 72 SER HA H 72 4.625 4.625 4.675 -0.050 18716 326 1 . 1 1 72 72 SER CA C 72 57.319 57.319 57.169 0.150 18716 327 1 . 1 1 72 72 SER CB C 72 64.599 64.599 65.353 -0.754 18716 328 1 . 1 1 72 72 SER H H 72 8.045 8.045 8.068 -0.023 18716 329 1 . 1 1 73 73 GLU N N 73 124.228 124.228 120.606 3.622 18716 330 1 . 1 1 73 73 GLU HA H 73 4.087 4.087 4.050 0.037 18716 331 1 . 1 1 73 73 GLU CA C 73 59.380 59.380 59.817 -0.437 18716 332 1 . 1 1 73 73 GLU CB C 73 29.302 29.302 29.459 -0.157 18716 333 1 . 1 1 73 73 GLU H H 73 9.092 9.092 8.949 0.143 18716 334 1 . 1 1 74 74 GLU N N 74 120.165 120.165 119.131 1.034 18716 335 1 . 1 1 74 74 GLU HA H 74 4.258 4.258 4.380 -0.122 18716 336 1 . 1 1 74 74 GLU CA C 74 60.306 60.306 59.129 1.177 18716 337 1 . 1 1 74 74 GLU CB C 74 29.462 29.462 29.732 -0.270 18716 338 1 . 1 1 74 74 GLU H H 74 8.665 8.665 7.952 0.713 18716 339 1 . 1 1 75 75 LEU N N 75 121.415 121.415 120.507 0.908 18716 340 1 . 1 1 75 75 LEU HA H 75 4.183 4.183 4.132 0.051 18716 341 1 . 1 1 75 75 LEU CA C 75 57.932 57.932 57.796 0.136 18716 342 1 . 1 1 75 75 LEU CB C 75 41.178 41.178 42.034 -0.856 18716 343 1 . 1 1 75 75 LEU H H 75 7.765 7.765 7.795 -0.030 18716 344 1 . 1 1 76 76 ARG N N 76 119.228 119.228 119.487 -0.259 18716 345 1 . 1 1 76 76 ARG HA H 76 3.933 3.933 3.986 -0.053 18716 346 1 . 1 1 76 76 ARG CA C 76 59.682 59.682 60.071 -0.389 18716 347 1 . 1 1 76 76 ARG CB C 76 29.197 29.197 30.141 -0.944 18716 348 1 . 1 1 76 76 ARG H H 76 7.868 7.868 8.236 -0.368 18716 349 1 . 1 1 77 77 SER N N 77 114.228 114.228 115.891 -1.663 18716 350 1 . 1 1 77 77 SER HA H 77 4.263 4.263 4.207 0.056 18716 351 1 . 1 1 77 77 SER CA C 77 62.668 62.668 62.242 0.426 18716 352 1 . 1 1 77 77 SER CB C 77 62.849 62.849 63.003 -0.154 18716 353 1 . 1 1 77 77 SER H H 77 8.576 8.576 8.053 0.523 18716 354 1 . 1 1 78 78 LEU N N 78 125.790 125.790 123.427 2.363 18716 355 1 . 1 1 78 78 LEU HA H 78 4.421 4.421 4.297 0.124 18716 356 1 . 1 1 78 78 LEU CA C 78 58.962 58.962 58.119 0.843 18716 357 1 . 1 1 78 78 LEU CB C 78 41.918 41.918 41.398 0.520 18716 358 1 . 1 1 78 78 LEU H H 78 8.458 8.458 7.973 0.485 18716 359 1 . 1 1 79 79 TYR N N 79 119.852 119.852 119.359 0.493 18716 360 1 . 1 1 79 79 TYR HA H 79 3.661 3.661 4.056 -0.395 18716 361 1 . 1 1 79 79 TYR CA C 79 62.802 62.802 61.761 1.041 18716 362 1 . 1 1 79 79 TYR CB C 79 39.194 39.194 38.300 0.894 18716 363 1 . 1 1 79 79 TYR H H 79 8.694 8.694 8.426 0.268 18716 364 1 . 1 1 80 80 ASN N N 80 117.040 117.040 117.557 -0.517 18716 365 1 . 1 1 80 80 ASN HA H 80 4.284 4.284 4.506 -0.222 18716 366 1 . 1 1 80 80 ASN CA C 80 55.787 55.787 56.422 -0.635 18716 367 1 . 1 1 80 80 ASN CB C 80 37.839 37.839 38.357 -0.518 18716 368 1 . 1 1 80 80 ASN H H 80 8.871 8.871 8.089 0.782 18716 369 1 . 1 1 81 81 THR N N 81 115.790 115.790 118.663 -2.873 18716 370 1 . 1 1 81 81 THR HA H 81 3.945 3.945 4.248 -0.303 18716 371 1 . 1 1 81 81 THR CA C 81 67.855 67.855 67.250 0.605 18716 372 1 . 1 1 81 81 THR CB C 81 69.140 69.140 69.124 0.016 18716 373 1 . 1 1 81 81 THR H H 81 8.119 8.119 8.215 -0.096 18716 374 1 . 1 1 82 82 ILE N N 82 121.102 121.102 120.993 0.109 18716 375 1 . 1 1 82 82 ILE HA H 82 3.668 3.668 3.773 -0.105 18716 376 1 . 1 1 82 82 ILE CA C 82 64.520 64.520 65.463 -0.943 18716 377 1 . 1 1 82 82 ILE CB C 82 36.486 36.486 37.357 -0.871 18716 378 1 . 1 1 82 82 ILE H H 82 8.090 8.090 8.711 -0.621 18716 379 1 . 1 1 83 83 ALA N N 83 125.165 125.165 122.725 2.440 18716 380 1 . 1 1 83 83 ALA HA H 83 3.891 3.891 3.926 -0.035 18716 381 1 . 1 1 83 83 ALA CA C 83 55.855 55.855 55.196 0.659 18716 382 1 . 1 1 83 83 ALA CB C 83 17.841 17.841 17.963 -0.122 18716 383 1 . 1 1 83 83 ALA H H 83 8.782 8.782 7.400 1.382 18716 384 1 . 1 1 84 84 VAL N N 84 117.665 117.665 119.011 -1.346 18716 385 1 . 1 1 84 84 VAL HA H 84 3.328 3.328 3.617 -0.289 18716 386 1 . 1 1 84 84 VAL CA C 84 67.465 67.465 66.280 1.185 18716 387 1 . 1 1 84 84 VAL CB C 84 30.695 30.695 31.139 -0.444 18716 388 1 . 1 1 84 84 VAL H H 84 7.795 7.795 7.618 0.177 18716 389 1 . 1 1 85 85 LEU N N 85 122.040 122.040 120.904 1.136 18716 390 1 . 1 1 85 85 LEU HA H 85 3.815 3.815 3.967 -0.152 18716 391 1 . 1 1 85 85 LEU CA C 85 58.310 58.310 58.211 0.099 18716 392 1 . 1 1 85 85 LEU CB C 85 42.148 42.148 41.823 0.325 18716 393 1 . 1 1 85 85 LEU H H 85 8.163 8.163 8.114 0.049 18716 394 1 . 1 1 86 86 TYR N N 86 118.915 118.915 120.221 -1.306 18716 395 1 . 1 1 86 86 TYR HA H 86 3.912 3.912 4.049 -0.137 18716 396 1 . 1 1 86 86 TYR CA C 86 62.818 62.818 61.566 1.252 18716 397 1 . 1 1 86 86 TYR CB C 86 38.287 38.287 38.059 0.228 18716 398 1 . 1 1 86 86 TYR H H 86 9.062 9.062 8.214 0.848 18716 399 1 . 1 1 87 87 CYS N N 87 116.102 116.102 116.169 -0.067 18716 400 1 . 1 1 87 87 CYS HA H 87 3.794 3.794 3.827 -0.033 18716 401 1 . 1 1 87 87 CYS CA C 87 65.966 65.966 63.964 2.002 18716 402 1 . 1 1 87 87 CYS CB C 87 46.557 46.557 26.602 19.955 18716 403 1 . 1 1 87 87 CYS H H 87 7.515 7.515 8.233 -0.718 18716 404 1 . 1 1 88 88 VAL N N 88 119.978 119.978 119.281 0.697 18716 405 1 . 1 1 88 88 VAL HA H 88 3.878 3.878 3.806 0.072 18716 406 1 . 1 1 88 88 VAL CA C 88 66.421 66.421 65.837 0.584 18716 407 1 . 1 1 88 88 VAL CB C 88 31.587 31.587 31.441 0.146 18716 408 1 . 1 1 88 88 VAL H H 88 8.429 8.429 7.423 1.006 18716 409 1 . 1 1 89 89 HIS N N 89 118.915 118.915 115.131 3.784 18716 410 1 . 1 1 89 89 HIS HA H 89 4.875 4.875 4.552 0.323 18716 411 1 . 1 1 89 89 HIS CA C 89 57.120 57.120 56.772 0.348 18716 412 1 . 1 1 89 89 HIS CB C 89 29.083 29.083 29.228 -0.145 18716 413 1 . 1 1 89 89 HIS H H 89 8.797 8.797 7.381 1.416 18716 414 1 . 1 1 90 90 GLN N N 90 116.728 116.728 117.572 -0.844 18716 415 1 . 1 1 90 90 GLN HA H 90 4.385 4.385 4.240 0.145 18716 416 1 . 1 1 90 90 GLN CA C 90 55.289 55.289 55.917 -0.628 18716 417 1 . 1 1 90 90 GLN CB C 90 30.952 30.952 29.360 1.592 18716 418 1 . 1 1 90 90 GLN H H 90 7.986 7.986 7.515 0.471 18716 419 1 . 1 1 91 91 ARG N N 91 115.165 115.165 116.064 -0.898 18716 420 1 . 1 1 91 91 ARG HA H 91 4.013 4.013 4.111 -0.098 18716 421 1 . 1 1 91 91 ARG CA C 91 57.183 57.183 56.791 0.392 18716 422 1 . 1 1 91 91 ARG CB C 91 26.049 26.049 29.561 -3.512 18716 423 1 . 1 1 91 91 ARG H H 91 7.883 7.883 7.656 0.227 18716 424 1 . 1 1 92 92 ILE N N 92 120.087 120.087 121.147 -1.060 18716 425 1 . 1 1 92 92 ILE HA H 92 3.985 3.985 4.143 -0.158 18716 426 1 . 1 1 92 92 ILE CA C 92 60.656 60.656 61.474 -0.818 18716 427 1 . 1 1 92 92 ILE CB C 92 38.930 38.930 39.106 -0.176 18716 428 1 . 1 1 92 92 ILE H H 92 8.335 8.335 7.980 0.355 18716 429 1 . 1 1 93 93 ASP N N 93 129.228 129.228 126.859 2.369 18716 430 1 . 1 1 93 93 ASP HA H 93 4.485 4.485 4.809 -0.324 18716 431 1 . 1 1 93 93 ASP CA C 93 55.043 55.043 52.737 2.306 18716 432 1 . 1 1 93 93 ASP CB C 93 40.396 40.396 40.798 -0.402 18716 433 1 . 1 1 93 93 ASP H H 93 8.620 8.620 8.531 0.089 18716 434 1 . 1 1 94 94 VAL N N 94 115.790 115.790 117.110 -1.320 18716 435 1 . 1 1 94 94 VAL HA H 94 4.633 4.633 4.207 0.426 18716 436 1 . 1 1 94 94 VAL CA C 94 59.120 59.120 61.203 -2.083 18716 437 1 . 1 1 94 94 VAL CB C 94 35.512 35.512 33.220 2.292 18716 438 1 . 1 1 94 94 VAL H H 94 7.751 7.751 7.742 0.009 18716 439 1 . 1 1 95 95 LYS N N 95 118.915 118.915 119.522 -0.607 18716 440 1 . 1 1 95 95 LYS HA H 95 4.393 4.393 4.374 0.019 18716 441 1 . 1 1 95 95 LYS CA C 95 56.671 56.671 57.544 -0.873 18716 442 1 . 1 1 95 95 LYS CB C 95 34.008 34.008 33.686 0.322 18716 443 1 . 1 1 95 95 LYS H H 95 9.239 9.239 8.591 0.648 18716 444 1 . 1 1 96 96 ASP N N 96 112.040 112.040 113.788 -1.748 18716 445 1 . 1 1 96 96 ASP HA H 96 5.562 5.562 5.342 0.220 18716 446 1 . 1 1 96 96 ASP CA C 96 52.829 52.829 52.499 0.330 18716 447 1 . 1 1 96 96 ASP CB C 96 44.604 44.604 43.285 1.319 18716 448 1 . 1 1 96 96 ASP H H 96 7.412 7.412 7.640 -0.228 18716 449 1 . 1 1 97 97 THR N N 97 109.540 109.540 114.037 -4.497 18716 450 1 . 1 1 97 97 THR HA H 97 3.661 3.661 4.053 -0.392 18716 451 1 . 1 1 97 97 THR CA C 97 65.947 65.947 66.418 -0.471 18716 452 1 . 1 1 97 97 THR CB C 97 70.285 70.285 68.956 1.329 18716 453 1 . 1 1 97 97 THR H H 97 7.250 7.250 8.266 -1.015 18716 454 1 . 1 1 98 98 LYS N N 98 121.102 121.102 122.135 -1.033 18716 455 1 . 1 1 98 98 LYS HA H 98 3.945 3.945 3.981 -0.036 18716 456 1 . 1 1 98 98 LYS CA C 98 59.628 59.628 59.635 -0.007 18716 457 1 . 1 1 98 98 LYS CB C 98 31.927 31.927 31.977 -0.050 18716 458 1 . 1 1 98 98 LYS H H 98 7.868 7.868 8.206 -0.338 18716 459 1 . 1 1 99 99 GLU N N 99 119.228 119.228 118.757 0.471 18716 460 1 . 1 1 99 99 GLU HA H 99 4.077 4.077 4.088 -0.011 18716 461 1 . 1 1 99 99 GLU CA C 99 59.795 59.795 59.362 0.433 18716 462 1 . 1 1 99 99 GLU CB C 99 30.246 30.246 29.548 0.698 18716 463 1 . 1 1 99 99 GLU H H 99 8.384 8.384 8.610 -0.226 18716 464 1 . 1 1 100 100 ALA N N 100 118.915 118.915 122.251 -3.336 18716 465 1 . 1 1 100 100 ALA HA H 100 4.386 4.386 4.102 0.284 18716 466 1 . 1 1 100 100 ALA CA C 100 55.396 55.396 54.975 0.421 18716 467 1 . 1 1 100 100 ALA CB C 100 19.759 19.759 18.407 1.352 18716 468 1 . 1 1 100 100 ALA H H 100 7.382 7.382 7.540 -0.158 18716 469 1 . 1 1 101 101 LEU N N 101 117.978 117.978 118.253 -0.275 18716 470 1 . 1 1 101 101 LEU HA H 101 4.020 4.020 4.022 -0.002 18716 471 1 . 1 1 101 101 LEU CA C 101 57.975 57.975 57.714 0.261 18716 472 1 . 1 1 101 101 LEU CB C 101 41.493 41.493 41.323 0.170 18716 473 1 . 1 1 101 101 LEU H H 101 8.119 8.119 7.811 0.308 18716 474 1 . 1 1 102 102 ASP N N 102 120.478 120.478 119.434 1.044 18716 475 1 . 1 1 102 102 ASP HA H 102 4.367 4.367 4.418 -0.051 18716 476 1 . 1 1 102 102 ASP CA C 102 57.352 57.352 57.487 -0.135 18716 477 1 . 1 1 102 102 ASP CB C 102 39.722 39.722 40.663 -0.940 18716 478 1 . 1 1 102 102 ASP H H 102 8.679 8.679 7.924 0.755 18716 479 1 . 1 1 103 103 LYS N N 103 120.165 120.165 119.714 0.451 18716 480 1 . 1 1 103 103 LYS HA H 103 4.164 4.164 4.124 0.040 18716 481 1 . 1 1 103 103 LYS CA C 103 58.364 58.364 59.242 -0.878 18716 482 1 . 1 1 103 103 LYS CB C 103 31.532 31.532 32.509 -0.977 18716 483 1 . 1 1 103 103 LYS H H 103 8.207 8.207 7.819 0.388 18716 484 1 . 1 1 104 104 ILE N N 104 119.852 119.852 119.289 0.563 18716 485 1 . 1 1 104 104 ILE HA H 104 3.810 3.810 3.812 -0.002 18716 486 1 . 1 1 104 104 ILE CA C 104 64.608 64.608 65.011 -0.403 18716 487 1 . 1 1 104 104 ILE CB C 104 37.434 37.434 37.884 -0.450 18716 488 1 . 1 1 104 104 ILE H H 104 8.163 8.163 7.767 0.396 18716 489 1 . 1 1 105 105 GLU N N 105 121.415 121.415 120.099 1.316 18716 490 1 . 1 1 105 105 GLU HA H 105 4.035 4.035 4.000 0.035 18716 491 1 . 1 1 105 105 GLU CA C 105 59.634 59.634 59.687 -0.053 18716 492 1 . 1 1 105 105 GLU CB C 105 32.756 32.756 29.545 3.211 18716 493 1 . 1 1 105 105 GLU H H 105 8.001 8.001 8.149 -0.148 18716 494 1 . 1 1 106 106 GLU N N 106 119.228 119.228 119.438 -0.210 18716 495 1 . 1 1 106 106 GLU HA H 106 4.090 4.090 4.081 0.009 18716 496 1 . 1 1 106 106 GLU CA C 106 59.267 59.267 59.369 -0.103 18716 497 1 . 1 1 106 106 GLU CB C 106 29.597 29.597 29.631 -0.034 18716 498 1 . 1 1 106 106 GLU H H 106 8.031 8.031 7.954 0.077 18716 499 1 . 1 1 107 107 GLU N N 107 118.915 118.915 119.020 -0.105 18716 500 1 . 1 1 107 107 GLU HA H 107 4.073 4.073 4.069 0.004 18716 501 1 . 1 1 107 107 GLU CA C 107 59.341 59.341 59.193 0.148 18716 502 1 . 1 1 107 107 GLU CB C 107 29.870 29.870 29.626 0.244 18716 503 1 . 1 1 107 107 GLU H H 107 8.016 8.016 7.865 0.151 18716 504 1 . 1 1 108 108 GLN N N 108 118.290 118.290 118.231 0.059 18716 505 1 . 1 1 108 108 GLN HA H 108 4.147 4.147 4.139 0.008 18716 506 1 . 1 1 108 108 GLN CA C 108 58.407 58.407 58.351 0.056 18716 507 1 . 1 1 108 108 GLN CB C 108 28.845 28.845 28.655 0.190 18716 508 1 . 1 1 108 108 GLN H H 108 8.252 8.252 7.804 0.448 18716 509 1 . 1 1 109 109 ASN N N 109 118.290 118.290 118.501 -0.211 18716 510 1 . 1 1 109 109 ASN HA H 109 4.617 4.617 4.446 0.171 18716 511 1 . 1 1 109 109 ASN CA C 109 54.882 54.882 56.190 -1.308 18716 512 1 . 1 1 109 109 ASN CB C 109 38.525 38.525 38.500 0.025 18716 513 1 . 1 1 109 109 ASN H H 109 8.252 8.252 7.951 0.301 18716 514 1 . 1 1 110 110 LYS N N 110 120.478 120.478 119.312 1.166 18716 515 1 . 1 1 110 110 LYS HA H 110 4.230 4.230 4.109 0.121 18716 516 1 . 1 1 110 110 LYS CA C 110 58.311 58.311 59.089 -0.778 18716 517 1 . 1 1 110 110 LYS CB C 110 32.691 32.691 32.454 0.237 18716 518 1 . 1 1 110 110 LYS H H 110 8.031 8.031 7.727 0.304 18716 519 1 . 1 1 111 111 SER N N 111 114.540 114.540 114.140 0.400 18716 520 1 . 1 1 111 111 SER HA H 111 4.368 4.368 4.323 0.045 18716 521 1 . 1 1 111 111 SER CA C 111 59.764 59.764 60.656 -0.892 18716 522 1 . 1 1 111 111 SER CB C 111 63.442 63.442 62.994 0.448 18716 523 1 . 1 1 111 111 SER H H 111 8.031 8.031 7.730 0.301 18716 524 1 . 1 1 112 112 LYS N N 112 122.040 122.040 121.515 0.525 18716 525 1 . 1 1 112 112 LYS HA H 112 4.245 4.245 4.124 0.121 18716 526 1 . 1 1 112 112 LYS CA C 112 57.329 57.329 58.679 -1.350 18716 527 1 . 1 1 112 112 LYS CB C 112 32.775 32.775 32.574 0.201 18716 528 1 . 1 1 112 112 LYS H H 112 7.957 7.957 7.829 0.128 18716 529 1 . 1 1 113 113 LYS N N 113 120.790 120.790 118.448 2.342 18716 530 1 . 1 1 113 113 LYS HA H 113 4.150 4.150 4.118 0.032 18716 531 1 . 1 1 113 113 LYS CA C 113 59.134 59.134 58.701 0.433 18716 532 1 . 1 1 113 113 LYS CB C 113 32.766 32.766 32.437 0.329 18716 533 1 . 1 1 113 113 LYS H H 113 8.016 8.016 7.782 0.234 18716 534 1 . 1 1 114 114 LYS N N 114 121.728 121.728 118.312 3.416 18716 535 1 . 1 1 114 114 LYS HA H 114 4.263 4.263 4.245 0.018 18716 536 1 . 1 1 114 114 LYS CA C 114 57.185 57.185 57.470 -0.285 18716 537 1 . 1 1 114 114 LYS CB C 114 32.857 32.857 32.319 0.538 18716 538 1 . 1 1 114 114 LYS H H 114 8.119 8.119 7.731 0.388 18716 539 1 . 1 1 115 115 ALA N N 115 124.228 124.228 120.988 3.240 18716 540 1 . 1 1 115 115 ALA HA H 115 4.268 4.268 4.368 -0.100 18716 541 1 . 1 1 115 115 ALA CA C 115 53.035 53.035 53.433 -0.398 18716 542 1 . 1 1 115 115 ALA CB C 115 19.038 19.038 18.981 0.057 18716 543 1 . 1 1 115 115 ALA H H 115 8.178 8.178 7.677 0.501 18716 544 1 . 1 1 116 116 GLN N N 116 119.228 119.228 117.583 1.645 18716 545 1 . 1 1 116 116 GLN HA H 116 4.248 4.248 4.323 -0.075 18716 546 1 . 1 1 116 116 GLN CA C 116 56.549 56.549 56.641 -0.092 18716 547 1 . 1 1 116 116 GLN H H 116 8.237 8.237 7.939 0.298 18716 548 1 . 1 1 117 117 GLN N N 117 120.478 120.478 118.706 1.772 18716 549 1 . 1 1 117 117 GLN HA H 117 4.269 4.269 4.108 0.161 18716 550 1 . 1 1 117 117 GLN CA C 117 56.324 56.324 57.814 -1.490 18716 551 1 . 1 1 117 117 GLN CB C 117 29.606 29.606 28.432 1.175 18716 552 1 . 1 1 117 117 GLN H H 117 8.266 8.266 8.266 0.000 18716 553 1 . 1 1 118 118 ALA N N 118 124.852 124.852 120.732 4.120 18716 554 1 . 1 1 118 118 ALA HA H 118 4.276 4.276 4.248 0.028 18716 555 1 . 1 1 118 118 ALA CA C 118 52.837 52.837 53.394 -0.557 18716 556 1 . 1 1 118 118 ALA CB C 118 19.062 19.062 18.542 0.520 18716 557 1 . 1 1 118 118 ALA H H 118 8.266 8.266 8.042 0.224 18716 558 1 . 1 1 119 119 ALA N N 119 122.978 122.978 120.818 2.160 18716 559 1 . 1 1 119 119 ALA HA H 119 4.294 4.294 4.387 -0.093 18716 560 1 . 1 1 119 119 ALA CA C 119 52.637 52.637 52.571 0.066 18716 561 1 . 1 1 119 119 ALA CB C 119 19.201 19.201 18.672 0.529 18716 562 1 . 1 1 119 119 ALA H H 119 8.163 8.163 7.944 0.219 18716 563 1 . 1 1 120 120 ALA N N 120 122.665 122.665 120.624 2.041 18716 564 1 . 1 1 120 120 ALA HA H 120 4.277 4.277 4.290 -0.013 18716 565 1 . 1 1 120 120 ALA CA C 120 52.736 52.736 52.982 -0.246 18716 566 1 . 1 1 120 120 ALA CB C 120 19.167 19.167 18.900 0.267 18716 567 1 . 1 1 120 120 ALA H H 120 8.163 8.163 7.952 0.211 18716 568 1 . 1 1 121 121 ASP N N 121 119.228 119.228 118.722 0.506 18716 569 1 . 1 1 121 121 ASP HA H 121 4.682 4.682 4.736 -0.054 18716 570 1 . 1 1 121 121 ASP CA C 121 54.264 54.264 54.356 -0.092 18716 571 1 . 1 1 121 121 ASP CB C 121 41.128 41.128 41.190 -0.062 18716 572 1 . 1 1 121 121 ASP H H 121 8.252 8.252 8.360 -0.108 18716 573 1 . 1 1 122 122 THR N N 122 113.602 113.602 112.604 0.998 18716 574 1 . 1 1 122 122 THR HA H 122 4.358 4.358 4.350 0.008 18716 575 1 . 1 1 122 122 THR CA C 122 61.971 61.971 61.902 0.069 18716 576 1 . 1 1 122 122 THR CB C 122 69.586 69.586 69.607 -0.021 18716 577 1 . 1 1 122 122 THR H H 122 8.075 8.075 7.767 0.308 18716 578 1 . 1 1 123 123 GLY N N 123 110.478 110.478 109.823 0.655 18716 579 1 . 1 1 123 123 GLY CA C 123 45.603 45.603 45.134 0.469 18716 580 1 . 1 1 123 123 GLY H H 123 8.414 8.414 8.396 0.018 18716 581 1 . 1 1 124 124 ASN N N 124 118.602 118.602 119.668 -1.066 18716 582 1 . 1 1 124 124 ASN HA H 124 4.608 4.608 4.720 -0.112 18716 583 1 . 1 1 124 124 ASN CA C 124 54.733 54.733 52.696 2.037 18716 584 1 . 1 1 124 124 ASN CB C 124 38.538 38.538 39.461 -0.923 18716 585 1 . 1 1 124 124 ASN H H 124 8.266 8.266 8.397 -0.131 18716 586 1 . 1 1 125 125 ASN N N 125 119.228 119.228 118.638 0.590 18716 587 1 . 1 1 125 125 ASN HA H 125 4.724 4.724 4.719 0.005 18716 588 1 . 1 1 125 125 ASN CA C 125 53.453 53.453 53.445 0.008 18716 589 1 . 1 1 125 125 ASN CB C 125 38.813 38.813 39.241 -0.429 18716 590 1 . 1 1 125 125 ASN H H 125 8.443 8.443 8.420 0.023 18716 591 1 . 1 1 126 126 SER N N 126 115.790 115.790 116.558 -0.768 18716 592 1 . 1 1 126 126 SER HA H 126 4.388 4.388 4.531 -0.143 18716 593 1 . 1 1 126 126 SER CA C 126 58.851 58.851 58.266 0.585 18716 594 1 . 1 1 126 126 SER CB C 126 63.926 63.926 63.961 -0.035 18716 595 1 . 1 1 126 126 SER H H 126 8.266 8.266 8.289 -0.023 18716 596 1 . 1 1 127 127 GLN N N 127 121.728 121.728 124.091 -2.363 18716 597 1 . 1 1 127 127 GLN HA H 127 4.323 4.323 4.514 -0.191 18716 598 1 . 1 1 127 127 GLN CA C 127 56.223 56.223 55.592 0.631 18716 599 1 . 1 1 127 127 GLN CB C 127 29.168 29.168 29.623 -0.455 18716 600 1 . 1 1 127 127 GLN H H 127 8.355 8.355 8.441 -0.086 18716 601 1 . 1 1 128 128 VAL N N 128 119.852 119.852 120.544 -0.692 18716 602 1 . 1 1 128 128 VAL HA H 128 4.109 4.109 4.302 -0.193 18716 603 1 . 1 1 128 128 VAL CA C 128 62.665 62.665 62.029 0.636 18716 604 1 . 1 1 128 128 VAL CB C 128 32.769 32.769 32.809 -0.040 18716 605 1 . 1 1 128 128 VAL H H 128 7.986 7.986 8.184 -0.198 18716 606 1 . 1 1 129 129 SER N N 129 117.978 117.978 119.268 -1.290 18716 607 1 . 1 1 129 129 SER HA H 129 4.136 4.136 4.626 -0.490 18716 608 1 . 1 1 129 129 SER CA C 129 58.404 58.404 58.077 0.327 18716 609 1 . 1 1 129 129 SER CB C 129 63.755 63.755 63.823 -0.068 18716 610 1 . 1 1 129 129 SER H H 129 8.252 8.252 8.341 -0.089 18716 611 1 . 1 1 130 130 GLN N N 130 121.728 121.728 121.818 -0.090 18716 612 1 . 1 1 130 130 GLN HA H 130 4.355 4.355 4.493 -0.138 18716 613 1 . 1 1 130 130 GLN CA C 130 56.150 56.150 55.601 0.549 18716 614 1 . 1 1 130 130 GLN CB C 130 29.373 29.373 29.905 -0.532 18716 615 1 . 1 1 130 130 GLN H H 130 8.355 8.355 8.481 -0.126 18716 616 1 . 1 1 131 131 ASN N N 131 118.290 118.290 118.915 -0.625 18716 617 1 . 1 1 131 131 ASN HA H 131 4.632 4.632 4.808 -0.176 18716 618 1 . 1 1 131 131 ASN CA C 131 53.568 53.568 53.369 0.199 18716 619 1 . 1 1 131 131 ASN H H 131 8.252 8.252 8.663 -0.411 18716 stop_ save_