data_19033 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19033 _Entry.PDB_ID 2M51 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 19033 _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 ARG N N 3 123.172 123.172 120.107 3.065 19033 2 1 1 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.523 -0.225 19033 3 1 1 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.965 -0.788 19033 4 1 1 . 1 1 3 3 ARG CB C 3 29.313 29.313 32.276 -2.963 19033 5 1 1 . 1 1 3 3 ARG H H 3 8.600 8.600 8.108 0.492 19033 6 1 1 . 1 1 4 4 ARG N N 4 122.811 122.811 123.900 -1.089 19033 7 1 1 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.784 0.661 19033 8 1 1 . 1 1 4 4 ARG CA C 4 51.948 51.948 55.080 -3.132 19033 9 1 1 . 1 1 4 4 ARG CB C 4 30.814 30.814 34.808 -3.994 19033 10 1 1 . 1 1 4 4 ARG H H 4 8.458 8.458 8.376 0.082 19033 11 1 1 . 1 1 5 5 VAL N N 5 112.133 112.133 114.060 -1.927 19033 12 1 1 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.055 0.029 19033 13 1 1 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.244 -3.350 19033 14 1 1 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.816 -2.202 19033 15 1 1 . 1 1 5 5 VAL H H 5 8.173 8.173 8.664 -0.491 19033 16 1 1 . 1 1 6 6 ARG N N 6 120.981 120.981 120.867 0.114 19033 17 1 1 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.717 0.898 19033 18 1 1 . 1 1 6 6 ARG CA C 6 50.883 50.883 53.861 -2.978 19033 19 1 1 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.375 -1.711 19033 20 1 1 . 1 1 6 6 ARG H H 6 9.102 9.102 8.647 0.455 19033 21 1 1 . 1 1 7 7 ALA N N 7 127.309 127.309 127.401 -0.092 19033 22 1 1 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.654 0.171 19033 23 1 1 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.995 -1.985 19033 24 1 1 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.414 -1.854 19033 25 1 1 . 1 1 7 7 ALA H H 7 9.300 9.300 8.373 0.927 19033 26 1 1 . 1 1 8 8 ILE N N 8 119.944 119.944 114.865 5.079 19033 27 1 1 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.467 -0.174 19033 28 1 1 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.697 -1.623 19033 29 1 1 . 1 1 8 8 ILE CB C 8 36.125 36.125 38.419 -2.294 19033 30 1 1 . 1 1 8 8 ILE H H 8 9.095 9.095 8.716 0.379 19033 31 1 1 . 1 1 9 9 LEU N N 9 123.267 123.267 120.006 3.261 19033 32 1 1 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.997 -0.448 19033 33 1 1 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.007 -2.071 19033 34 1 1 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.583 -0.701 19033 35 1 1 . 1 1 9 9 LEU H H 9 7.738 7.738 7.544 0.194 19033 36 1 1 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.635 -0.101 19033 37 1 1 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.297 -3.151 19033 38 1 1 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.633 -2.268 19033 39 1 1 . 1 1 11 11 TYR N N 11 117.178 117.178 119.055 -1.877 19033 40 1 1 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.400 -0.330 19033 41 1 1 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.317 -1.014 19033 42 1 1 . 1 1 11 11 TYR CB C 11 39.864 39.864 40.889 -1.024 19033 43 1 1 . 1 1 11 11 TYR H H 11 7.754 7.754 8.675 -0.921 19033 44 1 1 . 1 1 12 12 THR N N 12 125.004 125.004 120.457 4.547 19033 45 1 1 . 1 1 12 12 THR HA H 12 4.224 4.224 4.279 -0.055 19033 46 1 1 . 1 1 12 12 THR CA C 12 57.833 57.833 61.163 -3.330 19033 47 1 1 . 1 1 12 12 THR CB C 12 66.962 66.962 69.666 -2.704 19033 48 1 1 . 1 1 12 12 THR H H 12 7.149 7.149 8.018 -0.869 19033 49 1 1 . 1 1 13 13 LYS N N 13 123.175 123.175 123.006 0.169 19033 50 1 1 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.268 -0.120 19033 51 1 1 . 1 1 13 13 LYS CA C 13 52.749 52.749 55.239 -2.490 19033 52 1 1 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.202 -2.852 19033 53 1 1 . 1 1 13 13 LYS H H 13 8.121 8.121 8.151 -0.030 19033 54 1 1 . 1 1 14 14 VAL N N 14 126.091 126.091 120.676 5.415 19033 55 1 1 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.231 -0.183 19033 56 1 1 . 1 1 14 14 VAL CA C 14 58.059 58.059 60.521 -2.462 19033 57 1 1 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.292 -1.898 19033 58 1 1 . 1 1 14 14 VAL H H 14 8.061 8.061 8.993 -0.932 19033 59 1 1 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.523 -0.403 19033 60 1 1 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.168 -2.118 19033 61 1 1 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.221 -2.526 19033 62 1 1 . 1 1 16 16 ASP N N 16 115.188 115.188 118.197 -3.009 19033 63 1 1 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.398 -0.111 19033 64 1 1 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.208 -2.019 19033 65 1 1 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.495 -4.184 19033 66 1 1 . 1 1 16 16 ASP H H 16 8.808 8.808 8.809 -0.001 19033 67 1 1 . 1 1 17 17 THR N N 17 106.185 106.185 111.279 -5.094 19033 68 1 1 . 1 1 17 17 THR HA H 17 4.704 4.704 4.534 0.170 19033 69 1 1 . 1 1 17 17 THR CA C 17 58.069 58.069 60.964 -2.895 19033 70 1 1 . 1 1 17 17 THR CB C 17 70.764 70.764 70.707 0.057 19033 71 1 1 . 1 1 17 17 THR H H 17 7.264 7.264 7.599 -0.335 19033 72 1 1 . 1 1 18 18 ASP N N 18 117.426 117.426 119.024 -1.598 19033 73 1 1 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.722 0.241 19033 74 1 1 . 1 1 18 18 ASP CA C 18 51.920 51.920 53.796 -1.876 19033 75 1 1 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.349 -2.290 19033 76 1 1 . 1 1 18 18 ASP H H 18 8.855 8.855 8.587 0.268 19033 77 1 1 . 1 1 19 19 GLU N N 19 119.666 119.666 119.357 0.309 19033 78 1 1 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.367 0.327 19033 79 1 1 . 1 1 19 19 GLU CA C 19 54.515 54.515 56.794 -2.279 19033 80 1 1 . 1 1 19 19 GLU CB C 19 29.535 29.535 31.123 -1.588 19033 81 1 1 . 1 1 19 19 GLU H H 19 7.603 7.603 7.287 0.316 19033 82 1 1 . 1 1 20 20 ILE N N 20 109.127 109.127 116.530 -7.403 19033 83 1 1 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.610 0.243 19033 84 1 1 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.479 -3.222 19033 85 1 1 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.803 -2.401 19033 86 1 1 . 1 1 20 20 ILE H H 20 6.909 6.909 8.077 -1.168 19033 87 1 1 . 1 1 21 21 SER N N 21 117.834 117.834 117.882 -0.048 19033 88 1 1 . 1 1 21 21 SER HA H 21 4.796 4.796 4.877 -0.081 19033 89 1 1 . 1 1 21 21 SER CA C 21 54.907 54.907 57.965 -3.058 19033 90 1 1 . 1 1 21 21 SER CB C 21 61.426 61.426 65.338 -3.912 19033 91 1 1 . 1 1 21 21 SER H H 21 8.738 8.738 8.331 0.407 19033 92 1 1 . 1 1 22 22 PHE N N 22 116.177 116.177 115.121 1.056 19033 93 1 1 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.132 -0.467 19033 94 1 1 . 1 1 22 22 PHE CA C 22 53.807 53.807 56.999 -3.192 19033 95 1 1 . 1 1 22 22 PHE CB C 22 38.324 38.324 40.735 -2.411 19033 96 1 1 . 1 1 22 22 PHE H H 22 8.860 8.860 8.545 0.315 19033 97 1 1 . 1 1 23 23 LEU N N 23 121.283 121.283 119.871 1.412 19033 98 1 1 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.819 -0.208 19033 99 1 1 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.129 -3.176 19033 100 1 1 . 1 1 23 23 LEU CB C 23 41.634 41.634 45.728 -4.094 19033 101 1 1 . 1 1 23 23 LEU H H 23 8.681 8.681 8.776 -0.095 19033 102 1 1 . 1 1 24 24 LYS N N 24 119.660 119.660 121.439 -1.779 19033 103 1 1 . 1 1 24 24 LYS HA H 24 3.322 3.322 4.011 -0.689 19033 104 1 1 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.439 -2.011 19033 105 1 1 . 1 1 24 24 LYS CB C 24 29.987 29.987 31.824 -1.837 19033 106 1 1 . 1 1 24 24 LYS H H 24 8.076 8.076 8.677 -0.601 19033 107 1 1 . 1 1 25 25 GLY N N 25 115.402 115.402 114.953 0.449 19033 108 1 1 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.751 -2.438 19033 109 1 1 . 1 1 25 25 GLY H H 25 8.569 8.569 8.685 -0.116 19033 110 1 1 . 1 1 26 26 ASP N N 26 122.287 122.287 122.739 -0.452 19033 111 1 1 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.722 -0.415 19033 112 1 1 . 1 1 26 26 ASP CA C 26 53.273 53.273 54.797 -1.524 19033 113 1 1 . 1 1 26 26 ASP CB C 26 37.932 37.932 41.897 -3.965 19033 114 1 1 . 1 1 26 26 ASP H H 26 7.847 7.847 7.825 0.022 19033 115 1 1 . 1 1 27 27 MET N N 27 119.570 119.570 116.963 2.607 19033 116 1 1 . 1 1 27 27 MET HA H 27 5.070 5.070 4.528 0.542 19033 117 1 1 . 1 1 27 27 MET CA C 27 50.485 50.485 54.527 -4.042 19033 118 1 1 . 1 1 27 27 MET CB C 27 32.786 32.786 37.239 -4.453 19033 119 1 1 . 1 1 27 27 MET H H 27 8.117 8.117 8.295 -0.178 19033 120 1 1 . 1 1 28 28 PHE N N 28 116.911 116.911 117.459 -0.548 19033 121 1 1 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.615 0.044 19033 122 1 1 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.525 -3.288 19033 123 1 1 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.260 -4.133 19033 124 1 1 . 1 1 28 28 PHE H H 28 8.909 8.909 8.812 0.097 19033 125 1 1 . 1 1 29 29 ILE N N 29 118.126 118.126 116.335 1.791 19033 126 1 1 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.656 -0.102 19033 127 1 1 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.468 -2.920 19033 128 1 1 . 1 1 29 29 ILE CB C 29 37.618 37.618 41.165 -3.547 19033 129 1 1 . 1 1 29 29 ILE H H 29 8.060 8.060 8.225 -0.165 19033 130 1 1 . 1 1 30 30 VAL N N 30 125.411 125.411 124.541 0.870 19033 131 1 1 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.979 -0.115 19033 132 1 1 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.794 -3.920 19033 133 1 1 . 1 1 30 30 VAL CB C 30 29.863 29.863 31.302 -1.439 19033 134 1 1 . 1 1 30 30 VAL H H 30 8.331 8.331 8.102 0.229 19033 135 1 1 . 1 1 31 31 HIS N N 31 127.208 127.208 126.692 0.516 19033 136 1 1 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.883 -0.185 19033 137 1 1 . 1 1 31 31 HIS CA C 31 54.672 54.672 57.003 -2.331 19033 138 1 1 . 1 1 31 31 HIS CB C 31 28.040 28.040 33.368 -5.328 19033 139 1 1 . 1 1 31 31 HIS H H 31 9.289 9.289 9.138 0.151 19033 140 1 1 . 1 1 32 32 ASN N N 32 112.446 112.446 117.530 -5.084 19033 141 1 1 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.948 0.002 19033 142 1 1 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.901 -2.229 19033 143 1 1 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.387 -2.097 19033 144 1 1 . 1 1 32 32 ASN H H 32 7.866 7.866 8.119 -0.253 19033 145 1 1 . 1 1 33 33 GLU N N 33 123.553 123.553 121.394 2.159 19033 146 1 1 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.668 -0.263 19033 147 1 1 . 1 1 33 33 GLU CA C 33 54.104 54.104 56.015 -1.911 19033 148 1 1 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.455 -3.777 19033 149 1 1 . 1 1 33 33 GLU H H 33 8.723 8.723 8.682 0.041 19033 150 1 1 . 1 1 34 34 LEU N N 34 125.739 125.739 124.375 1.364 19033 151 1 1 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.715 -0.065 19033 152 1 1 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.969 -2.625 19033 153 1 1 . 1 1 34 34 LEU CB C 34 39.813 39.813 44.719 -4.906 19033 154 1 1 . 1 1 34 34 LEU H H 34 8.488 8.488 8.294 0.194 19033 155 1 1 . 1 1 35 35 GLU N N 35 117.915 117.915 119.334 -1.419 19033 156 1 1 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.558 -0.269 19033 157 1 1 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.723 -2.291 19033 158 1 1 . 1 1 35 35 GLU CB C 35 27.756 27.756 30.250 -2.494 19033 159 1 1 . 1 1 35 35 GLU H H 35 8.174 8.174 8.612 -0.438 19033 160 1 1 . 1 1 36 36 ASP N N 36 116.640 116.640 119.974 -3.334 19033 161 1 1 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.828 -0.465 19033 162 1 1 . 1 1 36 36 ASP CA C 36 52.392 52.392 53.822 -1.430 19033 163 1 1 . 1 1 36 36 ASP CB C 36 37.268 37.268 40.831 -3.562 19033 164 1 1 . 1 1 36 36 ASP H H 36 8.755 8.755 8.269 0.486 19033 165 1 1 . 1 1 37 37 GLY N N 37 104.775 104.775 106.713 -1.938 19033 166 1 1 . 1 1 37 37 GLY CA C 37 43.066 43.066 44.919 -1.853 19033 167 1 1 . 1 1 37 37 GLY H H 37 8.235 8.235 8.259 -0.024 19033 168 1 1 . 1 1 38 38 TRP N N 38 119.789 119.789 119.969 -0.180 19033 169 1 1 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.363 -0.411 19033 170 1 1 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.643 -0.954 19033 171 1 1 . 1 1 38 38 TRP CB C 38 28.348 28.348 32.424 -4.076 19033 172 1 1 . 1 1 38 38 TRP H H 38 7.331 7.331 7.818 -0.487 19033 173 1 1 . 1 1 39 39 MET N N 39 118.460 118.460 117.331 1.129 19033 174 1 1 . 1 1 39 39 MET HA H 39 4.941 4.941 4.944 -0.003 19033 175 1 1 . 1 1 39 39 MET CA C 39 52.194 52.194 55.119 -2.925 19033 176 1 1 . 1 1 39 39 MET CB C 39 35.101 35.101 37.535 -2.434 19033 177 1 1 . 1 1 39 39 MET H H 39 9.330 9.330 8.925 0.405 19033 178 1 1 . 1 1 40 40 TRP N N 40 123.201 123.201 124.489 -1.288 19033 179 1 1 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.124 -0.056 19033 180 1 1 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.037 -3.716 19033 181 1 1 . 1 1 40 40 TRP CB C 40 27.857 27.857 31.850 -3.993 19033 182 1 1 . 1 1 40 40 TRP H H 40 8.777 8.777 8.546 0.231 19033 183 1 1 . 1 1 41 41 VAL N N 41 120.754 120.754 118.391 2.363 19033 184 1 1 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.599 -0.152 19033 185 1 1 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.053 -2.342 19033 186 1 1 . 1 1 41 41 VAL CB C 41 34.428 34.428 34.762 -0.334 19033 187 1 1 . 1 1 41 41 VAL H H 41 8.755 8.755 8.567 0.188 19033 188 1 1 . 1 1 42 42 THR N N 42 112.967 112.967 114.664 -1.697 19033 189 1 1 . 1 1 42 42 THR HA H 42 4.999 4.999 5.091 -0.092 19033 190 1 1 . 1 1 42 42 THR CA C 42 59.763 59.763 61.257 -1.494 19033 191 1 1 . 1 1 42 42 THR CB C 42 68.696 68.696 72.056 -3.361 19033 192 1 1 . 1 1 42 42 THR H H 42 8.142 8.142 8.178 -0.036 19033 193 1 1 . 1 1 43 43 ASN N N 43 124.680 124.680 121.883 2.797 19033 194 1 1 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.345 -0.936 19033 195 1 1 . 1 1 43 43 ASN CA C 43 50.340 50.340 51.163 -0.823 19033 196 1 1 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.700 -2.914 19033 197 1 1 . 1 1 43 43 ASN H H 43 8.848 8.848 8.907 -0.059 19033 198 1 1 . 1 1 44 44 LEU N N 44 126.753 126.753 127.003 -0.250 19033 199 1 1 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.180 -0.131 19033 200 1 1 . 1 1 44 44 LEU CA C 44 54.255 54.255 57.406 -3.151 19033 201 1 1 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.263 -2.616 19033 202 1 1 . 1 1 44 44 LEU H H 44 8.841 8.841 8.485 0.356 19033 203 1 1 . 1 1 45 45 ARG N N 45 119.154 119.154 119.463 -0.309 19033 204 1 1 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.120 0.035 19033 205 1 1 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.651 -2.332 19033 206 1 1 . 1 1 45 45 ARG CB C 45 27.552 27.552 31.021 -3.469 19033 207 1 1 . 1 1 45 45 ARG H H 45 8.452 8.452 8.413 0.039 19033 208 1 1 . 1 1 46 46 THR N N 46 105.128 105.128 109.741 -4.613 19033 209 1 1 . 1 1 46 46 THR HA H 46 4.180 4.180 4.425 -0.245 19033 210 1 1 . 1 1 46 46 THR CA C 46 58.368 58.368 62.580 -4.212 19033 211 1 1 . 1 1 46 46 THR CB C 46 67.991 67.991 69.825 -1.834 19033 212 1 1 . 1 1 46 46 THR H H 46 6.842 6.842 7.713 -0.871 19033 213 1 1 . 1 1 47 47 ASP N N 47 120.147 120.147 120.879 -0.732 19033 214 1 1 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.343 -0.070 19033 215 1 1 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.670 -2.078 19033 216 1 1 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.689 -2.941 19033 217 1 1 . 1 1 47 47 ASP H H 47 8.650 8.650 8.008 0.642 19033 218 1 1 . 1 1 48 48 GLU N N 48 117.574 117.574 118.296 -0.722 19033 219 1 1 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.349 -0.055 19033 220 1 1 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.549 -3.806 19033 221 1 1 . 1 1 48 48 GLU CB C 48 29.503 29.503 31.528 -2.025 19033 222 1 1 . 1 1 48 48 GLU H H 48 7.454 7.454 7.687 -0.233 19033 223 1 1 . 1 1 49 49 GLN N N 49 119.154 119.154 119.028 0.126 19033 224 1 1 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.803 0.846 19033 225 1 1 . 1 1 49 49 GLN CA C 49 50.614 50.614 54.667 -4.053 19033 226 1 1 . 1 1 49 49 GLN CB C 49 29.447 29.447 33.561 -4.114 19033 227 1 1 . 1 1 49 49 GLN H H 49 8.314 8.314 8.527 -0.213 19033 228 1 1 . 1 1 50 50 GLY N N 50 108.506 108.506 107.179 1.327 19033 229 1 1 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.156 -1.901 19033 230 1 1 . 1 1 50 50 GLY H H 50 7.795 7.795 7.458 0.337 19033 231 1 1 . 1 1 51 51 LEU N N 51 119.484 119.484 120.591 -1.107 19033 232 1 1 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.224 0.154 19033 233 1 1 . 1 1 51 51 LEU CA C 51 51.274 51.274 53.557 -2.283 19033 234 1 1 . 1 1 51 51 LEU CB C 51 43.574 43.574 44.111 -0.537 19033 235 1 1 . 1 1 51 51 LEU H H 51 7.748 7.748 8.027 -0.279 19033 236 1 1 . 1 1 52 52 ILE N N 52 114.127 114.127 116.354 -2.227 19033 237 1 1 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.739 -0.094 19033 238 1 1 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.715 -2.375 19033 239 1 1 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.080 -1.174 19033 240 1 1 . 1 1 52 52 ILE H H 52 8.802 8.802 8.558 0.244 19033 241 1 1 . 1 1 53 53 VAL N N 53 120.370 120.370 121.435 -1.065 19033 242 1 1 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.984 0.034 19033 243 1 1 . 1 1 53 53 VAL CA C 53 56.467 56.467 59.587 -3.119 19033 244 1 1 . 1 1 53 53 VAL CB C 53 30.327 30.327 33.883 -3.556 19033 245 1 1 . 1 1 53 53 VAL H H 53 7.495 7.495 7.980 -0.485 19033 246 1 1 . 1 1 54 54 GLU N N 54 122.759 122.759 127.156 -4.397 19033 247 1 1 . 1 1 54 54 GLU HA H 54 3.590 3.590 4.040 -0.450 19033 248 1 1 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.635 -3.071 19033 249 1 1 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.246 -2.820 19033 250 1 1 . 1 1 54 54 GLU H H 54 8.104 8.104 8.636 -0.532 19033 251 1 1 . 1 1 55 55 ASP N N 55 114.708 114.708 120.156 -5.448 19033 252 1 1 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.401 -0.197 19033 253 1 1 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.370 -3.084 19033 254 1 1 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.810 -2.695 19033 255 1 1 . 1 1 55 55 ASP H H 55 7.394 7.394 8.435 -1.041 19033 256 1 1 . 1 1 56 56 LEU N N 56 116.100 116.100 117.867 -1.767 19033 257 1 1 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.714 -0.316 19033 258 1 1 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.203 -2.304 19033 259 1 1 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.147 -3.583 19033 260 1 1 . 1 1 56 56 LEU H H 56 7.121 7.121 7.417 -0.296 19033 261 1 1 . 1 1 57 57 VAL N N 57 109.850 109.850 114.410 -4.560 19033 262 1 1 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.075 0.306 19033 263 1 1 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.591 -3.031 19033 264 1 1 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.686 -1.942 19033 265 1 1 . 1 1 57 57 VAL H H 57 7.438 7.438 7.344 0.094 19033 266 1 1 . 1 1 58 58 GLU N N 58 116.558 116.558 120.233 -3.675 19033 267 1 1 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.729 0.106 19033 268 1 1 . 1 1 58 58 GLU CA C 58 50.156 50.156 54.192 -4.036 19033 269 1 1 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.532 -2.179 19033 270 1 1 . 1 1 58 58 GLU H H 58 8.886 8.886 8.925 -0.039 19033 271 1 1 . 1 1 59 59 GLU N N 59 121.900 121.900 121.990 -0.090 19033 272 1 1 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.287 -0.058 19033 273 1 1 . 1 1 59 59 GLU CA C 59 54.417 54.417 55.549 -1.132 19033 274 1 1 . 1 1 59 59 GLU CB C 59 27.517 27.517 27.602 -0.084 19033 275 1 1 . 1 1 59 59 GLU H H 59 8.659 8.659 8.915 -0.256 19033 276 1 1 . 1 1 60 60 VAL N N 60 122.505 122.505 120.255 2.250 19033 277 1 1 . 1 1 60 60 VAL HA H 60 4.087 4.087 3.866 0.221 19033 278 1 1 . 1 1 60 60 VAL CA C 60 59.466 59.466 62.976 -3.510 19033 279 1 1 . 1 1 60 60 VAL CB C 60 30.306 30.306 32.823 -2.517 19033 280 1 1 . 1 1 60 60 VAL H H 60 8.069 8.069 7.775 0.294 19033 281 1 1 . 1 1 61 61 GLY N N 61 112.799 112.799 111.931 0.868 19033 282 1 1 . 1 1 61 61 GLY CA C 61 42.709 42.709 44.550 -1.841 19033 283 1 1 . 1 1 61 61 GLY H H 61 8.383 8.383 8.653 -0.270 19033 284 1 2 . 1 1 3 3 ARG N N 3 123.172 123.172 119.395 3.777 19033 285 1 2 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.764 -0.466 19033 286 1 2 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.743 -0.566 19033 287 1 2 . 1 1 3 3 ARG CB C 3 29.313 29.313 32.713 -3.400 19033 288 1 2 . 1 1 3 3 ARG H H 3 8.600 8.600 8.243 0.357 19033 289 1 2 . 1 1 4 4 ARG N N 4 122.811 122.811 119.234 3.577 19033 290 1 2 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.932 0.513 19033 291 1 2 . 1 1 4 4 ARG CA C 4 51.948 51.948 55.563 -3.615 19033 292 1 2 . 1 1 4 4 ARG CB C 4 30.814 30.814 34.487 -3.673 19033 293 1 2 . 1 1 4 4 ARG H H 4 8.458 8.458 8.632 -0.174 19033 294 1 2 . 1 1 5 5 VAL N N 5 112.133 112.133 113.391 -1.258 19033 295 1 2 . 1 1 5 5 VAL HA H 5 5.084 5.084 4.878 0.206 19033 296 1 2 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.761 -3.867 19033 297 1 2 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.816 -2.202 19033 298 1 2 . 1 1 5 5 VAL H H 5 8.173 8.173 8.964 -0.791 19033 299 1 2 . 1 1 6 6 ARG N N 6 120.981 120.981 119.440 1.541 19033 300 1 2 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.744 0.871 19033 301 1 2 . 1 1 6 6 ARG CA C 6 50.883 50.883 54.202 -3.319 19033 302 1 2 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.657 -1.994 19033 303 1 2 . 1 1 6 6 ARG H H 6 9.102 9.102 8.440 0.662 19033 304 1 2 . 1 1 7 7 ALA N N 7 127.309 127.309 128.071 -0.762 19033 305 1 2 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.744 0.081 19033 306 1 2 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.752 -1.742 19033 307 1 2 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.125 -1.565 19033 308 1 2 . 1 1 7 7 ALA H H 7 9.300 9.300 8.733 0.567 19033 309 1 2 . 1 1 8 8 ILE N N 8 119.944 119.944 118.174 1.770 19033 310 1 2 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.469 -0.176 19033 311 1 2 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.981 -1.908 19033 312 1 2 . 1 1 8 8 ILE CB C 8 36.125 36.125 38.536 -2.411 19033 313 1 2 . 1 1 8 8 ILE H H 8 9.095 9.095 8.797 0.298 19033 314 1 2 . 1 1 9 9 LEU N N 9 123.267 123.267 120.828 2.439 19033 315 1 2 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.912 -0.363 19033 316 1 2 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.183 -2.247 19033 317 1 2 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.404 -0.522 19033 318 1 2 . 1 1 9 9 LEU H H 9 7.738 7.738 7.624 0.114 19033 319 1 2 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.856 -0.322 19033 320 1 2 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.341 -3.195 19033 321 1 2 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.796 -2.431 19033 322 1 2 . 1 1 11 11 TYR N N 11 117.178 117.178 118.720 -1.542 19033 323 1 2 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.568 -0.498 19033 324 1 2 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.480 -1.177 19033 325 1 2 . 1 1 11 11 TYR CB C 11 39.864 39.864 41.730 -1.866 19033 326 1 2 . 1 1 11 11 TYR H H 11 7.754 7.754 8.029 -0.275 19033 327 1 2 . 1 1 12 12 THR N N 12 125.004 125.004 119.117 5.887 19033 328 1 2 . 1 1 12 12 THR HA H 12 4.224 4.224 4.399 -0.175 19033 329 1 2 . 1 1 12 12 THR CA C 12 57.833 57.833 61.406 -3.573 19033 330 1 2 . 1 1 12 12 THR CB C 12 66.962 66.962 69.193 -2.231 19033 331 1 2 . 1 1 12 12 THR H H 12 7.149 7.149 7.499 -0.350 19033 332 1 2 . 1 1 13 13 LYS N N 13 123.175 123.175 126.650 -3.475 19033 333 1 2 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.473 -0.325 19033 334 1 2 . 1 1 13 13 LYS CA C 13 52.749 52.749 56.328 -3.579 19033 335 1 2 . 1 1 13 13 LYS CB C 13 30.350 30.350 32.889 -2.539 19033 336 1 2 . 1 1 13 13 LYS H H 13 8.121 8.121 8.271 -0.150 19033 337 1 2 . 1 1 14 14 VAL N N 14 126.091 126.091 121.926 4.165 19033 338 1 2 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.080 -0.032 19033 339 1 2 . 1 1 14 14 VAL CA C 14 58.059 58.059 60.410 -2.351 19033 340 1 2 . 1 1 14 14 VAL CB C 14 29.394 29.394 32.584 -3.189 19033 341 1 2 . 1 1 14 14 VAL H H 14 8.061 8.061 8.349 -0.288 19033 342 1 2 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.627 -0.507 19033 343 1 2 . 1 1 15 15 PRO CA C 15 61.050 61.050 62.433 -1.383 19033 344 1 2 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.329 -2.634 19033 345 1 2 . 1 1 16 16 ASP N N 16 115.188 115.188 119.143 -3.955 19033 346 1 2 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.362 -0.075 19033 347 1 2 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.535 -2.346 19033 348 1 2 . 1 1 16 16 ASP CB C 16 36.311 36.311 39.218 -2.908 19033 349 1 2 . 1 1 16 16 ASP H H 16 8.808 8.808 8.915 -0.107 19033 350 1 2 . 1 1 17 17 THR N N 17 106.185 106.185 107.725 -1.540 19033 351 1 2 . 1 1 17 17 THR HA H 17 4.704 4.704 4.568 0.136 19033 352 1 2 . 1 1 17 17 THR CA C 17 58.069 58.069 60.071 -2.002 19033 353 1 2 . 1 1 17 17 THR CB C 17 70.764 70.764 71.500 -0.736 19033 354 1 2 . 1 1 17 17 THR H H 17 7.264 7.264 7.626 -0.362 19033 355 1 2 . 1 1 18 18 ASP N N 18 117.426 117.426 120.063 -2.637 19033 356 1 2 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.684 0.279 19033 357 1 2 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.551 -2.631 19033 358 1 2 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.946 -2.887 19033 359 1 2 . 1 1 18 18 ASP H H 18 8.855 8.855 8.546 0.309 19033 360 1 2 . 1 1 19 19 GLU N N 19 119.666 119.666 118.283 1.383 19033 361 1 2 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.866 -0.172 19033 362 1 2 . 1 1 19 19 GLU CA C 19 54.515 54.515 56.077 -1.562 19033 363 1 2 . 1 1 19 19 GLU CB C 19 29.535 29.535 32.117 -2.583 19033 364 1 2 . 1 1 19 19 GLU H H 19 7.603 7.603 7.846 -0.243 19033 365 1 2 . 1 1 20 20 ILE N N 20 109.127 109.127 117.621 -8.494 19033 366 1 2 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.564 0.289 19033 367 1 2 . 1 1 20 20 ILE CA C 20 56.257 56.257 60.066 -3.809 19033 368 1 2 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.499 -2.099 19033 369 1 2 . 1 1 20 20 ILE H H 20 6.909 6.909 7.732 -0.823 19033 370 1 2 . 1 1 21 21 SER N N 21 117.834 117.834 119.788 -1.954 19033 371 1 2 . 1 1 21 21 SER HA H 21 4.796 4.796 4.594 0.202 19033 372 1 2 . 1 1 21 21 SER CA C 21 54.907 54.907 58.325 -3.418 19033 373 1 2 . 1 1 21 21 SER CB C 21 61.426 61.426 63.911 -2.485 19033 374 1 2 . 1 1 21 21 SER H H 21 8.738 8.738 8.567 0.171 19033 375 1 2 . 1 1 22 22 PHE N N 22 116.177 116.177 116.292 -0.115 19033 376 1 2 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.425 -0.760 19033 377 1 2 . 1 1 22 22 PHE CA C 22 53.807 53.807 56.649 -2.842 19033 378 1 2 . 1 1 22 22 PHE CB C 22 38.324 38.324 41.468 -3.144 19033 379 1 2 . 1 1 22 22 PHE H H 22 8.860 8.860 7.591 1.269 19033 380 1 2 . 1 1 23 23 LEU N N 23 121.283 121.283 121.122 0.161 19033 381 1 2 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.807 -0.196 19033 382 1 2 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.154 -3.201 19033 383 1 2 . 1 1 23 23 LEU CB C 23 41.634 41.634 44.898 -3.264 19033 384 1 2 . 1 1 23 23 LEU H H 23 8.681 8.681 9.552 -0.871 19033 385 1 2 . 1 1 24 24 LYS N N 24 119.660 119.660 120.507 -0.847 19033 386 1 2 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.895 -0.573 19033 387 1 2 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.415 -1.987 19033 388 1 2 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.365 -2.378 19033 389 1 2 . 1 1 24 24 LYS H H 24 8.076 8.076 8.468 -0.392 19033 390 1 2 . 1 1 25 25 GLY N N 25 115.402 115.402 115.109 0.293 19033 391 1 2 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.780 -2.467 19033 392 1 2 . 1 1 25 25 GLY H H 25 8.569 8.569 8.646 -0.077 19033 393 1 2 . 1 1 26 26 ASP N N 26 122.287 122.287 121.641 0.646 19033 394 1 2 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.461 -0.154 19033 395 1 2 . 1 1 26 26 ASP CA C 26 53.273 53.273 55.618 -2.345 19033 396 1 2 . 1 1 26 26 ASP CB C 26 37.932 37.932 41.540 -3.608 19033 397 1 2 . 1 1 26 26 ASP H H 26 7.847 7.847 7.603 0.244 19033 398 1 2 . 1 1 27 27 MET N N 27 119.570 119.570 118.156 1.414 19033 399 1 2 . 1 1 27 27 MET HA H 27 5.070 5.070 4.322 0.748 19033 400 1 2 . 1 1 27 27 MET CA C 27 50.485 50.485 54.572 -4.087 19033 401 1 2 . 1 1 27 27 MET CB C 27 32.786 32.786 36.410 -3.624 19033 402 1 2 . 1 1 27 27 MET H H 27 8.117 8.117 8.378 -0.261 19033 403 1 2 . 1 1 28 28 PHE N N 28 116.911 116.911 121.027 -4.116 19033 404 1 2 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.619 0.040 19033 405 1 2 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.288 -3.051 19033 406 1 2 . 1 1 28 28 PHE CB C 28 39.127 39.127 42.686 -3.559 19033 407 1 2 . 1 1 28 28 PHE H H 28 8.909 8.909 8.827 0.082 19033 408 1 2 . 1 1 29 29 ILE N N 29 118.126 118.126 118.021 0.105 19033 409 1 2 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.627 -0.073 19033 410 1 2 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.718 -3.170 19033 411 1 2 . 1 1 29 29 ILE CB C 29 37.618 37.618 40.088 -2.470 19033 412 1 2 . 1 1 29 29 ILE H H 29 8.060 8.060 8.413 -0.353 19033 413 1 2 . 1 1 30 30 VAL N N 30 125.411 125.411 125.505 -0.094 19033 414 1 2 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.939 -0.075 19033 415 1 2 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.844 -3.970 19033 416 1 2 . 1 1 30 30 VAL CB C 30 29.863 29.863 30.953 -1.090 19033 417 1 2 . 1 1 30 30 VAL H H 30 8.331 8.331 8.508 -0.177 19033 418 1 2 . 1 1 31 31 HIS N N 31 127.208 127.208 128.426 -1.218 19033 419 1 2 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.846 -0.148 19033 420 1 2 . 1 1 31 31 HIS CA C 31 54.672 54.672 57.625 -2.953 19033 421 1 2 . 1 1 31 31 HIS CB C 31 28.040 28.040 32.995 -4.955 19033 422 1 2 . 1 1 31 31 HIS H H 31 9.289 9.289 9.132 0.157 19033 423 1 2 . 1 1 32 32 ASN N N 32 112.446 112.446 116.528 -4.082 19033 424 1 2 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.972 -0.022 19033 425 1 2 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.466 -1.794 19033 426 1 2 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.812 -2.522 19033 427 1 2 . 1 1 32 32 ASN H H 32 7.866 7.866 8.189 -0.323 19033 428 1 2 . 1 1 33 33 GLU N N 33 123.553 123.553 121.522 2.031 19033 429 1 2 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.728 -0.323 19033 430 1 2 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.806 -1.702 19033 431 1 2 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.646 -3.968 19033 432 1 2 . 1 1 33 33 GLU H H 33 8.723 8.723 8.616 0.107 19033 433 1 2 . 1 1 34 34 LEU N N 34 125.739 125.739 124.843 0.896 19033 434 1 2 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.791 -0.141 19033 435 1 2 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.815 -2.471 19033 436 1 2 . 1 1 34 34 LEU CB C 34 39.813 39.813 44.420 -4.607 19033 437 1 2 . 1 1 34 34 LEU H H 34 8.488 8.488 8.637 -0.149 19033 438 1 2 . 1 1 35 35 GLU N N 35 117.915 117.915 121.644 -3.729 19033 439 1 2 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.364 -0.075 19033 440 1 2 . 1 1 35 35 GLU CA C 35 54.432 54.432 57.650 -3.217 19033 441 1 2 . 1 1 35 35 GLU CB C 35 27.756 27.756 29.526 -1.770 19033 442 1 2 . 1 1 35 35 GLU H H 35 8.174 8.174 8.881 -0.707 19033 443 1 2 . 1 1 36 36 ASP N N 36 116.640 116.640 116.440 0.200 19033 444 1 2 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.755 -0.392 19033 445 1 2 . 1 1 36 36 ASP CA C 36 52.392 52.392 53.439 -1.047 19033 446 1 2 . 1 1 36 36 ASP CB C 36 37.268 37.268 40.395 -3.127 19033 447 1 2 . 1 1 36 36 ASP H H 36 8.755 8.755 7.881 0.874 19033 448 1 2 . 1 1 37 37 GLY N N 37 104.775 104.775 107.220 -2.445 19033 449 1 2 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.064 -1.998 19033 450 1 2 . 1 1 37 37 GLY H H 37 8.235 8.235 7.934 0.301 19033 451 1 2 . 1 1 38 38 TRP N N 38 119.789 119.789 120.458 -0.669 19033 452 1 2 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.319 -0.367 19033 453 1 2 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.801 -1.112 19033 454 1 2 . 1 1 38 38 TRP CB C 38 28.348 28.348 32.902 -4.554 19033 455 1 2 . 1 1 38 38 TRP H H 38 7.331 7.331 7.451 -0.120 19033 456 1 2 . 1 1 39 39 MET N N 39 118.460 118.460 118.657 -0.197 19033 457 1 2 . 1 1 39 39 MET HA H 39 4.941 4.941 5.188 -0.247 19033 458 1 2 . 1 1 39 39 MET CA C 39 52.194 52.194 54.917 -2.723 19033 459 1 2 . 1 1 39 39 MET CB C 39 35.101 35.101 37.237 -2.136 19033 460 1 2 . 1 1 39 39 MET H H 39 9.330 9.330 9.297 0.033 19033 461 1 2 . 1 1 40 40 TRP N N 40 123.201 123.201 126.467 -3.266 19033 462 1 2 . 1 1 40 40 TRP HA H 40 5.068 5.068 4.994 0.074 19033 463 1 2 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.106 -3.785 19033 464 1 2 . 1 1 40 40 TRP CB C 40 27.857 27.857 31.028 -3.171 19033 465 1 2 . 1 1 40 40 TRP H H 40 8.777 8.777 8.982 -0.205 19033 466 1 2 . 1 1 41 41 VAL N N 41 120.754 120.754 120.024 0.730 19033 467 1 2 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.506 -0.059 19033 468 1 2 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.012 -2.301 19033 469 1 2 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.378 -0.950 19033 470 1 2 . 1 1 41 41 VAL H H 41 8.755 8.755 8.647 0.108 19033 471 1 2 . 1 1 42 42 THR N N 42 112.967 112.967 116.237 -3.270 19033 472 1 2 . 1 1 42 42 THR HA H 42 4.999 4.999 4.941 0.057 19033 473 1 2 . 1 1 42 42 THR CA C 42 59.763 59.763 61.918 -2.155 19033 474 1 2 . 1 1 42 42 THR CB C 42 68.696 68.696 70.349 -1.653 19033 475 1 2 . 1 1 42 42 THR H H 42 8.142 8.142 8.167 -0.025 19033 476 1 2 . 1 1 43 43 ASN N N 43 124.680 124.680 123.544 1.136 19033 477 1 2 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.135 -0.726 19033 478 1 2 . 1 1 43 43 ASN CA C 43 50.340 50.340 51.683 -1.343 19033 479 1 2 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.383 -2.597 19033 480 1 2 . 1 1 43 43 ASN H H 43 8.848 8.848 9.091 -0.243 19033 481 1 2 . 1 1 44 44 LEU N N 44 126.753 126.753 126.548 0.205 19033 482 1 2 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.191 -0.142 19033 483 1 2 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.513 -2.258 19033 484 1 2 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.400 -2.753 19033 485 1 2 . 1 1 44 44 LEU H H 44 8.841 8.841 8.056 0.785 19033 486 1 2 . 1 1 45 45 ARG N N 45 119.154 119.154 119.048 0.106 19033 487 1 2 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.104 0.051 19033 488 1 2 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.579 -2.260 19033 489 1 2 . 1 1 45 45 ARG CB C 45 27.552 27.552 31.036 -3.484 19033 490 1 2 . 1 1 45 45 ARG H H 45 8.452 8.452 8.230 0.222 19033 491 1 2 . 1 1 46 46 THR N N 46 105.128 105.128 106.332 -1.204 19033 492 1 2 . 1 1 46 46 THR HA H 46 4.180 4.180 4.571 -0.391 19033 493 1 2 . 1 1 46 46 THR CA C 46 58.368 58.368 61.679 -3.311 19033 494 1 2 . 1 1 46 46 THR CB C 46 67.991 67.991 71.379 -3.388 19033 495 1 2 . 1 1 46 46 THR H H 46 6.842 6.842 7.634 -0.792 19033 496 1 2 . 1 1 47 47 ASP N N 47 120.147 120.147 119.993 0.154 19033 497 1 2 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.395 -0.122 19033 498 1 2 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.657 -2.064 19033 499 1 2 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.245 -2.497 19033 500 1 2 . 1 1 47 47 ASP H H 47 8.650 8.650 8.300 0.350 19033 501 1 2 . 1 1 48 48 GLU N N 48 117.574 117.574 118.631 -1.057 19033 502 1 2 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.188 0.106 19033 503 1 2 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.595 -3.852 19033 504 1 2 . 1 1 48 48 GLU CB C 48 29.503 29.503 30.640 -1.137 19033 505 1 2 . 1 1 48 48 GLU H H 48 7.454 7.454 7.865 -0.411 19033 506 1 2 . 1 1 49 49 GLN N N 49 119.154 119.154 120.134 -0.980 19033 507 1 2 . 1 1 49 49 GLN HA H 49 5.649 5.649 5.187 0.462 19033 508 1 2 . 1 1 49 49 GLN CA C 49 50.614 50.614 54.727 -4.113 19033 509 1 2 . 1 1 49 49 GLN CB C 49 29.447 29.447 33.485 -4.038 19033 510 1 2 . 1 1 49 49 GLN H H 49 8.314 8.314 8.492 -0.178 19033 511 1 2 . 1 1 50 50 GLY N N 50 108.506 108.506 107.403 1.103 19033 512 1 2 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.615 -2.360 19033 513 1 2 . 1 1 50 50 GLY H H 50 7.795 7.795 8.299 -0.504 19033 514 1 2 . 1 1 51 51 LEU N N 51 119.484 119.484 120.801 -1.317 19033 515 1 2 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.000 0.378 19033 516 1 2 . 1 1 51 51 LEU CA C 51 51.274 51.274 54.984 -3.710 19033 517 1 2 . 1 1 51 51 LEU CB C 51 43.574 43.574 42.796 0.778 19033 518 1 2 . 1 1 51 51 LEU H H 51 7.748 7.748 7.915 -0.167 19033 519 1 2 . 1 1 52 52 ILE N N 52 114.127 114.127 115.850 -1.723 19033 520 1 2 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.652 -0.007 19033 521 1 2 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.832 -2.492 19033 522 1 2 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.252 -1.347 19033 523 1 2 . 1 1 52 52 ILE H H 52 8.802 8.802 8.804 -0.002 19033 524 1 2 . 1 1 53 53 VAL N N 53 120.370 120.370 120.687 -0.317 19033 525 1 2 . 1 1 53 53 VAL HA H 53 4.018 4.018 4.136 -0.118 19033 526 1 2 . 1 1 53 53 VAL CA C 53 56.467 56.467 59.605 -3.139 19033 527 1 2 . 1 1 53 53 VAL CB C 53 30.327 30.327 34.136 -3.809 19033 528 1 2 . 1 1 53 53 VAL H H 53 7.495 7.495 7.841 -0.346 19033 529 1 2 . 1 1 54 54 GLU N N 54 122.759 122.759 127.047 -4.288 19033 530 1 2 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.969 -0.379 19033 531 1 2 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.812 -3.248 19033 532 1 2 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.249 -2.823 19033 533 1 2 . 1 1 54 54 GLU H H 54 8.104 8.104 8.563 -0.459 19033 534 1 2 . 1 1 55 55 ASP N N 55 114.708 114.708 120.752 -6.044 19033 535 1 2 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.364 -0.160 19033 536 1 2 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.449 -3.163 19033 537 1 2 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.803 -2.688 19033 538 1 2 . 1 1 55 55 ASP H H 55 7.394 7.394 8.348 -0.954 19033 539 1 2 . 1 1 56 56 LEU N N 56 116.100 116.100 117.640 -1.540 19033 540 1 2 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.696 -0.298 19033 541 1 2 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.104 -2.205 19033 542 1 2 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.100 -3.537 19033 543 1 2 . 1 1 56 56 LEU H H 56 7.121 7.121 7.326 -0.205 19033 544 1 2 . 1 1 57 57 VAL N N 57 109.850 109.850 114.186 -4.336 19033 545 1 2 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.131 0.250 19033 546 1 2 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.550 -2.990 19033 547 1 2 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.327 -1.583 19033 548 1 2 . 1 1 57 57 VAL H H 57 7.438 7.438 7.259 0.179 19033 549 1 2 . 1 1 58 58 GLU N N 58 116.558 116.558 120.767 -4.209 19033 550 1 2 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.638 0.197 19033 551 1 2 . 1 1 58 58 GLU CA C 58 50.156 50.156 54.127 -3.970 19033 552 1 2 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.808 -2.454 19033 553 1 2 . 1 1 58 58 GLU H H 58 8.886 8.886 8.929 -0.043 19033 554 1 2 . 1 1 59 59 GLU N N 59 121.900 121.900 123.671 -1.771 19033 555 1 2 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.244 -0.015 19033 556 1 2 . 1 1 59 59 GLU CA C 59 54.417 54.417 56.684 -2.268 19033 557 1 2 . 1 1 59 59 GLU CB C 59 27.517 27.517 29.124 -1.607 19033 558 1 2 . 1 1 59 59 GLU H H 59 8.659 8.659 8.710 -0.051 19033 559 1 2 . 1 1 60 60 VAL N N 60 122.505 122.505 125.811 -3.306 19033 560 1 2 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.050 0.037 19033 561 1 2 . 1 1 60 60 VAL CA C 60 59.466 59.466 62.190 -2.724 19033 562 1 2 . 1 1 60 60 VAL CB C 60 30.306 30.306 32.450 -2.144 19033 563 1 2 . 1 1 60 60 VAL H H 60 8.069 8.069 7.813 0.256 19033 564 1 2 . 1 1 61 61 GLY N N 61 112.799 112.799 115.491 -2.692 19033 565 1 2 . 1 1 61 61 GLY CA C 61 42.709 42.709 45.005 -2.296 19033 566 1 2 . 1 1 61 61 GLY H H 61 8.383 8.383 8.432 -0.049 19033 567 1 3 . 1 1 3 3 ARG N N 3 123.172 123.172 122.162 1.010 19033 568 1 3 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.504 -0.206 19033 569 1 3 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.894 -0.717 19033 570 1 3 . 1 1 3 3 ARG CB C 3 29.313 29.313 31.450 -2.137 19033 571 1 3 . 1 1 3 3 ARG H H 3 8.600 8.600 7.749 0.851 19033 572 1 3 . 1 1 4 4 ARG N N 4 122.811 122.811 124.630 -1.819 19033 573 1 3 . 1 1 4 4 ARG HA H 4 5.445 5.445 5.208 0.237 19033 574 1 3 . 1 1 4 4 ARG CA C 4 51.948 51.948 55.042 -3.094 19033 575 1 3 . 1 1 4 4 ARG CB C 4 30.814 30.814 34.185 -3.371 19033 576 1 3 . 1 1 4 4 ARG H H 4 8.458 8.458 8.771 -0.313 19033 577 1 3 . 1 1 5 5 VAL N N 5 112.133 112.133 114.531 -2.398 19033 578 1 3 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.149 -0.065 19033 579 1 3 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.188 -3.294 19033 580 1 3 . 1 1 5 5 VAL CB C 5 33.614 33.614 36.122 -2.508 19033 581 1 3 . 1 1 5 5 VAL H H 5 8.173 8.173 8.647 -0.474 19033 582 1 3 . 1 1 6 6 ARG N N 6 120.981 120.981 121.630 -0.649 19033 583 1 3 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.898 0.717 19033 584 1 3 . 1 1 6 6 ARG CA C 6 50.883 50.883 54.439 -3.556 19033 585 1 3 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.247 -1.583 19033 586 1 3 . 1 1 6 6 ARG H H 6 9.102 9.102 8.568 0.534 19033 587 1 3 . 1 1 7 7 ALA N N 7 127.309 127.309 129.855 -2.546 19033 588 1 3 . 1 1 7 7 ALA HA H 7 4.825 4.825 5.026 -0.201 19033 589 1 3 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.508 -1.498 19033 590 1 3 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.379 -1.819 19033 591 1 3 . 1 1 7 7 ALA H H 7 9.300 9.300 8.842 0.458 19033 592 1 3 . 1 1 8 8 ILE N N 8 119.944 119.944 118.131 1.813 19033 593 1 3 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.672 -0.379 19033 594 1 3 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.804 -1.731 19033 595 1 3 . 1 1 8 8 ILE CB C 8 36.125 36.125 38.139 -2.014 19033 596 1 3 . 1 1 8 8 ILE H H 8 9.095 9.095 8.687 0.408 19033 597 1 3 . 1 1 9 9 LEU N N 9 123.267 123.267 120.971 2.296 19033 598 1 3 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.965 -0.416 19033 599 1 3 . 1 1 9 9 LEU CA C 9 49.936 49.936 51.990 -2.054 19033 600 1 3 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.292 -0.410 19033 601 1 3 . 1 1 9 9 LEU H H 9 7.738 7.738 7.696 0.042 19033 602 1 3 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.772 -0.238 19033 603 1 3 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.276 -3.131 19033 604 1 3 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.686 -2.321 19033 605 1 3 . 1 1 11 11 TYR N N 11 117.178 117.178 118.403 -1.225 19033 606 1 3 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.615 -0.545 19033 607 1 3 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.429 -1.126 19033 608 1 3 . 1 1 11 11 TYR CB C 11 39.864 39.864 42.108 -2.244 19033 609 1 3 . 1 1 11 11 TYR H H 11 7.754 7.754 7.865 -0.111 19033 610 1 3 . 1 1 12 12 THR N N 12 125.004 125.004 119.364 5.640 19033 611 1 3 . 1 1 12 12 THR HA H 12 4.224 4.224 4.514 -0.290 19033 612 1 3 . 1 1 12 12 THR CA C 12 57.833 57.833 61.112 -3.279 19033 613 1 3 . 1 1 12 12 THR CB C 12 66.962 66.962 69.216 -2.254 19033 614 1 3 . 1 1 12 12 THR H H 12 7.149 7.149 7.485 -0.336 19033 615 1 3 . 1 1 13 13 LYS N N 13 123.175 123.175 125.949 -2.774 19033 616 1 3 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.652 -0.504 19033 617 1 3 . 1 1 13 13 LYS CA C 13 52.749 52.749 56.120 -3.372 19033 618 1 3 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.404 -3.054 19033 619 1 3 . 1 1 13 13 LYS H H 13 8.121 8.121 8.482 -0.361 19033 620 1 3 . 1 1 14 14 VAL N N 14 126.091 126.091 121.926 4.165 19033 621 1 3 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.331 -0.283 19033 622 1 3 . 1 1 14 14 VAL CA C 14 58.059 58.059 59.989 -1.930 19033 623 1 3 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.252 -1.858 19033 624 1 3 . 1 1 14 14 VAL H H 14 8.061 8.061 9.025 -0.964 19033 625 1 3 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.475 -0.355 19033 626 1 3 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.602 -2.552 19033 627 1 3 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.126 -2.431 19033 628 1 3 . 1 1 16 16 ASP N N 16 115.188 115.188 117.818 -2.630 19033 629 1 3 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.411 -0.124 19033 630 1 3 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.070 -1.881 19033 631 1 3 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.465 -4.154 19033 632 1 3 . 1 1 16 16 ASP H H 16 8.808 8.808 8.751 0.057 19033 633 1 3 . 1 1 17 17 THR N N 17 106.185 106.185 110.055 -3.870 19033 634 1 3 . 1 1 17 17 THR HA H 17 4.704 4.704 4.559 0.145 19033 635 1 3 . 1 1 17 17 THR CA C 17 58.069 58.069 60.701 -2.632 19033 636 1 3 . 1 1 17 17 THR CB C 17 70.764 70.764 71.123 -0.359 19033 637 1 3 . 1 1 17 17 THR H H 17 7.264 7.264 7.518 -0.254 19033 638 1 3 . 1 1 18 18 ASP N N 18 117.426 117.426 119.514 -2.088 19033 639 1 3 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.619 0.344 19033 640 1 3 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.150 -2.230 19033 641 1 3 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.286 -2.227 19033 642 1 3 . 1 1 18 18 ASP H H 18 8.855 8.855 8.647 0.208 19033 643 1 3 . 1 1 19 19 GLU N N 19 119.666 119.666 119.051 0.615 19033 644 1 3 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.354 0.340 19033 645 1 3 . 1 1 19 19 GLU CA C 19 54.515 54.515 56.866 -2.351 19033 646 1 3 . 1 1 19 19 GLU CB C 19 29.535 29.535 30.919 -1.384 19033 647 1 3 . 1 1 19 19 GLU H H 19 7.603 7.603 7.295 0.308 19033 648 1 3 . 1 1 20 20 ILE N N 20 109.127 109.127 116.322 -7.195 19033 649 1 3 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.561 0.292 19033 650 1 3 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.563 -3.306 19033 651 1 3 . 1 1 20 20 ILE CB C 20 38.401 38.401 41.097 -2.696 19033 652 1 3 . 1 1 20 20 ILE H H 20 6.909 6.909 7.780 -0.871 19033 653 1 3 . 1 1 21 21 SER N N 21 117.834 117.834 120.286 -2.452 19033 654 1 3 . 1 1 21 21 SER HA H 21 4.796 4.796 4.581 0.215 19033 655 1 3 . 1 1 21 21 SER CA C 21 54.907 54.907 58.723 -3.816 19033 656 1 3 . 1 1 21 21 SER CB C 21 61.426 61.426 63.601 -2.175 19033 657 1 3 . 1 1 21 21 SER H H 21 8.738 8.738 8.187 0.551 19033 658 1 3 . 1 1 22 22 PHE N N 22 116.177 116.177 119.368 -3.191 19033 659 1 3 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.052 -0.387 19033 660 1 3 . 1 1 22 22 PHE CA C 22 53.807 53.807 56.090 -2.283 19033 661 1 3 . 1 1 22 22 PHE CB C 22 38.324 38.324 41.217 -2.893 19033 662 1 3 . 1 1 22 22 PHE H H 22 8.860 8.860 7.608 1.252 19033 663 1 3 . 1 1 23 23 LEU N N 23 121.283 121.283 120.395 0.888 19033 664 1 3 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.856 -0.245 19033 665 1 3 . 1 1 23 23 LEU CA C 23 49.953 49.953 52.975 -3.022 19033 666 1 3 . 1 1 23 23 LEU CB C 23 41.634 41.634 45.284 -3.650 19033 667 1 3 . 1 1 23 23 LEU H H 23 8.681 8.681 9.738 -1.057 19033 668 1 3 . 1 1 24 24 LYS N N 24 119.660 119.660 121.090 -1.430 19033 669 1 3 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.964 -0.642 19033 670 1 3 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.346 -1.919 19033 671 1 3 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.314 -2.327 19033 672 1 3 . 1 1 24 24 LYS H H 24 8.076 8.076 8.502 -0.426 19033 673 1 3 . 1 1 25 25 GLY N N 25 115.402 115.402 115.560 -0.158 19033 674 1 3 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.722 -2.409 19033 675 1 3 . 1 1 25 25 GLY H H 25 8.569 8.569 9.025 -0.456 19033 676 1 3 . 1 1 26 26 ASP N N 26 122.287 122.287 121.579 0.708 19033 677 1 3 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.525 -0.218 19033 678 1 3 . 1 1 26 26 ASP CA C 26 53.273 53.273 55.364 -2.091 19033 679 1 3 . 1 1 26 26 ASP CB C 26 37.932 37.932 41.913 -3.981 19033 680 1 3 . 1 1 26 26 ASP H H 26 7.847 7.847 7.819 0.028 19033 681 1 3 . 1 1 27 27 MET N N 27 119.570 119.570 117.252 2.318 19033 682 1 3 . 1 1 27 27 MET HA H 27 5.070 5.070 4.526 0.544 19033 683 1 3 . 1 1 27 27 MET CA C 27 50.485 50.485 54.623 -4.138 19033 684 1 3 . 1 1 27 27 MET CB C 27 32.786 32.786 36.955 -4.169 19033 685 1 3 . 1 1 27 27 MET H H 27 8.117 8.117 7.492 0.625 19033 686 1 3 . 1 1 28 28 PHE N N 28 116.911 116.911 118.973 -2.062 19033 687 1 3 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.570 0.089 19033 688 1 3 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.834 -3.597 19033 689 1 3 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.305 -4.178 19033 690 1 3 . 1 1 28 28 PHE H H 28 8.909 8.909 8.921 -0.012 19033 691 1 3 . 1 1 29 29 ILE N N 29 118.126 118.126 117.875 0.251 19033 692 1 3 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.647 -0.093 19033 693 1 3 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.802 -3.254 19033 694 1 3 . 1 1 29 29 ILE CB C 29 37.618 37.618 39.801 -2.183 19033 695 1 3 . 1 1 29 29 ILE H H 29 8.060 8.060 8.383 -0.323 19033 696 1 3 . 1 1 30 30 VAL N N 30 125.411 125.411 125.331 0.080 19033 697 1 3 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.864 -0.000 19033 698 1 3 . 1 1 30 30 VAL CA C 30 59.874 59.874 64.036 -4.162 19033 699 1 3 . 1 1 30 30 VAL CB C 30 29.863 29.863 30.924 -1.061 19033 700 1 3 . 1 1 30 30 VAL H H 30 8.331 8.331 8.373 -0.042 19033 701 1 3 . 1 1 31 31 HIS N N 31 127.208 127.208 127.320 -0.112 19033 702 1 3 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.878 -0.180 19033 703 1 3 . 1 1 31 31 HIS CA C 31 54.672 54.672 57.122 -2.450 19033 704 1 3 . 1 1 31 31 HIS CB C 31 28.040 28.040 33.125 -5.085 19033 705 1 3 . 1 1 31 31 HIS H H 31 9.289 9.289 9.113 0.176 19033 706 1 3 . 1 1 32 32 ASN N N 32 112.446 112.446 117.165 -4.719 19033 707 1 3 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.978 -0.028 19033 708 1 3 . 1 1 32 32 ASN CA C 32 50.672 50.672 53.137 -2.465 19033 709 1 3 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.846 -2.556 19033 710 1 3 . 1 1 32 32 ASN H H 32 7.866 7.866 8.081 -0.215 19033 711 1 3 . 1 1 33 33 GLU N N 33 123.553 123.553 121.550 2.003 19033 712 1 3 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.682 -0.277 19033 713 1 3 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.956 -1.852 19033 714 1 3 . 1 1 33 33 GLU CB C 33 27.678 27.678 30.887 -3.208 19033 715 1 3 . 1 1 33 33 GLU H H 33 8.723 8.723 8.710 0.013 19033 716 1 3 . 1 1 34 34 LEU N N 34 125.739 125.739 125.727 0.012 19033 717 1 3 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.662 -0.012 19033 718 1 3 . 1 1 34 34 LEU CA C 34 51.344 51.344 54.008 -2.664 19033 719 1 3 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.327 -3.514 19033 720 1 3 . 1 1 34 34 LEU H H 34 8.488 8.488 8.425 0.063 19033 721 1 3 . 1 1 35 35 GLU N N 35 117.915 117.915 119.569 -1.654 19033 722 1 3 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.560 -0.271 19033 723 1 3 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.490 -2.058 19033 724 1 3 . 1 1 35 35 GLU CB C 35 27.756 27.756 30.205 -2.449 19033 725 1 3 . 1 1 35 35 GLU H H 35 8.174 8.174 8.658 -0.484 19033 726 1 3 . 1 1 36 36 ASP N N 36 116.640 116.640 121.047 -4.407 19033 727 1 3 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.799 -0.436 19033 728 1 3 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.275 -1.883 19033 729 1 3 . 1 1 36 36 ASP CB C 36 37.268 37.268 40.763 -3.495 19033 730 1 3 . 1 1 36 36 ASP H H 36 8.755 8.755 8.290 0.465 19033 731 1 3 . 1 1 37 37 GLY N N 37 104.775 104.775 107.832 -3.057 19033 732 1 3 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.438 -2.372 19033 733 1 3 . 1 1 37 37 GLY H H 37 8.235 8.235 8.629 -0.394 19033 734 1 3 . 1 1 38 38 TRP N N 38 119.789 119.789 119.847 -0.058 19033 735 1 3 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.222 -0.270 19033 736 1 3 . 1 1 38 38 TRP CA C 38 54.689 54.689 56.395 -1.706 19033 737 1 3 . 1 1 38 38 TRP CB C 38 28.348 28.348 31.072 -2.724 19033 738 1 3 . 1 1 38 38 TRP H H 38 7.331 7.331 7.787 -0.456 19033 739 1 3 . 1 1 39 39 MET N N 39 118.460 118.460 117.042 1.418 19033 740 1 3 . 1 1 39 39 MET HA H 39 4.941 4.941 4.945 -0.004 19033 741 1 3 . 1 1 39 39 MET CA C 39 52.194 52.194 54.790 -2.596 19033 742 1 3 . 1 1 39 39 MET CB C 39 35.101 35.101 37.434 -2.333 19033 743 1 3 . 1 1 39 39 MET H H 39 9.330 9.330 8.944 0.386 19033 744 1 3 . 1 1 40 40 TRP N N 40 123.201 123.201 125.204 -2.003 19033 745 1 3 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.050 0.018 19033 746 1 3 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.302 -3.981 19033 747 1 3 . 1 1 40 40 TRP CB C 40 27.857 27.857 30.907 -3.050 19033 748 1 3 . 1 1 40 40 TRP H H 40 8.777 8.777 8.407 0.370 19033 749 1 3 . 1 1 41 41 VAL N N 41 120.754 120.754 117.677 3.077 19033 750 1 3 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.494 -0.047 19033 751 1 3 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.365 -2.654 19033 752 1 3 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.358 -0.930 19033 753 1 3 . 1 1 41 41 VAL H H 41 8.755 8.755 8.506 0.249 19033 754 1 3 . 1 1 42 42 THR N N 42 112.967 112.967 114.343 -1.376 19033 755 1 3 . 1 1 42 42 THR HA H 42 4.999 4.999 4.806 0.193 19033 756 1 3 . 1 1 42 42 THR CA C 42 59.763 59.763 61.502 -1.739 19033 757 1 3 . 1 1 42 42 THR CB C 42 68.696 68.696 71.566 -2.870 19033 758 1 3 . 1 1 42 42 THR H H 42 8.142 8.142 8.222 -0.080 19033 759 1 3 . 1 1 43 43 ASN N N 43 124.680 124.680 124.731 -0.051 19033 760 1 3 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.143 -0.734 19033 761 1 3 . 1 1 43 43 ASN CA C 43 50.340 50.340 51.965 -1.625 19033 762 1 3 . 1 1 43 43 ASN CB C 43 36.786 36.786 38.809 -2.023 19033 763 1 3 . 1 1 43 43 ASN H H 43 8.848 8.848 9.020 -0.172 19033 764 1 3 . 1 1 44 44 LEU N N 44 126.753 126.753 126.182 0.571 19033 765 1 3 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.281 -0.232 19033 766 1 3 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.042 -1.787 19033 767 1 3 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.400 -2.753 19033 768 1 3 . 1 1 44 44 LEU H H 44 8.841 8.841 7.950 0.891 19033 769 1 3 . 1 1 45 45 ARG N N 45 119.154 119.154 121.005 -1.851 19033 770 1 3 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.121 0.034 19033 771 1 3 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.755 -2.436 19033 772 1 3 . 1 1 45 45 ARG CB C 45 27.552 27.552 30.931 -3.380 19033 773 1 3 . 1 1 45 45 ARG H H 45 8.452 8.452 8.674 -0.222 19033 774 1 3 . 1 1 46 46 THR N N 46 105.128 105.128 107.677 -2.549 19033 775 1 3 . 1 1 46 46 THR HA H 46 4.180 4.180 4.497 -0.317 19033 776 1 3 . 1 1 46 46 THR CA C 46 58.368 58.368 61.757 -3.389 19033 777 1 3 . 1 1 46 46 THR CB C 46 67.991 67.991 70.715 -2.724 19033 778 1 3 . 1 1 46 46 THR H H 46 6.842 6.842 7.741 -0.899 19033 779 1 3 . 1 1 47 47 ASP N N 47 120.147 120.147 118.831 1.316 19033 780 1 3 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.359 -0.086 19033 781 1 3 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.851 -2.258 19033 782 1 3 . 1 1 47 47 ASP CB C 47 37.748 37.748 38.832 -1.084 19033 783 1 3 . 1 1 47 47 ASP H H 47 8.650 8.650 8.228 0.422 19033 784 1 3 . 1 1 48 48 GLU N N 48 117.574 117.574 121.343 -3.769 19033 785 1 3 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.141 0.153 19033 786 1 3 . 1 1 48 48 GLU CA C 48 53.743 53.743 56.555 -2.812 19033 787 1 3 . 1 1 48 48 GLU CB C 48 29.503 29.503 29.610 -0.107 19033 788 1 3 . 1 1 48 48 GLU H H 48 7.454 7.454 7.720 -0.266 19033 789 1 3 . 1 1 49 49 GLN N N 49 119.154 119.154 124.176 -5.022 19033 790 1 3 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.393 1.256 19033 791 1 3 . 1 1 49 49 GLN CA C 49 50.614 50.614 56.171 -5.557 19033 792 1 3 . 1 1 49 49 GLN CB C 49 29.447 29.447 29.736 -0.289 19033 793 1 3 . 1 1 49 49 GLN H H 49 8.314 8.314 8.204 0.110 19033 794 1 3 . 1 1 50 50 GLY N N 50 108.506 108.506 106.175 2.331 19033 795 1 3 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.238 -1.983 19033 796 1 3 . 1 1 50 50 GLY H H 50 7.795 7.795 7.493 0.302 19033 797 1 3 . 1 1 51 51 LEU N N 51 119.484 119.484 121.363 -1.879 19033 798 1 3 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.357 0.021 19033 799 1 3 . 1 1 51 51 LEU CA C 51 51.274 51.274 53.694 -2.420 19033 800 1 3 . 1 1 51 51 LEU CB C 51 43.574 43.574 44.230 -0.656 19033 801 1 3 . 1 1 51 51 LEU H H 51 7.748 7.748 7.812 -0.064 19033 802 1 3 . 1 1 52 52 ILE N N 52 114.127 114.127 116.706 -2.579 19033 803 1 3 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.760 -0.115 19033 804 1 3 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.971 -2.631 19033 805 1 3 . 1 1 52 52 ILE CB C 52 39.906 39.906 40.908 -1.002 19033 806 1 3 . 1 1 52 52 ILE H H 52 8.802 8.802 8.399 0.403 19033 807 1 3 . 1 1 53 53 VAL N N 53 120.370 120.370 122.151 -1.781 19033 808 1 3 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.907 0.111 19033 809 1 3 . 1 1 53 53 VAL CA C 53 56.467 56.467 59.404 -2.937 19033 810 1 3 . 1 1 53 53 VAL CB C 53 30.327 30.327 33.972 -3.646 19033 811 1 3 . 1 1 53 53 VAL H H 53 7.495 7.495 7.978 -0.483 19033 812 1 3 . 1 1 54 54 GLU N N 54 122.759 122.759 127.403 -4.644 19033 813 1 3 . 1 1 54 54 GLU HA H 54 3.590 3.590 4.010 -0.420 19033 814 1 3 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.429 -2.865 19033 815 1 3 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.177 -2.751 19033 816 1 3 . 1 1 54 54 GLU H H 54 8.104 8.104 8.400 -0.296 19033 817 1 3 . 1 1 55 55 ASP N N 55 114.708 114.708 120.468 -5.760 19033 818 1 3 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.377 -0.173 19033 819 1 3 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.395 -3.109 19033 820 1 3 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.738 -2.623 19033 821 1 3 . 1 1 55 55 ASP H H 55 7.394 7.394 8.441 -1.047 19033 822 1 3 . 1 1 56 56 LEU N N 56 116.100 116.100 117.881 -1.781 19033 823 1 3 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.696 -0.298 19033 824 1 3 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.235 -2.336 19033 825 1 3 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.124 -3.560 19033 826 1 3 . 1 1 56 56 LEU H H 56 7.121 7.121 7.370 -0.249 19033 827 1 3 . 1 1 57 57 VAL N N 57 109.850 109.850 113.270 -3.420 19033 828 1 3 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.143 0.238 19033 829 1 3 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.669 -3.108 19033 830 1 3 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.576 -1.832 19033 831 1 3 . 1 1 57 57 VAL H H 57 7.438 7.438 7.325 0.113 19033 832 1 3 . 1 1 58 58 GLU N N 58 116.558 116.558 122.994 -6.436 19033 833 1 3 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.680 0.155 19033 834 1 3 . 1 1 58 58 GLU CA C 58 50.156 50.156 53.965 -3.809 19033 835 1 3 . 1 1 58 58 GLU CB C 58 30.354 30.354 31.804 -1.450 19033 836 1 3 . 1 1 58 58 GLU H H 58 8.886 8.886 8.797 0.089 19033 837 1 3 . 1 1 59 59 GLU N N 59 121.900 121.900 121.702 0.198 19033 838 1 3 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.179 0.050 19033 839 1 3 . 1 1 59 59 GLU CA C 59 54.417 54.417 56.348 -1.931 19033 840 1 3 . 1 1 59 59 GLU CB C 59 27.517 27.517 28.242 -0.725 19033 841 1 3 . 1 1 59 59 GLU H H 59 8.659 8.659 8.808 -0.149 19033 842 1 3 . 1 1 60 60 VAL N N 60 122.505 122.505 123.023 -0.518 19033 843 1 3 . 1 1 60 60 VAL HA H 60 4.087 4.087 3.966 0.121 19033 844 1 3 . 1 1 60 60 VAL CA C 60 59.466 59.466 63.157 -3.691 19033 845 1 3 . 1 1 60 60 VAL CB C 60 30.306 30.306 33.106 -2.800 19033 846 1 3 . 1 1 60 60 VAL H H 60 8.069 8.069 7.770 0.299 19033 847 1 3 . 1 1 61 61 GLY N N 61 112.799 112.799 113.983 -1.184 19033 848 1 3 . 1 1 61 61 GLY CA C 61 42.709 42.709 45.212 -2.503 19033 849 1 3 . 1 1 61 61 GLY H H 61 8.383 8.383 8.662 -0.279 19033 850 1 4 . 1 1 3 3 ARG N N 3 123.172 123.172 119.537 3.635 19033 851 1 4 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.393 -0.095 19033 852 1 4 . 1 1 3 3 ARG CA C 3 54.177 54.177 55.636 -1.459 19033 853 1 4 . 1 1 3 3 ARG CB C 3 29.313 29.313 30.905 -1.592 19033 854 1 4 . 1 1 3 3 ARG H H 3 8.600 8.600 7.825 0.775 19033 855 1 4 . 1 1 4 4 ARG N N 4 122.811 122.811 118.664 4.147 19033 856 1 4 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.930 0.515 19033 857 1 4 . 1 1 4 4 ARG CA C 4 51.948 51.948 54.976 -3.028 19033 858 1 4 . 1 1 4 4 ARG CB C 4 30.814 30.814 32.946 -2.132 19033 859 1 4 . 1 1 4 4 ARG H H 4 8.458 8.458 8.428 0.030 19033 860 1 4 . 1 1 5 5 VAL N N 5 112.133 112.133 114.344 -2.211 19033 861 1 4 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.002 0.082 19033 862 1 4 . 1 1 5 5 VAL CA C 5 55.894 55.894 58.936 -3.042 19033 863 1 4 . 1 1 5 5 VAL CB C 5 33.614 33.614 36.251 -2.637 19033 864 1 4 . 1 1 5 5 VAL H H 5 8.173 8.173 8.725 -0.552 19033 865 1 4 . 1 1 6 6 ARG N N 6 120.981 120.981 120.890 0.091 19033 866 1 4 . 1 1 6 6 ARG HA H 6 5.615 5.615 5.115 0.500 19033 867 1 4 . 1 1 6 6 ARG CA C 6 50.883 50.883 54.191 -3.308 19033 868 1 4 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.839 -2.175 19033 869 1 4 . 1 1 6 6 ARG H H 6 9.102 9.102 8.400 0.702 19033 870 1 4 . 1 1 7 7 ALA N N 7 127.309 127.309 129.714 -2.405 19033 871 1 4 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.854 -0.029 19033 872 1 4 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.998 -1.988 19033 873 1 4 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.218 -1.658 19033 874 1 4 . 1 1 7 7 ALA H H 7 9.300 9.300 9.025 0.275 19033 875 1 4 . 1 1 8 8 ILE N N 8 119.944 119.944 118.151 1.793 19033 876 1 4 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.656 -0.363 19033 877 1 4 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.894 -1.821 19033 878 1 4 . 1 1 8 8 ILE CB C 8 36.125 36.125 38.270 -2.145 19033 879 1 4 . 1 1 8 8 ILE H H 8 9.095 9.095 8.996 0.099 19033 880 1 4 . 1 1 9 9 LEU N N 9 123.267 123.267 121.437 1.830 19033 881 1 4 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.963 -0.414 19033 882 1 4 . 1 1 9 9 LEU CA C 9 49.936 49.936 51.832 -1.896 19033 883 1 4 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.262 -0.380 19033 884 1 4 . 1 1 9 9 LEU H H 9 7.738 7.738 7.687 0.051 19033 885 1 4 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.785 -0.251 19033 886 1 4 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.228 -3.082 19033 887 1 4 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.781 -2.416 19033 888 1 4 . 1 1 11 11 TYR N N 11 117.178 117.178 121.510 -4.332 19033 889 1 4 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.518 -0.448 19033 890 1 4 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.490 -1.187 19033 891 1 4 . 1 1 11 11 TYR CB C 11 39.864 39.864 41.254 -1.390 19033 892 1 4 . 1 1 11 11 TYR H H 11 7.754 7.754 8.833 -1.079 19033 893 1 4 . 1 1 12 12 THR N N 12 125.004 125.004 123.728 1.276 19033 894 1 4 . 1 1 12 12 THR HA H 12 4.224 4.224 4.142 0.082 19033 895 1 4 . 1 1 12 12 THR CA C 12 57.833 57.833 62.387 -4.554 19033 896 1 4 . 1 1 12 12 THR CB C 12 66.962 66.962 68.688 -1.726 19033 897 1 4 . 1 1 12 12 THR H H 12 7.149 7.149 7.789 -0.640 19033 898 1 4 . 1 1 13 13 LYS N N 13 123.175 123.175 124.599 -1.424 19033 899 1 4 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.398 -0.250 19033 900 1 4 . 1 1 13 13 LYS CA C 13 52.749 52.749 56.032 -3.283 19033 901 1 4 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.161 -2.811 19033 902 1 4 . 1 1 13 13 LYS H H 13 8.121 8.121 8.234 -0.113 19033 903 1 4 . 1 1 14 14 VAL N N 14 126.091 126.091 121.618 4.473 19033 904 1 4 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.214 -0.166 19033 905 1 4 . 1 1 14 14 VAL CA C 14 58.059 58.059 60.535 -2.476 19033 906 1 4 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.384 -1.990 19033 907 1 4 . 1 1 14 14 VAL H H 14 8.061 8.061 8.597 -0.536 19033 908 1 4 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.373 -0.253 19033 909 1 4 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.153 -2.103 19033 910 1 4 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.223 -2.528 19033 911 1 4 . 1 1 16 16 ASP N N 16 115.188 115.188 115.819 -0.631 19033 912 1 4 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.402 -0.115 19033 913 1 4 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.270 -2.081 19033 914 1 4 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.351 -4.040 19033 915 1 4 . 1 1 16 16 ASP H H 16 8.808 8.808 9.019 -0.211 19033 916 1 4 . 1 1 17 17 THR N N 17 106.185 106.185 109.846 -3.661 19033 917 1 4 . 1 1 17 17 THR HA H 17 4.704 4.704 4.550 0.154 19033 918 1 4 . 1 1 17 17 THR CA C 17 58.069 58.069 60.055 -1.986 19033 919 1 4 . 1 1 17 17 THR CB C 17 70.764 70.764 71.124 -0.360 19033 920 1 4 . 1 1 17 17 THR H H 17 7.264 7.264 7.406 -0.142 19033 921 1 4 . 1 1 18 18 ASP N N 18 117.426 117.426 119.813 -2.387 19033 922 1 4 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.703 0.260 19033 923 1 4 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.135 -2.215 19033 924 1 4 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.216 -2.157 19033 925 1 4 . 1 1 18 18 ASP H H 18 8.855 8.855 8.659 0.196 19033 926 1 4 . 1 1 19 19 GLU N N 19 119.666 119.666 118.785 0.881 19033 927 1 4 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.337 0.357 19033 928 1 4 . 1 1 19 19 GLU CA C 19 54.515 54.515 56.643 -2.128 19033 929 1 4 . 1 1 19 19 GLU CB C 19 29.535 29.535 31.254 -1.719 19033 930 1 4 . 1 1 19 19 GLU H H 19 7.603 7.603 7.346 0.257 19033 931 1 4 . 1 1 20 20 ILE N N 20 109.127 109.127 117.633 -8.506 19033 932 1 4 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.630 0.223 19033 933 1 4 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.309 -3.052 19033 934 1 4 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.632 -2.231 19033 935 1 4 . 1 1 20 20 ILE H H 20 6.909 6.909 8.242 -1.333 19033 936 1 4 . 1 1 21 21 SER N N 21 117.834 117.834 118.238 -0.404 19033 937 1 4 . 1 1 21 21 SER HA H 21 4.796 4.796 4.880 -0.084 19033 938 1 4 . 1 1 21 21 SER CA C 21 54.907 54.907 58.170 -3.263 19033 939 1 4 . 1 1 21 21 SER CB C 21 61.426 61.426 64.799 -3.373 19033 940 1 4 . 1 1 21 21 SER H H 21 8.738 8.738 8.373 0.365 19033 941 1 4 . 1 1 22 22 PHE N N 22 116.177 116.177 114.537 1.640 19033 942 1 4 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.299 -0.634 19033 943 1 4 . 1 1 22 22 PHE CA C 22 53.807 53.807 57.082 -3.275 19033 944 1 4 . 1 1 22 22 PHE CB C 22 38.324 38.324 41.473 -3.149 19033 945 1 4 . 1 1 22 22 PHE H H 22 8.860 8.860 7.941 0.919 19033 946 1 4 . 1 1 23 23 LEU N N 23 121.283 121.283 119.948 1.335 19033 947 1 4 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.816 -0.205 19033 948 1 4 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.140 -3.187 19033 949 1 4 . 1 1 23 23 LEU CB C 23 41.634 41.634 45.404 -3.770 19033 950 1 4 . 1 1 23 23 LEU H H 23 8.681 8.681 8.862 -0.181 19033 951 1 4 . 1 1 24 24 LYS N N 24 119.660 119.660 121.665 -2.005 19033 952 1 4 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.889 -0.567 19033 953 1 4 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.341 -1.913 19033 954 1 4 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.088 -2.101 19033 955 1 4 . 1 1 24 24 LYS H H 24 8.076 8.076 8.538 -0.462 19033 956 1 4 . 1 1 25 25 GLY N N 25 115.402 115.402 115.733 -0.331 19033 957 1 4 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.629 -2.316 19033 958 1 4 . 1 1 25 25 GLY H H 25 8.569 8.569 8.970 -0.401 19033 959 1 4 . 1 1 26 26 ASP N N 26 122.287 122.287 121.645 0.642 19033 960 1 4 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.479 -0.172 19033 961 1 4 . 1 1 26 26 ASP CA C 26 53.273 53.273 55.591 -2.318 19033 962 1 4 . 1 1 26 26 ASP CB C 26 37.932 37.932 41.433 -3.501 19033 963 1 4 . 1 1 26 26 ASP H H 26 7.847 7.847 7.993 -0.146 19033 964 1 4 . 1 1 27 27 MET N N 27 119.570 119.570 116.587 2.983 19033 965 1 4 . 1 1 27 27 MET HA H 27 5.070 5.070 4.784 0.286 19033 966 1 4 . 1 1 27 27 MET CA C 27 50.485 50.485 54.446 -3.961 19033 967 1 4 . 1 1 27 27 MET CB C 27 32.786 32.786 37.332 -4.546 19033 968 1 4 . 1 1 27 27 MET H H 27 8.117 8.117 7.898 0.219 19033 969 1 4 . 1 1 28 28 PHE N N 28 116.911 116.911 116.978 -0.067 19033 970 1 4 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.650 0.009 19033 971 1 4 . 1 1 28 28 PHE CA C 28 52.237 52.237 56.080 -3.843 19033 972 1 4 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.278 -4.151 19033 973 1 4 . 1 1 28 28 PHE H H 28 8.909 8.909 9.218 -0.309 19033 974 1 4 . 1 1 29 29 ILE N N 29 118.126 118.126 117.045 1.081 19033 975 1 4 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.590 -0.036 19033 976 1 4 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.835 -3.287 19033 977 1 4 . 1 1 29 29 ILE CB C 29 37.618 37.618 40.800 -3.182 19033 978 1 4 . 1 1 29 29 ILE H H 29 8.060 8.060 8.271 -0.211 19033 979 1 4 . 1 1 30 30 VAL N N 30 125.411 125.411 125.527 -0.116 19033 980 1 4 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.942 -0.078 19033 981 1 4 . 1 1 30 30 VAL CA C 30 59.874 59.874 64.023 -4.149 19033 982 1 4 . 1 1 30 30 VAL CB C 30 29.863 29.863 31.374 -1.511 19033 983 1 4 . 1 1 30 30 VAL H H 30 8.331 8.331 8.440 -0.109 19033 984 1 4 . 1 1 31 31 HIS N N 31 127.208 127.208 127.878 -0.670 19033 985 1 4 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.864 -0.166 19033 986 1 4 . 1 1 31 31 HIS CA C 31 54.672 54.672 56.769 -2.097 19033 987 1 4 . 1 1 31 31 HIS CB C 31 28.040 28.040 33.169 -5.129 19033 988 1 4 . 1 1 31 31 HIS H H 31 9.289 9.289 9.168 0.121 19033 989 1 4 . 1 1 32 32 ASN N N 32 112.446 112.446 117.243 -4.797 19033 990 1 4 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.941 0.009 19033 991 1 4 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.691 -2.019 19033 992 1 4 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.517 -2.227 19033 993 1 4 . 1 1 32 32 ASN H H 32 7.866 7.866 8.137 -0.271 19033 994 1 4 . 1 1 33 33 GLU N N 33 123.553 123.553 121.181 2.372 19033 995 1 4 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.705 -0.300 19033 996 1 4 . 1 1 33 33 GLU CA C 33 54.104 54.104 56.083 -1.978 19033 997 1 4 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.796 -4.118 19033 998 1 4 . 1 1 33 33 GLU H H 33 8.723 8.723 8.723 0.000 19033 999 1 4 . 1 1 34 34 LEU N N 34 125.739 125.739 124.890 0.849 19033 1000 1 4 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.715 -0.065 19033 1001 1 4 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.797 -2.453 19033 1002 1 4 . 1 1 34 34 LEU CB C 34 39.813 39.813 44.557 -4.744 19033 1003 1 4 . 1 1 34 34 LEU H H 34 8.488 8.488 8.680 -0.192 19033 1004 1 4 . 1 1 35 35 GLU N N 35 117.915 117.915 120.703 -2.788 19033 1005 1 4 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.609 -0.320 19033 1006 1 4 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.736 -2.304 19033 1007 1 4 . 1 1 35 35 GLU CB C 35 27.756 27.756 29.860 -2.104 19033 1008 1 4 . 1 1 35 35 GLU H H 35 8.174 8.174 8.796 -0.622 19033 1009 1 4 . 1 1 36 36 ASP N N 36 116.640 116.640 121.387 -4.747 19033 1010 1 4 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.763 -0.400 19033 1011 1 4 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.851 -2.459 19033 1012 1 4 . 1 1 36 36 ASP CB C 36 37.268 37.268 41.510 -4.242 19033 1013 1 4 . 1 1 36 36 ASP H H 36 8.755 8.755 8.597 0.158 19033 1014 1 4 . 1 1 37 37 GLY N N 37 104.775 104.775 107.303 -2.528 19033 1015 1 4 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.236 -2.170 19033 1016 1 4 . 1 1 37 37 GLY H H 37 8.235 8.235 8.359 -0.124 19033 1017 1 4 . 1 1 38 38 TRP N N 38 119.789 119.789 118.663 1.126 19033 1018 1 4 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.288 -0.336 19033 1019 1 4 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.600 -0.911 19033 1020 1 4 . 1 1 38 38 TRP CB C 38 28.348 28.348 32.706 -4.358 19033 1021 1 4 . 1 1 38 38 TRP H H 38 7.331 7.331 7.465 -0.134 19033 1022 1 4 . 1 1 39 39 MET N N 39 118.460 118.460 116.359 2.101 19033 1023 1 4 . 1 1 39 39 MET HA H 39 4.941 4.941 5.053 -0.112 19033 1024 1 4 . 1 1 39 39 MET CA C 39 52.194 52.194 54.797 -2.603 19033 1025 1 4 . 1 1 39 39 MET CB C 39 35.101 35.101 37.275 -2.174 19033 1026 1 4 . 1 1 39 39 MET H H 39 9.330 9.330 8.437 0.893 19033 1027 1 4 . 1 1 40 40 TRP N N 40 123.201 123.201 123.055 0.146 19033 1028 1 4 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.478 -0.410 19033 1029 1 4 . 1 1 40 40 TRP CA C 40 54.321 54.321 56.885 -2.564 19033 1030 1 4 . 1 1 40 40 TRP CB C 40 27.857 27.857 32.360 -4.503 19033 1031 1 4 . 1 1 40 40 TRP H H 40 8.777 8.777 8.325 0.452 19033 1032 1 4 . 1 1 41 41 VAL N N 41 120.754 120.754 117.571 3.183 19033 1033 1 4 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.513 -0.066 19033 1034 1 4 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.202 -2.491 19033 1035 1 4 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.430 -1.002 19033 1036 1 4 . 1 1 41 41 VAL H H 41 8.755 8.755 7.699 1.056 19033 1037 1 4 . 1 1 42 42 THR N N 42 112.967 112.967 115.091 -2.124 19033 1038 1 4 . 1 1 42 42 THR HA H 42 4.999 4.999 4.985 0.014 19033 1039 1 4 . 1 1 42 42 THR CA C 42 59.763 59.763 61.546 -1.783 19033 1040 1 4 . 1 1 42 42 THR CB C 42 68.696 68.696 70.843 -2.147 19033 1041 1 4 . 1 1 42 42 THR H H 42 8.142 8.142 8.221 -0.079 19033 1042 1 4 . 1 1 43 43 ASN N N 43 124.680 124.680 124.063 0.617 19033 1043 1 4 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.086 -0.677 19033 1044 1 4 . 1 1 43 43 ASN CA C 43 50.340 50.340 52.200 -1.861 19033 1045 1 4 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.305 -2.519 19033 1046 1 4 . 1 1 43 43 ASN H H 43 8.848 8.848 9.039 -0.191 19033 1047 1 4 . 1 1 44 44 LEU N N 44 126.753 126.753 125.914 0.839 19033 1048 1 4 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.121 -0.072 19033 1049 1 4 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.588 -2.333 19033 1050 1 4 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.310 -2.663 19033 1051 1 4 . 1 1 44 44 LEU H H 44 8.841 8.841 8.492 0.349 19033 1052 1 4 . 1 1 45 45 ARG N N 45 119.154 119.154 118.653 0.501 19033 1053 1 4 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.091 0.064 19033 1054 1 4 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.424 -2.105 19033 1055 1 4 . 1 1 45 45 ARG CB C 45 27.552 27.552 30.945 -3.393 19033 1056 1 4 . 1 1 45 45 ARG H H 45 8.452 8.452 8.119 0.333 19033 1057 1 4 . 1 1 46 46 THR N N 46 105.128 105.128 109.776 -4.648 19033 1058 1 4 . 1 1 46 46 THR HA H 46 4.180 4.180 4.411 -0.231 19033 1059 1 4 . 1 1 46 46 THR CA C 46 58.368 58.368 62.660 -4.293 19033 1060 1 4 . 1 1 46 46 THR CB C 46 67.991 67.991 69.880 -1.889 19033 1061 1 4 . 1 1 46 46 THR H H 46 6.842 6.842 7.880 -1.038 19033 1062 1 4 . 1 1 47 47 ASP N N 47 120.147 120.147 120.440 -0.293 19033 1063 1 4 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.402 -0.129 19033 1064 1 4 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.824 -2.231 19033 1065 1 4 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.686 -2.938 19033 1066 1 4 . 1 1 47 47 ASP H H 47 8.650 8.650 8.337 0.313 19033 1067 1 4 . 1 1 48 48 GLU N N 48 117.574 117.574 118.985 -1.411 19033 1068 1 4 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.128 0.166 19033 1069 1 4 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.537 -3.794 19033 1070 1 4 . 1 1 48 48 GLU CB C 48 29.503 29.503 29.977 -0.474 19033 1071 1 4 . 1 1 48 48 GLU H H 48 7.454 7.454 8.325 -0.871 19033 1072 1 4 . 1 1 49 49 GLN N N 49 119.154 119.154 121.893 -2.739 19033 1073 1 4 . 1 1 49 49 GLN HA H 49 5.649 5.649 5.129 0.520 19033 1074 1 4 . 1 1 49 49 GLN CA C 49 50.614 50.614 54.525 -3.911 19033 1075 1 4 . 1 1 49 49 GLN CB C 49 29.447 29.447 31.461 -2.014 19033 1076 1 4 . 1 1 49 49 GLN H H 49 8.314 8.314 8.350 -0.036 19033 1077 1 4 . 1 1 50 50 GLY N N 50 108.506 108.506 105.839 2.667 19033 1078 1 4 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.308 -2.053 19033 1079 1 4 . 1 1 50 50 GLY H H 50 7.795 7.795 7.286 0.509 19033 1080 1 4 . 1 1 51 51 LEU N N 51 119.484 119.484 120.983 -1.499 19033 1081 1 4 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.145 0.233 19033 1082 1 4 . 1 1 51 51 LEU CA C 51 51.274 51.274 53.428 -2.154 19033 1083 1 4 . 1 1 51 51 LEU CB C 51 43.574 43.574 45.238 -1.664 19033 1084 1 4 . 1 1 51 51 LEU H H 51 7.748 7.748 7.768 -0.020 19033 1085 1 4 . 1 1 52 52 ILE N N 52 114.127 114.127 117.576 -3.449 19033 1086 1 4 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.772 -0.127 19033 1087 1 4 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.956 -2.616 19033 1088 1 4 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.173 -1.267 19033 1089 1 4 . 1 1 52 52 ILE H H 52 8.802 8.802 8.010 0.792 19033 1090 1 4 . 1 1 53 53 VAL N N 53 120.370 120.370 122.048 -1.678 19033 1091 1 4 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.417 0.601 19033 1092 1 4 . 1 1 53 53 VAL CA C 53 56.467 56.467 59.869 -3.402 19033 1093 1 4 . 1 1 53 53 VAL CB C 53 30.327 30.327 33.466 -3.139 19033 1094 1 4 . 1 1 53 53 VAL H H 53 7.495 7.495 7.988 -0.493 19033 1095 1 4 . 1 1 54 54 GLU N N 54 122.759 122.759 127.244 -4.485 19033 1096 1 4 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.900 -0.310 19033 1097 1 4 . 1 1 54 54 GLU CA C 54 55.564 55.564 59.029 -3.465 19033 1098 1 4 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.177 -2.751 19033 1099 1 4 . 1 1 54 54 GLU H H 54 8.104 8.104 7.999 0.105 19033 1100 1 4 . 1 1 55 55 ASP N N 55 114.708 114.708 118.822 -4.114 19033 1101 1 4 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.431 -0.227 19033 1102 1 4 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.318 -3.032 19033 1103 1 4 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.760 -2.645 19033 1104 1 4 . 1 1 55 55 ASP H H 55 7.394 7.394 8.278 -0.884 19033 1105 1 4 . 1 1 56 56 LEU N N 56 116.100 116.100 117.681 -1.581 19033 1106 1 4 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.729 -0.331 19033 1107 1 4 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.415 -2.516 19033 1108 1 4 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.585 -4.021 19033 1109 1 4 . 1 1 56 56 LEU H H 56 7.121 7.121 7.352 -0.231 19033 1110 1 4 . 1 1 57 57 VAL N N 57 109.850 109.850 115.430 -5.580 19033 1111 1 4 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.093 0.288 19033 1112 1 4 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.450 -2.890 19033 1113 1 4 . 1 1 57 57 VAL CB C 57 33.744 33.744 34.556 -0.812 19033 1114 1 4 . 1 1 57 57 VAL H H 57 7.438 7.438 7.300 0.138 19033 1115 1 4 . 1 1 58 58 GLU N N 58 116.558 116.558 121.185 -4.627 19033 1116 1 4 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.679 0.156 19033 1117 1 4 . 1 1 58 58 GLU CA C 58 50.156 50.156 54.050 -3.894 19033 1118 1 4 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.055 -1.701 19033 1119 1 4 . 1 1 58 58 GLU H H 58 8.886 8.886 8.926 -0.040 19033 1120 1 4 . 1 1 59 59 GLU N N 59 121.900 121.900 122.481 -0.581 19033 1121 1 4 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.198 0.031 19033 1122 1 4 . 1 1 59 59 GLU CA C 59 54.417 54.417 56.069 -1.652 19033 1123 1 4 . 1 1 59 59 GLU CB C 59 27.517 27.517 28.351 -0.834 19033 1124 1 4 . 1 1 59 59 GLU H H 59 8.659 8.659 8.734 -0.075 19033 1125 1 4 . 1 1 60 60 VAL N N 60 122.505 122.505 120.658 1.847 19033 1126 1 4 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.019 0.068 19033 1127 1 4 . 1 1 60 60 VAL CA C 60 59.466 59.466 62.523 -3.057 19033 1128 1 4 . 1 1 60 60 VAL CB C 60 30.306 30.306 33.019 -2.713 19033 1129 1 4 . 1 1 60 60 VAL H H 60 8.069 8.069 7.875 0.194 19033 1130 1 4 . 1 1 61 61 GLY N N 61 112.799 112.799 115.310 -2.511 19033 1131 1 4 . 1 1 61 61 GLY CA C 61 42.709 42.709 44.558 -1.849 19033 1132 1 4 . 1 1 61 61 GLY H H 61 8.383 8.383 8.524 -0.141 19033 1133 1 5 . 1 1 3 3 ARG N N 3 123.172 123.172 123.830 -0.658 19033 1134 1 5 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.941 -0.643 19033 1135 1 5 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.980 -0.803 19033 1136 1 5 . 1 1 3 3 ARG CB C 3 29.313 29.313 32.425 -3.112 19033 1137 1 5 . 1 1 3 3 ARG H H 3 8.600 8.600 8.471 0.129 19033 1138 1 5 . 1 1 4 4 ARG N N 4 122.811 122.811 117.817 4.994 19033 1139 1 5 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.604 0.841 19033 1140 1 5 . 1 1 4 4 ARG CA C 4 51.948 51.948 55.308 -3.360 19033 1141 1 5 . 1 1 4 4 ARG CB C 4 30.814 30.814 33.964 -3.150 19033 1142 1 5 . 1 1 4 4 ARG H H 4 8.458 8.458 8.549 -0.091 19033 1143 1 5 . 1 1 5 5 VAL N N 5 112.133 112.133 114.721 -2.588 19033 1144 1 5 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.085 -0.001 19033 1145 1 5 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.090 -3.196 19033 1146 1 5 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.911 -2.297 19033 1147 1 5 . 1 1 5 5 VAL H H 5 8.173 8.173 8.262 -0.089 19033 1148 1 5 . 1 1 6 6 ARG N N 6 120.981 120.981 120.596 0.385 19033 1149 1 5 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.879 0.736 19033 1150 1 5 . 1 1 6 6 ARG CA C 6 50.883 50.883 53.863 -2.980 19033 1151 1 5 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.772 -2.108 19033 1152 1 5 . 1 1 6 6 ARG H H 6 9.102 9.102 8.621 0.481 19033 1153 1 5 . 1 1 7 7 ALA N N 7 127.309 127.309 128.086 -0.777 19033 1154 1 5 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.757 0.068 19033 1155 1 5 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.961 -1.951 19033 1156 1 5 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.242 -1.683 19033 1157 1 5 . 1 1 7 7 ALA H H 7 9.300 9.300 8.950 0.350 19033 1158 1 5 . 1 1 8 8 ILE N N 8 119.944 119.944 117.850 2.094 19033 1159 1 5 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.536 -0.243 19033 1160 1 5 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.591 -1.518 19033 1161 1 5 . 1 1 8 8 ILE CB C 8 36.125 36.125 38.238 -2.113 19033 1162 1 5 . 1 1 8 8 ILE H H 8 9.095 9.095 8.934 0.161 19033 1163 1 5 . 1 1 9 9 LEU N N 9 123.267 123.267 121.472 1.795 19033 1164 1 5 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.986 -0.437 19033 1165 1 5 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.011 -2.075 19033 1166 1 5 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.544 -0.662 19033 1167 1 5 . 1 1 9 9 LEU H H 9 7.738 7.738 7.711 0.027 19033 1168 1 5 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.753 -0.219 19033 1169 1 5 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.013 -2.867 19033 1170 1 5 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.885 -2.520 19033 1171 1 5 . 1 1 11 11 TYR N N 11 117.178 117.178 118.286 -1.108 19033 1172 1 5 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.491 -0.421 19033 1173 1 5 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.713 -1.410 19033 1174 1 5 . 1 1 11 11 TYR CB C 11 39.864 39.864 42.319 -2.455 19033 1175 1 5 . 1 1 11 11 TYR H H 11 7.754 7.754 8.624 -0.870 19033 1176 1 5 . 1 1 12 12 THR N N 12 125.004 125.004 119.662 5.342 19033 1177 1 5 . 1 1 12 12 THR HA H 12 4.224 4.224 4.570 -0.346 19033 1178 1 5 . 1 1 12 12 THR CA C 12 57.833 57.833 61.001 -3.168 19033 1179 1 5 . 1 1 12 12 THR CB C 12 66.962 66.962 69.276 -2.314 19033 1180 1 5 . 1 1 12 12 THR H H 12 7.149 7.149 7.547 -0.398 19033 1181 1 5 . 1 1 13 13 LYS N N 13 123.175 123.175 126.881 -3.706 19033 1182 1 5 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.682 -0.534 19033 1183 1 5 . 1 1 13 13 LYS CA C 13 52.749 52.749 56.049 -3.300 19033 1184 1 5 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.264 -2.913 19033 1185 1 5 . 1 1 13 13 LYS H H 13 8.121 8.121 8.571 -0.450 19033 1186 1 5 . 1 1 14 14 VAL N N 14 126.091 126.091 121.524 4.567 19033 1187 1 5 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.201 -0.153 19033 1188 1 5 . 1 1 14 14 VAL CA C 14 58.059 58.059 60.401 -2.341 19033 1189 1 5 . 1 1 14 14 VAL CB C 14 29.394 29.394 30.744 -1.350 19033 1190 1 5 . 1 1 14 14 VAL H H 14 8.061 8.061 9.177 -1.116 19033 1191 1 5 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.432 -0.312 19033 1192 1 5 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.071 -2.021 19033 1193 1 5 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.288 -2.594 19033 1194 1 5 . 1 1 16 16 ASP N N 16 115.188 115.188 116.993 -1.805 19033 1195 1 5 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.397 -0.110 19033 1196 1 5 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.465 -2.276 19033 1197 1 5 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.516 -4.205 19033 1198 1 5 . 1 1 16 16 ASP H H 16 8.808 8.808 9.041 -0.233 19033 1199 1 5 . 1 1 17 17 THR N N 17 106.185 106.185 109.245 -3.060 19033 1200 1 5 . 1 1 17 17 THR HA H 17 4.704 4.704 4.575 0.129 19033 1201 1 5 . 1 1 17 17 THR CA C 17 58.069 58.069 60.228 -2.159 19033 1202 1 5 . 1 1 17 17 THR CB C 17 70.764 70.764 71.526 -0.762 19033 1203 1 5 . 1 1 17 17 THR H H 17 7.264 7.264 7.488 -0.224 19033 1204 1 5 . 1 1 18 18 ASP N N 18 117.426 117.426 119.026 -1.600 19033 1205 1 5 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.683 0.280 19033 1206 1 5 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.397 -2.477 19033 1207 1 5 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.750 -2.691 19033 1208 1 5 . 1 1 18 18 ASP H H 18 8.855 8.855 8.617 0.238 19033 1209 1 5 . 1 1 19 19 GLU N N 19 119.666 119.666 119.657 0.009 19033 1210 1 5 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.501 0.193 19033 1211 1 5 . 1 1 19 19 GLU CA C 19 54.515 54.515 56.956 -2.441 19033 1212 1 5 . 1 1 19 19 GLU CB C 19 29.535 29.535 30.901 -1.366 19033 1213 1 5 . 1 1 19 19 GLU H H 19 7.603 7.603 7.341 0.262 19033 1214 1 5 . 1 1 20 20 ILE N N 20 109.127 109.127 116.756 -7.629 19033 1215 1 5 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.638 0.215 19033 1216 1 5 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.918 -3.661 19033 1217 1 5 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.876 -2.475 19033 1218 1 5 . 1 1 20 20 ILE H H 20 6.909 6.909 8.113 -1.204 19033 1219 1 5 . 1 1 21 21 SER N N 21 117.834 117.834 120.522 -2.688 19033 1220 1 5 . 1 1 21 21 SER HA H 21 4.796 4.796 4.561 0.235 19033 1221 1 5 . 1 1 21 21 SER CA C 21 54.907 54.907 59.664 -4.757 19033 1222 1 5 . 1 1 21 21 SER CB C 21 61.426 61.426 63.787 -2.361 19033 1223 1 5 . 1 1 21 21 SER H H 21 8.738 8.738 8.278 0.460 19033 1224 1 5 . 1 1 22 22 PHE N N 22 116.177 116.177 115.237 0.940 19033 1225 1 5 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.069 -0.404 19033 1226 1 5 . 1 1 22 22 PHE CA C 22 53.807 53.807 56.673 -2.866 19033 1227 1 5 . 1 1 22 22 PHE CB C 22 38.324 38.324 40.627 -2.303 19033 1228 1 5 . 1 1 22 22 PHE H H 22 8.860 8.860 7.829 1.031 19033 1229 1 5 . 1 1 23 23 LEU N N 23 121.283 121.283 119.593 1.690 19033 1230 1 5 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.787 -0.176 19033 1231 1 5 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.070 -3.117 19033 1232 1 5 . 1 1 23 23 LEU CB C 23 41.634 41.634 46.374 -4.740 19033 1233 1 5 . 1 1 23 23 LEU H H 23 8.681 8.681 8.909 -0.228 19033 1234 1 5 . 1 1 24 24 LYS N N 24 119.660 119.660 122.099 -2.439 19033 1235 1 5 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.929 -0.607 19033 1236 1 5 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.281 -1.853 19033 1237 1 5 . 1 1 24 24 LYS CB C 24 29.987 29.987 31.893 -1.906 19033 1238 1 5 . 1 1 24 24 LYS H H 24 8.076 8.076 8.601 -0.525 19033 1239 1 5 . 1 1 25 25 GLY N N 25 115.402 115.402 115.503 -0.101 19033 1240 1 5 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.725 -2.412 19033 1241 1 5 . 1 1 25 25 GLY H H 25 8.569 8.569 8.828 -0.259 19033 1242 1 5 . 1 1 26 26 ASP N N 26 122.287 122.287 121.314 0.973 19033 1243 1 5 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.602 -0.295 19033 1244 1 5 . 1 1 26 26 ASP CA C 26 53.273 53.273 55.245 -1.972 19033 1245 1 5 . 1 1 26 26 ASP CB C 26 37.932 37.932 41.491 -3.559 19033 1246 1 5 . 1 1 26 26 ASP H H 26 7.847 7.847 7.960 -0.113 19033 1247 1 5 . 1 1 27 27 MET N N 27 119.570 119.570 119.165 0.405 19033 1248 1 5 . 1 1 27 27 MET HA H 27 5.070 5.070 4.613 0.457 19033 1249 1 5 . 1 1 27 27 MET CA C 27 50.485 50.485 54.859 -4.374 19033 1250 1 5 . 1 1 27 27 MET CB C 27 32.786 32.786 35.589 -2.803 19033 1251 1 5 . 1 1 27 27 MET H H 27 8.117 8.117 8.490 -0.373 19033 1252 1 5 . 1 1 28 28 PHE N N 28 116.911 116.911 122.100 -5.189 19033 1253 1 5 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.550 0.109 19033 1254 1 5 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.535 -3.298 19033 1255 1 5 . 1 1 28 28 PHE CB C 28 39.127 39.127 42.732 -3.605 19033 1256 1 5 . 1 1 28 28 PHE H H 28 8.909 8.909 8.824 0.085 19033 1257 1 5 . 1 1 29 29 ILE N N 29 118.126 118.126 115.952 2.174 19033 1258 1 5 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.621 -0.067 19033 1259 1 5 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.528 -2.979 19033 1260 1 5 . 1 1 29 29 ILE CB C 29 37.618 37.618 41.378 -3.760 19033 1261 1 5 . 1 1 29 29 ILE H H 29 8.060 8.060 8.375 -0.315 19033 1262 1 5 . 1 1 30 30 VAL N N 30 125.411 125.411 123.574 1.837 19033 1263 1 5 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.985 -0.121 19033 1264 1 5 . 1 1 30 30 VAL CA C 30 59.874 59.874 62.912 -3.038 19033 1265 1 5 . 1 1 30 30 VAL CB C 30 29.863 29.863 33.036 -3.174 19033 1266 1 5 . 1 1 30 30 VAL H H 30 8.331 8.331 8.016 0.315 19033 1267 1 5 . 1 1 31 31 HIS N N 31 127.208 127.208 126.018 1.190 19033 1268 1 5 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.903 -0.205 19033 1269 1 5 . 1 1 31 31 HIS CA C 31 54.672 54.672 56.261 -1.589 19033 1270 1 5 . 1 1 31 31 HIS CB C 31 28.040 28.040 33.764 -5.724 19033 1271 1 5 . 1 1 31 31 HIS H H 31 9.289 9.289 9.203 0.086 19033 1272 1 5 . 1 1 32 32 ASN N N 32 112.446 112.446 118.003 -5.557 19033 1273 1 5 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.985 -0.035 19033 1274 1 5 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.699 -2.026 19033 1275 1 5 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.288 -1.998 19033 1276 1 5 . 1 1 32 32 ASN H H 32 7.866 7.866 8.046 -0.180 19033 1277 1 5 . 1 1 33 33 GLU N N 33 123.553 123.553 121.781 1.772 19033 1278 1 5 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.671 -0.266 19033 1279 1 5 . 1 1 33 33 GLU CA C 33 54.104 54.104 56.006 -1.902 19033 1280 1 5 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.197 -3.519 19033 1281 1 5 . 1 1 33 33 GLU H H 33 8.723 8.723 8.731 -0.008 19033 1282 1 5 . 1 1 34 34 LEU N N 34 125.739 125.739 125.948 -0.209 19033 1283 1 5 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.631 0.019 19033 1284 1 5 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.826 -2.482 19033 1285 1 5 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.530 -3.717 19033 1286 1 5 . 1 1 34 34 LEU H H 34 8.488 8.488 8.237 0.251 19033 1287 1 5 . 1 1 35 35 GLU N N 35 117.915 117.915 119.131 -1.216 19033 1288 1 5 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.559 -0.270 19033 1289 1 5 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.414 -1.982 19033 1290 1 5 . 1 1 35 35 GLU CB C 35 27.756 27.756 30.295 -2.539 19033 1291 1 5 . 1 1 35 35 GLU H H 35 8.174 8.174 8.452 -0.278 19033 1292 1 5 . 1 1 36 36 ASP N N 36 116.640 116.640 120.373 -3.733 19033 1293 1 5 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.830 -0.467 19033 1294 1 5 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.040 -1.648 19033 1295 1 5 . 1 1 36 36 ASP CB C 36 37.268 37.268 40.508 -3.240 19033 1296 1 5 . 1 1 36 36 ASP H H 36 8.755 8.755 8.204 0.551 19033 1297 1 5 . 1 1 37 37 GLY N N 37 104.775 104.775 106.499 -1.724 19033 1298 1 5 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.221 -2.155 19033 1299 1 5 . 1 1 37 37 GLY H H 37 8.235 8.235 8.277 -0.042 19033 1300 1 5 . 1 1 38 38 TRP N N 38 119.789 119.789 119.709 0.080 19033 1301 1 5 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.375 -0.423 19033 1302 1 5 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.697 -1.008 19033 1303 1 5 . 1 1 38 38 TRP CB C 38 28.348 28.348 31.810 -3.462 19033 1304 1 5 . 1 1 38 38 TRP H H 38 7.331 7.331 7.748 -0.417 19033 1305 1 5 . 1 1 39 39 MET N N 39 118.460 118.460 117.119 1.341 19033 1306 1 5 . 1 1 39 39 MET HA H 39 4.941 4.941 4.991 -0.050 19033 1307 1 5 . 1 1 39 39 MET CA C 39 52.194 52.194 54.819 -2.625 19033 1308 1 5 . 1 1 39 39 MET CB C 39 35.101 35.101 37.438 -2.337 19033 1309 1 5 . 1 1 39 39 MET H H 39 9.330 9.330 8.707 0.623 19033 1310 1 5 . 1 1 40 40 TRP N N 40 123.201 123.201 124.379 -1.178 19033 1311 1 5 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.158 -0.090 19033 1312 1 5 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.209 -3.889 19033 1313 1 5 . 1 1 40 40 TRP CB C 40 27.857 27.857 31.764 -3.907 19033 1314 1 5 . 1 1 40 40 TRP H H 40 8.777 8.777 8.278 0.499 19033 1315 1 5 . 1 1 41 41 VAL N N 41 120.754 120.754 117.699 3.055 19033 1316 1 5 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.346 0.102 19033 1317 1 5 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.504 -2.793 19033 1318 1 5 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.080 -0.652 19033 1319 1 5 . 1 1 41 41 VAL H H 41 8.755 8.755 8.106 0.649 19033 1320 1 5 . 1 1 42 42 THR N N 42 112.967 112.967 115.177 -2.210 19033 1321 1 5 . 1 1 42 42 THR HA H 42 4.999 4.999 4.815 0.184 19033 1322 1 5 . 1 1 42 42 THR CA C 42 59.763 59.763 61.860 -2.097 19033 1323 1 5 . 1 1 42 42 THR CB C 42 68.696 68.696 71.145 -2.449 19033 1324 1 5 . 1 1 42 42 THR H H 42 8.142 8.142 8.152 -0.010 19033 1325 1 5 . 1 1 43 43 ASN N N 43 124.680 124.680 125.369 -0.689 19033 1326 1 5 . 1 1 43 43 ASN HA H 43 4.409 4.409 4.716 -0.307 19033 1327 1 5 . 1 1 43 43 ASN CA C 43 50.340 50.340 52.142 -1.802 19033 1328 1 5 . 1 1 43 43 ASN CB C 43 36.786 36.786 38.531 -1.745 19033 1329 1 5 . 1 1 43 43 ASN H H 43 8.848 8.848 9.022 -0.174 19033 1330 1 5 . 1 1 44 44 LEU N N 44 126.753 126.753 126.746 0.007 19033 1331 1 5 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.082 -0.033 19033 1332 1 5 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.897 -2.642 19033 1333 1 5 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.395 -2.748 19033 1334 1 5 . 1 1 44 44 LEU H H 44 8.841 8.841 7.878 0.963 19033 1335 1 5 . 1 1 45 45 ARG N N 45 119.154 119.154 118.118 1.036 19033 1336 1 5 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.076 0.079 19033 1337 1 5 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.328 -2.009 19033 1338 1 5 . 1 1 45 45 ARG CB C 45 27.552 27.552 30.673 -3.121 19033 1339 1 5 . 1 1 45 45 ARG H H 45 8.452 8.452 7.884 0.568 19033 1340 1 5 . 1 1 46 46 THR N N 46 105.128 105.128 110.568 -5.440 19033 1341 1 5 . 1 1 46 46 THR HA H 46 4.180 4.180 4.373 -0.193 19033 1342 1 5 . 1 1 46 46 THR CA C 46 58.368 58.368 62.187 -3.819 19033 1343 1 5 . 1 1 46 46 THR CB C 46 67.991 67.991 69.725 -1.734 19033 1344 1 5 . 1 1 46 46 THR H H 46 6.842 6.842 7.879 -1.037 19033 1345 1 5 . 1 1 47 47 ASP N N 47 120.147 120.147 120.788 -0.641 19033 1346 1 5 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.339 -0.066 19033 1347 1 5 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.886 -2.293 19033 1348 1 5 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.755 -3.006 19033 1349 1 5 . 1 1 47 47 ASP H H 47 8.650 8.650 8.237 0.413 19033 1350 1 5 . 1 1 48 48 GLU N N 48 117.574 117.574 119.565 -1.991 19033 1351 1 5 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.198 0.096 19033 1352 1 5 . 1 1 48 48 GLU CA C 48 53.743 53.743 56.730 -2.987 19033 1353 1 5 . 1 1 48 48 GLU CB C 48 29.503 29.503 29.591 -0.088 19033 1354 1 5 . 1 1 48 48 GLU H H 48 7.454 7.454 7.836 -0.382 19033 1355 1 5 . 1 1 49 49 GLN N N 49 119.154 119.154 123.766 -4.612 19033 1356 1 5 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.565 1.084 19033 1357 1 5 . 1 1 49 49 GLN CA C 49 50.614 50.614 55.291 -4.677 19033 1358 1 5 . 1 1 49 49 GLN CB C 49 29.447 29.447 31.191 -1.744 19033 1359 1 5 . 1 1 49 49 GLN H H 49 8.314 8.314 8.161 0.153 19033 1360 1 5 . 1 1 50 50 GLY N N 50 108.506 108.506 106.001 2.505 19033 1361 1 5 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.077 -1.822 19033 1362 1 5 . 1 1 50 50 GLY H H 50 7.795 7.795 7.057 0.738 19033 1363 1 5 . 1 1 51 51 LEU N N 51 119.484 119.484 120.448 -0.964 19033 1364 1 5 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.227 0.151 19033 1365 1 5 . 1 1 51 51 LEU CA C 51 51.274 51.274 53.832 -2.558 19033 1366 1 5 . 1 1 51 51 LEU CB C 51 43.574 43.574 43.938 -0.364 19033 1367 1 5 . 1 1 51 51 LEU H H 51 7.748 7.748 7.897 -0.149 19033 1368 1 5 . 1 1 52 52 ILE N N 52 114.127 114.127 116.069 -1.942 19033 1369 1 5 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.736 -0.091 19033 1370 1 5 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.617 -2.277 19033 1371 1 5 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.133 -1.226 19033 1372 1 5 . 1 1 52 52 ILE H H 52 8.802 8.802 8.353 0.449 19033 1373 1 5 . 1 1 53 53 VAL N N 53 120.370 120.370 122.664 -2.294 19033 1374 1 5 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.745 0.273 19033 1375 1 5 . 1 1 53 53 VAL CA C 53 56.467 56.467 60.376 -3.909 19033 1376 1 5 . 1 1 53 53 VAL CB C 53 30.327 30.327 32.874 -2.547 19033 1377 1 5 . 1 1 53 53 VAL H H 53 7.495 7.495 8.186 -0.691 19033 1378 1 5 . 1 1 54 54 GLU N N 54 122.759 122.759 128.015 -5.256 19033 1379 1 5 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.848 -0.258 19033 1380 1 5 . 1 1 54 54 GLU CA C 54 55.564 55.564 59.283 -3.719 19033 1381 1 5 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.177 -2.751 19033 1382 1 5 . 1 1 54 54 GLU H H 54 8.104 8.104 8.495 -0.391 19033 1383 1 5 . 1 1 55 55 ASP N N 55 114.708 114.708 118.892 -4.184 19033 1384 1 5 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.407 -0.203 19033 1385 1 5 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.380 -3.094 19033 1386 1 5 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.662 -2.547 19033 1387 1 5 . 1 1 55 55 ASP H H 55 7.394 7.394 8.329 -0.935 19033 1388 1 5 . 1 1 56 56 LEU N N 56 116.100 116.100 117.827 -1.727 19033 1389 1 5 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.753 -0.355 19033 1390 1 5 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.289 -2.390 19033 1391 1 5 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.293 -3.729 19033 1392 1 5 . 1 1 56 56 LEU H H 56 7.121 7.121 7.376 -0.255 19033 1393 1 5 . 1 1 57 57 VAL N N 57 109.850 109.850 115.486 -5.636 19033 1394 1 5 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.073 0.308 19033 1395 1 5 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.505 -2.945 19033 1396 1 5 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.099 -1.355 19033 1397 1 5 . 1 1 57 57 VAL H H 57 7.438 7.438 7.592 -0.154 19033 1398 1 5 . 1 1 58 58 GLU N N 58 116.558 116.558 118.693 -2.135 19033 1399 1 5 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.622 0.213 19033 1400 1 5 . 1 1 58 58 GLU CA C 58 50.156 50.156 53.844 -3.688 19033 1401 1 5 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.409 -2.055 19033 1402 1 5 . 1 1 58 58 GLU H H 58 8.886 8.886 8.908 -0.022 19033 1403 1 5 . 1 1 59 59 GLU N N 59 121.900 121.900 122.570 -0.670 19033 1404 1 5 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.163 0.066 19033 1405 1 5 . 1 1 59 59 GLU CA C 59 54.417 54.417 56.628 -2.211 19033 1406 1 5 . 1 1 59 59 GLU CB C 59 27.517 27.517 28.261 -0.744 19033 1407 1 5 . 1 1 59 59 GLU H H 59 8.659 8.659 8.806 -0.147 19033 1408 1 5 . 1 1 60 60 VAL N N 60 122.505 122.505 120.848 1.657 19033 1409 1 5 . 1 1 60 60 VAL HA H 60 4.087 4.087 3.875 0.212 19033 1410 1 5 . 1 1 60 60 VAL CA C 60 59.466 59.466 62.802 -3.336 19033 1411 1 5 . 1 1 60 60 VAL CB C 60 30.306 30.306 32.692 -2.386 19033 1412 1 5 . 1 1 60 60 VAL H H 60 8.069 8.069 8.234 -0.165 19033 1413 1 5 . 1 1 61 61 GLY N N 61 112.799 112.799 113.836 -1.037 19033 1414 1 5 . 1 1 61 61 GLY CA C 61 42.709 42.709 44.822 -2.113 19033 1415 1 5 . 1 1 61 61 GLY H H 61 8.383 8.383 8.562 -0.179 19033 1416 1 6 . 1 1 3 3 ARG N N 3 123.172 123.172 119.422 3.750 19033 1417 1 6 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.861 -0.563 19033 1418 1 6 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.684 -0.507 19033 1419 1 6 . 1 1 3 3 ARG CB C 3 29.313 29.313 32.128 -2.815 19033 1420 1 6 . 1 1 3 3 ARG H H 3 8.600 8.600 8.483 0.117 19033 1421 1 6 . 1 1 4 4 ARG N N 4 122.811 122.811 118.413 4.398 19033 1422 1 6 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.606 0.839 19033 1423 1 6 . 1 1 4 4 ARG CA C 4 51.948 51.948 55.605 -3.657 19033 1424 1 6 . 1 1 4 4 ARG CB C 4 30.814 30.814 34.266 -3.452 19033 1425 1 6 . 1 1 4 4 ARG H H 4 8.458 8.458 8.527 -0.069 19033 1426 1 6 . 1 1 5 5 VAL N N 5 112.133 112.133 114.613 -2.480 19033 1427 1 6 . 1 1 5 5 VAL HA H 5 5.084 5.084 4.982 0.102 19033 1428 1 6 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.413 -3.519 19033 1429 1 6 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.724 -2.110 19033 1430 1 6 . 1 1 5 5 VAL H H 5 8.173 8.173 8.590 -0.417 19033 1431 1 6 . 1 1 6 6 ARG N N 6 120.981 120.981 120.885 0.096 19033 1432 1 6 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.899 0.716 19033 1433 1 6 . 1 1 6 6 ARG CA C 6 50.883 50.883 54.401 -3.518 19033 1434 1 6 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.550 -1.886 19033 1435 1 6 . 1 1 6 6 ARG H H 6 9.102 9.102 8.427 0.675 19033 1436 1 6 . 1 1 7 7 ALA N N 7 127.309 127.309 129.617 -2.308 19033 1437 1 6 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.846 -0.021 19033 1438 1 6 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.574 -1.564 19033 1439 1 6 . 1 1 7 7 ALA CB C 7 18.560 18.560 19.606 -1.046 19033 1440 1 6 . 1 1 7 7 ALA H H 7 9.300 9.300 8.750 0.550 19033 1441 1 6 . 1 1 8 8 ILE N N 8 119.944 119.944 120.710 -0.766 19033 1442 1 6 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.302 -0.009 19033 1443 1 6 . 1 1 8 8 ILE CA C 8 59.073 59.073 61.340 -2.267 19033 1444 1 6 . 1 1 8 8 ILE CB C 8 36.125 36.125 37.483 -1.358 19033 1445 1 6 . 1 1 8 8 ILE H H 8 9.095 9.095 8.383 0.712 19033 1446 1 6 . 1 1 9 9 LEU N N 9 123.267 123.267 116.977 6.290 19033 1447 1 6 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.905 -0.356 19033 1448 1 6 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.834 -2.897 19033 1449 1 6 . 1 1 9 9 LEU CB C 9 44.882 44.882 43.450 1.431 19033 1450 1 6 . 1 1 9 9 LEU H H 9 7.738 7.738 7.604 0.134 19033 1451 1 6 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.733 -0.199 19033 1452 1 6 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.516 -3.370 19033 1453 1 6 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.742 -2.377 19033 1454 1 6 . 1 1 11 11 TYR N N 11 117.178 117.178 120.459 -3.281 19033 1455 1 6 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.552 -0.482 19033 1456 1 6 . 1 1 11 11 TYR CA C 11 56.303 56.303 56.745 -0.442 19033 1457 1 6 . 1 1 11 11 TYR CB C 11 39.864 39.864 41.378 -1.514 19033 1458 1 6 . 1 1 11 11 TYR H H 11 7.754 7.754 8.746 -0.992 19033 1459 1 6 . 1 1 12 12 THR N N 12 125.004 125.004 120.094 4.910 19033 1460 1 6 . 1 1 12 12 THR HA H 12 4.224 4.224 4.106 0.118 19033 1461 1 6 . 1 1 12 12 THR CA C 12 57.833 57.833 61.111 -3.278 19033 1462 1 6 . 1 1 12 12 THR CB C 12 66.962 66.962 69.277 -2.315 19033 1463 1 6 . 1 1 12 12 THR H H 12 7.149 7.149 7.758 -0.609 19033 1464 1 6 . 1 1 13 13 LYS N N 13 123.175 123.175 125.661 -2.486 19033 1465 1 6 . 1 1 13 13 LYS HA H 13 4.148 4.148 3.853 0.295 19033 1466 1 6 . 1 1 13 13 LYS CA C 13 52.749 52.749 55.612 -2.863 19033 1467 1 6 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.424 -3.074 19033 1468 1 6 . 1 1 13 13 LYS H H 13 8.121 8.121 8.088 0.033 19033 1469 1 6 . 1 1 14 14 VAL N N 14 126.091 126.091 120.919 5.172 19033 1470 1 6 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.367 -0.319 19033 1471 1 6 . 1 1 14 14 VAL CA C 14 58.059 58.059 59.572 -1.513 19033 1472 1 6 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.758 -2.364 19033 1473 1 6 . 1 1 14 14 VAL H H 14 8.061 8.061 8.785 -0.724 19033 1474 1 6 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.461 -0.341 19033 1475 1 6 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.618 -2.568 19033 1476 1 6 . 1 1 15 15 PRO CB C 15 29.695 29.695 31.989 -2.294 19033 1477 1 6 . 1 1 16 16 ASP N N 16 115.188 115.188 119.838 -4.650 19033 1478 1 6 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.406 -0.119 19033 1479 1 6 . 1 1 16 16 ASP CA C 16 53.189 53.189 54.912 -1.723 19033 1480 1 6 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.440 -4.129 19033 1481 1 6 . 1 1 16 16 ASP H H 16 8.808 8.808 8.852 -0.044 19033 1482 1 6 . 1 1 17 17 THR N N 17 106.185 106.185 110.204 -4.019 19033 1483 1 6 . 1 1 17 17 THR HA H 17 4.704 4.704 4.620 0.084 19033 1484 1 6 . 1 1 17 17 THR CA C 17 58.069 58.069 60.399 -2.330 19033 1485 1 6 . 1 1 17 17 THR CB C 17 70.764 70.764 70.679 0.085 19033 1486 1 6 . 1 1 17 17 THR H H 17 7.264 7.264 7.644 -0.380 19033 1487 1 6 . 1 1 18 18 ASP N N 18 117.426 117.426 120.372 -2.946 19033 1488 1 6 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.651 0.312 19033 1489 1 6 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.844 -2.924 19033 1490 1 6 . 1 1 18 18 ASP CB C 18 38.059 38.059 39.769 -1.710 19033 1491 1 6 . 1 1 18 18 ASP H H 18 8.855 8.855 8.826 0.029 19033 1492 1 6 . 1 1 19 19 GLU N N 19 119.666 119.666 117.837 1.829 19033 1493 1 6 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.535 0.159 19033 1494 1 6 . 1 1 19 19 GLU CA C 19 54.515 54.515 55.182 -0.667 19033 1495 1 6 . 1 1 19 19 GLU CB C 19 29.535 29.535 33.159 -3.624 19033 1496 1 6 . 1 1 19 19 GLU H H 19 7.603 7.603 7.539 0.064 19033 1497 1 6 . 1 1 20 20 ILE N N 20 109.127 109.127 116.016 -6.889 19033 1498 1 6 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.635 0.218 19033 1499 1 6 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.808 -3.551 19033 1500 1 6 . 1 1 20 20 ILE CB C 20 38.401 38.401 41.570 -3.169 19033 1501 1 6 . 1 1 20 20 ILE H H 20 6.909 6.909 7.898 -0.989 19033 1502 1 6 . 1 1 21 21 SER N N 21 117.834 117.834 117.400 0.434 19033 1503 1 6 . 1 1 21 21 SER HA H 21 4.796 4.796 4.815 -0.019 19033 1504 1 6 . 1 1 21 21 SER CA C 21 54.907 54.907 57.614 -2.708 19033 1505 1 6 . 1 1 21 21 SER CB C 21 61.426 61.426 65.093 -3.667 19033 1506 1 6 . 1 1 21 21 SER H H 21 8.738 8.738 8.121 0.617 19033 1507 1 6 . 1 1 22 22 PHE N N 22 116.177 116.177 113.219 2.958 19033 1508 1 6 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.023 -0.358 19033 1509 1 6 . 1 1 22 22 PHE CA C 22 53.807 53.807 57.101 -3.294 19033 1510 1 6 . 1 1 22 22 PHE CB C 22 38.324 38.324 40.678 -2.354 19033 1511 1 6 . 1 1 22 22 PHE H H 22 8.860 8.860 7.823 1.037 19033 1512 1 6 . 1 1 23 23 LEU N N 23 121.283 121.283 120.666 0.617 19033 1513 1 6 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.829 -0.218 19033 1514 1 6 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.093 -3.140 19033 1515 1 6 . 1 1 23 23 LEU CB C 23 41.634 41.634 45.314 -3.680 19033 1516 1 6 . 1 1 23 23 LEU H H 23 8.681 8.681 9.679 -0.998 19033 1517 1 6 . 1 1 24 24 LYS N N 24 119.660 119.660 120.051 -0.391 19033 1518 1 6 . 1 1 24 24 LYS HA H 24 3.322 3.322 4.012 -0.690 19033 1519 1 6 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.413 -1.985 19033 1520 1 6 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.321 -2.334 19033 1521 1 6 . 1 1 24 24 LYS H H 24 8.076 8.076 8.626 -0.550 19033 1522 1 6 . 1 1 25 25 GLY N N 25 115.402 115.402 114.671 0.731 19033 1523 1 6 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.712 -2.399 19033 1524 1 6 . 1 1 25 25 GLY H H 25 8.569 8.569 8.666 -0.097 19033 1525 1 6 . 1 1 26 26 ASP N N 26 122.287 122.287 120.679 1.608 19033 1526 1 6 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.491 -0.184 19033 1527 1 6 . 1 1 26 26 ASP CA C 26 53.273 53.273 55.011 -1.738 19033 1528 1 6 . 1 1 26 26 ASP CB C 26 37.932 37.932 42.062 -4.130 19033 1529 1 6 . 1 1 26 26 ASP H H 26 7.847 7.847 7.835 0.012 19033 1530 1 6 . 1 1 27 27 MET N N 27 119.570 119.570 117.720 1.850 19033 1531 1 6 . 1 1 27 27 MET HA H 27 5.070 5.070 4.569 0.501 19033 1532 1 6 . 1 1 27 27 MET CA C 27 50.485 50.485 54.464 -3.979 19033 1533 1 6 . 1 1 27 27 MET CB C 27 32.786 32.786 35.949 -3.163 19033 1534 1 6 . 1 1 27 27 MET H H 27 8.117 8.117 7.783 0.334 19033 1535 1 6 . 1 1 28 28 PHE N N 28 116.911 116.911 119.233 -2.322 19033 1536 1 6 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.618 0.041 19033 1537 1 6 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.617 -3.380 19033 1538 1 6 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.294 -4.167 19033 1539 1 6 . 1 1 28 28 PHE H H 28 8.909 8.909 9.061 -0.152 19033 1540 1 6 . 1 1 29 29 ILE N N 29 118.126 118.126 115.963 2.163 19033 1541 1 6 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.638 -0.084 19033 1542 1 6 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.492 -2.944 19033 1543 1 6 . 1 1 29 29 ILE CB C 29 37.618 37.618 41.565 -3.947 19033 1544 1 6 . 1 1 29 29 ILE H H 29 8.060 8.060 8.544 -0.484 19033 1545 1 6 . 1 1 30 30 VAL N N 30 125.411 125.411 124.357 1.054 19033 1546 1 6 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.987 -0.123 19033 1547 1 6 . 1 1 30 30 VAL CA C 30 59.874 59.874 62.013 -2.139 19033 1548 1 6 . 1 1 30 30 VAL CB C 30 29.863 29.863 32.781 -2.917 19033 1549 1 6 . 1 1 30 30 VAL H H 30 8.331 8.331 8.101 0.230 19033 1550 1 6 . 1 1 31 31 HIS N N 31 127.208 127.208 127.428 -0.220 19033 1551 1 6 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.933 -0.235 19033 1552 1 6 . 1 1 31 31 HIS CA C 31 54.672 54.672 56.219 -1.547 19033 1553 1 6 . 1 1 31 31 HIS CB C 31 28.040 28.040 32.758 -4.718 19033 1554 1 6 . 1 1 31 31 HIS H H 31 9.289 9.289 9.084 0.205 19033 1555 1 6 . 1 1 32 32 ASN N N 32 112.446 112.446 117.871 -5.425 19033 1556 1 6 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.949 0.001 19033 1557 1 6 . 1 1 32 32 ASN CA C 32 50.672 50.672 53.024 -2.352 19033 1558 1 6 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.485 -2.195 19033 1559 1 6 . 1 1 32 32 ASN H H 32 7.866 7.866 8.076 -0.210 19033 1560 1 6 . 1 1 33 33 GLU N N 33 123.553 123.553 120.591 2.962 19033 1561 1 6 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.689 -0.284 19033 1562 1 6 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.928 -1.824 19033 1563 1 6 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.484 -3.806 19033 1564 1 6 . 1 1 33 33 GLU H H 33 8.723 8.723 8.626 0.097 19033 1565 1 6 . 1 1 34 34 LEU N N 34 125.739 125.739 124.234 1.505 19033 1566 1 6 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.794 -0.144 19033 1567 1 6 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.757 -2.413 19033 1568 1 6 . 1 1 34 34 LEU CB C 34 39.813 39.813 44.656 -4.843 19033 1569 1 6 . 1 1 34 34 LEU H H 34 8.488 8.488 8.913 -0.425 19033 1570 1 6 . 1 1 35 35 GLU N N 35 117.915 117.915 123.218 -5.303 19033 1571 1 6 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.341 -0.052 19033 1572 1 6 . 1 1 35 35 GLU CA C 35 54.432 54.432 57.326 -2.894 19033 1573 1 6 . 1 1 35 35 GLU CB C 35 27.756 27.756 29.070 -1.314 19033 1574 1 6 . 1 1 35 35 GLU H H 35 8.174 8.174 8.864 -0.690 19033 1575 1 6 . 1 1 36 36 ASP N N 36 116.640 116.640 119.255 -2.615 19033 1576 1 6 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.751 -0.388 19033 1577 1 6 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.459 -2.067 19033 1578 1 6 . 1 1 36 36 ASP CB C 36 37.268 37.268 41.400 -4.132 19033 1579 1 6 . 1 1 36 36 ASP H H 36 8.755 8.755 7.894 0.861 19033 1580 1 6 . 1 1 37 37 GLY N N 37 104.775 104.775 106.618 -1.843 19033 1581 1 6 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.482 -2.416 19033 1582 1 6 . 1 1 37 37 GLY H H 37 8.235 8.235 8.195 0.040 19033 1583 1 6 . 1 1 38 38 TRP N N 38 119.789 119.789 120.801 -1.012 19033 1584 1 6 . 1 1 38 38 TRP HA H 38 4.952 4.952 4.986 -0.034 19033 1585 1 6 . 1 1 38 38 TRP CA C 38 54.689 54.689 56.934 -2.245 19033 1586 1 6 . 1 1 38 38 TRP CB C 38 28.348 28.348 30.883 -2.535 19033 1587 1 6 . 1 1 38 38 TRP H H 38 7.331 7.331 7.453 -0.122 19033 1588 1 6 . 1 1 39 39 MET N N 39 118.460 118.460 118.052 0.408 19033 1589 1 6 . 1 1 39 39 MET HA H 39 4.941 4.941 5.053 -0.112 19033 1590 1 6 . 1 1 39 39 MET CA C 39 52.194 52.194 54.795 -2.601 19033 1591 1 6 . 1 1 39 39 MET CB C 39 35.101 35.101 37.124 -2.023 19033 1592 1 6 . 1 1 39 39 MET H H 39 9.330 9.330 9.408 -0.078 19033 1593 1 6 . 1 1 40 40 TRP N N 40 123.201 123.201 125.770 -2.569 19033 1594 1 6 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.040 0.028 19033 1595 1 6 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.503 -4.182 19033 1596 1 6 . 1 1 40 40 TRP CB C 40 27.857 27.857 31.592 -3.735 19033 1597 1 6 . 1 1 40 40 TRP H H 40 8.777 8.777 8.596 0.181 19033 1598 1 6 . 1 1 41 41 VAL N N 41 120.754 120.754 118.209 2.545 19033 1599 1 6 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.349 0.098 19033 1600 1 6 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.347 -2.636 19033 1601 1 6 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.121 -0.693 19033 1602 1 6 . 1 1 41 41 VAL H H 41 8.755 8.755 8.021 0.734 19033 1603 1 6 . 1 1 42 42 THR N N 42 112.967 112.967 116.004 -3.037 19033 1604 1 6 . 1 1 42 42 THR HA H 42 4.999 4.999 4.852 0.147 19033 1605 1 6 . 1 1 42 42 THR CA C 42 59.763 59.763 61.660 -1.897 19033 1606 1 6 . 1 1 42 42 THR CB C 42 68.696 68.696 70.849 -2.152 19033 1607 1 6 . 1 1 42 42 THR H H 42 8.142 8.142 8.099 0.043 19033 1608 1 6 . 1 1 43 43 ASN N N 43 124.680 124.680 125.385 -0.705 19033 1609 1 6 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.003 -0.594 19033 1610 1 6 . 1 1 43 43 ASN CA C 43 50.340 50.340 53.096 -2.756 19033 1611 1 6 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.456 -2.670 19033 1612 1 6 . 1 1 43 43 ASN H H 43 8.848 8.848 9.066 -0.218 19033 1613 1 6 . 1 1 44 44 LEU N N 44 126.753 126.753 125.724 1.029 19033 1614 1 6 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.535 -0.486 19033 1615 1 6 . 1 1 44 44 LEU CA C 44 54.255 54.255 55.281 -1.026 19033 1616 1 6 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.175 -2.529 19033 1617 1 6 . 1 1 44 44 LEU H H 44 8.841 8.841 8.188 0.653 19033 1618 1 6 . 1 1 45 45 ARG N N 45 119.154 119.154 120.082 -0.928 19033 1619 1 6 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.187 -0.032 19033 1620 1 6 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.170 -1.851 19033 1621 1 6 . 1 1 45 45 ARG CB C 45 27.552 27.552 31.043 -3.490 19033 1622 1 6 . 1 1 45 45 ARG H H 45 8.452 8.452 8.320 0.132 19033 1623 1 6 . 1 1 46 46 THR N N 46 105.128 105.128 110.516 -5.388 19033 1624 1 6 . 1 1 46 46 THR HA H 46 4.180 4.180 4.373 -0.193 19033 1625 1 6 . 1 1 46 46 THR CA C 46 58.368 58.368 62.829 -4.461 19033 1626 1 6 . 1 1 46 46 THR CB C 46 67.991 67.991 69.879 -1.889 19033 1627 1 6 . 1 1 46 46 THR H H 46 6.842 6.842 7.659 -0.817 19033 1628 1 6 . 1 1 47 47 ASP N N 47 120.147 120.147 120.555 -0.408 19033 1629 1 6 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.285 -0.012 19033 1630 1 6 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.650 -2.057 19033 1631 1 6 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.375 -2.627 19033 1632 1 6 . 1 1 47 47 ASP H H 47 8.650 8.650 8.117 0.533 19033 1633 1 6 . 1 1 48 48 GLU N N 48 117.574 117.574 118.973 -1.399 19033 1634 1 6 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.171 0.123 19033 1635 1 6 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.362 -3.619 19033 1636 1 6 . 1 1 48 48 GLU CB C 48 29.503 29.503 29.773 -0.270 19033 1637 1 6 . 1 1 48 48 GLU H H 48 7.454 7.454 7.747 -0.293 19033 1638 1 6 . 1 1 49 49 GLN N N 49 119.154 119.154 124.278 -5.124 19033 1639 1 6 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.658 0.991 19033 1640 1 6 . 1 1 49 49 GLN CA C 49 50.614 50.614 55.690 -5.076 19033 1641 1 6 . 1 1 49 49 GLN CB C 49 29.447 29.447 30.282 -0.835 19033 1642 1 6 . 1 1 49 49 GLN H H 49 8.314 8.314 8.249 0.065 19033 1643 1 6 . 1 1 50 50 GLY N N 50 108.506 108.506 106.582 1.924 19033 1644 1 6 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.085 -1.830 19033 1645 1 6 . 1 1 50 50 GLY H H 50 7.795 7.795 7.110 0.685 19033 1646 1 6 . 1 1 51 51 LEU N N 51 119.484 119.484 120.731 -1.247 19033 1647 1 6 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.013 0.365 19033 1648 1 6 . 1 1 51 51 LEU CA C 51 51.274 51.274 54.508 -3.234 19033 1649 1 6 . 1 1 51 51 LEU CB C 51 43.574 43.574 43.201 0.373 19033 1650 1 6 . 1 1 51 51 LEU H H 51 7.748 7.748 7.765 -0.017 19033 1651 1 6 . 1 1 52 52 ILE N N 52 114.127 114.127 118.073 -3.946 19033 1652 1 6 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.820 -0.175 19033 1653 1 6 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.534 -2.194 19033 1654 1 6 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.224 -1.318 19033 1655 1 6 . 1 1 52 52 ILE H H 52 8.802 8.802 8.810 -0.008 19033 1656 1 6 . 1 1 53 53 VAL N N 53 120.370 120.370 121.016 -0.646 19033 1657 1 6 . 1 1 53 53 VAL HA H 53 4.018 4.018 4.387 -0.369 19033 1658 1 6 . 1 1 53 53 VAL CA C 53 56.467 56.467 59.375 -2.908 19033 1659 1 6 . 1 1 53 53 VAL CB C 53 30.327 30.327 34.237 -3.910 19033 1660 1 6 . 1 1 53 53 VAL H H 53 7.495 7.495 8.029 -0.534 19033 1661 1 6 . 1 1 54 54 GLU N N 54 122.759 122.759 126.786 -4.027 19033 1662 1 6 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.945 -0.355 19033 1663 1 6 . 1 1 54 54 GLU CA C 54 55.564 55.564 59.174 -3.610 19033 1664 1 6 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.228 -2.802 19033 1665 1 6 . 1 1 54 54 GLU H H 54 8.104 8.104 8.841 -0.737 19033 1666 1 6 . 1 1 55 55 ASP N N 55 114.708 114.708 119.529 -4.821 19033 1667 1 6 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.398 -0.194 19033 1668 1 6 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.712 -3.426 19033 1669 1 6 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.595 -2.480 19033 1670 1 6 . 1 1 55 55 ASP H H 55 7.394 7.394 8.363 -0.969 19033 1671 1 6 . 1 1 56 56 LEU N N 56 116.100 116.100 116.651 -0.551 19033 1672 1 6 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.636 -0.238 19033 1673 1 6 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.374 -2.475 19033 1674 1 6 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.238 -3.674 19033 1675 1 6 . 1 1 56 56 LEU H H 56 7.121 7.121 7.336 -0.215 19033 1676 1 6 . 1 1 57 57 VAL N N 57 109.850 109.850 114.256 -4.406 19033 1677 1 6 . 1 1 57 57 VAL HA H 57 5.381 5.381 4.957 0.424 19033 1678 1 6 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.847 -3.288 19033 1679 1 6 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.381 -1.637 19033 1680 1 6 . 1 1 57 57 VAL H H 57 7.438 7.438 7.333 0.105 19033 1681 1 6 . 1 1 58 58 GLU N N 58 116.558 116.558 119.394 -2.836 19033 1682 1 6 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.583 0.252 19033 1683 1 6 . 1 1 58 58 GLU CA C 58 50.156 50.156 53.883 -3.727 19033 1684 1 6 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.163 -1.809 19033 1685 1 6 . 1 1 58 58 GLU H H 58 8.886 8.886 8.707 0.179 19033 1686 1 6 . 1 1 59 59 GLU N N 59 121.900 121.900 121.963 -0.063 19033 1687 1 6 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.220 0.009 19033 1688 1 6 . 1 1 59 59 GLU CA C 59 54.417 54.417 56.112 -1.696 19033 1689 1 6 . 1 1 59 59 GLU CB C 59 27.517 27.517 28.541 -1.024 19033 1690 1 6 . 1 1 59 59 GLU H H 59 8.659 8.659 8.850 -0.191 19033 1691 1 6 . 1 1 60 60 VAL N N 60 122.505 122.505 121.307 1.198 19033 1692 1 6 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.023 0.064 19033 1693 1 6 . 1 1 60 60 VAL CA C 60 59.466 59.466 62.458 -2.992 19033 1694 1 6 . 1 1 60 60 VAL CB C 60 30.306 30.306 33.358 -3.052 19033 1695 1 6 . 1 1 60 60 VAL H H 60 8.069 8.069 8.007 0.062 19033 1696 1 6 . 1 1 61 61 GLY N N 61 112.799 112.799 111.269 1.530 19033 1697 1 6 . 1 1 61 61 GLY CA C 61 42.709 42.709 45.034 -2.325 19033 1698 1 6 . 1 1 61 61 GLY H H 61 8.383 8.383 8.424 -0.041 19033 1699 1 7 . 1 1 3 3 ARG N N 3 123.172 123.172 122.300 0.872 19033 1700 1 7 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.511 -0.213 19033 1701 1 7 . 1 1 3 3 ARG CA C 3 54.177 54.177 55.322 -1.145 19033 1702 1 7 . 1 1 3 3 ARG CB C 3 29.313 29.313 30.651 -1.338 19033 1703 1 7 . 1 1 3 3 ARG H H 3 8.600 8.600 8.163 0.437 19033 1704 1 7 . 1 1 4 4 ARG N N 4 122.811 122.811 122.211 0.600 19033 1705 1 7 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.805 0.640 19033 1706 1 7 . 1 1 4 4 ARG CA C 4 51.948 51.948 54.971 -3.022 19033 1707 1 7 . 1 1 4 4 ARG CB C 4 30.814 30.814 34.430 -3.616 19033 1708 1 7 . 1 1 4 4 ARG H H 4 8.458 8.458 8.568 -0.110 19033 1709 1 7 . 1 1 5 5 VAL N N 5 112.133 112.133 113.774 -1.641 19033 1710 1 7 . 1 1 5 5 VAL HA H 5 5.084 5.084 4.996 0.088 19033 1711 1 7 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.794 -3.900 19033 1712 1 7 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.795 -2.181 19033 1713 1 7 . 1 1 5 5 VAL H H 5 8.173 8.173 8.925 -0.752 19033 1714 1 7 . 1 1 6 6 ARG N N 6 120.981 120.981 122.485 -1.504 19033 1715 1 7 . 1 1 6 6 ARG HA H 6 5.615 5.615 5.028 0.587 19033 1716 1 7 . 1 1 6 6 ARG CA C 6 50.883 50.883 53.789 -2.906 19033 1717 1 7 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.205 -1.541 19033 1718 1 7 . 1 1 6 6 ARG H H 6 9.102 9.102 8.398 0.704 19033 1719 1 7 . 1 1 7 7 ALA N N 7 127.309 127.309 128.335 -1.026 19033 1720 1 7 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.919 -0.094 19033 1721 1 7 . 1 1 7 7 ALA CA C 7 50.010 50.010 50.735 -0.725 19033 1722 1 7 . 1 1 7 7 ALA CB C 7 18.560 18.560 21.033 -2.473 19033 1723 1 7 . 1 1 7 7 ALA H H 7 9.300 9.300 8.663 0.637 19033 1724 1 7 . 1 1 8 8 ILE N N 8 119.944 119.944 115.333 4.611 19033 1725 1 7 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.571 -0.278 19033 1726 1 7 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.529 -1.456 19033 1727 1 7 . 1 1 8 8 ILE CB C 8 36.125 36.125 37.868 -1.744 19033 1728 1 7 . 1 1 8 8 ILE H H 8 9.095 9.095 8.769 0.326 19033 1729 1 7 . 1 1 9 9 LEU N N 9 123.267 123.267 121.558 1.709 19033 1730 1 7 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.983 -0.434 19033 1731 1 7 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.180 -2.244 19033 1732 1 7 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.557 -0.675 19033 1733 1 7 . 1 1 9 9 LEU H H 9 7.738 7.738 7.721 0.017 19033 1734 1 7 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.633 -0.099 19033 1735 1 7 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.172 -3.026 19033 1736 1 7 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.716 -2.351 19033 1737 1 7 . 1 1 11 11 TYR N N 11 117.178 117.178 119.149 -1.971 19033 1738 1 7 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.386 -0.316 19033 1739 1 7 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.555 -1.252 19033 1740 1 7 . 1 1 11 11 TYR CB C 11 39.864 39.864 41.189 -1.325 19033 1741 1 7 . 1 1 11 11 TYR H H 11 7.754 7.754 8.741 -0.987 19033 1742 1 7 . 1 1 12 12 THR N N 12 125.004 125.004 121.451 3.553 19033 1743 1 7 . 1 1 12 12 THR HA H 12 4.224 4.224 4.412 -0.188 19033 1744 1 7 . 1 1 12 12 THR CA C 12 57.833 57.833 60.652 -2.819 19033 1745 1 7 . 1 1 12 12 THR CB C 12 66.962 66.962 69.730 -2.768 19033 1746 1 7 . 1 1 12 12 THR H H 12 7.149 7.149 7.874 -0.725 19033 1747 1 7 . 1 1 13 13 LYS N N 13 123.175 123.175 127.540 -4.365 19033 1748 1 7 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.777 -0.629 19033 1749 1 7 . 1 1 13 13 LYS CA C 13 52.749 52.749 54.839 -2.090 19033 1750 1 7 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.292 -2.942 19033 1751 1 7 . 1 1 13 13 LYS H H 13 8.121 8.121 8.082 0.039 19033 1752 1 7 . 1 1 14 14 VAL N N 14 126.091 126.091 124.323 1.768 19033 1753 1 7 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.147 -0.099 19033 1754 1 7 . 1 1 14 14 VAL CA C 14 58.059 58.059 61.113 -3.054 19033 1755 1 7 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.463 -2.069 19033 1756 1 7 . 1 1 14 14 VAL H H 14 8.061 8.061 8.901 -0.840 19033 1757 1 7 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.383 -0.263 19033 1758 1 7 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.382 -2.332 19033 1759 1 7 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.251 -2.556 19033 1760 1 7 . 1 1 16 16 ASP N N 16 115.188 115.188 114.899 0.289 19033 1761 1 7 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.406 -0.119 19033 1762 1 7 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.223 -2.034 19033 1763 1 7 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.019 -3.708 19033 1764 1 7 . 1 1 16 16 ASP H H 16 8.808 8.808 8.939 -0.131 19033 1765 1 7 . 1 1 17 17 THR N N 17 106.185 106.185 110.895 -4.710 19033 1766 1 7 . 1 1 17 17 THR HA H 17 4.704 4.704 4.505 0.199 19033 1767 1 7 . 1 1 17 17 THR CA C 17 58.069 58.069 60.724 -2.655 19033 1768 1 7 . 1 1 17 17 THR CB C 17 70.764 70.764 71.467 -0.703 19033 1769 1 7 . 1 1 17 17 THR H H 17 7.264 7.264 7.408 -0.144 19033 1770 1 7 . 1 1 18 18 ASP N N 18 117.426 117.426 120.269 -2.843 19033 1771 1 7 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.724 0.239 19033 1772 1 7 . 1 1 18 18 ASP CA C 18 51.920 51.920 53.996 -2.076 19033 1773 1 7 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.558 -2.499 19033 1774 1 7 . 1 1 18 18 ASP H H 18 8.855 8.855 8.647 0.208 19033 1775 1 7 . 1 1 19 19 GLU N N 19 119.666 119.666 119.418 0.248 19033 1776 1 7 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.292 0.402 19033 1777 1 7 . 1 1 19 19 GLU CA C 19 54.515 54.515 57.133 -2.618 19033 1778 1 7 . 1 1 19 19 GLU CB C 19 29.535 29.535 30.743 -1.208 19033 1779 1 7 . 1 1 19 19 GLU H H 19 7.603 7.603 7.706 -0.103 19033 1780 1 7 . 1 1 20 20 ILE N N 20 109.127 109.127 117.203 -8.076 19033 1781 1 7 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.596 0.257 19033 1782 1 7 . 1 1 20 20 ILE CA C 20 56.257 56.257 60.087 -3.830 19033 1783 1 7 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.978 -2.577 19033 1784 1 7 . 1 1 20 20 ILE H H 20 6.909 6.909 8.368 -1.459 19033 1785 1 7 . 1 1 21 21 SER N N 21 117.834 117.834 119.987 -2.153 19033 1786 1 7 . 1 1 21 21 SER HA H 21 4.796 4.796 4.777 0.019 19033 1787 1 7 . 1 1 21 21 SER CA C 21 54.907 54.907 59.536 -4.629 19033 1788 1 7 . 1 1 21 21 SER CB C 21 61.426 61.426 64.317 -2.891 19033 1789 1 7 . 1 1 21 21 SER H H 21 8.738 8.738 8.461 0.277 19033 1790 1 7 . 1 1 22 22 PHE N N 22 116.177 116.177 116.694 -0.517 19033 1791 1 7 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.022 -0.357 19033 1792 1 7 . 1 1 22 22 PHE CA C 22 53.807 53.807 56.033 -2.226 19033 1793 1 7 . 1 1 22 22 PHE CB C 22 38.324 38.324 40.641 -2.317 19033 1794 1 7 . 1 1 22 22 PHE H H 22 8.860 8.860 8.743 0.117 19033 1795 1 7 . 1 1 23 23 LEU N N 23 121.283 121.283 119.922 1.361 19033 1796 1 7 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.776 -0.165 19033 1797 1 7 . 1 1 23 23 LEU CA C 23 49.953 49.953 52.981 -3.029 19033 1798 1 7 . 1 1 23 23 LEU CB C 23 41.634 41.634 44.963 -3.329 19033 1799 1 7 . 1 1 23 23 LEU H H 23 8.681 8.681 8.764 -0.083 19033 1800 1 7 . 1 1 24 24 LYS N N 24 119.660 119.660 120.924 -1.264 19033 1801 1 7 . 1 1 24 24 LYS HA H 24 3.322 3.322 4.134 -0.812 19033 1802 1 7 . 1 1 24 24 LYS CA C 24 56.428 56.428 57.617 -1.189 19033 1803 1 7 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.305 -2.318 19033 1804 1 7 . 1 1 24 24 LYS H H 24 8.076 8.076 8.379 -0.303 19033 1805 1 7 . 1 1 25 25 GLY N N 25 115.402 115.402 115.737 -0.335 19033 1806 1 7 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.631 -2.318 19033 1807 1 7 . 1 1 25 25 GLY H H 25 8.569 8.569 8.793 -0.223 19033 1808 1 7 . 1 1 26 26 ASP N N 26 122.287 122.287 119.684 2.603 19033 1809 1 7 . 1 1 26 26 ASP HA H 26 4.307 4.307 5.119 -0.812 19033 1810 1 7 . 1 1 26 26 ASP CA C 26 53.273 53.273 53.330 -0.057 19033 1811 1 7 . 1 1 26 26 ASP CB C 26 37.932 37.932 44.246 -6.314 19033 1812 1 7 . 1 1 26 26 ASP H H 26 7.847 7.847 7.704 0.143 19033 1813 1 7 . 1 1 27 27 MET N N 27 119.570 119.570 117.490 2.080 19033 1814 1 7 . 1 1 27 27 MET HA H 27 5.070 5.070 4.761 0.309 19033 1815 1 7 . 1 1 27 27 MET CA C 27 50.485 50.485 54.642 -4.157 19033 1816 1 7 . 1 1 27 27 MET CB C 27 32.786 32.786 37.331 -4.545 19033 1817 1 7 . 1 1 27 27 MET H H 27 8.117 8.117 8.289 -0.172 19033 1818 1 7 . 1 1 28 28 PHE N N 28 116.911 116.911 117.047 -0.136 19033 1819 1 7 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.490 0.169 19033 1820 1 7 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.802 -3.565 19033 1821 1 7 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.062 -3.934 19033 1822 1 7 . 1 1 28 28 PHE H H 28 8.909 8.909 9.139 -0.230 19033 1823 1 7 . 1 1 29 29 ILE N N 29 118.126 118.126 116.816 1.310 19033 1824 1 7 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.700 -0.146 19033 1825 1 7 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.581 -3.033 19033 1826 1 7 . 1 1 29 29 ILE CB C 29 37.618 37.618 40.402 -2.784 19033 1827 1 7 . 1 1 29 29 ILE H H 29 8.060 8.060 8.681 -0.621 19033 1828 1 7 . 1 1 30 30 VAL N N 30 125.411 125.411 124.795 0.616 19033 1829 1 7 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.870 -0.006 19033 1830 1 7 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.822 -3.948 19033 1831 1 7 . 1 1 30 30 VAL CB C 30 29.863 29.863 31.823 -1.960 19033 1832 1 7 . 1 1 30 30 VAL H H 30 8.331 8.331 8.178 0.153 19033 1833 1 7 . 1 1 31 31 HIS N N 31 127.208 127.208 127.477 -0.269 19033 1834 1 7 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.880 -0.182 19033 1835 1 7 . 1 1 31 31 HIS CA C 31 54.672 54.672 57.331 -2.659 19033 1836 1 7 . 1 1 31 31 HIS CB C 31 28.040 28.040 33.042 -5.002 19033 1837 1 7 . 1 1 31 31 HIS H H 31 9.289 9.289 9.120 0.169 19033 1838 1 7 . 1 1 32 32 ASN N N 32 112.446 112.446 117.254 -4.808 19033 1839 1 7 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.953 -0.003 19033 1840 1 7 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.867 -2.195 19033 1841 1 7 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.534 -2.244 19033 1842 1 7 . 1 1 32 32 ASN H H 32 7.866 7.866 8.183 -0.317 19033 1843 1 7 . 1 1 33 33 GLU N N 33 123.553 123.553 121.369 2.184 19033 1844 1 7 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.656 -0.251 19033 1845 1 7 . 1 1 33 33 GLU CA C 33 54.104 54.104 56.044 -1.940 19033 1846 1 7 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.312 -3.634 19033 1847 1 7 . 1 1 33 33 GLU H H 33 8.723 8.723 8.687 0.036 19033 1848 1 7 . 1 1 34 34 LEU N N 34 125.739 125.739 125.166 0.573 19033 1849 1 7 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.644 0.006 19033 1850 1 7 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.650 -2.306 19033 1851 1 7 . 1 1 34 34 LEU CB C 34 39.813 39.813 44.057 -4.244 19033 1852 1 7 . 1 1 34 34 LEU H H 34 8.488 8.488 8.377 0.111 19033 1853 1 7 . 1 1 35 35 GLU N N 35 117.915 117.915 119.075 -1.160 19033 1854 1 7 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.573 -0.284 19033 1855 1 7 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.487 -2.055 19033 1856 1 7 . 1 1 35 35 GLU CB C 35 27.756 27.756 30.364 -2.608 19033 1857 1 7 . 1 1 35 35 GLU H H 35 8.174 8.174 8.528 -0.354 19033 1858 1 7 . 1 1 36 36 ASP N N 36 116.640 116.640 120.048 -3.408 19033 1859 1 7 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.855 -0.492 19033 1860 1 7 . 1 1 36 36 ASP CA C 36 52.392 52.392 53.973 -1.581 19033 1861 1 7 . 1 1 36 36 ASP CB C 36 37.268 37.268 41.041 -3.773 19033 1862 1 7 . 1 1 36 36 ASP H H 36 8.755 8.755 8.376 0.379 19033 1863 1 7 . 1 1 37 37 GLY N N 37 104.775 104.775 106.666 -1.891 19033 1864 1 7 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.013 -1.947 19033 1865 1 7 . 1 1 37 37 GLY H H 37 8.235 8.235 8.214 0.021 19033 1866 1 7 . 1 1 38 38 TRP N N 38 119.789 119.789 119.928 -0.139 19033 1867 1 7 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.431 -0.479 19033 1868 1 7 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.601 -0.912 19033 1869 1 7 . 1 1 38 38 TRP CB C 38 28.348 28.348 32.329 -3.981 19033 1870 1 7 . 1 1 38 38 TRP H H 38 7.331 7.331 7.795 -0.464 19033 1871 1 7 . 1 1 39 39 MET N N 39 118.460 118.460 117.977 0.483 19033 1872 1 7 . 1 1 39 39 MET HA H 39 4.941 4.941 4.963 -0.022 19033 1873 1 7 . 1 1 39 39 MET CA C 39 52.194 52.194 54.918 -2.724 19033 1874 1 7 . 1 1 39 39 MET CB C 39 35.101 35.101 37.480 -2.378 19033 1875 1 7 . 1 1 39 39 MET H H 39 9.330 9.330 8.865 0.465 19033 1876 1 7 . 1 1 40 40 TRP N N 40 123.201 123.201 124.919 -1.718 19033 1877 1 7 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.177 -0.109 19033 1878 1 7 . 1 1 40 40 TRP CA C 40 54.321 54.321 57.944 -3.623 19033 1879 1 7 . 1 1 40 40 TRP CB C 40 27.857 27.857 31.621 -3.764 19033 1880 1 7 . 1 1 40 40 TRP H H 40 8.777 8.777 8.510 0.267 19033 1881 1 7 . 1 1 41 41 VAL N N 41 120.754 120.754 119.172 1.582 19033 1882 1 7 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.480 -0.033 19033 1883 1 7 . 1 1 41 41 VAL CA C 41 56.711 56.711 58.863 -2.152 19033 1884 1 7 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.078 -0.650 19033 1885 1 7 . 1 1 41 41 VAL H H 41 8.755 8.755 8.591 0.164 19033 1886 1 7 . 1 1 42 42 THR N N 42 112.967 112.967 116.196 -3.229 19033 1887 1 7 . 1 1 42 42 THR HA H 42 4.999 4.999 5.048 -0.049 19033 1888 1 7 . 1 1 42 42 THR CA C 42 59.763 59.763 61.822 -2.059 19033 1889 1 7 . 1 1 42 42 THR CB C 42 68.696 68.696 70.944 -2.248 19033 1890 1 7 . 1 1 42 42 THR H H 42 8.142 8.142 8.162 -0.020 19033 1891 1 7 . 1 1 43 43 ASN N N 43 124.680 124.680 122.954 1.726 19033 1892 1 7 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.003 -0.594 19033 1893 1 7 . 1 1 43 43 ASN CA C 43 50.340 50.340 52.501 -2.161 19033 1894 1 7 . 1 1 43 43 ASN CB C 43 36.786 36.786 40.112 -3.326 19033 1895 1 7 . 1 1 43 43 ASN H H 43 8.848 8.848 8.817 0.031 19033 1896 1 7 . 1 1 44 44 LEU N N 44 126.753 126.753 120.159 6.594 19033 1897 1 7 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.400 -0.351 19033 1898 1 7 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.898 -2.643 19033 1899 1 7 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.997 -3.350 19033 1900 1 7 . 1 1 44 44 LEU H H 44 8.841 8.841 7.953 0.888 19033 1901 1 7 . 1 1 45 45 ARG N N 45 119.154 119.154 119.947 -0.793 19033 1902 1 7 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.072 0.083 19033 1903 1 7 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.707 -2.388 19033 1904 1 7 . 1 1 45 45 ARG CB C 45 27.552 27.552 29.915 -2.363 19033 1905 1 7 . 1 1 45 45 ARG H H 45 8.452 8.452 7.912 0.540 19033 1906 1 7 . 1 1 46 46 THR N N 46 105.128 105.128 110.431 -5.303 19033 1907 1 7 . 1 1 46 46 THR HA H 46 4.180 4.180 4.368 -0.188 19033 1908 1 7 . 1 1 46 46 THR CA C 46 58.368 58.368 61.324 -2.956 19033 1909 1 7 . 1 1 46 46 THR CB C 46 67.991 67.991 68.876 -0.885 19033 1910 1 7 . 1 1 46 46 THR H H 46 6.842 6.842 7.433 -0.591 19033 1911 1 7 . 1 1 47 47 ASP N N 47 120.147 120.147 121.311 -1.164 19033 1912 1 7 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.368 -0.095 19033 1913 1 7 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.509 -1.916 19033 1914 1 7 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.725 -2.977 19033 1915 1 7 . 1 1 47 47 ASP H H 47 8.650 8.650 7.810 0.840 19033 1916 1 7 . 1 1 48 48 GLU N N 48 117.574 117.574 115.977 1.597 19033 1917 1 7 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.172 0.122 19033 1918 1 7 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.111 -3.368 19033 1919 1 7 . 1 1 48 48 GLU CB C 48 29.503 29.503 30.184 -0.681 19033 1920 1 7 . 1 1 48 48 GLU H H 48 7.454 7.454 8.016 -0.562 19033 1921 1 7 . 1 1 49 49 GLN N N 49 119.154 119.154 122.002 -2.848 19033 1922 1 7 . 1 1 49 49 GLN HA H 49 5.649 5.649 5.099 0.550 19033 1923 1 7 . 1 1 49 49 GLN CA C 49 50.614 50.614 54.553 -3.939 19033 1924 1 7 . 1 1 49 49 GLN CB C 49 29.447 29.447 33.436 -3.989 19033 1925 1 7 . 1 1 49 49 GLN H H 49 8.314 8.314 8.356 -0.042 19033 1926 1 7 . 1 1 50 50 GLY N N 50 108.506 108.506 107.137 1.369 19033 1927 1 7 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.322 -2.067 19033 1928 1 7 . 1 1 50 50 GLY H H 50 7.795 7.795 7.658 0.137 19033 1929 1 7 . 1 1 51 51 LEU N N 51 119.484 119.484 120.890 -1.406 19033 1930 1 7 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.286 0.092 19033 1931 1 7 . 1 1 51 51 LEU CA C 51 51.274 51.274 53.538 -2.264 19033 1932 1 7 . 1 1 51 51 LEU CB C 51 43.574 43.574 44.676 -1.103 19033 1933 1 7 . 1 1 51 51 LEU H H 51 7.748 7.748 7.900 -0.152 19033 1934 1 7 . 1 1 52 52 ILE N N 52 114.127 114.127 115.243 -1.116 19033 1935 1 7 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.734 -0.089 19033 1936 1 7 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.809 -2.469 19033 1937 1 7 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.218 -1.312 19033 1938 1 7 . 1 1 52 52 ILE H H 52 8.802 8.802 8.706 0.096 19033 1939 1 7 . 1 1 53 53 VAL N N 53 120.370 120.370 122.695 -2.325 19033 1940 1 7 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.855 0.163 19033 1941 1 7 . 1 1 53 53 VAL CA C 53 56.467 56.467 59.960 -3.493 19033 1942 1 7 . 1 1 53 53 VAL CB C 53 30.327 30.327 33.119 -2.792 19033 1943 1 7 . 1 1 53 53 VAL H H 53 7.495 7.495 7.984 -0.489 19033 1944 1 7 . 1 1 54 54 GLU N N 54 122.759 122.759 127.532 -4.773 19033 1945 1 7 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.981 -0.391 19033 1946 1 7 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.438 -2.874 19033 1947 1 7 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.176 -2.750 19033 1948 1 7 . 1 1 54 54 GLU H H 54 8.104 8.104 8.752 -0.648 19033 1949 1 7 . 1 1 55 55 ASP N N 55 114.708 114.708 120.056 -5.348 19033 1950 1 7 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.410 -0.206 19033 1951 1 7 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.703 -3.417 19033 1952 1 7 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.866 -2.751 19033 1953 1 7 . 1 1 55 55 ASP H H 55 7.394 7.394 8.384 -0.990 19033 1954 1 7 . 1 1 56 56 LEU N N 56 116.100 116.100 117.769 -1.669 19033 1955 1 7 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.710 -0.312 19033 1956 1 7 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.367 -2.468 19033 1957 1 7 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.624 -4.060 19033 1958 1 7 . 1 1 56 56 LEU H H 56 7.121 7.121 7.375 -0.254 19033 1959 1 7 . 1 1 57 57 VAL N N 57 109.850 109.850 115.029 -5.179 19033 1960 1 7 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.057 0.324 19033 1961 1 7 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.402 -2.842 19033 1962 1 7 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.051 -1.307 19033 1963 1 7 . 1 1 57 57 VAL H H 57 7.438 7.438 7.302 0.136 19033 1964 1 7 . 1 1 58 58 GLU N N 58 116.558 116.558 119.748 -3.190 19033 1965 1 7 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.700 0.135 19033 1966 1 7 . 1 1 58 58 GLU CA C 58 50.156 50.156 53.700 -3.544 19033 1967 1 7 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.302 -1.948 19033 1968 1 7 . 1 1 58 58 GLU H H 58 8.886 8.886 8.802 0.084 19033 1969 1 7 . 1 1 59 59 GLU N N 59 121.900 121.900 121.460 0.440 19033 1970 1 7 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.162 0.067 19033 1971 1 7 . 1 1 59 59 GLU CA C 59 54.417 54.417 56.860 -2.443 19033 1972 1 7 . 1 1 59 59 GLU CB C 59 27.517 27.517 28.358 -0.841 19033 1973 1 7 . 1 1 59 59 GLU H H 59 8.659 8.659 8.730 -0.071 19033 1974 1 7 . 1 1 60 60 VAL N N 60 122.505 122.505 122.093 0.412 19033 1975 1 7 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.003 0.084 19033 1976 1 7 . 1 1 60 60 VAL CA C 60 59.466 59.466 62.898 -3.432 19033 1977 1 7 . 1 1 60 60 VAL CB C 60 30.306 30.306 33.529 -3.223 19033 1978 1 7 . 1 1 60 60 VAL H H 60 8.069 8.069 8.033 0.036 19033 1979 1 7 . 1 1 61 61 GLY N N 61 112.799 112.799 110.390 2.409 19033 1980 1 7 . 1 1 61 61 GLY CA C 61 42.709 42.709 44.843 -2.134 19033 1981 1 7 . 1 1 61 61 GLY H H 61 8.383 8.383 8.386 -0.003 19033 1982 1 8 . 1 1 3 3 ARG N N 3 123.172 123.172 116.921 6.251 19033 1983 1 8 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.981 -0.683 19033 1984 1 8 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.536 -0.359 19033 1985 1 8 . 1 1 3 3 ARG CB C 3 29.313 29.313 32.190 -2.877 19033 1986 1 8 . 1 1 3 3 ARG H H 3 8.600 8.600 7.827 0.773 19033 1987 1 8 . 1 1 4 4 ARG N N 4 122.811 122.811 117.695 5.116 19033 1988 1 8 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.903 0.542 19033 1989 1 8 . 1 1 4 4 ARG CA C 4 51.948 51.948 54.933 -2.985 19033 1990 1 8 . 1 1 4 4 ARG CB C 4 30.814 30.814 33.422 -2.608 19033 1991 1 8 . 1 1 4 4 ARG H H 4 8.458 8.458 8.077 0.381 19033 1992 1 8 . 1 1 5 5 VAL N N 5 112.133 112.133 114.158 -2.025 19033 1993 1 8 . 1 1 5 5 VAL HA H 5 5.084 5.084 4.946 0.138 19033 1994 1 8 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.458 -3.563 19033 1995 1 8 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.166 -1.552 19033 1996 1 8 . 1 1 5 5 VAL H H 5 8.173 8.173 8.861 -0.688 19033 1997 1 8 . 1 1 6 6 ARG N N 6 120.981 120.981 121.242 -0.261 19033 1998 1 8 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.808 0.807 19033 1999 1 8 . 1 1 6 6 ARG CA C 6 50.883 50.883 53.235 -2.352 19033 2000 1 8 . 1 1 6 6 ARG CB C 6 32.664 32.664 33.553 -0.889 19033 2001 1 8 . 1 1 6 6 ARG H H 6 9.102 9.102 8.791 0.311 19033 2002 1 8 . 1 1 7 7 ALA N N 7 127.309 127.309 129.728 -2.419 19033 2003 1 8 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.771 0.054 19033 2004 1 8 . 1 1 7 7 ALA CA C 7 50.010 50.010 52.163 -2.153 19033 2005 1 8 . 1 1 7 7 ALA CB C 7 18.560 18.560 19.872 -1.312 19033 2006 1 8 . 1 1 7 7 ALA H H 7 9.300 9.300 8.928 0.372 19033 2007 1 8 . 1 1 8 8 ILE N N 8 119.944 119.944 118.983 0.961 19033 2008 1 8 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.594 -0.301 19033 2009 1 8 . 1 1 8 8 ILE CA C 8 59.073 59.073 61.325 -2.252 19033 2010 1 8 . 1 1 8 8 ILE CB C 8 36.125 36.125 38.316 -2.191 19033 2011 1 8 . 1 1 8 8 ILE H H 8 9.095 9.095 8.994 0.101 19033 2012 1 8 . 1 1 9 9 LEU N N 9 123.267 123.267 120.610 2.657 19033 2013 1 8 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.927 -0.378 19033 2014 1 8 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.315 -2.379 19033 2015 1 8 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.559 -0.678 19033 2016 1 8 . 1 1 9 9 LEU H H 9 7.738 7.738 7.630 0.108 19033 2017 1 8 . 1 1 10 10 PRO HA H 10 4.534 4.534 5.029 -0.495 19033 2018 1 8 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.092 -2.946 19033 2019 1 8 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.599 -2.234 19033 2020 1 8 . 1 1 11 11 TYR N N 11 117.178 117.178 119.195 -2.017 19033 2021 1 8 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.449 -0.379 19033 2022 1 8 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.108 -0.805 19033 2023 1 8 . 1 1 11 11 TYR CB C 11 39.864 39.864 41.676 -1.812 19033 2024 1 8 . 1 1 11 11 TYR H H 11 7.754 7.754 8.509 -0.755 19033 2025 1 8 . 1 1 12 12 THR N N 12 125.004 125.004 117.473 7.531 19033 2026 1 8 . 1 1 12 12 THR HA H 12 4.224 4.224 4.477 -0.253 19033 2027 1 8 . 1 1 12 12 THR CA C 12 57.833 57.833 59.505 -1.672 19033 2028 1 8 . 1 1 12 12 THR CB C 12 66.962 66.962 69.394 -2.432 19033 2029 1 8 . 1 1 12 12 THR H H 12 7.149 7.149 7.078 0.071 19033 2030 1 8 . 1 1 13 13 LYS N N 13 123.175 123.175 127.678 -4.503 19033 2031 1 8 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.306 -0.158 19033 2032 1 8 . 1 1 13 13 LYS CA C 13 52.749 52.749 56.475 -3.726 19033 2033 1 8 . 1 1 13 13 LYS CB C 13 30.350 30.350 32.886 -2.536 19033 2034 1 8 . 1 1 13 13 LYS H H 13 8.121 8.121 8.410 -0.289 19033 2035 1 8 . 1 1 14 14 VAL N N 14 126.091 126.091 122.186 3.905 19033 2036 1 8 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.264 -0.216 19033 2037 1 8 . 1 1 14 14 VAL CA C 14 58.059 58.059 60.127 -2.068 19033 2038 1 8 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.739 -2.345 19033 2039 1 8 . 1 1 14 14 VAL H H 14 8.061 8.061 8.590 -0.529 19033 2040 1 8 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.438 -0.318 19033 2041 1 8 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.941 -2.891 19033 2042 1 8 . 1 1 15 15 PRO CB C 15 29.695 29.695 31.991 -2.296 19033 2043 1 8 . 1 1 16 16 ASP N N 16 115.188 115.188 118.275 -3.087 19033 2044 1 8 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.413 -0.126 19033 2045 1 8 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.307 -2.118 19033 2046 1 8 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.500 -4.189 19033 2047 1 8 . 1 1 16 16 ASP H H 16 8.808 8.808 8.909 -0.101 19033 2048 1 8 . 1 1 17 17 THR N N 17 106.185 106.185 109.740 -3.555 19033 2049 1 8 . 1 1 17 17 THR HA H 17 4.704 4.704 4.627 0.077 19033 2050 1 8 . 1 1 17 17 THR CA C 17 58.069 58.069 60.339 -2.269 19033 2051 1 8 . 1 1 17 17 THR CB C 17 70.764 70.764 71.165 -0.401 19033 2052 1 8 . 1 1 17 17 THR H H 17 7.264 7.264 7.476 -0.212 19033 2053 1 8 . 1 1 18 18 ASP N N 18 117.426 117.426 117.751 -0.325 19033 2054 1 8 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.595 0.368 19033 2055 1 8 . 1 1 18 18 ASP CA C 18 51.920 51.920 55.434 -3.514 19033 2056 1 8 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.709 -2.650 19033 2057 1 8 . 1 1 18 18 ASP H H 18 8.855 8.855 8.526 0.329 19033 2058 1 8 . 1 1 19 19 GLU N N 19 119.666 119.666 117.976 1.690 19033 2059 1 8 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.346 0.348 19033 2060 1 8 . 1 1 19 19 GLU CA C 19 54.515 54.515 56.103 -1.588 19033 2061 1 8 . 1 1 19 19 GLU CB C 19 29.535 29.535 30.190 -0.655 19033 2062 1 8 . 1 1 19 19 GLU H H 19 7.603 7.603 7.378 0.225 19033 2063 1 8 . 1 1 20 20 ILE N N 20 109.127 109.127 116.050 -6.923 19033 2064 1 8 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.623 0.230 19033 2065 1 8 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.721 -3.464 19033 2066 1 8 . 1 1 20 20 ILE CB C 20 38.401 38.401 39.875 -1.474 19033 2067 1 8 . 1 1 20 20 ILE H H 20 6.909 6.909 7.841 -0.932 19033 2068 1 8 . 1 1 21 21 SER N N 21 117.834 117.834 120.329 -2.495 19033 2069 1 8 . 1 1 21 21 SER HA H 21 4.796 4.796 4.698 0.098 19033 2070 1 8 . 1 1 21 21 SER CA C 21 54.907 54.907 59.542 -4.635 19033 2071 1 8 . 1 1 21 21 SER CB C 21 61.426 61.426 63.743 -2.317 19033 2072 1 8 . 1 1 21 21 SER H H 21 8.738 8.738 8.453 0.285 19033 2073 1 8 . 1 1 22 22 PHE N N 22 116.177 116.177 116.241 -0.064 19033 2074 1 8 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.045 -0.380 19033 2075 1 8 . 1 1 22 22 PHE CA C 22 53.807 53.807 56.758 -2.951 19033 2076 1 8 . 1 1 22 22 PHE CB C 22 38.324 38.324 40.700 -2.376 19033 2077 1 8 . 1 1 22 22 PHE H H 22 8.860 8.860 8.637 0.223 19033 2078 1 8 . 1 1 23 23 LEU N N 23 121.283 121.283 119.976 1.307 19033 2079 1 8 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.802 -0.191 19033 2080 1 8 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.324 -3.371 19033 2081 1 8 . 1 1 23 23 LEU CB C 23 41.634 41.634 46.478 -4.845 19033 2082 1 8 . 1 1 23 23 LEU H H 23 8.681 8.681 8.670 0.011 19033 2083 1 8 . 1 1 24 24 LYS N N 24 119.660 119.660 121.400 -1.740 19033 2084 1 8 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.928 -0.606 19033 2085 1 8 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.210 -1.782 19033 2086 1 8 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.500 -2.513 19033 2087 1 8 . 1 1 24 24 LYS H H 24 8.076 8.076 8.473 -0.397 19033 2088 1 8 . 1 1 25 25 GLY N N 25 115.402 115.402 114.425 0.977 19033 2089 1 8 . 1 1 25 25 GLY CA C 25 42.313 42.313 45.104 -2.791 19033 2090 1 8 . 1 1 25 25 GLY H H 25 8.569 8.569 8.828 -0.259 19033 2091 1 8 . 1 1 26 26 ASP N N 26 122.287 122.287 121.427 0.860 19033 2092 1 8 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.691 -0.384 19033 2093 1 8 . 1 1 26 26 ASP CA C 26 53.273 53.273 54.877 -1.604 19033 2094 1 8 . 1 1 26 26 ASP CB C 26 37.932 37.932 41.531 -3.599 19033 2095 1 8 . 1 1 26 26 ASP H H 26 7.847 7.847 7.550 0.297 19033 2096 1 8 . 1 1 27 27 MET N N 27 119.570 119.570 116.283 3.287 19033 2097 1 8 . 1 1 27 27 MET HA H 27 5.070 5.070 4.773 0.297 19033 2098 1 8 . 1 1 27 27 MET CA C 27 50.485 50.485 54.411 -3.926 19033 2099 1 8 . 1 1 27 27 MET CB C 27 32.786 32.786 37.332 -4.546 19033 2100 1 8 . 1 1 27 27 MET H H 27 8.117 8.117 8.263 -0.146 19033 2101 1 8 . 1 1 28 28 PHE N N 28 116.911 116.911 117.634 -0.723 19033 2102 1 8 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.652 0.007 19033 2103 1 8 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.555 -3.318 19033 2104 1 8 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.196 -4.069 19033 2105 1 8 . 1 1 28 28 PHE H H 28 8.909 8.909 8.738 0.171 19033 2106 1 8 . 1 1 29 29 ILE N N 29 118.126 118.126 117.744 0.382 19033 2107 1 8 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.612 -0.058 19033 2108 1 8 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.654 -3.106 19033 2109 1 8 . 1 1 29 29 ILE CB C 29 37.618 37.618 40.557 -2.939 19033 2110 1 8 . 1 1 29 29 ILE H H 29 8.060 8.060 8.481 -0.421 19033 2111 1 8 . 1 1 30 30 VAL N N 30 125.411 125.411 126.788 -1.377 19033 2112 1 8 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.894 -0.030 19033 2113 1 8 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.854 -3.980 19033 2114 1 8 . 1 1 30 30 VAL CB C 30 29.863 29.863 31.449 -1.586 19033 2115 1 8 . 1 1 30 30 VAL H H 30 8.331 8.331 7.996 0.335 19033 2116 1 8 . 1 1 31 31 HIS N N 31 127.208 127.208 128.544 -1.336 19033 2117 1 8 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.915 -0.217 19033 2118 1 8 . 1 1 31 31 HIS CA C 31 54.672 54.672 57.013 -2.341 19033 2119 1 8 . 1 1 31 31 HIS CB C 31 28.040 28.040 32.233 -4.193 19033 2120 1 8 . 1 1 31 31 HIS H H 31 9.289 9.289 9.075 0.214 19033 2121 1 8 . 1 1 32 32 ASN N N 32 112.446 112.446 116.299 -3.853 19033 2122 1 8 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.993 -0.043 19033 2123 1 8 . 1 1 32 32 ASN CA C 32 50.672 50.672 53.022 -2.350 19033 2124 1 8 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.890 -2.600 19033 2125 1 8 . 1 1 32 32 ASN H H 32 7.866 7.866 8.009 -0.143 19033 2126 1 8 . 1 1 33 33 GLU N N 33 123.553 123.553 120.291 3.262 19033 2127 1 8 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.698 -0.293 19033 2128 1 8 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.941 -1.837 19033 2129 1 8 . 1 1 33 33 GLU CB C 33 27.678 27.678 32.008 -4.330 19033 2130 1 8 . 1 1 33 33 GLU H H 33 8.723 8.723 8.648 0.075 19033 2131 1 8 . 1 1 34 34 LEU N N 34 125.739 125.739 124.692 1.047 19033 2132 1 8 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.711 -0.061 19033 2133 1 8 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.502 -2.158 19033 2134 1 8 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.849 -4.036 19033 2135 1 8 . 1 1 34 34 LEU H H 34 8.488 8.488 8.283 0.205 19033 2136 1 8 . 1 1 35 35 GLU N N 35 117.915 117.915 120.002 -2.087 19033 2137 1 8 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.569 -0.280 19033 2138 1 8 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.495 -2.063 19033 2139 1 8 . 1 1 35 35 GLU CB C 35 27.756 27.756 30.268 -2.512 19033 2140 1 8 . 1 1 35 35 GLU H H 35 8.174 8.174 8.581 -0.407 19033 2141 1 8 . 1 1 36 36 ASP N N 36 116.640 116.640 120.873 -4.233 19033 2142 1 8 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.819 -0.456 19033 2143 1 8 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.499 -2.107 19033 2144 1 8 . 1 1 36 36 ASP CB C 36 37.268 37.268 41.289 -4.021 19033 2145 1 8 . 1 1 36 36 ASP H H 36 8.755 8.755 8.553 0.202 19033 2146 1 8 . 1 1 37 37 GLY N N 37 104.775 104.775 106.430 -1.655 19033 2147 1 8 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.430 -2.364 19033 2148 1 8 . 1 1 37 37 GLY H H 37 8.235 8.235 8.446 -0.211 19033 2149 1 8 . 1 1 38 38 TRP N N 38 119.789 119.789 119.293 0.496 19033 2150 1 8 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.300 -0.348 19033 2151 1 8 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.300 -0.611 19033 2152 1 8 . 1 1 38 38 TRP CB C 38 28.348 28.348 32.839 -4.491 19033 2153 1 8 . 1 1 38 38 TRP H H 38 7.331 7.331 7.602 -0.271 19033 2154 1 8 . 1 1 39 39 MET N N 39 118.460 118.460 118.272 0.188 19033 2155 1 8 . 1 1 39 39 MET HA H 39 4.941 4.941 4.996 -0.055 19033 2156 1 8 . 1 1 39 39 MET CA C 39 52.194 52.194 54.836 -2.642 19033 2157 1 8 . 1 1 39 39 MET CB C 39 35.101 35.101 37.071 -1.970 19033 2158 1 8 . 1 1 39 39 MET H H 39 9.330 9.330 8.962 0.368 19033 2159 1 8 . 1 1 40 40 TRP N N 40 123.201 123.201 126.276 -3.075 19033 2160 1 8 . 1 1 40 40 TRP HA H 40 5.068 5.068 4.897 0.171 19033 2161 1 8 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.774 -4.453 19033 2162 1 8 . 1 1 40 40 TRP CB C 40 27.857 27.857 30.913 -3.056 19033 2163 1 8 . 1 1 40 40 TRP H H 40 8.777 8.777 8.533 0.244 19033 2164 1 8 . 1 1 41 41 VAL N N 41 120.754 120.754 119.358 1.396 19033 2165 1 8 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.423 0.024 19033 2166 1 8 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.203 -2.492 19033 2167 1 8 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.367 -0.939 19033 2168 1 8 . 1 1 41 41 VAL H H 41 8.755 8.755 8.452 0.303 19033 2169 1 8 . 1 1 42 42 THR N N 42 112.967 112.967 115.037 -2.070 19033 2170 1 8 . 1 1 42 42 THR HA H 42 4.999 4.999 4.762 0.237 19033 2171 1 8 . 1 1 42 42 THR CA C 42 59.763 59.763 61.469 -1.706 19033 2172 1 8 . 1 1 42 42 THR CB C 42 68.696 68.696 70.727 -2.031 19033 2173 1 8 . 1 1 42 42 THR H H 42 8.142 8.142 7.951 0.191 19033 2174 1 8 . 1 1 43 43 ASN N N 43 124.680 124.680 122.687 1.993 19033 2175 1 8 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.225 -0.816 19033 2176 1 8 . 1 1 43 43 ASN CA C 43 50.340 50.340 51.888 -1.548 19033 2177 1 8 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.304 -2.518 19033 2178 1 8 . 1 1 43 43 ASN H H 43 8.848 8.848 8.912 -0.065 19033 2179 1 8 . 1 1 44 44 LEU N N 44 126.753 126.753 127.170 -0.417 19033 2180 1 8 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.288 -0.239 19033 2181 1 8 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.519 -2.264 19033 2182 1 8 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.259 -2.612 19033 2183 1 8 . 1 1 44 44 LEU H H 44 8.841 8.841 8.338 0.503 19033 2184 1 8 . 1 1 45 45 ARG N N 45 119.154 119.154 120.738 -1.584 19033 2185 1 8 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.150 0.005 19033 2186 1 8 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.773 -2.454 19033 2187 1 8 . 1 1 45 45 ARG CB C 45 27.552 27.552 31.098 -3.546 19033 2188 1 8 . 1 1 45 45 ARG H H 45 8.452 8.452 8.375 0.077 19033 2189 1 8 . 1 1 46 46 THR N N 46 105.128 105.128 105.215 -0.087 19033 2190 1 8 . 1 1 46 46 THR HA H 46 4.180 4.180 4.502 -0.322 19033 2191 1 8 . 1 1 46 46 THR CA C 46 58.368 58.368 61.491 -3.123 19033 2192 1 8 . 1 1 46 46 THR CB C 46 67.991 67.991 71.216 -3.225 19033 2193 1 8 . 1 1 46 46 THR H H 46 6.842 6.842 7.582 -0.740 19033 2194 1 8 . 1 1 47 47 ASP N N 47 120.147 120.147 120.446 -0.299 19033 2195 1 8 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.355 -0.082 19033 2196 1 8 . 1 1 47 47 ASP CA C 47 53.593 53.593 56.118 -2.525 19033 2197 1 8 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.015 -2.267 19033 2198 1 8 . 1 1 47 47 ASP H H 47 8.650 8.650 8.354 0.296 19033 2199 1 8 . 1 1 48 48 GLU N N 48 117.574 117.574 119.836 -2.262 19033 2200 1 8 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.144 0.150 19033 2201 1 8 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.020 -3.277 19033 2202 1 8 . 1 1 48 48 GLU CB C 48 29.503 29.503 29.945 -0.442 19033 2203 1 8 . 1 1 48 48 GLU H H 48 7.454 7.454 7.926 -0.472 19033 2204 1 8 . 1 1 49 49 GLN N N 49 119.154 119.154 123.302 -4.148 19033 2205 1 8 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.644 1.005 19033 2206 1 8 . 1 1 49 49 GLN CA C 49 50.614 50.614 56.106 -5.492 19033 2207 1 8 . 1 1 49 49 GLN CB C 49 29.447 29.447 30.346 -0.899 19033 2208 1 8 . 1 1 49 49 GLN H H 49 8.314 8.314 8.553 -0.239 19033 2209 1 8 . 1 1 50 50 GLY N N 50 108.506 108.506 105.104 3.402 19033 2210 1 8 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.112 -1.857 19033 2211 1 8 . 1 1 50 50 GLY H H 50 7.795 7.795 7.761 0.034 19033 2212 1 8 . 1 1 51 51 LEU N N 51 119.484 119.484 120.782 -1.298 19033 2213 1 8 . 1 1 51 51 LEU HA H 51 5.378 5.378 4.902 0.476 19033 2214 1 8 . 1 1 51 51 LEU CA C 51 51.274 51.274 53.928 -2.654 19033 2215 1 8 . 1 1 51 51 LEU CB C 51 43.574 43.574 44.293 -0.719 19033 2216 1 8 . 1 1 51 51 LEU H H 51 7.748 7.748 7.955 -0.207 19033 2217 1 8 . 1 1 52 52 ILE N N 52 114.127 114.127 117.028 -2.901 19033 2218 1 8 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.777 -0.132 19033 2219 1 8 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.603 -2.263 19033 2220 1 8 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.147 -1.241 19033 2221 1 8 . 1 1 52 52 ILE H H 52 8.802 8.802 8.358 0.444 19033 2222 1 8 . 1 1 53 53 VAL N N 53 120.370 120.370 122.690 -2.320 19033 2223 1 8 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.613 0.405 19033 2224 1 8 . 1 1 53 53 VAL CA C 53 56.467 56.467 60.226 -3.759 19033 2225 1 8 . 1 1 53 53 VAL CB C 53 30.327 30.327 32.768 -2.441 19033 2226 1 8 . 1 1 53 53 VAL H H 53 7.495 7.495 8.105 -0.610 19033 2227 1 8 . 1 1 54 54 GLU N N 54 122.759 122.759 127.920 -5.161 19033 2228 1 8 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.963 -0.373 19033 2229 1 8 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.767 -3.203 19033 2230 1 8 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.220 -2.794 19033 2231 1 8 . 1 1 54 54 GLU H H 54 8.104 8.104 8.510 -0.406 19033 2232 1 8 . 1 1 55 55 ASP N N 55 114.708 114.708 120.291 -5.583 19033 2233 1 8 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.355 -0.151 19033 2234 1 8 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.439 -3.153 19033 2235 1 8 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.683 -2.568 19033 2236 1 8 . 1 1 55 55 ASP H H 55 7.394 7.394 8.387 -0.993 19033 2237 1 8 . 1 1 56 56 LEU N N 56 116.100 116.100 116.857 -0.757 19033 2238 1 8 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.689 -0.291 19033 2239 1 8 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.264 -2.365 19033 2240 1 8 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.400 -3.836 19033 2241 1 8 . 1 1 56 56 LEU H H 56 7.121 7.121 7.306 -0.185 19033 2242 1 8 . 1 1 57 57 VAL N N 57 109.850 109.850 114.092 -4.242 19033 2243 1 8 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.170 0.211 19033 2244 1 8 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.842 -3.282 19033 2245 1 8 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.389 -1.645 19033 2246 1 8 . 1 1 57 57 VAL H H 57 7.438 7.438 7.429 0.009 19033 2247 1 8 . 1 1 58 58 GLU N N 58 116.558 116.558 121.579 -5.021 19033 2248 1 8 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.647 0.188 19033 2249 1 8 . 1 1 58 58 GLU CA C 58 50.156 50.156 53.949 -3.793 19033 2250 1 8 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.925 -2.571 19033 2251 1 8 . 1 1 58 58 GLU H H 58 8.886 8.886 8.760 0.126 19033 2252 1 8 . 1 1 59 59 GLU N N 59 121.900 121.900 122.940 -1.040 19033 2253 1 8 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.235 -0.006 19033 2254 1 8 . 1 1 59 59 GLU CA C 59 54.417 54.417 57.111 -2.694 19033 2255 1 8 . 1 1 59 59 GLU CB C 59 27.517 27.517 29.361 -1.844 19033 2256 1 8 . 1 1 59 59 GLU H H 59 8.659 8.659 8.640 0.019 19033 2257 1 8 . 1 1 60 60 VAL N N 60 122.505 122.505 123.451 -0.946 19033 2258 1 8 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.361 -0.274 19033 2259 1 8 . 1 1 60 60 VAL CA C 60 59.466 59.466 60.103 -0.637 19033 2260 1 8 . 1 1 60 60 VAL CB C 60 30.306 30.306 34.486 -4.180 19033 2261 1 8 . 1 1 60 60 VAL H H 60 8.069 8.069 7.729 0.340 19033 2262 1 8 . 1 1 61 61 GLY N N 61 112.799 112.799 114.927 -2.128 19033 2263 1 8 . 1 1 61 61 GLY CA C 61 42.709 42.709 44.798 -2.090 19033 2264 1 8 . 1 1 61 61 GLY H H 61 8.383 8.383 8.731 -0.348 19033 2265 1 9 . 1 1 3 3 ARG N N 3 123.172 123.172 124.789 -1.617 19033 2266 1 9 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.624 -0.326 19033 2267 1 9 . 1 1 3 3 ARG CA C 3 54.177 54.177 55.062 -0.885 19033 2268 1 9 . 1 1 3 3 ARG CB C 3 29.313 29.313 31.566 -2.253 19033 2269 1 9 . 1 1 3 3 ARG H H 3 8.600 8.600 8.662 -0.062 19033 2270 1 9 . 1 1 4 4 ARG N N 4 122.811 122.811 124.964 -2.153 19033 2271 1 9 . 1 1 4 4 ARG HA H 4 5.445 5.445 5.174 0.271 19033 2272 1 9 . 1 1 4 4 ARG CA C 4 51.948 51.948 53.754 -1.806 19033 2273 1 9 . 1 1 4 4 ARG CB C 4 30.814 30.814 33.233 -2.420 19033 2274 1 9 . 1 1 4 4 ARG H H 4 8.458 8.458 8.584 -0.126 19033 2275 1 9 . 1 1 5 5 VAL N N 5 112.133 112.133 113.348 -1.215 19033 2276 1 9 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.094 -0.010 19033 2277 1 9 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.036 -3.142 19033 2278 1 9 . 1 1 5 5 VAL CB C 5 33.614 33.614 36.175 -2.561 19033 2279 1 9 . 1 1 5 5 VAL H H 5 8.173 8.173 8.761 -0.588 19033 2280 1 9 . 1 1 6 6 ARG N N 6 120.981 120.981 120.493 0.488 19033 2281 1 9 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.465 1.150 19033 2282 1 9 . 1 1 6 6 ARG CA C 6 50.883 50.883 53.626 -2.743 19033 2283 1 9 . 1 1 6 6 ARG CB C 6 32.664 32.664 33.803 -1.139 19033 2284 1 9 . 1 1 6 6 ARG H H 6 9.102 9.102 8.615 0.487 19033 2285 1 9 . 1 1 7 7 ALA N N 7 127.309 127.309 129.621 -2.312 19033 2286 1 9 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.547 0.278 19033 2287 1 9 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.754 -1.744 19033 2288 1 9 . 1 1 7 7 ALA CB C 7 18.560 18.560 19.536 -0.976 19033 2289 1 9 . 1 1 7 7 ALA H H 7 9.300 9.300 8.490 0.810 19033 2290 1 9 . 1 1 8 8 ILE N N 8 119.944 119.944 119.229 0.715 19033 2291 1 9 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.629 -0.336 19033 2292 1 9 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.969 -1.896 19033 2293 1 9 . 1 1 8 8 ILE CB C 8 36.125 36.125 38.340 -2.216 19033 2294 1 9 . 1 1 8 8 ILE H H 8 9.095 9.095 8.549 0.546 19033 2295 1 9 . 1 1 9 9 LEU N N 9 123.267 123.267 121.091 2.176 19033 2296 1 9 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.962 -0.413 19033 2297 1 9 . 1 1 9 9 LEU CA C 9 49.936 49.936 51.899 -1.963 19033 2298 1 9 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.413 -0.531 19033 2299 1 9 . 1 1 9 9 LEU H H 9 7.738 7.738 7.614 0.124 19033 2300 1 9 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.858 -0.324 19033 2301 1 9 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.385 -3.239 19033 2302 1 9 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.739 -2.374 19033 2303 1 9 . 1 1 11 11 TYR N N 11 117.178 117.178 118.640 -1.462 19033 2304 1 9 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.619 -0.549 19033 2305 1 9 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.638 -1.335 19033 2306 1 9 . 1 1 11 11 TYR CB C 11 39.864 39.864 42.397 -2.533 19033 2307 1 9 . 1 1 11 11 TYR H H 11 7.754 7.754 8.606 -0.852 19033 2308 1 9 . 1 1 12 12 THR N N 12 125.004 125.004 119.848 5.156 19033 2309 1 9 . 1 1 12 12 THR HA H 12 4.224 4.224 4.500 -0.276 19033 2310 1 9 . 1 1 12 12 THR CA C 12 57.833 57.833 60.851 -3.018 19033 2311 1 9 . 1 1 12 12 THR CB C 12 66.962 66.962 69.299 -2.337 19033 2312 1 9 . 1 1 12 12 THR H H 12 7.149 7.149 7.735 -0.586 19033 2313 1 9 . 1 1 13 13 LYS N N 13 123.175 123.175 126.549 -3.374 19033 2314 1 9 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.539 -0.391 19033 2315 1 9 . 1 1 13 13 LYS CA C 13 52.749 52.749 56.507 -3.757 19033 2316 1 9 . 1 1 13 13 LYS CB C 13 30.350 30.350 32.816 -2.466 19033 2317 1 9 . 1 1 13 13 LYS H H 13 8.121 8.121 8.476 -0.355 19033 2318 1 9 . 1 1 14 14 VAL N N 14 126.091 126.091 123.412 2.679 19033 2319 1 9 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.193 -0.145 19033 2320 1 9 . 1 1 14 14 VAL CA C 14 58.059 58.059 60.847 -2.788 19033 2321 1 9 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.490 -2.096 19033 2322 1 9 . 1 1 14 14 VAL H H 14 8.061 8.061 8.920 -0.859 19033 2323 1 9 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.362 -0.242 19033 2324 1 9 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.734 -2.684 19033 2325 1 9 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.064 -2.369 19033 2326 1 9 . 1 1 16 16 ASP N N 16 115.188 115.188 118.810 -3.622 19033 2327 1 9 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.370 -0.083 19033 2328 1 9 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.239 -2.050 19033 2329 1 9 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.352 -4.041 19033 2330 1 9 . 1 1 16 16 ASP H H 16 8.808 8.808 8.977 -0.169 19033 2331 1 9 . 1 1 17 17 THR N N 17 106.185 106.185 108.779 -2.594 19033 2332 1 9 . 1 1 17 17 THR HA H 17 4.704 4.704 4.616 0.088 19033 2333 1 9 . 1 1 17 17 THR CA C 17 58.069 58.069 60.781 -2.712 19033 2334 1 9 . 1 1 17 17 THR CB C 17 70.764 70.764 70.941 -0.177 19033 2335 1 9 . 1 1 17 17 THR H H 17 7.264 7.264 7.662 -0.398 19033 2336 1 9 . 1 1 18 18 ASP N N 18 117.426 117.426 120.072 -2.646 19033 2337 1 9 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.475 0.488 19033 2338 1 9 . 1 1 18 18 ASP CA C 18 51.920 51.920 55.600 -3.680 19033 2339 1 9 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.572 -2.513 19033 2340 1 9 . 1 1 18 18 ASP H H 18 8.855 8.855 8.769 0.086 19033 2341 1 9 . 1 1 19 19 GLU N N 19 119.666 119.666 117.576 2.090 19033 2342 1 9 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.110 0.584 19033 2343 1 9 . 1 1 19 19 GLU CA C 19 54.515 54.515 57.214 -2.699 19033 2344 1 9 . 1 1 19 19 GLU CB C 19 29.535 29.535 30.621 -1.086 19033 2345 1 9 . 1 1 19 19 GLU H H 19 7.603 7.603 7.327 0.276 19033 2346 1 9 . 1 1 20 20 ILE N N 20 109.127 109.127 115.309 -6.182 19033 2347 1 9 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.582 0.271 19033 2348 1 9 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.890 -3.633 19033 2349 1 9 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.463 -2.062 19033 2350 1 9 . 1 1 20 20 ILE H H 20 6.909 6.909 7.605 -0.696 19033 2351 1 9 . 1 1 21 21 SER N N 21 117.834 117.834 118.517 -0.683 19033 2352 1 9 . 1 1 21 21 SER HA H 21 4.796 4.796 4.502 0.294 19033 2353 1 9 . 1 1 21 21 SER CA C 21 54.907 54.907 58.207 -3.300 19033 2354 1 9 . 1 1 21 21 SER CB C 21 61.426 61.426 63.958 -2.532 19033 2355 1 9 . 1 1 21 21 SER H H 21 8.738 8.738 8.527 0.211 19033 2356 1 9 . 1 1 22 22 PHE N N 22 116.177 116.177 116.917 -0.740 19033 2357 1 9 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.043 -0.378 19033 2358 1 9 . 1 1 22 22 PHE CA C 22 53.807 53.807 56.905 -3.098 19033 2359 1 9 . 1 1 22 22 PHE CB C 22 38.324 38.324 41.375 -3.051 19033 2360 1 9 . 1 1 22 22 PHE H H 22 8.860 8.860 7.827 1.033 19033 2361 1 9 . 1 1 23 23 LEU N N 23 121.283 121.283 120.539 0.744 19033 2362 1 9 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.900 -0.289 19033 2363 1 9 . 1 1 23 23 LEU CA C 23 49.953 49.953 52.694 -2.741 19033 2364 1 9 . 1 1 23 23 LEU CB C 23 41.634 41.634 44.422 -2.788 19033 2365 1 9 . 1 1 23 23 LEU H H 23 8.681 8.681 9.060 -0.379 19033 2366 1 9 . 1 1 24 24 LYS N N 24 119.660 119.660 120.462 -0.802 19033 2367 1 9 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.876 -0.554 19033 2368 1 9 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.371 -1.943 19033 2369 1 9 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.425 -2.438 19033 2370 1 9 . 1 1 24 24 LYS H H 24 8.076 8.076 8.431 -0.355 19033 2371 1 9 . 1 1 25 25 GLY N N 25 115.402 115.402 114.883 0.519 19033 2372 1 9 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.743 -2.430 19033 2373 1 9 . 1 1 25 25 GLY H H 25 8.569 8.569 8.704 -0.135 19033 2374 1 9 . 1 1 26 26 ASP N N 26 122.287 122.287 122.215 0.072 19033 2375 1 9 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.915 -0.608 19033 2376 1 9 . 1 1 26 26 ASP CA C 26 53.273 53.273 54.304 -1.031 19033 2377 1 9 . 1 1 26 26 ASP CB C 26 37.932 37.932 41.597 -3.665 19033 2378 1 9 . 1 1 26 26 ASP H H 26 7.847 7.847 7.557 0.290 19033 2379 1 9 . 1 1 27 27 MET N N 27 119.570 119.570 114.145 5.425 19033 2380 1 9 . 1 1 27 27 MET HA H 27 5.070 5.070 4.592 0.478 19033 2381 1 9 . 1 1 27 27 MET CA C 27 50.485 50.485 54.263 -3.777 19033 2382 1 9 . 1 1 27 27 MET CB C 27 32.786 32.786 37.198 -4.412 19033 2383 1 9 . 1 1 27 27 MET H H 27 8.117 8.117 7.804 0.313 19033 2384 1 9 . 1 1 28 28 PHE N N 28 116.911 116.911 115.780 1.131 19033 2385 1 9 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.663 -0.004 19033 2386 1 9 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.487 -3.250 19033 2387 1 9 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.541 -4.414 19033 2388 1 9 . 1 1 28 28 PHE H H 28 8.909 8.909 8.623 0.286 19033 2389 1 9 . 1 1 29 29 ILE N N 29 118.126 118.126 116.387 1.739 19033 2390 1 9 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.678 -0.124 19033 2391 1 9 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.552 -3.004 19033 2392 1 9 . 1 1 29 29 ILE CB C 29 37.618 37.618 41.035 -3.417 19033 2393 1 9 . 1 1 29 29 ILE H H 29 8.060 8.060 8.195 -0.135 19033 2394 1 9 . 1 1 30 30 VAL N N 30 125.411 125.411 124.644 0.767 19033 2395 1 9 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.883 -0.019 19033 2396 1 9 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.853 -3.979 19033 2397 1 9 . 1 1 30 30 VAL CB C 30 29.863 29.863 31.265 -1.403 19033 2398 1 9 . 1 1 30 30 VAL H H 30 8.331 8.331 8.358 -0.027 19033 2399 1 9 . 1 1 31 31 HIS N N 31 127.208 127.208 125.376 1.832 19033 2400 1 9 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.908 -0.210 19033 2401 1 9 . 1 1 31 31 HIS CA C 31 54.672 54.672 55.969 -1.297 19033 2402 1 9 . 1 1 31 31 HIS CB C 31 28.040 28.040 33.362 -5.322 19033 2403 1 9 . 1 1 31 31 HIS H H 31 9.289 9.289 9.202 0.087 19033 2404 1 9 . 1 1 32 32 ASN N N 32 112.446 112.446 117.741 -5.295 19033 2405 1 9 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.981 -0.031 19033 2406 1 9 . 1 1 32 32 ASN CA C 32 50.672 50.672 53.143 -2.471 19033 2407 1 9 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.896 -2.606 19033 2408 1 9 . 1 1 32 32 ASN H H 32 7.866 7.866 8.016 -0.150 19033 2409 1 9 . 1 1 33 33 GLU N N 33 123.553 123.553 120.979 2.574 19033 2410 1 9 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.667 -0.262 19033 2411 1 9 . 1 1 33 33 GLU CA C 33 54.104 54.104 56.125 -2.021 19033 2412 1 9 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.264 -3.586 19033 2413 1 9 . 1 1 33 33 GLU H H 33 8.723 8.723 8.697 0.026 19033 2414 1 9 . 1 1 34 34 LEU N N 34 125.739 125.739 125.775 -0.036 19033 2415 1 9 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.698 -0.048 19033 2416 1 9 . 1 1 34 34 LEU CA C 34 51.344 51.344 54.070 -2.726 19033 2417 1 9 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.908 -4.095 19033 2418 1 9 . 1 1 34 34 LEU H H 34 8.488 8.488 8.536 -0.048 19033 2419 1 9 . 1 1 35 35 GLU N N 35 117.915 117.915 121.179 -3.264 19033 2420 1 9 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.621 -0.332 19033 2421 1 9 . 1 1 35 35 GLU CA C 35 54.432 54.432 57.049 -2.617 19033 2422 1 9 . 1 1 35 35 GLU CB C 35 27.756 27.756 29.811 -2.055 19033 2423 1 9 . 1 1 35 35 GLU H H 35 8.174 8.174 8.475 -0.301 19033 2424 1 9 . 1 1 36 36 ASP N N 36 116.640 116.640 121.261 -4.621 19033 2425 1 9 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.750 -0.387 19033 2426 1 9 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.686 -2.294 19033 2427 1 9 . 1 1 36 36 ASP CB C 36 37.268 37.268 41.174 -3.906 19033 2428 1 9 . 1 1 36 36 ASP H H 36 8.755 8.755 8.485 0.270 19033 2429 1 9 . 1 1 37 37 GLY N N 37 104.775 104.775 106.816 -2.041 19033 2430 1 9 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.527 -2.461 19033 2431 1 9 . 1 1 37 37 GLY H H 37 8.235 8.235 8.449 -0.214 19033 2432 1 9 . 1 1 38 38 TRP N N 38 119.789 119.789 118.685 1.104 19033 2433 1 9 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.270 -0.318 19033 2434 1 9 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.514 -0.825 19033 2435 1 9 . 1 1 38 38 TRP CB C 38 28.348 28.348 32.761 -4.413 19033 2436 1 9 . 1 1 38 38 TRP H H 38 7.331 7.331 7.604 -0.273 19033 2437 1 9 . 1 1 39 39 MET N N 39 118.460 118.460 118.370 0.090 19033 2438 1 9 . 1 1 39 39 MET HA H 39 4.941 4.941 5.018 -0.077 19033 2439 1 9 . 1 1 39 39 MET CA C 39 52.194 52.194 54.743 -2.549 19033 2440 1 9 . 1 1 39 39 MET CB C 39 35.101 35.101 37.246 -2.145 19033 2441 1 9 . 1 1 39 39 MET H H 39 9.330 9.330 8.737 0.593 19033 2442 1 9 . 1 1 40 40 TRP N N 40 123.201 123.201 125.178 -1.977 19033 2443 1 9 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.134 -0.066 19033 2444 1 9 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.262 -3.941 19033 2445 1 9 . 1 1 40 40 TRP CB C 40 27.857 27.857 31.412 -3.555 19033 2446 1 9 . 1 1 40 40 TRP H H 40 8.777 8.777 8.415 0.362 19033 2447 1 9 . 1 1 41 41 VAL N N 41 120.754 120.754 119.138 1.616 19033 2448 1 9 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.512 -0.065 19033 2449 1 9 . 1 1 41 41 VAL CA C 41 56.711 56.711 58.919 -2.208 19033 2450 1 9 . 1 1 41 41 VAL CB C 41 34.428 34.428 34.822 -0.394 19033 2451 1 9 . 1 1 41 41 VAL H H 41 8.755 8.755 8.563 0.192 19033 2452 1 9 . 1 1 42 42 THR N N 42 112.967 112.967 114.615 -1.648 19033 2453 1 9 . 1 1 42 42 THR HA H 42 4.999 4.999 5.031 -0.032 19033 2454 1 9 . 1 1 42 42 THR CA C 42 59.763 59.763 61.685 -1.923 19033 2455 1 9 . 1 1 42 42 THR CB C 42 68.696 68.696 72.024 -3.328 19033 2456 1 9 . 1 1 42 42 THR H H 42 8.142 8.142 8.112 0.030 19033 2457 1 9 . 1 1 43 43 ASN N N 43 124.680 124.680 121.345 3.335 19033 2458 1 9 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.524 -1.115 19033 2459 1 9 . 1 1 43 43 ASN CA C 43 50.340 50.340 51.486 -1.146 19033 2460 1 9 . 1 1 43 43 ASN CB C 43 36.786 36.786 40.124 -3.338 19033 2461 1 9 . 1 1 43 43 ASN H H 43 8.848 8.848 8.909 -0.061 19033 2462 1 9 . 1 1 44 44 LEU N N 44 126.753 126.753 125.679 1.074 19033 2463 1 9 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.282 -0.233 19033 2464 1 9 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.992 -2.737 19033 2465 1 9 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.710 -3.063 19033 2466 1 9 . 1 1 44 44 LEU H H 44 8.841 8.841 8.181 0.660 19033 2467 1 9 . 1 1 45 45 ARG N N 45 119.154 119.154 120.275 -1.121 19033 2468 1 9 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.146 0.009 19033 2469 1 9 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.557 -2.238 19033 2470 1 9 . 1 1 45 45 ARG CB C 45 27.552 27.552 30.918 -3.366 19033 2471 1 9 . 1 1 45 45 ARG H H 45 8.452 8.452 8.109 0.343 19033 2472 1 9 . 1 1 46 46 THR N N 46 105.128 105.128 105.950 -0.822 19033 2473 1 9 . 1 1 46 46 THR HA H 46 4.180 4.180 4.461 -0.281 19033 2474 1 9 . 1 1 46 46 THR CA C 46 58.368 58.368 61.585 -3.217 19033 2475 1 9 . 1 1 46 46 THR CB C 46 67.991 67.991 70.221 -2.230 19033 2476 1 9 . 1 1 46 46 THR H H 46 6.842 6.842 7.684 -0.842 19033 2477 1 9 . 1 1 47 47 ASP N N 47 120.147 120.147 120.885 -0.738 19033 2478 1 9 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.348 -0.075 19033 2479 1 9 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.687 -2.094 19033 2480 1 9 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.083 -2.335 19033 2481 1 9 . 1 1 47 47 ASP H H 47 8.650 8.650 8.024 0.626 19033 2482 1 9 . 1 1 48 48 GLU N N 48 117.574 117.574 116.662 0.912 19033 2483 1 9 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.301 -0.007 19033 2484 1 9 . 1 1 48 48 GLU CA C 48 53.743 53.743 56.875 -3.132 19033 2485 1 9 . 1 1 48 48 GLU CB C 48 29.503 29.503 30.538 -1.035 19033 2486 1 9 . 1 1 48 48 GLU H H 48 7.454 7.454 7.750 -0.296 19033 2487 1 9 . 1 1 49 49 GLN N N 49 119.154 119.154 122.169 -3.015 19033 2488 1 9 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.878 0.771 19033 2489 1 9 . 1 1 49 49 GLN CA C 49 50.614 50.614 54.393 -3.779 19033 2490 1 9 . 1 1 49 49 GLN CB C 49 29.447 29.447 33.310 -3.863 19033 2491 1 9 . 1 1 49 49 GLN H H 49 8.314 8.314 8.417 -0.103 19033 2492 1 9 . 1 1 50 50 GLY N N 50 108.506 108.506 106.888 1.618 19033 2493 1 9 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.158 -1.903 19033 2494 1 9 . 1 1 50 50 GLY H H 50 7.795 7.795 7.346 0.449 19033 2495 1 9 . 1 1 51 51 LEU N N 51 119.484 119.484 120.959 -1.475 19033 2496 1 9 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.324 0.054 19033 2497 1 9 . 1 1 51 51 LEU CA C 51 51.274 51.274 53.501 -2.227 19033 2498 1 9 . 1 1 51 51 LEU CB C 51 43.574 43.574 44.597 -1.023 19033 2499 1 9 . 1 1 51 51 LEU H H 51 7.748 7.748 7.768 -0.020 19033 2500 1 9 . 1 1 52 52 ILE N N 52 114.127 114.127 117.093 -2.966 19033 2501 1 9 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.812 -0.167 19033 2502 1 9 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.499 -2.159 19033 2503 1 9 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.388 -1.482 19033 2504 1 9 . 1 1 52 52 ILE H H 52 8.802 8.802 8.424 0.378 19033 2505 1 9 . 1 1 53 53 VAL N N 53 120.370 120.370 122.394 -2.024 19033 2506 1 9 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.528 0.490 19033 2507 1 9 . 1 1 53 53 VAL CA C 53 56.467 56.467 59.922 -3.455 19033 2508 1 9 . 1 1 53 53 VAL CB C 53 30.327 30.327 32.971 -2.643 19033 2509 1 9 . 1 1 53 53 VAL H H 53 7.495 7.495 8.141 -0.646 19033 2510 1 9 . 1 1 54 54 GLU N N 54 122.759 122.759 125.477 -2.718 19033 2511 1 9 . 1 1 54 54 GLU HA H 54 3.590 3.590 4.102 -0.512 19033 2512 1 9 . 1 1 54 54 GLU CA C 54 55.564 55.564 57.683 -2.119 19033 2513 1 9 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.224 -2.798 19033 2514 1 9 . 1 1 54 54 GLU H H 54 8.104 8.104 8.000 0.104 19033 2515 1 9 . 1 1 55 55 ASP N N 55 114.708 114.708 120.201 -5.493 19033 2516 1 9 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.428 -0.224 19033 2517 1 9 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.213 -2.927 19033 2518 1 9 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.876 -2.761 19033 2519 1 9 . 1 1 55 55 ASP H H 55 7.394 7.394 8.370 -0.976 19033 2520 1 9 . 1 1 56 56 LEU N N 56 116.100 116.100 119.200 -3.100 19033 2521 1 9 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.720 -0.322 19033 2522 1 9 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.221 -2.322 19033 2523 1 9 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.185 -3.621 19033 2524 1 9 . 1 1 56 56 LEU H H 56 7.121 7.121 7.645 -0.524 19033 2525 1 9 . 1 1 57 57 VAL N N 57 109.850 109.850 114.949 -5.099 19033 2526 1 9 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.101 0.281 19033 2527 1 9 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.291 -2.731 19033 2528 1 9 . 1 1 57 57 VAL CB C 57 33.744 33.744 34.939 -1.195 19033 2529 1 9 . 1 1 57 57 VAL H H 57 7.438 7.438 7.401 0.037 19033 2530 1 9 . 1 1 58 58 GLU N N 58 116.558 116.558 120.009 -3.451 19033 2531 1 9 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.673 0.162 19033 2532 1 9 . 1 1 58 58 GLU CA C 58 50.156 50.156 53.873 -3.717 19033 2533 1 9 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.194 -1.841 19033 2534 1 9 . 1 1 58 58 GLU H H 58 8.886 8.886 8.714 0.172 19033 2535 1 9 . 1 1 59 59 GLU N N 59 121.900 121.900 123.122 -1.222 19033 2536 1 9 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.257 -0.028 19033 2537 1 9 . 1 1 59 59 GLU CA C 59 54.417 54.417 56.127 -1.710 19033 2538 1 9 . 1 1 59 59 GLU CB C 59 27.517 27.517 28.395 -0.878 19033 2539 1 9 . 1 1 59 59 GLU H H 59 8.659 8.659 8.848 -0.189 19033 2540 1 9 . 1 1 60 60 VAL N N 60 122.505 122.505 120.290 2.215 19033 2541 1 9 . 1 1 60 60 VAL HA H 60 4.087 4.087 3.887 0.200 19033 2542 1 9 . 1 1 60 60 VAL CA C 60 59.466 59.466 62.154 -2.688 19033 2543 1 9 . 1 1 60 60 VAL CB C 60 30.306 30.306 33.167 -2.861 19033 2544 1 9 . 1 1 60 60 VAL H H 60 8.069 8.069 8.056 0.013 19033 2545 1 9 . 1 1 61 61 GLY N N 61 112.799 112.799 111.659 1.140 19033 2546 1 9 . 1 1 61 61 GLY CA C 61 42.709 42.709 44.795 -2.086 19033 2547 1 9 . 1 1 61 61 GLY H H 61 8.383 8.383 8.660 -0.277 19033 2548 1 10 . 1 1 3 3 ARG N N 3 123.172 123.172 121.478 1.694 19033 2549 1 10 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.735 -0.437 19033 2550 1 10 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.420 -0.243 19033 2551 1 10 . 1 1 3 3 ARG CB C 3 29.313 29.313 34.115 -4.802 19033 2552 1 10 . 1 1 3 3 ARG H H 3 8.600 8.600 7.957 0.643 19033 2553 1 10 . 1 1 4 4 ARG N N 4 122.811 122.811 121.851 0.960 19033 2554 1 10 . 1 1 4 4 ARG HA H 4 5.445 5.445 5.049 0.396 19033 2555 1 10 . 1 1 4 4 ARG CA C 4 51.948 51.948 53.713 -1.765 19033 2556 1 10 . 1 1 4 4 ARG CB C 4 30.814 30.814 33.716 -2.902 19033 2557 1 10 . 1 1 4 4 ARG H H 4 8.458 8.458 8.739 -0.281 19033 2558 1 10 . 1 1 5 5 VAL N N 5 112.133 112.133 115.688 -3.555 19033 2559 1 10 . 1 1 5 5 VAL HA H 5 5.084 5.084 4.635 0.449 19033 2560 1 10 . 1 1 5 5 VAL CA C 5 55.894 55.894 60.045 -4.151 19033 2561 1 10 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.566 -1.952 19033 2562 1 10 . 1 1 5 5 VAL H H 5 8.173 8.173 8.406 -0.233 19033 2563 1 10 . 1 1 6 6 ARG N N 6 120.981 120.981 121.101 -0.120 19033 2564 1 10 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.868 0.747 19033 2565 1 10 . 1 1 6 6 ARG CA C 6 50.883 50.883 53.325 -2.442 19033 2566 1 10 . 1 1 6 6 ARG CB C 6 32.664 32.664 33.781 -1.117 19033 2567 1 10 . 1 1 6 6 ARG H H 6 9.102 9.102 8.273 0.829 19033 2568 1 10 . 1 1 7 7 ALA N N 7 127.309 127.309 128.011 -0.702 19033 2569 1 10 . 1 1 7 7 ALA HA H 7 4.825 4.825 5.199 -0.374 19033 2570 1 10 . 1 1 7 7 ALA CA C 7 50.010 50.010 50.338 -0.328 19033 2571 1 10 . 1 1 7 7 ALA CB C 7 18.560 18.560 21.443 -2.883 19033 2572 1 10 . 1 1 7 7 ALA H H 7 9.300 9.300 9.206 0.094 19033 2573 1 10 . 1 1 8 8 ILE N N 8 119.944 119.944 118.245 1.699 19033 2574 1 10 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.627 -0.334 19033 2575 1 10 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.209 -1.136 19033 2576 1 10 . 1 1 8 8 ILE CB C 8 36.125 36.125 37.357 -1.232 19033 2577 1 10 . 1 1 8 8 ILE H H 8 9.095 9.095 8.809 0.286 19033 2578 1 10 . 1 1 9 9 LEU N N 9 123.267 123.267 121.381 1.886 19033 2579 1 10 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.902 -0.353 19033 2580 1 10 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.133 -2.196 19033 2581 1 10 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.651 -0.769 19033 2582 1 10 . 1 1 9 9 LEU H H 9 7.738 7.738 7.757 -0.019 19033 2583 1 10 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.053 0.481 19033 2584 1 10 . 1 1 10 10 PRO CA C 10 59.146 59.146 61.856 -2.710 19033 2585 1 10 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.495 -2.130 19033 2586 1 10 . 1 1 11 11 TYR N N 11 117.178 117.178 119.142 -1.964 19033 2587 1 10 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.656 -0.586 19033 2588 1 10 . 1 1 11 11 TYR CA C 11 56.303 56.303 58.055 -1.752 19033 2589 1 10 . 1 1 11 11 TYR CB C 11 39.864 39.864 41.940 -2.076 19033 2590 1 10 . 1 1 11 11 TYR H H 11 7.754 7.754 7.772 -0.018 19033 2591 1 10 . 1 1 12 12 THR N N 12 125.004 125.004 122.970 2.034 19033 2592 1 10 . 1 1 12 12 THR HA H 12 4.224 4.224 4.623 -0.399 19033 2593 1 10 . 1 1 12 12 THR CA C 12 57.833 57.833 61.350 -3.517 19033 2594 1 10 . 1 1 12 12 THR CB C 12 66.962 66.962 69.128 -2.166 19033 2595 1 10 . 1 1 12 12 THR H H 12 7.149 7.149 8.196 -1.047 19033 2596 1 10 . 1 1 13 13 LYS N N 13 123.175 123.175 126.790 -3.615 19033 2597 1 10 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.628 -0.480 19033 2598 1 10 . 1 1 13 13 LYS CA C 13 52.749 52.749 55.995 -3.246 19033 2599 1 10 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.651 -3.300 19033 2600 1 10 . 1 1 13 13 LYS H H 13 8.121 8.121 8.626 -0.505 19033 2601 1 10 . 1 1 14 14 VAL N N 14 126.091 126.091 122.355 3.736 19033 2602 1 10 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.436 -0.388 19033 2603 1 10 . 1 1 14 14 VAL CA C 14 58.059 58.059 59.815 -1.756 19033 2604 1 10 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.880 -2.486 19033 2605 1 10 . 1 1 14 14 VAL H H 14 8.061 8.061 9.324 -1.263 19033 2606 1 10 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.417 -0.297 19033 2607 1 10 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.668 -2.618 19033 2608 1 10 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.149 -2.454 19033 2609 1 10 . 1 1 16 16 ASP N N 16 115.188 115.188 117.402 -2.214 19033 2610 1 10 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.427 -0.140 19033 2611 1 10 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.195 -2.006 19033 2612 1 10 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.401 -4.090 19033 2613 1 10 . 1 1 16 16 ASP H H 16 8.808 8.808 9.041 -0.233 19033 2614 1 10 . 1 1 17 17 THR N N 17 106.185 106.185 108.887 -2.702 19033 2615 1 10 . 1 1 17 17 THR HA H 17 4.704 4.704 4.648 0.056 19033 2616 1 10 . 1 1 17 17 THR CA C 17 58.069 58.069 59.996 -1.927 19033 2617 1 10 . 1 1 17 17 THR CB C 17 70.764 70.764 70.988 -0.224 19033 2618 1 10 . 1 1 17 17 THR H H 17 7.264 7.264 7.559 -0.295 19033 2619 1 10 . 1 1 18 18 ASP N N 18 117.426 117.426 119.446 -2.020 19033 2620 1 10 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.895 0.068 19033 2621 1 10 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.103 -2.183 19033 2622 1 10 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.676 -2.618 19033 2623 1 10 . 1 1 18 18 ASP H H 18 8.855 8.855 8.674 0.181 19033 2624 1 10 . 1 1 19 19 GLU N N 19 119.666 119.666 119.031 0.635 19033 2625 1 10 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.407 0.287 19033 2626 1 10 . 1 1 19 19 GLU CA C 19 54.515 54.515 56.324 -1.809 19033 2627 1 10 . 1 1 19 19 GLU CB C 19 29.535 29.535 31.649 -2.114 19033 2628 1 10 . 1 1 19 19 GLU H H 19 7.603 7.603 7.512 0.091 19033 2629 1 10 . 1 1 20 20 ILE N N 20 109.127 109.127 113.637 -4.510 19033 2630 1 10 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.587 0.266 19033 2631 1 10 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.852 -3.595 19033 2632 1 10 . 1 1 20 20 ILE CB C 20 38.401 38.401 41.337 -2.937 19033 2633 1 10 . 1 1 20 20 ILE H H 20 6.909 6.909 7.998 -1.089 19033 2634 1 10 . 1 1 21 21 SER N N 21 117.834 117.834 118.208 -0.374 19033 2635 1 10 . 1 1 21 21 SER HA H 21 4.796 4.796 5.209 -0.413 19033 2636 1 10 . 1 1 21 21 SER CA C 21 54.907 54.907 57.692 -2.785 19033 2637 1 10 . 1 1 21 21 SER CB C 21 61.426 61.426 65.965 -4.539 19033 2638 1 10 . 1 1 21 21 SER H H 21 8.738 8.738 8.283 0.455 19033 2639 1 10 . 1 1 22 22 PHE N N 22 116.177 116.177 115.498 0.679 19033 2640 1 10 . 1 1 22 22 PHE HA H 22 4.665 4.665 4.880 -0.215 19033 2641 1 10 . 1 1 22 22 PHE CA C 22 53.807 53.807 57.254 -3.447 19033 2642 1 10 . 1 1 22 22 PHE CB C 22 38.324 38.324 39.404 -1.080 19033 2643 1 10 . 1 1 22 22 PHE H H 22 8.860 8.860 8.058 0.802 19033 2644 1 10 . 1 1 23 23 LEU N N 23 121.283 121.283 119.332 1.951 19033 2645 1 10 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.528 0.083 19033 2646 1 10 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.094 -3.141 19033 2647 1 10 . 1 1 23 23 LEU CB C 23 41.634 41.634 46.260 -4.626 19033 2648 1 10 . 1 1 23 23 LEU H H 23 8.681 8.681 8.718 -0.037 19033 2649 1 10 . 1 1 24 24 LYS N N 24 119.660 119.660 122.025 -2.365 19033 2650 1 10 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.882 -0.560 19033 2651 1 10 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.381 -1.953 19033 2652 1 10 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.130 -2.143 19033 2653 1 10 . 1 1 24 24 LYS H H 24 8.076 8.076 8.448 -0.372 19033 2654 1 10 . 1 1 25 25 GLY N N 25 115.402 115.402 115.221 0.181 19033 2655 1 10 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.724 -2.411 19033 2656 1 10 . 1 1 25 25 GLY H H 25 8.569 8.569 9.152 -0.583 19033 2657 1 10 . 1 1 26 26 ASP N N 26 122.287 122.287 121.287 1.000 19033 2658 1 10 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.743 -0.436 19033 2659 1 10 . 1 1 26 26 ASP CA C 26 53.273 53.273 54.625 -1.352 19033 2660 1 10 . 1 1 26 26 ASP CB C 26 37.932 37.932 42.838 -4.906 19033 2661 1 10 . 1 1 26 26 ASP H H 26 7.847 7.847 7.997 -0.150 19033 2662 1 10 . 1 1 27 27 MET N N 27 119.570 119.570 118.742 0.828 19033 2663 1 10 . 1 1 27 27 MET HA H 27 5.070 5.070 4.792 0.278 19033 2664 1 10 . 1 1 27 27 MET CA C 27 50.485 50.485 54.709 -4.223 19033 2665 1 10 . 1 1 27 27 MET CB C 27 32.786 32.786 35.747 -2.961 19033 2666 1 10 . 1 1 27 27 MET H H 27 8.117 8.117 7.946 0.171 19033 2667 1 10 . 1 1 28 28 PHE N N 28 116.911 116.911 120.169 -3.258 19033 2668 1 10 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.629 0.030 19033 2669 1 10 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.562 -3.325 19033 2670 1 10 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.525 -4.398 19033 2671 1 10 . 1 1 28 28 PHE H H 28 8.909 8.909 8.579 0.330 19033 2672 1 10 . 1 1 29 29 ILE N N 29 118.126 118.126 116.558 1.568 19033 2673 1 10 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.604 -0.050 19033 2674 1 10 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.781 -3.233 19033 2675 1 10 . 1 1 29 29 ILE CB C 29 37.618 37.618 40.672 -3.054 19033 2676 1 10 . 1 1 29 29 ILE H H 29 8.060 8.060 8.171 -0.111 19033 2677 1 10 . 1 1 30 30 VAL N N 30 125.411 125.411 126.410 -0.999 19033 2678 1 10 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.956 -0.092 19033 2679 1 10 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.443 -3.569 19033 2680 1 10 . 1 1 30 30 VAL CB C 30 29.863 29.863 30.365 -0.502 19033 2681 1 10 . 1 1 30 30 VAL H H 30 8.331 8.331 8.477 -0.146 19033 2682 1 10 . 1 1 31 31 HIS N N 31 127.208 127.208 128.610 -1.402 19033 2683 1 10 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.756 -0.058 19033 2684 1 10 . 1 1 31 31 HIS CA C 31 54.672 54.672 57.352 -2.680 19033 2685 1 10 . 1 1 31 31 HIS CB C 31 28.040 28.040 32.029 -3.989 19033 2686 1 10 . 1 1 31 31 HIS H H 31 9.289 9.289 8.955 0.334 19033 2687 1 10 . 1 1 32 32 ASN N N 32 112.446 112.446 116.595 -4.149 19033 2688 1 10 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.955 -0.005 19033 2689 1 10 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.694 -2.022 19033 2690 1 10 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.456 -2.166 19033 2691 1 10 . 1 1 32 32 ASN H H 32 7.866 7.866 8.073 -0.207 19033 2692 1 10 . 1 1 33 33 GLU N N 33 123.553 123.553 119.807 3.746 19033 2693 1 10 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.644 -0.239 19033 2694 1 10 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.988 -1.884 19033 2695 1 10 . 1 1 33 33 GLU CB C 33 27.678 27.678 32.015 -4.337 19033 2696 1 10 . 1 1 33 33 GLU H H 33 8.723 8.723 8.675 0.048 19033 2697 1 10 . 1 1 34 34 LEU N N 34 125.739 125.739 124.975 0.764 19033 2698 1 10 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.716 -0.066 19033 2699 1 10 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.961 -2.617 19033 2700 1 10 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.759 -3.946 19033 2701 1 10 . 1 1 34 34 LEU H H 34 8.488 8.488 8.455 0.033 19033 2702 1 10 . 1 1 35 35 GLU N N 35 117.915 117.915 120.064 -2.149 19033 2703 1 10 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.562 -0.273 19033 2704 1 10 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.629 -2.197 19033 2705 1 10 . 1 1 35 35 GLU CB C 35 27.756 27.756 29.859 -2.103 19033 2706 1 10 . 1 1 35 35 GLU H H 35 8.174 8.174 8.629 -0.455 19033 2707 1 10 . 1 1 36 36 ASP N N 36 116.640 116.640 119.595 -2.955 19033 2708 1 10 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.846 -0.483 19033 2709 1 10 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.823 -2.431 19033 2710 1 10 . 1 1 36 36 ASP CB C 36 37.268 37.268 41.678 -4.410 19033 2711 1 10 . 1 1 36 36 ASP H H 36 8.755 8.755 8.565 0.190 19033 2712 1 10 . 1 1 37 37 GLY N N 37 104.775 104.775 107.815 -3.040 19033 2713 1 10 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.270 -2.204 19033 2714 1 10 . 1 1 37 37 GLY H H 37 8.235 8.235 8.349 -0.114 19033 2715 1 10 . 1 1 38 38 TRP N N 38 119.789 119.789 120.473 -0.684 19033 2716 1 10 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.402 -0.450 19033 2717 1 10 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.825 -1.136 19033 2718 1 10 . 1 1 38 38 TRP CB C 38 28.348 28.348 31.703 -3.354 19033 2719 1 10 . 1 1 38 38 TRP H H 38 7.331 7.331 7.703 -0.372 19033 2720 1 10 . 1 1 39 39 MET N N 39 118.460 118.460 117.565 0.895 19033 2721 1 10 . 1 1 39 39 MET HA H 39 4.941 4.941 4.889 0.052 19033 2722 1 10 . 1 1 39 39 MET CA C 39 52.194 52.194 54.691 -2.497 19033 2723 1 10 . 1 1 39 39 MET CB C 39 35.101 35.101 37.442 -2.341 19033 2724 1 10 . 1 1 39 39 MET H H 39 9.330 9.330 9.110 0.220 19033 2725 1 10 . 1 1 40 40 TRP N N 40 123.201 123.201 125.515 -2.314 19033 2726 1 10 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.254 -0.186 19033 2727 1 10 . 1 1 40 40 TRP CA C 40 54.321 54.321 57.756 -3.435 19033 2728 1 10 . 1 1 40 40 TRP CB C 40 27.857 27.857 31.462 -3.605 19033 2729 1 10 . 1 1 40 40 TRP H H 40 8.777 8.777 8.699 0.078 19033 2730 1 10 . 1 1 41 41 VAL N N 41 120.754 120.754 118.102 2.652 19033 2731 1 10 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.388 0.059 19033 2732 1 10 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.315 -2.604 19033 2733 1 10 . 1 1 41 41 VAL CB C 41 34.428 34.428 34.649 -0.221 19033 2734 1 10 . 1 1 41 41 VAL H H 41 8.755 8.755 8.439 0.316 19033 2735 1 10 . 1 1 42 42 THR N N 42 112.967 112.967 113.882 -0.915 19033 2736 1 10 . 1 1 42 42 THR HA H 42 4.999 4.999 4.923 0.076 19033 2737 1 10 . 1 1 42 42 THR CA C 42 59.763 59.763 61.290 -1.527 19033 2738 1 10 . 1 1 42 42 THR CB C 42 68.696 68.696 72.344 -3.648 19033 2739 1 10 . 1 1 42 42 THR H H 42 8.142 8.142 8.225 -0.083 19033 2740 1 10 . 1 1 43 43 ASN N N 43 124.680 124.680 122.672 2.008 19033 2741 1 10 . 1 1 43 43 ASN HA H 43 4.409 4.409 4.771 -0.362 19033 2742 1 10 . 1 1 43 43 ASN CA C 43 50.340 50.340 52.267 -1.927 19033 2743 1 10 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.707 -2.921 19033 2744 1 10 . 1 1 43 43 ASN H H 43 8.848 8.848 8.813 0.035 19033 2745 1 10 . 1 1 44 44 LEU N N 44 126.753 126.753 125.658 1.095 19033 2746 1 10 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.073 -0.024 19033 2747 1 10 . 1 1 44 44 LEU CA C 44 54.255 54.255 57.041 -2.786 19033 2748 1 10 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.060 -2.413 19033 2749 1 10 . 1 1 44 44 LEU H H 44 8.841 8.841 7.831 1.010 19033 2750 1 10 . 1 1 45 45 ARG N N 45 119.154 119.154 116.870 2.284 19033 2751 1 10 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.189 -0.034 19033 2752 1 10 . 1 1 45 45 ARG CA C 45 56.319 56.319 57.747 -1.428 19033 2753 1 10 . 1 1 45 45 ARG CB C 45 27.552 27.552 30.341 -2.789 19033 2754 1 10 . 1 1 45 45 ARG H H 45 8.452 8.452 7.977 0.475 19033 2755 1 10 . 1 1 46 46 THR N N 46 105.128 105.128 111.100 -5.972 19033 2756 1 10 . 1 1 46 46 THR HA H 46 4.180 4.180 4.323 -0.143 19033 2757 1 10 . 1 1 46 46 THR CA C 46 58.368 58.368 62.381 -4.013 19033 2758 1 10 . 1 1 46 46 THR CB C 46 67.991 67.991 69.673 -1.682 19033 2759 1 10 . 1 1 46 46 THR H H 46 6.842 6.842 7.876 -1.034 19033 2760 1 10 . 1 1 47 47 ASP N N 47 120.147 120.147 121.214 -1.067 19033 2761 1 10 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.329 -0.056 19033 2762 1 10 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.637 -2.044 19033 2763 1 10 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.249 -2.501 19033 2764 1 10 . 1 1 47 47 ASP H H 47 8.650 8.650 8.125 0.525 19033 2765 1 10 . 1 1 48 48 GLU N N 48 117.574 117.574 119.635 -2.061 19033 2766 1 10 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.269 0.025 19033 2767 1 10 . 1 1 48 48 GLU CA C 48 53.743 53.743 56.750 -3.007 19033 2768 1 10 . 1 1 48 48 GLU CB C 48 29.503 29.503 29.570 -0.067 19033 2769 1 10 . 1 1 48 48 GLU H H 48 7.454 7.454 7.789 -0.335 19033 2770 1 10 . 1 1 49 49 GLN N N 49 119.154 119.154 124.758 -5.604 19033 2771 1 10 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.551 1.098 19033 2772 1 10 . 1 1 49 49 GLN CA C 49 50.614 50.614 56.212 -5.598 19033 2773 1 10 . 1 1 49 49 GLN CB C 49 29.447 29.447 30.258 -0.811 19033 2774 1 10 . 1 1 49 49 GLN H H 49 8.314 8.314 8.111 0.203 19033 2775 1 10 . 1 1 50 50 GLY N N 50 108.506 108.506 107.510 0.996 19033 2776 1 10 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.250 -1.995 19033 2777 1 10 . 1 1 50 50 GLY H H 50 7.795 7.795 7.344 0.451 19033 2778 1 10 . 1 1 51 51 LEU N N 51 119.484 119.484 120.927 -1.443 19033 2779 1 10 . 1 1 51 51 LEU HA H 51 5.378 5.378 4.991 0.387 19033 2780 1 10 . 1 1 51 51 LEU CA C 51 51.274 51.274 54.346 -3.071 19033 2781 1 10 . 1 1 51 51 LEU CB C 51 43.574 43.574 43.511 0.063 19033 2782 1 10 . 1 1 51 51 LEU H H 51 7.748 7.748 7.943 -0.195 19033 2783 1 10 . 1 1 52 52 ILE N N 52 114.127 114.127 116.969 -2.842 19033 2784 1 10 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.560 0.085 19033 2785 1 10 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.144 -1.804 19033 2786 1 10 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.080 -1.174 19033 2787 1 10 . 1 1 52 52 ILE H H 52 8.802 8.802 8.804 -0.002 19033 2788 1 10 . 1 1 53 53 VAL N N 53 120.370 120.370 117.022 3.348 19033 2789 1 10 . 1 1 53 53 VAL HA H 53 4.018 4.018 4.160 -0.142 19033 2790 1 10 . 1 1 53 53 VAL CA C 53 56.467 56.467 60.354 -3.887 19033 2791 1 10 . 1 1 53 53 VAL CB C 53 30.327 30.327 32.395 -2.068 19033 2792 1 10 . 1 1 53 53 VAL H H 53 7.495 7.495 7.764 -0.269 19033 2793 1 10 . 1 1 54 54 GLU N N 54 122.759 122.759 121.635 1.124 19033 2794 1 10 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.821 -0.231 19033 2795 1 10 . 1 1 54 54 GLU CA C 54 55.564 55.564 59.228 -3.664 19033 2796 1 10 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.140 -2.714 19033 2797 1 10 . 1 1 54 54 GLU H H 54 8.104 8.104 8.043 0.061 19033 2798 1 10 . 1 1 55 55 ASP N N 55 114.708 114.708 118.750 -4.042 19033 2799 1 10 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.395 -0.191 19033 2800 1 10 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.320 -3.034 19033 2801 1 10 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.563 -2.448 19033 2802 1 10 . 1 1 55 55 ASP H H 55 7.394 7.394 8.366 -0.972 19033 2803 1 10 . 1 1 56 56 LEU N N 56 116.100 116.100 116.791 -0.691 19033 2804 1 10 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.684 -0.286 19033 2805 1 10 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.246 -2.347 19033 2806 1 10 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.475 -3.911 19033 2807 1 10 . 1 1 56 56 LEU H H 56 7.121 7.121 7.290 -0.169 19033 2808 1 10 . 1 1 57 57 VAL N N 57 109.850 109.850 114.854 -5.004 19033 2809 1 10 . 1 1 57 57 VAL HA H 57 5.381 5.381 4.962 0.419 19033 2810 1 10 . 1 1 57 57 VAL CA C 57 55.560 55.560 59.095 -3.535 19033 2811 1 10 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.523 -1.780 19033 2812 1 10 . 1 1 57 57 VAL H H 57 7.438 7.438 7.609 -0.171 19033 2813 1 10 . 1 1 58 58 GLU N N 58 116.558 116.558 120.238 -3.680 19033 2814 1 10 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.649 0.186 19033 2815 1 10 . 1 1 58 58 GLU CA C 58 50.156 50.156 54.031 -3.875 19033 2816 1 10 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.642 -2.288 19033 2817 1 10 . 1 1 58 58 GLU H H 58 8.886 8.886 8.969 -0.083 19033 2818 1 10 . 1 1 59 59 GLU N N 59 121.900 121.900 122.809 -0.909 19033 2819 1 10 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.254 -0.025 19033 2820 1 10 . 1 1 59 59 GLU CA C 59 54.417 54.417 56.503 -2.086 19033 2821 1 10 . 1 1 59 59 GLU CB C 59 27.517 27.517 29.850 -2.333 19033 2822 1 10 . 1 1 59 59 GLU H H 59 8.659 8.659 8.732 -0.073 19033 2823 1 10 . 1 1 60 60 VAL N N 60 122.505 122.505 126.133 -3.628 19033 2824 1 10 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.458 -0.371 19033 2825 1 10 . 1 1 60 60 VAL CA C 60 59.466 59.466 59.979 -0.513 19033 2826 1 10 . 1 1 60 60 VAL CB C 60 30.306 30.306 35.113 -4.807 19033 2827 1 10 . 1 1 60 60 VAL H H 60 8.069 8.069 8.264 -0.195 19033 2828 1 10 . 1 1 61 61 GLY N N 61 112.799 112.799 111.005 1.794 19033 2829 1 10 . 1 1 61 61 GLY CA C 61 42.709 42.709 45.451 -2.742 19033 2830 1 10 . 1 1 61 61 GLY H H 61 8.383 8.383 8.638 -0.255 19033 2831 1 11 . 1 1 3 3 ARG N N 3 123.172 123.172 123.166 0.006 19033 2832 1 11 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.575 -0.277 19033 2833 1 11 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.417 -0.240 19033 2834 1 11 . 1 1 3 3 ARG CB C 3 29.313 29.313 34.089 -4.776 19033 2835 1 11 . 1 1 3 3 ARG H H 3 8.600 8.600 8.503 0.097 19033 2836 1 11 . 1 1 4 4 ARG N N 4 122.811 122.811 120.323 2.488 19033 2837 1 11 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.884 0.561 19033 2838 1 11 . 1 1 4 4 ARG CA C 4 51.948 51.948 55.277 -3.329 19033 2839 1 11 . 1 1 4 4 ARG CB C 4 30.814 30.814 33.724 -2.910 19033 2840 1 11 . 1 1 4 4 ARG H H 4 8.458 8.458 8.689 -0.231 19033 2841 1 11 . 1 1 5 5 VAL N N 5 112.133 112.133 117.100 -4.967 19033 2842 1 11 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.002 0.082 19033 2843 1 11 . 1 1 5 5 VAL CA C 5 55.894 55.894 58.938 -3.044 19033 2844 1 11 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.002 -1.388 19033 2845 1 11 . 1 1 5 5 VAL H H 5 8.173 8.173 8.063 0.110 19033 2846 1 11 . 1 1 6 6 ARG N N 6 120.981 120.981 122.220 -1.239 19033 2847 1 11 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.642 0.973 19033 2848 1 11 . 1 1 6 6 ARG CA C 6 50.883 50.883 53.418 -2.535 19033 2849 1 11 . 1 1 6 6 ARG CB C 6 32.664 32.664 33.024 -0.360 19033 2850 1 11 . 1 1 6 6 ARG H H 6 9.102 9.102 8.586 0.516 19033 2851 1 11 . 1 1 7 7 ALA N N 7 127.309 127.309 129.650 -2.341 19033 2852 1 11 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.724 0.101 19033 2853 1 11 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.547 -1.537 19033 2854 1 11 . 1 1 7 7 ALA CB C 7 18.560 18.560 19.970 -1.410 19033 2855 1 11 . 1 1 7 7 ALA H H 7 9.300 9.300 8.704 0.596 19033 2856 1 11 . 1 1 8 8 ILE N N 8 119.944 119.944 119.103 0.841 19033 2857 1 11 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.481 -0.188 19033 2858 1 11 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.412 -1.339 19033 2859 1 11 . 1 1 8 8 ILE CB C 8 36.125 36.125 37.968 -1.843 19033 2860 1 11 . 1 1 8 8 ILE H H 8 9.095 9.095 8.523 0.572 19033 2861 1 11 . 1 1 9 9 LEU N N 9 123.267 123.267 119.817 3.450 19033 2862 1 11 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.963 -0.414 19033 2863 1 11 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.112 -2.176 19033 2864 1 11 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.623 -0.741 19033 2865 1 11 . 1 1 9 9 LEU H H 9 7.738 7.738 7.542 0.196 19033 2866 1 11 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.643 -0.109 19033 2867 1 11 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.377 -3.231 19033 2868 1 11 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.810 -2.445 19033 2869 1 11 . 1 1 11 11 TYR N N 11 117.178 117.178 118.158 -0.980 19033 2870 1 11 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.509 -0.439 19033 2871 1 11 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.563 -1.260 19033 2872 1 11 . 1 1 11 11 TYR CB C 11 39.864 39.864 41.859 -1.995 19033 2873 1 11 . 1 1 11 11 TYR H H 11 7.754 7.754 8.398 -0.644 19033 2874 1 11 . 1 1 12 12 THR N N 12 125.004 125.004 119.649 5.355 19033 2875 1 11 . 1 1 12 12 THR HA H 12 4.224 4.224 4.339 -0.115 19033 2876 1 11 . 1 1 12 12 THR CA C 12 57.833 57.833 60.882 -3.049 19033 2877 1 11 . 1 1 12 12 THR CB C 12 66.962 66.962 68.645 -1.683 19033 2878 1 11 . 1 1 12 12 THR H H 12 7.149 7.149 7.085 0.064 19033 2879 1 11 . 1 1 13 13 LYS N N 13 123.175 123.175 126.389 -3.214 19033 2880 1 11 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.578 -0.430 19033 2881 1 11 . 1 1 13 13 LYS CA C 13 52.749 52.749 56.125 -3.376 19033 2882 1 11 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.228 -2.878 19033 2883 1 11 . 1 1 13 13 LYS H H 13 8.121 8.121 8.420 -0.299 19033 2884 1 11 . 1 1 14 14 VAL N N 14 126.091 126.091 122.084 4.007 19033 2885 1 11 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.227 -0.179 19033 2886 1 11 . 1 1 14 14 VAL CA C 14 58.059 58.059 60.156 -2.096 19033 2887 1 11 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.553 -2.159 19033 2888 1 11 . 1 1 14 14 VAL H H 14 8.061 8.061 9.024 -0.963 19033 2889 1 11 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.468 -0.348 19033 2890 1 11 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.625 -2.575 19033 2891 1 11 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.056 -2.361 19033 2892 1 11 . 1 1 16 16 ASP N N 16 115.188 115.188 118.088 -2.900 19033 2893 1 11 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.388 -0.101 19033 2894 1 11 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.087 -1.898 19033 2895 1 11 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.459 -4.148 19033 2896 1 11 . 1 1 16 16 ASP H H 16 8.808 8.808 8.746 0.062 19033 2897 1 11 . 1 1 17 17 THR N N 17 106.185 106.185 108.945 -2.760 19033 2898 1 11 . 1 1 17 17 THR HA H 17 4.704 4.704 4.575 0.129 19033 2899 1 11 . 1 1 17 17 THR CA C 17 58.069 58.069 59.820 -1.751 19033 2900 1 11 . 1 1 17 17 THR CB C 17 70.764 70.764 71.324 -0.560 19033 2901 1 11 . 1 1 17 17 THR H H 17 7.264 7.264 7.465 -0.201 19033 2902 1 11 . 1 1 18 18 ASP N N 18 117.426 117.426 119.416 -1.990 19033 2903 1 11 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.650 0.313 19033 2904 1 11 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.033 -2.113 19033 2905 1 11 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.405 -2.346 19033 2906 1 11 . 1 1 18 18 ASP H H 18 8.855 8.855 8.628 0.227 19033 2907 1 11 . 1 1 19 19 GLU N N 19 119.666 119.666 119.188 0.478 19033 2908 1 11 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.444 0.250 19033 2909 1 11 . 1 1 19 19 GLU CA C 19 54.515 54.515 57.185 -2.670 19033 2910 1 11 . 1 1 19 19 GLU CB C 19 29.535 29.535 30.694 -1.159 19033 2911 1 11 . 1 1 19 19 GLU H H 19 7.603 7.603 7.324 0.279 19033 2912 1 11 . 1 1 20 20 ILE N N 20 109.127 109.127 116.697 -7.570 19033 2913 1 11 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.627 0.226 19033 2914 1 11 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.234 -2.977 19033 2915 1 11 . 1 1 20 20 ILE CB C 20 38.401 38.401 41.450 -3.050 19033 2916 1 11 . 1 1 20 20 ILE H H 20 6.909 6.909 7.913 -1.004 19033 2917 1 11 . 1 1 21 21 SER N N 21 117.834 117.834 118.351 -0.517 19033 2918 1 11 . 1 1 21 21 SER HA H 21 4.796 4.796 4.399 0.397 19033 2919 1 11 . 1 1 21 21 SER CA C 21 54.907 54.907 58.729 -3.822 19033 2920 1 11 . 1 1 21 21 SER CB C 21 61.426 61.426 64.072 -2.646 19033 2921 1 11 . 1 1 21 21 SER H H 21 8.738 8.738 8.210 0.528 19033 2922 1 11 . 1 1 22 22 PHE N N 22 116.177 116.177 117.973 -1.796 19033 2923 1 11 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.098 -0.433 19033 2924 1 11 . 1 1 22 22 PHE CA C 22 53.807 53.807 55.985 -2.178 19033 2925 1 11 . 1 1 22 22 PHE CB C 22 38.324 38.324 41.345 -3.021 19033 2926 1 11 . 1 1 22 22 PHE H H 22 8.860 8.860 7.675 1.185 19033 2927 1 11 . 1 1 23 23 LEU N N 23 121.283 121.283 120.304 0.979 19033 2928 1 11 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.847 -0.236 19033 2929 1 11 . 1 1 23 23 LEU CA C 23 49.953 49.953 52.604 -2.651 19033 2930 1 11 . 1 1 23 23 LEU CB C 23 41.634 41.634 45.350 -3.716 19033 2931 1 11 . 1 1 23 23 LEU H H 23 8.681 8.681 8.995 -0.314 19033 2932 1 11 . 1 1 24 24 LYS N N 24 119.660 119.660 121.079 -1.419 19033 2933 1 11 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.932 -0.610 19033 2934 1 11 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.409 -1.981 19033 2935 1 11 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.433 -2.446 19033 2936 1 11 . 1 1 24 24 LYS H H 24 8.076 8.076 8.490 -0.414 19033 2937 1 11 . 1 1 25 25 GLY N N 25 115.402 115.402 115.252 0.150 19033 2938 1 11 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.836 -2.522 19033 2939 1 11 . 1 1 25 25 GLY H H 25 8.569 8.569 8.939 -0.370 19033 2940 1 11 . 1 1 26 26 ASP N N 26 122.287 122.287 121.851 0.436 19033 2941 1 11 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.553 -0.246 19033 2942 1 11 . 1 1 26 26 ASP CA C 26 53.273 53.273 55.248 -1.975 19033 2943 1 11 . 1 1 26 26 ASP CB C 26 37.932 37.932 41.715 -3.784 19033 2944 1 11 . 1 1 26 26 ASP H H 26 7.847 7.847 7.883 -0.036 19033 2945 1 11 . 1 1 27 27 MET N N 27 119.570 119.570 117.222 2.348 19033 2946 1 11 . 1 1 27 27 MET HA H 27 5.070 5.070 4.578 0.492 19033 2947 1 11 . 1 1 27 27 MET CA C 27 50.485 50.485 54.661 -4.176 19033 2948 1 11 . 1 1 27 27 MET CB C 27 32.786 32.786 36.750 -3.964 19033 2949 1 11 . 1 1 27 27 MET H H 27 8.117 8.117 7.561 0.556 19033 2950 1 11 . 1 1 28 28 PHE N N 28 116.911 116.911 119.867 -2.956 19033 2951 1 11 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.823 -0.164 19033 2952 1 11 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.255 -3.018 19033 2953 1 11 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.492 -4.365 19033 2954 1 11 . 1 1 28 28 PHE H H 28 8.909 8.909 8.577 0.332 19033 2955 1 11 . 1 1 29 29 ILE N N 29 118.126 118.126 115.379 2.747 19033 2956 1 11 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.849 -0.295 19033 2957 1 11 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.556 -3.008 19033 2958 1 11 . 1 1 29 29 ILE CB C 29 37.618 37.618 41.303 -3.685 19033 2959 1 11 . 1 1 29 29 ILE H H 29 8.060 8.060 8.262 -0.202 19033 2960 1 11 . 1 1 30 30 VAL N N 30 125.411 125.411 125.518 -0.107 19033 2961 1 11 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.909 -0.045 19033 2962 1 11 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.922 -4.048 19033 2963 1 11 . 1 1 30 30 VAL CB C 30 29.863 29.863 32.014 -2.151 19033 2964 1 11 . 1 1 30 30 VAL H H 30 8.331 8.331 8.562 -0.231 19033 2965 1 11 . 1 1 31 31 HIS N N 31 127.208 127.208 127.950 -0.742 19033 2966 1 11 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.920 -0.222 19033 2967 1 11 . 1 1 31 31 HIS CA C 31 54.672 54.672 56.350 -1.678 19033 2968 1 11 . 1 1 31 31 HIS CB C 31 28.040 28.040 32.444 -4.404 19033 2969 1 11 . 1 1 31 31 HIS H H 31 9.289 9.289 8.908 0.381 19033 2970 1 11 . 1 1 32 32 ASN N N 32 112.446 112.446 117.472 -5.026 19033 2971 1 11 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.927 0.023 19033 2972 1 11 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.560 -1.889 19033 2973 1 11 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.045 -1.755 19033 2974 1 11 . 1 1 32 32 ASN H H 32 7.866 7.866 7.862 0.004 19033 2975 1 11 . 1 1 33 33 GLU N N 33 123.553 123.553 119.591 3.962 19033 2976 1 11 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.613 -0.208 19033 2977 1 11 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.922 -1.818 19033 2978 1 11 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.619 -3.941 19033 2979 1 11 . 1 1 33 33 GLU H H 33 8.723 8.723 8.623 0.100 19033 2980 1 11 . 1 1 34 34 LEU N N 34 125.739 125.739 126.020 -0.281 19033 2981 1 11 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.753 -0.103 19033 2982 1 11 . 1 1 34 34 LEU CA C 34 51.344 51.344 54.630 -3.286 19033 2983 1 11 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.839 -4.026 19033 2984 1 11 . 1 1 34 34 LEU H H 34 8.488 8.488 8.344 0.144 19033 2985 1 11 . 1 1 35 35 GLU N N 35 117.915 117.915 118.895 -0.980 19033 2986 1 11 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.483 -0.194 19033 2987 1 11 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.606 -2.174 19033 2988 1 11 . 1 1 35 35 GLU CB C 35 27.756 27.756 30.227 -2.471 19033 2989 1 11 . 1 1 35 35 GLU H H 35 8.174 8.174 8.624 -0.450 19033 2990 1 11 . 1 1 36 36 ASP N N 36 116.640 116.640 119.827 -3.187 19033 2991 1 11 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.841 -0.478 19033 2992 1 11 . 1 1 36 36 ASP CA C 36 52.392 52.392 53.618 -1.226 19033 2993 1 11 . 1 1 36 36 ASP CB C 36 37.268 37.268 41.310 -4.042 19033 2994 1 11 . 1 1 36 36 ASP H H 36 8.755 8.755 8.234 0.521 19033 2995 1 11 . 1 1 37 37 GLY N N 37 104.775 104.775 106.832 -2.057 19033 2996 1 11 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.291 -2.225 19033 2997 1 11 . 1 1 37 37 GLY H H 37 8.235 8.235 8.361 -0.126 19033 2998 1 11 . 1 1 38 38 TRP N N 38 119.789 119.789 119.342 0.447 19033 2999 1 11 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.343 -0.391 19033 3000 1 11 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.286 -0.598 19033 3001 1 11 . 1 1 38 38 TRP CB C 38 28.348 28.348 32.446 -4.098 19033 3002 1 11 . 1 1 38 38 TRP H H 38 7.331 7.331 7.651 -0.320 19033 3003 1 11 . 1 1 39 39 MET N N 39 118.460 118.460 117.887 0.573 19033 3004 1 11 . 1 1 39 39 MET HA H 39 4.941 4.941 5.058 -0.117 19033 3005 1 11 . 1 1 39 39 MET CA C 39 52.194 52.194 54.422 -2.228 19033 3006 1 11 . 1 1 39 39 MET CB C 39 35.101 35.101 37.119 -2.018 19033 3007 1 11 . 1 1 39 39 MET H H 39 9.330 9.330 8.831 0.499 19033 3008 1 11 . 1 1 40 40 TRP N N 40 123.201 123.201 126.957 -3.756 19033 3009 1 11 . 1 1 40 40 TRP HA H 40 5.068 5.068 4.918 0.150 19033 3010 1 11 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.245 -3.924 19033 3011 1 11 . 1 1 40 40 TRP CB C 40 27.857 27.857 30.224 -2.367 19033 3012 1 11 . 1 1 40 40 TRP H H 40 8.777 8.777 8.847 -0.070 19033 3013 1 11 . 1 1 41 41 VAL N N 41 120.754 120.754 119.898 0.856 19033 3014 1 11 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.536 -0.089 19033 3015 1 11 . 1 1 41 41 VAL CA C 41 56.711 56.711 58.907 -2.196 19033 3016 1 11 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.042 -0.614 19033 3017 1 11 . 1 1 41 41 VAL H H 41 8.755 8.755 8.707 0.048 19033 3018 1 11 . 1 1 42 42 THR N N 42 112.967 112.967 115.514 -2.547 19033 3019 1 11 . 1 1 42 42 THR HA H 42 4.999 4.999 4.867 0.132 19033 3020 1 11 . 1 1 42 42 THR CA C 42 59.763 59.763 62.045 -2.282 19033 3021 1 11 . 1 1 42 42 THR CB C 42 68.696 68.696 71.225 -2.529 19033 3022 1 11 . 1 1 42 42 THR H H 42 8.142 8.142 8.362 -0.220 19033 3023 1 11 . 1 1 43 43 ASN N N 43 124.680 124.680 124.454 0.226 19033 3024 1 11 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.408 -0.999 19033 3025 1 11 . 1 1 43 43 ASN CA C 43 50.340 50.340 51.869 -1.529 19033 3026 1 11 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.184 -2.398 19033 3027 1 11 . 1 1 43 43 ASN H H 43 8.848 8.848 9.118 -0.270 19033 3028 1 11 . 1 1 44 44 LEU N N 44 126.753 126.753 127.383 -0.630 19033 3029 1 11 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.307 -0.258 19033 3030 1 11 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.851 -2.596 19033 3031 1 11 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.275 -2.628 19033 3032 1 11 . 1 1 44 44 LEU H H 44 8.841 8.841 8.559 0.282 19033 3033 1 11 . 1 1 45 45 ARG N N 45 119.154 119.154 119.044 0.110 19033 3034 1 11 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.152 0.003 19033 3035 1 11 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.416 -2.097 19033 3036 1 11 . 1 1 45 45 ARG CB C 45 27.552 27.552 30.291 -2.739 19033 3037 1 11 . 1 1 45 45 ARG H H 45 8.452 8.452 8.240 0.212 19033 3038 1 11 . 1 1 46 46 THR N N 46 105.128 105.128 106.731 -1.603 19033 3039 1 11 . 1 1 46 46 THR HA H 46 4.180 4.180 4.475 -0.295 19033 3040 1 11 . 1 1 46 46 THR CA C 46 58.368 58.368 61.844 -3.476 19033 3041 1 11 . 1 1 46 46 THR CB C 46 67.991 67.991 71.211 -3.220 19033 3042 1 11 . 1 1 46 46 THR H H 46 6.842 6.842 7.644 -0.802 19033 3043 1 11 . 1 1 47 47 ASP N N 47 120.147 120.147 120.985 -0.838 19033 3044 1 11 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.367 -0.094 19033 3045 1 11 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.946 -2.353 19033 3046 1 11 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.062 -2.314 19033 3047 1 11 . 1 1 47 47 ASP H H 47 8.650 8.650 8.431 0.219 19033 3048 1 11 . 1 1 48 48 GLU N N 48 117.574 117.574 119.447 -1.873 19033 3049 1 11 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.169 0.125 19033 3050 1 11 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.286 -3.543 19033 3051 1 11 . 1 1 48 48 GLU CB C 48 29.503 29.503 30.183 -0.680 19033 3052 1 11 . 1 1 48 48 GLU H H 48 7.454 7.454 7.728 -0.274 19033 3053 1 11 . 1 1 49 49 GLN N N 49 119.154 119.154 122.183 -3.029 19033 3054 1 11 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.747 0.902 19033 3055 1 11 . 1 1 49 49 GLN CA C 49 50.614 50.614 55.630 -5.016 19033 3056 1 11 . 1 1 49 49 GLN CB C 49 29.447 29.447 31.125 -1.677 19033 3057 1 11 . 1 1 49 49 GLN H H 49 8.314 8.314 8.482 -0.168 19033 3058 1 11 . 1 1 50 50 GLY N N 50 108.506 108.506 106.247 2.259 19033 3059 1 11 . 1 1 50 50 GLY CA C 50 42.255 42.255 43.805 -1.550 19033 3060 1 11 . 1 1 50 50 GLY H H 50 7.795 7.795 7.830 -0.035 19033 3061 1 11 . 1 1 51 51 LEU N N 51 119.484 119.484 121.892 -2.408 19033 3062 1 11 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.099 0.279 19033 3063 1 11 . 1 1 51 51 LEU CA C 51 51.274 51.274 54.023 -2.749 19033 3064 1 11 . 1 1 51 51 LEU CB C 51 43.574 43.574 43.097 0.477 19033 3065 1 11 . 1 1 51 51 LEU H H 51 7.748 7.748 7.856 -0.108 19033 3066 1 11 . 1 1 52 52 ILE N N 52 114.127 114.127 118.425 -4.298 19033 3067 1 11 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.871 -0.226 19033 3068 1 11 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.749 -2.409 19033 3069 1 11 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.289 -1.383 19033 3070 1 11 . 1 1 52 52 ILE H H 52 8.802 8.802 8.302 0.500 19033 3071 1 11 . 1 1 53 53 VAL N N 53 120.370 120.370 123.387 -3.017 19033 3072 1 11 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.620 0.398 19033 3073 1 11 . 1 1 53 53 VAL CA C 53 56.467 56.467 60.269 -3.802 19033 3074 1 11 . 1 1 53 53 VAL CB C 53 30.327 30.327 33.023 -2.696 19033 3075 1 11 . 1 1 53 53 VAL H H 53 7.495 7.495 8.190 -0.695 19033 3076 1 11 . 1 1 54 54 GLU N N 54 122.759 122.759 127.190 -4.431 19033 3077 1 11 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.993 -0.403 19033 3078 1 11 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.430 -2.866 19033 3079 1 11 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.110 -2.684 19033 3080 1 11 . 1 1 54 54 GLU H H 54 8.104 8.104 8.412 -0.308 19033 3081 1 11 . 1 1 55 55 ASP N N 55 114.708 114.708 119.628 -4.920 19033 3082 1 11 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.436 -0.232 19033 3083 1 11 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.249 -2.963 19033 3084 1 11 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.822 -2.707 19033 3085 1 11 . 1 1 55 55 ASP H H 55 7.394 7.394 8.252 -0.858 19033 3086 1 11 . 1 1 56 56 LEU N N 56 116.100 116.100 119.239 -3.139 19033 3087 1 11 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.749 -0.351 19033 3088 1 11 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.280 -2.381 19033 3089 1 11 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.154 -3.590 19033 3090 1 11 . 1 1 56 56 LEU H H 56 7.121 7.121 7.423 -0.302 19033 3091 1 11 . 1 1 57 57 VAL N N 57 109.850 109.850 115.061 -5.211 19033 3092 1 11 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.090 0.291 19033 3093 1 11 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.266 -2.706 19033 3094 1 11 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.564 -1.820 19033 3095 1 11 . 1 1 57 57 VAL H H 57 7.438 7.438 7.362 0.076 19033 3096 1 11 . 1 1 58 58 GLU N N 58 116.558 116.558 118.229 -1.671 19033 3097 1 11 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.662 0.173 19033 3098 1 11 . 1 1 58 58 GLU CA C 58 50.156 50.156 54.242 -4.086 19033 3099 1 11 . 1 1 58 58 GLU CB C 58 30.354 30.354 31.980 -1.627 19033 3100 1 11 . 1 1 58 58 GLU H H 58 8.886 8.886 8.538 0.348 19033 3101 1 11 . 1 1 59 59 GLU N N 59 121.900 121.900 120.029 1.871 19033 3102 1 11 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.204 0.025 19033 3103 1 11 . 1 1 59 59 GLU CA C 59 54.417 54.417 55.803 -1.387 19033 3104 1 11 . 1 1 59 59 GLU CB C 59 27.517 27.517 27.411 0.106 19033 3105 1 11 . 1 1 59 59 GLU H H 59 8.659 8.659 8.898 -0.239 19033 3106 1 11 . 1 1 60 60 VAL N N 60 122.505 122.505 121.008 1.497 19033 3107 1 11 . 1 1 60 60 VAL HA H 60 4.087 4.087 3.773 0.314 19033 3108 1 11 . 1 1 60 60 VAL CA C 60 59.466 59.466 63.904 -4.438 19033 3109 1 11 . 1 1 60 60 VAL CB C 60 30.306 30.306 32.856 -2.550 19033 3110 1 11 . 1 1 60 60 VAL H H 60 8.069 8.069 7.592 0.477 19033 3111 1 11 . 1 1 61 61 GLY N N 61 112.799 112.799 114.602 -1.803 19033 3112 1 11 . 1 1 61 61 GLY CA C 61 42.709 42.709 45.495 -2.786 19033 3113 1 11 . 1 1 61 61 GLY H H 61 8.383 8.383 8.712 -0.329 19033 3114 1 12 . 1 1 3 3 ARG N N 3 123.172 123.172 119.040 4.132 19033 3115 1 12 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.651 -0.353 19033 3116 1 12 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.349 -0.172 19033 3117 1 12 . 1 1 3 3 ARG CB C 3 29.313 29.313 31.008 -1.695 19033 3118 1 12 . 1 1 3 3 ARG H H 3 8.600 8.600 8.192 0.408 19033 3119 1 12 . 1 1 4 4 ARG N N 4 122.811 122.811 118.550 4.261 19033 3120 1 12 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.847 0.598 19033 3121 1 12 . 1 1 4 4 ARG CA C 4 51.948 51.948 55.937 -3.989 19033 3122 1 12 . 1 1 4 4 ARG CB C 4 30.814 30.814 32.072 -1.258 19033 3123 1 12 . 1 1 4 4 ARG H H 4 8.458 8.458 8.696 -0.238 19033 3124 1 12 . 1 1 5 5 VAL N N 5 112.133 112.133 119.048 -6.915 19033 3125 1 12 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.051 0.033 19033 3126 1 12 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.420 -3.526 19033 3127 1 12 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.354 -1.740 19033 3128 1 12 . 1 1 5 5 VAL H H 5 8.173 8.173 7.918 0.255 19033 3129 1 12 . 1 1 6 6 ARG N N 6 120.981 120.981 120.278 0.703 19033 3130 1 12 . 1 1 6 6 ARG HA H 6 5.615 5.615 5.042 0.573 19033 3131 1 12 . 1 1 6 6 ARG CA C 6 50.883 50.883 54.261 -3.378 19033 3132 1 12 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.485 -1.821 19033 3133 1 12 . 1 1 6 6 ARG H H 6 9.102 9.102 8.577 0.525 19033 3134 1 12 . 1 1 7 7 ALA N N 7 127.309 127.309 128.866 -1.557 19033 3135 1 12 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.524 0.301 19033 3136 1 12 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.341 -1.331 19033 3137 1 12 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.613 -2.053 19033 3138 1 12 . 1 1 7 7 ALA H H 7 9.300 9.300 8.969 0.331 19033 3139 1 12 . 1 1 8 8 ILE N N 8 119.944 119.944 118.275 1.669 19033 3140 1 12 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.506 -0.213 19033 3141 1 12 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.390 -1.317 19033 3142 1 12 . 1 1 8 8 ILE CB C 8 36.125 36.125 37.570 -1.445 19033 3143 1 12 . 1 1 8 8 ILE H H 8 9.095 9.095 8.132 0.963 19033 3144 1 12 . 1 1 9 9 LEU N N 9 123.267 123.267 121.012 2.255 19033 3145 1 12 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.962 -0.413 19033 3146 1 12 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.210 -2.274 19033 3147 1 12 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.444 -0.562 19033 3148 1 12 . 1 1 9 9 LEU H H 9 7.738 7.738 7.707 0.031 19033 3149 1 12 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.899 -0.365 19033 3150 1 12 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.470 -3.324 19033 3151 1 12 . 1 1 10 10 PRO CB C 10 30.365 30.365 33.078 -2.713 19033 3152 1 12 . 1 1 11 11 TYR N N 11 117.178 117.178 120.286 -3.108 19033 3153 1 12 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.689 -0.619 19033 3154 1 12 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.839 -1.536 19033 3155 1 12 . 1 1 11 11 TYR CB C 11 39.864 39.864 41.485 -1.621 19033 3156 1 12 . 1 1 11 11 TYR H H 11 7.754 7.754 7.960 -0.205 19033 3157 1 12 . 1 1 12 12 THR N N 12 125.004 125.004 118.552 6.452 19033 3158 1 12 . 1 1 12 12 THR HA H 12 4.224 4.224 4.520 -0.296 19033 3159 1 12 . 1 1 12 12 THR CA C 12 57.833 57.833 60.997 -3.164 19033 3160 1 12 . 1 1 12 12 THR CB C 12 66.962 66.962 69.548 -2.586 19033 3161 1 12 . 1 1 12 12 THR H H 12 7.149 7.149 6.986 0.163 19033 3162 1 12 . 1 1 13 13 LYS N N 13 123.175 123.175 124.838 -1.663 19033 3163 1 12 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.385 -0.237 19033 3164 1 12 . 1 1 13 13 LYS CA C 13 52.749 52.749 56.314 -3.565 19033 3165 1 12 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.067 -2.717 19033 3166 1 12 . 1 1 13 13 LYS H H 13 8.121 8.121 8.158 -0.037 19033 3167 1 12 . 1 1 14 14 VAL N N 14 126.091 126.091 122.100 3.991 19033 3168 1 12 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.203 -0.155 19033 3169 1 12 . 1 1 14 14 VAL CA C 14 58.059 58.059 60.388 -2.329 19033 3170 1 12 . 1 1 14 14 VAL CB C 14 29.394 29.394 32.766 -3.372 19033 3171 1 12 . 1 1 14 14 VAL H H 14 8.061 8.061 8.839 -0.778 19033 3172 1 12 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.494 -0.374 19033 3173 1 12 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.914 -2.864 19033 3174 1 12 . 1 1 15 15 PRO CB C 15 29.695 29.695 31.714 -2.019 19033 3175 1 12 . 1 1 16 16 ASP N N 16 115.188 115.188 119.934 -4.746 19033 3176 1 12 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.383 -0.096 19033 3177 1 12 . 1 1 16 16 ASP CA C 16 53.189 53.189 54.922 -1.733 19033 3178 1 12 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.504 -4.193 19033 3179 1 12 . 1 1 16 16 ASP H H 16 8.808 8.808 8.758 0.050 19033 3180 1 12 . 1 1 17 17 THR N N 17 106.185 106.185 109.153 -2.968 19033 3181 1 12 . 1 1 17 17 THR HA H 17 4.704 4.704 4.583 0.121 19033 3182 1 12 . 1 1 17 17 THR CA C 17 58.069 58.069 60.812 -2.743 19033 3183 1 12 . 1 1 17 17 THR CB C 17 70.764 70.764 70.850 -0.086 19033 3184 1 12 . 1 1 17 17 THR H H 17 7.264 7.264 7.774 -0.510 19033 3185 1 12 . 1 1 18 18 ASP N N 18 117.426 117.426 119.963 -2.537 19033 3186 1 12 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.668 0.295 19033 3187 1 12 . 1 1 18 18 ASP CA C 18 51.920 51.920 53.991 -2.071 19033 3188 1 12 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.523 -2.464 19033 3189 1 12 . 1 1 18 18 ASP H H 18 8.855 8.855 8.685 0.170 19033 3190 1 12 . 1 1 19 19 GLU N N 19 119.666 119.666 119.476 0.190 19033 3191 1 12 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.482 0.212 19033 3192 1 12 . 1 1 19 19 GLU CA C 19 54.515 54.515 57.417 -2.902 19033 3193 1 12 . 1 1 19 19 GLU CB C 19 29.535 29.535 30.879 -1.344 19033 3194 1 12 . 1 1 19 19 GLU H H 19 7.603 7.603 7.410 0.193 19033 3195 1 12 . 1 1 20 20 ILE N N 20 109.127 109.127 115.408 -6.281 19033 3196 1 12 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.579 0.274 19033 3197 1 12 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.943 -3.686 19033 3198 1 12 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.169 -1.768 19033 3199 1 12 . 1 1 20 20 ILE H H 20 6.909 6.909 7.812 -0.903 19033 3200 1 12 . 1 1 21 21 SER N N 21 117.834 117.834 122.513 -4.679 19033 3201 1 12 . 1 1 21 21 SER HA H 21 4.796 4.796 4.247 0.549 19033 3202 1 12 . 1 1 21 21 SER CA C 21 54.907 54.907 59.252 -4.345 19033 3203 1 12 . 1 1 21 21 SER CB C 21 61.426 61.426 63.518 -2.092 19033 3204 1 12 . 1 1 21 21 SER H H 21 8.738 8.738 8.307 0.431 19033 3205 1 12 . 1 1 22 22 PHE N N 22 116.177 116.177 118.710 -2.533 19033 3206 1 12 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.012 -0.347 19033 3207 1 12 . 1 1 22 22 PHE CA C 22 53.807 53.807 55.339 -1.532 19033 3208 1 12 . 1 1 22 22 PHE CB C 22 38.324 38.324 41.383 -3.059 19033 3209 1 12 . 1 1 22 22 PHE H H 22 8.860 8.860 7.360 1.500 19033 3210 1 12 . 1 1 23 23 LEU N N 23 121.283 121.283 120.191 1.092 19033 3211 1 12 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.913 -0.302 19033 3212 1 12 . 1 1 23 23 LEU CA C 23 49.953 49.953 52.941 -2.989 19033 3213 1 12 . 1 1 23 23 LEU CB C 23 41.634 41.634 45.574 -3.940 19033 3214 1 12 . 1 1 23 23 LEU H H 23 8.681 8.681 9.527 -0.846 19033 3215 1 12 . 1 1 24 24 LYS N N 24 119.660 119.660 120.639 -0.979 19033 3216 1 12 . 1 1 24 24 LYS HA H 24 3.322 3.322 4.063 -0.741 19033 3217 1 12 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.469 -2.042 19033 3218 1 12 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.569 -2.582 19033 3219 1 12 . 1 1 24 24 LYS H H 24 8.076 8.076 8.439 -0.363 19033 3220 1 12 . 1 1 25 25 GLY N N 25 115.402 115.402 114.859 0.543 19033 3221 1 12 . 1 1 25 25 GLY CA C 25 42.313 42.313 45.021 -2.708 19033 3222 1 12 . 1 1 25 25 GLY H H 25 8.569 8.569 9.007 -0.438 19033 3223 1 12 . 1 1 26 26 ASP N N 26 122.287 122.287 121.284 1.003 19033 3224 1 12 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.708 -0.401 19033 3225 1 12 . 1 1 26 26 ASP CA C 26 53.273 53.273 54.362 -1.089 19033 3226 1 12 . 1 1 26 26 ASP CB C 26 37.932 37.932 42.112 -4.180 19033 3227 1 12 . 1 1 26 26 ASP H H 26 7.847 7.847 7.691 0.156 19033 3228 1 12 . 1 1 27 27 MET N N 27 119.570 119.570 116.828 2.742 19033 3229 1 12 . 1 1 27 27 MET HA H 27 5.070 5.070 4.778 0.292 19033 3230 1 12 . 1 1 27 27 MET CA C 27 50.485 50.485 54.787 -4.302 19033 3231 1 12 . 1 1 27 27 MET CB C 27 32.786 32.786 37.113 -4.327 19033 3232 1 12 . 1 1 27 27 MET H H 27 8.117 8.117 7.533 0.584 19033 3233 1 12 . 1 1 28 28 PHE N N 28 116.911 116.911 118.539 -1.628 19033 3234 1 12 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.858 -0.199 19033 3235 1 12 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.827 -3.590 19033 3236 1 12 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.782 -4.655 19033 3237 1 12 . 1 1 28 28 PHE H H 28 8.909 8.909 8.823 0.086 19033 3238 1 12 . 1 1 29 29 ILE N N 29 118.126 118.126 115.486 2.640 19033 3239 1 12 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.947 -0.393 19033 3240 1 12 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.473 -2.925 19033 3241 1 12 . 1 1 29 29 ILE CB C 29 37.618 37.618 41.448 -3.830 19033 3242 1 12 . 1 1 29 29 ILE H H 29 8.060 8.060 8.224 -0.164 19033 3243 1 12 . 1 1 30 30 VAL N N 30 125.411 125.411 124.772 0.639 19033 3244 1 12 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.982 -0.118 19033 3245 1 12 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.927 -4.053 19033 3246 1 12 . 1 1 30 30 VAL CB C 30 29.863 29.863 31.411 -1.548 19033 3247 1 12 . 1 1 30 30 VAL H H 30 8.331 8.331 8.646 -0.315 19033 3248 1 12 . 1 1 31 31 HIS N N 31 127.208 127.208 126.982 0.226 19033 3249 1 12 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.879 -0.181 19033 3250 1 12 . 1 1 31 31 HIS CA C 31 54.672 54.672 56.804 -2.132 19033 3251 1 12 . 1 1 31 31 HIS CB C 31 28.040 28.040 33.174 -5.134 19033 3252 1 12 . 1 1 31 31 HIS H H 31 9.289 9.289 8.973 0.316 19033 3253 1 12 . 1 1 32 32 ASN N N 32 112.446 112.446 117.172 -4.726 19033 3254 1 12 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.935 0.015 19033 3255 1 12 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.994 -2.322 19033 3256 1 12 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.088 -1.798 19033 3257 1 12 . 1 1 32 32 ASN H H 32 7.866 7.866 7.874 -0.008 19033 3258 1 12 . 1 1 33 33 GLU N N 33 123.553 123.553 119.653 3.900 19033 3259 1 12 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.631 -0.226 19033 3260 1 12 . 1 1 33 33 GLU CA C 33 54.104 54.104 56.024 -1.920 19033 3261 1 12 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.639 -3.961 19033 3262 1 12 . 1 1 33 33 GLU H H 33 8.723 8.723 8.638 0.085 19033 3263 1 12 . 1 1 34 34 LEU N N 34 125.739 125.739 125.580 0.159 19033 3264 1 12 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.625 0.025 19033 3265 1 12 . 1 1 34 34 LEU CA C 34 51.344 51.344 54.010 -2.666 19033 3266 1 12 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.469 -3.656 19033 3267 1 12 . 1 1 34 34 LEU H H 34 8.488 8.488 8.372 0.116 19033 3268 1 12 . 1 1 35 35 GLU N N 35 117.915 117.915 120.022 -2.107 19033 3269 1 12 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.568 -0.279 19033 3270 1 12 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.386 -1.954 19033 3271 1 12 . 1 1 35 35 GLU CB C 35 27.756 27.756 29.922 -2.166 19033 3272 1 12 . 1 1 35 35 GLU H H 35 8.174 8.174 8.469 -0.295 19033 3273 1 12 . 1 1 36 36 ASP N N 36 116.640 116.640 119.970 -3.330 19033 3274 1 12 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.792 -0.429 19033 3275 1 12 . 1 1 36 36 ASP CA C 36 52.392 52.392 55.037 -2.645 19033 3276 1 12 . 1 1 36 36 ASP CB C 36 37.268 37.268 40.962 -3.694 19033 3277 1 12 . 1 1 36 36 ASP H H 36 8.755 8.755 8.387 0.368 19033 3278 1 12 . 1 1 37 37 GLY N N 37 104.775 104.775 107.559 -2.784 19033 3279 1 12 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.469 -2.403 19033 3280 1 12 . 1 1 37 37 GLY H H 37 8.235 8.235 8.325 -0.090 19033 3281 1 12 . 1 1 38 38 TRP N N 38 119.789 119.789 120.685 -0.896 19033 3282 1 12 . 1 1 38 38 TRP HA H 38 4.952 4.952 4.916 0.036 19033 3283 1 12 . 1 1 38 38 TRP CA C 38 54.689 54.689 57.139 -2.450 19033 3284 1 12 . 1 1 38 38 TRP CB C 38 28.348 28.348 30.598 -2.250 19033 3285 1 12 . 1 1 38 38 TRP H H 38 7.331 7.331 7.776 -0.445 19033 3286 1 12 . 1 1 39 39 MET N N 39 118.460 118.460 117.937 0.523 19033 3287 1 12 . 1 1 39 39 MET HA H 39 4.941 4.941 5.026 -0.085 19033 3288 1 12 . 1 1 39 39 MET CA C 39 52.194 52.194 54.355 -2.161 19033 3289 1 12 . 1 1 39 39 MET CB C 39 35.101 35.101 37.179 -2.078 19033 3290 1 12 . 1 1 39 39 MET H H 39 9.330 9.330 9.169 0.161 19033 3291 1 12 . 1 1 40 40 TRP N N 40 123.201 123.201 126.826 -3.625 19033 3292 1 12 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.089 -0.021 19033 3293 1 12 . 1 1 40 40 TRP CA C 40 54.321 54.321 57.912 -3.591 19033 3294 1 12 . 1 1 40 40 TRP CB C 40 27.857 27.857 30.654 -2.797 19033 3295 1 12 . 1 1 40 40 TRP H H 40 8.777 8.777 8.858 -0.081 19033 3296 1 12 . 1 1 41 41 VAL N N 41 120.754 120.754 119.623 1.131 19033 3297 1 12 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.525 -0.078 19033 3298 1 12 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.007 -2.296 19033 3299 1 12 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.111 -0.683 19033 3300 1 12 . 1 1 41 41 VAL H H 41 8.755 8.755 8.825 -0.070 19033 3301 1 12 . 1 1 42 42 THR N N 42 112.967 112.967 115.884 -2.917 19033 3302 1 12 . 1 1 42 42 THR HA H 42 4.999 4.999 5.004 -0.005 19033 3303 1 12 . 1 1 42 42 THR CA C 42 59.763 59.763 61.621 -1.858 19033 3304 1 12 . 1 1 42 42 THR CB C 42 68.696 68.696 71.172 -2.476 19033 3305 1 12 . 1 1 42 42 THR H H 42 8.142 8.142 8.328 -0.186 19033 3306 1 12 . 1 1 43 43 ASN N N 43 124.680 124.680 124.288 0.392 19033 3307 1 12 . 1 1 43 43 ASN HA H 43 4.409 4.409 4.861 -0.452 19033 3308 1 12 . 1 1 43 43 ASN CA C 43 50.340 50.340 51.750 -1.410 19033 3309 1 12 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.120 -2.334 19033 3310 1 12 . 1 1 43 43 ASN H H 43 8.848 8.848 9.050 -0.202 19033 3311 1 12 . 1 1 44 44 LEU N N 44 126.753 126.753 125.719 1.034 19033 3312 1 12 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.147 -0.098 19033 3313 1 12 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.108 -1.853 19033 3314 1 12 . 1 1 44 44 LEU CB C 44 38.647 38.647 40.928 -2.281 19033 3315 1 12 . 1 1 44 44 LEU H H 44 8.841 8.841 8.360 0.481 19033 3316 1 12 . 1 1 45 45 ARG N N 45 119.154 119.154 118.176 0.978 19033 3317 1 12 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.077 0.078 19033 3318 1 12 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.486 -2.167 19033 3319 1 12 . 1 1 45 45 ARG CB C 45 27.552 27.552 30.541 -2.989 19033 3320 1 12 . 1 1 45 45 ARG H H 45 8.452 8.452 8.280 0.172 19033 3321 1 12 . 1 1 46 46 THR N N 46 105.128 105.128 111.327 -6.199 19033 3322 1 12 . 1 1 46 46 THR HA H 46 4.180 4.180 4.399 -0.219 19033 3323 1 12 . 1 1 46 46 THR CA C 46 58.368 58.368 62.320 -3.952 19033 3324 1 12 . 1 1 46 46 THR CB C 46 67.991 67.991 69.724 -1.733 19033 3325 1 12 . 1 1 46 46 THR H H 46 6.842 6.842 7.489 -0.647 19033 3326 1 12 . 1 1 47 47 ASP N N 47 120.147 120.147 120.345 -0.198 19033 3327 1 12 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.341 -0.068 19033 3328 1 12 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.888 -2.295 19033 3329 1 12 . 1 1 47 47 ASP CB C 47 37.748 37.748 39.920 -2.172 19033 3330 1 12 . 1 1 47 47 ASP H H 47 8.650 8.650 8.145 0.505 19033 3331 1 12 . 1 1 48 48 GLU N N 48 117.574 117.574 118.426 -0.852 19033 3332 1 12 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.217 0.077 19033 3333 1 12 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.513 -3.770 19033 3334 1 12 . 1 1 48 48 GLU CB C 48 29.503 29.503 30.614 -1.111 19033 3335 1 12 . 1 1 48 48 GLU H H 48 7.454 7.454 7.810 -0.356 19033 3336 1 12 . 1 1 49 49 GLN N N 49 119.154 119.154 120.642 -1.488 19033 3337 1 12 . 1 1 49 49 GLN HA H 49 5.649 5.649 5.025 0.624 19033 3338 1 12 . 1 1 49 49 GLN CA C 49 50.614 50.614 54.673 -4.059 19033 3339 1 12 . 1 1 49 49 GLN CB C 49 29.447 29.447 32.975 -3.528 19033 3340 1 12 . 1 1 49 49 GLN H H 49 8.314 8.314 8.413 -0.099 19033 3341 1 12 . 1 1 50 50 GLY N N 50 108.506 108.506 107.562 0.944 19033 3342 1 12 . 1 1 50 50 GLY CA C 50 42.255 42.255 43.970 -1.715 19033 3343 1 12 . 1 1 50 50 GLY H H 50 7.795 7.795 8.041 -0.246 19033 3344 1 12 . 1 1 51 51 LEU N N 51 119.484 119.484 122.086 -2.602 19033 3345 1 12 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.212 0.166 19033 3346 1 12 . 1 1 51 51 LEU CA C 51 51.274 51.274 54.219 -2.945 19033 3347 1 12 . 1 1 51 51 LEU CB C 51 43.574 43.574 43.156 0.418 19033 3348 1 12 . 1 1 51 51 LEU H H 51 7.748 7.748 7.795 -0.047 19033 3349 1 12 . 1 1 52 52 ILE N N 52 114.127 114.127 116.992 -2.865 19033 3350 1 12 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.902 -0.257 19033 3351 1 12 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.646 -2.306 19033 3352 1 12 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.352 -1.446 19033 3353 1 12 . 1 1 52 52 ILE H H 52 8.802 8.802 8.657 0.145 19033 3354 1 12 . 1 1 53 53 VAL N N 53 120.370 120.370 121.585 -1.215 19033 3355 1 12 . 1 1 53 53 VAL HA H 53 4.018 4.018 4.022 -0.004 19033 3356 1 12 . 1 1 53 53 VAL CA C 53 56.467 56.467 59.381 -2.914 19033 3357 1 12 . 1 1 53 53 VAL CB C 53 30.327 30.327 34.176 -3.849 19033 3358 1 12 . 1 1 53 53 VAL H H 53 7.495 7.495 8.173 -0.678 19033 3359 1 12 . 1 1 54 54 GLU N N 54 122.759 122.759 127.580 -4.821 19033 3360 1 12 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.878 -0.288 19033 3361 1 12 . 1 1 54 54 GLU CA C 54 55.564 55.564 59.307 -3.744 19033 3362 1 12 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.228 -2.802 19033 3363 1 12 . 1 1 54 54 GLU H H 54 8.104 8.104 8.408 -0.304 19033 3364 1 12 . 1 1 55 55 ASP N N 55 114.708 114.708 119.312 -4.604 19033 3365 1 12 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.381 -0.177 19033 3366 1 12 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.181 -2.895 19033 3367 1 12 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.669 -2.554 19033 3368 1 12 . 1 1 55 55 ASP H H 55 7.394 7.394 8.392 -0.998 19033 3369 1 12 . 1 1 56 56 LEU N N 56 116.100 116.100 118.005 -1.905 19033 3370 1 12 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.645 -0.247 19033 3371 1 12 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.229 -2.330 19033 3372 1 12 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.269 -3.705 19033 3373 1 12 . 1 1 56 56 LEU H H 56 7.121 7.121 7.260 -0.139 19033 3374 1 12 . 1 1 57 57 VAL N N 57 109.850 109.850 115.867 -6.017 19033 3375 1 12 . 1 1 57 57 VAL HA H 57 5.381 5.381 4.894 0.487 19033 3376 1 12 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.341 -2.781 19033 3377 1 12 . 1 1 57 57 VAL CB C 57 33.744 33.744 34.093 -0.349 19033 3378 1 12 . 1 1 57 57 VAL H H 57 7.438 7.438 7.281 0.157 19033 3379 1 12 . 1 1 58 58 GLU N N 58 116.558 116.558 120.168 -3.610 19033 3380 1 12 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.607 0.228 19033 3381 1 12 . 1 1 58 58 GLU CA C 58 50.156 50.156 54.215 -4.059 19033 3382 1 12 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.395 -2.041 19033 3383 1 12 . 1 1 58 58 GLU H H 58 8.886 8.886 8.841 0.045 19033 3384 1 12 . 1 1 59 59 GLU N N 59 121.900 121.900 123.610 -1.710 19033 3385 1 12 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.096 0.134 19033 3386 1 12 . 1 1 59 59 GLU CA C 59 54.417 54.417 57.767 -3.350 19033 3387 1 12 . 1 1 59 59 GLU CB C 59 27.517 27.517 29.610 -2.094 19033 3388 1 12 . 1 1 59 59 GLU H H 59 8.659 8.659 8.690 -0.031 19033 3389 1 12 . 1 1 60 60 VAL N N 60 122.505 122.505 126.643 -4.138 19033 3390 1 12 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.428 -0.341 19033 3391 1 12 . 1 1 60 60 VAL CA C 60 59.466 59.466 59.490 -0.024 19033 3392 1 12 . 1 1 60 60 VAL CB C 60 30.306 30.306 35.099 -4.793 19033 3393 1 12 . 1 1 60 60 VAL H H 60 8.069 8.069 7.778 0.291 19033 3394 1 12 . 1 1 61 61 GLY N N 61 112.799 112.799 110.793 2.006 19033 3395 1 12 . 1 1 61 61 GLY CA C 61 42.709 42.709 45.365 -2.656 19033 3396 1 12 . 1 1 61 61 GLY H H 61 8.383 8.383 8.517 -0.134 19033 3397 1 13 . 1 1 3 3 ARG N N 3 123.172 123.172 120.418 2.754 19033 3398 1 13 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.565 -0.267 19033 3399 1 13 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.696 -0.519 19033 3400 1 13 . 1 1 3 3 ARG CB C 3 29.313 29.313 34.238 -4.925 19033 3401 1 13 . 1 1 3 3 ARG H H 3 8.600 8.600 8.129 0.471 19033 3402 1 13 . 1 1 4 4 ARG N N 4 122.811 122.811 120.063 2.748 19033 3403 1 13 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.709 0.736 19033 3404 1 13 . 1 1 4 4 ARG CA C 4 51.948 51.948 55.566 -3.618 19033 3405 1 13 . 1 1 4 4 ARG CB C 4 30.814 30.814 34.088 -3.274 19033 3406 1 13 . 1 1 4 4 ARG H H 4 8.458 8.458 8.727 -0.269 19033 3407 1 13 . 1 1 5 5 VAL N N 5 112.133 112.133 116.891 -4.758 19033 3408 1 13 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.167 -0.083 19033 3409 1 13 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.313 -3.419 19033 3410 1 13 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.213 -1.599 19033 3411 1 13 . 1 1 5 5 VAL H H 5 8.173 8.173 8.305 -0.132 19033 3412 1 13 . 1 1 6 6 ARG N N 6 120.981 120.981 120.840 0.141 19033 3413 1 13 . 1 1 6 6 ARG HA H 6 5.615 5.615 5.019 0.596 19033 3414 1 13 . 1 1 6 6 ARG CA C 6 50.883 50.883 54.082 -3.199 19033 3415 1 13 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.450 -1.786 19033 3416 1 13 . 1 1 6 6 ARG H H 6 9.102 9.102 8.398 0.704 19033 3417 1 13 . 1 1 7 7 ALA N N 7 127.309 127.309 128.777 -1.468 19033 3418 1 13 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.810 0.015 19033 3419 1 13 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.202 -1.192 19033 3420 1 13 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.753 -2.193 19033 3421 1 13 . 1 1 7 7 ALA H H 7 9.300 9.300 9.064 0.236 19033 3422 1 13 . 1 1 8 8 ILE N N 8 119.944 119.944 118.346 1.598 19033 3423 1 13 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.527 -0.234 19033 3424 1 13 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.825 -1.752 19033 3425 1 13 . 1 1 8 8 ILE CB C 8 36.125 36.125 38.385 -2.260 19033 3426 1 13 . 1 1 8 8 ILE H H 8 9.095 9.095 8.412 0.683 19033 3427 1 13 . 1 1 9 9 LEU N N 9 123.267 123.267 120.964 2.303 19033 3428 1 13 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.955 -0.406 19033 3429 1 13 . 1 1 9 9 LEU CA C 9 49.936 49.936 51.979 -2.043 19033 3430 1 13 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.477 -0.595 19033 3431 1 13 . 1 1 9 9 LEU H H 9 7.738 7.738 7.680 0.058 19033 3432 1 13 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.640 -0.106 19033 3433 1 13 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.158 -3.012 19033 3434 1 13 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.638 -2.273 19033 3435 1 13 . 1 1 11 11 TYR N N 11 117.178 117.178 118.459 -1.281 19033 3436 1 13 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.433 -0.363 19033 3437 1 13 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.391 -1.087 19033 3438 1 13 . 1 1 11 11 TYR CB C 11 39.864 39.864 40.949 -1.085 19033 3439 1 13 . 1 1 11 11 TYR H H 11 7.754 7.754 8.664 -0.910 19033 3440 1 13 . 1 1 12 12 THR N N 12 125.004 125.004 119.718 5.286 19033 3441 1 13 . 1 1 12 12 THR HA H 12 4.224 4.224 4.241 -0.017 19033 3442 1 13 . 1 1 12 12 THR CA C 12 57.833 57.833 59.982 -2.149 19033 3443 1 13 . 1 1 12 12 THR CB C 12 66.962 66.962 69.200 -2.238 19033 3444 1 13 . 1 1 12 12 THR H H 12 7.149 7.149 7.647 -0.498 19033 3445 1 13 . 1 1 13 13 LYS N N 13 123.175 123.175 126.813 -3.638 19033 3446 1 13 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.353 -0.205 19033 3447 1 13 . 1 1 13 13 LYS CA C 13 52.749 52.749 55.052 -2.303 19033 3448 1 13 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.728 -3.378 19033 3449 1 13 . 1 1 13 13 LYS H H 13 8.121 8.121 8.139 -0.018 19033 3450 1 13 . 1 1 14 14 VAL N N 14 126.091 126.091 120.542 5.549 19033 3451 1 13 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.427 -0.379 19033 3452 1 13 . 1 1 14 14 VAL CA C 14 58.059 58.059 59.261 -1.202 19033 3453 1 13 . 1 1 14 14 VAL CB C 14 29.394 29.394 32.124 -2.730 19033 3454 1 13 . 1 1 14 14 VAL H H 14 8.061 8.061 8.534 -0.473 19033 3455 1 13 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.304 -0.184 19033 3456 1 13 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.894 -2.844 19033 3457 1 13 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.273 -2.579 19033 3458 1 13 . 1 1 16 16 ASP N N 16 115.188 115.188 116.101 -0.913 19033 3459 1 13 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.397 -0.110 19033 3460 1 13 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.447 -2.258 19033 3461 1 13 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.673 -4.362 19033 3462 1 13 . 1 1 16 16 ASP H H 16 8.808 8.808 8.963 -0.155 19033 3463 1 13 . 1 1 17 17 THR N N 17 106.185 106.185 112.506 -6.321 19033 3464 1 13 . 1 1 17 17 THR HA H 17 4.704 4.704 4.597 0.107 19033 3465 1 13 . 1 1 17 17 THR CA C 17 58.069 58.069 61.272 -3.203 19033 3466 1 13 . 1 1 17 17 THR CB C 17 70.764 70.764 70.456 0.308 19033 3467 1 13 . 1 1 17 17 THR H H 17 7.264 7.264 7.481 -0.217 19033 3468 1 13 . 1 1 18 18 ASP N N 18 117.426 117.426 119.593 -2.167 19033 3469 1 13 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.720 0.243 19033 3470 1 13 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.306 -2.386 19033 3471 1 13 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.673 -2.614 19033 3472 1 13 . 1 1 18 18 ASP H H 18 8.855 8.855 8.672 0.183 19033 3473 1 13 . 1 1 19 19 GLU N N 19 119.666 119.666 118.978 0.688 19033 3474 1 13 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.248 0.446 19033 3475 1 13 . 1 1 19 19 GLU CA C 19 54.515 54.515 56.784 -2.269 19033 3476 1 13 . 1 1 19 19 GLU CB C 19 29.535 29.535 31.082 -1.547 19033 3477 1 13 . 1 1 19 19 GLU H H 19 7.603 7.603 7.422 0.181 19033 3478 1 13 . 1 1 20 20 ILE N N 20 109.127 109.127 113.463 -4.336 19033 3479 1 13 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.581 0.272 19033 3480 1 13 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.705 -3.448 19033 3481 1 13 . 1 1 20 20 ILE CB C 20 38.401 38.401 41.904 -3.503 19033 3482 1 13 . 1 1 20 20 ILE H H 20 6.909 6.909 7.965 -1.056 19033 3483 1 13 . 1 1 21 21 SER N N 21 117.834 117.834 116.245 1.589 19033 3484 1 13 . 1 1 21 21 SER HA H 21 4.796 4.796 5.408 -0.612 19033 3485 1 13 . 1 1 21 21 SER CA C 21 54.907 54.907 56.967 -2.060 19033 3486 1 13 . 1 1 21 21 SER CB C 21 61.426 61.426 65.372 -3.946 19033 3487 1 13 . 1 1 21 21 SER H H 21 8.738 8.738 8.357 0.381 19033 3488 1 13 . 1 1 22 22 PHE N N 22 116.177 116.177 115.404 0.773 19033 3489 1 13 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.080 -0.415 19033 3490 1 13 . 1 1 22 22 PHE CA C 22 53.807 53.807 57.027 -3.220 19033 3491 1 13 . 1 1 22 22 PHE CB C 22 38.324 38.324 40.997 -2.673 19033 3492 1 13 . 1 1 22 22 PHE H H 22 8.860 8.860 8.136 0.724 19033 3493 1 13 . 1 1 23 23 LEU N N 23 121.283 121.283 119.196 2.087 19033 3494 1 13 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.796 -0.185 19033 3495 1 13 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.280 -3.327 19033 3496 1 13 . 1 1 23 23 LEU CB C 23 41.634 41.634 46.397 -4.763 19033 3497 1 13 . 1 1 23 23 LEU H H 23 8.681 8.681 8.731 -0.050 19033 3498 1 13 . 1 1 24 24 LYS N N 24 119.660 119.660 121.374 -1.714 19033 3499 1 13 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.931 -0.609 19033 3500 1 13 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.404 -1.976 19033 3501 1 13 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.525 -2.538 19033 3502 1 13 . 1 1 24 24 LYS H H 24 8.076 8.076 8.438 -0.362 19033 3503 1 13 . 1 1 25 25 GLY N N 25 115.402 115.402 114.718 0.684 19033 3504 1 13 . 1 1 25 25 GLY CA C 25 42.313 42.313 45.073 -2.760 19033 3505 1 13 . 1 1 25 25 GLY H H 25 8.569 8.569 8.720 -0.151 19033 3506 1 13 . 1 1 26 26 ASP N N 26 122.287 122.287 120.964 1.323 19033 3507 1 13 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.683 -0.376 19033 3508 1 13 . 1 1 26 26 ASP CA C 26 53.273 53.273 54.918 -1.645 19033 3509 1 13 . 1 1 26 26 ASP CB C 26 37.932 37.932 41.796 -3.864 19033 3510 1 13 . 1 1 26 26 ASP H H 26 7.847 7.847 7.815 0.032 19033 3511 1 13 . 1 1 27 27 MET N N 27 119.570 119.570 116.131 3.439 19033 3512 1 13 . 1 1 27 27 MET HA H 27 5.070 5.070 4.955 0.115 19033 3513 1 13 . 1 1 27 27 MET CA C 27 50.485 50.485 54.255 -3.771 19033 3514 1 13 . 1 1 27 27 MET CB C 27 32.786 32.786 36.668 -3.882 19033 3515 1 13 . 1 1 27 27 MET H H 27 8.117 8.117 8.018 0.099 19033 3516 1 13 . 1 1 28 28 PHE N N 28 116.911 116.911 117.692 -0.781 19033 3517 1 13 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.723 -0.064 19033 3518 1 13 . 1 1 28 28 PHE CA C 28 52.237 52.237 56.395 -4.158 19033 3519 1 13 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.575 -4.448 19033 3520 1 13 . 1 1 28 28 PHE H H 28 8.909 8.909 8.879 0.030 19033 3521 1 13 . 1 1 29 29 ILE N N 29 118.126 118.126 113.151 4.975 19033 3522 1 13 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.545 0.009 19033 3523 1 13 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.775 -3.227 19033 3524 1 13 . 1 1 29 29 ILE CB C 29 37.618 37.618 41.745 -4.127 19033 3525 1 13 . 1 1 29 29 ILE H H 29 8.060 8.060 8.072 -0.012 19033 3526 1 13 . 1 1 30 30 VAL N N 30 125.411 125.411 122.313 3.098 19033 3527 1 13 . 1 1 30 30 VAL HA H 30 3.864 3.864 4.007 -0.143 19033 3528 1 13 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.708 -3.834 19033 3529 1 13 . 1 1 30 30 VAL CB C 30 29.863 29.863 32.100 -2.237 19033 3530 1 13 . 1 1 30 30 VAL H H 30 8.331 8.331 8.400 -0.069 19033 3531 1 13 . 1 1 31 31 HIS N N 31 127.208 127.208 127.350 -0.142 19033 3532 1 13 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.876 -0.178 19033 3533 1 13 . 1 1 31 31 HIS CA C 31 54.672 54.672 57.432 -2.760 19033 3534 1 13 . 1 1 31 31 HIS CB C 31 28.040 28.040 33.177 -5.137 19033 3535 1 13 . 1 1 31 31 HIS H H 31 9.289 9.289 8.944 0.345 19033 3536 1 13 . 1 1 32 32 ASN N N 32 112.446 112.446 116.808 -4.362 19033 3537 1 13 . 1 1 32 32 ASN HA H 32 4.950 4.950 5.004 -0.054 19033 3538 1 13 . 1 1 32 32 ASN CA C 32 50.672 50.672 53.066 -2.394 19033 3539 1 13 . 1 1 32 32 ASN CB C 32 39.290 39.290 42.149 -2.859 19033 3540 1 13 . 1 1 32 32 ASN H H 32 7.866 7.866 8.231 -0.365 19033 3541 1 13 . 1 1 33 33 GLU N N 33 123.553 123.553 120.788 2.765 19033 3542 1 13 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.674 -0.269 19033 3543 1 13 . 1 1 33 33 GLU CA C 33 54.104 54.104 56.118 -2.014 19033 3544 1 13 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.730 -4.052 19033 3545 1 13 . 1 1 33 33 GLU H H 33 8.723 8.723 8.671 0.052 19033 3546 1 13 . 1 1 34 34 LEU N N 34 125.739 125.739 125.655 0.084 19033 3547 1 13 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.665 -0.015 19033 3548 1 13 . 1 1 34 34 LEU CA C 34 51.344 51.344 54.018 -2.674 19033 3549 1 13 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.707 -3.894 19033 3550 1 13 . 1 1 34 34 LEU H H 34 8.488 8.488 8.300 0.188 19033 3551 1 13 . 1 1 35 35 GLU N N 35 117.915 117.915 120.540 -2.625 19033 3552 1 13 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.615 -0.326 19033 3553 1 13 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.704 -2.272 19033 3554 1 13 . 1 1 35 35 GLU CB C 35 27.756 27.756 29.711 -1.955 19033 3555 1 13 . 1 1 35 35 GLU H H 35 8.174 8.174 8.614 -0.440 19033 3556 1 13 . 1 1 36 36 ASP N N 36 116.640 116.640 120.867 -4.227 19033 3557 1 13 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.827 -0.464 19033 3558 1 13 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.828 -2.436 19033 3559 1 13 . 1 1 36 36 ASP CB C 36 37.268 37.268 41.704 -4.436 19033 3560 1 13 . 1 1 36 36 ASP H H 36 8.755 8.755 8.632 0.123 19033 3561 1 13 . 1 1 37 37 GLY N N 37 104.775 104.775 107.976 -3.201 19033 3562 1 13 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.318 -2.252 19033 3563 1 13 . 1 1 37 37 GLY H H 37 8.235 8.235 8.380 -0.145 19033 3564 1 13 . 1 1 38 38 TRP N N 38 119.789 119.789 119.807 -0.018 19033 3565 1 13 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.471 -0.519 19033 3566 1 13 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.680 -0.991 19033 3567 1 13 . 1 1 38 38 TRP CB C 38 28.348 28.348 31.988 -3.640 19033 3568 1 13 . 1 1 38 38 TRP H H 38 7.331 7.331 7.787 -0.456 19033 3569 1 13 . 1 1 39 39 MET N N 39 118.460 118.460 118.359 0.101 19033 3570 1 13 . 1 1 39 39 MET HA H 39 4.941 4.941 5.099 -0.158 19033 3571 1 13 . 1 1 39 39 MET CA C 39 52.194 52.194 54.823 -2.629 19033 3572 1 13 . 1 1 39 39 MET CB C 39 35.101 35.101 37.083 -1.982 19033 3573 1 13 . 1 1 39 39 MET H H 39 9.330 9.330 9.139 0.191 19033 3574 1 13 . 1 1 40 40 TRP N N 40 123.201 123.201 124.542 -1.341 19033 3575 1 13 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.321 -0.253 19033 3576 1 13 . 1 1 40 40 TRP CA C 40 54.321 54.321 57.468 -3.147 19033 3577 1 13 . 1 1 40 40 TRP CB C 40 27.857 27.857 32.036 -4.179 19033 3578 1 13 . 1 1 40 40 TRP H H 40 8.777 8.777 8.433 0.344 19033 3579 1 13 . 1 1 41 41 VAL N N 41 120.754 120.754 117.254 3.500 19033 3580 1 13 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.412 0.035 19033 3581 1 13 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.635 -2.924 19033 3582 1 13 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.325 -0.897 19033 3583 1 13 . 1 1 41 41 VAL H H 41 8.755 8.755 8.756 -0.001 19033 3584 1 13 . 1 1 42 42 THR N N 42 112.967 112.967 115.383 -2.416 19033 3585 1 13 . 1 1 42 42 THR HA H 42 4.999 4.999 5.048 -0.049 19033 3586 1 13 . 1 1 42 42 THR CA C 42 59.763 59.763 61.433 -1.670 19033 3587 1 13 . 1 1 42 42 THR CB C 42 68.696 68.696 71.063 -2.367 19033 3588 1 13 . 1 1 42 42 THR H H 42 8.142 8.142 8.316 -0.174 19033 3589 1 13 . 1 1 43 43 ASN N N 43 124.680 124.680 124.982 -0.302 19033 3590 1 13 . 1 1 43 43 ASN HA H 43 4.409 4.409 4.363 0.046 19033 3591 1 13 . 1 1 43 43 ASN CA C 43 50.340 50.340 52.095 -1.755 19033 3592 1 13 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.151 -2.365 19033 3593 1 13 . 1 1 43 43 ASN H H 43 8.848 8.848 9.138 -0.290 19033 3594 1 13 . 1 1 44 44 LEU N N 44 126.753 126.753 124.987 1.766 19033 3595 1 13 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.158 -0.109 19033 3596 1 13 . 1 1 44 44 LEU CA C 44 54.255 54.255 55.842 -1.587 19033 3597 1 13 . 1 1 44 44 LEU CB C 44 38.647 38.647 40.744 -2.097 19033 3598 1 13 . 1 1 44 44 LEU H H 44 8.841 8.841 8.431 0.410 19033 3599 1 13 . 1 1 45 45 ARG N N 45 119.154 119.154 116.710 2.444 19033 3600 1 13 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.114 0.041 19033 3601 1 13 . 1 1 45 45 ARG CA C 45 56.319 56.319 57.859 -1.540 19033 3602 1 13 . 1 1 45 45 ARG CB C 45 27.552 27.552 30.760 -3.208 19033 3603 1 13 . 1 1 45 45 ARG H H 45 8.452 8.452 7.764 0.688 19033 3604 1 13 . 1 1 46 46 THR N N 46 105.128 105.128 111.077 -5.949 19033 3605 1 13 . 1 1 46 46 THR HA H 46 4.180 4.180 4.367 -0.187 19033 3606 1 13 . 1 1 46 46 THR CA C 46 58.368 58.368 62.636 -4.268 19033 3607 1 13 . 1 1 46 46 THR CB C 46 67.991 67.991 69.494 -1.503 19033 3608 1 13 . 1 1 46 46 THR H H 46 6.842 6.842 7.569 -0.727 19033 3609 1 13 . 1 1 47 47 ASP N N 47 120.147 120.147 120.521 -0.374 19033 3610 1 13 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.286 -0.013 19033 3611 1 13 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.677 -2.084 19033 3612 1 13 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.424 -2.676 19033 3613 1 13 . 1 1 47 47 ASP H H 47 8.650 8.650 8.062 0.588 19033 3614 1 13 . 1 1 48 48 GLU N N 48 117.574 117.574 118.580 -1.006 19033 3615 1 13 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.243 0.051 19033 3616 1 13 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.428 -3.685 19033 3617 1 13 . 1 1 48 48 GLU CB C 48 29.503 29.503 30.602 -1.099 19033 3618 1 13 . 1 1 48 48 GLU H H 48 7.454 7.454 7.789 -0.335 19033 3619 1 13 . 1 1 49 49 GLN N N 49 119.154 119.154 121.167 -2.013 19033 3620 1 13 . 1 1 49 49 GLN HA H 49 5.649 5.649 5.078 0.571 19033 3621 1 13 . 1 1 49 49 GLN CA C 49 50.614 50.614 54.426 -3.812 19033 3622 1 13 . 1 1 49 49 GLN CB C 49 29.447 29.447 33.141 -3.694 19033 3623 1 13 . 1 1 49 49 GLN H H 49 8.314 8.314 8.450 -0.136 19033 3624 1 13 . 1 1 50 50 GLY N N 50 108.506 108.506 107.821 0.685 19033 3625 1 13 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.214 -1.959 19033 3626 1 13 . 1 1 50 50 GLY H H 50 7.795 7.795 7.739 0.056 19033 3627 1 13 . 1 1 51 51 LEU N N 51 119.484 119.484 121.075 -1.591 19033 3628 1 13 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.149 0.229 19033 3629 1 13 . 1 1 51 51 LEU CA C 51 51.274 51.274 54.172 -2.898 19033 3630 1 13 . 1 1 51 51 LEU CB C 51 43.574 43.574 44.047 -0.473 19033 3631 1 13 . 1 1 51 51 LEU H H 51 7.748 7.748 7.609 0.139 19033 3632 1 13 . 1 1 52 52 ILE N N 52 114.127 114.127 115.372 -1.245 19033 3633 1 13 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.649 -0.004 19033 3634 1 13 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.284 -1.944 19033 3635 1 13 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.007 -1.101 19033 3636 1 13 . 1 1 52 52 ILE H H 52 8.802 8.802 8.828 -0.026 19033 3637 1 13 . 1 1 53 53 VAL N N 53 120.370 120.370 121.311 -0.941 19033 3638 1 13 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.863 0.155 19033 3639 1 13 . 1 1 53 53 VAL CA C 53 56.467 56.467 58.605 -2.138 19033 3640 1 13 . 1 1 53 53 VAL CB C 53 30.327 30.327 33.718 -3.391 19033 3641 1 13 . 1 1 53 53 VAL H H 53 7.495 7.495 7.853 -0.358 19033 3642 1 13 . 1 1 54 54 GLU N N 54 122.759 122.759 125.176 -2.417 19033 3643 1 13 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.934 -0.344 19033 3644 1 13 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.203 -2.639 19033 3645 1 13 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.187 -2.761 19033 3646 1 13 . 1 1 54 54 GLU H H 54 8.104 8.104 7.979 0.125 19033 3647 1 13 . 1 1 55 55 ASP N N 55 114.708 114.708 119.293 -4.585 19033 3648 1 13 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.456 -0.252 19033 3649 1 13 . 1 1 55 55 ASP CA C 55 53.286 53.286 55.909 -2.623 19033 3650 1 13 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.590 -2.475 19033 3651 1 13 . 1 1 55 55 ASP H H 55 7.394 7.394 8.234 -0.840 19033 3652 1 13 . 1 1 56 56 LEU N N 56 116.100 116.100 118.664 -2.564 19033 3653 1 13 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.665 -0.267 19033 3654 1 13 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.241 -2.342 19033 3655 1 13 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.218 -3.654 19033 3656 1 13 . 1 1 56 56 LEU H H 56 7.121 7.121 7.328 -0.207 19033 3657 1 13 . 1 1 57 57 VAL N N 57 109.850 109.850 114.091 -4.241 19033 3658 1 13 . 1 1 57 57 VAL HA H 57 5.381 5.381 4.897 0.484 19033 3659 1 13 . 1 1 57 57 VAL CA C 57 55.560 55.560 59.015 -3.455 19033 3660 1 13 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.834 -2.090 19033 3661 1 13 . 1 1 57 57 VAL H H 57 7.438 7.438 7.251 0.187 19033 3662 1 13 . 1 1 58 58 GLU N N 58 116.558 116.558 120.535 -3.977 19033 3663 1 13 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.616 0.219 19033 3664 1 13 . 1 1 58 58 GLU CA C 58 50.156 50.156 53.935 -3.779 19033 3665 1 13 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.706 -2.352 19033 3666 1 13 . 1 1 58 58 GLU H H 58 8.886 8.886 8.908 -0.022 19033 3667 1 13 . 1 1 59 59 GLU N N 59 121.900 121.900 123.200 -1.300 19033 3668 1 13 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.165 0.064 19033 3669 1 13 . 1 1 59 59 GLU CA C 59 54.417 54.417 57.584 -3.167 19033 3670 1 13 . 1 1 59 59 GLU CB C 59 27.517 27.517 30.011 -2.494 19033 3671 1 13 . 1 1 59 59 GLU H H 59 8.659 8.659 8.769 -0.110 19033 3672 1 13 . 1 1 60 60 VAL N N 60 122.505 122.505 125.232 -2.727 19033 3673 1 13 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.480 -0.393 19033 3674 1 13 . 1 1 60 60 VAL CA C 60 59.466 59.466 59.230 0.236 19033 3675 1 13 . 1 1 60 60 VAL CB C 60 30.306 30.306 35.177 -4.871 19033 3676 1 13 . 1 1 60 60 VAL H H 60 8.069 8.069 7.787 0.282 19033 3677 1 13 . 1 1 61 61 GLY N N 61 112.799 112.799 111.630 1.169 19033 3678 1 13 . 1 1 61 61 GLY CA C 61 42.709 42.709 45.460 -2.751 19033 3679 1 13 . 1 1 61 61 GLY H H 61 8.383 8.383 8.531 -0.148 19033 3680 1 14 . 1 1 3 3 ARG N N 3 123.172 123.172 120.707 2.465 19033 3681 1 14 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.803 -0.505 19033 3682 1 14 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.754 -0.577 19033 3683 1 14 . 1 1 3 3 ARG CB C 3 29.313 29.313 32.534 -3.221 19033 3684 1 14 . 1 1 3 3 ARG H H 3 8.600 8.600 7.810 0.790 19033 3685 1 14 . 1 1 4 4 ARG N N 4 122.811 122.811 117.704 5.107 19033 3686 1 14 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.744 0.701 19033 3687 1 14 . 1 1 4 4 ARG CA C 4 51.948 51.948 55.053 -3.104 19033 3688 1 14 . 1 1 4 4 ARG CB C 4 30.814 30.814 33.456 -2.642 19033 3689 1 14 . 1 1 4 4 ARG H H 4 8.458 8.458 7.938 0.520 19033 3690 1 14 . 1 1 5 5 VAL N N 5 112.133 112.133 113.345 -1.212 19033 3691 1 14 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.179 -0.095 19033 3692 1 14 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.559 -3.664 19033 3693 1 14 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.894 -2.280 19033 3694 1 14 . 1 1 5 5 VAL H H 5 8.173 8.173 8.516 -0.343 19033 3695 1 14 . 1 1 6 6 ARG N N 6 120.981 120.981 120.632 0.349 19033 3696 1 14 . 1 1 6 6 ARG HA H 6 5.615 5.615 5.100 0.515 19033 3697 1 14 . 1 1 6 6 ARG CA C 6 50.883 50.883 54.470 -3.587 19033 3698 1 14 . 1 1 6 6 ARG CB C 6 32.664 32.664 35.238 -2.574 19033 3699 1 14 . 1 1 6 6 ARG H H 6 9.102 9.102 8.770 0.332 19033 3700 1 14 . 1 1 7 7 ALA N N 7 127.309 127.309 128.099 -0.790 19033 3701 1 14 . 1 1 7 7 ALA HA H 7 4.825 4.825 5.123 -0.298 19033 3702 1 14 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.057 -1.047 19033 3703 1 14 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.520 -1.960 19033 3704 1 14 . 1 1 7 7 ALA H H 7 9.300 9.300 9.063 0.237 19033 3705 1 14 . 1 1 8 8 ILE N N 8 119.944 119.944 119.790 0.154 19033 3706 1 14 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.490 -0.197 19033 3707 1 14 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.675 -1.601 19033 3708 1 14 . 1 1 8 8 ILE CB C 8 36.125 36.125 37.960 -1.835 19033 3709 1 14 . 1 1 8 8 ILE H H 8 9.095 9.095 8.715 0.380 19033 3710 1 14 . 1 1 9 9 LEU N N 9 123.267 123.267 121.057 2.210 19033 3711 1 14 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.917 -0.368 19033 3712 1 14 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.065 -2.129 19033 3713 1 14 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.471 -0.590 19033 3714 1 14 . 1 1 9 9 LEU H H 9 7.738 7.738 7.662 0.076 19033 3715 1 14 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.705 -0.171 19033 3716 1 14 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.447 -3.301 19033 3717 1 14 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.539 -2.174 19033 3718 1 14 . 1 1 11 11 TYR N N 11 117.178 117.178 120.917 -3.739 19033 3719 1 14 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.523 -0.453 19033 3720 1 14 . 1 1 11 11 TYR CA C 11 56.303 56.303 56.817 -0.514 19033 3721 1 14 . 1 1 11 11 TYR CB C 11 39.864 39.864 41.952 -2.088 19033 3722 1 14 . 1 1 11 11 TYR H H 11 7.754 7.754 8.646 -0.892 19033 3723 1 14 . 1 1 12 12 THR N N 12 125.004 125.004 119.306 5.698 19033 3724 1 14 . 1 1 12 12 THR HA H 12 4.224 4.224 4.297 -0.073 19033 3725 1 14 . 1 1 12 12 THR CA C 12 57.833 57.833 60.886 -3.053 19033 3726 1 14 . 1 1 12 12 THR CB C 12 66.962 66.962 69.895 -2.933 19033 3727 1 14 . 1 1 12 12 THR H H 12 7.149 7.149 6.886 0.263 19033 3728 1 14 . 1 1 13 13 LYS N N 13 123.175 123.175 125.047 -1.872 19033 3729 1 14 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.319 -0.171 19033 3730 1 14 . 1 1 13 13 LYS CA C 13 52.749 52.749 56.051 -3.302 19033 3731 1 14 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.172 -2.822 19033 3732 1 14 . 1 1 13 13 LYS H H 13 8.121 8.121 8.066 0.055 19033 3733 1 14 . 1 1 14 14 VAL N N 14 126.091 126.091 121.806 4.285 19033 3734 1 14 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.248 -0.200 19033 3735 1 14 . 1 1 14 14 VAL CA C 14 58.059 58.059 59.811 -1.752 19033 3736 1 14 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.729 -2.335 19033 3737 1 14 . 1 1 14 14 VAL H H 14 8.061 8.061 8.546 -0.485 19033 3738 1 14 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.527 -0.407 19033 3739 1 14 . 1 1 15 15 PRO CA C 15 61.050 61.050 62.800 -1.750 19033 3740 1 14 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.355 -2.660 19033 3741 1 14 . 1 1 16 16 ASP N N 16 115.188 115.188 116.804 -1.616 19033 3742 1 14 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.451 -0.164 19033 3743 1 14 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.063 -1.874 19033 3744 1 14 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.125 -3.814 19033 3745 1 14 . 1 1 16 16 ASP H H 16 8.808 8.808 9.014 -0.206 19033 3746 1 14 . 1 1 17 17 THR N N 17 106.185 106.185 108.911 -2.726 19033 3747 1 14 . 1 1 17 17 THR HA H 17 4.704 4.704 4.594 0.110 19033 3748 1 14 . 1 1 17 17 THR CA C 17 58.069 58.069 59.844 -1.775 19033 3749 1 14 . 1 1 17 17 THR CB C 17 70.764 70.764 71.584 -0.820 19033 3750 1 14 . 1 1 17 17 THR H H 17 7.264 7.264 7.356 -0.092 19033 3751 1 14 . 1 1 18 18 ASP N N 18 117.426 117.426 119.698 -2.272 19033 3752 1 14 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.640 0.323 19033 3753 1 14 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.883 -2.963 19033 3754 1 14 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.836 -2.777 19033 3755 1 14 . 1 1 18 18 ASP H H 18 8.855 8.855 8.655 0.200 19033 3756 1 14 . 1 1 19 19 GLU N N 19 119.666 119.666 118.137 1.529 19033 3757 1 14 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.689 0.005 19033 3758 1 14 . 1 1 19 19 GLU CA C 19 54.515 54.515 55.534 -1.019 19033 3759 1 14 . 1 1 19 19 GLU CB C 19 29.535 29.535 30.950 -1.415 19033 3760 1 14 . 1 1 19 19 GLU H H 19 7.603 7.603 7.933 -0.330 19033 3761 1 14 . 1 1 20 20 ILE N N 20 109.127 109.127 115.748 -6.621 19033 3762 1 14 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.602 0.251 19033 3763 1 14 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.668 -3.411 19033 3764 1 14 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.825 -2.424 19033 3765 1 14 . 1 1 20 20 ILE H H 20 6.909 6.909 8.352 -1.443 19033 3766 1 14 . 1 1 21 21 SER N N 21 117.834 117.834 119.307 -1.473 19033 3767 1 14 . 1 1 21 21 SER HA H 21 4.796 4.796 4.886 -0.090 19033 3768 1 14 . 1 1 21 21 SER CA C 21 54.907 54.907 58.107 -3.200 19033 3769 1 14 . 1 1 21 21 SER CB C 21 61.426 61.426 63.815 -2.389 19033 3770 1 14 . 1 1 21 21 SER H H 21 8.738 8.738 8.558 0.180 19033 3771 1 14 . 1 1 22 22 PHE N N 22 116.177 116.177 116.393 -0.216 19033 3772 1 14 . 1 1 22 22 PHE HA H 22 4.665 4.665 4.935 -0.270 19033 3773 1 14 . 1 1 22 22 PHE CA C 22 53.807 53.807 57.078 -3.271 19033 3774 1 14 . 1 1 22 22 PHE CB C 22 38.324 38.324 41.318 -2.994 19033 3775 1 14 . 1 1 22 22 PHE H H 22 8.860 8.860 7.718 1.142 19033 3776 1 14 . 1 1 23 23 LEU N N 23 121.283 121.283 120.724 0.559 19033 3777 1 14 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.784 -0.173 19033 3778 1 14 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.148 -3.195 19033 3779 1 14 . 1 1 23 23 LEU CB C 23 41.634 41.634 45.661 -4.027 19033 3780 1 14 . 1 1 23 23 LEU H H 23 8.681 8.681 8.748 -0.067 19033 3781 1 14 . 1 1 24 24 LYS N N 24 119.660 119.660 120.962 -1.302 19033 3782 1 14 . 1 1 24 24 LYS HA H 24 3.322 3.322 4.076 -0.754 19033 3783 1 14 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.378 -1.950 19033 3784 1 14 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.392 -2.405 19033 3785 1 14 . 1 1 24 24 LYS H H 24 8.076 8.076 8.489 -0.413 19033 3786 1 14 . 1 1 25 25 GLY N N 25 115.402 115.402 115.138 0.264 19033 3787 1 14 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.906 -2.593 19033 3788 1 14 . 1 1 25 25 GLY H H 25 8.569 8.569 8.873 -0.304 19033 3789 1 14 . 1 1 26 26 ASP N N 26 122.287 122.287 121.229 1.058 19033 3790 1 14 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.841 -0.534 19033 3791 1 14 . 1 1 26 26 ASP CA C 26 53.273 53.273 52.995 0.278 19033 3792 1 14 . 1 1 26 26 ASP CB C 26 37.932 37.932 42.583 -4.651 19033 3793 1 14 . 1 1 26 26 ASP H H 26 7.847 7.847 7.701 0.146 19033 3794 1 14 . 1 1 27 27 MET N N 27 119.570 119.570 118.063 1.507 19033 3795 1 14 . 1 1 27 27 MET HA H 27 5.070 5.070 4.719 0.351 19033 3796 1 14 . 1 1 27 27 MET CA C 27 50.485 50.485 54.351 -3.866 19033 3797 1 14 . 1 1 27 27 MET CB C 27 32.786 32.786 36.260 -3.474 19033 3798 1 14 . 1 1 27 27 MET H H 27 8.117 8.117 7.954 0.163 19033 3799 1 14 . 1 1 28 28 PHE N N 28 116.911 116.911 116.428 0.483 19033 3800 1 14 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.625 0.034 19033 3801 1 14 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.609 -3.372 19033 3802 1 14 . 1 1 28 28 PHE CB C 28 39.127 39.127 42.913 -3.787 19033 3803 1 14 . 1 1 28 28 PHE H H 28 8.909 8.909 9.100 -0.191 19033 3804 1 14 . 1 1 29 29 ILE N N 29 118.126 118.126 116.096 2.030 19033 3805 1 14 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.598 -0.044 19033 3806 1 14 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.896 -3.348 19033 3807 1 14 . 1 1 29 29 ILE CB C 29 37.618 37.618 40.977 -3.359 19033 3808 1 14 . 1 1 29 29 ILE H H 29 8.060 8.060 8.329 -0.269 19033 3809 1 14 . 1 1 30 30 VAL N N 30 125.411 125.411 125.773 -0.362 19033 3810 1 14 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.994 -0.130 19033 3811 1 14 . 1 1 30 30 VAL CA C 30 59.874 59.874 61.951 -2.077 19033 3812 1 14 . 1 1 30 30 VAL CB C 30 29.863 29.863 32.055 -2.192 19033 3813 1 14 . 1 1 30 30 VAL H H 30 8.331 8.331 8.034 0.297 19033 3814 1 14 . 1 1 31 31 HIS N N 31 127.208 127.208 128.968 -1.760 19033 3815 1 14 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.672 0.026 19033 3816 1 14 . 1 1 31 31 HIS CA C 31 54.672 54.672 58.979 -4.307 19033 3817 1 14 . 1 1 31 31 HIS CB C 31 28.040 28.040 30.856 -2.816 19033 3818 1 14 . 1 1 31 31 HIS H H 31 9.289 9.289 8.623 0.666 19033 3819 1 14 . 1 1 32 32 ASN N N 32 112.446 112.446 115.461 -3.015 19033 3820 1 14 . 1 1 32 32 ASN HA H 32 4.950 4.950 5.026 -0.076 19033 3821 1 14 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.864 -2.192 19033 3822 1 14 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.971 -2.681 19033 3823 1 14 . 1 1 32 32 ASN H H 32 7.866 7.866 8.035 -0.169 19033 3824 1 14 . 1 1 33 33 GLU N N 33 123.553 123.553 120.843 2.710 19033 3825 1 14 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.673 -0.268 19033 3826 1 14 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.861 -1.757 19033 3827 1 14 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.841 -4.163 19033 3828 1 14 . 1 1 33 33 GLU H H 33 8.723 8.723 8.666 0.057 19033 3829 1 14 . 1 1 34 34 LEU N N 34 125.739 125.739 125.147 0.592 19033 3830 1 14 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.648 0.002 19033 3831 1 14 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.588 -2.244 19033 3832 1 14 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.700 -3.887 19033 3833 1 14 . 1 1 34 34 LEU H H 34 8.488 8.488 8.222 0.266 19033 3834 1 14 . 1 1 35 35 GLU N N 35 117.915 117.915 119.775 -1.860 19033 3835 1 14 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.646 -0.357 19033 3836 1 14 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.383 -1.951 19033 3837 1 14 . 1 1 35 35 GLU CB C 35 27.756 27.756 29.909 -2.153 19033 3838 1 14 . 1 1 35 35 GLU H H 35 8.174 8.174 8.541 -0.367 19033 3839 1 14 . 1 1 36 36 ASP N N 36 116.640 116.640 119.870 -3.230 19033 3840 1 14 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.785 -0.422 19033 3841 1 14 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.590 -2.198 19033 3842 1 14 . 1 1 36 36 ASP CB C 36 37.268 37.268 41.211 -3.943 19033 3843 1 14 . 1 1 36 36 ASP H H 36 8.755 8.755 8.274 0.481 19033 3844 1 14 . 1 1 37 37 GLY N N 37 104.775 104.775 106.248 -1.473 19033 3845 1 14 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.439 -2.373 19033 3846 1 14 . 1 1 37 37 GLY H H 37 8.235 8.235 8.509 -0.274 19033 3847 1 14 . 1 1 38 38 TRP N N 38 119.789 119.789 119.562 0.227 19033 3848 1 14 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.400 -0.448 19033 3849 1 14 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.179 -0.490 19033 3850 1 14 . 1 1 38 38 TRP CB C 38 28.348 28.348 32.560 -4.212 19033 3851 1 14 . 1 1 38 38 TRP H H 38 7.331 7.331 7.531 -0.200 19033 3852 1 14 . 1 1 39 39 MET N N 39 118.460 118.460 117.638 0.822 19033 3853 1 14 . 1 1 39 39 MET HA H 39 4.941 4.941 4.961 -0.020 19033 3854 1 14 . 1 1 39 39 MET CA C 39 52.194 52.194 54.959 -2.764 19033 3855 1 14 . 1 1 39 39 MET CB C 39 35.101 35.101 36.837 -1.736 19033 3856 1 14 . 1 1 39 39 MET H H 39 9.330 9.330 9.071 0.259 19033 3857 1 14 . 1 1 40 40 TRP N N 40 123.201 123.201 126.728 -3.527 19033 3858 1 14 . 1 1 40 40 TRP HA H 40 5.068 5.068 4.974 0.094 19033 3859 1 14 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.662 -4.341 19033 3860 1 14 . 1 1 40 40 TRP CB C 40 27.857 27.857 30.860 -3.003 19033 3861 1 14 . 1 1 40 40 TRP H H 40 8.777 8.777 8.531 0.246 19033 3862 1 14 . 1 1 41 41 VAL N N 41 120.754 120.754 120.138 0.616 19033 3863 1 14 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.371 0.076 19033 3864 1 14 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.114 -2.403 19033 3865 1 14 . 1 1 41 41 VAL CB C 41 34.428 34.428 34.615 -0.188 19033 3866 1 14 . 1 1 41 41 VAL H H 41 8.755 8.755 8.727 0.028 19033 3867 1 14 . 1 1 42 42 THR N N 42 112.967 112.967 114.352 -1.385 19033 3868 1 14 . 1 1 42 42 THR HA H 42 4.999 4.999 4.835 0.164 19033 3869 1 14 . 1 1 42 42 THR CA C 42 59.763 59.763 61.998 -2.235 19033 3870 1 14 . 1 1 42 42 THR CB C 42 68.696 68.696 71.639 -2.943 19033 3871 1 14 . 1 1 42 42 THR H H 42 8.142 8.142 8.328 -0.186 19033 3872 1 14 . 1 1 43 43 ASN N N 43 124.680 124.680 124.799 -0.119 19033 3873 1 14 . 1 1 43 43 ASN HA H 43 4.409 4.409 4.879 -0.470 19033 3874 1 14 . 1 1 43 43 ASN CA C 43 50.340 50.340 52.464 -2.123 19033 3875 1 14 . 1 1 43 43 ASN CB C 43 36.786 36.786 38.539 -1.753 19033 3876 1 14 . 1 1 43 43 ASN H H 43 8.848 8.848 9.082 -0.234 19033 3877 1 14 . 1 1 44 44 LEU N N 44 126.753 126.753 124.749 2.004 19033 3878 1 14 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.031 0.018 19033 3879 1 14 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.664 -2.409 19033 3880 1 14 . 1 1 44 44 LEU CB C 44 38.647 38.647 40.974 -2.327 19033 3881 1 14 . 1 1 44 44 LEU H H 44 8.841 8.841 8.073 0.768 19033 3882 1 14 . 1 1 45 45 ARG N N 45 119.154 119.154 118.759 0.395 19033 3883 1 14 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.057 0.098 19033 3884 1 14 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.633 -2.313 19033 3885 1 14 . 1 1 45 45 ARG CB C 45 27.552 27.552 30.555 -3.002 19033 3886 1 14 . 1 1 45 45 ARG H H 45 8.452 8.452 7.952 0.500 19033 3887 1 14 . 1 1 46 46 THR N N 46 105.128 105.128 109.153 -4.025 19033 3888 1 14 . 1 1 46 46 THR HA H 46 4.180 4.180 4.413 -0.233 19033 3889 1 14 . 1 1 46 46 THR CA C 46 58.368 58.368 62.166 -3.798 19033 3890 1 14 . 1 1 46 46 THR CB C 46 67.991 67.991 69.781 -1.790 19033 3891 1 14 . 1 1 46 46 THR H H 46 6.842 6.842 7.917 -1.075 19033 3892 1 14 . 1 1 47 47 ASP N N 47 120.147 120.147 120.530 -0.383 19033 3893 1 14 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.392 -0.119 19033 3894 1 14 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.685 -2.092 19033 3895 1 14 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.648 -2.900 19033 3896 1 14 . 1 1 47 47 ASP H H 47 8.650 8.650 8.302 0.348 19033 3897 1 14 . 1 1 48 48 GLU N N 48 117.574 117.574 119.643 -2.069 19033 3898 1 14 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.187 0.107 19033 3899 1 14 . 1 1 48 48 GLU CA C 48 53.743 53.743 56.861 -3.118 19033 3900 1 14 . 1 1 48 48 GLU CB C 48 29.503 29.503 29.669 -0.166 19033 3901 1 14 . 1 1 48 48 GLU H H 48 7.454 7.454 7.895 -0.441 19033 3902 1 14 . 1 1 49 49 GLN N N 49 119.154 119.154 124.005 -4.851 19033 3903 1 14 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.330 1.319 19033 3904 1 14 . 1 1 49 49 GLN CA C 49 50.614 50.614 56.557 -5.943 19033 3905 1 14 . 1 1 49 49 GLN CB C 49 29.447 29.447 30.082 -0.635 19033 3906 1 14 . 1 1 49 49 GLN H H 49 8.314 8.314 8.487 -0.173 19033 3907 1 14 . 1 1 50 50 GLY N N 50 108.506 108.506 106.304 2.202 19033 3908 1 14 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.141 -1.885 19033 3909 1 14 . 1 1 50 50 GLY H H 50 7.795 7.795 7.714 0.081 19033 3910 1 14 . 1 1 51 51 LEU N N 51 119.484 119.484 120.758 -1.274 19033 3911 1 14 . 1 1 51 51 LEU HA H 51 5.378 5.378 4.983 0.395 19033 3912 1 14 . 1 1 51 51 LEU CA C 51 51.274 51.274 53.737 -2.463 19033 3913 1 14 . 1 1 51 51 LEU CB C 51 43.574 43.574 44.718 -1.144 19033 3914 1 14 . 1 1 51 51 LEU H H 51 7.748 7.748 7.745 0.003 19033 3915 1 14 . 1 1 52 52 ILE N N 52 114.127 114.127 116.459 -2.332 19033 3916 1 14 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.780 -0.135 19033 3917 1 14 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.508 -2.168 19033 3918 1 14 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.392 -1.486 19033 3919 1 14 . 1 1 52 52 ILE H H 52 8.802 8.802 8.455 0.347 19033 3920 1 14 . 1 1 53 53 VAL N N 53 120.370 120.370 122.405 -2.035 19033 3921 1 14 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.636 0.382 19033 3922 1 14 . 1 1 53 53 VAL CA C 53 56.467 56.467 60.422 -3.955 19033 3923 1 14 . 1 1 53 53 VAL CB C 53 30.327 30.327 32.754 -2.427 19033 3924 1 14 . 1 1 53 53 VAL H H 53 7.495 7.495 8.066 -0.571 19033 3925 1 14 . 1 1 54 54 GLU N N 54 122.759 122.759 127.695 -4.936 19033 3926 1 14 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.913 -0.323 19033 3927 1 14 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.535 -2.971 19033 3928 1 14 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.198 -2.772 19033 3929 1 14 . 1 1 54 54 GLU H H 54 8.104 8.104 8.492 -0.388 19033 3930 1 14 . 1 1 55 55 ASP N N 55 114.708 114.708 120.794 -6.086 19033 3931 1 14 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.349 -0.145 19033 3932 1 14 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.544 -3.258 19033 3933 1 14 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.769 -2.654 19033 3934 1 14 . 1 1 55 55 ASP H H 55 7.394 7.394 8.386 -0.992 19033 3935 1 14 . 1 1 56 56 LEU N N 56 116.100 116.100 118.085 -1.985 19033 3936 1 14 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.721 -0.323 19033 3937 1 14 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.248 -2.349 19033 3938 1 14 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.251 -3.687 19033 3939 1 14 . 1 1 56 56 LEU H H 56 7.121 7.121 7.408 -0.287 19033 3940 1 14 . 1 1 57 57 VAL N N 57 109.850 109.850 114.776 -4.926 19033 3941 1 14 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.113 0.268 19033 3942 1 14 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.468 -2.908 19033 3943 1 14 . 1 1 57 57 VAL CB C 57 33.744 33.744 34.862 -1.118 19033 3944 1 14 . 1 1 57 57 VAL H H 57 7.438 7.438 7.264 0.174 19033 3945 1 14 . 1 1 58 58 GLU N N 58 116.558 116.558 121.234 -4.676 19033 3946 1 14 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.659 0.176 19033 3947 1 14 . 1 1 58 58 GLU CA C 58 50.156 50.156 53.980 -3.824 19033 3948 1 14 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.831 -2.477 19033 3949 1 14 . 1 1 58 58 GLU H H 58 8.886 8.886 9.012 -0.126 19033 3950 1 14 . 1 1 59 59 GLU N N 59 121.900 121.900 123.648 -1.748 19033 3951 1 14 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.234 -0.005 19033 3952 1 14 . 1 1 59 59 GLU CA C 59 54.417 54.417 56.779 -2.362 19033 3953 1 14 . 1 1 59 59 GLU CB C 59 27.517 27.517 29.263 -1.746 19033 3954 1 14 . 1 1 59 59 GLU H H 59 8.659 8.659 8.640 0.019 19033 3955 1 14 . 1 1 60 60 VAL N N 60 122.505 122.505 124.550 -2.045 19033 3956 1 14 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.176 -0.089 19033 3957 1 14 . 1 1 60 60 VAL CA C 60 59.466 59.466 61.745 -2.279 19033 3958 1 14 . 1 1 60 60 VAL CB C 60 30.306 30.306 33.121 -2.815 19033 3959 1 14 . 1 1 60 60 VAL H H 60 8.069 8.069 7.749 0.320 19033 3960 1 14 . 1 1 61 61 GLY N N 61 112.799 112.799 113.371 -0.572 19033 3961 1 14 . 1 1 61 61 GLY CA C 61 42.709 42.709 44.530 -1.821 19033 3962 1 14 . 1 1 61 61 GLY H H 61 8.383 8.383 8.509 -0.126 19033 3963 1 15 . 1 1 3 3 ARG N N 3 123.172 123.172 116.431 6.741 19033 3964 1 15 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.516 -0.218 19033 3965 1 15 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.906 -0.729 19033 3966 1 15 . 1 1 3 3 ARG CB C 3 29.313 29.313 29.392 -0.079 19033 3967 1 15 . 1 1 3 3 ARG H H 3 8.600 8.600 8.365 0.235 19033 3968 1 15 . 1 1 4 4 ARG N N 4 122.811 122.811 120.493 2.318 19033 3969 1 15 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.494 0.951 19033 3970 1 15 . 1 1 4 4 ARG CA C 4 51.948 51.948 56.630 -4.682 19033 3971 1 15 . 1 1 4 4 ARG CB C 4 30.814 30.814 31.129 -0.315 19033 3972 1 15 . 1 1 4 4 ARG H H 4 8.458 8.458 8.039 0.419 19033 3973 1 15 . 1 1 5 5 VAL N N 5 112.133 112.133 115.481 -3.348 19033 3974 1 15 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.090 -0.006 19033 3975 1 15 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.057 -3.163 19033 3976 1 15 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.940 -2.326 19033 3977 1 15 . 1 1 5 5 VAL H H 5 8.173 8.173 7.911 0.262 19033 3978 1 15 . 1 1 6 6 ARG N N 6 120.981 120.981 122.642 -1.661 19033 3979 1 15 . 1 1 6 6 ARG HA H 6 5.615 5.615 5.028 0.587 19033 3980 1 15 . 1 1 6 6 ARG CA C 6 50.883 50.883 53.947 -3.064 19033 3981 1 15 . 1 1 6 6 ARG CB C 6 32.664 32.664 33.785 -1.121 19033 3982 1 15 . 1 1 6 6 ARG H H 6 9.102 9.102 8.981 0.121 19033 3983 1 15 . 1 1 7 7 ALA N N 7 127.309 127.309 129.503 -2.194 19033 3984 1 15 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.958 -0.133 19033 3985 1 15 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.239 -1.229 19033 3986 1 15 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.560 -2.000 19033 3987 1 15 . 1 1 7 7 ALA H H 7 9.300 9.300 8.688 0.612 19033 3988 1 15 . 1 1 8 8 ILE N N 8 119.944 119.944 115.686 4.258 19033 3989 1 15 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.540 -0.247 19033 3990 1 15 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.565 -1.492 19033 3991 1 15 . 1 1 8 8 ILE CB C 8 36.125 36.125 37.992 -1.867 19033 3992 1 15 . 1 1 8 8 ILE H H 8 9.095 9.095 8.744 0.351 19033 3993 1 15 . 1 1 9 9 LEU N N 9 123.267 123.267 121.396 1.871 19033 3994 1 15 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.993 -0.444 19033 3995 1 15 . 1 1 9 9 LEU CA C 9 49.936 49.936 51.920 -1.984 19033 3996 1 15 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.258 -0.376 19033 3997 1 15 . 1 1 9 9 LEU H H 9 7.738 7.738 7.690 0.048 19033 3998 1 15 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.747 -0.213 19033 3999 1 15 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.242 -3.096 19033 4000 1 15 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.761 -2.396 19033 4001 1 15 . 1 1 11 11 TYR N N 11 117.178 117.178 118.066 -0.888 19033 4002 1 15 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.476 -0.406 19033 4003 1 15 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.427 -1.124 19033 4004 1 15 . 1 1 11 11 TYR CB C 11 39.864 39.864 41.961 -2.096 19033 4005 1 15 . 1 1 11 11 TYR H H 11 7.754 7.754 8.766 -1.012 19033 4006 1 15 . 1 1 12 12 THR N N 12 125.004 125.004 120.156 4.848 19033 4007 1 15 . 1 1 12 12 THR HA H 12 4.224 4.224 4.485 -0.261 19033 4008 1 15 . 1 1 12 12 THR CA C 12 57.833 57.833 61.463 -3.630 19033 4009 1 15 . 1 1 12 12 THR CB C 12 66.962 66.962 69.326 -2.364 19033 4010 1 15 . 1 1 12 12 THR H H 12 7.149 7.149 7.741 -0.592 19033 4011 1 15 . 1 1 13 13 LYS N N 13 123.175 123.175 126.286 -3.111 19033 4012 1 15 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.577 -0.429 19033 4013 1 15 . 1 1 13 13 LYS CA C 13 52.749 52.749 56.312 -3.563 19033 4014 1 15 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.177 -2.827 19033 4015 1 15 . 1 1 13 13 LYS H H 13 8.121 8.121 8.369 -0.248 19033 4016 1 15 . 1 1 14 14 VAL N N 14 126.091 126.091 120.400 5.691 19033 4017 1 15 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.263 -0.215 19033 4018 1 15 . 1 1 14 14 VAL CA C 14 58.059 58.059 60.157 -2.098 19033 4019 1 15 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.120 -1.726 19033 4020 1 15 . 1 1 14 14 VAL H H 14 8.061 8.061 8.790 -0.729 19033 4021 1 15 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.448 -0.328 19033 4022 1 15 . 1 1 15 15 PRO CA C 15 61.050 61.050 62.755 -1.705 19033 4023 1 15 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.247 -2.552 19033 4024 1 15 . 1 1 16 16 ASP N N 16 115.188 115.188 116.499 -1.311 19033 4025 1 15 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.423 -0.136 19033 4026 1 15 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.211 -2.022 19033 4027 1 15 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.004 -3.693 19033 4028 1 15 . 1 1 16 16 ASP H H 16 8.808 8.808 9.000 -0.192 19033 4029 1 15 . 1 1 17 17 THR N N 17 106.185 106.185 108.454 -2.269 19033 4030 1 15 . 1 1 17 17 THR HA H 17 4.704 4.704 4.563 0.141 19033 4031 1 15 . 1 1 17 17 THR CA C 17 58.069 58.069 59.754 -1.685 19033 4032 1 15 . 1 1 17 17 THR CB C 17 70.764 70.764 71.208 -0.444 19033 4033 1 15 . 1 1 17 17 THR H H 17 7.264 7.264 7.220 0.044 19033 4034 1 15 . 1 1 18 18 ASP N N 18 117.426 117.426 119.631 -2.205 19033 4035 1 15 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.648 0.315 19033 4036 1 15 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.847 -2.927 19033 4037 1 15 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.745 -2.686 19033 4038 1 15 . 1 1 18 18 ASP H H 18 8.855 8.855 8.690 0.165 19033 4039 1 15 . 1 1 19 19 GLU N N 19 119.666 119.666 118.598 1.068 19033 4040 1 15 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.238 0.456 19033 4041 1 15 . 1 1 19 19 GLU CA C 19 54.515 54.515 57.444 -2.929 19033 4042 1 15 . 1 1 19 19 GLU CB C 19 29.535 29.535 30.616 -1.081 19033 4043 1 15 . 1 1 19 19 GLU H H 19 7.603 7.603 7.313 0.290 19033 4044 1 15 . 1 1 20 20 ILE N N 20 109.127 109.127 116.286 -7.159 19033 4045 1 15 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.632 0.221 19033 4046 1 15 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.581 -3.324 19033 4047 1 15 . 1 1 20 20 ILE CB C 20 38.401 38.401 41.083 -2.682 19033 4048 1 15 . 1 1 20 20 ILE H H 20 6.909 6.909 7.891 -0.982 19033 4049 1 15 . 1 1 21 21 SER N N 21 117.834 117.834 119.080 -1.246 19033 4050 1 15 . 1 1 21 21 SER HA H 21 4.796 4.796 4.765 0.031 19033 4051 1 15 . 1 1 21 21 SER CA C 21 54.907 54.907 58.002 -3.095 19033 4052 1 15 . 1 1 21 21 SER CB C 21 61.426 61.426 64.588 -3.163 19033 4053 1 15 . 1 1 21 21 SER H H 21 8.738 8.738 8.578 0.160 19033 4054 1 15 . 1 1 22 22 PHE N N 22 116.177 116.177 113.832 2.345 19033 4055 1 15 . 1 1 22 22 PHE HA H 22 4.665 4.665 4.946 -0.281 19033 4056 1 15 . 1 1 22 22 PHE CA C 22 53.807 53.807 56.852 -3.046 19033 4057 1 15 . 1 1 22 22 PHE CB C 22 38.324 38.324 40.296 -1.972 19033 4058 1 15 . 1 1 22 22 PHE H H 22 8.860 8.860 7.650 1.210 19033 4059 1 15 . 1 1 23 23 LEU N N 23 121.283 121.283 119.508 1.775 19033 4060 1 15 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.764 -0.153 19033 4061 1 15 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.513 -3.560 19033 4062 1 15 . 1 1 23 23 LEU CB C 23 41.634 41.634 45.702 -4.068 19033 4063 1 15 . 1 1 23 23 LEU H H 23 8.681 8.681 8.716 -0.035 19033 4064 1 15 . 1 1 24 24 LYS N N 24 119.660 119.660 121.319 -1.659 19033 4065 1 15 . 1 1 24 24 LYS HA H 24 3.322 3.322 4.080 -0.758 19033 4066 1 15 . 1 1 24 24 LYS CA C 24 56.428 56.428 57.611 -1.183 19033 4067 1 15 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.246 -2.259 19033 4068 1 15 . 1 1 24 24 LYS H H 24 8.076 8.076 8.401 -0.325 19033 4069 1 15 . 1 1 25 25 GLY N N 25 115.402 115.402 115.463 -0.061 19033 4070 1 15 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.690 -2.377 19033 4071 1 15 . 1 1 25 25 GLY H H 25 8.569 8.569 8.551 0.018 19033 4072 1 15 . 1 1 26 26 ASP N N 26 122.287 122.287 120.007 2.280 19033 4073 1 15 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.847 -0.540 19033 4074 1 15 . 1 1 26 26 ASP CA C 26 53.273 53.273 53.438 -0.165 19033 4075 1 15 . 1 1 26 26 ASP CB C 26 37.932 37.932 43.983 -6.051 19033 4076 1 15 . 1 1 26 26 ASP H H 26 7.847 7.847 7.713 0.134 19033 4077 1 15 . 1 1 27 27 MET N N 27 119.570 119.570 118.700 0.870 19033 4078 1 15 . 1 1 27 27 MET HA H 27 5.070 5.070 4.779 0.291 19033 4079 1 15 . 1 1 27 27 MET CA C 27 50.485 50.485 54.861 -4.376 19033 4080 1 15 . 1 1 27 27 MET CB C 27 32.786 32.786 37.162 -4.376 19033 4081 1 15 . 1 1 27 27 MET H H 27 8.117 8.117 8.446 -0.329 19033 4082 1 15 . 1 1 28 28 PHE N N 28 116.911 116.911 119.589 -2.678 19033 4083 1 15 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.448 0.211 19033 4084 1 15 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.542 -3.305 19033 4085 1 15 . 1 1 28 28 PHE CB C 28 39.127 39.127 42.835 -3.708 19033 4086 1 15 . 1 1 28 28 PHE H H 28 8.909 8.909 8.889 0.020 19033 4087 1 15 . 1 1 29 29 ILE N N 29 118.126 118.126 117.240 0.886 19033 4088 1 15 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.677 -0.123 19033 4089 1 15 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.802 -3.254 19033 4090 1 15 . 1 1 29 29 ILE CB C 29 37.618 37.618 40.048 -2.430 19033 4091 1 15 . 1 1 29 29 ILE H H 29 8.060 8.060 8.259 -0.199 19033 4092 1 15 . 1 1 30 30 VAL N N 30 125.411 125.411 125.839 -0.428 19033 4093 1 15 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.880 -0.016 19033 4094 1 15 . 1 1 30 30 VAL CA C 30 59.874 59.874 64.179 -4.305 19033 4095 1 15 . 1 1 30 30 VAL CB C 30 29.863 29.863 31.840 -1.977 19033 4096 1 15 . 1 1 30 30 VAL H H 30 8.331 8.331 8.449 -0.118 19033 4097 1 15 . 1 1 31 31 HIS N N 31 127.208 127.208 127.734 -0.526 19033 4098 1 15 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.899 -0.201 19033 4099 1 15 . 1 1 31 31 HIS CA C 31 54.672 54.672 57.564 -2.892 19033 4100 1 15 . 1 1 31 31 HIS CB C 31 28.040 28.040 33.084 -5.045 19033 4101 1 15 . 1 1 31 31 HIS H H 31 9.289 9.289 9.087 0.202 19033 4102 1 15 . 1 1 32 32 ASN N N 32 112.446 112.446 116.603 -4.157 19033 4103 1 15 . 1 1 32 32 ASN HA H 32 4.950 4.950 5.035 -0.085 19033 4104 1 15 . 1 1 32 32 ASN CA C 32 50.672 50.672 53.007 -2.334 19033 4105 1 15 . 1 1 32 32 ASN CB C 32 39.290 39.290 42.107 -2.817 19033 4106 1 15 . 1 1 32 32 ASN H H 32 7.866 7.866 8.146 -0.280 19033 4107 1 15 . 1 1 33 33 GLU N N 33 123.553 123.553 120.530 3.023 19033 4108 1 15 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.716 -0.311 19033 4109 1 15 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.860 -1.756 19033 4110 1 15 . 1 1 33 33 GLU CB C 33 27.678 27.678 32.231 -4.553 19033 4111 1 15 . 1 1 33 33 GLU H H 33 8.723 8.723 8.672 0.051 19033 4112 1 15 . 1 1 34 34 LEU N N 34 125.739 125.739 123.853 1.886 19033 4113 1 15 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.750 -0.100 19033 4114 1 15 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.826 -2.482 19033 4115 1 15 . 1 1 34 34 LEU CB C 34 39.813 39.813 44.431 -4.618 19033 4116 1 15 . 1 1 34 34 LEU H H 34 8.488 8.488 8.273 0.215 19033 4117 1 15 . 1 1 35 35 GLU N N 35 117.915 117.915 120.083 -2.168 19033 4118 1 15 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.524 -0.235 19033 4119 1 15 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.740 -2.308 19033 4120 1 15 . 1 1 35 35 GLU CB C 35 27.756 27.756 30.092 -2.336 19033 4121 1 15 . 1 1 35 35 GLU H H 35 8.174 8.174 8.708 -0.534 19033 4122 1 15 . 1 1 36 36 ASP N N 36 116.640 116.640 118.086 -1.446 19033 4123 1 15 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.763 -0.400 19033 4124 1 15 . 1 1 36 36 ASP CA C 36 52.392 52.392 53.443 -1.051 19033 4125 1 15 . 1 1 36 36 ASP CB C 36 37.268 37.268 40.229 -2.961 19033 4126 1 15 . 1 1 36 36 ASP H H 36 8.755 8.755 8.098 0.657 19033 4127 1 15 . 1 1 37 37 GLY N N 37 104.775 104.775 106.242 -1.467 19033 4128 1 15 . 1 1 37 37 GLY CA C 37 43.066 43.066 44.957 -1.891 19033 4129 1 15 . 1 1 37 37 GLY H H 37 8.235 8.235 8.359 -0.124 19033 4130 1 15 . 1 1 38 38 TRP N N 38 119.789 119.789 120.229 -0.440 19033 4131 1 15 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.397 -0.445 19033 4132 1 15 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.719 -1.030 19033 4133 1 15 . 1 1 38 38 TRP CB C 38 28.348 28.348 32.171 -3.823 19033 4134 1 15 . 1 1 38 38 TRP H H 38 7.331 7.331 7.579 -0.248 19033 4135 1 15 . 1 1 39 39 MET N N 39 118.460 118.460 117.113 1.347 19033 4136 1 15 . 1 1 39 39 MET HA H 39 4.941 4.941 4.986 -0.045 19033 4137 1 15 . 1 1 39 39 MET CA C 39 52.194 52.194 54.826 -2.632 19033 4138 1 15 . 1 1 39 39 MET CB C 39 35.101 35.101 37.404 -2.303 19033 4139 1 15 . 1 1 39 39 MET H H 39 9.330 9.330 8.993 0.337 19033 4140 1 15 . 1 1 40 40 TRP N N 40 123.201 123.201 124.978 -1.777 19033 4141 1 15 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.025 0.043 19033 4142 1 15 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.344 -4.023 19033 4143 1 15 . 1 1 40 40 TRP CB C 40 27.857 27.857 31.199 -3.342 19033 4144 1 15 . 1 1 40 40 TRP H H 40 8.777 8.777 8.496 0.281 19033 4145 1 15 . 1 1 41 41 VAL N N 41 120.754 120.754 117.011 3.743 19033 4146 1 15 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.522 -0.075 19033 4147 1 15 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.157 -2.446 19033 4148 1 15 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.455 -1.027 19033 4149 1 15 . 1 1 41 41 VAL H H 41 8.755 8.755 8.357 0.398 19033 4150 1 15 . 1 1 42 42 THR N N 42 112.967 112.967 114.953 -1.986 19033 4151 1 15 . 1 1 42 42 THR HA H 42 4.999 4.999 4.965 0.034 19033 4152 1 15 . 1 1 42 42 THR CA C 42 59.763 59.763 61.549 -1.786 19033 4153 1 15 . 1 1 42 42 THR CB C 42 68.696 68.696 71.037 -2.341 19033 4154 1 15 . 1 1 42 42 THR H H 42 8.142 8.142 8.279 -0.137 19033 4155 1 15 . 1 1 43 43 ASN N N 43 124.680 124.680 123.232 1.448 19033 4156 1 15 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.018 -0.609 19033 4157 1 15 . 1 1 43 43 ASN CA C 43 50.340 50.340 51.784 -1.444 19033 4158 1 15 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.294 -2.508 19033 4159 1 15 . 1 1 43 43 ASN H H 43 8.848 8.848 9.083 -0.235 19033 4160 1 15 . 1 1 44 44 LEU N N 44 126.753 126.753 126.884 -0.131 19033 4161 1 15 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.404 -0.355 19033 4162 1 15 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.195 -1.940 19033 4163 1 15 . 1 1 44 44 LEU CB C 44 38.647 38.647 40.924 -2.277 19033 4164 1 15 . 1 1 44 44 LEU H H 44 8.841 8.841 8.262 0.579 19033 4165 1 15 . 1 1 45 45 ARG N N 45 119.154 119.154 121.062 -1.908 19033 4166 1 15 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.113 0.042 19033 4167 1 15 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.604 -2.285 19033 4168 1 15 . 1 1 45 45 ARG CB C 45 27.552 27.552 30.934 -3.382 19033 4169 1 15 . 1 1 45 45 ARG H H 45 8.452 8.452 8.167 0.285 19033 4170 1 15 . 1 1 46 46 THR N N 46 105.128 105.128 105.100 0.028 19033 4171 1 15 . 1 1 46 46 THR HA H 46 4.180 4.180 4.448 -0.268 19033 4172 1 15 . 1 1 46 46 THR CA C 46 58.368 58.368 61.680 -3.312 19033 4173 1 15 . 1 1 46 46 THR CB C 46 67.991 67.991 71.401 -3.410 19033 4174 1 15 . 1 1 46 46 THR H H 46 6.842 6.842 7.661 -0.819 19033 4175 1 15 . 1 1 47 47 ASP N N 47 120.147 120.147 121.181 -1.034 19033 4176 1 15 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.336 -0.063 19033 4177 1 15 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.718 -2.125 19033 4178 1 15 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.317 -2.569 19033 4179 1 15 . 1 1 47 47 ASP H H 47 8.650 8.650 8.439 0.211 19033 4180 1 15 . 1 1 48 48 GLU N N 48 117.574 117.574 119.919 -2.345 19033 4181 1 15 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.135 0.159 19033 4182 1 15 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.124 -3.381 19033 4183 1 15 . 1 1 48 48 GLU CB C 48 29.503 29.503 29.960 -0.457 19033 4184 1 15 . 1 1 48 48 GLU H H 48 7.454 7.454 7.709 -0.255 19033 4185 1 15 . 1 1 49 49 GLN N N 49 119.154 119.154 123.613 -4.459 19033 4186 1 15 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.800 0.849 19033 4187 1 15 . 1 1 49 49 GLN CA C 49 50.614 50.614 55.885 -5.271 19033 4188 1 15 . 1 1 49 49 GLN CB C 49 29.447 29.447 30.841 -1.394 19033 4189 1 15 . 1 1 49 49 GLN H H 49 8.314 8.314 8.493 -0.179 19033 4190 1 15 . 1 1 50 50 GLY N N 50 108.506 108.506 106.786 1.720 19033 4191 1 15 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.287 -2.032 19033 4192 1 15 . 1 1 50 50 GLY H H 50 7.795 7.795 7.744 0.051 19033 4193 1 15 . 1 1 51 51 LEU N N 51 119.484 119.484 120.758 -1.274 19033 4194 1 15 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.148 0.230 19033 4195 1 15 . 1 1 51 51 LEU CA C 51 51.274 51.274 54.215 -2.941 19033 4196 1 15 . 1 1 51 51 LEU CB C 51 43.574 43.574 43.138 0.436 19033 4197 1 15 . 1 1 51 51 LEU H H 51 7.748 7.748 7.785 -0.037 19033 4198 1 15 . 1 1 52 52 ILE N N 52 114.127 114.127 116.319 -2.192 19033 4199 1 15 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.645 0.000 19033 4200 1 15 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.669 -2.329 19033 4201 1 15 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.178 -1.272 19033 4202 1 15 . 1 1 52 52 ILE H H 52 8.802 8.802 8.482 0.320 19033 4203 1 15 . 1 1 53 53 VAL N N 53 120.370 120.370 122.141 -1.771 19033 4204 1 15 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.887 0.131 19033 4205 1 15 . 1 1 53 53 VAL CA C 53 56.467 56.467 59.642 -3.175 19033 4206 1 15 . 1 1 53 53 VAL CB C 53 30.327 30.327 33.662 -3.335 19033 4207 1 15 . 1 1 53 53 VAL H H 53 7.495 7.495 7.935 -0.440 19033 4208 1 15 . 1 1 54 54 GLU N N 54 122.759 122.759 126.967 -4.208 19033 4209 1 15 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.919 -0.329 19033 4210 1 15 . 1 1 54 54 GLU CA C 54 55.564 55.564 59.054 -3.490 19033 4211 1 15 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.219 -2.793 19033 4212 1 15 . 1 1 54 54 GLU H H 54 8.104 8.104 8.784 -0.680 19033 4213 1 15 . 1 1 55 55 ASP N N 55 114.708 114.708 118.897 -4.189 19033 4214 1 15 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.420 -0.216 19033 4215 1 15 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.371 -3.085 19033 4216 1 15 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.547 -2.432 19033 4217 1 15 . 1 1 55 55 ASP H H 55 7.394 7.394 8.323 -0.929 19033 4218 1 15 . 1 1 56 56 LEU N N 56 116.100 116.100 117.493 -1.393 19033 4219 1 15 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.702 -0.304 19033 4220 1 15 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.339 -2.440 19033 4221 1 15 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.898 -4.333 19033 4222 1 15 . 1 1 56 56 LEU H H 56 7.121 7.121 7.319 -0.198 19033 4223 1 15 . 1 1 57 57 VAL N N 57 109.850 109.850 115.008 -5.158 19033 4224 1 15 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.133 0.248 19033 4225 1 15 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.649 -3.089 19033 4226 1 15 . 1 1 57 57 VAL CB C 57 33.744 33.744 34.918 -1.174 19033 4227 1 15 . 1 1 57 57 VAL H H 57 7.438 7.438 7.442 -0.004 19033 4228 1 15 . 1 1 58 58 GLU N N 58 116.558 116.558 121.124 -4.566 19033 4229 1 15 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.663 0.172 19033 4230 1 15 . 1 1 58 58 GLU CA C 58 50.156 50.156 53.891 -3.735 19033 4231 1 15 . 1 1 58 58 GLU CB C 58 30.354 30.354 33.192 -2.838 19033 4232 1 15 . 1 1 58 58 GLU H H 58 8.886 8.886 8.965 -0.079 19033 4233 1 15 . 1 1 59 59 GLU N N 59 121.900 121.900 123.685 -1.785 19033 4234 1 15 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.179 0.050 19033 4235 1 15 . 1 1 59 59 GLU CA C 59 54.417 54.417 57.465 -3.048 19033 4236 1 15 . 1 1 59 59 GLU CB C 59 27.517 27.517 29.394 -1.877 19033 4237 1 15 . 1 1 59 59 GLU H H 59 8.659 8.659 8.671 -0.012 19033 4238 1 15 . 1 1 60 60 VAL N N 60 122.505 122.505 127.154 -4.649 19033 4239 1 15 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.297 -0.210 19033 4240 1 15 . 1 1 60 60 VAL CA C 60 59.466 59.466 60.293 -0.827 19033 4241 1 15 . 1 1 60 60 VAL CB C 60 30.306 30.306 33.493 -3.187 19033 4242 1 15 . 1 1 60 60 VAL H H 60 8.069 8.069 7.704 0.365 19033 4243 1 15 . 1 1 61 61 GLY N N 61 112.799 112.799 113.184 -0.385 19033 4244 1 15 . 1 1 61 61 GLY CA C 61 42.709 42.709 44.770 -2.061 19033 4245 1 15 . 1 1 61 61 GLY H H 61 8.383 8.383 8.717 -0.334 19033 4246 1 16 . 1 1 3 3 ARG N N 3 123.172 123.172 121.718 1.454 19033 4247 1 16 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.545 -0.247 19033 4248 1 16 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.607 -0.430 19033 4249 1 16 . 1 1 3 3 ARG CB C 3 29.313 29.313 32.359 -3.046 19033 4250 1 16 . 1 1 3 3 ARG H H 3 8.600 8.600 8.444 0.156 19033 4251 1 16 . 1 1 4 4 ARG N N 4 122.811 122.811 118.772 4.039 19033 4252 1 16 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.806 0.639 19033 4253 1 16 . 1 1 4 4 ARG CA C 4 51.948 51.948 55.467 -3.519 19033 4254 1 16 . 1 1 4 4 ARG CB C 4 30.814 30.814 33.982 -3.168 19033 4255 1 16 . 1 1 4 4 ARG H H 4 8.458 8.458 8.539 -0.081 19033 4256 1 16 . 1 1 5 5 VAL N N 5 112.133 112.133 115.043 -2.910 19033 4257 1 16 . 1 1 5 5 VAL HA H 5 5.084 5.084 4.927 0.157 19033 4258 1 16 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.259 -3.365 19033 4259 1 16 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.660 -2.046 19033 4260 1 16 . 1 1 5 5 VAL H H 5 8.173 8.173 8.740 -0.567 19033 4261 1 16 . 1 1 6 6 ARG N N 6 120.981 120.981 120.351 0.630 19033 4262 1 16 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.733 0.882 19033 4263 1 16 . 1 1 6 6 ARG CA C 6 50.883 50.883 54.888 -4.005 19033 4264 1 16 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.217 -1.553 19033 4265 1 16 . 1 1 6 6 ARG H H 6 9.102 9.102 8.634 0.468 19033 4266 1 16 . 1 1 7 7 ALA N N 7 127.309 127.309 130.209 -2.900 19033 4267 1 16 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.775 0.050 19033 4268 1 16 . 1 1 7 7 ALA CA C 7 50.010 50.010 52.495 -2.485 19033 4269 1 16 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.038 -1.478 19033 4270 1 16 . 1 1 7 7 ALA H H 7 9.300 9.300 9.124 0.176 19033 4271 1 16 . 1 1 8 8 ILE N N 8 119.944 119.944 117.812 2.132 19033 4272 1 16 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.655 -0.362 19033 4273 1 16 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.763 -1.690 19033 4274 1 16 . 1 1 8 8 ILE CB C 8 36.125 36.125 38.298 -2.173 19033 4275 1 16 . 1 1 8 8 ILE H H 8 9.095 9.095 8.849 0.246 19033 4276 1 16 . 1 1 9 9 LEU N N 9 123.267 123.267 121.034 2.233 19033 4277 1 16 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.917 -0.368 19033 4278 1 16 . 1 1 9 9 LEU CA C 9 49.936 49.936 51.880 -1.944 19033 4279 1 16 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.199 -0.317 19033 4280 1 16 . 1 1 9 9 LEU H H 9 7.738 7.738 7.579 0.159 19033 4281 1 16 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.904 -0.370 19033 4282 1 16 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.423 -3.277 19033 4283 1 16 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.650 -2.285 19033 4284 1 16 . 1 1 11 11 TYR N N 11 117.178 117.178 121.967 -4.789 19033 4285 1 16 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.827 -0.757 19033 4286 1 16 . 1 1 11 11 TYR CA C 11 56.303 56.303 56.770 -0.467 19033 4287 1 16 . 1 1 11 11 TYR CB C 11 39.864 39.864 41.944 -2.080 19033 4288 1 16 . 1 1 11 11 TYR H H 11 7.754 7.754 8.743 -0.989 19033 4289 1 16 . 1 1 12 12 THR N N 12 125.004 125.004 116.476 8.528 19033 4290 1 16 . 1 1 12 12 THR HA H 12 4.224 4.224 4.358 -0.134 19033 4291 1 16 . 1 1 12 12 THR CA C 12 57.833 57.833 60.290 -2.457 19033 4292 1 16 . 1 1 12 12 THR CB C 12 66.962 66.962 69.994 -3.032 19033 4293 1 16 . 1 1 12 12 THR H H 12 7.149 7.149 6.884 0.265 19033 4294 1 16 . 1 1 13 13 LYS N N 13 123.175 123.175 126.127 -2.952 19033 4295 1 16 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.439 -0.291 19033 4296 1 16 . 1 1 13 13 LYS CA C 13 52.749 52.749 55.975 -3.226 19033 4297 1 16 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.087 -2.737 19033 4298 1 16 . 1 1 13 13 LYS H H 13 8.121 8.121 8.079 0.042 19033 4299 1 16 . 1 1 14 14 VAL N N 14 126.091 126.091 123.384 2.707 19033 4300 1 16 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.094 -0.046 19033 4301 1 16 . 1 1 14 14 VAL CA C 14 58.059 58.059 61.067 -3.008 19033 4302 1 16 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.313 -1.919 19033 4303 1 16 . 1 1 14 14 VAL H H 14 8.061 8.061 8.757 -0.696 19033 4304 1 16 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.451 -0.331 19033 4305 1 16 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.934 -2.884 19033 4306 1 16 . 1 1 15 15 PRO CB C 15 29.695 29.695 31.853 -2.158 19033 4307 1 16 . 1 1 16 16 ASP N N 16 115.188 115.188 118.737 -3.549 19033 4308 1 16 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.395 -0.108 19033 4309 1 16 . 1 1 16 16 ASP CA C 16 53.189 53.189 54.870 -1.681 19033 4310 1 16 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.346 -4.035 19033 4311 1 16 . 1 1 16 16 ASP H H 16 8.808 8.808 8.699 0.109 19033 4312 1 16 . 1 1 17 17 THR N N 17 106.185 106.185 108.380 -2.195 19033 4313 1 16 . 1 1 17 17 THR HA H 17 4.704 4.704 4.674 0.030 19033 4314 1 16 . 1 1 17 17 THR CA C 17 58.069 58.069 59.686 -1.617 19033 4315 1 16 . 1 1 17 17 THR CB C 17 70.764 70.764 71.443 -0.679 19033 4316 1 16 . 1 1 17 17 THR H H 17 7.264 7.264 7.570 -0.306 19033 4317 1 16 . 1 1 18 18 ASP N N 18 117.426 117.426 119.475 -2.049 19033 4318 1 16 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.624 0.339 19033 4319 1 16 . 1 1 18 18 ASP CA C 18 51.920 51.920 55.029 -3.109 19033 4320 1 16 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.747 -2.688 19033 4321 1 16 . 1 1 18 18 ASP H H 18 8.855 8.855 8.714 0.141 19033 4322 1 16 . 1 1 19 19 GLU N N 19 119.666 119.666 119.327 0.339 19033 4323 1 16 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.331 0.363 19033 4324 1 16 . 1 1 19 19 GLU CA C 19 54.515 54.515 57.329 -2.814 19033 4325 1 16 . 1 1 19 19 GLU CB C 19 29.535 29.535 30.689 -1.154 19033 4326 1 16 . 1 1 19 19 GLU H H 19 7.603 7.603 7.387 0.216 19033 4327 1 16 . 1 1 20 20 ILE N N 20 109.127 109.127 115.423 -6.296 19033 4328 1 16 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.514 0.339 19033 4329 1 16 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.656 -3.399 19033 4330 1 16 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.457 -2.056 19033 4331 1 16 . 1 1 20 20 ILE H H 20 6.909 6.909 7.789 -0.880 19033 4332 1 16 . 1 1 21 21 SER N N 21 117.834 117.834 121.293 -3.459 19033 4333 1 16 . 1 1 21 21 SER HA H 21 4.796 4.796 4.496 0.300 19033 4334 1 16 . 1 1 21 21 SER CA C 21 54.907 54.907 57.720 -2.813 19033 4335 1 16 . 1 1 21 21 SER CB C 21 61.426 61.426 63.520 -2.094 19033 4336 1 16 . 1 1 21 21 SER H H 21 8.738 8.738 7.977 0.761 19033 4337 1 16 . 1 1 22 22 PHE N N 22 116.177 116.177 121.334 -5.157 19033 4338 1 16 . 1 1 22 22 PHE HA H 22 4.665 4.665 4.736 -0.071 19033 4339 1 16 . 1 1 22 22 PHE CA C 22 53.807 53.807 57.148 -3.341 19033 4340 1 16 . 1 1 22 22 PHE CB C 22 38.324 38.324 41.946 -3.622 19033 4341 1 16 . 1 1 22 22 PHE H H 22 8.860 8.860 8.415 0.445 19033 4342 1 16 . 1 1 23 23 LEU N N 23 121.283 121.283 120.705 0.578 19033 4343 1 16 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.755 -0.144 19033 4344 1 16 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.400 -3.447 19033 4345 1 16 . 1 1 23 23 LEU CB C 23 41.634 41.634 43.296 -1.662 19033 4346 1 16 . 1 1 23 23 LEU H H 23 8.681 8.681 8.934 -0.253 19033 4347 1 16 . 1 1 24 24 LYS N N 24 119.660 119.660 119.916 -0.256 19033 4348 1 16 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.913 -0.591 19033 4349 1 16 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.001 -1.573 19033 4350 1 16 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.738 -2.751 19033 4351 1 16 . 1 1 24 24 LYS H H 24 8.076 8.076 8.222 -0.146 19033 4352 1 16 . 1 1 25 25 GLY N N 25 115.402 115.402 113.919 1.483 19033 4353 1 16 . 1 1 25 25 GLY CA C 25 42.313 42.313 45.314 -3.001 19033 4354 1 16 . 1 1 25 25 GLY H H 25 8.569 8.569 8.751 -0.182 19033 4355 1 16 . 1 1 26 26 ASP N N 26 122.287 122.287 120.775 1.512 19033 4356 1 16 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.530 -0.223 19033 4357 1 16 . 1 1 26 26 ASP CA C 26 53.273 53.273 55.469 -2.196 19033 4358 1 16 . 1 1 26 26 ASP CB C 26 37.932 37.932 42.109 -4.177 19033 4359 1 16 . 1 1 26 26 ASP H H 26 7.847 7.847 7.616 0.231 19033 4360 1 16 . 1 1 27 27 MET N N 27 119.570 119.570 117.928 1.642 19033 4361 1 16 . 1 1 27 27 MET HA H 27 5.070 5.070 4.548 0.522 19033 4362 1 16 . 1 1 27 27 MET CA C 27 50.485 50.485 54.526 -4.040 19033 4363 1 16 . 1 1 27 27 MET CB C 27 32.786 32.786 36.281 -3.495 19033 4364 1 16 . 1 1 27 27 MET H H 27 8.117 8.117 7.838 0.279 19033 4365 1 16 . 1 1 28 28 PHE N N 28 116.911 116.911 119.897 -2.986 19033 4366 1 16 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.706 -0.047 19033 4367 1 16 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.801 -3.564 19033 4368 1 16 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.715 -4.588 19033 4369 1 16 . 1 1 28 28 PHE H H 28 8.909 8.909 9.066 -0.157 19033 4370 1 16 . 1 1 29 29 ILE N N 29 118.126 118.126 117.593 0.533 19033 4371 1 16 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.795 -0.241 19033 4372 1 16 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.685 -3.138 19033 4373 1 16 . 1 1 29 29 ILE CB C 29 37.618 37.618 41.038 -3.420 19033 4374 1 16 . 1 1 29 29 ILE H H 29 8.060 8.060 8.814 -0.754 19033 4375 1 16 . 1 1 30 30 VAL N N 30 125.411 125.411 125.250 0.161 19033 4376 1 16 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.919 -0.055 19033 4377 1 16 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.733 -3.859 19033 4378 1 16 . 1 1 30 30 VAL CB C 30 29.863 29.863 31.812 -1.949 19033 4379 1 16 . 1 1 30 30 VAL H H 30 8.331 8.331 8.409 -0.078 19033 4380 1 16 . 1 1 31 31 HIS N N 31 127.208 127.208 127.982 -0.774 19033 4381 1 16 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.934 -0.236 19033 4382 1 16 . 1 1 31 31 HIS CA C 31 54.672 54.672 56.835 -2.163 19033 4383 1 16 . 1 1 31 31 HIS CB C 31 28.040 28.040 32.917 -4.877 19033 4384 1 16 . 1 1 31 31 HIS H H 31 9.289 9.289 9.136 0.153 19033 4385 1 16 . 1 1 32 32 ASN N N 32 112.446 112.446 117.381 -4.935 19033 4386 1 16 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.949 0.001 19033 4387 1 16 . 1 1 32 32 ASN CA C 32 50.672 50.672 53.301 -2.629 19033 4388 1 16 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.578 -2.288 19033 4389 1 16 . 1 1 32 32 ASN H H 32 7.866 7.866 7.965 -0.099 19033 4390 1 16 . 1 1 33 33 GLU N N 33 123.553 123.553 121.552 2.001 19033 4391 1 16 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.722 -0.317 19033 4392 1 16 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.970 -1.866 19033 4393 1 16 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.224 -3.546 19033 4394 1 16 . 1 1 33 33 GLU H H 33 8.723 8.723 8.725 -0.002 19033 4395 1 16 . 1 1 34 34 LEU N N 34 125.739 125.739 125.877 -0.138 19033 4396 1 16 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.623 0.027 19033 4397 1 16 . 1 1 34 34 LEU CA C 34 51.344 51.344 54.036 -2.692 19033 4398 1 16 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.342 -3.529 19033 4399 1 16 . 1 1 34 34 LEU H H 34 8.488 8.488 8.139 0.349 19033 4400 1 16 . 1 1 35 35 GLU N N 35 117.915 117.915 119.614 -1.699 19033 4401 1 16 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.591 -0.302 19033 4402 1 16 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.430 -1.998 19033 4403 1 16 . 1 1 35 35 GLU CB C 35 27.756 27.756 30.121 -2.365 19033 4404 1 16 . 1 1 35 35 GLU H H 35 8.174 8.174 8.474 -0.300 19033 4405 1 16 . 1 1 36 36 ASP N N 36 116.640 116.640 119.711 -3.071 19033 4406 1 16 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.772 -0.409 19033 4407 1 16 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.649 -2.257 19033 4408 1 16 . 1 1 36 36 ASP CB C 36 37.268 37.268 40.707 -3.439 19033 4409 1 16 . 1 1 36 36 ASP H H 36 8.755 8.755 8.109 0.646 19033 4410 1 16 . 1 1 37 37 GLY N N 37 104.775 104.775 106.197 -1.422 19033 4411 1 16 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.308 -2.242 19033 4412 1 16 . 1 1 37 37 GLY H H 37 8.235 8.235 8.359 -0.124 19033 4413 1 16 . 1 1 38 38 TRP N N 38 119.789 119.789 118.709 1.080 19033 4414 1 16 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.235 -0.283 19033 4415 1 16 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.261 -0.572 19033 4416 1 16 . 1 1 38 38 TRP CB C 38 28.348 28.348 33.070 -4.722 19033 4417 1 16 . 1 1 38 38 TRP H H 38 7.331 7.331 7.613 -0.282 19033 4418 1 16 . 1 1 39 39 MET N N 39 118.460 118.460 118.156 0.304 19033 4419 1 16 . 1 1 39 39 MET HA H 39 4.941 4.941 5.150 -0.209 19033 4420 1 16 . 1 1 39 39 MET CA C 39 52.194 52.194 54.780 -2.586 19033 4421 1 16 . 1 1 39 39 MET CB C 39 35.101 35.101 37.269 -2.168 19033 4422 1 16 . 1 1 39 39 MET H H 39 9.330 9.330 8.803 0.527 19033 4423 1 16 . 1 1 40 40 TRP N N 40 123.201 123.201 124.956 -1.755 19033 4424 1 16 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.011 0.057 19033 4425 1 16 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.563 -4.242 19033 4426 1 16 . 1 1 40 40 TRP CB C 40 27.857 27.857 31.408 -3.551 19033 4427 1 16 . 1 1 40 40 TRP H H 40 8.777 8.777 8.581 0.196 19033 4428 1 16 . 1 1 41 41 VAL N N 41 120.754 120.754 118.640 2.114 19033 4429 1 16 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.449 -0.002 19033 4430 1 16 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.273 -2.562 19033 4431 1 16 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.185 -0.757 19033 4432 1 16 . 1 1 41 41 VAL H H 41 8.755 8.755 7.911 0.844 19033 4433 1 16 . 1 1 42 42 THR N N 42 112.967 112.967 115.583 -2.616 19033 4434 1 16 . 1 1 42 42 THR HA H 42 4.999 4.999 5.114 -0.115 19033 4435 1 16 . 1 1 42 42 THR CA C 42 59.763 59.763 61.377 -1.614 19033 4436 1 16 . 1 1 42 42 THR CB C 42 68.696 68.696 71.776 -3.080 19033 4437 1 16 . 1 1 42 42 THR H H 42 8.142 8.142 8.069 0.073 19033 4438 1 16 . 1 1 43 43 ASN N N 43 124.680 124.680 123.393 1.287 19033 4439 1 16 . 1 1 43 43 ASN HA H 43 4.409 4.409 4.933 -0.524 19033 4440 1 16 . 1 1 43 43 ASN CA C 43 50.340 50.340 52.462 -2.122 19033 4441 1 16 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.749 -2.963 19033 4442 1 16 . 1 1 43 43 ASN H H 43 8.848 8.848 8.980 -0.132 19033 4443 1 16 . 1 1 44 44 LEU N N 44 126.753 126.753 125.401 1.352 19033 4444 1 16 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.381 -0.332 19033 4445 1 16 . 1 1 44 44 LEU CA C 44 54.255 54.255 55.852 -1.597 19033 4446 1 16 . 1 1 44 44 LEU CB C 44 38.647 38.647 40.998 -2.351 19033 4447 1 16 . 1 1 44 44 LEU H H 44 8.841 8.841 8.429 0.412 19033 4448 1 16 . 1 1 45 45 ARG N N 45 119.154 119.154 119.945 -0.791 19033 4449 1 16 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.215 -0.060 19033 4450 1 16 . 1 1 45 45 ARG CA C 45 56.319 56.319 57.642 -1.323 19033 4451 1 16 . 1 1 45 45 ARG CB C 45 27.552 27.552 31.710 -4.158 19033 4452 1 16 . 1 1 45 45 ARG H H 45 8.452 8.452 7.420 1.032 19033 4453 1 16 . 1 1 46 46 THR N N 46 105.128 105.128 111.438 -6.310 19033 4454 1 16 . 1 1 46 46 THR HA H 46 4.180 4.180 4.409 -0.229 19033 4455 1 16 . 1 1 46 46 THR CA C 46 58.368 58.368 62.137 -3.769 19033 4456 1 16 . 1 1 46 46 THR CB C 46 67.991 67.991 69.795 -1.804 19033 4457 1 16 . 1 1 46 46 THR H H 46 6.842 6.842 8.341 -1.499 19033 4458 1 16 . 1 1 47 47 ASP N N 47 120.147 120.147 120.118 0.029 19033 4459 1 16 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.354 -0.081 19033 4460 1 16 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.720 -2.127 19033 4461 1 16 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.355 -2.607 19033 4462 1 16 . 1 1 47 47 ASP H H 47 8.650 8.650 7.918 0.732 19033 4463 1 16 . 1 1 48 48 GLU N N 48 117.574 117.574 117.937 -0.363 19033 4464 1 16 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.388 -0.094 19033 4465 1 16 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.413 -3.670 19033 4466 1 16 . 1 1 48 48 GLU CB C 48 29.503 29.503 31.576 -2.073 19033 4467 1 16 . 1 1 48 48 GLU H H 48 7.454 7.454 7.616 -0.162 19033 4468 1 16 . 1 1 49 49 GLN N N 49 119.154 119.154 118.778 0.376 19033 4469 1 16 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.809 0.840 19033 4470 1 16 . 1 1 49 49 GLN CA C 49 50.614 50.614 54.581 -3.967 19033 4471 1 16 . 1 1 49 49 GLN CB C 49 29.447 29.447 33.746 -4.300 19033 4472 1 16 . 1 1 49 49 GLN H H 49 8.314 8.314 8.553 -0.239 19033 4473 1 16 . 1 1 50 50 GLY N N 50 108.506 108.506 106.655 1.851 19033 4474 1 16 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.399 -2.144 19033 4475 1 16 . 1 1 50 50 GLY H H 50 7.795 7.795 7.343 0.452 19033 4476 1 16 . 1 1 51 51 LEU N N 51 119.484 119.484 120.738 -1.254 19033 4477 1 16 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.066 0.312 19033 4478 1 16 . 1 1 51 51 LEU CA C 51 51.274 51.274 53.996 -2.722 19033 4479 1 16 . 1 1 51 51 LEU CB C 51 43.574 43.574 43.470 0.104 19033 4480 1 16 . 1 1 51 51 LEU H H 51 7.748 7.748 7.394 0.354 19033 4481 1 16 . 1 1 52 52 ILE N N 52 114.127 114.127 117.554 -3.427 19033 4482 1 16 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.806 -0.161 19033 4483 1 16 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.730 -2.390 19033 4484 1 16 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.310 -1.404 19033 4485 1 16 . 1 1 52 52 ILE H H 52 8.802 8.802 8.354 0.448 19033 4486 1 16 . 1 1 53 53 VAL N N 53 120.370 120.370 123.535 -3.165 19033 4487 1 16 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.740 0.278 19033 4488 1 16 . 1 1 53 53 VAL CA C 53 56.467 56.467 60.005 -3.538 19033 4489 1 16 . 1 1 53 53 VAL CB C 53 30.327 30.327 32.651 -2.324 19033 4490 1 16 . 1 1 53 53 VAL H H 53 7.495 7.495 8.235 -0.740 19033 4491 1 16 . 1 1 54 54 GLU N N 54 122.759 122.759 127.712 -4.953 19033 4492 1 16 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.945 -0.355 19033 4493 1 16 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.607 -3.043 19033 4494 1 16 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.143 -2.717 19033 4495 1 16 . 1 1 54 54 GLU H H 54 8.104 8.104 8.093 0.011 19033 4496 1 16 . 1 1 55 55 ASP N N 55 114.708 114.708 120.305 -5.597 19033 4497 1 16 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.310 -0.106 19033 4498 1 16 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.442 -3.156 19033 4499 1 16 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.695 -2.580 19033 4500 1 16 . 1 1 55 55 ASP H H 55 7.394 7.394 8.328 -0.934 19033 4501 1 16 . 1 1 56 56 LEU N N 56 116.100 116.100 117.301 -1.201 19033 4502 1 16 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.617 -0.219 19033 4503 1 16 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.055 -2.156 19033 4504 1 16 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.058 -3.494 19033 4505 1 16 . 1 1 56 56 LEU H H 56 7.121 7.121 7.257 -0.136 19033 4506 1 16 . 1 1 57 57 VAL N N 57 109.850 109.850 114.812 -4.962 19033 4507 1 16 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.011 0.370 19033 4508 1 16 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.769 -3.208 19033 4509 1 16 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.128 -1.384 19033 4510 1 16 . 1 1 57 57 VAL H H 57 7.438 7.438 7.325 0.113 19033 4511 1 16 . 1 1 58 58 GLU N N 58 116.558 116.558 120.667 -4.109 19033 4512 1 16 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.639 0.196 19033 4513 1 16 . 1 1 58 58 GLU CA C 58 50.156 50.156 54.032 -3.876 19033 4514 1 16 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.461 -2.107 19033 4515 1 16 . 1 1 58 58 GLU H H 58 8.886 8.886 8.793 0.093 19033 4516 1 16 . 1 1 59 59 GLU N N 59 121.900 121.900 123.260 -1.360 19033 4517 1 16 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.221 0.008 19033 4518 1 16 . 1 1 59 59 GLU CA C 59 54.417 54.417 56.270 -1.853 19033 4519 1 16 . 1 1 59 59 GLU CB C 59 27.517 27.517 28.618 -1.101 19033 4520 1 16 . 1 1 59 59 GLU H H 59 8.659 8.659 8.760 -0.101 19033 4521 1 16 . 1 1 60 60 VAL N N 60 122.505 122.505 121.130 1.375 19033 4522 1 16 . 1 1 60 60 VAL HA H 60 4.087 4.087 3.859 0.228 19033 4523 1 16 . 1 1 60 60 VAL CA C 60 59.466 59.466 62.833 -3.367 19033 4524 1 16 . 1 1 60 60 VAL CB C 60 30.306 30.306 32.929 -2.623 19033 4525 1 16 . 1 1 60 60 VAL H H 60 8.069 8.069 8.123 -0.054 19033 4526 1 16 . 1 1 61 61 GLY N N 61 112.799 112.799 113.901 -1.102 19033 4527 1 16 . 1 1 61 61 GLY CA C 61 42.709 42.709 45.385 -2.676 19033 4528 1 16 . 1 1 61 61 GLY H H 61 8.383 8.383 8.754 -0.371 19033 4529 1 17 . 1 1 3 3 ARG N N 3 123.172 123.172 120.275 2.897 19033 4530 1 17 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.929 -0.631 19033 4531 1 17 . 1 1 3 3 ARG CA C 3 54.177 54.177 55.184 -1.008 19033 4532 1 17 . 1 1 3 3 ARG CB C 3 29.313 29.313 32.381 -3.068 19033 4533 1 17 . 1 1 3 3 ARG H H 3 8.600 8.600 8.627 -0.027 19033 4534 1 17 . 1 1 4 4 ARG N N 4 122.811 122.811 118.194 4.617 19033 4535 1 17 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.745 0.700 19033 4536 1 17 . 1 1 4 4 ARG CA C 4 51.948 51.948 54.321 -2.373 19033 4537 1 17 . 1 1 4 4 ARG CB C 4 30.814 30.814 34.298 -3.484 19033 4538 1 17 . 1 1 4 4 ARG H H 4 8.458 8.458 8.468 -0.010 19033 4539 1 17 . 1 1 5 5 VAL N N 5 112.133 112.133 114.311 -2.178 19033 4540 1 17 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.023 0.061 19033 4541 1 17 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.864 -3.970 19033 4542 1 17 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.863 -2.249 19033 4543 1 17 . 1 1 5 5 VAL H H 5 8.173 8.173 8.480 -0.307 19033 4544 1 17 . 1 1 6 6 ARG N N 6 120.981 120.981 122.424 -1.443 19033 4545 1 17 . 1 1 6 6 ARG HA H 6 5.615 5.615 5.041 0.574 19033 4546 1 17 . 1 1 6 6 ARG CA C 6 50.883 50.883 53.739 -2.856 19033 4547 1 17 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.487 -1.823 19033 4548 1 17 . 1 1 6 6 ARG H H 6 9.102 9.102 8.783 0.319 19033 4549 1 17 . 1 1 7 7 ALA N N 7 127.309 127.309 129.181 -1.872 19033 4550 1 17 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.845 -0.020 19033 4551 1 17 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.798 -1.788 19033 4552 1 17 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.088 -1.528 19033 4553 1 17 . 1 1 7 7 ALA H H 7 9.300 9.300 8.729 0.571 19033 4554 1 17 . 1 1 8 8 ILE N N 8 119.944 119.944 119.744 0.200 19033 4555 1 17 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.532 -0.239 19033 4556 1 17 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.398 -1.325 19033 4557 1 17 . 1 1 8 8 ILE CB C 8 36.125 36.125 37.843 -1.718 19033 4558 1 17 . 1 1 8 8 ILE H H 8 9.095 9.095 8.858 0.237 19033 4559 1 17 . 1 1 9 9 LEU N N 9 123.267 123.267 121.453 1.814 19033 4560 1 17 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.949 -0.400 19033 4561 1 17 . 1 1 9 9 LEU CA C 9 49.936 49.936 51.805 -1.869 19033 4562 1 17 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.397 -0.515 19033 4563 1 17 . 1 1 9 9 LEU H H 9 7.738 7.738 7.730 0.008 19033 4564 1 17 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.612 -0.078 19033 4565 1 17 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.452 -3.306 19033 4566 1 17 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.480 -2.115 19033 4567 1 17 . 1 1 11 11 TYR N N 11 117.178 117.178 119.605 -2.427 19033 4568 1 17 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.565 -0.495 19033 4569 1 17 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.109 -0.806 19033 4570 1 17 . 1 1 11 11 TYR CB C 11 39.864 39.864 42.250 -2.386 19033 4571 1 17 . 1 1 11 11 TYR H H 11 7.754 7.754 8.473 -0.719 19033 4572 1 17 . 1 1 12 12 THR N N 12 125.004 125.004 118.004 7.000 19033 4573 1 17 . 1 1 12 12 THR HA H 12 4.224 4.224 4.394 -0.170 19033 4574 1 17 . 1 1 12 12 THR CA C 12 57.833 57.833 59.079 -1.246 19033 4575 1 17 . 1 1 12 12 THR CB C 12 66.962 66.962 69.786 -2.824 19033 4576 1 17 . 1 1 12 12 THR H H 12 7.149 7.149 7.076 0.073 19033 4577 1 17 . 1 1 13 13 LYS N N 13 123.175 123.175 126.368 -3.193 19033 4578 1 17 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.538 -0.390 19033 4579 1 17 . 1 1 13 13 LYS CA C 13 52.749 52.749 55.932 -3.183 19033 4580 1 17 . 1 1 13 13 LYS CB C 13 30.350 30.350 32.788 -2.438 19033 4581 1 17 . 1 1 13 13 LYS H H 13 8.121 8.121 8.239 -0.118 19033 4582 1 17 . 1 1 14 14 VAL N N 14 126.091 126.091 116.797 9.294 19033 4583 1 17 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.152 -0.104 19033 4584 1 17 . 1 1 14 14 VAL CA C 14 58.059 58.059 59.709 -1.650 19033 4585 1 17 . 1 1 14 14 VAL CB C 14 29.394 29.394 30.411 -1.017 19033 4586 1 17 . 1 1 14 14 VAL H H 14 8.061 8.061 8.198 -0.137 19033 4587 1 17 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.534 -0.414 19033 4588 1 17 . 1 1 15 15 PRO CA C 15 61.050 61.050 62.926 -1.876 19033 4589 1 17 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.365 -2.670 19033 4590 1 17 . 1 1 16 16 ASP N N 16 115.188 115.188 119.185 -3.997 19033 4591 1 17 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.302 -0.015 19033 4592 1 17 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.349 -2.160 19033 4593 1 17 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.173 -3.862 19033 4594 1 17 . 1 1 16 16 ASP H H 16 8.808 8.808 8.830 -0.022 19033 4595 1 17 . 1 1 17 17 THR N N 17 106.185 106.185 108.246 -2.061 19033 4596 1 17 . 1 1 17 17 THR HA H 17 4.704 4.704 4.583 0.121 19033 4597 1 17 . 1 1 17 17 THR CA C 17 58.069 58.069 60.897 -2.828 19033 4598 1 17 . 1 1 17 17 THR CB C 17 70.764 70.764 71.471 -0.707 19033 4599 1 17 . 1 1 17 17 THR H H 17 7.264 7.264 7.685 -0.421 19033 4600 1 17 . 1 1 18 18 ASP N N 18 117.426 117.426 121.204 -3.778 19033 4601 1 17 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.771 0.193 19033 4602 1 17 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.504 -2.584 19033 4603 1 17 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.964 -2.905 19033 4604 1 17 . 1 1 18 18 ASP H H 18 8.855 8.855 8.648 0.207 19033 4605 1 17 . 1 1 19 19 GLU N N 19 119.666 119.666 119.105 0.561 19033 4606 1 17 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.900 -0.206 19033 4607 1 17 . 1 1 19 19 GLU CA C 19 54.515 54.515 56.656 -2.141 19033 4608 1 17 . 1 1 19 19 GLU CB C 19 29.535 29.535 31.719 -2.184 19033 4609 1 17 . 1 1 19 19 GLU H H 19 7.603 7.603 7.778 -0.175 19033 4610 1 17 . 1 1 20 20 ILE N N 20 109.127 109.127 115.008 -5.881 19033 4611 1 17 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.632 0.221 19033 4612 1 17 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.385 -3.128 19033 4613 1 17 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.911 -2.510 19033 4614 1 17 . 1 1 20 20 ILE H H 20 6.909 6.909 8.115 -1.206 19033 4615 1 17 . 1 1 21 21 SER N N 21 117.834 117.834 117.225 0.609 19033 4616 1 17 . 1 1 21 21 SER HA H 21 4.796 4.796 4.635 0.161 19033 4617 1 17 . 1 1 21 21 SER CA C 21 54.907 54.907 57.925 -3.018 19033 4618 1 17 . 1 1 21 21 SER CB C 21 61.426 61.426 64.177 -2.751 19033 4619 1 17 . 1 1 21 21 SER H H 21 8.738 8.738 8.384 0.354 19033 4620 1 17 . 1 1 22 22 PHE N N 22 116.177 116.177 116.630 -0.453 19033 4621 1 17 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.071 -0.406 19033 4622 1 17 . 1 1 22 22 PHE CA C 22 53.807 53.807 56.830 -3.023 19033 4623 1 17 . 1 1 22 22 PHE CB C 22 38.324 38.324 40.718 -2.393 19033 4624 1 17 . 1 1 22 22 PHE H H 22 8.860 8.860 8.307 0.553 19033 4625 1 17 . 1 1 23 23 LEU N N 23 121.283 121.283 119.626 1.657 19033 4626 1 17 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.827 -0.216 19033 4627 1 17 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.158 -3.205 19033 4628 1 17 . 1 1 23 23 LEU CB C 23 41.634 41.634 46.252 -4.618 19033 4629 1 17 . 1 1 23 23 LEU H H 23 8.681 8.681 9.438 -0.757 19033 4630 1 17 . 1 1 24 24 LYS N N 24 119.660 119.660 121.592 -1.932 19033 4631 1 17 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.988 -0.666 19033 4632 1 17 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.403 -1.975 19033 4633 1 17 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.297 -2.310 19033 4634 1 17 . 1 1 24 24 LYS H H 24 8.076 8.076 8.486 -0.410 19033 4635 1 17 . 1 1 25 25 GLY N N 25 115.402 115.402 115.701 -0.299 19033 4636 1 17 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.843 -2.530 19033 4637 1 17 . 1 1 25 25 GLY H H 25 8.569 8.569 9.106 -0.537 19033 4638 1 17 . 1 1 26 26 ASP N N 26 122.287 122.287 120.959 1.328 19033 4639 1 17 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.831 -0.524 19033 4640 1 17 . 1 1 26 26 ASP CA C 26 53.273 53.273 54.096 -0.823 19033 4641 1 17 . 1 1 26 26 ASP CB C 26 37.932 37.932 41.678 -3.746 19033 4642 1 17 . 1 1 26 26 ASP H H 26 7.847 7.847 7.783 0.064 19033 4643 1 17 . 1 1 27 27 MET N N 27 119.570 119.570 116.980 2.590 19033 4644 1 17 . 1 1 27 27 MET HA H 27 5.070 5.070 4.771 0.299 19033 4645 1 17 . 1 1 27 27 MET CA C 27 50.485 50.485 54.752 -4.267 19033 4646 1 17 . 1 1 27 27 MET CB C 27 32.786 32.786 36.991 -4.205 19033 4647 1 17 . 1 1 27 27 MET H H 27 8.117 8.117 8.137 -0.020 19033 4648 1 17 . 1 1 28 28 PHE N N 28 116.911 116.911 118.801 -1.890 19033 4649 1 17 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.559 0.100 19033 4650 1 17 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.321 -3.084 19033 4651 1 17 . 1 1 28 28 PHE CB C 28 39.127 39.127 42.705 -3.578 19033 4652 1 17 . 1 1 28 28 PHE H H 28 8.909 8.909 9.177 -0.268 19033 4653 1 17 . 1 1 29 29 ILE N N 29 118.126 118.126 116.304 1.822 19033 4654 1 17 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.575 -0.021 19033 4655 1 17 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.449 -2.901 19033 4656 1 17 . 1 1 29 29 ILE CB C 29 37.618 37.618 40.823 -3.205 19033 4657 1 17 . 1 1 29 29 ILE H H 29 8.060 8.060 8.599 -0.539 19033 4658 1 17 . 1 1 30 30 VAL N N 30 125.411 125.411 125.589 -0.178 19033 4659 1 17 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.898 -0.034 19033 4660 1 17 . 1 1 30 30 VAL CA C 30 59.874 59.874 62.964 -3.090 19033 4661 1 17 . 1 1 30 30 VAL CB C 30 29.863 29.863 32.497 -2.634 19033 4662 1 17 . 1 1 30 30 VAL H H 30 8.331 8.331 8.018 0.313 19033 4663 1 17 . 1 1 31 31 HIS N N 31 127.208 127.208 128.435 -1.227 19033 4664 1 17 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.905 -0.207 19033 4665 1 17 . 1 1 31 31 HIS CA C 31 54.672 54.672 56.530 -1.858 19033 4666 1 17 . 1 1 31 31 HIS CB C 31 28.040 28.040 32.821 -4.781 19033 4667 1 17 . 1 1 31 31 HIS H H 31 9.289 9.289 9.211 0.078 19033 4668 1 17 . 1 1 32 32 ASN N N 32 112.446 112.446 117.333 -4.887 19033 4669 1 17 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.980 -0.030 19033 4670 1 17 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.868 -2.196 19033 4671 1 17 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.537 -2.247 19033 4672 1 17 . 1 1 32 32 ASN H H 32 7.866 7.866 8.108 -0.242 19033 4673 1 17 . 1 1 33 33 GLU N N 33 123.553 123.553 121.794 1.759 19033 4674 1 17 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.666 -0.261 19033 4675 1 17 . 1 1 33 33 GLU CA C 33 54.104 54.104 56.000 -1.896 19033 4676 1 17 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.203 -3.525 19033 4677 1 17 . 1 1 33 33 GLU H H 33 8.723 8.723 8.712 0.011 19033 4678 1 17 . 1 1 34 34 LEU N N 34 125.739 125.739 126.057 -0.318 19033 4679 1 17 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.652 -0.002 19033 4680 1 17 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.805 -2.461 19033 4681 1 17 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.481 -3.668 19033 4682 1 17 . 1 1 34 34 LEU H H 34 8.488 8.488 8.373 0.115 19033 4683 1 17 . 1 1 35 35 GLU N N 35 117.915 117.915 120.326 -2.411 19033 4684 1 17 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.532 -0.243 19033 4685 1 17 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.966 -2.534 19033 4686 1 17 . 1 1 35 35 GLU CB C 35 27.756 27.756 30.008 -2.252 19033 4687 1 17 . 1 1 35 35 GLU H H 35 8.174 8.174 8.673 -0.499 19033 4688 1 17 . 1 1 36 36 ASP N N 36 116.640 116.640 117.896 -1.256 19033 4689 1 17 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.783 -0.420 19033 4690 1 17 . 1 1 36 36 ASP CA C 36 52.392 52.392 53.948 -1.556 19033 4691 1 17 . 1 1 36 36 ASP CB C 36 37.268 37.268 41.026 -3.758 19033 4692 1 17 . 1 1 36 36 ASP H H 36 8.755 8.755 8.186 0.569 19033 4693 1 17 . 1 1 37 37 GLY N N 37 104.775 104.775 106.769 -1.994 19033 4694 1 17 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.202 -2.136 19033 4695 1 17 . 1 1 37 37 GLY H H 37 8.235 8.235 8.607 -0.372 19033 4696 1 17 . 1 1 38 38 TRP N N 38 119.789 119.789 119.573 0.216 19033 4697 1 17 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.469 -0.517 19033 4698 1 17 . 1 1 38 38 TRP CA C 38 54.689 54.689 54.895 -0.206 19033 4699 1 17 . 1 1 38 38 TRP CB C 38 28.348 28.348 32.415 -4.067 19033 4700 1 17 . 1 1 38 38 TRP H H 38 7.331 7.331 7.343 -0.012 19033 4701 1 17 . 1 1 39 39 MET N N 39 118.460 118.460 118.160 0.300 19033 4702 1 17 . 1 1 39 39 MET HA H 39 4.941 4.941 5.060 -0.119 19033 4703 1 17 . 1 1 39 39 MET CA C 39 52.194 52.194 54.807 -2.613 19033 4704 1 17 . 1 1 39 39 MET CB C 39 35.101 35.101 37.211 -2.110 19033 4705 1 17 . 1 1 39 39 MET H H 39 9.330 9.330 8.666 0.664 19033 4706 1 17 . 1 1 40 40 TRP N N 40 123.201 123.201 125.074 -1.873 19033 4707 1 17 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.056 0.012 19033 4708 1 17 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.318 -3.997 19033 4709 1 17 . 1 1 40 40 TRP CB C 40 27.857 27.857 31.608 -3.751 19033 4710 1 17 . 1 1 40 40 TRP H H 40 8.777 8.777 8.467 0.310 19033 4711 1 17 . 1 1 41 41 VAL N N 41 120.754 120.754 118.480 2.274 19033 4712 1 17 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.317 0.130 19033 4713 1 17 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.233 -2.522 19033 4714 1 17 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.173 -0.745 19033 4715 1 17 . 1 1 41 41 VAL H H 41 8.755 8.755 8.045 0.710 19033 4716 1 17 . 1 1 42 42 THR N N 42 112.967 112.967 115.153 -2.186 19033 4717 1 17 . 1 1 42 42 THR HA H 42 4.999 4.999 4.803 0.196 19033 4718 1 17 . 1 1 42 42 THR CA C 42 59.763 59.763 61.507 -1.744 19033 4719 1 17 . 1 1 42 42 THR CB C 42 68.696 68.696 71.165 -2.469 19033 4720 1 17 . 1 1 42 42 THR H H 42 8.142 8.142 7.805 0.337 19033 4721 1 17 . 1 1 43 43 ASN N N 43 124.680 124.680 124.427 0.253 19033 4722 1 17 . 1 1 43 43 ASN HA H 43 4.409 4.409 4.800 -0.391 19033 4723 1 17 . 1 1 43 43 ASN CA C 43 50.340 50.340 52.179 -1.839 19033 4724 1 17 . 1 1 43 43 ASN CB C 43 36.786 36.786 38.808 -2.022 19033 4725 1 17 . 1 1 43 43 ASN H H 43 8.848 8.848 9.052 -0.204 19033 4726 1 17 . 1 1 44 44 LEU N N 44 126.753 126.753 126.815 -0.062 19033 4727 1 17 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.104 -0.055 19033 4728 1 17 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.352 -2.097 19033 4729 1 17 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.317 -2.670 19033 4730 1 17 . 1 1 44 44 LEU H H 44 8.841 8.841 8.544 0.297 19033 4731 1 17 . 1 1 45 45 ARG N N 45 119.154 119.154 118.777 0.377 19033 4732 1 17 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.038 0.117 19033 4733 1 17 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.476 -2.157 19033 4734 1 17 . 1 1 45 45 ARG CB C 45 27.552 27.552 31.016 -3.464 19033 4735 1 17 . 1 1 45 45 ARG H H 45 8.452 8.452 8.039 0.413 19033 4736 1 17 . 1 1 46 46 THR N N 46 105.128 105.128 110.072 -4.944 19033 4737 1 17 . 1 1 46 46 THR HA H 46 4.180 4.180 4.359 -0.179 19033 4738 1 17 . 1 1 46 46 THR CA C 46 58.368 58.368 62.386 -4.018 19033 4739 1 17 . 1 1 46 46 THR CB C 46 67.991 67.991 69.278 -1.287 19033 4740 1 17 . 1 1 46 46 THR H H 46 6.842 6.842 7.789 -0.947 19033 4741 1 17 . 1 1 47 47 ASP N N 47 120.147 120.147 120.343 -0.196 19033 4742 1 17 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.262 0.011 19033 4743 1 17 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.890 -2.297 19033 4744 1 17 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.588 -2.840 19033 4745 1 17 . 1 1 47 47 ASP H H 47 8.650 8.650 8.058 0.592 19033 4746 1 17 . 1 1 48 48 GLU N N 48 117.574 117.574 118.822 -1.248 19033 4747 1 17 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.121 0.173 19033 4748 1 17 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.829 -4.086 19033 4749 1 17 . 1 1 48 48 GLU CB C 48 29.503 29.503 29.753 -0.250 19033 4750 1 17 . 1 1 48 48 GLU H H 48 7.454 7.454 8.317 -0.863 19033 4751 1 17 . 1 1 49 49 GLN N N 49 119.154 119.154 122.227 -3.073 19033 4752 1 17 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.703 0.946 19033 4753 1 17 . 1 1 49 49 GLN CA C 49 50.614 50.614 54.941 -4.327 19033 4754 1 17 . 1 1 49 49 GLN CB C 49 29.447 29.447 31.301 -1.854 19033 4755 1 17 . 1 1 49 49 GLN H H 49 8.314 8.314 8.354 -0.040 19033 4756 1 17 . 1 1 50 50 GLY N N 50 108.506 108.506 105.673 2.833 19033 4757 1 17 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.055 -1.800 19033 4758 1 17 . 1 1 50 50 GLY H H 50 7.795 7.795 7.024 0.771 19033 4759 1 17 . 1 1 51 51 LEU N N 51 119.484 119.484 120.638 -1.154 19033 4760 1 17 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.221 0.157 19033 4761 1 17 . 1 1 51 51 LEU CA C 51 51.274 51.274 54.490 -3.216 19033 4762 1 17 . 1 1 51 51 LEU CB C 51 43.574 43.574 43.386 0.188 19033 4763 1 17 . 1 1 51 51 LEU H H 51 7.748 7.748 8.092 -0.344 19033 4764 1 17 . 1 1 52 52 ILE N N 52 114.127 114.127 116.294 -2.167 19033 4765 1 17 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.975 -0.330 19033 4766 1 17 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.872 -2.532 19033 4767 1 17 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.235 -1.329 19033 4768 1 17 . 1 1 52 52 ILE H H 52 8.802 8.802 8.234 0.568 19033 4769 1 17 . 1 1 53 53 VAL N N 53 120.370 120.370 121.735 -1.365 19033 4770 1 17 . 1 1 53 53 VAL HA H 53 4.018 4.018 4.045 -0.027 19033 4771 1 17 . 1 1 53 53 VAL CA C 53 56.467 56.467 59.477 -3.010 19033 4772 1 17 . 1 1 53 53 VAL CB C 53 30.327 30.327 33.836 -3.509 19033 4773 1 17 . 1 1 53 53 VAL H H 53 7.495 7.495 8.256 -0.761 19033 4774 1 17 . 1 1 54 54 GLU N N 54 122.759 122.759 127.810 -5.051 19033 4775 1 17 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.930 -0.340 19033 4776 1 17 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.820 -3.256 19033 4777 1 17 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.213 -2.787 19033 4778 1 17 . 1 1 54 54 GLU H H 54 8.104 8.104 8.552 -0.448 19033 4779 1 17 . 1 1 55 55 ASP N N 55 114.708 114.708 119.487 -4.779 19033 4780 1 17 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.373 -0.169 19033 4781 1 17 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.331 -3.045 19033 4782 1 17 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.642 -2.527 19033 4783 1 17 . 1 1 55 55 ASP H H 55 7.394 7.394 8.300 -0.906 19033 4784 1 17 . 1 1 56 56 LEU N N 56 116.100 116.100 117.368 -1.268 19033 4785 1 17 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.684 -0.286 19033 4786 1 17 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.153 -2.254 19033 4787 1 17 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.457 -3.893 19033 4788 1 17 . 1 1 56 56 LEU H H 56 7.121 7.121 7.319 -0.198 19033 4789 1 17 . 1 1 57 57 VAL N N 57 109.850 109.850 114.728 -4.878 19033 4790 1 17 . 1 1 57 57 VAL HA H 57 5.381 5.381 4.980 0.401 19033 4791 1 17 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.877 -3.317 19033 4792 1 17 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.676 -1.932 19033 4793 1 17 . 1 1 57 57 VAL H H 57 7.438 7.438 7.323 0.115 19033 4794 1 17 . 1 1 58 58 GLU N N 58 116.558 116.558 119.425 -2.867 19033 4795 1 17 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.620 0.215 19033 4796 1 17 . 1 1 58 58 GLU CA C 58 50.156 50.156 53.977 -3.821 19033 4797 1 17 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.185 -1.831 19033 4798 1 17 . 1 1 58 58 GLU H H 58 8.886 8.886 8.819 0.067 19033 4799 1 17 . 1 1 59 59 GLU N N 59 121.900 121.900 121.285 0.615 19033 4800 1 17 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.247 -0.018 19033 4801 1 17 . 1 1 59 59 GLU CA C 59 54.417 54.417 55.785 -1.368 19033 4802 1 17 . 1 1 59 59 GLU CB C 59 27.517 27.517 27.290 0.227 19033 4803 1 17 . 1 1 59 59 GLU H H 59 8.659 8.659 8.943 -0.284 19033 4804 1 17 . 1 1 60 60 VAL N N 60 122.505 122.505 121.244 1.261 19033 4805 1 17 . 1 1 60 60 VAL HA H 60 4.087 4.087 3.939 0.148 19033 4806 1 17 . 1 1 60 60 VAL CA C 60 59.466 59.466 63.877 -4.411 19033 4807 1 17 . 1 1 60 60 VAL CB C 60 30.306 30.306 33.133 -2.827 19033 4808 1 17 . 1 1 60 60 VAL H H 60 8.069 8.069 7.983 0.086 19033 4809 1 17 . 1 1 61 61 GLY N N 61 112.799 112.799 112.517 0.282 19033 4810 1 17 . 1 1 61 61 GLY CA C 61 42.709 42.709 45.081 -2.373 19033 4811 1 17 . 1 1 61 61 GLY H H 61 8.383 8.383 8.461 -0.078 19033 4812 1 18 . 1 1 3 3 ARG N N 3 123.172 123.172 118.268 4.904 19033 4813 1 18 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.366 -0.068 19033 4814 1 18 . 1 1 3 3 ARG CA C 3 54.177 54.177 55.376 -1.199 19033 4815 1 18 . 1 1 3 3 ARG CB C 3 29.313 29.313 31.116 -1.802 19033 4816 1 18 . 1 1 3 3 ARG H H 3 8.600 8.600 8.112 0.488 19033 4817 1 18 . 1 1 4 4 ARG N N 4 122.811 122.811 117.916 4.895 19033 4818 1 18 . 1 1 4 4 ARG HA H 4 5.445 5.445 5.080 0.365 19033 4819 1 18 . 1 1 4 4 ARG CA C 4 51.948 51.948 54.057 -2.109 19033 4820 1 18 . 1 1 4 4 ARG CB C 4 30.814 30.814 33.099 -2.285 19033 4821 1 18 . 1 1 4 4 ARG H H 4 8.458 8.458 8.495 -0.037 19033 4822 1 18 . 1 1 5 5 VAL N N 5 112.133 112.133 113.974 -1.841 19033 4823 1 18 . 1 1 5 5 VAL HA H 5 5.084 5.084 4.987 0.097 19033 4824 1 18 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.412 -3.518 19033 4825 1 18 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.754 -2.140 19033 4826 1 18 . 1 1 5 5 VAL H H 5 8.173 8.173 8.623 -0.450 19033 4827 1 18 . 1 1 6 6 ARG N N 6 120.981 120.981 124.099 -3.118 19033 4828 1 18 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.936 0.679 19033 4829 1 18 . 1 1 6 6 ARG CA C 6 50.883 50.883 53.640 -2.757 19033 4830 1 18 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.393 -1.729 19033 4831 1 18 . 1 1 6 6 ARG H H 6 9.102 9.102 8.443 0.659 19033 4832 1 18 . 1 1 7 7 ALA N N 7 127.309 127.309 127.593 -0.284 19033 4833 1 18 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.845 -0.020 19033 4834 1 18 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.242 -1.232 19033 4835 1 18 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.260 -1.700 19033 4836 1 18 . 1 1 7 7 ALA H H 7 9.300 9.300 8.419 0.881 19033 4837 1 18 . 1 1 8 8 ILE N N 8 119.944 119.944 118.164 1.780 19033 4838 1 18 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.441 -0.148 19033 4839 1 18 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.764 -1.691 19033 4840 1 18 . 1 1 8 8 ILE CB C 8 36.125 36.125 37.967 -1.842 19033 4841 1 18 . 1 1 8 8 ILE H H 8 9.095 9.095 8.825 0.271 19033 4842 1 18 . 1 1 9 9 LEU N N 9 123.267 123.267 120.907 2.360 19033 4843 1 18 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.846 -0.297 19033 4844 1 18 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.050 -2.114 19033 4845 1 18 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.416 -0.534 19033 4846 1 18 . 1 1 9 9 LEU H H 9 7.738 7.738 7.562 0.176 19033 4847 1 18 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.570 -0.036 19033 4848 1 18 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.734 -3.588 19033 4849 1 18 . 1 1 10 10 PRO CB C 10 30.365 30.365 31.895 -1.530 19033 4850 1 18 . 1 1 11 11 TYR N N 11 117.178 117.178 126.194 -9.016 19033 4851 1 18 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.631 -0.561 19033 4852 1 18 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.847 -1.544 19033 4853 1 18 . 1 1 11 11 TYR CB C 11 39.864 39.864 40.733 -0.869 19033 4854 1 18 . 1 1 11 11 TYR H H 11 7.754 7.754 8.156 -0.402 19033 4855 1 18 . 1 1 12 12 THR N N 12 125.004 125.004 116.513 8.491 19033 4856 1 18 . 1 1 12 12 THR HA H 12 4.224 4.224 4.279 -0.055 19033 4857 1 18 . 1 1 12 12 THR CA C 12 57.833 57.833 61.227 -3.394 19033 4858 1 18 . 1 1 12 12 THR CB C 12 66.962 66.962 69.978 -3.016 19033 4859 1 18 . 1 1 12 12 THR H H 12 7.149 7.149 6.237 0.912 19033 4860 1 18 . 1 1 13 13 LYS N N 13 123.175 123.175 124.518 -1.343 19033 4861 1 18 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.593 -0.446 19033 4862 1 18 . 1 1 13 13 LYS CA C 13 52.749 52.749 55.791 -3.042 19033 4863 1 18 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.402 -3.052 19033 4864 1 18 . 1 1 13 13 LYS H H 13 8.121 8.121 7.984 0.137 19033 4865 1 18 . 1 1 14 14 VAL N N 14 126.091 126.091 116.412 9.679 19033 4866 1 18 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.463 -0.415 19033 4867 1 18 . 1 1 14 14 VAL CA C 14 58.059 58.059 58.932 -0.873 19033 4868 1 18 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.217 -1.823 19033 4869 1 18 . 1 1 14 14 VAL H H 14 8.061 8.061 8.184 -0.123 19033 4870 1 18 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.610 -0.490 19033 4871 1 18 . 1 1 15 15 PRO CA C 15 61.050 61.050 62.539 -1.489 19033 4872 1 18 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.792 -3.097 19033 4873 1 18 . 1 1 16 16 ASP N N 16 115.188 115.188 118.521 -3.333 19033 4874 1 18 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.349 -0.062 19033 4875 1 18 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.720 -2.531 19033 4876 1 18 . 1 1 16 16 ASP CB C 16 36.311 36.311 39.476 -3.165 19033 4877 1 18 . 1 1 16 16 ASP H H 16 8.808 8.808 8.854 -0.046 19033 4878 1 18 . 1 1 17 17 THR N N 17 106.185 106.185 107.990 -1.805 19033 4879 1 18 . 1 1 17 17 THR HA H 17 4.704 4.704 4.648 0.056 19033 4880 1 18 . 1 1 17 17 THR CA C 17 58.069 58.069 60.379 -2.310 19033 4881 1 18 . 1 1 17 17 THR CB C 17 70.764 70.764 71.569 -0.805 19033 4882 1 18 . 1 1 17 17 THR H H 17 7.264 7.264 7.572 -0.308 19033 4883 1 18 . 1 1 18 18 ASP N N 18 117.426 117.426 123.191 -5.765 19033 4884 1 18 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.744 0.219 19033 4885 1 18 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.343 -2.423 19033 4886 1 18 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.011 -1.952 19033 4887 1 18 . 1 1 18 18 ASP H H 18 8.855 8.855 8.716 0.139 19033 4888 1 18 . 1 1 19 19 GLU N N 19 119.666 119.666 118.452 1.214 19033 4889 1 18 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.900 -0.206 19033 4890 1 18 . 1 1 19 19 GLU CA C 19 54.515 54.515 55.116 -0.601 19033 4891 1 18 . 1 1 19 19 GLU CB C 19 29.535 29.535 33.276 -3.741 19033 4892 1 18 . 1 1 19 19 GLU H H 19 7.603 7.603 7.641 -0.038 19033 4893 1 18 . 1 1 20 20 ILE N N 20 109.127 109.127 115.515 -6.388 19033 4894 1 18 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.567 0.286 19033 4895 1 18 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.750 -3.493 19033 4896 1 18 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.567 -2.166 19033 4897 1 18 . 1 1 20 20 ILE H H 20 6.909 6.909 7.889 -0.980 19033 4898 1 18 . 1 1 21 21 SER N N 21 117.834 117.834 117.825 0.009 19033 4899 1 18 . 1 1 21 21 SER HA H 21 4.796 4.796 5.006 -0.210 19033 4900 1 18 . 1 1 21 21 SER CA C 21 54.907 54.907 57.372 -2.465 19033 4901 1 18 . 1 1 21 21 SER CB C 21 61.426 61.426 66.201 -4.775 19033 4902 1 18 . 1 1 21 21 SER H H 21 8.738 8.738 8.457 0.281 19033 4903 1 18 . 1 1 22 22 PHE N N 22 116.177 116.177 118.657 -2.480 19033 4904 1 18 . 1 1 22 22 PHE HA H 22 4.665 4.665 4.831 -0.166 19033 4905 1 18 . 1 1 22 22 PHE CA C 22 53.807 53.807 56.835 -3.028 19033 4906 1 18 . 1 1 22 22 PHE CB C 22 38.324 38.324 41.573 -3.249 19033 4907 1 18 . 1 1 22 22 PHE H H 22 8.860 8.860 8.771 0.089 19033 4908 1 18 . 1 1 23 23 LEU N N 23 121.283 121.283 122.726 -1.443 19033 4909 1 18 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.667 -0.056 19033 4910 1 18 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.584 -3.631 19033 4911 1 18 . 1 1 23 23 LEU CB C 23 41.634 41.634 43.448 -1.814 19033 4912 1 18 . 1 1 23 23 LEU H H 23 8.681 8.681 8.137 0.544 19033 4913 1 18 . 1 1 24 24 LYS N N 24 119.660 119.660 119.284 0.376 19033 4914 1 18 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.908 -0.586 19033 4915 1 18 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.128 -1.700 19033 4916 1 18 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.694 -2.707 19033 4917 1 18 . 1 1 24 24 LYS H H 24 8.076 8.076 8.222 -0.146 19033 4918 1 18 . 1 1 25 25 GLY N N 25 115.402 115.402 112.724 2.678 19033 4919 1 18 . 1 1 25 25 GLY CA C 25 42.313 42.313 45.254 -2.941 19033 4920 1 18 . 1 1 25 25 GLY H H 25 8.569 8.569 8.433 0.136 19033 4921 1 18 . 1 1 26 26 ASP N N 26 122.287 122.287 119.059 3.228 19033 4922 1 18 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.536 -0.229 19033 4923 1 18 . 1 1 26 26 ASP CA C 26 53.273 53.273 52.321 0.952 19033 4924 1 18 . 1 1 26 26 ASP CB C 26 37.932 37.932 42.257 -4.325 19033 4925 1 18 . 1 1 26 26 ASP H H 26 7.847 7.847 7.534 0.313 19033 4926 1 18 . 1 1 27 27 MET N N 27 119.570 119.570 116.383 3.187 19033 4927 1 18 . 1 1 27 27 MET HA H 27 5.070 5.070 4.617 0.453 19033 4928 1 18 . 1 1 27 27 MET CA C 27 50.485 50.485 54.890 -4.405 19033 4929 1 18 . 1 1 27 27 MET CB C 27 32.786 32.786 36.801 -4.015 19033 4930 1 18 . 1 1 27 27 MET H H 27 8.117 8.117 7.727 0.390 19033 4931 1 18 . 1 1 28 28 PHE N N 28 116.911 116.911 119.158 -2.247 19033 4932 1 18 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.553 0.106 19033 4933 1 18 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.742 -3.505 19033 4934 1 18 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.564 -4.437 19033 4935 1 18 . 1 1 28 28 PHE H H 28 8.909 8.909 8.778 0.131 19033 4936 1 18 . 1 1 29 29 ILE N N 29 118.126 118.126 118.859 -0.733 19033 4937 1 18 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.724 -0.170 19033 4938 1 18 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.768 -3.220 19033 4939 1 18 . 1 1 29 29 ILE CB C 29 37.618 37.618 39.950 -2.332 19033 4940 1 18 . 1 1 29 29 ILE H H 29 8.060 8.060 8.370 -0.310 19033 4941 1 18 . 1 1 30 30 VAL N N 30 125.411 125.411 126.129 -0.718 19033 4942 1 18 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.870 -0.006 19033 4943 1 18 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.206 -3.332 19033 4944 1 18 . 1 1 30 30 VAL CB C 30 29.863 29.863 32.684 -2.821 19033 4945 1 18 . 1 1 30 30 VAL H H 30 8.331 8.331 8.066 0.265 19033 4946 1 18 . 1 1 31 31 HIS N N 31 127.208 127.208 128.367 -1.159 19033 4947 1 18 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.924 -0.226 19033 4948 1 18 . 1 1 31 31 HIS CA C 31 54.672 54.672 56.970 -2.298 19033 4949 1 18 . 1 1 31 31 HIS CB C 31 28.040 28.040 32.451 -4.411 19033 4950 1 18 . 1 1 31 31 HIS H H 31 9.289 9.289 9.421 -0.132 19033 4951 1 18 . 1 1 32 32 ASN N N 32 112.446 112.446 116.267 -3.821 19033 4952 1 18 . 1 1 32 32 ASN HA H 32 4.950 4.950 5.024 -0.074 19033 4953 1 18 . 1 1 32 32 ASN CA C 32 50.672 50.672 53.137 -2.465 19033 4954 1 18 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.994 -2.704 19033 4955 1 18 . 1 1 32 32 ASN H H 32 7.866 7.866 8.070 -0.204 19033 4956 1 18 . 1 1 33 33 GLU N N 33 123.553 123.553 120.856 2.697 19033 4957 1 18 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.693 -0.288 19033 4958 1 18 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.981 -1.877 19033 4959 1 18 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.603 -3.925 19033 4960 1 18 . 1 1 33 33 GLU H H 33 8.723 8.723 8.701 0.022 19033 4961 1 18 . 1 1 34 34 LEU N N 34 125.739 125.739 125.951 -0.212 19033 4962 1 18 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.602 0.048 19033 4963 1 18 . 1 1 34 34 LEU CA C 34 51.344 51.344 54.059 -2.715 19033 4964 1 18 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.568 -3.755 19033 4965 1 18 . 1 1 34 34 LEU H H 34 8.488 8.488 8.367 0.121 19033 4966 1 18 . 1 1 35 35 GLU N N 35 117.915 117.915 120.755 -2.840 19033 4967 1 18 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.631 -0.342 19033 4968 1 18 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.629 -2.197 19033 4969 1 18 . 1 1 35 35 GLU CB C 35 27.756 27.756 29.640 -1.884 19033 4970 1 18 . 1 1 35 35 GLU H H 35 8.174 8.174 8.645 -0.471 19033 4971 1 18 . 1 1 36 36 ASP N N 36 116.640 116.640 120.769 -4.129 19033 4972 1 18 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.678 -0.315 19033 4973 1 18 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.611 -2.219 19033 4974 1 18 . 1 1 36 36 ASP CB C 36 37.268 37.268 40.023 -2.755 19033 4975 1 18 . 1 1 36 36 ASP H H 36 8.755 8.755 8.329 0.426 19033 4976 1 18 . 1 1 37 37 GLY N N 37 104.775 104.775 107.220 -2.445 19033 4977 1 18 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.127 -2.061 19033 4978 1 18 . 1 1 37 37 GLY H H 37 8.235 8.235 8.480 -0.245 19033 4979 1 18 . 1 1 38 38 TRP N N 38 119.789 119.789 120.626 -0.837 19033 4980 1 18 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.186 -0.234 19033 4981 1 18 . 1 1 38 38 TRP CA C 38 54.689 54.689 56.738 -2.049 19033 4982 1 18 . 1 1 38 38 TRP CB C 38 28.348 28.348 30.832 -2.484 19033 4983 1 18 . 1 1 38 38 TRP H H 38 7.331 7.331 8.540 -1.209 19033 4984 1 18 . 1 1 39 39 MET N N 39 118.460 118.460 115.991 2.469 19033 4985 1 18 . 1 1 39 39 MET HA H 39 4.941 4.941 4.896 0.045 19033 4986 1 18 . 1 1 39 39 MET CA C 39 52.194 52.194 54.768 -2.574 19033 4987 1 18 . 1 1 39 39 MET CB C 39 35.101 35.101 37.466 -2.365 19033 4988 1 18 . 1 1 39 39 MET H H 39 9.330 9.330 8.511 0.819 19033 4989 1 18 . 1 1 40 40 TRP N N 40 123.201 123.201 122.944 0.257 19033 4990 1 18 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.249 -0.181 19033 4991 1 18 . 1 1 40 40 TRP CA C 40 54.321 54.321 57.102 -2.781 19033 4992 1 18 . 1 1 40 40 TRP CB C 40 27.857 27.857 32.333 -4.476 19033 4993 1 18 . 1 1 40 40 TRP H H 40 8.777 8.777 8.575 0.202 19033 4994 1 18 . 1 1 41 41 VAL N N 41 120.754 120.754 120.450 0.304 19033 4995 1 18 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.449 -0.002 19033 4996 1 18 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.047 -2.336 19033 4997 1 18 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.459 -1.031 19033 4998 1 18 . 1 1 41 41 VAL H H 41 8.755 8.755 8.181 0.574 19033 4999 1 18 . 1 1 42 42 THR N N 42 112.967 112.967 115.677 -2.710 19033 5000 1 18 . 1 1 42 42 THR HA H 42 4.999 4.999 4.831 0.168 19033 5001 1 18 . 1 1 42 42 THR CA C 42 59.763 59.763 61.692 -1.929 19033 5002 1 18 . 1 1 42 42 THR CB C 42 68.696 68.696 70.522 -1.826 19033 5003 1 18 . 1 1 42 42 THR H H 42 8.142 8.142 7.956 0.186 19033 5004 1 18 . 1 1 43 43 ASN N N 43 124.680 124.680 123.722 0.958 19033 5005 1 18 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.021 -0.612 19033 5006 1 18 . 1 1 43 43 ASN CA C 43 50.340 50.340 53.611 -3.271 19033 5007 1 18 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.266 -2.480 19033 5008 1 18 . 1 1 43 43 ASN H H 43 8.848 8.848 9.118 -0.270 19033 5009 1 18 . 1 1 44 44 LEU N N 44 126.753 126.753 125.496 1.257 19033 5010 1 18 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.048 0.001 19033 5011 1 18 . 1 1 44 44 LEU CA C 44 54.255 54.255 57.029 -2.774 19033 5012 1 18 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.648 -3.001 19033 5013 1 18 . 1 1 44 44 LEU H H 44 8.841 8.841 7.834 1.007 19033 5014 1 18 . 1 1 45 45 ARG N N 45 119.154 119.154 117.711 1.443 19033 5015 1 18 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.046 0.109 19033 5016 1 18 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.304 -1.985 19033 5017 1 18 . 1 1 45 45 ARG CB C 45 27.552 27.552 29.931 -2.379 19033 5018 1 18 . 1 1 45 45 ARG H H 45 8.452 8.452 7.842 0.610 19033 5019 1 18 . 1 1 46 46 THR N N 46 105.128 105.128 109.248 -4.120 19033 5020 1 18 . 1 1 46 46 THR HA H 46 4.180 4.180 4.333 -0.153 19033 5021 1 18 . 1 1 46 46 THR CA C 46 58.368 58.368 62.397 -4.029 19033 5022 1 18 . 1 1 46 46 THR CB C 46 67.991 67.991 70.045 -2.054 19033 5023 1 18 . 1 1 46 46 THR H H 46 6.842 6.842 7.695 -0.853 19033 5024 1 18 . 1 1 47 47 ASP N N 47 120.147 120.147 120.131 0.016 19033 5025 1 18 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.368 -0.095 19033 5026 1 18 . 1 1 47 47 ASP CA C 47 53.593 53.593 56.089 -2.496 19033 5027 1 18 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.264 -2.516 19033 5028 1 18 . 1 1 47 47 ASP H H 47 8.650 8.650 8.261 0.389 19033 5029 1 18 . 1 1 48 48 GLU N N 48 117.574 117.574 118.825 -1.251 19033 5030 1 18 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.248 0.046 19033 5031 1 18 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.282 -3.539 19033 5032 1 18 . 1 1 48 48 GLU CB C 48 29.503 29.503 30.583 -1.080 19033 5033 1 18 . 1 1 48 48 GLU H H 48 7.454 7.454 7.962 -0.508 19033 5034 1 18 . 1 1 49 49 GLN N N 49 119.154 119.154 120.066 -0.912 19033 5035 1 18 . 1 1 49 49 GLN HA H 49 5.649 5.649 5.170 0.479 19033 5036 1 18 . 1 1 49 49 GLN CA C 49 50.614 50.614 54.293 -3.679 19033 5037 1 18 . 1 1 49 49 GLN CB C 49 29.447 29.447 33.761 -4.314 19033 5038 1 18 . 1 1 49 49 GLN H H 49 8.314 8.314 8.410 -0.096 19033 5039 1 18 . 1 1 50 50 GLY N N 50 108.506 108.506 106.307 2.199 19033 5040 1 18 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.479 -2.224 19033 5041 1 18 . 1 1 50 50 GLY H H 50 7.795 7.795 7.427 0.368 19033 5042 1 18 . 1 1 51 51 LEU N N 51 119.484 119.484 120.879 -1.395 19033 5043 1 18 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.335 0.043 19033 5044 1 18 . 1 1 51 51 LEU CA C 51 51.274 51.274 53.617 -2.343 19033 5045 1 18 . 1 1 51 51 LEU CB C 51 43.574 43.574 44.327 -0.753 19033 5046 1 18 . 1 1 51 51 LEU H H 51 7.748 7.748 8.071 -0.323 19033 5047 1 18 . 1 1 52 52 ILE N N 52 114.127 114.127 117.022 -2.895 19033 5048 1 18 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.290 0.355 19033 5049 1 18 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.639 -2.299 19033 5050 1 18 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.261 -1.355 19033 5051 1 18 . 1 1 52 52 ILE H H 52 8.802 8.802 8.039 0.763 19033 5052 1 18 . 1 1 53 53 VAL N N 53 120.370 120.370 122.122 -1.752 19033 5053 1 18 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.743 0.275 19033 5054 1 18 . 1 1 53 53 VAL CA C 53 56.467 56.467 60.020 -3.553 19033 5055 1 18 . 1 1 53 53 VAL CB C 53 30.327 30.327 33.444 -3.117 19033 5056 1 18 . 1 1 53 53 VAL H H 53 7.495 7.495 7.670 -0.175 19033 5057 1 18 . 1 1 54 54 GLU N N 54 122.759 122.759 127.513 -4.754 19033 5058 1 18 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.955 -0.365 19033 5059 1 18 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.929 -3.365 19033 5060 1 18 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.246 -2.820 19033 5061 1 18 . 1 1 54 54 GLU H H 54 8.104 8.104 8.803 -0.699 19033 5062 1 18 . 1 1 55 55 ASP N N 55 114.708 114.708 119.744 -5.036 19033 5063 1 18 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.393 -0.189 19033 5064 1 18 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.479 -3.193 19033 5065 1 18 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.622 -2.507 19033 5066 1 18 . 1 1 55 55 ASP H H 55 7.394 7.394 8.297 -0.903 19033 5067 1 18 . 1 1 56 56 LEU N N 56 116.100 116.100 117.578 -1.478 19033 5068 1 18 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.582 -0.184 19033 5069 1 18 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.357 -2.458 19033 5070 1 18 . 1 1 56 56 LEU CB C 56 39.564 39.564 42.709 -3.145 19033 5071 1 18 . 1 1 56 56 LEU H H 56 7.121 7.121 7.295 -0.174 19033 5072 1 18 . 1 1 57 57 VAL N N 57 109.850 109.850 114.624 -4.774 19033 5073 1 18 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.152 0.229 19033 5074 1 18 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.671 -3.111 19033 5075 1 18 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.660 -1.916 19033 5076 1 18 . 1 1 57 57 VAL H H 57 7.438 7.438 7.576 -0.138 19033 5077 1 18 . 1 1 58 58 GLU N N 58 116.558 116.558 119.434 -2.876 19033 5078 1 18 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.671 0.164 19033 5079 1 18 . 1 1 58 58 GLU CA C 58 50.156 50.156 54.004 -3.848 19033 5080 1 18 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.903 -2.549 19033 5081 1 18 . 1 1 58 58 GLU H H 58 8.886 8.886 8.816 0.070 19033 5082 1 18 . 1 1 59 59 GLU N N 59 121.900 121.900 122.632 -0.732 19033 5083 1 18 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.219 0.010 19033 5084 1 18 . 1 1 59 59 GLU CA C 59 54.417 54.417 56.542 -2.125 19033 5085 1 18 . 1 1 59 59 GLU CB C 59 27.517 27.517 28.613 -1.096 19033 5086 1 18 . 1 1 59 59 GLU H H 59 8.659 8.659 8.653 0.006 19033 5087 1 18 . 1 1 60 60 VAL N N 60 122.505 122.505 121.434 1.071 19033 5088 1 18 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.123 -0.036 19033 5089 1 18 . 1 1 60 60 VAL CA C 60 59.466 59.466 62.117 -2.651 19033 5090 1 18 . 1 1 60 60 VAL CB C 60 30.306 30.306 32.705 -2.399 19033 5091 1 18 . 1 1 60 60 VAL H H 60 8.069 8.069 7.685 0.384 19033 5092 1 18 . 1 1 61 61 GLY N N 61 112.799 112.799 109.167 3.632 19033 5093 1 18 . 1 1 61 61 GLY CA C 61 42.709 42.709 44.628 -1.919 19033 5094 1 18 . 1 1 61 61 GLY H H 61 8.383 8.383 8.529 -0.146 19033 5095 1 19 . 1 1 3 3 ARG N N 3 123.172 123.172 122.492 0.680 19033 5096 1 19 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.536 -0.238 19033 5097 1 19 . 1 1 3 3 ARG CA C 3 54.177 54.177 55.172 -0.995 19033 5098 1 19 . 1 1 3 3 ARG CB C 3 29.313 29.313 31.614 -2.301 19033 5099 1 19 . 1 1 3 3 ARG H H 3 8.600 8.600 8.553 0.047 19033 5100 1 19 . 1 1 4 4 ARG N N 4 122.811 122.811 118.973 3.838 19033 5101 1 19 . 1 1 4 4 ARG HA H 4 5.445 5.445 5.048 0.397 19033 5102 1 19 . 1 1 4 4 ARG CA C 4 51.948 51.948 55.698 -3.750 19033 5103 1 19 . 1 1 4 4 ARG CB C 4 30.814 30.814 33.844 -3.030 19033 5104 1 19 . 1 1 4 4 ARG H H 4 8.458 8.458 8.659 -0.201 19033 5105 1 19 . 1 1 5 5 VAL N N 5 112.133 112.133 116.911 -4.778 19033 5106 1 19 . 1 1 5 5 VAL HA H 5 5.084 5.084 4.943 0.141 19033 5107 1 19 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.688 -3.794 19033 5108 1 19 . 1 1 5 5 VAL CB C 5 33.614 33.614 36.029 -2.415 19033 5109 1 19 . 1 1 5 5 VAL H H 5 8.173 8.173 8.719 -0.546 19033 5110 1 19 . 1 1 6 6 ARG N N 6 120.981 120.981 121.002 -0.021 19033 5111 1 19 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.425 1.190 19033 5112 1 19 . 1 1 6 6 ARG CA C 6 50.883 50.883 53.938 -3.055 19033 5113 1 19 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.416 -1.752 19033 5114 1 19 . 1 1 6 6 ARG H H 6 9.102 9.102 8.559 0.543 19033 5115 1 19 . 1 1 7 7 ALA N N 7 127.309 127.309 128.678 -1.369 19033 5116 1 19 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.538 0.287 19033 5117 1 19 . 1 1 7 7 ALA CA C 7 50.010 50.010 52.570 -2.560 19033 5118 1 19 . 1 1 7 7 ALA CB C 7 18.560 18.560 19.909 -1.349 19033 5119 1 19 . 1 1 7 7 ALA H H 7 9.300 9.300 8.468 0.832 19033 5120 1 19 . 1 1 8 8 ILE N N 8 119.944 119.944 114.164 5.780 19033 5121 1 19 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.574 -0.281 19033 5122 1 19 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.817 -1.744 19033 5123 1 19 . 1 1 8 8 ILE CB C 8 36.125 36.125 38.544 -2.419 19033 5124 1 19 . 1 1 8 8 ILE H H 8 9.095 9.095 8.602 0.493 19033 5125 1 19 . 1 1 9 9 LEU N N 9 123.267 123.267 121.267 2.000 19033 5126 1 19 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.875 -0.326 19033 5127 1 19 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.776 -2.841 19033 5128 1 19 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.316 -0.434 19033 5129 1 19 . 1 1 9 9 LEU H H 9 7.738 7.738 7.628 0.110 19033 5130 1 19 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.972 -0.438 19033 5131 1 19 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.513 -3.367 19033 5132 1 19 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.813 -2.448 19033 5133 1 19 . 1 1 11 11 TYR N N 11 117.178 117.178 119.685 -2.507 19033 5134 1 19 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.650 -0.580 19033 5135 1 19 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.752 -1.449 19033 5136 1 19 . 1 1 11 11 TYR CB C 11 39.864 39.864 42.281 -2.417 19033 5137 1 19 . 1 1 11 11 TYR H H 11 7.754 7.754 8.409 -0.655 19033 5138 1 19 . 1 1 12 12 THR N N 12 125.004 125.004 119.715 5.289 19033 5139 1 19 . 1 1 12 12 THR HA H 12 4.224 4.224 4.493 -0.269 19033 5140 1 19 . 1 1 12 12 THR CA C 12 57.833 57.833 61.017 -3.184 19033 5141 1 19 . 1 1 12 12 THR CB C 12 66.962 66.962 69.496 -2.534 19033 5142 1 19 . 1 1 12 12 THR H H 12 7.149 7.149 7.679 -0.530 19033 5143 1 19 . 1 1 13 13 LYS N N 13 123.175 123.175 124.280 -1.105 19033 5144 1 19 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.381 -0.233 19033 5145 1 19 . 1 1 13 13 LYS CA C 13 52.749 52.749 55.788 -3.039 19033 5146 1 19 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.127 -2.777 19033 5147 1 19 . 1 1 13 13 LYS H H 13 8.121 8.121 8.248 -0.127 19033 5148 1 19 . 1 1 14 14 VAL N N 14 126.091 126.091 122.687 3.404 19033 5149 1 19 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.146 -0.098 19033 5150 1 19 . 1 1 14 14 VAL CA C 14 58.059 58.059 60.310 -2.251 19033 5151 1 19 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.442 -2.048 19033 5152 1 19 . 1 1 14 14 VAL H H 14 8.061 8.061 8.774 -0.713 19033 5153 1 19 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.479 -0.359 19033 5154 1 19 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.783 -2.733 19033 5155 1 19 . 1 1 15 15 PRO CB C 15 29.695 29.695 31.867 -2.172 19033 5156 1 19 . 1 1 16 16 ASP N N 16 115.188 115.188 119.137 -3.949 19033 5157 1 19 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.405 -0.118 19033 5158 1 19 . 1 1 16 16 ASP CA C 16 53.189 53.189 54.993 -1.804 19033 5159 1 19 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.376 -4.065 19033 5160 1 19 . 1 1 16 16 ASP H H 16 8.808 8.808 8.756 0.052 19033 5161 1 19 . 1 1 17 17 THR N N 17 106.185 106.185 110.586 -4.401 19033 5162 1 19 . 1 1 17 17 THR HA H 17 4.704 4.704 4.656 0.048 19033 5163 1 19 . 1 1 17 17 THR CA C 17 58.069 58.069 60.345 -2.276 19033 5164 1 19 . 1 1 17 17 THR CB C 17 70.764 70.764 71.254 -0.491 19033 5165 1 19 . 1 1 17 17 THR H H 17 7.264 7.264 7.519 -0.255 19033 5166 1 19 . 1 1 18 18 ASP N N 18 117.426 117.426 120.009 -2.583 19033 5167 1 19 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.834 0.129 19033 5168 1 19 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.303 -2.383 19033 5169 1 19 . 1 1 18 18 ASP CB C 18 38.059 38.059 39.847 -1.788 19033 5170 1 19 . 1 1 18 18 ASP H H 18 8.855 8.855 8.670 0.185 19033 5171 1 19 . 1 1 19 19 GLU N N 19 119.666 119.666 118.196 1.470 19033 5172 1 19 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.548 0.146 19033 5173 1 19 . 1 1 19 19 GLU CA C 19 54.515 54.515 55.227 -0.712 19033 5174 1 19 . 1 1 19 19 GLU CB C 19 29.535 29.535 33.343 -3.808 19033 5175 1 19 . 1 1 19 19 GLU H H 19 7.603 7.603 7.411 0.192 19033 5176 1 19 . 1 1 20 20 ILE N N 20 109.127 109.127 115.093 -5.966 19033 5177 1 19 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.525 0.328 19033 5178 1 19 . 1 1 20 20 ILE CA C 20 56.257 56.257 60.300 -4.043 19033 5179 1 19 . 1 1 20 20 ILE CB C 20 38.401 38.401 39.867 -1.466 19033 5180 1 19 . 1 1 20 20 ILE H H 20 6.909 6.909 8.330 -1.421 19033 5181 1 19 . 1 1 21 21 SER N N 21 117.834 117.834 121.469 -3.635 19033 5182 1 19 . 1 1 21 21 SER HA H 21 4.796 4.796 4.375 0.421 19033 5183 1 19 . 1 1 21 21 SER CA C 21 54.907 54.907 58.265 -3.358 19033 5184 1 19 . 1 1 21 21 SER CB C 21 61.426 61.426 63.749 -2.323 19033 5185 1 19 . 1 1 21 21 SER H H 21 8.738 8.738 8.418 0.320 19033 5186 1 19 . 1 1 22 22 PHE N N 22 116.177 116.177 118.702 -2.525 19033 5187 1 19 . 1 1 22 22 PHE HA H 22 4.665 4.665 4.968 -0.303 19033 5188 1 19 . 1 1 22 22 PHE CA C 22 53.807 53.807 56.914 -3.107 19033 5189 1 19 . 1 1 22 22 PHE CB C 22 38.324 38.324 40.944 -2.620 19033 5190 1 19 . 1 1 22 22 PHE H H 22 8.860 8.860 7.437 1.423 19033 5191 1 19 . 1 1 23 23 LEU N N 23 121.283 121.283 120.353 0.930 19033 5192 1 19 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.885 -0.274 19033 5193 1 19 . 1 1 23 23 LEU CA C 23 49.953 49.953 52.840 -2.887 19033 5194 1 19 . 1 1 23 23 LEU CB C 23 41.634 41.634 44.770 -3.136 19033 5195 1 19 . 1 1 23 23 LEU H H 23 8.681 8.681 9.006 -0.325 19033 5196 1 19 . 1 1 24 24 LYS N N 24 119.660 119.660 120.768 -1.108 19033 5197 1 19 . 1 1 24 24 LYS HA H 24 3.322 3.322 4.025 -0.703 19033 5198 1 19 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.391 -1.963 19033 5199 1 19 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.141 -2.154 19033 5200 1 19 . 1 1 24 24 LYS H H 24 8.076 8.076 8.638 -0.562 19033 5201 1 19 . 1 1 25 25 GLY N N 25 115.402 115.402 114.003 1.399 19033 5202 1 19 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.702 -2.389 19033 5203 1 19 . 1 1 25 25 GLY H H 25 8.569 8.569 8.553 0.016 19033 5204 1 19 . 1 1 26 26 ASP N N 26 122.287 122.287 122.609 -0.322 19033 5205 1 19 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.668 -0.361 19033 5206 1 19 . 1 1 26 26 ASP CA C 26 53.273 53.273 54.176 -0.903 19033 5207 1 19 . 1 1 26 26 ASP CB C 26 37.932 37.932 41.804 -3.872 19033 5208 1 19 . 1 1 26 26 ASP H H 26 7.847 7.847 7.614 0.233 19033 5209 1 19 . 1 1 27 27 MET N N 27 119.570 119.570 115.239 4.331 19033 5210 1 19 . 1 1 27 27 MET HA H 27 5.070 5.070 4.249 0.821 19033 5211 1 19 . 1 1 27 27 MET CA C 27 50.485 50.485 54.503 -4.018 19033 5212 1 19 . 1 1 27 27 MET CB C 27 32.786 32.786 36.929 -4.143 19033 5213 1 19 . 1 1 27 27 MET H H 27 8.117 8.117 8.157 -0.040 19033 5214 1 19 . 1 1 28 28 PHE N N 28 116.911 116.911 116.854 0.057 19033 5215 1 19 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.655 0.004 19033 5216 1 19 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.222 -2.985 19033 5217 1 19 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.355 -4.229 19033 5218 1 19 . 1 1 28 28 PHE H H 28 8.909 8.909 8.669 0.240 19033 5219 1 19 . 1 1 29 29 ILE N N 29 118.126 118.126 117.013 1.113 19033 5220 1 19 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.781 -0.227 19033 5221 1 19 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.557 -3.009 19033 5222 1 19 . 1 1 29 29 ILE CB C 29 37.618 37.618 39.983 -2.365 19033 5223 1 19 . 1 1 29 29 ILE H H 29 8.060 8.060 8.236 -0.176 19033 5224 1 19 . 1 1 30 30 VAL N N 30 125.411 125.411 126.105 -0.694 19033 5225 1 19 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.855 0.009 19033 5226 1 19 . 1 1 30 30 VAL CA C 30 59.874 59.874 64.353 -4.479 19033 5227 1 19 . 1 1 30 30 VAL CB C 30 29.863 29.863 31.517 -1.655 19033 5228 1 19 . 1 1 30 30 VAL H H 30 8.331 8.331 8.491 -0.160 19033 5229 1 19 . 1 1 31 31 HIS N N 31 127.208 127.208 126.798 0.410 19033 5230 1 19 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.925 -0.227 19033 5231 1 19 . 1 1 31 31 HIS CA C 31 54.672 54.672 56.412 -1.740 19033 5232 1 19 . 1 1 31 31 HIS CB C 31 28.040 28.040 33.408 -5.368 19033 5233 1 19 . 1 1 31 31 HIS H H 31 9.289 9.289 9.118 0.171 19033 5234 1 19 . 1 1 32 32 ASN N N 32 112.446 112.446 117.750 -5.304 19033 5235 1 19 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.957 -0.007 19033 5236 1 19 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.962 -2.290 19033 5237 1 19 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.387 -2.097 19033 5238 1 19 . 1 1 32 32 ASN H H 32 7.866 7.866 8.183 -0.317 19033 5239 1 19 . 1 1 33 33 GLU N N 33 123.553 123.553 121.512 2.041 19033 5240 1 19 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.683 -0.278 19033 5241 1 19 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.965 -1.861 19033 5242 1 19 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.489 -3.811 19033 5243 1 19 . 1 1 33 33 GLU H H 33 8.723 8.723 8.706 0.017 19033 5244 1 19 . 1 1 34 34 LEU N N 34 125.739 125.739 125.787 -0.048 19033 5245 1 19 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.660 -0.010 19033 5246 1 19 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.975 -2.631 19033 5247 1 19 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.792 -3.979 19033 5248 1 19 . 1 1 34 34 LEU H H 34 8.488 8.488 8.476 0.012 19033 5249 1 19 . 1 1 35 35 GLU N N 35 117.915 117.915 121.437 -3.522 19033 5250 1 19 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.614 -0.325 19033 5251 1 19 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.633 -2.201 19033 5252 1 19 . 1 1 35 35 GLU CB C 35 27.756 27.756 30.208 -2.452 19033 5253 1 19 . 1 1 35 35 GLU H H 35 8.174 8.174 8.536 -0.362 19033 5254 1 19 . 1 1 36 36 ASP N N 36 116.640 116.640 123.331 -6.691 19033 5255 1 19 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.745 -0.382 19033 5256 1 19 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.980 -2.588 19033 5257 1 19 . 1 1 36 36 ASP CB C 36 37.268 37.268 41.058 -3.790 19033 5258 1 19 . 1 1 36 36 ASP H H 36 8.755 8.755 8.609 0.146 19033 5259 1 19 . 1 1 37 37 GLY N N 37 104.775 104.775 107.187 -2.412 19033 5260 1 19 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.283 -2.217 19033 5261 1 19 . 1 1 37 37 GLY H H 37 8.235 8.235 8.367 -0.132 19033 5262 1 19 . 1 1 38 38 TRP N N 38 119.789 119.789 120.764 -0.975 19033 5263 1 19 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.165 -0.213 19033 5264 1 19 . 1 1 38 38 TRP CA C 38 54.689 54.689 56.601 -1.912 19033 5265 1 19 . 1 1 38 38 TRP CB C 38 28.348 28.348 31.012 -2.663 19033 5266 1 19 . 1 1 38 38 TRP H H 38 7.331 7.331 7.758 -0.427 19033 5267 1 19 . 1 1 39 39 MET N N 39 118.460 118.460 117.794 0.666 19033 5268 1 19 . 1 1 39 39 MET HA H 39 4.941 4.941 4.948 -0.007 19033 5269 1 19 . 1 1 39 39 MET CA C 39 52.194 52.194 54.918 -2.724 19033 5270 1 19 . 1 1 39 39 MET CB C 39 35.101 35.101 37.522 -2.421 19033 5271 1 19 . 1 1 39 39 MET H H 39 9.330 9.330 9.380 -0.050 19033 5272 1 19 . 1 1 40 40 TRP N N 40 123.201 123.201 124.754 -1.553 19033 5273 1 19 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.178 -0.110 19033 5274 1 19 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.045 -3.724 19033 5275 1 19 . 1 1 40 40 TRP CB C 40 27.857 27.857 32.015 -4.158 19033 5276 1 19 . 1 1 40 40 TRP H H 40 8.777 8.777 8.612 0.165 19033 5277 1 19 . 1 1 41 41 VAL N N 41 120.754 120.754 118.763 1.991 19033 5278 1 19 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.486 -0.039 19033 5279 1 19 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.032 -2.321 19033 5280 1 19 . 1 1 41 41 VAL CB C 41 34.428 34.428 34.219 0.209 19033 5281 1 19 . 1 1 41 41 VAL H H 41 8.755 8.755 7.820 0.935 19033 5282 1 19 . 1 1 42 42 THR N N 42 112.967 112.967 113.431 -0.464 19033 5283 1 19 . 1 1 42 42 THR HA H 42 4.999 4.999 4.889 0.110 19033 5284 1 19 . 1 1 42 42 THR CA C 42 59.763 59.763 61.493 -1.730 19033 5285 1 19 . 1 1 42 42 THR CB C 42 68.696 68.696 72.355 -3.659 19033 5286 1 19 . 1 1 42 42 THR H H 42 8.142 8.142 8.024 0.118 19033 5287 1 19 . 1 1 43 43 ASN N N 43 124.680 124.680 120.842 3.838 19033 5288 1 19 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.346 -0.937 19033 5289 1 19 . 1 1 43 43 ASN CA C 43 50.340 50.340 51.469 -1.129 19033 5290 1 19 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.667 -2.881 19033 5291 1 19 . 1 1 43 43 ASN H H 43 8.848 8.848 8.866 -0.018 19033 5292 1 19 . 1 1 44 44 LEU N N 44 126.753 126.753 126.933 -0.180 19033 5293 1 19 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.291 -0.242 19033 5294 1 19 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.957 -2.702 19033 5295 1 19 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.271 -2.624 19033 5296 1 19 . 1 1 44 44 LEU H H 44 8.841 8.841 8.356 0.485 19033 5297 1 19 . 1 1 45 45 ARG N N 45 119.154 119.154 120.548 -1.394 19033 5298 1 19 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.158 -0.003 19033 5299 1 19 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.822 -2.503 19033 5300 1 19 . 1 1 45 45 ARG CB C 45 27.552 27.552 31.000 -3.448 19033 5301 1 19 . 1 1 45 45 ARG H H 45 8.452 8.452 8.485 -0.033 19033 5302 1 19 . 1 1 46 46 THR N N 46 105.128 105.128 106.199 -1.071 19033 5303 1 19 . 1 1 46 46 THR HA H 46 4.180 4.180 4.516 -0.336 19033 5304 1 19 . 1 1 46 46 THR CA C 46 58.368 58.368 61.825 -3.458 19033 5305 1 19 . 1 1 46 46 THR CB C 46 67.991 67.991 70.601 -2.610 19033 5306 1 19 . 1 1 46 46 THR H H 46 6.842 6.842 7.626 -0.784 19033 5307 1 19 . 1 1 47 47 ASP N N 47 120.147 120.147 119.490 0.657 19033 5308 1 19 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.376 -0.103 19033 5309 1 19 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.672 -2.079 19033 5310 1 19 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.322 -2.574 19033 5311 1 19 . 1 1 47 47 ASP H H 47 8.650 8.650 8.490 0.160 19033 5312 1 19 . 1 1 48 48 GLU N N 48 117.574 117.574 118.245 -0.671 19033 5313 1 19 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.196 0.098 19033 5314 1 19 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.808 -4.065 19033 5315 1 19 . 1 1 48 48 GLU CB C 48 29.503 29.503 30.786 -1.283 19033 5316 1 19 . 1 1 48 48 GLU H H 48 7.454 7.454 7.882 -0.428 19033 5317 1 19 . 1 1 49 49 GLN N N 49 119.154 119.154 121.182 -2.028 19033 5318 1 19 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.401 1.248 19033 5319 1 19 . 1 1 49 49 GLN CA C 49 50.614 50.614 54.723 -4.109 19033 5320 1 19 . 1 1 49 49 GLN CB C 49 29.447 29.447 33.712 -4.265 19033 5321 1 19 . 1 1 49 49 GLN H H 49 8.314 8.314 8.503 -0.189 19033 5322 1 19 . 1 1 50 50 GLY N N 50 108.506 108.506 105.870 2.636 19033 5323 1 19 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.047 -1.792 19033 5324 1 19 . 1 1 50 50 GLY H H 50 7.795 7.795 7.206 0.589 19033 5325 1 19 . 1 1 51 51 LEU N N 51 119.484 119.484 120.702 -1.218 19033 5326 1 19 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.211 0.167 19033 5327 1 19 . 1 1 51 51 LEU CA C 51 51.274 51.274 53.610 -2.336 19033 5328 1 19 . 1 1 51 51 LEU CB C 51 43.574 43.574 44.687 -1.113 19033 5329 1 19 . 1 1 51 51 LEU H H 51 7.748 7.748 7.961 -0.213 19033 5330 1 19 . 1 1 52 52 ILE N N 52 114.127 114.127 116.813 -2.686 19033 5331 1 19 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.679 -0.034 19033 5332 1 19 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.419 -2.079 19033 5333 1 19 . 1 1 52 52 ILE CB C 52 39.906 39.906 40.819 -0.914 19033 5334 1 19 . 1 1 52 52 ILE H H 52 8.802 8.802 8.677 0.125 19033 5335 1 19 . 1 1 53 53 VAL N N 53 120.370 120.370 117.819 2.551 19033 5336 1 19 . 1 1 53 53 VAL HA H 53 4.018 4.018 4.426 -0.408 19033 5337 1 19 . 1 1 53 53 VAL CA C 53 56.467 56.467 59.532 -3.065 19033 5338 1 19 . 1 1 53 53 VAL CB C 53 30.327 30.327 32.277 -1.950 19033 5339 1 19 . 1 1 53 53 VAL H H 53 7.495 7.495 7.916 -0.421 19033 5340 1 19 . 1 1 54 54 GLU N N 54 122.759 122.759 123.733 -0.974 19033 5341 1 19 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.906 -0.316 19033 5342 1 19 . 1 1 54 54 GLU CA C 54 55.564 55.564 59.332 -3.768 19033 5343 1 19 . 1 1 54 54 GLU CB C 54 26.426 26.426 28.967 -2.541 19033 5344 1 19 . 1 1 54 54 GLU H H 54 8.104 8.104 8.378 -0.274 19033 5345 1 19 . 1 1 55 55 ASP N N 55 114.708 114.708 118.872 -4.164 19033 5346 1 19 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.404 -0.200 19033 5347 1 19 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.577 -3.291 19033 5348 1 19 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.742 -2.627 19033 5349 1 19 . 1 1 55 55 ASP H H 55 7.394 7.394 8.314 -0.920 19033 5350 1 19 . 1 1 56 56 LEU N N 56 116.100 116.100 117.037 -0.937 19033 5351 1 19 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.695 -0.297 19033 5352 1 19 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.298 -2.399 19033 5353 1 19 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.183 -3.619 19033 5354 1 19 . 1 1 56 56 LEU H H 56 7.121 7.121 7.355 -0.234 19033 5355 1 19 . 1 1 57 57 VAL N N 57 109.850 109.850 114.281 -4.431 19033 5356 1 19 . 1 1 57 57 VAL HA H 57 5.381 5.381 4.850 0.531 19033 5357 1 19 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.814 -3.254 19033 5358 1 19 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.711 -1.967 19033 5359 1 19 . 1 1 57 57 VAL H H 57 7.438 7.438 7.376 0.062 19033 5360 1 19 . 1 1 58 58 GLU N N 58 116.558 116.558 119.676 -3.118 19033 5361 1 19 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.586 0.249 19033 5362 1 19 . 1 1 58 58 GLU CA C 58 50.156 50.156 54.080 -3.924 19033 5363 1 19 . 1 1 58 58 GLU CB C 58 30.354 30.354 31.753 -1.399 19033 5364 1 19 . 1 1 58 58 GLU H H 58 8.886 8.886 8.814 0.072 19033 5365 1 19 . 1 1 59 59 GLU N N 59 121.900 121.900 120.607 1.293 19033 5366 1 19 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.252 -0.023 19033 5367 1 19 . 1 1 59 59 GLU CA C 59 54.417 54.417 55.760 -1.343 19033 5368 1 19 . 1 1 59 59 GLU CB C 59 27.517 27.517 27.354 0.163 19033 5369 1 19 . 1 1 59 59 GLU H H 59 8.659 8.659 8.802 -0.143 19033 5370 1 19 . 1 1 60 60 VAL N N 60 122.505 122.505 122.218 0.287 19033 5371 1 19 . 1 1 60 60 VAL HA H 60 4.087 4.087 3.962 0.125 19033 5372 1 19 . 1 1 60 60 VAL CA C 60 59.466 59.466 63.095 -3.629 19033 5373 1 19 . 1 1 60 60 VAL CB C 60 30.306 30.306 33.267 -2.961 19033 5374 1 19 . 1 1 60 60 VAL H H 60 8.069 8.069 7.640 0.429 19033 5375 1 19 . 1 1 61 61 GLY N N 61 112.799 112.799 109.907 2.892 19033 5376 1 19 . 1 1 61 61 GLY CA C 61 42.709 42.709 45.413 -2.704 19033 5377 1 19 . 1 1 61 61 GLY H H 61 8.383 8.383 8.338 0.046 19033 5378 1 20 . 1 1 3 3 ARG N N 3 123.172 123.172 119.828 3.344 19033 5379 1 20 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.678 -0.380 19033 5380 1 20 . 1 1 3 3 ARG CA C 3 54.177 54.177 55.512 -1.335 19033 5381 1 20 . 1 1 3 3 ARG CB C 3 29.313 29.313 32.520 -3.207 19033 5382 1 20 . 1 1 3 3 ARG H H 3 8.600 8.600 8.153 0.447 19033 5383 1 20 . 1 1 4 4 ARG N N 4 122.811 122.811 124.232 -1.421 19033 5384 1 20 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.804 0.641 19033 5385 1 20 . 1 1 4 4 ARG CA C 4 51.948 51.948 54.872 -2.924 19033 5386 1 20 . 1 1 4 4 ARG CB C 4 30.814 30.814 35.267 -4.454 19033 5387 1 20 . 1 1 4 4 ARG H H 4 8.458 8.458 8.419 0.039 19033 5388 1 20 . 1 1 5 5 VAL N N 5 112.133 112.133 113.312 -1.179 19033 5389 1 20 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.263 -0.179 19033 5390 1 20 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.097 -3.203 19033 5391 1 20 . 1 1 5 5 VAL CB C 5 33.614 33.614 36.462 -2.848 19033 5392 1 20 . 1 1 5 5 VAL H H 5 8.173 8.173 8.254 -0.081 19033 5393 1 20 . 1 1 6 6 ARG N N 6 120.981 120.981 121.232 -0.251 19033 5394 1 20 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.991 0.624 19033 5395 1 20 . 1 1 6 6 ARG CA C 6 50.883 50.883 54.630 -3.747 19033 5396 1 20 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.946 -2.282 19033 5397 1 20 . 1 1 6 6 ARG H H 6 9.102 9.102 8.642 0.460 19033 5398 1 20 . 1 1 7 7 ALA N N 7 127.309 127.309 130.242 -2.933 19033 5399 1 20 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.849 -0.024 19033 5400 1 20 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.937 -1.927 19033 5401 1 20 . 1 1 7 7 ALA CB C 7 18.560 18.560 19.931 -1.371 19033 5402 1 20 . 1 1 7 7 ALA H H 7 9.300 9.300 9.160 0.140 19033 5403 1 20 . 1 1 8 8 ILE N N 8 119.944 119.944 119.713 0.231 19033 5404 1 20 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.323 -0.030 19033 5405 1 20 . 1 1 8 8 ILE CA C 8 59.073 59.073 61.082 -2.009 19033 5406 1 20 . 1 1 8 8 ILE CB C 8 36.125 36.125 37.737 -1.612 19033 5407 1 20 . 1 1 8 8 ILE H H 8 9.095 9.095 8.368 0.727 19033 5408 1 20 . 1 1 9 9 LEU N N 9 123.267 123.267 119.086 4.181 19033 5409 1 20 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.880 -0.332 19033 5410 1 20 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.536 -2.600 19033 5411 1 20 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.522 -0.640 19033 5412 1 20 . 1 1 9 9 LEU H H 9 7.738 7.738 7.401 0.337 19033 5413 1 20 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.984 -0.450 19033 5414 1 20 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.539 -3.393 19033 5415 1 20 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.643 -2.278 19033 5416 1 20 . 1 1 11 11 TYR N N 11 117.178 117.178 120.605 -3.427 19033 5417 1 20 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.803 -0.733 19033 5418 1 20 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.568 -1.265 19033 5419 1 20 . 1 1 11 11 TYR CB C 11 39.864 39.864 42.594 -2.731 19033 5420 1 20 . 1 1 11 11 TYR H H 11 7.754 7.754 9.003 -1.249 19033 5421 1 20 . 1 1 12 12 THR N N 12 125.004 125.004 115.679 9.325 19033 5422 1 20 . 1 1 12 12 THR HA H 12 4.224 4.224 4.555 -0.331 19033 5423 1 20 . 1 1 12 12 THR CA C 12 57.833 57.833 59.648 -1.815 19033 5424 1 20 . 1 1 12 12 THR CB C 12 66.962 66.962 70.122 -3.160 19033 5425 1 20 . 1 1 12 12 THR H H 12 7.149 7.149 7.417 -0.268 19033 5426 1 20 . 1 1 13 13 LYS N N 13 123.175 123.175 123.723 -0.548 19033 5427 1 20 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.540 -0.392 19033 5428 1 20 . 1 1 13 13 LYS CA C 13 52.749 52.749 55.088 -2.339 19033 5429 1 20 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.621 -3.271 19033 5430 1 20 . 1 1 13 13 LYS H H 13 8.121 8.121 8.164 -0.043 19033 5431 1 20 . 1 1 14 14 VAL N N 14 126.091 126.091 121.306 4.785 19033 5432 1 20 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.173 -0.125 19033 5433 1 20 . 1 1 14 14 VAL CA C 14 58.059 58.059 59.787 -1.728 19033 5434 1 20 . 1 1 14 14 VAL CB C 14 29.394 29.394 32.242 -2.848 19033 5435 1 20 . 1 1 14 14 VAL H H 14 8.061 8.061 8.592 -0.531 19033 5436 1 20 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.514 -0.394 19033 5437 1 20 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.360 -2.310 19033 5438 1 20 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.042 -2.347 19033 5439 1 20 . 1 1 16 16 ASP N N 16 115.188 115.188 119.705 -4.517 19033 5440 1 20 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.353 -0.066 19033 5441 1 20 . 1 1 16 16 ASP CA C 16 53.189 53.189 54.883 -1.694 19033 5442 1 20 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.210 -3.899 19033 5443 1 20 . 1 1 16 16 ASP H H 16 8.808 8.808 8.705 0.103 19033 5444 1 20 . 1 1 17 17 THR N N 17 106.185 106.185 109.199 -3.014 19033 5445 1 20 . 1 1 17 17 THR HA H 17 4.704 4.704 4.547 0.157 19033 5446 1 20 . 1 1 17 17 THR CA C 17 58.069 58.069 59.990 -1.921 19033 5447 1 20 . 1 1 17 17 THR CB C 17 70.764 70.764 71.064 -0.300 19033 5448 1 20 . 1 1 17 17 THR H H 17 7.264 7.264 7.524 -0.260 19033 5449 1 20 . 1 1 18 18 ASP N N 18 117.426 117.426 120.053 -2.627 19033 5450 1 20 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.636 0.327 19033 5451 1 20 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.397 -2.477 19033 5452 1 20 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.897 -2.838 19033 5453 1 20 . 1 1 18 18 ASP H H 18 8.855 8.855 8.565 0.290 19033 5454 1 20 . 1 1 19 19 GLU N N 19 119.666 119.666 118.753 0.913 19033 5455 1 20 . 1 1 19 19 GLU HA H 19 4.694 4.694 3.980 0.714 19033 5456 1 20 . 1 1 19 19 GLU CA C 19 54.515 54.515 57.181 -2.666 19033 5457 1 20 . 1 1 19 19 GLU CB C 19 29.535 29.535 30.843 -1.308 19033 5458 1 20 . 1 1 19 19 GLU H H 19 7.603 7.603 7.404 0.199 19033 5459 1 20 . 1 1 20 20 ILE N N 20 109.127 109.127 114.100 -4.973 19033 5460 1 20 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.287 0.566 19033 5461 1 20 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.224 -2.967 19033 5462 1 20 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.584 -2.183 19033 5463 1 20 . 1 1 20 20 ILE H H 20 6.909 6.909 7.662 -0.753 19033 5464 1 20 . 1 1 21 21 SER N N 21 117.834 117.834 120.368 -2.534 19033 5465 1 20 . 1 1 21 21 SER HA H 21 4.796 4.796 4.587 0.209 19033 5466 1 20 . 1 1 21 21 SER CA C 21 54.907 54.907 57.264 -2.357 19033 5467 1 20 . 1 1 21 21 SER CB C 21 61.426 61.426 63.605 -2.179 19033 5468 1 20 . 1 1 21 21 SER H H 21 8.738 8.738 7.886 0.852 19033 5469 1 20 . 1 1 22 22 PHE N N 22 116.177 116.177 122.557 -6.380 19033 5470 1 20 . 1 1 22 22 PHE HA H 22 4.665 4.665 4.796 -0.131 19033 5471 1 20 . 1 1 22 22 PHE CA C 22 53.807 53.807 57.123 -3.317 19033 5472 1 20 . 1 1 22 22 PHE CB C 22 38.324 38.324 42.195 -3.871 19033 5473 1 20 . 1 1 22 22 PHE H H 22 8.860 8.860 8.021 0.839 19033 5474 1 20 . 1 1 23 23 LEU N N 23 121.283 121.283 120.866 0.417 19033 5475 1 20 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.713 -0.102 19033 5476 1 20 . 1 1 23 23 LEU CA C 23 49.953 49.953 54.121 -4.168 19033 5477 1 20 . 1 1 23 23 LEU CB C 23 41.634 41.634 43.321 -1.687 19033 5478 1 20 . 1 1 23 23 LEU H H 23 8.681 8.681 8.951 -0.270 19033 5479 1 20 . 1 1 24 24 LYS N N 24 119.660 119.660 119.865 -0.205 19033 5480 1 20 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.849 -0.527 19033 5481 1 20 . 1 1 24 24 LYS CA C 24 56.428 56.428 57.966 -1.538 19033 5482 1 20 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.689 -2.702 19033 5483 1 20 . 1 1 24 24 LYS H H 24 8.076 8.076 8.204 -0.128 19033 5484 1 20 . 1 1 25 25 GLY N N 25 115.402 115.402 113.407 1.995 19033 5485 1 20 . 1 1 25 25 GLY CA C 25 42.313 42.313 45.160 -2.847 19033 5486 1 20 . 1 1 25 25 GLY H H 25 8.569 8.569 8.896 -0.327 19033 5487 1 20 . 1 1 26 26 ASP N N 26 122.287 122.287 120.663 1.624 19033 5488 1 20 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.535 -0.228 19033 5489 1 20 . 1 1 26 26 ASP CA C 26 53.273 53.273 53.905 -0.632 19033 5490 1 20 . 1 1 26 26 ASP CB C 26 37.932 37.932 41.971 -4.039 19033 5491 1 20 . 1 1 26 26 ASP H H 26 7.847 7.847 7.642 0.205 19033 5492 1 20 . 1 1 27 27 MET N N 27 119.570 119.570 118.372 1.198 19033 5493 1 20 . 1 1 27 27 MET HA H 27 5.070 5.070 4.659 0.411 19033 5494 1 20 . 1 1 27 27 MET CA C 27 50.485 50.485 54.613 -4.128 19033 5495 1 20 . 1 1 27 27 MET CB C 27 32.786 32.786 36.488 -3.702 19033 5496 1 20 . 1 1 27 27 MET H H 27 8.117 8.117 8.120 -0.003 19033 5497 1 20 . 1 1 28 28 PHE N N 28 116.911 116.911 119.115 -2.204 19033 5498 1 20 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.823 -0.164 19033 5499 1 20 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.552 -3.315 19033 5500 1 20 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.501 -4.373 19033 5501 1 20 . 1 1 28 28 PHE H H 28 8.909 8.909 8.921 -0.012 19033 5502 1 20 . 1 1 29 29 ILE N N 29 118.126 118.126 115.881 2.245 19033 5503 1 20 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.760 -0.206 19033 5504 1 20 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.554 -3.006 19033 5505 1 20 . 1 1 29 29 ILE CB C 29 37.618 37.618 41.261 -3.643 19033 5506 1 20 . 1 1 29 29 ILE H H 29 8.060 8.060 8.230 -0.170 19033 5507 1 20 . 1 1 30 30 VAL N N 30 125.411 125.411 124.741 0.670 19033 5508 1 20 . 1 1 30 30 VAL HA H 30 3.864 3.864 4.018 -0.154 19033 5509 1 20 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.321 -3.447 19033 5510 1 20 . 1 1 30 30 VAL CB C 30 29.863 29.863 31.119 -1.256 19033 5511 1 20 . 1 1 30 30 VAL H H 30 8.331 8.331 8.575 -0.244 19033 5512 1 20 . 1 1 31 31 HIS N N 31 127.208 127.208 127.543 -0.335 19033 5513 1 20 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.890 -0.192 19033 5514 1 20 . 1 1 31 31 HIS CA C 31 54.672 54.672 56.833 -2.161 19033 5515 1 20 . 1 1 31 31 HIS CB C 31 28.040 28.040 32.185 -4.146 19033 5516 1 20 . 1 1 31 31 HIS H H 31 9.289 9.289 8.882 0.407 19033 5517 1 20 . 1 1 32 32 ASN N N 32 112.446 112.446 117.229 -4.783 19033 5518 1 20 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.898 0.052 19033 5519 1 20 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.887 -2.215 19033 5520 1 20 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.462 -2.172 19033 5521 1 20 . 1 1 32 32 ASN H H 32 7.866 7.866 7.858 0.008 19033 5522 1 20 . 1 1 33 33 GLU N N 33 123.553 123.553 118.541 5.012 19033 5523 1 20 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.696 -0.291 19033 5524 1 20 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.971 -1.867 19033 5525 1 20 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.406 -3.728 19033 5526 1 20 . 1 1 33 33 GLU H H 33 8.723 8.723 8.595 0.128 19033 5527 1 20 . 1 1 34 34 LEU N N 34 125.739 125.739 125.552 0.187 19033 5528 1 20 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.657 -0.007 19033 5529 1 20 . 1 1 34 34 LEU CA C 34 51.344 51.344 54.010 -2.666 19033 5530 1 20 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.666 -3.853 19033 5531 1 20 . 1 1 34 34 LEU H H 34 8.488 8.488 8.569 -0.081 19033 5532 1 20 . 1 1 35 35 GLU N N 35 117.915 117.915 120.866 -2.951 19033 5533 1 20 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.597 -0.308 19033 5534 1 20 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.605 -2.173 19033 5535 1 20 . 1 1 35 35 GLU CB C 35 27.756 27.756 29.951 -2.195 19033 5536 1 20 . 1 1 35 35 GLU H H 35 8.174 8.174 8.653 -0.479 19033 5537 1 20 . 1 1 36 36 ASP N N 36 116.640 116.640 121.672 -5.032 19033 5538 1 20 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.712 -0.349 19033 5539 1 20 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.932 -2.540 19033 5540 1 20 . 1 1 36 36 ASP CB C 36 37.268 37.268 40.841 -3.573 19033 5541 1 20 . 1 1 36 36 ASP H H 36 8.755 8.755 8.267 0.488 19033 5542 1 20 . 1 1 37 37 GLY N N 37 104.775 104.775 106.487 -1.712 19033 5543 1 20 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.362 -2.296 19033 5544 1 20 . 1 1 37 37 GLY H H 37 8.235 8.235 8.512 -0.277 19033 5545 1 20 . 1 1 38 38 TRP N N 38 119.789 119.789 119.229 0.560 19033 5546 1 20 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.146 -0.194 19033 5547 1 20 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.345 -0.656 19033 5548 1 20 . 1 1 38 38 TRP CB C 38 28.348 28.348 33.071 -4.723 19033 5549 1 20 . 1 1 38 38 TRP H H 38 7.331 7.331 7.586 -0.255 19033 5550 1 20 . 1 1 39 39 MET N N 39 118.460 118.460 118.071 0.389 19033 5551 1 20 . 1 1 39 39 MET HA H 39 4.941 4.941 4.944 -0.003 19033 5552 1 20 . 1 1 39 39 MET CA C 39 52.194 52.194 54.810 -2.616 19033 5553 1 20 . 1 1 39 39 MET CB C 39 35.101 35.101 37.379 -2.278 19033 5554 1 20 . 1 1 39 39 MET H H 39 9.330 9.330 9.144 0.186 19033 5555 1 20 . 1 1 40 40 TRP N N 40 123.201 123.201 126.384 -3.183 19033 5556 1 20 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.118 -0.050 19033 5557 1 20 . 1 1 40 40 TRP CA C 40 54.321 54.321 57.560 -3.239 19033 5558 1 20 . 1 1 40 40 TRP CB C 40 27.857 27.857 30.657 -2.800 19033 5559 1 20 . 1 1 40 40 TRP H H 40 8.777 8.777 8.801 -0.024 19033 5560 1 20 . 1 1 41 41 VAL N N 41 120.754 120.754 118.520 2.234 19033 5561 1 20 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.526 -0.079 19033 5562 1 20 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.306 -2.595 19033 5563 1 20 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.405 -0.977 19033 5564 1 20 . 1 1 41 41 VAL H H 41 8.755 8.755 8.693 0.062 19033 5565 1 20 . 1 1 42 42 THR N N 42 112.967 112.967 115.154 -2.187 19033 5566 1 20 . 1 1 42 42 THR HA H 42 4.999 4.999 4.895 0.104 19033 5567 1 20 . 1 1 42 42 THR CA C 42 59.763 59.763 62.030 -2.267 19033 5568 1 20 . 1 1 42 42 THR CB C 42 68.696 68.696 70.867 -2.171 19033 5569 1 20 . 1 1 42 42 THR H H 42 8.142 8.142 8.392 -0.250 19033 5570 1 20 . 1 1 43 43 ASN N N 43 124.680 124.680 123.316 1.364 19033 5571 1 20 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.098 -0.689 19033 5572 1 20 . 1 1 43 43 ASN CA C 43 50.340 50.340 51.747 -1.407 19033 5573 1 20 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.222 -2.436 19033 5574 1 20 . 1 1 43 43 ASN H H 43 8.848 8.848 8.801 0.047 19033 5575 1 20 . 1 1 44 44 LEU N N 44 126.753 126.753 125.916 0.837 19033 5576 1 20 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.309 -0.260 19033 5577 1 20 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.300 -2.045 19033 5578 1 20 . 1 1 44 44 LEU CB C 44 38.647 38.647 40.941 -2.293 19033 5579 1 20 . 1 1 44 44 LEU H H 44 8.841 8.841 7.950 0.891 19033 5580 1 20 . 1 1 45 45 ARG N N 45 119.154 119.154 118.830 0.324 19033 5581 1 20 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.137 0.018 19033 5582 1 20 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.358 -2.039 19033 5583 1 20 . 1 1 45 45 ARG CB C 45 27.552 27.552 30.538 -2.986 19033 5584 1 20 . 1 1 45 45 ARG H H 45 8.452 8.452 8.046 0.406 19033 5585 1 20 . 1 1 46 46 THR N N 46 105.128 105.128 111.389 -6.261 19033 5586 1 20 . 1 1 46 46 THR HA H 46 4.180 4.180 4.405 -0.225 19033 5587 1 20 . 1 1 46 46 THR CA C 46 58.368 58.368 62.465 -4.097 19033 5588 1 20 . 1 1 46 46 THR CB C 46 67.991 67.991 69.420 -1.429 19033 5589 1 20 . 1 1 46 46 THR H H 46 6.842 6.842 7.594 -0.752 19033 5590 1 20 . 1 1 47 47 ASP N N 47 120.147 120.147 121.014 -0.867 19033 5591 1 20 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.255 0.018 19033 5592 1 20 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.585 -1.992 19033 5593 1 20 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.512 -2.764 19033 5594 1 20 . 1 1 47 47 ASP H H 47 8.650 8.650 8.013 0.637 19033 5595 1 20 . 1 1 48 48 GLU N N 48 117.574 117.574 119.004 -1.430 19033 5596 1 20 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.259 0.035 19033 5597 1 20 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.251 -3.508 19033 5598 1 20 . 1 1 48 48 GLU CB C 48 29.503 29.503 29.448 0.055 19033 5599 1 20 . 1 1 48 48 GLU H H 48 7.454 7.454 7.959 -0.505 19033 5600 1 20 . 1 1 49 49 GLN N N 49 119.154 119.154 124.312 -5.158 19033 5601 1 20 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.830 0.819 19033 5602 1 20 . 1 1 49 49 GLN CA C 49 50.614 50.614 56.084 -5.470 19033 5603 1 20 . 1 1 49 49 GLN CB C 49 29.447 29.447 30.115 -0.668 19033 5604 1 20 . 1 1 49 49 GLN H H 49 8.314 8.314 8.090 0.224 19033 5605 1 20 . 1 1 50 50 GLY N N 50 108.506 108.506 105.957 2.549 19033 5606 1 20 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.031 -1.776 19033 5607 1 20 . 1 1 50 50 GLY H H 50 7.795 7.795 8.036 -0.241 19033 5608 1 20 . 1 1 51 51 LEU N N 51 119.484 119.484 121.360 -1.876 19033 5609 1 20 . 1 1 51 51 LEU HA H 51 5.378 5.378 4.823 0.555 19033 5610 1 20 . 1 1 51 51 LEU CA C 51 51.274 51.274 54.893 -3.619 19033 5611 1 20 . 1 1 51 51 LEU CB C 51 43.574 43.574 42.811 0.763 19033 5612 1 20 . 1 1 51 51 LEU H H 51 7.748 7.748 7.566 0.182 19033 5613 1 20 . 1 1 52 52 ILE N N 52 114.127 114.127 116.863 -2.736 19033 5614 1 20 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.721 -0.076 19033 5615 1 20 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.249 -1.909 19033 5616 1 20 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.280 -1.374 19033 5617 1 20 . 1 1 52 52 ILE H H 52 8.802 8.802 8.991 -0.189 19033 5618 1 20 . 1 1 53 53 VAL N N 53 120.370 120.370 122.289 -1.919 19033 5619 1 20 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.709 0.309 19033 5620 1 20 . 1 1 53 53 VAL CA C 53 56.467 56.467 60.087 -3.620 19033 5621 1 20 . 1 1 53 53 VAL CB C 53 30.327 30.327 32.896 -2.569 19033 5622 1 20 . 1 1 53 53 VAL H H 53 7.495 7.495 8.144 -0.649 19033 5623 1 20 . 1 1 54 54 GLU N N 54 122.759 122.759 126.754 -3.995 19033 5624 1 20 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.995 -0.405 19033 5625 1 20 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.443 -2.879 19033 5626 1 20 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.222 -2.796 19033 5627 1 20 . 1 1 54 54 GLU H H 54 8.104 8.104 8.130 -0.026 19033 5628 1 20 . 1 1 55 55 ASP N N 55 114.708 114.708 119.701 -4.993 19033 5629 1 20 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.368 -0.164 19033 5630 1 20 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.296 -3.010 19033 5631 1 20 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.765 -2.650 19033 5632 1 20 . 1 1 55 55 ASP H H 55 7.394 7.394 8.345 -0.951 19033 5633 1 20 . 1 1 56 56 LEU N N 56 116.100 116.100 118.233 -2.133 19033 5634 1 20 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.665 -0.267 19033 5635 1 20 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.171 -2.272 19033 5636 1 20 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.544 -3.980 19033 5637 1 20 . 1 1 56 56 LEU H H 56 7.121 7.121 7.377 -0.256 19033 5638 1 20 . 1 1 57 57 VAL N N 57 109.850 109.850 115.963 -6.113 19033 5639 1 20 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.064 0.317 19033 5640 1 20 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.487 -2.927 19033 5641 1 20 . 1 1 57 57 VAL CB C 57 33.744 33.744 34.487 -0.744 19033 5642 1 20 . 1 1 57 57 VAL H H 57 7.438 7.438 7.350 0.088 19033 5643 1 20 . 1 1 58 58 GLU N N 58 116.558 116.558 122.178 -5.620 19033 5644 1 20 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.650 0.185 19033 5645 1 20 . 1 1 58 58 GLU CA C 58 50.156 50.156 54.593 -4.437 19033 5646 1 20 . 1 1 58 58 GLU CB C 58 30.354 30.354 31.603 -1.249 19033 5647 1 20 . 1 1 58 58 GLU H H 58 8.886 8.886 8.965 -0.079 19033 5648 1 20 . 1 1 59 59 GLU N N 59 121.900 121.900 122.567 -0.667 19033 5649 1 20 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.234 -0.005 19033 5650 1 20 . 1 1 59 59 GLU CA C 59 54.417 54.417 57.143 -2.726 19033 5651 1 20 . 1 1 59 59 GLU CB C 59 27.517 27.517 30.122 -2.605 19033 5652 1 20 . 1 1 59 59 GLU H H 59 8.659 8.659 8.618 0.041 19033 5653 1 20 . 1 1 60 60 VAL N N 60 122.505 122.505 123.785 -1.280 19033 5654 1 20 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.407 -0.320 19033 5655 1 20 . 1 1 60 60 VAL CA C 60 59.466 59.466 60.764 -1.298 19033 5656 1 20 . 1 1 60 60 VAL CB C 60 30.306 30.306 34.850 -4.544 19033 5657 1 20 . 1 1 60 60 VAL H H 60 8.069 8.069 8.134 -0.065 19033 5658 1 20 . 1 1 61 61 GLY N N 61 112.799 112.799 110.229 2.570 19033 5659 1 20 . 1 1 61 61 GLY CA C 61 42.709 42.709 44.591 -1.882 19033 5660 1 20 . 1 1 61 61 GLY H H 61 8.383 8.383 8.611 -0.228 19033 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 57 2.673 0.452 2.657 19033 2 1 1 "Average Difference" HA 55 0.336 0.068 0.332 19033 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19033 4 1 1 "Average Difference" CA 59 2.691 2.552 0.860 19033 5 1 1 "Average Difference" CB 55 2.925 2.665 1.217 19033 6 1 1 "Average Difference" HN 57 0.444 0.067 0.443 19033 7 1 2 "Average Difference" N 57 2.720 0.890 2.593 19033 8 1 2 "Average Difference" HA 55 0.329 0.075 0.324 19033 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19033 10 1 2 "Average Difference" CA 59 2.786 2.651 0.864 19033 11 1 2 "Average Difference" CB 55 2.793 2.582 1.075 19033 12 1 2 "Average Difference" HN 57 0.433 0.073 0.431 19033 13 1 3 "Average Difference" N 57 2.809 1.165 2.579 19033 14 1 3 "Average Difference" HA 55 0.343 0.069 0.339 19033 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19033 16 1 3 "Average Difference" CA 59 2.775 2.645 0.847 19033 17 1 3 "Average Difference" CB 55 2.623 2.383 1.106 19033 18 1 3 "Average Difference" HN 57 0.475 0.037 0.478 19033 19 1 4 "Average Difference" N 57 2.802 0.759 2.721 19033 20 1 4 "Average Difference" HA 55 0.294 0.069 0.288 19033 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19033 22 1 4 "Average Difference" CA 59 2.746 2.629 0.800 19033 23 1 4 "Average Difference" CB 55 2.788 2.537 1.166 19033 24 1 4 "Average Difference" HN 57 0.493 0.045 0.496 19033 25 1 5 "Average Difference" N 57 2.854 0.852 2.748 19033 26 1 5 "Average Difference" HA 55 0.338 0.043 0.339 19033 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19033 28 1 5 "Average Difference" CA 59 2.760 2.630 0.844 19033 29 1 5 "Average Difference" CB 55 2.707 2.480 1.093 19033 30 1 5 "Average Difference" HN 57 0.484 0.046 0.486 19033 31 1 6 "Average Difference" N 57 3.054 0.703 2.999 19033 32 1 6 "Average Difference" HA 55 0.335 0.038 0.336 19033 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19033 34 1 6 "Average Difference" CA 59 2.778 2.618 0.936 19033 35 1 6 "Average Difference" CB 55 2.788 2.470 1.304 19033 36 1 6 "Average Difference" HN 57 0.490 0.052 0.491 19033 37 1 7 "Average Difference" N 57 2.789 0.724 2.717 19033 38 1 7 "Average Difference" HA 55 0.320 0.084 0.312 19033 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19033 40 1 7 "Average Difference" CA 59 2.696 2.548 0.889 19033 41 1 7 "Average Difference" CB 55 2.856 2.597 1.199 19033 42 1 7 "Average Difference" HN 57 0.461 0.077 0.459 19033 43 1 8 "Average Difference" N 57 2.998 0.760 2.926 19033 44 1 8 "Average Difference" HA 55 0.350 0.065 0.347 19033 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19033 46 1 8 "Average Difference" CA 59 2.785 2.612 0.975 19033 47 1 8 "Average Difference" CB 55 2.750 2.499 1.159 19033 48 1 8 "Average Difference" HN 57 0.381 0.042 0.382 19033 49 1 9 "Average Difference" N 57 2.625 0.707 2.551 19033 50 1 9 "Average Difference" HA 55 0.376 0.073 0.372 19033 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19033 52 1 9 "Average Difference" CA 59 2.659 2.543 0.784 19033 53 1 9 "Average Difference" CB 55 2.780 2.546 1.128 19033 54 1 9 "Average Difference" HN 57 0.433 0.032 0.436 19033 55 1 10 "Average Difference" N 57 2.552 0.761 2.457 19033 56 1 10 "Average Difference" HA 55 0.340 0.066 0.337 19033 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19033 58 1 10 "Average Difference" CA 59 2.722 2.532 1.006 19033 59 1 10 "Average Difference" CB 55 2.876 2.568 1.307 19033 60 1 10 "Average Difference" HN 57 0.460 0.061 0.460 19033 61 1 11 "Average Difference" N 57 2.775 1.002 2.610 19033 62 1 11 "Average Difference" HA 55 0.356 0.054 0.355 19033 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19033 64 1 11 "Average Difference" CA 59 2.720 2.556 0.938 19033 65 1 11 "Average Difference" CB 55 2.716 2.443 1.198 19033 66 1 11 "Average Difference" HN 57 0.430 0.024 0.433 19033 67 1 12 "Average Difference" N 57 3.128 1.028 2.980 19033 68 1 12 "Average Difference" HA 55 0.314 0.072 0.308 19033 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19033 70 1 12 "Average Difference" CA 59 2.796 2.629 0.961 19033 71 1 12 "Average Difference" CB 55 2.747 2.468 1.217 19033 72 1 12 "Average Difference" HN 57 0.438 0.020 0.441 19033 73 1 13 "Average Difference" N 57 2.841 0.516 2.819 19033 74 1 13 "Average Difference" HA 55 0.301 0.076 0.294 19033 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19033 76 1 13 "Average Difference" CA 59 2.670 2.512 0.911 19033 77 1 13 "Average Difference" CB 55 3.037 2.778 1.238 19033 78 1 13 "Average Difference" HN 57 0.385 0.029 0.387 19033 79 1 14 "Average Difference" N 57 2.701 0.829 2.594 19033 80 1 14 "Average Difference" HA 55 0.341 0.057 0.340 19033 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19033 82 1 14 "Average Difference" CA 59 2.757 2.548 1.063 19033 83 1 14 "Average Difference" CB 55 2.691 2.496 1.016 19033 84 1 14 "Average Difference" HN 57 0.459 0.023 0.462 19033 85 1 15 "Average Difference" N 57 2.857 0.658 2.805 19033 86 1 15 "Average Difference" HA 55 0.332 0.073 0.327 19033 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19033 88 1 15 "Average Difference" CA 59 2.769 2.572 1.034 19033 89 1 15 "Average Difference" CB 55 2.799 2.484 1.303 19033 90 1 15 "Average Difference" HN 57 0.423 0.039 0.425 19033 91 1 16 "Average Difference" N 57 2.983 0.961 2.850 19033 92 1 16 "Average Difference" HA 55 0.331 0.045 0.331 19033 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19033 94 1 16 "Average Difference" CA 59 2.798 2.652 0.898 19033 95 1 16 "Average Difference" CB 55 2.779 2.556 1.101 19033 96 1 16 "Average Difference" HN 57 0.475 0.002 0.479 19033 97 1 17 "Average Difference" N 57 2.890 0.636 2.844 19033 98 1 17 "Average Difference" HA 55 0.321 0.067 0.316 19033 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19033 100 1 17 "Average Difference" CA 59 2.690 2.525 0.936 19033 101 1 17 "Average Difference" CB 55 2.744 2.499 1.144 19033 102 1 17 "Average Difference" HN 57 0.455 0.061 0.455 19033 103 1 18 "Average Difference" N 57 3.397 0.553 3.382 19033 104 1 18 "Average Difference" HA 55 0.275 0.060 0.271 19033 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19033 106 1 18 "Average Difference" CA 59 2.695 2.535 0.922 19033 107 1 18 "Average Difference" CB 55 2.731 2.524 1.052 19033 108 1 18 "Average Difference" HN 57 0.473 -0.042 0.476 19033 109 1 19 "Average Difference" N 57 2.826 0.513 2.803 19033 110 1 19 "Average Difference" HA 55 0.392 0.052 0.392 19033 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19033 112 1 19 "Average Difference" CA 59 2.795 2.655 0.882 19033 113 1 19 "Average Difference" CB 55 2.772 2.527 1.150 19033 114 1 19 "Average Difference" HN 57 0.458 0.043 0.460 19033 115 1 20 "Average Difference" N 57 3.275 0.956 3.160 19033 116 1 20 "Average Difference" HA 55 0.343 0.050 0.342 19033 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19033 118 1 20 "Average Difference" CA 59 2.724 2.564 0.926 19033 119 1 20 "Average Difference" CB 55 2.789 2.508 1.232 19033 120 1 20 "Average Difference" HN 57 0.424 0.021 0.427 19033 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 19033 _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 ARG N N 3 123.172 123.172 120.614 2.558 19033 2 1 . 1 1 3 3 ARG HA H 3 4.298 4.298 4.650 -0.352 19033 3 1 . 1 1 3 3 ARG CA C 3 54.177 54.177 54.911 -0.734 19033 4 1 . 1 1 3 3 ARG CB C 3 29.313 29.313 32.084 -2.770 19033 5 1 . 1 1 3 3 ARG H H 3 8.600 8.600 8.219 0.381 19033 6 1 . 1 1 4 4 ARG N N 4 122.811 122.811 120.230 2.581 19033 7 1 . 1 1 4 4 ARG HA H 4 5.445 5.445 4.858 0.587 19033 8 1 . 1 1 4 4 ARG CA C 4 51.948 51.948 55.091 -3.143 19033 9 1 . 1 1 4 4 ARG CB C 4 30.814 30.814 33.721 -2.907 19033 10 1 . 1 1 4 4 ARG H H 4 8.458 8.458 8.496 -0.038 19033 11 1 . 1 1 5 5 VAL N N 5 112.133 112.133 114.902 -2.769 19033 12 1 . 1 1 5 5 VAL HA H 5 5.084 5.084 5.023 0.061 19033 13 1 . 1 1 5 5 VAL CA C 5 55.894 55.894 59.379 -3.484 19033 14 1 . 1 1 5 5 VAL CB C 5 33.614 33.614 35.776 -2.162 19033 15 1 . 1 1 5 5 VAL H H 5 8.173 8.173 8.517 -0.344 19033 16 1 . 1 1 6 6 ARG N N 6 120.981 120.981 121.267 -0.286 19033 17 1 . 1 1 6 6 ARG HA H 6 5.615 5.615 4.869 0.746 19033 18 1 . 1 1 6 6 ARG CA C 6 50.883 50.883 53.997 -3.114 19033 19 1 . 1 1 6 6 ARG CB C 6 32.664 32.664 34.311 -1.647 19033 20 1 . 1 1 6 6 ARG H H 6 9.102 9.102 8.578 0.524 19033 21 1 . 1 1 7 7 ALA N N 7 127.309 127.309 128.962 -1.653 19033 22 1 . 1 1 7 7 ALA HA H 7 4.825 4.825 4.815 0.010 19033 23 1 . 1 1 7 7 ALA CA C 7 50.010 50.010 51.610 -1.600 19033 24 1 . 1 1 7 7 ALA CB C 7 18.560 18.560 20.276 -1.716 19033 25 1 . 1 1 7 7 ALA H H 7 9.300 9.300 8.817 0.483 19033 26 1 . 1 1 8 8 ILE N N 8 119.944 119.944 118.023 1.921 19033 27 1 . 1 1 8 8 ILE HA H 8 4.293 4.293 4.530 -0.237 19033 28 1 . 1 1 8 8 ILE CA C 8 59.073 59.073 60.752 -1.678 19033 29 1 . 1 1 8 8 ILE CB C 8 36.125 36.125 38.061 -1.937 19033 30 1 . 1 1 8 8 ILE H H 8 9.095 9.095 8.683 0.412 19033 31 1 . 1 1 9 9 LEU N N 9 123.267 123.267 120.716 2.551 19033 32 1 . 1 1 9 9 LEU HA H 9 4.549 4.549 4.938 -0.389 19033 33 1 . 1 1 9 9 LEU CA C 9 49.936 49.936 52.136 -2.200 19033 34 1 . 1 1 9 9 LEU CB C 9 44.882 44.882 45.342 -0.460 19033 35 1 . 1 1 9 9 LEU H H 9 7.738 7.738 7.638 0.100 19033 36 1 . 1 1 10 10 PRO HA H 10 4.534 4.534 4.739 -0.205 19033 37 1 . 1 1 10 10 PRO CA C 10 59.146 59.146 62.327 -3.181 19033 38 1 . 1 1 10 10 PRO CB C 10 30.365 30.365 32.669 -2.304 19033 39 1 . 1 1 11 11 TYR N N 11 117.178 117.178 119.825 -2.647 19033 40 1 . 1 1 11 11 TYR HA H 11 4.070 4.070 4.568 -0.498 19033 41 1 . 1 1 11 11 TYR CA C 11 56.303 56.303 57.431 -1.128 19033 42 1 . 1 1 11 11 TYR CB C 11 39.864 39.864 41.744 -1.880 19033 43 1 . 1 1 11 11 TYR H H 11 7.754 7.754 8.481 -0.727 19033 44 1 . 1 1 12 12 THR N N 12 125.004 125.004 119.397 5.607 19033 45 1 . 1 1 12 12 THR HA H 12 4.224 4.224 4.399 -0.175 19033 46 1 . 1 1 12 12 THR CA C 12 57.833 57.833 60.800 -2.967 19033 47 1 . 1 1 12 12 THR CB C 12 66.962 66.962 69.443 -2.481 19033 48 1 . 1 1 12 12 THR H H 12 7.149 7.149 7.431 -0.282 19033 49 1 . 1 1 13 13 LYS N N 13 123.175 123.175 125.785 -2.610 19033 50 1 . 1 1 13 13 LYS HA H 13 4.148 4.148 4.464 -0.316 19033 51 1 . 1 1 13 13 LYS CA C 13 52.749 52.749 55.881 -3.132 19033 52 1 . 1 1 13 13 LYS CB C 13 30.350 30.350 33.219 -2.869 19033 53 1 . 1 1 13 13 LYS H H 13 8.121 8.121 8.263 -0.142 19033 54 1 . 1 1 14 14 VAL N N 14 126.091 126.091 121.419 4.672 19033 55 1 . 1 1 14 14 VAL HA H 14 4.048 4.048 4.243 -0.195 19033 56 1 . 1 1 14 14 VAL CA C 14 58.059 58.059 60.145 -2.086 19033 57 1 . 1 1 14 14 VAL CB C 14 29.394 29.394 31.575 -2.181 19033 58 1 . 1 1 14 14 VAL H H 14 8.061 8.061 8.745 -0.684 19033 59 1 . 1 1 15 15 PRO HA H 15 4.120 4.120 4.466 -0.346 19033 60 1 . 1 1 15 15 PRO CA C 15 61.050 61.050 63.365 -2.315 19033 61 1 . 1 1 15 15 PRO CB C 15 29.695 29.695 32.160 -2.465 19033 62 1 . 1 1 16 16 ASP N N 16 115.188 115.188 117.995 -2.807 19033 63 1 . 1 1 16 16 ASP HA H 16 4.287 4.287 4.392 -0.105 19033 64 1 . 1 1 16 16 ASP CA C 16 53.189 53.189 55.198 -2.009 19033 65 1 . 1 1 16 16 ASP CB C 16 36.311 36.311 40.255 -3.944 19033 66 1 . 1 1 16 16 ASP H H 16 8.808 8.808 8.879 -0.071 19033 67 1 . 1 1 17 17 THR N N 17 106.185 106.185 109.451 -3.266 19033 68 1 . 1 1 17 17 THR HA H 17 4.704 4.704 4.591 0.113 19033 69 1 . 1 1 17 17 THR CA C 17 58.069 58.069 60.353 -2.284 19033 70 1 . 1 1 17 17 THR CB C 17 70.764 70.764 71.172 -0.408 19033 71 1 . 1 1 17 17 THR H H 17 7.264 7.264 7.528 -0.264 19033 72 1 . 1 1 18 18 ASP N N 18 117.426 117.426 119.879 -2.453 19033 73 1 . 1 1 18 18 ASP HA H 18 4.963 4.963 4.684 0.279 19033 74 1 . 1 1 18 18 ASP CA C 18 51.920 51.920 54.482 -2.562 19033 75 1 . 1 1 18 18 ASP CB C 18 38.059 38.059 40.524 -2.465 19033 76 1 . 1 1 18 18 ASP H H 18 8.855 8.855 8.657 0.198 19033 77 1 . 1 1 19 19 GLU N N 19 119.666 119.666 118.759 0.907 19033 78 1 . 1 1 19 19 GLU HA H 19 4.694 4.694 4.444 0.250 19033 79 1 . 1 1 19 19 GLU CA C 19 54.515 54.515 56.558 -2.043 19033 80 1 . 1 1 19 19 GLU CB C 19 29.535 29.535 31.338 -1.803 19033 81 1 . 1 1 19 19 GLU H H 19 7.603 7.603 7.480 0.123 19033 82 1 . 1 1 20 20 ILE N N 20 109.127 109.127 115.791 -6.664 19033 83 1 . 1 1 20 20 ILE HA H 20 4.853 4.853 4.579 0.274 19033 84 1 . 1 1 20 20 ILE CA C 20 56.257 56.257 59.707 -3.450 19033 85 1 . 1 1 20 20 ILE CB C 20 38.401 38.401 40.797 -2.396 19033 86 1 . 1 1 20 20 ILE H H 20 6.909 6.909 7.969 -1.060 19033 87 1 . 1 1 21 21 SER N N 21 117.834 117.834 119.242 -1.408 19033 88 1 . 1 1 21 21 SER HA H 21 4.796 4.796 4.715 0.081 19033 89 1 . 1 1 21 21 SER CA C 21 54.907 54.907 58.252 -3.345 19033 90 1 . 1 1 21 21 SER CB C 21 61.426 61.426 64.356 -2.930 19033 91 1 . 1 1 21 21 SER H H 21 8.738 8.738 8.336 0.402 19033 92 1 . 1 1 22 22 PHE N N 22 116.177 116.177 116.966 -0.789 19033 93 1 . 1 1 22 22 PHE HA H 22 4.665 4.665 5.023 -0.358 19033 94 1 . 1 1 22 22 PHE CA C 22 53.807 53.807 56.734 -2.927 19033 95 1 . 1 1 22 22 PHE CB C 22 38.324 38.324 41.052 -2.728 19033 96 1 . 1 1 22 22 PHE H H 22 8.860 8.860 8.005 0.855 19033 97 1 . 1 1 23 23 LEU N N 23 121.283 121.283 120.278 1.005 19033 98 1 . 1 1 23 23 LEU HA H 23 4.611 4.611 4.794 -0.183 19033 99 1 . 1 1 23 23 LEU CA C 23 49.953 49.953 53.162 -3.209 19033 100 1 . 1 1 23 23 LEU CB C 23 41.634 41.634 45.245 -3.611 19033 101 1 . 1 1 23 23 LEU H H 23 8.681 8.681 8.996 -0.315 19033 102 1 . 1 1 24 24 LYS N N 24 119.660 119.660 120.923 -1.263 19033 103 1 . 1 1 24 24 LYS HA H 24 3.322 3.322 3.964 -0.642 19033 104 1 . 1 1 24 24 LYS CA C 24 56.428 56.428 58.249 -1.821 19033 105 1 . 1 1 24 24 LYS CB C 24 29.987 29.987 32.344 -2.357 19033 106 1 . 1 1 24 24 LYS H H 24 8.076 8.076 8.459 -0.383 19033 107 1 . 1 1 25 25 GLY N N 25 115.402 115.402 114.849 0.553 19033 108 1 . 1 1 25 25 GLY CA C 25 42.313 42.313 44.866 -2.553 19033 109 1 . 1 1 25 25 GLY H H 25 8.569 8.569 8.806 -0.237 19033 110 1 . 1 1 26 26 ASP N N 26 122.287 122.287 121.181 1.107 19033 111 1 . 1 1 26 26 ASP HA H 26 4.307 4.307 4.674 -0.367 19033 112 1 . 1 1 26 26 ASP CA C 26 53.273 53.273 54.485 -1.212 19033 113 1 . 1 1 26 26 ASP CB C 26 37.932 37.932 42.128 -4.196 19033 114 1 . 1 1 26 26 ASP H H 26 7.847 7.847 7.742 0.105 19033 115 1 . 1 1 27 27 MET N N 27 119.570 119.570 117.217 2.353 19033 116 1 . 1 1 27 27 MET HA H 27 5.070 5.070 4.646 0.424 19033 117 1 . 1 1 27 27 MET CA C 27 50.485 50.485 54.586 -4.101 19033 118 1 . 1 1 27 27 MET CB C 27 32.786 32.786 36.726 -3.940 19033 119 1 . 1 1 27 27 MET H H 27 8.117 8.117 8.006 0.111 19033 120 1 . 1 1 28 28 PHE N N 28 116.911 116.911 118.617 -1.706 19033 121 1 . 1 1 28 28 PHE HA H 28 5.659 5.659 5.641 0.018 19033 122 1 . 1 1 28 28 PHE CA C 28 52.237 52.237 55.628 -3.391 19033 123 1 . 1 1 28 28 PHE CB C 28 39.127 39.127 43.266 -4.139 19033 124 1 . 1 1 28 28 PHE H H 28 8.909 8.909 8.881 0.028 19033 125 1 . 1 1 29 29 ILE N N 29 118.126 118.126 116.585 1.541 19033 126 1 . 1 1 29 29 ILE HA H 29 4.554 4.554 4.681 -0.127 19033 127 1 . 1 1 29 29 ILE CA C 29 56.548 56.548 59.646 -3.098 19033 128 1 . 1 1 29 29 ILE CB C 29 37.618 37.618 40.802 -3.184 19033 129 1 . 1 1 29 29 ILE H H 29 8.060 8.060 8.357 -0.297 19033 130 1 . 1 1 30 30 VAL N N 30 125.411 125.411 125.175 0.236 19033 131 1 . 1 1 30 30 VAL HA H 30 3.864 3.864 3.932 -0.068 19033 132 1 . 1 1 30 30 VAL CA C 30 59.874 59.874 63.543 -3.669 19033 133 1 . 1 1 30 30 VAL CB C 30 29.863 29.863 31.716 -1.853 19033 134 1 . 1 1 30 30 VAL H H 30 8.331 8.331 8.310 0.021 19033 135 1 . 1 1 31 31 HIS N N 31 127.208 127.208 127.594 -0.386 19033 136 1 . 1 1 31 31 HIS HA H 31 4.698 4.698 4.880 -0.182 19033 137 1 . 1 1 31 31 HIS CA C 31 54.672 54.672 56.969 -2.297 19033 138 1 . 1 1 31 31 HIS CB C 31 28.040 28.040 32.818 -4.778 19033 139 1 . 1 1 31 31 HIS H H 31 9.289 9.289 9.075 0.214 19033 140 1 . 1 1 32 32 ASN N N 32 112.446 112.446 117.085 -4.639 19033 141 1 . 1 1 32 32 ASN HA H 32 4.950 4.950 4.969 -0.020 19033 142 1 . 1 1 32 32 ASN CA C 32 50.672 50.672 52.914 -2.242 19033 143 1 . 1 1 32 32 ASN CB C 32 39.290 39.290 41.621 -2.331 19033 144 1 . 1 1 32 32 ASN H H 32 7.866 7.866 8.063 -0.197 19033 145 1 . 1 1 33 33 GLU N N 33 123.553 123.553 120.806 2.747 19033 146 1 . 1 1 33 33 GLU HA H 33 4.405 4.405 4.679 -0.274 19033 147 1 . 1 1 33 33 GLU CA C 33 54.104 54.104 55.978 -1.874 19033 148 1 . 1 1 33 33 GLU CB C 33 27.678 27.678 31.552 -3.874 19033 149 1 . 1 1 33 33 GLU H H 33 8.723 8.723 8.675 0.048 19033 150 1 . 1 1 34 34 LEU N N 34 125.739 125.739 125.305 0.434 19033 151 1 . 1 1 34 34 LEU HA H 34 4.650 4.650 4.686 -0.036 19033 152 1 . 1 1 34 34 LEU CA C 34 51.344 51.344 53.916 -2.572 19033 153 1 . 1 1 34 34 LEU CB C 34 39.813 39.813 43.889 -4.076 19033 154 1 . 1 1 34 34 LEU H H 34 8.488 8.488 8.414 0.074 19033 155 1 . 1 1 35 35 GLU N N 35 117.915 117.915 120.312 -2.397 19033 156 1 . 1 1 35 35 GLU HA H 35 4.289 4.289 4.556 -0.267 19033 157 1 . 1 1 35 35 GLU CA C 35 54.432 54.432 56.704 -2.272 19033 158 1 . 1 1 35 35 GLU CB C 35 27.756 27.756 29.965 -2.209 19033 159 1 . 1 1 35 35 GLU H H 35 8.174 8.174 8.621 -0.447 19033 160 1 . 1 1 36 36 ASP N N 36 116.640 116.640 120.113 -3.473 19033 161 1 . 1 1 36 36 ASP HA H 36 4.363 4.363 4.785 -0.422 19033 162 1 . 1 1 36 36 ASP CA C 36 52.392 52.392 54.375 -1.983 19033 163 1 . 1 1 36 36 ASP CB C 36 37.268 37.268 40.983 -3.715 19033 164 1 . 1 1 36 36 ASP H H 36 8.755 8.755 8.312 0.443 19033 165 1 . 1 1 37 37 GLY N N 37 104.775 104.775 106.931 -2.156 19033 166 1 . 1 1 37 37 GLY CA C 37 43.066 43.066 45.268 -2.202 19033 167 1 . 1 1 37 37 GLY H H 37 8.235 8.235 8.368 -0.134 19033 168 1 . 1 1 38 38 TRP N N 38 119.789 119.789 119.818 -0.029 19033 169 1 . 1 1 38 38 TRP HA H 38 4.952 4.952 5.284 -0.332 19033 170 1 . 1 1 38 38 TRP CA C 38 54.689 54.689 55.808 -1.119 19033 171 1 . 1 1 38 38 TRP CB C 38 28.348 28.348 32.080 -3.731 19033 172 1 . 1 1 38 38 TRP H H 38 7.331 7.331 7.679 -0.348 19033 173 1 . 1 1 39 39 MET N N 39 118.460 118.460 117.692 0.767 19033 174 1 . 1 1 39 39 MET HA H 39 4.941 4.941 5.008 -0.067 19033 175 1 . 1 1 39 39 MET CA C 39 52.194 52.194 54.795 -2.601 19033 176 1 . 1 1 39 39 MET CB C 39 35.101 35.101 37.288 -2.186 19033 177 1 . 1 1 39 39 MET H H 39 9.330 9.330 8.955 0.375 19033 178 1 . 1 1 40 40 TRP N N 40 123.201 123.201 125.270 -2.069 19033 179 1 . 1 1 40 40 TRP HA H 40 5.068 5.068 5.112 -0.044 19033 180 1 . 1 1 40 40 TRP CA C 40 54.321 54.321 58.050 -3.729 19033 181 1 . 1 1 40 40 TRP CB C 40 27.857 27.857 31.395 -3.538 19033 182 1 . 1 1 40 40 TRP H H 40 8.777 8.777 8.575 0.202 19033 183 1 . 1 1 41 41 VAL N N 41 120.754 120.754 118.706 2.048 19033 184 1 . 1 1 41 41 VAL HA H 41 5.447 5.447 5.460 -0.013 19033 185 1 . 1 1 41 41 VAL CA C 41 56.711 56.711 59.175 -2.464 19033 186 1 . 1 1 41 41 VAL CB C 41 34.428 34.428 35.102 -0.674 19033 187 1 . 1 1 41 41 VAL H H 41 8.755 8.755 8.381 0.374 19033 188 1 . 1 1 42 42 THR N N 42 112.967 112.967 115.117 -2.149 19033 189 1 . 1 1 42 42 THR HA H 42 4.999 4.999 4.925 0.074 19033 190 1 . 1 1 42 42 THR CA C 42 59.763 59.763 61.638 -1.875 19033 191 1 . 1 1 42 42 THR CB C 42 68.696 68.696 71.283 -2.587 19033 192 1 . 1 1 42 42 THR H H 42 8.142 8.142 8.167 -0.025 19033 193 1 . 1 1 43 43 ASN N N 43 124.680 124.680 123.604 1.076 19033 194 1 . 1 1 43 43 ASN HA H 43 4.409 4.409 5.034 -0.625 19033 195 1 . 1 1 43 43 ASN CA C 43 50.340 50.340 52.091 -1.751 19033 196 1 . 1 1 43 43 ASN CB C 43 36.786 36.786 39.322 -2.536 19033 197 1 . 1 1 43 43 ASN H H 43 8.848 8.848 8.994 -0.146 19033 198 1 . 1 1 44 44 LEU N N 44 126.753 126.753 125.853 0.900 19033 199 1 . 1 1 44 44 LEU HA H 44 4.049 4.049 4.231 -0.182 19033 200 1 . 1 1 44 44 LEU CA C 44 54.255 54.255 56.516 -2.261 19033 201 1 . 1 1 44 44 LEU CB C 44 38.647 38.647 41.249 -2.602 19033 202 1 . 1 1 44 44 LEU H H 44 8.841 8.841 8.207 0.634 19033 203 1 . 1 1 45 45 ARG N N 45 119.154 119.154 119.188 -0.034 19033 204 1 . 1 1 45 45 ARG HA H 45 4.155 4.155 4.118 0.037 19033 205 1 . 1 1 45 45 ARG CA C 45 56.319 56.319 58.415 -2.095 19033 206 1 . 1 1 45 45 ARG CB C 45 27.552 27.552 30.760 -3.208 19033 207 1 . 1 1 45 45 ARG H H 45 8.452 8.452 8.112 0.340 19033 208 1 . 1 1 46 46 THR N N 46 105.128 105.128 108.952 -3.824 19033 209 1 . 1 1 46 46 THR HA H 46 4.180 4.180 4.421 -0.241 19033 210 1 . 1 1 46 46 THR CA C 46 58.368 58.368 62.116 -3.749 19033 211 1 . 1 1 46 46 THR CB C 46 67.991 67.991 70.107 -2.116 19033 212 1 . 1 1 46 46 THR H H 46 6.842 6.842 7.720 -0.878 19033 213 1 . 1 1 47 47 ASP N N 47 120.147 120.147 120.500 -0.353 19033 214 1 . 1 1 47 47 ASP HA H 47 4.273 4.273 4.343 -0.070 19033 215 1 . 1 1 47 47 ASP CA C 47 53.593 53.593 55.768 -2.175 19033 216 1 . 1 1 47 47 ASP CB C 47 37.748 37.748 40.303 -2.555 19033 217 1 . 1 1 47 47 ASP H H 47 8.650 8.650 8.183 0.467 19033 218 1 . 1 1 48 48 GLU N N 48 117.574 117.574 118.838 -1.264 19033 219 1 . 1 1 48 48 GLU HA H 48 4.294 4.294 4.211 0.083 19033 220 1 . 1 1 48 48 GLU CA C 48 53.743 53.743 57.244 -3.501 19033 221 1 . 1 1 48 48 GLU CB C 48 29.503 29.503 30.226 -0.724 19033 222 1 . 1 1 48 48 GLU H H 48 7.454 7.454 7.866 -0.412 19033 223 1 . 1 1 49 49 GLN N N 49 119.154 119.154 122.184 -3.030 19033 224 1 . 1 1 49 49 GLN HA H 49 5.649 5.649 4.790 0.859 19033 225 1 . 1 1 49 49 GLN CA C 49 50.614 50.614 55.206 -4.592 19033 226 1 . 1 1 49 49 GLN CB C 49 29.447 29.447 31.893 -2.446 19033 227 1 . 1 1 49 49 GLN H H 49 8.314 8.314 8.383 -0.069 19033 228 1 . 1 1 50 50 GLY N N 50 108.506 108.506 106.550 1.956 19033 229 1 . 1 1 50 50 GLY CA C 50 42.255 42.255 44.187 -1.932 19033 230 1 . 1 1 50 50 GLY H H 50 7.795 7.795 7.546 0.249 19033 231 1 . 1 1 51 51 LEU N N 51 119.484 119.484 120.968 -1.484 19033 232 1 . 1 1 51 51 LEU HA H 51 5.378 5.378 5.136 0.242 19033 233 1 . 1 1 51 51 LEU CA C 51 51.274 51.274 54.014 -2.740 19033 234 1 . 1 1 51 51 LEU CB C 51 43.574 43.574 43.871 -0.297 19033 235 1 . 1 1 51 51 LEU H H 51 7.748 7.748 7.831 -0.083 19033 236 1 . 1 1 52 52 ILE N N 52 114.127 114.127 116.754 -2.627 19033 237 1 . 1 1 52 52 ILE HA H 52 4.645 4.645 4.734 -0.089 19033 238 1 . 1 1 52 52 ILE CA C 52 57.340 57.340 59.622 -2.282 19033 239 1 . 1 1 52 52 ILE CB C 52 39.906 39.906 41.186 -1.280 19033 240 1 . 1 1 52 52 ILE H H 52 8.802 8.802 8.512 0.290 19033 241 1 . 1 1 53 53 VAL N N 53 120.370 120.370 121.657 -1.287 19033 242 1 . 1 1 53 53 VAL HA H 53 4.018 4.018 3.871 0.147 19033 243 1 . 1 1 53 53 VAL CA C 53 56.467 56.467 59.806 -3.339 19033 244 1 . 1 1 53 53 VAL CB C 53 30.327 30.327 33.313 -2.986 19033 245 1 . 1 1 53 53 VAL H H 53 7.495 7.495 8.022 -0.527 19033 246 1 . 1 1 54 54 GLU N N 54 122.759 122.759 126.717 -3.958 19033 247 1 . 1 1 54 54 GLU HA H 54 3.590 3.590 3.947 -0.357 19033 248 1 . 1 1 54 54 GLU CA C 54 55.564 55.564 58.757 -3.193 19033 249 1 . 1 1 54 54 GLU CB C 54 26.426 26.426 29.187 -2.761 19033 250 1 . 1 1 54 54 GLU H H 54 8.104 8.104 8.413 -0.309 19033 251 1 . 1 1 55 55 ASP N N 55 114.708 114.708 119.698 -4.989 19033 252 1 . 1 1 55 55 ASP HA H 55 4.204 4.204 4.393 -0.189 19033 253 1 . 1 1 55 55 ASP CA C 55 53.286 53.286 56.384 -3.098 19033 254 1 . 1 1 55 55 ASP CB C 55 38.115 38.115 40.711 -2.596 19033 255 1 . 1 1 55 55 ASP H H 55 7.394 7.394 8.344 -0.950 19033 256 1 . 1 1 56 56 LEU N N 56 116.100 116.100 117.758 -1.658 19033 257 1 . 1 1 56 56 LEU HA H 56 4.398 4.398 4.688 -0.290 19033 258 1 . 1 1 56 56 LEU CA C 56 51.899 51.899 54.254 -2.355 19033 259 1 . 1 1 56 56 LEU CB C 56 39.564 39.564 43.296 -3.732 19033 260 1 . 1 1 56 56 LEU H H 56 7.121 7.121 7.357 -0.236 19033 261 1 . 1 1 57 57 VAL N N 57 109.850 109.850 114.759 -4.909 19033 262 1 . 1 1 57 57 VAL HA H 57 5.381 5.381 5.047 0.334 19033 263 1 . 1 1 57 57 VAL CA C 57 55.560 55.560 58.630 -3.070 19033 264 1 . 1 1 57 57 VAL CB C 57 33.744 33.744 35.223 -1.479 19033 265 1 . 1 1 57 57 VAL H H 57 7.438 7.438 7.372 0.066 19033 266 1 . 1 1 58 58 GLU N N 58 116.558 116.558 120.375 -3.818 19033 267 1 . 1 1 58 58 GLU HA H 58 4.835 4.835 4.649 0.186 19033 268 1 . 1 1 58 58 GLU CA C 58 50.156 50.156 54.028 -3.872 19033 269 1 . 1 1 58 58 GLU CB C 58 30.354 30.354 32.392 -2.038 19033 270 1 . 1 1 58 58 GLU H H 58 8.886 8.886 8.845 0.041 19033 271 1 . 1 1 59 59 GLU N N 59 121.900 121.900 122.462 -0.562 19033 272 1 . 1 1 59 59 GLU HA H 59 4.229 4.229 4.212 0.017 19033 273 1 . 1 1 59 59 GLU CA C 59 54.417 54.417 56.544 -2.128 19033 274 1 . 1 1 59 59 GLU CB C 59 27.517 27.517 28.689 -1.172 19033 275 1 . 1 1 59 59 GLU H H 59 8.659 8.659 8.761 -0.102 19033 276 1 . 1 1 60 60 VAL N N 60 122.505 122.505 122.913 -0.408 19033 277 1 . 1 1 60 60 VAL HA H 60 4.087 4.087 4.098 -0.011 19033 278 1 . 1 1 60 60 VAL CA C 60 59.466 59.466 61.929 -2.463 19033 279 1 . 1 1 60 60 VAL CB C 60 30.306 30.306 33.519 -3.213 19033 280 1 . 1 1 60 60 VAL H H 60 8.069 8.069 7.887 0.182 19033 281 1 . 1 1 61 61 GLY N N 61 112.799 112.799 112.455 0.344 19033 282 1 . 1 1 61 61 GLY CA C 61 42.709 42.709 44.989 -2.280 19033 283 1 . 1 1 61 61 GLY H H 61 8.383 8.383 8.568 -0.185 19033 stop_ save_