data_17857 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17857 _Entry.PDB_ID 2LHL 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 17857 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER N N 2 118.698 118.698 115.473 3.225 17857 2 1 1 . 1 1 2 2 SER HA H 2 4.691 4.691 4.688 0.003 17857 3 1 1 . 1 1 2 2 SER C C 2 175.496 175.496 174.195 1.301 17857 4 1 1 . 1 1 2 2 SER CA C 2 57.481 57.481 57.083 0.398 17857 5 1 1 . 1 1 2 2 SER CB C 2 65.371 65.371 65.892 -0.521 17857 6 1 1 . 1 1 2 2 SER H H 2 9.211 9.211 7.729 1.482 17857 7 1 1 . 1 1 3 3 GLU N N 3 122.860 122.860 120.422 2.438 17857 8 1 1 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.092 0.023 17857 9 1 1 . 1 1 3 3 GLU C C 3 179.171 179.171 178.214 0.957 17857 10 1 1 . 1 1 3 3 GLU CA C 3 60.757 60.757 59.204 1.553 17857 11 1 1 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.548 -0.509 17857 12 1 1 . 1 1 3 3 GLU H H 3 9.205 9.205 8.957 0.248 17857 13 1 1 . 1 1 4 4 LEU N N 4 120.718 120.718 120.625 0.093 17857 14 1 1 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.069 -0.033 17857 15 1 1 . 1 1 4 4 LEU C C 4 178.360 178.360 178.276 0.084 17857 16 1 1 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.282 0.629 17857 17 1 1 . 1 1 4 4 LEU CB C 4 42.362 42.362 42.134 0.228 17857 18 1 1 . 1 1 4 4 LEU H H 4 8.854 8.854 7.560 1.294 17857 19 1 1 . 1 1 5 5 GLU N N 5 118.542 118.542 118.380 0.162 17857 20 1 1 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.943 -0.688 17857 21 1 1 . 1 1 5 5 GLU C C 5 179.204 179.204 179.204 0.000 17857 22 1 1 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.499 0.318 17857 23 1 1 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.620 -0.417 17857 24 1 1 . 1 1 5 5 GLU H H 5 7.791 7.791 7.865 -0.074 17857 25 1 1 . 1 1 6 6 THR N N 6 115.783 115.783 113.714 2.069 17857 26 1 1 . 1 1 6 6 THR HA H 6 4.017 4.017 4.135 -0.118 17857 27 1 1 . 1 1 6 6 THR C C 6 176.807 176.807 175.943 0.864 17857 28 1 1 . 1 1 6 6 THR CA C 6 66.668 66.668 64.406 2.262 17857 29 1 1 . 1 1 6 6 THR CB C 6 68.763 68.763 68.764 -0.001 17857 30 1 1 . 1 1 6 6 THR H H 6 8.371 8.371 8.035 0.336 17857 31 1 1 . 1 1 7 7 ALA N N 7 125.707 125.707 123.872 1.835 17857 32 1 1 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.063 0.209 17857 33 1 1 . 1 1 7 7 ALA C C 7 179.856 179.856 179.537 0.319 17857 34 1 1 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.159 0.543 17857 35 1 1 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.353 -0.123 17857 36 1 1 . 1 1 7 7 ALA H H 7 8.267 8.267 7.557 0.710 17857 37 1 1 . 1 1 8 8 MET N N 8 115.222 115.222 115.670 -0.448 17857 38 1 1 . 1 1 8 8 MET HA H 8 4.858 4.858 4.444 0.414 17857 39 1 1 . 1 1 8 8 MET C C 8 179.635 179.635 178.575 1.060 17857 40 1 1 . 1 1 8 8 MET CA C 8 56.669 56.669 56.399 0.270 17857 41 1 1 . 1 1 8 8 MET CB C 8 29.136 29.136 31.404 -2.268 17857 42 1 1 . 1 1 8 8 MET H H 8 8.106 8.106 7.646 0.460 17857 43 1 1 . 1 1 9 9 GLU N N 9 120.456 120.456 119.260 1.196 17857 44 1 1 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.173 -0.058 17857 45 1 1 . 1 1 9 9 GLU C C 9 179.531 179.531 179.255 0.276 17857 46 1 1 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.147 1.484 17857 47 1 1 . 1 1 9 9 GLU CB C 9 28.977 28.977 28.954 0.023 17857 48 1 1 . 1 1 9 9 GLU H H 9 8.658 8.658 7.819 0.839 17857 49 1 1 . 1 1 10 10 THR N N 10 118.547 118.547 115.650 2.897 17857 50 1 1 . 1 1 10 10 THR HA H 10 4.116 4.116 4.475 -0.359 17857 51 1 1 . 1 1 10 10 THR C C 10 175.942 175.942 176.076 -0.134 17857 52 1 1 . 1 1 10 10 THR CA C 10 67.521 67.521 66.108 1.413 17857 53 1 1 . 1 1 10 10 THR CB C 10 67.933 67.933 68.982 -1.049 17857 54 1 1 . 1 1 10 10 THR H H 10 8.417 8.417 7.622 0.795 17857 55 1 1 . 1 1 11 11 LEU N N 11 121.715 121.715 122.728 -1.013 17857 56 1 1 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.240 -0.173 17857 57 1 1 . 1 1 11 11 LEU C C 11 181.784 181.784 178.866 2.918 17857 58 1 1 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.330 2.114 17857 59 1 1 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.064 -0.071 17857 60 1 1 . 1 1 11 11 LEU H H 11 8.324 8.324 7.425 0.899 17857 61 1 1 . 1 1 12 12 ILE N N 12 121.081 121.081 119.118 1.963 17857 62 1 1 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.848 -0.284 17857 63 1 1 . 1 1 12 12 ILE C C 12 176.221 176.221 176.941 -0.720 17857 64 1 1 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.564 1.615 17857 65 1 1 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.661 0.734 17857 66 1 1 . 1 1 12 12 ILE H H 12 8.419 8.419 8.007 0.412 17857 67 1 1 . 1 1 13 13 ASN N N 13 120.254 120.254 117.657 2.597 17857 68 1 1 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.500 -0.130 17857 69 1 1 . 1 1 13 13 ASN C C 13 179.124 179.124 176.374 2.750 17857 70 1 1 . 1 1 13 13 ASN CA C 13 56.615 56.615 55.739 0.876 17857 71 1 1 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.553 -0.398 17857 72 1 1 . 1 1 13 13 ASN H H 13 8.593 8.593 7.813 0.780 17857 73 1 1 . 1 1 14 14 VAL N N 14 121.599 121.599 118.128 3.471 17857 74 1 1 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.723 0.133 17857 75 1 1 . 1 1 14 14 VAL C C 14 177.155 177.155 176.603 0.552 17857 76 1 1 . 1 1 14 14 VAL CA C 14 66.705 66.705 64.662 2.043 17857 77 1 1 . 1 1 14 14 VAL CB C 14 31.884 31.884 32.260 -0.375 17857 78 1 1 . 1 1 14 14 VAL H H 14 8.838 8.838 7.384 1.454 17857 79 1 1 . 1 1 15 15 PHE N N 15 120.139 120.139 122.487 -2.348 17857 80 1 1 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.988 -0.389 17857 81 1 1 . 1 1 15 15 PHE C C 15 177.601 177.601 176.307 1.294 17857 82 1 1 . 1 1 15 15 PHE CA C 15 62.399 62.399 61.335 1.064 17857 83 1 1 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.543 0.089 17857 84 1 1 . 1 1 15 15 PHE H H 15 7.456 7.456 7.619 -0.163 17857 85 1 1 . 1 1 16 16 HIS N N 16 118.175 118.175 116.979 1.196 17857 86 1 1 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.153 0.990 17857 87 1 1 . 1 1 16 16 HIS C C 16 177.972 177.972 177.040 0.932 17857 88 1 1 . 1 1 16 16 HIS CA C 16 55.795 55.795 57.306 -1.511 17857 89 1 1 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.508 1.819 17857 90 1 1 . 1 1 16 16 HIS H H 16 9.137 9.137 8.347 0.790 17857 91 1 1 . 1 1 17 17 ALA N N 17 121.734 121.734 123.164 -1.430 17857 92 1 1 . 1 1 17 17 ALA HA H 17 3.820 3.820 3.958 -0.138 17857 93 1 1 . 1 1 17 17 ALA C C 17 178.713 178.713 179.170 -0.457 17857 94 1 1 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.785 -0.168 17857 95 1 1 . 1 1 17 17 ALA CB C 17 17.700 17.700 18.000 -0.300 17857 96 1 1 . 1 1 17 17 ALA H H 17 8.133 8.133 7.507 0.626 17857 97 1 1 . 1 1 18 18 HIS N N 18 113.408 113.408 114.908 -1.500 17857 98 1 1 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.500 -0.180 17857 99 1 1 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.048 0.789 17857 100 1 1 . 1 1 18 18 HIS CB C 18 32.648 32.648 29.143 3.505 17857 101 1 1 . 1 1 18 18 HIS H H 18 7.286 7.286 6.662 0.624 17857 102 1 1 . 1 1 19 19 SER N N 19 120.877 120.877 115.679 5.198 17857 103 1 1 . 1 1 19 19 SER HA H 19 4.124 4.124 3.987 0.137 17857 104 1 1 . 1 1 19 19 SER C C 19 176.676 176.676 176.960 -0.284 17857 105 1 1 . 1 1 19 19 SER CA C 19 60.979 60.979 61.786 -0.807 17857 106 1 1 . 1 1 19 19 SER CB C 19 61.813 61.813 62.568 -0.755 17857 107 1 1 . 1 1 19 19 SER H H 19 9.322 9.322 7.307 2.015 17857 108 1 1 . 1 1 20 20 GLY N N 20 107.206 107.206 108.670 -1.464 17857 109 1 1 . 1 1 20 20 GLY C C 20 174.913 174.913 175.429 -0.516 17857 110 1 1 . 1 1 20 20 GLY CA C 20 45.281 45.281 46.221 -0.940 17857 111 1 1 . 1 1 20 20 GLY H H 20 8.233 8.233 7.646 0.587 17857 112 1 1 . 1 1 21 21 LYS N N 21 118.717 118.717 121.167 -2.450 17857 113 1 1 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.095 -0.054 17857 114 1 1 . 1 1 21 21 LYS C C 21 176.623 176.623 177.710 -1.087 17857 115 1 1 . 1 1 21 21 LYS CA C 21 58.185 58.185 58.696 -0.511 17857 116 1 1 . 1 1 21 21 LYS CB C 21 33.157 33.157 32.779 0.378 17857 117 1 1 . 1 1 21 21 LYS H H 21 7.333 7.333 7.559 -0.226 17857 118 1 1 . 1 1 22 22 GLU N N 22 116.257 116.257 119.020 -2.763 17857 119 1 1 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.460 -0.019 17857 120 1 1 . 1 1 22 22 GLU C C 22 175.554 175.554 175.311 0.243 17857 121 1 1 . 1 1 22 22 GLU CA C 22 55.488 55.488 55.775 -0.287 17857 122 1 1 . 1 1 22 22 GLU CB C 22 31.892 31.892 31.702 0.190 17857 123 1 1 . 1 1 22 22 GLU H H 22 7.603 7.603 7.853 -0.250 17857 124 1 1 . 1 1 23 23 GLY N N 23 108.614 108.614 111.733 -3.119 17857 125 1 1 . 1 1 23 23 GLY C C 23 173.976 173.976 173.426 0.550 17857 126 1 1 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.891 1.133 17857 127 1 1 . 1 1 23 23 GLY H H 23 8.261 8.261 8.500 -0.239 17857 128 1 1 . 1 1 24 24 ASP N N 24 124.252 124.252 122.165 2.087 17857 129 1 1 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.830 -0.271 17857 130 1 1 . 1 1 24 24 ASP C C 24 177.376 177.376 176.710 0.666 17857 131 1 1 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.056 -0.232 17857 132 1 1 . 1 1 24 24 ASP CB C 24 42.692 42.692 40.968 1.724 17857 133 1 1 . 1 1 24 24 ASP H H 24 8.313 8.313 8.361 -0.048 17857 134 1 1 . 1 1 25 25 LYS N N 25 125.006 125.006 118.537 6.469 17857 135 1 1 . 1 1 25 25 LYS HA H 25 4.137 4.137 3.799 0.338 17857 136 1 1 . 1 1 25 25 LYS C C 25 175.980 175.980 178.826 -2.846 17857 137 1 1 . 1 1 25 25 LYS CA C 25 57.436 57.436 59.327 -1.891 17857 138 1 1 . 1 1 25 25 LYS CB C 25 32.345 32.345 30.262 2.083 17857 139 1 1 . 1 1 25 25 LYS H H 25 8.327 8.327 7.715 0.612 17857 140 1 1 . 1 1 26 26 TYR N N 26 117.300 117.300 117.355 -0.055 17857 141 1 1 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.344 0.742 17857 142 1 1 . 1 1 26 26 TYR C C 26 175.592 175.592 176.223 -0.631 17857 143 1 1 . 1 1 26 26 TYR CA C 26 57.552 57.552 60.363 -2.811 17857 144 1 1 . 1 1 26 26 TYR CB C 26 38.052 38.052 38.678 -0.626 17857 145 1 1 . 1 1 26 26 TYR H H 26 8.490 8.490 8.334 0.156 17857 146 1 1 . 1 1 27 27 LYS N N 27 117.820 117.820 114.091 3.729 17857 147 1 1 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.908 0.595 17857 148 1 1 . 1 1 27 27 LYS C C 27 174.259 174.259 174.098 0.161 17857 149 1 1 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.922 -0.828 17857 150 1 1 . 1 1 27 27 LYS CB C 27 37.626 37.626 36.682 0.944 17857 151 1 1 . 1 1 27 27 LYS H H 27 7.793 7.793 7.421 0.372 17857 152 1 1 . 1 1 28 28 LEU N N 28 120.282 120.282 119.571 0.711 17857 153 1 1 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.687 0.061 17857 154 1 1 . 1 1 28 28 LEU C C 28 176.038 176.038 174.899 1.139 17857 155 1 1 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.438 -0.396 17857 156 1 1 . 1 1 28 28 LEU CB C 28 46.382 46.382 45.905 0.477 17857 157 1 1 . 1 1 28 28 LEU H H 28 8.692 8.692 8.408 0.284 17857 158 1 1 . 1 1 29 29 SER N N 29 119.669 119.669 117.278 2.391 17857 159 1 1 . 1 1 29 29 SER HA H 29 5.121 5.121 4.744 0.377 17857 160 1 1 . 1 1 29 29 SER C C 29 175.936 175.936 175.413 0.523 17857 161 1 1 . 1 1 29 29 SER CA C 29 57.760 57.760 58.600 -0.840 17857 162 1 1 . 1 1 29 29 SER CB C 29 64.689 64.689 64.516 0.173 17857 163 1 1 . 1 1 29 29 SER H H 29 8.797 8.797 8.563 0.234 17857 164 1 1 . 1 1 30 30 LYS N N 30 124.194 124.194 121.790 2.404 17857 165 1 1 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.206 -0.345 17857 166 1 1 . 1 1 30 30 LYS C C 30 178.523 178.523 178.438 0.085 17857 167 1 1 . 1 1 30 30 LYS CA C 30 61.591 61.591 58.914 2.677 17857 168 1 1 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.478 -0.474 17857 169 1 1 . 1 1 30 30 LYS H H 30 8.842 8.842 8.117 0.725 17857 170 1 1 . 1 1 31 31 LYS N N 31 119.922 119.922 118.940 0.982 17857 171 1 1 . 1 1 31 31 LYS HA H 31 4.157 4.157 3.973 0.184 17857 172 1 1 . 1 1 31 31 LYS C C 31 179.293 179.293 179.154 0.139 17857 173 1 1 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.393 0.033 17857 174 1 1 . 1 1 31 31 LYS CB C 31 32.586 32.586 31.717 0.869 17857 175 1 1 . 1 1 31 31 LYS H H 31 8.786 8.786 8.471 0.315 17857 176 1 1 . 1 1 32 32 GLN N N 32 119.859 119.859 117.807 2.052 17857 177 1 1 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.092 0.025 17857 178 1 1 . 1 1 32 32 GLN C C 32 179.272 179.272 177.939 1.333 17857 179 1 1 . 1 1 32 32 GLN CA C 32 58.178 58.178 57.682 0.496 17857 180 1 1 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.854 -0.034 17857 181 1 1 . 1 1 32 32 GLN H H 32 7.769 7.769 7.424 0.345 17857 182 1 1 . 1 1 33 33 LEU N N 33 122.146 122.146 120.523 1.623 17857 183 1 1 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.950 0.095 17857 184 1 1 . 1 1 33 33 LEU C C 33 177.408 177.408 177.992 -0.584 17857 185 1 1 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.396 -1.061 17857 186 1 1 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.858 -1.312 17857 187 1 1 . 1 1 33 33 LEU H H 33 8.918 8.918 7.922 0.996 17857 188 1 1 . 1 1 34 34 LYS N N 34 120.726 120.726 118.246 2.480 17857 189 1 1 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.857 -0.231 17857 190 1 1 . 1 1 34 34 LYS C C 34 177.675 177.675 178.891 -1.216 17857 191 1 1 . 1 1 34 34 LYS CA C 34 60.985 60.985 60.121 0.864 17857 192 1 1 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.190 -0.190 17857 193 1 1 . 1 1 34 34 LYS H H 34 8.423 8.423 7.501 0.922 17857 194 1 1 . 1 1 35 35 GLU N N 35 116.999 116.999 119.078 -2.079 17857 195 1 1 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.096 -0.026 17857 196 1 1 . 1 1 35 35 GLU C C 35 179.003 179.003 179.070 -0.067 17857 197 1 1 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.190 0.312 17857 198 1 1 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.267 0.128 17857 199 1 1 . 1 1 35 35 GLU H H 35 7.186 7.186 8.125 -0.939 17857 200 1 1 . 1 1 36 36 LEU N N 36 122.908 122.908 121.659 1.249 17857 201 1 1 . 1 1 36 36 LEU HA H 36 3.713 3.713 3.945 -0.232 17857 202 1 1 . 1 1 36 36 LEU C C 36 178.810 178.810 178.296 0.514 17857 203 1 1 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.068 1.365 17857 204 1 1 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.543 0.760 17857 205 1 1 . 1 1 36 36 LEU H H 36 8.141 8.141 8.628 -0.487 17857 206 1 1 . 1 1 37 37 LEU N N 37 119.746 119.746 118.697 1.049 17857 207 1 1 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.883 -0.194 17857 208 1 1 . 1 1 37 37 LEU C C 37 178.128 178.128 178.782 -0.654 17857 209 1 1 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.238 0.178 17857 210 1 1 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.678 -0.155 17857 211 1 1 . 1 1 37 37 LEU H H 37 8.772 8.772 7.537 1.235 17857 212 1 1 . 1 1 38 38 GLN N N 38 113.312 113.312 117.990 -4.678 17857 213 1 1 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.058 -0.291 17857 214 1 1 . 1 1 38 38 GLN C C 38 177.536 177.536 178.454 -0.918 17857 215 1 1 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.663 0.123 17857 216 1 1 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.612 0.402 17857 217 1 1 . 1 1 38 38 GLN H H 38 8.082 8.082 7.754 0.328 17857 218 1 1 . 1 1 39 39 THR N N 39 109.779 109.779 114.615 -4.836 17857 219 1 1 . 1 1 39 39 THR HA H 39 4.312 4.312 3.994 0.318 17857 220 1 1 . 1 1 39 39 THR C C 39 176.802 176.802 175.864 0.938 17857 221 1 1 . 1 1 39 39 THR CA C 39 64.576 64.576 65.429 -0.853 17857 222 1 1 . 1 1 39 39 THR CB C 39 69.847 69.847 68.529 1.318 17857 223 1 1 . 1 1 39 39 THR H H 39 7.683 7.683 8.550 -0.867 17857 224 1 1 . 1 1 40 40 GLU N N 40 118.440 118.440 119.170 -0.730 17857 225 1 1 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.331 0.385 17857 226 1 1 . 1 1 40 40 GLU C C 40 177.106 177.106 178.119 -1.013 17857 227 1 1 . 1 1 40 40 GLU CA C 40 56.922 56.922 57.471 -0.549 17857 228 1 1 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.150 0.112 17857 229 1 1 . 1 1 40 40 GLU H H 40 8.971 8.971 7.738 1.233 17857 230 1 1 . 1 1 41 41 LEU N N 41 119.219 119.219 120.421 -1.202 17857 231 1 1 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.272 0.856 17857 232 1 1 . 1 1 41 41 LEU C C 41 177.669 177.669 177.401 0.268 17857 233 1 1 . 1 1 41 41 LEU CA C 41 53.300 53.300 56.112 -2.812 17857 234 1 1 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.718 -0.510 17857 235 1 1 . 1 1 41 41 LEU H H 41 7.733 7.733 8.456 -0.723 17857 236 1 1 . 1 1 42 42 SER N N 42 112.897 112.897 112.096 0.801 17857 237 1 1 . 1 1 42 42 SER HA H 42 3.880 3.880 4.282 -0.402 17857 238 1 1 . 1 1 42 42 SER C C 42 176.429 176.429 174.263 2.166 17857 239 1 1 . 1 1 42 42 SER CA C 42 61.867 61.867 58.821 3.046 17857 240 1 1 . 1 1 42 42 SER CB C 42 62.864 62.864 62.608 0.257 17857 241 1 1 . 1 1 42 42 SER H H 42 6.915 6.915 8.315 -1.400 17857 242 1 1 . 1 1 43 43 GLY N N 43 114.357 114.357 105.919 8.438 17857 243 1 1 . 1 1 43 43 GLY C C 43 178.051 178.051 175.198 2.853 17857 244 1 1 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.651 1.193 17857 245 1 1 . 1 1 43 43 GLY H H 43 9.244 9.244 8.019 1.225 17857 246 1 1 . 1 1 44 44 PHE N N 44 124.297 124.297 121.181 3.116 17857 247 1 1 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.320 0.273 17857 248 1 1 . 1 1 44 44 PHE C C 44 178.168 178.168 176.741 1.427 17857 249 1 1 . 1 1 44 44 PHE CA C 44 57.510 57.510 59.831 -2.321 17857 250 1 1 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.413 -2.270 17857 251 1 1 . 1 1 44 44 PHE H H 44 8.273 8.273 8.062 0.211 17857 252 1 1 . 1 1 45 45 LEU N N 45 116.097 116.097 113.950 2.147 17857 253 1 1 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.485 -0.309 17857 254 1 1 . 1 1 45 45 LEU C C 45 179.069 179.069 176.475 2.594 17857 255 1 1 . 1 1 45 45 LEU CA C 45 57.580 57.580 55.924 1.656 17857 256 1 1 . 1 1 45 45 LEU CB C 45 41.377 41.377 40.758 0.619 17857 257 1 1 . 1 1 45 45 LEU H H 45 8.559 8.559 7.934 0.625 17857 258 1 1 . 1 1 46 46 ASP N N 46 119.849 119.849 119.676 0.173 17857 259 1 1 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.659 0.054 17857 260 1 1 . 1 1 46 46 ASP C C 46 176.152 176.152 175.830 0.322 17857 261 1 1 . 1 1 46 46 ASP CA C 46 55.845 55.845 54.856 0.989 17857 262 1 1 . 1 1 46 46 ASP CB C 46 41.640 41.640 40.220 1.420 17857 263 1 1 . 1 1 46 46 ASP H H 46 7.707 7.707 7.865 -0.158 17857 264 1 1 . 1 1 47 47 ALA N N 47 124.027 124.027 120.154 3.873 17857 265 1 1 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.591 0.017 17857 266 1 1 . 1 1 47 47 ALA C C 47 176.271 176.271 176.403 -0.132 17857 267 1 1 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.181 -1.460 17857 268 1 1 . 1 1 47 47 ALA CB C 47 18.985 18.985 20.160 -1.175 17857 269 1 1 . 1 1 47 47 ALA H H 47 7.710 7.710 7.236 0.474 17857 270 1 1 . 1 1 48 48 GLN N N 48 117.138 117.138 117.287 -0.149 17857 271 1 1 . 1 1 48 48 GLN HA H 48 4.115 4.115 3.963 0.152 17857 272 1 1 . 1 1 48 48 GLN C C 48 175.907 175.907 175.801 0.106 17857 273 1 1 . 1 1 48 48 GLN CA C 48 57.074 57.074 56.182 0.892 17857 274 1 1 . 1 1 48 48 GLN CB C 48 30.504 30.504 26.793 3.711 17857 275 1 1 . 1 1 48 48 GLN H H 48 7.562 7.562 8.444 -0.882 17857 276 1 1 . 1 1 49 49 LYS N N 49 121.265 121.265 117.305 3.960 17857 277 1 1 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.073 0.076 17857 278 1 1 . 1 1 49 49 LYS C C 49 176.157 176.157 176.781 -0.624 17857 279 1 1 . 1 1 49 49 LYS CA C 49 56.337 56.337 57.826 -1.489 17857 280 1 1 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.520 -1.289 17857 281 1 1 . 1 1 49 49 LYS H H 49 7.974 7.974 8.264 -0.290 17857 282 1 1 . 1 1 50 50 ASP N N 50 119.019 119.019 118.456 0.563 17857 283 1 1 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.567 0.115 17857 284 1 1 . 1 1 50 50 ASP C C 50 175.466 175.466 176.054 -0.588 17857 285 1 1 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.295 -2.485 17857 286 1 1 . 1 1 50 50 ASP CB C 50 39.955 39.955 42.642 -2.687 17857 287 1 1 . 1 1 50 50 ASP H H 50 7.523 7.523 7.567 -0.044 17857 288 1 1 . 1 1 51 51 VAL N N 51 121.906 121.906 118.399 3.507 17857 289 1 1 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.173 -0.312 17857 290 1 1 . 1 1 51 51 VAL C C 51 178.158 178.158 175.967 2.191 17857 291 1 1 . 1 1 51 51 VAL CA C 51 64.804 64.804 63.283 1.521 17857 292 1 1 . 1 1 51 51 VAL CB C 51 31.831 31.831 33.102 -1.271 17857 293 1 1 . 1 1 51 51 VAL H H 51 7.618 7.618 7.901 -0.283 17857 294 1 1 . 1 1 52 52 ASP N N 52 119.692 119.692 121.265 -1.573 17857 295 1 1 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.357 0.002 17857 296 1 1 . 1 1 52 52 ASP C C 52 178.427 178.427 177.868 0.559 17857 297 1 1 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.533 -0.174 17857 298 1 1 . 1 1 52 52 ASP CB C 52 40.921 40.921 40.104 0.817 17857 299 1 1 . 1 1 52 52 ASP H H 52 8.081 8.081 8.690 -0.609 17857 300 1 1 . 1 1 53 53 ALA N N 53 122.046 122.046 121.527 0.519 17857 301 1 1 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.164 -0.144 17857 302 1 1 . 1 1 53 53 ALA C C 53 180.602 180.602 179.003 1.599 17857 303 1 1 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.617 0.113 17857 304 1 1 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.462 0.405 17857 305 1 1 . 1 1 53 53 ALA H H 53 7.538 7.538 8.468 -0.930 17857 306 1 1 . 1 1 54 54 VAL N N 54 117.817 117.817 116.814 1.003 17857 307 1 1 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.717 -0.367 17857 308 1 1 . 1 1 54 54 VAL C C 54 177.718 177.718 177.363 0.355 17857 309 1 1 . 1 1 54 54 VAL CA C 54 66.667 66.667 64.958 1.709 17857 310 1 1 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.165 0.550 17857 311 1 1 . 1 1 54 54 VAL H H 54 7.286 7.286 7.770 -0.484 17857 312 1 1 . 1 1 55 55 ASP N N 55 119.601 119.601 120.732 -1.131 17857 313 1 1 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.461 -0.174 17857 314 1 1 . 1 1 55 55 ASP C C 55 178.508 178.508 178.163 0.345 17857 315 1 1 . 1 1 55 55 ASP CA C 55 57.618 57.618 57.064 0.554 17857 316 1 1 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.881 0.346 17857 317 1 1 . 1 1 55 55 ASP H H 55 8.456 8.456 8.077 0.379 17857 318 1 1 . 1 1 56 56 LYS N N 56 117.890 117.890 120.664 -2.774 17857 319 1 1 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.985 -0.050 17857 320 1 1 . 1 1 56 56 LYS C C 56 179.509 179.509 178.863 0.646 17857 321 1 1 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.746 0.143 17857 322 1 1 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.468 0.053 17857 323 1 1 . 1 1 56 56 LYS H H 56 7.921 7.921 7.425 0.496 17857 324 1 1 . 1 1 57 57 VAL N N 57 119.196 119.196 118.719 0.477 17857 325 1 1 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.646 0.076 17857 326 1 1 . 1 1 57 57 VAL C C 57 177.928 177.928 177.482 0.446 17857 327 1 1 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.732 0.486 17857 328 1 1 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.917 0.414 17857 329 1 1 . 1 1 57 57 VAL H H 57 7.292 7.292 7.439 -0.147 17857 330 1 1 . 1 1 58 58 MET N N 58 115.902 115.902 118.338 -2.436 17857 331 1 1 . 1 1 58 58 MET HA H 58 4.128 4.128 4.224 -0.096 17857 332 1 1 . 1 1 58 58 MET C C 58 178.952 178.952 177.510 1.442 17857 333 1 1 . 1 1 58 58 MET CA C 58 57.582 57.582 57.122 0.460 17857 334 1 1 . 1 1 58 58 MET CB C 58 31.511 31.511 32.352 -0.841 17857 335 1 1 . 1 1 58 58 MET H H 58 8.313 8.313 7.464 0.849 17857 336 1 1 . 1 1 59 59 LYS N N 59 118.845 118.845 121.009 -2.164 17857 337 1 1 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.869 0.203 17857 338 1 1 . 1 1 59 59 LYS C C 59 179.149 179.149 178.385 0.764 17857 339 1 1 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.921 -0.761 17857 340 1 1 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.068 0.477 17857 341 1 1 . 1 1 59 59 LYS H H 59 8.563 8.563 8.547 0.016 17857 342 1 1 . 1 1 60 60 GLU N N 60 119.868 119.868 119.059 0.809 17857 343 1 1 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.050 -0.018 17857 344 1 1 . 1 1 60 60 GLU C C 60 179.083 179.083 178.651 0.432 17857 345 1 1 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.486 0.280 17857 346 1 1 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.495 -0.738 17857 347 1 1 . 1 1 60 60 GLU H H 60 7.467 7.467 7.778 -0.311 17857 348 1 1 . 1 1 61 61 LEU N N 61 116.866 116.866 117.865 -0.999 17857 349 1 1 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.022 -0.055 17857 350 1 1 . 1 1 61 61 LEU C C 61 177.870 177.870 178.703 -0.833 17857 351 1 1 . 1 1 61 61 LEU CA C 61 57.251 57.251 56.837 0.414 17857 352 1 1 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.927 -1.157 17857 353 1 1 . 1 1 61 61 LEU H H 61 7.597 7.597 7.491 0.106 17857 354 1 1 . 1 1 62 62 ASP N N 62 115.773 115.773 118.125 -2.352 17857 355 1 1 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.376 0.111 17857 356 1 1 . 1 1 62 62 ASP C C 62 178.871 178.871 178.390 0.481 17857 357 1 1 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.934 -0.813 17857 358 1 1 . 1 1 62 62 ASP CB C 62 41.826 41.826 41.210 0.616 17857 359 1 1 . 1 1 62 62 ASP H H 62 7.509 7.509 7.557 -0.048 17857 360 1 1 . 1 1 63 63 GLU N N 63 119.120 119.120 118.640 0.480 17857 361 1 1 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.184 -0.053 17857 362 1 1 . 1 1 63 63 GLU C C 63 176.937 176.937 177.158 -0.221 17857 363 1 1 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.497 -0.444 17857 364 1 1 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.480 -0.361 17857 365 1 1 . 1 1 63 63 GLU H H 63 8.068 8.068 8.224 -0.156 17857 366 1 1 . 1 1 64 64 ASN N N 64 117.779 117.779 115.981 1.798 17857 367 1 1 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.893 0.229 17857 368 1 1 . 1 1 64 64 ASN C C 64 176.299 176.299 174.760 1.539 17857 369 1 1 . 1 1 64 64 ASN CA C 64 52.221 52.221 52.558 -0.337 17857 370 1 1 . 1 1 64 64 ASN CB C 64 38.943 38.943 40.156 -1.212 17857 371 1 1 . 1 1 64 64 ASN H H 64 7.719 7.719 7.833 -0.114 17857 372 1 1 . 1 1 65 65 GLY N N 65 106.860 106.860 108.893 -2.033 17857 373 1 1 . 1 1 65 65 GLY C C 65 174.113 174.113 173.101 1.012 17857 374 1 1 . 1 1 65 65 GLY CA C 65 47.965 47.965 44.735 3.230 17857 375 1 1 . 1 1 65 65 GLY H H 65 7.705 7.705 8.666 -0.961 17857 376 1 1 . 1 1 66 66 ASP N N 66 115.761 115.761 120.754 -4.993 17857 377 1 1 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.872 -0.035 17857 378 1 1 . 1 1 66 66 ASP C C 66 177.865 177.865 175.799 2.066 17857 379 1 1 . 1 1 66 66 ASP CA C 66 54.199 54.199 53.546 0.653 17857 380 1 1 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.139 -0.355 17857 381 1 1 . 1 1 66 66 ASP H H 66 8.266 8.266 7.645 0.621 17857 382 1 1 . 1 1 67 67 GLY N N 67 109.034 109.034 110.469 -1.435 17857 383 1 1 . 1 1 67 67 GLY C C 67 172.364 172.364 171.705 0.659 17857 384 1 1 . 1 1 67 67 GLY CA C 67 45.136 45.136 45.355 -0.219 17857 385 1 1 . 1 1 67 67 GLY H H 67 8.237 8.237 7.863 0.374 17857 386 1 1 . 1 1 68 68 GLU N N 68 117.964 117.964 119.431 -1.467 17857 387 1 1 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.124 0.045 17857 388 1 1 . 1 1 68 68 GLU C C 68 176.201 176.201 175.904 0.297 17857 389 1 1 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.300 0.028 17857 390 1 1 . 1 1 68 68 GLU CB C 68 33.900 33.900 33.822 0.079 17857 391 1 1 . 1 1 68 68 GLU H H 68 8.415 8.415 8.390 0.025 17857 392 1 1 . 1 1 69 69 VAL N N 69 116.232 116.232 117.844 -1.612 17857 393 1 1 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.657 0.244 17857 394 1 1 . 1 1 69 69 VAL C C 69 174.378 174.378 175.625 -1.247 17857 395 1 1 . 1 1 69 69 VAL CA C 69 59.551 59.551 60.196 -0.645 17857 396 1 1 . 1 1 69 69 VAL CB C 69 35.098 35.098 33.058 2.040 17857 397 1 1 . 1 1 69 69 VAL H H 69 9.134 9.134 9.000 0.134 17857 398 1 1 . 1 1 70 70 ASP N N 70 121.337 121.337 116.440 4.897 17857 399 1 1 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.833 0.698 17857 400 1 1 . 1 1 70 70 ASP C C 70 176.081 176.081 176.164 -0.083 17857 401 1 1 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.548 -1.233 17857 402 1 1 . 1 1 70 70 ASP CB C 70 42.873 42.873 40.922 1.951 17857 403 1 1 . 1 1 70 70 ASP H H 70 8.233 8.233 8.565 -0.332 17857 404 1 1 . 1 1 71 71 PHE N N 71 119.131 119.131 120.425 -1.294 17857 405 1 1 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.689 -0.240 17857 406 1 1 . 1 1 71 71 PHE C C 71 176.693 176.693 175.649 1.044 17857 407 1 1 . 1 1 71 71 PHE CA C 71 61.576 61.576 61.937 -0.361 17857 408 1 1 . 1 1 71 71 PHE CB C 71 40.468 40.468 37.804 2.664 17857 409 1 1 . 1 1 71 71 PHE H H 71 9.370 9.370 8.108 1.262 17857 410 1 1 . 1 1 72 72 GLN N N 72 116.462 116.462 117.941 -1.479 17857 411 1 1 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.778 -0.340 17857 412 1 1 . 1 1 72 72 GLN C C 72 177.396 177.396 178.444 -1.048 17857 413 1 1 . 1 1 72 72 GLN CA C 72 60.767 60.767 58.940 1.827 17857 414 1 1 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.533 0.250 17857 415 1 1 . 1 1 72 72 GLN H H 72 8.096 8.096 8.748 -0.652 17857 416 1 1 . 1 1 73 73 GLU N N 73 119.541 119.541 117.924 1.617 17857 417 1 1 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.146 -0.159 17857 418 1 1 . 1 1 73 73 GLU C C 73 178.861 178.861 178.559 0.302 17857 419 1 1 . 1 1 73 73 GLU CA C 73 59.279 59.279 57.971 1.308 17857 420 1 1 . 1 1 73 73 GLU CB C 73 30.306 30.306 30.110 0.196 17857 421 1 1 . 1 1 73 73 GLU H H 73 8.139 8.139 8.435 -0.296 17857 422 1 1 . 1 1 74 74 TYR N N 74 122.065 122.065 120.525 1.540 17857 423 1 1 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.412 -0.090 17857 424 1 1 . 1 1 74 74 TYR C C 74 175.562 175.562 177.020 -1.458 17857 425 1 1 . 1 1 74 74 TYR CA C 74 60.327 60.327 60.984 -0.658 17857 426 1 1 . 1 1 74 74 TYR CB C 74 36.867 36.867 39.419 -2.552 17857 427 1 1 . 1 1 74 74 TYR H H 74 8.157 8.157 7.975 0.182 17857 428 1 1 . 1 1 75 75 VAL N N 75 119.872 119.872 117.626 2.246 17857 429 1 1 . 1 1 75 75 VAL HA H 75 2.670 2.670 3.386 -0.716 17857 430 1 1 . 1 1 75 75 VAL C C 75 177.425 177.425 177.305 0.120 17857 431 1 1 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.246 1.754 17857 432 1 1 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.782 -0.081 17857 433 1 1 . 1 1 75 75 VAL H H 75 7.915 7.915 8.326 -0.411 17857 434 1 1 . 1 1 76 76 VAL N N 76 119.169 119.169 119.828 -0.659 17857 435 1 1 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.659 -0.309 17857 436 1 1 . 1 1 76 76 VAL C C 76 178.933 178.933 177.439 1.494 17857 437 1 1 . 1 1 76 76 VAL CA C 76 66.800 66.800 65.417 1.383 17857 438 1 1 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.423 0.177 17857 439 1 1 . 1 1 76 76 VAL H H 76 7.545 7.545 7.372 0.173 17857 440 1 1 . 1 1 77 77 LEU N N 77 121.356 121.356 119.251 2.105 17857 441 1 1 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.899 0.280 17857 442 1 1 . 1 1 77 77 LEU C C 77 179.226 179.226 178.699 0.527 17857 443 1 1 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.692 0.581 17857 444 1 1 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.707 0.285 17857 445 1 1 . 1 1 77 77 LEU H H 77 7.789 7.789 7.212 0.577 17857 446 1 1 . 1 1 78 78 VAL N N 78 119.358 119.358 117.787 1.571 17857 447 1 1 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.509 -0.056 17857 448 1 1 . 1 1 78 78 VAL C C 78 180.653 180.653 176.896 3.757 17857 449 1 1 . 1 1 78 78 VAL CA C 78 67.253 67.253 65.750 1.503 17857 450 1 1 . 1 1 78 78 VAL CB C 78 31.392 31.392 31.385 0.007 17857 451 1 1 . 1 1 78 78 VAL H H 78 8.350 8.350 7.290 1.060 17857 452 1 1 . 1 1 79 79 ALA N N 79 125.018 125.018 118.916 6.102 17857 453 1 1 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.148 -0.110 17857 454 1 1 . 1 1 79 79 ALA C C 79 178.321 178.321 178.154 0.167 17857 455 1 1 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.280 2.801 17857 456 1 1 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.504 -0.215 17857 457 1 1 . 1 1 79 79 ALA H H 79 9.009 9.009 7.197 1.812 17857 458 1 1 . 1 1 80 80 ALA N N 80 121.933 121.933 123.357 -1.424 17857 459 1 1 . 1 1 80 80 ALA HA H 80 4.003 4.003 4.023 -0.020 17857 460 1 1 . 1 1 80 80 ALA C C 80 181.548 181.548 179.197 2.351 17857 461 1 1 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.940 0.479 17857 462 1 1 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.143 -0.474 17857 463 1 1 . 1 1 80 80 ALA H H 80 8.311 8.311 7.461 0.850 17857 464 1 1 . 1 1 81 81 LEU N N 81 117.563 117.563 115.246 2.317 17857 465 1 1 . 1 1 81 81 LEU HA H 81 4.033 4.033 3.975 0.058 17857 466 1 1 . 1 1 81 81 LEU C C 81 178.536 178.536 178.509 0.027 17857 467 1 1 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.251 0.412 17857 468 1 1 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.025 0.928 17857 469 1 1 . 1 1 81 81 LEU H H 81 8.056 8.056 7.485 0.571 17857 470 1 1 . 1 1 82 82 THR N N 82 117.473 117.473 117.158 0.315 17857 471 1 1 . 1 1 82 82 THR HA H 82 3.669 3.669 3.171 0.498 17857 472 1 1 . 1 1 82 82 THR C C 82 176.658 176.658 176.205 0.453 17857 473 1 1 . 1 1 82 82 THR CA C 82 68.836 68.836 66.543 2.293 17857 474 1 1 . 1 1 82 82 THR CB C 82 67.515 67.515 68.323 -0.808 17857 475 1 1 . 1 1 82 82 THR H H 82 8.299 8.299 7.242 1.057 17857 476 1 1 . 1 1 83 83 VAL N N 83 121.111 121.111 119.928 1.183 17857 477 1 1 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.775 -0.649 17857 478 1 1 . 1 1 83 83 VAL C C 83 176.323 176.323 176.856 -0.533 17857 479 1 1 . 1 1 83 83 VAL CA C 83 65.247 65.247 65.641 -0.394 17857 480 1 1 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.320 -0.298 17857 481 1 1 . 1 1 83 83 VAL H H 83 7.953 7.953 7.373 0.580 17857 482 1 1 . 1 1 84 84 ALA N N 84 117.068 117.068 120.143 -3.075 17857 483 1 1 . 1 1 84 84 ALA HA H 84 4.573 4.573 4.105 0.468 17857 484 1 1 . 1 1 84 84 ALA C C 84 177.919 177.919 178.492 -0.573 17857 485 1 1 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.707 -0.687 17857 486 1 1 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.904 2.039 17857 487 1 1 . 1 1 84 84 ALA H H 84 7.105 7.105 7.346 -0.241 17857 488 1 1 . 1 1 85 85 CYS N N 85 112.195 112.195 113.889 -1.694 17857 489 1 1 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.501 0.039 17857 490 1 1 . 1 1 85 85 CYS C C 85 173.282 173.282 175.123 -1.841 17857 491 1 1 . 1 1 85 85 CYS CA C 85 60.342 60.342 60.112 0.230 17857 492 1 1 . 1 1 85 85 CYS CB C 85 32.440 32.440 28.834 3.607 17857 493 1 1 . 1 1 85 85 CYS H H 85 7.371 7.371 7.501 -0.130 17857 494 1 1 . 1 1 86 86 ASN N N 86 118.815 118.815 120.359 -1.544 17857 495 1 1 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.629 -0.132 17857 496 1 1 . 1 1 86 86 ASN CA C 86 54.737 54.737 54.723 0.014 17857 497 1 1 . 1 1 86 86 ASN CB C 86 42.130 42.130 39.252 2.878 17857 498 1 1 . 1 1 86 86 ASN H H 86 8.347 8.347 8.309 0.038 17857 499 1 1 . 1 1 87 87 ASN HA H 87 4.325 4.325 5.166 -0.841 17857 500 1 1 . 1 1 87 87 ASN C C 87 176.216 176.216 173.914 2.302 17857 501 1 1 . 1 1 87 87 ASN CA C 87 56.570 56.570 52.406 4.164 17857 502 1 1 . 1 1 87 87 ASN CB C 87 38.479 38.479 39.173 -0.694 17857 503 1 1 . 1 1 88 88 PHE N N 88 120.522 120.522 124.032 -3.510 17857 504 1 1 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.462 -0.365 17857 505 1 1 . 1 1 88 88 PHE C C 88 176.803 176.803 176.154 0.649 17857 506 1 1 . 1 1 88 88 PHE CA C 88 61.023 61.023 60.280 0.743 17857 507 1 1 . 1 1 88 88 PHE CB C 88 39.682 39.682 40.164 -0.482 17857 508 1 1 . 1 1 88 88 PHE H H 88 8.642 8.642 8.637 0.005 17857 509 1 1 . 1 1 89 89 PHE N N 89 112.727 112.727 117.080 -4.353 17857 510 1 1 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.077 -0.274 17857 511 1 1 . 1 1 89 89 PHE C C 89 173.691 173.691 176.921 -3.230 17857 512 1 1 . 1 1 89 89 PHE CA C 89 59.208 59.208 60.516 -1.308 17857 513 1 1 . 1 1 89 89 PHE CB C 89 39.029 39.029 38.995 0.034 17857 514 1 1 . 1 1 89 89 PHE H H 89 7.408 7.408 8.309 -0.901 17857 515 1 1 . 1 1 90 90 TRP N N 90 118.731 118.731 118.782 -0.051 17857 516 1 1 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.453 0.137 17857 517 1 1 . 1 1 90 90 TRP C C 90 175.269 175.269 176.134 -0.865 17857 518 1 1 . 1 1 90 90 TRP CA C 90 56.840 56.840 58.392 -1.552 17857 519 1 1 . 1 1 90 90 TRP CB C 90 31.400 31.400 29.675 1.725 17857 520 1 1 . 1 1 90 90 TRP H H 90 7.359 7.359 7.766 -0.407 17857 521 1 1 . 1 1 91 91 GLU N N 91 121.302 121.302 116.546 4.756 17857 522 1 1 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.401 -0.059 17857 523 1 1 . 1 1 91 91 GLU C C 91 176.081 176.081 174.787 1.294 17857 524 1 1 . 1 1 91 91 GLU CA C 91 56.857 56.857 55.268 1.589 17857 525 1 1 . 1 1 91 91 GLU CB C 91 30.548 30.548 31.502 -0.954 17857 526 1 1 . 1 1 91 91 GLU H H 91 7.766 7.766 7.794 -0.028 17857 527 1 1 . 1 1 92 92 ASN N N 92 120.522 120.522 122.124 -1.602 17857 528 1 1 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.494 0.273 17857 529 1 1 . 1 1 92 92 ASN C C 92 174.283 174.283 175.675 -1.392 17857 530 1 1 . 1 1 92 92 ASN CA C 92 53.407 53.407 54.625 -1.218 17857 531 1 1 . 1 1 92 92 ASN CB C 92 39.276 39.276 39.044 0.232 17857 532 1 1 . 1 1 92 92 ASN H H 92 8.462 8.462 8.473 -0.011 17857 533 1 2 . 1 1 2 2 SER N N 2 118.698 118.698 115.162 3.536 17857 534 1 2 . 1 1 2 2 SER HA H 2 4.691 4.691 4.690 0.001 17857 535 1 2 . 1 1 2 2 SER C C 2 175.496 175.496 176.195 -0.699 17857 536 1 2 . 1 1 2 2 SER CA C 2 57.481 57.481 56.778 0.703 17857 537 1 2 . 1 1 2 2 SER CB C 2 65.371 65.371 64.792 0.579 17857 538 1 2 . 1 1 2 2 SER H H 2 9.211 9.211 8.566 0.645 17857 539 1 2 . 1 1 3 3 GLU N N 3 122.860 122.860 124.918 -2.058 17857 540 1 2 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.070 0.045 17857 541 1 2 . 1 1 3 3 GLU C C 3 179.171 179.171 177.930 1.241 17857 542 1 2 . 1 1 3 3 GLU CA C 3 60.757 60.757 59.179 1.578 17857 543 1 2 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.680 -0.641 17857 544 1 2 . 1 1 3 3 GLU H H 3 9.205 9.205 9.010 0.195 17857 545 1 2 . 1 1 4 4 LEU N N 4 120.718 120.718 119.608 1.110 17857 546 1 2 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.104 -0.068 17857 547 1 2 . 1 1 4 4 LEU C C 4 178.360 178.360 178.177 0.183 17857 548 1 2 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.740 0.171 17857 549 1 2 . 1 1 4 4 LEU CB C 4 42.362 42.362 42.036 0.326 17857 550 1 2 . 1 1 4 4 LEU H H 4 8.854 8.854 7.891 0.963 17857 551 1 2 . 1 1 5 5 GLU N N 5 118.542 118.542 118.006 0.536 17857 552 1 2 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.996 -0.741 17857 553 1 2 . 1 1 5 5 GLU C C 5 179.204 179.204 179.028 0.176 17857 554 1 2 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.673 0.144 17857 555 1 2 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.250 -0.047 17857 556 1 2 . 1 1 5 5 GLU H H 5 7.791 7.791 7.602 0.189 17857 557 1 2 . 1 1 6 6 THR N N 6 115.783 115.783 113.857 1.926 17857 558 1 2 . 1 1 6 6 THR HA H 6 4.017 4.017 4.415 -0.398 17857 559 1 2 . 1 1 6 6 THR C C 6 176.807 176.807 175.976 0.831 17857 560 1 2 . 1 1 6 6 THR CA C 6 66.668 66.668 64.134 2.534 17857 561 1 2 . 1 1 6 6 THR CB C 6 68.763 68.763 68.743 0.020 17857 562 1 2 . 1 1 6 6 THR H H 6 8.371 8.371 7.589 0.782 17857 563 1 2 . 1 1 7 7 ALA N N 7 125.707 125.707 124.803 0.904 17857 564 1 2 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.039 0.233 17857 565 1 2 . 1 1 7 7 ALA C C 7 179.856 179.856 179.741 0.115 17857 566 1 2 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.295 0.407 17857 567 1 2 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.263 -0.033 17857 568 1 2 . 1 1 7 7 ALA H H 7 8.267 8.267 7.886 0.381 17857 569 1 2 . 1 1 8 8 MET N N 8 115.222 115.222 115.687 -0.465 17857 570 1 2 . 1 1 8 8 MET HA H 8 4.858 4.858 4.407 0.451 17857 571 1 2 . 1 1 8 8 MET C C 8 179.635 179.635 178.610 1.025 17857 572 1 2 . 1 1 8 8 MET CA C 8 56.669 56.669 56.737 -0.068 17857 573 1 2 . 1 1 8 8 MET CB C 8 29.136 29.136 31.585 -2.449 17857 574 1 2 . 1 1 8 8 MET H H 8 8.106 8.106 7.697 0.409 17857 575 1 2 . 1 1 9 9 GLU N N 9 120.456 120.456 119.704 0.752 17857 576 1 2 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.076 0.039 17857 577 1 2 . 1 1 9 9 GLU C C 9 179.531 179.531 179.372 0.159 17857 578 1 2 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.545 1.086 17857 579 1 2 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.281 -0.304 17857 580 1 2 . 1 1 9 9 GLU H H 9 8.658 8.658 7.827 0.831 17857 581 1 2 . 1 1 10 10 THR N N 10 118.547 118.547 115.275 3.272 17857 582 1 2 . 1 1 10 10 THR HA H 10 4.116 4.116 4.189 -0.073 17857 583 1 2 . 1 1 10 10 THR C C 10 175.942 175.942 176.183 -0.241 17857 584 1 2 . 1 1 10 10 THR CA C 10 67.521 67.521 66.244 1.277 17857 585 1 2 . 1 1 10 10 THR CB C 10 67.933 67.933 68.875 -0.942 17857 586 1 2 . 1 1 10 10 THR H H 10 8.417 8.417 8.149 0.268 17857 587 1 2 . 1 1 11 11 LEU N N 11 121.715 121.715 122.430 -0.715 17857 588 1 2 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.292 -0.225 17857 589 1 2 . 1 1 11 11 LEU C C 11 181.784 181.784 179.319 2.465 17857 590 1 2 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.083 2.360 17857 591 1 2 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.211 -0.218 17857 592 1 2 . 1 1 11 11 LEU H H 11 8.324 8.324 7.357 0.967 17857 593 1 2 . 1 1 12 12 ILE N N 12 121.081 121.081 119.478 1.603 17857 594 1 2 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.918 -0.354 17857 595 1 2 . 1 1 12 12 ILE C C 12 176.221 176.221 177.017 -0.796 17857 596 1 2 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.683 1.495 17857 597 1 2 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.769 0.626 17857 598 1 2 . 1 1 12 12 ILE H H 12 8.419 8.419 8.234 0.185 17857 599 1 2 . 1 1 13 13 ASN N N 13 120.254 120.254 118.265 1.989 17857 600 1 2 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.562 -0.192 17857 601 1 2 . 1 1 13 13 ASN C C 13 179.124 179.124 177.130 1.994 17857 602 1 2 . 1 1 13 13 ASN CA C 13 56.615 56.615 56.098 0.517 17857 603 1 2 . 1 1 13 13 ASN CB C 13 38.155 38.155 37.986 0.169 17857 604 1 2 . 1 1 13 13 ASN H H 13 8.593 8.593 8.038 0.555 17857 605 1 2 . 1 1 14 14 VAL N N 14 121.599 121.599 118.069 3.530 17857 606 1 2 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.693 0.163 17857 607 1 2 . 1 1 14 14 VAL C C 14 177.155 177.155 176.898 0.257 17857 608 1 2 . 1 1 14 14 VAL CA C 14 66.705 66.705 64.684 2.021 17857 609 1 2 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.878 0.006 17857 610 1 2 . 1 1 14 14 VAL H H 14 8.838 8.838 7.427 1.411 17857 611 1 2 . 1 1 15 15 PHE N N 15 120.139 120.139 122.514 -2.375 17857 612 1 2 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.945 -0.346 17857 613 1 2 . 1 1 15 15 PHE C C 15 177.601 177.601 176.568 1.033 17857 614 1 2 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.129 0.270 17857 615 1 2 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.284 0.348 17857 616 1 2 . 1 1 15 15 PHE H H 15 7.456 7.456 7.432 0.024 17857 617 1 2 . 1 1 16 16 HIS N N 16 118.175 118.175 117.067 1.108 17857 618 1 2 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.381 0.762 17857 619 1 2 . 1 1 16 16 HIS C C 16 177.972 177.972 177.294 0.678 17857 620 1 2 . 1 1 16 16 HIS CA C 16 55.795 55.795 57.712 -1.917 17857 621 1 2 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.578 1.749 17857 622 1 2 . 1 1 16 16 HIS H H 16 9.137 9.137 8.571 0.566 17857 623 1 2 . 1 1 17 17 ALA N N 17 121.734 121.734 123.096 -1.362 17857 624 1 2 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.061 -0.241 17857 625 1 2 . 1 1 17 17 ALA C C 17 178.713 178.713 178.640 0.073 17857 626 1 2 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.441 0.176 17857 627 1 2 . 1 1 17 17 ALA CB C 17 17.700 17.700 17.675 0.025 17857 628 1 2 . 1 1 17 17 ALA H H 17 8.133 8.133 7.209 0.924 17857 629 1 2 . 1 1 18 18 HIS N N 18 113.408 113.408 115.630 -2.222 17857 630 1 2 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.480 -0.160 17857 631 1 2 . 1 1 18 18 HIS CA C 18 57.837 57.837 58.132 -0.295 17857 632 1 2 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.163 2.486 17857 633 1 2 . 1 1 18 18 HIS H H 18 7.286 7.286 7.435 -0.149 17857 634 1 2 . 1 1 19 19 SER N N 19 120.877 120.877 116.535 4.342 17857 635 1 2 . 1 1 19 19 SER HA H 19 4.124 4.124 4.123 0.001 17857 636 1 2 . 1 1 19 19 SER C C 19 176.676 176.676 176.735 -0.059 17857 637 1 2 . 1 1 19 19 SER CA C 19 60.979 60.979 60.916 0.063 17857 638 1 2 . 1 1 19 19 SER CB C 19 61.813 61.813 62.784 -0.971 17857 639 1 2 . 1 1 19 19 SER H H 19 9.322 9.322 8.108 1.214 17857 640 1 2 . 1 1 20 20 GLY N N 20 107.206 107.206 108.139 -0.933 17857 641 1 2 . 1 1 20 20 GLY C C 20 174.913 174.913 174.747 0.166 17857 642 1 2 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.529 -0.248 17857 643 1 2 . 1 1 20 20 GLY H H 20 8.233 8.233 7.885 0.348 17857 644 1 2 . 1 1 21 21 LYS N N 21 118.717 118.717 121.085 -2.368 17857 645 1 2 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.497 -0.456 17857 646 1 2 . 1 1 21 21 LYS C C 21 176.623 176.623 175.287 1.336 17857 647 1 2 . 1 1 21 21 LYS CA C 21 58.185 58.185 55.950 2.235 17857 648 1 2 . 1 1 21 21 LYS CB C 21 33.157 33.157 33.597 -0.440 17857 649 1 2 . 1 1 21 21 LYS H H 21 7.333 7.333 7.733 -0.400 17857 650 1 2 . 1 1 22 22 GLU N N 22 116.257 116.257 118.767 -2.510 17857 651 1 2 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.401 0.040 17857 652 1 2 . 1 1 22 22 GLU C C 22 175.554 175.554 176.472 -0.918 17857 653 1 2 . 1 1 22 22 GLU CA C 22 55.488 55.488 56.825 -1.337 17857 654 1 2 . 1 1 22 22 GLU CB C 22 31.892 31.892 30.332 1.560 17857 655 1 2 . 1 1 22 22 GLU H H 22 7.603 7.603 8.512 -0.909 17857 656 1 2 . 1 1 23 23 GLY N N 23 108.614 108.614 110.341 -1.727 17857 657 1 2 . 1 1 23 23 GLY C C 23 173.976 173.976 173.406 0.570 17857 658 1 2 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.165 1.859 17857 659 1 2 . 1 1 23 23 GLY H H 23 8.261 8.261 8.396 -0.135 17857 660 1 2 . 1 1 24 24 ASP N N 24 124.252 124.252 122.406 1.846 17857 661 1 2 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.755 -0.196 17857 662 1 2 . 1 1 24 24 ASP C C 24 177.376 177.376 177.276 0.100 17857 663 1 2 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.408 -0.584 17857 664 1 2 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.456 1.236 17857 665 1 2 . 1 1 24 24 ASP H H 24 8.313 8.313 8.538 -0.225 17857 666 1 2 . 1 1 25 25 LYS N N 25 125.006 125.006 123.539 1.467 17857 667 1 2 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.317 -0.180 17857 668 1 2 . 1 1 25 25 LYS C C 25 175.980 175.980 176.828 -0.848 17857 669 1 2 . 1 1 25 25 LYS CA C 25 57.436 57.436 57.906 -0.470 17857 670 1 2 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.133 0.212 17857 671 1 2 . 1 1 25 25 LYS H H 25 8.327 8.327 8.500 -0.173 17857 672 1 2 . 1 1 26 26 TYR N N 26 117.300 117.300 118.656 -1.356 17857 673 1 2 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.368 0.718 17857 674 1 2 . 1 1 26 26 TYR C C 26 175.592 175.592 176.501 -0.909 17857 675 1 2 . 1 1 26 26 TYR CA C 26 57.552 57.552 60.089 -2.537 17857 676 1 2 . 1 1 26 26 TYR CB C 26 38.052 38.052 38.629 -0.577 17857 677 1 2 . 1 1 26 26 TYR H H 26 8.490 8.490 7.841 0.649 17857 678 1 2 . 1 1 27 27 LYS N N 27 117.820 117.820 116.204 1.616 17857 679 1 2 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.863 0.640 17857 680 1 2 . 1 1 27 27 LYS C C 27 174.259 174.259 175.141 -0.882 17857 681 1 2 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.998 -0.904 17857 682 1 2 . 1 1 27 27 LYS CB C 27 37.626 37.626 36.474 1.152 17857 683 1 2 . 1 1 27 27 LYS H H 27 7.793 7.793 7.435 0.358 17857 684 1 2 . 1 1 28 28 LEU N N 28 120.282 120.282 121.240 -0.958 17857 685 1 2 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.486 0.262 17857 686 1 2 . 1 1 28 28 LEU C C 28 176.038 176.038 175.729 0.309 17857 687 1 2 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.904 -0.862 17857 688 1 2 . 1 1 28 28 LEU CB C 28 46.382 46.382 44.057 2.325 17857 689 1 2 . 1 1 28 28 LEU H H 28 8.692 8.692 8.366 0.326 17857 690 1 2 . 1 1 29 29 SER N N 29 119.669 119.669 111.319 8.350 17857 691 1 2 . 1 1 29 29 SER HA H 29 5.121 5.121 4.842 0.279 17857 692 1 2 . 1 1 29 29 SER C C 29 175.936 175.936 174.177 1.759 17857 693 1 2 . 1 1 29 29 SER CA C 29 57.760 57.760 57.505 0.255 17857 694 1 2 . 1 1 29 29 SER CB C 29 64.689 64.689 65.408 -0.719 17857 695 1 2 . 1 1 29 29 SER H H 29 8.797 8.797 7.948 0.849 17857 696 1 2 . 1 1 30 30 LYS N N 30 124.194 124.194 120.511 3.683 17857 697 1 2 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.253 -0.392 17857 698 1 2 . 1 1 30 30 LYS C C 30 178.523 178.523 178.332 0.191 17857 699 1 2 . 1 1 30 30 LYS CA C 30 61.591 61.591 58.504 3.087 17857 700 1 2 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.638 -0.634 17857 701 1 2 . 1 1 30 30 LYS H H 30 8.842 8.842 8.816 0.026 17857 702 1 2 . 1 1 31 31 LYS N N 31 119.922 119.922 120.893 -0.971 17857 703 1 2 . 1 1 31 31 LYS HA H 31 4.157 4.157 4.025 0.132 17857 704 1 2 . 1 1 31 31 LYS C C 31 179.293 179.293 179.386 -0.093 17857 705 1 2 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.316 0.110 17857 706 1 2 . 1 1 31 31 LYS CB C 31 32.586 32.586 31.748 0.838 17857 707 1 2 . 1 1 31 31 LYS H H 31 8.786 8.786 8.189 0.597 17857 708 1 2 . 1 1 32 32 GLN N N 32 119.859 119.859 117.583 2.276 17857 709 1 2 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.031 0.086 17857 710 1 2 . 1 1 32 32 GLN C C 32 179.272 179.272 178.120 1.152 17857 711 1 2 . 1 1 32 32 GLN CA C 32 58.178 58.178 57.828 0.350 17857 712 1 2 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.464 0.356 17857 713 1 2 . 1 1 32 32 GLN H H 32 7.769 7.769 7.513 0.256 17857 714 1 2 . 1 1 33 33 LEU N N 33 122.146 122.146 121.749 0.397 17857 715 1 2 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.902 0.143 17857 716 1 2 . 1 1 33 33 LEU C C 33 177.408 177.408 178.322 -0.914 17857 717 1 2 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.339 -1.004 17857 718 1 2 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.937 -1.390 17857 719 1 2 . 1 1 33 33 LEU H H 33 8.918 8.918 7.634 1.284 17857 720 1 2 . 1 1 34 34 LYS N N 34 120.726 120.726 117.665 3.061 17857 721 1 2 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.931 -0.305 17857 722 1 2 . 1 1 34 34 LYS C C 34 177.675 177.675 178.766 -1.091 17857 723 1 2 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.456 1.528 17857 724 1 2 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.178 -0.178 17857 725 1 2 . 1 1 34 34 LYS H H 34 8.423 8.423 7.835 0.588 17857 726 1 2 . 1 1 35 35 GLU N N 35 116.999 116.999 120.101 -3.102 17857 727 1 2 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.113 -0.043 17857 728 1 2 . 1 1 35 35 GLU C C 35 179.003 179.003 178.731 0.272 17857 729 1 2 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.157 0.345 17857 730 1 2 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.912 -0.517 17857 731 1 2 . 1 1 35 35 GLU H H 35 7.186 7.186 7.674 -0.488 17857 732 1 2 . 1 1 36 36 LEU N N 36 122.908 122.908 118.746 4.162 17857 733 1 2 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.243 -0.530 17857 734 1 2 . 1 1 36 36 LEU C C 36 178.810 178.810 178.726 0.084 17857 735 1 2 . 1 1 36 36 LEU CA C 36 59.433 59.433 57.818 1.615 17857 736 1 2 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.215 1.088 17857 737 1 2 . 1 1 36 36 LEU H H 36 8.141 8.141 8.363 -0.222 17857 738 1 2 . 1 1 37 37 LEU N N 37 119.746 119.746 121.157 -1.411 17857 739 1 2 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.833 -0.144 17857 740 1 2 . 1 1 37 37 LEU C C 37 178.128 178.128 179.007 -0.879 17857 741 1 2 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.568 -0.152 17857 742 1 2 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.453 0.070 17857 743 1 2 . 1 1 37 37 LEU H H 37 8.772 8.772 8.712 0.060 17857 744 1 2 . 1 1 38 38 GLN N N 38 113.312 113.312 116.928 -3.616 17857 745 1 2 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.120 -0.353 17857 746 1 2 . 1 1 38 38 GLN C C 38 177.536 177.536 177.958 -0.422 17857 747 1 2 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.453 0.333 17857 748 1 2 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.279 0.735 17857 749 1 2 . 1 1 38 38 GLN H H 38 8.082 8.082 8.042 0.040 17857 750 1 2 . 1 1 39 39 THR N N 39 109.779 109.779 115.572 -5.793 17857 751 1 2 . 1 1 39 39 THR HA H 39 4.312 4.312 4.019 0.293 17857 752 1 2 . 1 1 39 39 THR C C 39 176.802 176.802 175.901 0.901 17857 753 1 2 . 1 1 39 39 THR CA C 39 64.576 64.576 65.776 -1.200 17857 754 1 2 . 1 1 39 39 THR CB C 39 69.847 69.847 68.833 1.014 17857 755 1 2 . 1 1 39 39 THR H H 39 7.683 7.683 7.736 -0.053 17857 756 1 2 . 1 1 40 40 GLU N N 40 118.440 118.440 119.167 -0.727 17857 757 1 2 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.256 0.460 17857 758 1 2 . 1 1 40 40 GLU C C 40 177.106 177.106 177.682 -0.576 17857 759 1 2 . 1 1 40 40 GLU CA C 40 56.922 56.922 58.268 -1.346 17857 760 1 2 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.039 0.223 17857 761 1 2 . 1 1 40 40 GLU H H 40 8.971 8.971 8.373 0.598 17857 762 1 2 . 1 1 41 41 LEU N N 41 119.219 119.219 118.216 1.003 17857 763 1 2 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.424 0.704 17857 764 1 2 . 1 1 41 41 LEU C C 41 177.669 177.669 177.403 0.266 17857 765 1 2 . 1 1 41 41 LEU CA C 41 53.300 53.300 55.489 -2.189 17857 766 1 2 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.998 -0.790 17857 767 1 2 . 1 1 41 41 LEU H H 41 7.733 7.733 7.990 -0.257 17857 768 1 2 . 1 1 42 42 SER N N 42 112.897 112.897 112.151 0.746 17857 769 1 2 . 1 1 42 42 SER HA H 42 3.880 3.880 4.190 -0.310 17857 770 1 2 . 1 1 42 42 SER C C 42 176.429 176.429 174.691 1.738 17857 771 1 2 . 1 1 42 42 SER CA C 42 61.867 61.867 58.118 3.749 17857 772 1 2 . 1 1 42 42 SER CB C 42 62.864 62.864 62.962 -0.098 17857 773 1 2 . 1 1 42 42 SER H H 42 6.915 6.915 8.123 -1.208 17857 774 1 2 . 1 1 43 43 GLY N N 43 114.357 114.357 107.821 6.536 17857 775 1 2 . 1 1 43 43 GLY C C 43 178.051 178.051 174.090 3.961 17857 776 1 2 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.850 0.994 17857 777 1 2 . 1 1 43 43 GLY H H 43 9.244 9.244 8.048 1.196 17857 778 1 2 . 1 1 44 44 PHE N N 44 124.297 124.297 121.418 2.879 17857 779 1 2 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.380 0.213 17857 780 1 2 . 1 1 44 44 PHE C C 44 178.168 178.168 177.992 0.176 17857 781 1 2 . 1 1 44 44 PHE CA C 44 57.510 57.510 59.781 -2.271 17857 782 1 2 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.331 -2.188 17857 783 1 2 . 1 1 44 44 PHE H H 44 8.273 8.273 8.154 0.119 17857 784 1 2 . 1 1 45 45 LEU N N 45 116.097 116.097 116.751 -0.654 17857 785 1 2 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.242 -0.066 17857 786 1 2 . 1 1 45 45 LEU C C 45 179.069 179.069 177.520 1.549 17857 787 1 2 . 1 1 45 45 LEU CA C 45 57.580 57.580 57.236 0.344 17857 788 1 2 . 1 1 45 45 LEU CB C 45 41.377 41.377 40.925 0.452 17857 789 1 2 . 1 1 45 45 LEU H H 45 8.559 8.559 7.886 0.673 17857 790 1 2 . 1 1 46 46 ASP N N 46 119.849 119.849 119.856 -0.007 17857 791 1 2 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.484 0.229 17857 792 1 2 . 1 1 46 46 ASP C C 46 176.152 176.152 175.904 0.248 17857 793 1 2 . 1 1 46 46 ASP CA C 46 55.845 55.845 55.105 0.740 17857 794 1 2 . 1 1 46 46 ASP CB C 46 41.640 41.640 41.152 0.488 17857 795 1 2 . 1 1 46 46 ASP H H 46 7.707 7.707 7.629 0.078 17857 796 1 2 . 1 1 47 47 ALA N N 47 124.027 124.027 121.751 2.276 17857 797 1 2 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.588 0.020 17857 798 1 2 . 1 1 47 47 ALA C C 47 176.271 176.271 175.550 0.721 17857 799 1 2 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.528 -1.807 17857 800 1 2 . 1 1 47 47 ALA CB C 47 18.985 18.985 20.403 -1.418 17857 801 1 2 . 1 1 47 47 ALA H H 47 7.710 7.710 7.389 0.321 17857 802 1 2 . 1 1 48 48 GLN N N 48 117.138 117.138 121.736 -4.598 17857 803 1 2 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.500 -0.385 17857 804 1 2 . 1 1 48 48 GLN C C 48 175.907 175.907 175.934 -0.027 17857 805 1 2 . 1 1 48 48 GLN CA C 48 57.074 57.074 54.812 2.262 17857 806 1 2 . 1 1 48 48 GLN CB C 48 30.504 30.504 28.999 1.505 17857 807 1 2 . 1 1 48 48 GLN H H 48 7.562 7.562 8.546 -0.984 17857 808 1 2 . 1 1 49 49 LYS N N 49 121.265 121.265 124.389 -3.124 17857 809 1 2 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.134 0.015 17857 810 1 2 . 1 1 49 49 LYS C C 49 176.157 176.157 176.903 -0.746 17857 811 1 2 . 1 1 49 49 LYS CA C 49 56.337 56.337 57.953 -1.616 17857 812 1 2 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.899 -1.668 17857 813 1 2 . 1 1 49 49 LYS H H 49 7.974 7.974 8.772 -0.798 17857 814 1 2 . 1 1 50 50 ASP N N 50 119.019 119.019 118.059 0.960 17857 815 1 2 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.669 0.013 17857 816 1 2 . 1 1 50 50 ASP C C 50 175.466 175.466 176.061 -0.595 17857 817 1 2 . 1 1 50 50 ASP CA C 50 51.810 51.810 53.956 -2.146 17857 818 1 2 . 1 1 50 50 ASP CB C 50 39.955 39.955 42.979 -3.024 17857 819 1 2 . 1 1 50 50 ASP H H 50 7.523 7.523 7.536 -0.013 17857 820 1 2 . 1 1 51 51 VAL N N 51 121.906 121.906 119.104 2.802 17857 821 1 2 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.209 -0.348 17857 822 1 2 . 1 1 51 51 VAL C C 51 178.158 178.158 176.430 1.728 17857 823 1 2 . 1 1 51 51 VAL CA C 51 64.804 64.804 63.706 1.099 17857 824 1 2 . 1 1 51 51 VAL CB C 51 31.831 31.831 33.454 -1.623 17857 825 1 2 . 1 1 51 51 VAL H H 51 7.618 7.618 8.060 -0.442 17857 826 1 2 . 1 1 52 52 ASP N N 52 119.692 119.692 121.441 -1.749 17857 827 1 2 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.380 -0.021 17857 828 1 2 . 1 1 52 52 ASP C C 52 178.427 178.427 177.768 0.659 17857 829 1 2 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.938 -0.579 17857 830 1 2 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.645 1.276 17857 831 1 2 . 1 1 52 52 ASP H H 52 8.081 8.081 8.763 -0.682 17857 832 1 2 . 1 1 53 53 ALA N N 53 122.046 122.046 122.778 -0.732 17857 833 1 2 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.134 -0.114 17857 834 1 2 . 1 1 53 53 ALA C C 53 180.602 180.602 179.255 1.347 17857 835 1 2 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.703 0.027 17857 836 1 2 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.372 0.495 17857 837 1 2 . 1 1 53 53 ALA H H 53 7.538 7.538 8.329 -0.791 17857 838 1 2 . 1 1 54 54 VAL N N 54 117.817 117.817 117.973 -0.156 17857 839 1 2 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.703 -0.353 17857 840 1 2 . 1 1 54 54 VAL C C 54 177.718 177.718 177.738 -0.020 17857 841 1 2 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.096 1.571 17857 842 1 2 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.605 0.111 17857 843 1 2 . 1 1 54 54 VAL H H 54 7.286 7.286 7.585 -0.299 17857 844 1 2 . 1 1 55 55 ASP N N 55 119.601 119.601 120.515 -0.914 17857 845 1 2 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.415 -0.128 17857 846 1 2 . 1 1 55 55 ASP C C 55 178.508 178.508 177.979 0.529 17857 847 1 2 . 1 1 55 55 ASP CA C 55 57.618 57.618 57.449 0.169 17857 848 1 2 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.736 0.491 17857 849 1 2 . 1 1 55 55 ASP H H 55 8.456 8.456 8.322 0.134 17857 850 1 2 . 1 1 56 56 LYS N N 56 117.890 117.890 120.525 -2.635 17857 851 1 2 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.970 -0.035 17857 852 1 2 . 1 1 56 56 LYS C C 56 179.509 179.509 178.973 0.536 17857 853 1 2 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.673 0.216 17857 854 1 2 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.455 0.065 17857 855 1 2 . 1 1 56 56 LYS H H 56 7.921 7.921 7.883 0.038 17857 856 1 2 . 1 1 57 57 VAL N N 57 119.196 119.196 119.816 -0.620 17857 857 1 2 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.747 -0.025 17857 858 1 2 . 1 1 57 57 VAL C C 57 177.928 177.928 177.440 0.488 17857 859 1 2 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.565 0.653 17857 860 1 2 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.597 0.734 17857 861 1 2 . 1 1 57 57 VAL H H 57 7.292 7.292 7.434 -0.142 17857 862 1 2 . 1 1 58 58 MET N N 58 115.902 115.902 117.726 -1.824 17857 863 1 2 . 1 1 58 58 MET HA H 58 4.128 4.128 4.164 -0.036 17857 864 1 2 . 1 1 58 58 MET C C 58 178.952 178.952 178.662 0.290 17857 865 1 2 . 1 1 58 58 MET CA C 58 57.582 57.582 58.767 -1.185 17857 866 1 2 . 1 1 58 58 MET CB C 58 31.511 31.511 32.517 -1.006 17857 867 1 2 . 1 1 58 58 MET H H 58 8.313 8.313 7.389 0.924 17857 868 1 2 . 1 1 59 59 LYS N N 59 118.845 118.845 120.929 -2.084 17857 869 1 2 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.895 0.177 17857 870 1 2 . 1 1 59 59 LYS C C 59 179.149 179.149 178.024 1.125 17857 871 1 2 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.652 -0.492 17857 872 1 2 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.190 0.355 17857 873 1 2 . 1 1 59 59 LYS H H 59 8.563 8.563 8.665 -0.102 17857 874 1 2 . 1 1 60 60 GLU N N 60 119.868 119.868 119.838 0.030 17857 875 1 2 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.008 0.024 17857 876 1 2 . 1 1 60 60 GLU C C 60 179.083 179.083 178.860 0.223 17857 877 1 2 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.480 0.286 17857 878 1 2 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.335 -0.578 17857 879 1 2 . 1 1 60 60 GLU H H 60 7.467 7.467 8.006 -0.539 17857 880 1 2 . 1 1 61 61 LEU N N 61 116.866 116.866 117.747 -0.881 17857 881 1 2 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.021 -0.054 17857 882 1 2 . 1 1 61 61 LEU C C 61 177.870 177.870 178.904 -1.034 17857 883 1 2 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.648 -0.397 17857 884 1 2 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.828 -1.058 17857 885 1 2 . 1 1 61 61 LEU H H 61 7.597 7.597 7.579 0.018 17857 886 1 2 . 1 1 62 62 ASP N N 62 115.773 115.773 118.042 -2.269 17857 887 1 2 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.385 0.102 17857 888 1 2 . 1 1 62 62 ASP C C 62 178.871 178.871 178.747 0.124 17857 889 1 2 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.597 -0.476 17857 890 1 2 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.703 1.123 17857 891 1 2 . 1 1 62 62 ASP H H 62 7.509 7.509 7.785 -0.276 17857 892 1 2 . 1 1 63 63 GLU N N 63 119.120 119.120 118.872 0.248 17857 893 1 2 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.127 0.004 17857 894 1 2 . 1 1 63 63 GLU C C 63 176.937 176.937 176.559 0.378 17857 895 1 2 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.139 -0.086 17857 896 1 2 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.677 -0.558 17857 897 1 2 . 1 1 63 63 GLU H H 63 8.068 8.068 8.310 -0.242 17857 898 1 2 . 1 1 64 64 ASN N N 64 117.779 117.779 114.782 2.997 17857 899 1 2 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.856 0.266 17857 900 1 2 . 1 1 64 64 ASN C C 64 176.299 176.299 174.252 2.047 17857 901 1 2 . 1 1 64 64 ASN CA C 64 52.221 52.221 52.714 -0.493 17857 902 1 2 . 1 1 64 64 ASN CB C 64 38.943 38.943 39.621 -0.678 17857 903 1 2 . 1 1 64 64 ASN H H 64 7.719 7.719 7.884 -0.165 17857 904 1 2 . 1 1 65 65 GLY N N 65 106.860 106.860 108.906 -2.046 17857 905 1 2 . 1 1 65 65 GLY C C 65 174.113 174.113 173.821 0.292 17857 906 1 2 . 1 1 65 65 GLY CA C 65 47.965 47.965 44.523 3.442 17857 907 1 2 . 1 1 65 65 GLY H H 65 7.705 7.705 8.715 -1.010 17857 908 1 2 . 1 1 66 66 ASP N N 66 115.761 115.761 120.610 -4.849 17857 909 1 2 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.614 0.223 17857 910 1 2 . 1 1 66 66 ASP C C 66 177.865 177.865 176.971 0.894 17857 911 1 2 . 1 1 66 66 ASP CA C 66 54.199 54.199 54.304 -0.105 17857 912 1 2 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.284 -0.500 17857 913 1 2 . 1 1 66 66 ASP H H 66 8.266 8.266 7.509 0.757 17857 914 1 2 . 1 1 67 67 GLY N N 67 109.034 109.034 108.186 0.848 17857 915 1 2 . 1 1 67 67 GLY C C 67 172.364 172.364 173.166 -0.802 17857 916 1 2 . 1 1 67 67 GLY CA C 67 45.136 45.136 44.540 0.596 17857 917 1 2 . 1 1 67 67 GLY H H 67 8.237 8.237 7.743 0.494 17857 918 1 2 . 1 1 68 68 GLU N N 68 117.964 117.964 119.436 -1.472 17857 919 1 2 . 1 1 68 68 GLU HA H 68 5.169 5.169 4.111 1.058 17857 920 1 2 . 1 1 68 68 GLU C C 68 176.201 176.201 174.873 1.328 17857 921 1 2 . 1 1 68 68 GLU CA C 68 55.328 55.328 57.001 -1.673 17857 922 1 2 . 1 1 68 68 GLU CB C 68 33.900 33.900 29.713 4.187 17857 923 1 2 . 1 1 68 68 GLU H H 68 8.415 8.415 8.538 -0.123 17857 924 1 2 . 1 1 69 69 VAL N N 69 116.232 116.232 122.773 -6.541 17857 925 1 2 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.414 0.487 17857 926 1 2 . 1 1 69 69 VAL C C 69 174.378 174.378 174.693 -0.315 17857 927 1 2 . 1 1 69 69 VAL CA C 69 59.551 59.551 61.107 -1.556 17857 928 1 2 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.497 -0.399 17857 929 1 2 . 1 1 69 69 VAL H H 69 9.134 9.134 7.849 1.285 17857 930 1 2 . 1 1 70 70 ASP N N 70 121.337 121.337 125.148 -3.811 17857 931 1 2 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.971 0.560 17857 932 1 2 . 1 1 70 70 ASP C C 70 176.081 176.081 176.742 -0.661 17857 933 1 2 . 1 1 70 70 ASP CA C 70 51.315 51.315 51.866 -0.551 17857 934 1 2 . 1 1 70 70 ASP CB C 70 42.873 42.873 43.849 -0.976 17857 935 1 2 . 1 1 70 70 ASP H H 70 8.233 8.233 8.191 0.042 17857 936 1 2 . 1 1 71 71 PHE N N 71 119.131 119.131 122.653 -3.522 17857 937 1 2 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.841 -0.392 17857 938 1 2 . 1 1 71 71 PHE C C 71 176.693 176.693 176.880 -0.187 17857 939 1 2 . 1 1 71 71 PHE CA C 71 61.576 61.576 62.024 -0.448 17857 940 1 2 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.240 1.228 17857 941 1 2 . 1 1 71 71 PHE H H 71 9.370 9.370 8.856 0.514 17857 942 1 2 . 1 1 72 72 GLN N N 72 116.462 116.462 117.967 -1.505 17857 943 1 2 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.919 -0.481 17857 944 1 2 . 1 1 72 72 GLN C C 72 177.396 177.396 178.081 -0.685 17857 945 1 2 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.415 1.352 17857 946 1 2 . 1 1 72 72 GLN CB C 72 28.783 28.783 27.991 0.792 17857 947 1 2 . 1 1 72 72 GLN H H 72 8.096 8.096 8.677 -0.581 17857 948 1 2 . 1 1 73 73 GLU N N 73 119.541 119.541 119.129 0.412 17857 949 1 2 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.085 -0.098 17857 950 1 2 . 1 1 73 73 GLU C C 73 178.861 178.861 178.631 0.230 17857 951 1 2 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.901 0.378 17857 952 1 2 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.254 1.052 17857 953 1 2 . 1 1 73 73 GLU H H 73 8.139 8.139 8.603 -0.464 17857 954 1 2 . 1 1 74 74 TYR N N 74 122.065 122.065 121.308 0.757 17857 955 1 2 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.212 0.110 17857 956 1 2 . 1 1 74 74 TYR C C 74 175.562 175.562 177.090 -1.528 17857 957 1 2 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.135 -0.807 17857 958 1 2 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.682 -1.815 17857 959 1 2 . 1 1 74 74 TYR H H 74 8.157 8.157 8.291 -0.134 17857 960 1 2 . 1 1 75 75 VAL N N 75 119.872 119.872 115.763 4.109 17857 961 1 2 . 1 1 75 75 VAL HA H 75 2.670 2.670 2.966 -0.296 17857 962 1 2 . 1 1 75 75 VAL C C 75 177.425 177.425 177.638 -0.213 17857 963 1 2 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.544 1.457 17857 964 1 2 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.842 -0.141 17857 965 1 2 . 1 1 75 75 VAL H H 75 7.915 7.915 7.567 0.348 17857 966 1 2 . 1 1 76 76 VAL N N 76 119.169 119.169 120.477 -1.308 17857 967 1 2 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.471 -0.121 17857 968 1 2 . 1 1 76 76 VAL C C 76 178.933 178.933 177.942 0.991 17857 969 1 2 . 1 1 76 76 VAL CA C 76 66.800 66.800 66.118 0.682 17857 970 1 2 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.633 -0.033 17857 971 1 2 . 1 1 76 76 VAL H H 76 7.545 7.545 7.066 0.479 17857 972 1 2 . 1 1 77 77 LEU N N 77 121.356 121.356 119.881 1.475 17857 973 1 2 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.854 0.325 17857 974 1 2 . 1 1 77 77 LEU C C 77 179.226 179.226 179.077 0.149 17857 975 1 2 . 1 1 77 77 LEU CA C 77 58.273 58.273 58.110 0.163 17857 976 1 2 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.704 0.288 17857 977 1 2 . 1 1 77 77 LEU H H 77 7.789 7.789 7.327 0.462 17857 978 1 2 . 1 1 78 78 VAL N N 78 119.358 119.358 117.756 1.602 17857 979 1 2 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.561 -0.108 17857 980 1 2 . 1 1 78 78 VAL C C 78 180.653 180.653 177.053 3.600 17857 981 1 2 . 1 1 78 78 VAL CA C 78 67.253 67.253 65.925 1.328 17857 982 1 2 . 1 1 78 78 VAL CB C 78 31.392 31.392 31.397 -0.005 17857 983 1 2 . 1 1 78 78 VAL H H 78 8.350 8.350 7.628 0.722 17857 984 1 2 . 1 1 79 79 ALA N N 79 125.018 125.018 119.824 5.194 17857 985 1 2 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.114 -0.076 17857 986 1 2 . 1 1 79 79 ALA C C 79 178.321 178.321 178.502 -0.181 17857 987 1 2 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.535 2.546 17857 988 1 2 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.374 -0.085 17857 989 1 2 . 1 1 79 79 ALA H H 79 9.009 9.009 7.095 1.914 17857 990 1 2 . 1 1 80 80 ALA N N 80 121.933 121.933 123.539 -1.606 17857 991 1 2 . 1 1 80 80 ALA HA H 80 4.003 4.003 3.997 0.006 17857 992 1 2 . 1 1 80 80 ALA C C 80 181.548 181.548 179.226 2.322 17857 993 1 2 . 1 1 80 80 ALA CA C 80 55.419 55.419 55.102 0.316 17857 994 1 2 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.081 -0.412 17857 995 1 2 . 1 1 80 80 ALA H H 80 8.311 8.311 7.623 0.688 17857 996 1 2 . 1 1 81 81 LEU N N 81 117.563 117.563 114.552 3.011 17857 997 1 2 . 1 1 81 81 LEU HA H 81 4.033 4.033 4.024 0.009 17857 998 1 2 . 1 1 81 81 LEU C C 81 178.536 178.536 178.039 0.497 17857 999 1 2 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.030 0.633 17857 1000 1 2 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.316 0.637 17857 1001 1 2 . 1 1 81 81 LEU H H 81 8.056 8.056 7.480 0.576 17857 1002 1 2 . 1 1 82 82 THR N N 82 117.473 117.473 115.229 2.244 17857 1003 1 2 . 1 1 82 82 THR HA H 82 3.669 3.669 3.334 0.335 17857 1004 1 2 . 1 1 82 82 THR C C 82 176.658 176.658 176.334 0.324 17857 1005 1 2 . 1 1 82 82 THR CA C 82 68.836 68.836 66.072 2.764 17857 1006 1 2 . 1 1 82 82 THR CB C 82 67.515 67.515 68.630 -1.115 17857 1007 1 2 . 1 1 82 82 THR H H 82 8.299 8.299 7.102 1.197 17857 1008 1 2 . 1 1 83 83 VAL N N 83 121.111 121.111 121.325 -0.214 17857 1009 1 2 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.572 -0.446 17857 1010 1 2 . 1 1 83 83 VAL C C 83 176.323 176.323 177.304 -0.981 17857 1011 1 2 . 1 1 83 83 VAL CA C 83 65.247 65.247 66.085 -0.838 17857 1012 1 2 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.407 -0.385 17857 1013 1 2 . 1 1 83 83 VAL H H 83 7.953 7.953 7.851 0.102 17857 1014 1 2 . 1 1 84 84 ALA N N 84 117.068 117.068 120.291 -3.223 17857 1015 1 2 . 1 1 84 84 ALA HA H 84 4.573 4.573 3.953 0.620 17857 1016 1 2 . 1 1 84 84 ALA C C 84 177.919 177.919 177.392 0.527 17857 1017 1 2 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.440 -0.420 17857 1018 1 2 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.121 2.822 17857 1019 1 2 . 1 1 84 84 ALA H H 84 7.105 7.105 7.485 -0.380 17857 1020 1 2 . 1 1 85 85 CYS N N 85 112.195 112.195 114.818 -2.623 17857 1021 1 2 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.634 -0.094 17857 1022 1 2 . 1 1 85 85 CYS C C 85 173.282 173.282 176.135 -2.853 17857 1023 1 2 . 1 1 85 85 CYS CA C 85 60.342 60.342 58.922 1.420 17857 1024 1 2 . 1 1 85 85 CYS CB C 85 32.440 32.440 29.354 3.086 17857 1025 1 2 . 1 1 85 85 CYS H H 85 7.371 7.371 7.961 -0.590 17857 1026 1 2 . 1 1 86 86 ASN N N 86 118.815 118.815 120.346 -1.531 17857 1027 1 2 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.375 0.122 17857 1028 1 2 . 1 1 86 86 ASN CA C 86 54.737 54.737 56.735 -1.998 17857 1029 1 2 . 1 1 86 86 ASN CB C 86 42.130 42.130 38.763 3.367 17857 1030 1 2 . 1 1 86 86 ASN H H 86 8.347 8.347 8.421 -0.074 17857 1031 1 2 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.496 -0.171 17857 1032 1 2 . 1 1 87 87 ASN C C 87 176.216 176.216 174.509 1.707 17857 1033 1 2 . 1 1 87 87 ASN CA C 87 56.570 56.570 53.898 2.672 17857 1034 1 2 . 1 1 87 87 ASN CB C 87 38.479 38.479 37.301 1.178 17857 1035 1 2 . 1 1 88 88 PHE N N 88 120.522 120.522 119.178 1.344 17857 1036 1 2 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.323 -0.226 17857 1037 1 2 . 1 1 88 88 PHE C C 88 176.803 176.803 176.360 0.443 17857 1038 1 2 . 1 1 88 88 PHE CA C 88 61.023 61.023 61.041 -0.018 17857 1039 1 2 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.760 -0.078 17857 1040 1 2 . 1 1 88 88 PHE H H 88 8.642 8.642 7.969 0.673 17857 1041 1 2 . 1 1 89 89 PHE N N 89 112.727 112.727 118.719 -5.992 17857 1042 1 2 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.280 -0.477 17857 1043 1 2 . 1 1 89 89 PHE C C 89 173.691 173.691 175.362 -1.671 17857 1044 1 2 . 1 1 89 89 PHE CA C 89 59.208 59.208 60.120 -0.912 17857 1045 1 2 . 1 1 89 89 PHE CB C 89 39.029 39.029 39.413 -0.384 17857 1046 1 2 . 1 1 89 89 PHE H H 89 7.408 7.408 8.507 -1.099 17857 1047 1 2 . 1 1 90 90 TRP N N 90 118.731 118.731 119.757 -1.026 17857 1048 1 2 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.503 0.087 17857 1049 1 2 . 1 1 90 90 TRP C C 90 175.269 175.269 176.048 -0.779 17857 1050 1 2 . 1 1 90 90 TRP CA C 90 56.840 56.840 58.091 -1.251 17857 1051 1 2 . 1 1 90 90 TRP CB C 90 31.400 31.400 28.150 3.250 17857 1052 1 2 . 1 1 90 90 TRP H H 90 7.359 7.359 8.255 -0.896 17857 1053 1 2 . 1 1 91 91 GLU N N 91 121.302 121.302 124.175 -2.873 17857 1054 1 2 . 1 1 91 91 GLU HA H 91 4.342 4.342 3.887 0.455 17857 1055 1 2 . 1 1 91 91 GLU C C 91 176.081 176.081 177.405 -1.324 17857 1056 1 2 . 1 1 91 91 GLU CA C 91 56.857 56.857 56.996 -0.139 17857 1057 1 2 . 1 1 91 91 GLU CB C 91 30.548 30.548 29.739 0.809 17857 1058 1 2 . 1 1 91 91 GLU H H 91 7.766 7.766 8.248 -0.482 17857 1059 1 2 . 1 1 92 92 ASN N N 92 120.522 120.522 118.340 2.182 17857 1060 1 2 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.595 0.172 17857 1061 1 2 . 1 1 92 92 ASN C C 92 174.283 174.283 174.773 -0.490 17857 1062 1 2 . 1 1 92 92 ASN CA C 92 53.407 53.407 53.825 -0.418 17857 1063 1 2 . 1 1 92 92 ASN CB C 92 39.276 39.276 37.896 1.380 17857 1064 1 2 . 1 1 92 92 ASN H H 92 8.462 8.462 8.374 0.088 17857 1065 1 3 . 1 1 2 2 SER N N 2 118.698 118.698 114.936 3.762 17857 1066 1 3 . 1 1 2 2 SER HA H 2 4.691 4.691 4.682 0.009 17857 1067 1 3 . 1 1 2 2 SER C C 2 175.496 175.496 174.791 0.705 17857 1068 1 3 . 1 1 2 2 SER CA C 2 57.481 57.481 56.999 0.482 17857 1069 1 3 . 1 1 2 2 SER CB C 2 65.371 65.371 65.936 -0.565 17857 1070 1 3 . 1 1 2 2 SER H H 2 9.211 9.211 8.162 1.048 17857 1071 1 3 . 1 1 3 3 GLU N N 3 122.860 122.860 119.778 3.082 17857 1072 1 3 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.116 -0.001 17857 1073 1 3 . 1 1 3 3 GLU C C 3 179.171 179.171 178.177 0.994 17857 1074 1 3 . 1 1 3 3 GLU CA C 3 60.757 60.757 59.284 1.473 17857 1075 1 3 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.469 -0.430 17857 1076 1 3 . 1 1 3 3 GLU H H 3 9.205 9.205 8.903 0.302 17857 1077 1 3 . 1 1 4 4 LEU N N 4 120.718 120.718 120.156 0.562 17857 1078 1 3 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.154 -0.118 17857 1079 1 3 . 1 1 4 4 LEU C C 4 178.360 178.360 178.394 -0.034 17857 1080 1 3 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.452 0.459 17857 1081 1 3 . 1 1 4 4 LEU CB C 4 42.362 42.362 42.041 0.321 17857 1082 1 3 . 1 1 4 4 LEU H H 4 8.854 8.854 7.525 1.329 17857 1083 1 3 . 1 1 5 5 GLU N N 5 118.542 118.542 118.226 0.316 17857 1084 1 3 . 1 1 5 5 GLU HA H 5 3.255 3.255 4.065 -0.810 17857 1085 1 3 . 1 1 5 5 GLU C C 5 179.204 179.204 179.239 -0.035 17857 1086 1 3 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.477 0.340 17857 1087 1 3 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.196 0.007 17857 1088 1 3 . 1 1 5 5 GLU H H 5 7.791 7.791 7.643 0.148 17857 1089 1 3 . 1 1 6 6 THR N N 6 115.783 115.783 113.920 1.863 17857 1090 1 3 . 1 1 6 6 THR HA H 6 4.017 4.017 4.449 -0.432 17857 1091 1 3 . 1 1 6 6 THR C C 6 176.807 176.807 175.937 0.870 17857 1092 1 3 . 1 1 6 6 THR CA C 6 66.668 66.668 63.760 2.908 17857 1093 1 3 . 1 1 6 6 THR CB C 6 68.763 68.763 68.604 0.159 17857 1094 1 3 . 1 1 6 6 THR H H 6 8.371 8.371 7.547 0.824 17857 1095 1 3 . 1 1 7 7 ALA N N 7 125.707 125.707 124.845 0.862 17857 1096 1 3 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.035 0.237 17857 1097 1 3 . 1 1 7 7 ALA C C 7 179.856 179.856 179.695 0.161 17857 1098 1 3 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.327 0.375 17857 1099 1 3 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.232 -0.002 17857 1100 1 3 . 1 1 7 7 ALA H H 7 8.267 8.267 7.662 0.605 17857 1101 1 3 . 1 1 8 8 MET N N 8 115.222 115.222 115.656 -0.434 17857 1102 1 3 . 1 1 8 8 MET HA H 8 4.858 4.858 4.382 0.476 17857 1103 1 3 . 1 1 8 8 MET C C 8 179.635 179.635 178.567 1.068 17857 1104 1 3 . 1 1 8 8 MET CA C 8 56.669 56.669 56.674 -0.005 17857 1105 1 3 . 1 1 8 8 MET CB C 8 29.136 29.136 31.399 -2.263 17857 1106 1 3 . 1 1 8 8 MET H H 8 8.106 8.106 7.729 0.377 17857 1107 1 3 . 1 1 9 9 GLU N N 9 120.456 120.456 120.291 0.165 17857 1108 1 3 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.051 0.064 17857 1109 1 3 . 1 1 9 9 GLU C C 9 179.531 179.531 179.236 0.295 17857 1110 1 3 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.241 1.390 17857 1111 1 3 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.320 -0.343 17857 1112 1 3 . 1 1 9 9 GLU H H 9 8.658 8.658 8.016 0.642 17857 1113 1 3 . 1 1 10 10 THR N N 10 118.547 118.547 116.264 2.283 17857 1114 1 3 . 1 1 10 10 THR HA H 10 4.116 4.116 4.220 -0.104 17857 1115 1 3 . 1 1 10 10 THR C C 10 175.942 175.942 176.251 -0.309 17857 1116 1 3 . 1 1 10 10 THR CA C 10 67.521 67.521 66.010 1.511 17857 1117 1 3 . 1 1 10 10 THR CB C 10 67.933 67.933 68.618 -0.685 17857 1118 1 3 . 1 1 10 10 THR H H 10 8.417 8.417 7.909 0.508 17857 1119 1 3 . 1 1 11 11 LEU N N 11 121.715 121.715 122.885 -1.170 17857 1120 1 3 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.263 -0.196 17857 1121 1 3 . 1 1 11 11 LEU C C 11 181.784 181.784 178.980 2.804 17857 1122 1 3 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.452 1.991 17857 1123 1 3 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.293 -0.300 17857 1124 1 3 . 1 1 11 11 LEU H H 11 8.324 8.324 7.461 0.863 17857 1125 1 3 . 1 1 12 12 ILE N N 12 121.081 121.081 118.773 2.308 17857 1126 1 3 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.640 -0.076 17857 1127 1 3 . 1 1 12 12 ILE C C 12 176.221 176.221 176.864 -0.643 17857 1128 1 3 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.346 1.832 17857 1129 1 3 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.567 0.828 17857 1130 1 3 . 1 1 12 12 ILE H H 12 8.419 8.419 8.120 0.299 17857 1131 1 3 . 1 1 13 13 ASN N N 13 120.254 120.254 118.659 1.595 17857 1132 1 3 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.519 -0.149 17857 1133 1 3 . 1 1 13 13 ASN C C 13 179.124 179.124 177.089 2.035 17857 1134 1 3 . 1 1 13 13 ASN CA C 13 56.615 56.615 56.116 0.499 17857 1135 1 3 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.352 -0.197 17857 1136 1 3 . 1 1 13 13 ASN H H 13 8.593 8.593 7.852 0.741 17857 1137 1 3 . 1 1 14 14 VAL N N 14 121.599 121.599 117.804 3.795 17857 1138 1 3 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.604 0.252 17857 1139 1 3 . 1 1 14 14 VAL C C 14 177.155 177.155 177.116 0.039 17857 1140 1 3 . 1 1 14 14 VAL CA C 14 66.705 66.705 64.774 1.931 17857 1141 1 3 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.941 -0.057 17857 1142 1 3 . 1 1 14 14 VAL H H 14 8.838 8.838 7.393 1.445 17857 1143 1 3 . 1 1 15 15 PHE N N 15 120.139 120.139 122.681 -2.542 17857 1144 1 3 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.890 -0.291 17857 1145 1 3 . 1 1 15 15 PHE C C 15 177.601 177.601 176.552 1.049 17857 1146 1 3 . 1 1 15 15 PHE CA C 15 62.399 62.399 61.793 0.606 17857 1147 1 3 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.263 0.369 17857 1148 1 3 . 1 1 15 15 PHE H H 15 7.456 7.456 7.417 0.039 17857 1149 1 3 . 1 1 16 16 HIS N N 16 118.175 118.175 117.350 0.825 17857 1150 1 3 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.314 0.829 17857 1151 1 3 . 1 1 16 16 HIS C C 16 177.972 177.972 177.154 0.818 17857 1152 1 3 . 1 1 16 16 HIS CA C 16 55.795 55.795 57.382 -1.587 17857 1153 1 3 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.444 1.883 17857 1154 1 3 . 1 1 16 16 HIS H H 16 9.137 9.137 8.373 0.764 17857 1155 1 3 . 1 1 17 17 ALA N N 17 121.734 121.734 121.656 0.078 17857 1156 1 3 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.024 -0.204 17857 1157 1 3 . 1 1 17 17 ALA C C 17 178.713 178.713 178.214 0.499 17857 1158 1 3 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.221 0.397 17857 1159 1 3 . 1 1 17 17 ALA CB C 17 17.700 17.700 18.063 -0.363 17857 1160 1 3 . 1 1 17 17 ALA H H 17 8.133 8.133 6.924 1.209 17857 1161 1 3 . 1 1 18 18 HIS N N 18 113.408 113.408 114.639 -1.231 17857 1162 1 3 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.607 -0.287 17857 1163 1 3 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.147 0.691 17857 1164 1 3 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.423 2.225 17857 1165 1 3 . 1 1 18 18 HIS H H 18 7.286 7.286 7.481 -0.195 17857 1166 1 3 . 1 1 19 19 SER N N 19 120.877 120.877 115.021 5.856 17857 1167 1 3 . 1 1 19 19 SER HA H 19 4.124 4.124 4.009 0.115 17857 1168 1 3 . 1 1 19 19 SER C C 19 176.676 176.676 175.622 1.054 17857 1169 1 3 . 1 1 19 19 SER CA C 19 60.979 60.979 60.281 0.698 17857 1170 1 3 . 1 1 19 19 SER CB C 19 61.813 61.813 63.358 -1.545 17857 1171 1 3 . 1 1 19 19 SER H H 19 9.322 9.322 7.726 1.596 17857 1172 1 3 . 1 1 20 20 GLY N N 20 107.206 107.206 110.264 -3.058 17857 1173 1 3 . 1 1 20 20 GLY C C 20 174.913 174.913 173.318 1.595 17857 1174 1 3 . 1 1 20 20 GLY CA C 20 45.281 45.281 43.717 1.564 17857 1175 1 3 . 1 1 20 20 GLY H H 20 8.233 8.233 7.440 0.793 17857 1176 1 3 . 1 1 21 21 LYS N N 21 118.717 118.717 120.130 -1.413 17857 1177 1 3 . 1 1 21 21 LYS HA H 21 4.041 4.041 3.881 0.161 17857 1178 1 3 . 1 1 21 21 LYS C C 21 176.623 176.623 176.176 0.447 17857 1179 1 3 . 1 1 21 21 LYS CA C 21 58.185 58.185 58.497 -0.312 17857 1180 1 3 . 1 1 21 21 LYS CB C 21 33.157 33.157 30.957 2.200 17857 1181 1 3 . 1 1 21 21 LYS H H 21 7.333 7.333 8.425 -1.092 17857 1182 1 3 . 1 1 22 22 GLU N N 22 116.257 116.257 121.344 -5.087 17857 1183 1 3 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.365 0.076 17857 1184 1 3 . 1 1 22 22 GLU C C 22 175.554 175.554 176.402 -0.848 17857 1185 1 3 . 1 1 22 22 GLU CA C 22 55.488 55.488 56.273 -0.785 17857 1186 1 3 . 1 1 22 22 GLU CB C 22 31.892 31.892 30.409 1.483 17857 1187 1 3 . 1 1 22 22 GLU H H 22 7.603 7.603 8.341 -0.738 17857 1188 1 3 . 1 1 23 23 GLY N N 23 108.614 108.614 110.947 -2.333 17857 1189 1 3 . 1 1 23 23 GLY C C 23 173.976 173.976 173.650 0.326 17857 1190 1 3 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.459 1.565 17857 1191 1 3 . 1 1 23 23 GLY H H 23 8.261 8.261 8.292 -0.031 17857 1192 1 3 . 1 1 24 24 ASP N N 24 124.252 124.252 120.804 3.448 17857 1193 1 3 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.744 -0.185 17857 1194 1 3 . 1 1 24 24 ASP C C 24 177.376 177.376 177.096 0.280 17857 1195 1 3 . 1 1 24 24 ASP CA C 24 53.824 53.824 52.389 1.435 17857 1196 1 3 . 1 1 24 24 ASP CB C 24 42.692 42.692 42.300 0.392 17857 1197 1 3 . 1 1 24 24 ASP H H 24 8.313 8.313 8.220 0.093 17857 1198 1 3 . 1 1 25 25 LYS N N 25 125.006 125.006 118.196 6.810 17857 1199 1 3 . 1 1 25 25 LYS HA H 25 4.137 4.137 3.772 0.365 17857 1200 1 3 . 1 1 25 25 LYS C C 25 175.980 175.980 176.696 -0.716 17857 1201 1 3 . 1 1 25 25 LYS CA C 25 57.436 57.436 58.298 -0.862 17857 1202 1 3 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.510 -0.164 17857 1203 1 3 . 1 1 25 25 LYS H H 25 8.327 8.327 8.392 -0.065 17857 1204 1 3 . 1 1 26 26 TYR N N 26 117.300 117.300 113.126 4.174 17857 1205 1 3 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.678 0.408 17857 1206 1 3 . 1 1 26 26 TYR C C 26 175.592 175.592 174.465 1.127 17857 1207 1 3 . 1 1 26 26 TYR CA C 26 57.552 57.552 57.090 0.462 17857 1208 1 3 . 1 1 26 26 TYR CB C 26 38.052 38.052 40.545 -2.493 17857 1209 1 3 . 1 1 26 26 TYR H H 26 8.490 8.490 7.567 0.923 17857 1210 1 3 . 1 1 27 27 LYS N N 27 117.820 117.820 120.848 -3.028 17857 1211 1 3 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.825 0.678 17857 1212 1 3 . 1 1 27 27 LYS C C 27 174.259 174.259 174.824 -0.565 17857 1213 1 3 . 1 1 27 27 LYS CA C 27 54.094 54.094 55.060 -0.966 17857 1214 1 3 . 1 1 27 27 LYS CB C 27 37.626 37.626 34.112 3.514 17857 1215 1 3 . 1 1 27 27 LYS H H 27 7.793 7.793 7.634 0.159 17857 1216 1 3 . 1 1 28 28 LEU N N 28 120.282 120.282 124.336 -4.054 17857 1217 1 3 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.615 0.133 17857 1218 1 3 . 1 1 28 28 LEU C C 28 176.038 176.038 175.423 0.615 17857 1219 1 3 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.720 -0.678 17857 1220 1 3 . 1 1 28 28 LEU CB C 28 46.382 46.382 45.062 1.320 17857 1221 1 3 . 1 1 28 28 LEU H H 28 8.692 8.692 8.527 0.165 17857 1222 1 3 . 1 1 29 29 SER N N 29 119.669 119.669 116.502 3.167 17857 1223 1 3 . 1 1 29 29 SER HA H 29 5.121 5.121 4.836 0.285 17857 1224 1 3 . 1 1 29 29 SER C C 29 175.936 175.936 175.742 0.194 17857 1225 1 3 . 1 1 29 29 SER CA C 29 57.760 57.760 56.931 0.829 17857 1226 1 3 . 1 1 29 29 SER CB C 29 64.689 64.689 65.391 -0.702 17857 1227 1 3 . 1 1 29 29 SER H H 29 8.797 8.797 8.499 0.298 17857 1228 1 3 . 1 1 30 30 LYS N N 30 124.194 124.194 123.012 1.182 17857 1229 1 3 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.035 -0.174 17857 1230 1 3 . 1 1 30 30 LYS C C 30 178.523 178.523 177.868 0.655 17857 1231 1 3 . 1 1 30 30 LYS CA C 30 61.591 61.591 59.685 1.906 17857 1232 1 3 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.094 -0.090 17857 1233 1 3 . 1 1 30 30 LYS H H 30 8.842 8.842 8.913 -0.071 17857 1234 1 3 . 1 1 31 31 LYS N N 31 119.922 119.922 116.969 2.953 17857 1235 1 3 . 1 1 31 31 LYS HA H 31 4.157 4.157 4.045 0.112 17857 1236 1 3 . 1 1 31 31 LYS C C 31 179.293 179.293 179.083 0.210 17857 1237 1 3 . 1 1 31 31 LYS CA C 31 59.426 59.426 58.664 0.762 17857 1238 1 3 . 1 1 31 31 LYS CB C 31 32.586 32.586 31.230 1.356 17857 1239 1 3 . 1 1 31 31 LYS H H 31 8.786 8.786 8.258 0.528 17857 1240 1 3 . 1 1 32 32 GLN N N 32 119.859 119.859 118.207 1.652 17857 1241 1 3 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.182 -0.065 17857 1242 1 3 . 1 1 32 32 GLN C C 32 179.272 179.272 177.966 1.306 17857 1243 1 3 . 1 1 32 32 GLN CA C 32 58.178 58.178 57.510 0.668 17857 1244 1 3 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.462 0.358 17857 1245 1 3 . 1 1 32 32 GLN H H 32 7.769 7.769 7.935 -0.166 17857 1246 1 3 . 1 1 33 33 LEU N N 33 122.146 122.146 119.356 2.790 17857 1247 1 3 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.984 0.061 17857 1248 1 3 . 1 1 33 33 LEU C C 33 177.408 177.408 179.031 -1.623 17857 1249 1 3 . 1 1 33 33 LEU CA C 33 57.335 57.335 57.990 -0.656 17857 1250 1 3 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.636 -1.089 17857 1251 1 3 . 1 1 33 33 LEU H H 33 8.918 8.918 7.668 1.250 17857 1252 1 3 . 1 1 34 34 LYS N N 34 120.726 120.726 118.784 1.942 17857 1253 1 3 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.952 -0.326 17857 1254 1 3 . 1 1 34 34 LYS C C 34 177.675 177.675 178.815 -1.140 17857 1255 1 3 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.826 1.159 17857 1256 1 3 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.046 -0.046 17857 1257 1 3 . 1 1 34 34 LYS H H 34 8.423 8.423 7.559 0.864 17857 1258 1 3 . 1 1 35 35 GLU N N 35 116.999 116.999 119.201 -2.202 17857 1259 1 3 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.143 -0.073 17857 1260 1 3 . 1 1 35 35 GLU C C 35 179.003 179.003 178.917 0.086 17857 1261 1 3 . 1 1 35 35 GLU CA C 35 59.502 59.502 58.678 0.824 17857 1262 1 3 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.752 -0.357 17857 1263 1 3 . 1 1 35 35 GLU H H 35 7.186 7.186 7.638 -0.452 17857 1264 1 3 . 1 1 36 36 LEU N N 36 122.908 122.908 121.460 1.448 17857 1265 1 3 . 1 1 36 36 LEU HA H 36 3.713 3.713 3.818 -0.105 17857 1266 1 3 . 1 1 36 36 LEU C C 36 178.810 178.810 178.034 0.776 17857 1267 1 3 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.278 1.155 17857 1268 1 3 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.421 0.882 17857 1269 1 3 . 1 1 36 36 LEU H H 36 8.141 8.141 8.553 -0.412 17857 1270 1 3 . 1 1 37 37 LEU N N 37 119.746 119.746 118.030 1.716 17857 1271 1 3 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.748 -0.059 17857 1272 1 3 . 1 1 37 37 LEU C C 37 178.128 178.128 178.943 -0.815 17857 1273 1 3 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.053 0.363 17857 1274 1 3 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.411 0.112 17857 1275 1 3 . 1 1 37 37 LEU H H 37 8.772 8.772 7.440 1.332 17857 1276 1 3 . 1 1 38 38 GLN N N 38 113.312 113.312 116.982 -3.670 17857 1277 1 3 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.328 -0.561 17857 1278 1 3 . 1 1 38 38 GLN C C 38 177.536 177.536 178.822 -1.286 17857 1279 1 3 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.311 0.475 17857 1280 1 3 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.693 0.321 17857 1281 1 3 . 1 1 38 38 GLN H H 38 8.082 8.082 7.870 0.212 17857 1282 1 3 . 1 1 39 39 THR N N 39 109.779 109.779 114.787 -5.008 17857 1283 1 3 . 1 1 39 39 THR HA H 39 4.312 4.312 3.981 0.331 17857 1284 1 3 . 1 1 39 39 THR C C 39 176.802 176.802 175.870 0.932 17857 1285 1 3 . 1 1 39 39 THR CA C 39 64.576 64.576 65.736 -1.160 17857 1286 1 3 . 1 1 39 39 THR CB C 39 69.847 69.847 68.920 0.927 17857 1287 1 3 . 1 1 39 39 THR H H 39 7.683 7.683 8.701 -1.018 17857 1288 1 3 . 1 1 40 40 GLU N N 40 118.440 118.440 118.239 0.201 17857 1289 1 3 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.464 0.252 17857 1290 1 3 . 1 1 40 40 GLU C C 40 177.106 177.106 177.590 -0.484 17857 1291 1 3 . 1 1 40 40 GLU CA C 40 56.922 56.922 57.028 -0.106 17857 1292 1 3 . 1 1 40 40 GLU CB C 40 30.262 30.262 31.081 -0.819 17857 1293 1 3 . 1 1 40 40 GLU H H 40 8.971 8.971 8.339 0.632 17857 1294 1 3 . 1 1 41 41 LEU N N 41 119.219 119.219 122.282 -3.063 17857 1295 1 3 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.671 0.457 17857 1296 1 3 . 1 1 41 41 LEU C C 41 177.669 177.669 176.145 1.524 17857 1297 1 3 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.433 -1.133 17857 1298 1 3 . 1 1 41 41 LEU CB C 41 42.208 42.208 41.126 1.082 17857 1299 1 3 . 1 1 41 41 LEU H H 41 7.733 7.733 8.589 -0.856 17857 1300 1 3 . 1 1 42 42 SER N N 42 112.897 112.897 118.258 -5.361 17857 1301 1 3 . 1 1 42 42 SER HA H 42 3.880 3.880 4.579 -0.699 17857 1302 1 3 . 1 1 42 42 SER C C 42 176.429 176.429 174.840 1.589 17857 1303 1 3 . 1 1 42 42 SER CA C 42 61.867 61.867 58.335 3.532 17857 1304 1 3 . 1 1 42 42 SER CB C 42 62.864 62.864 63.553 -0.689 17857 1305 1 3 . 1 1 42 42 SER H H 42 6.915 6.915 8.322 -1.407 17857 1306 1 3 . 1 1 43 43 GLY N N 43 114.357 114.357 109.932 4.425 17857 1307 1 3 . 1 1 43 43 GLY C C 43 178.051 178.051 175.108 2.943 17857 1308 1 3 . 1 1 43 43 GLY CA C 43 46.844 46.844 44.537 2.307 17857 1309 1 3 . 1 1 43 43 GLY H H 43 9.244 9.244 8.213 1.031 17857 1310 1 3 . 1 1 44 44 PHE N N 44 124.297 124.297 119.384 4.913 17857 1311 1 3 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.281 0.312 17857 1312 1 3 . 1 1 44 44 PHE C C 44 178.168 178.168 177.343 0.825 17857 1313 1 3 . 1 1 44 44 PHE CA C 44 57.510 57.510 59.791 -2.281 17857 1314 1 3 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.897 -2.754 17857 1315 1 3 . 1 1 44 44 PHE H H 44 8.273 8.273 8.024 0.249 17857 1316 1 3 . 1 1 45 45 LEU N N 45 116.097 116.097 115.707 0.390 17857 1317 1 3 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.235 -0.059 17857 1318 1 3 . 1 1 45 45 LEU C C 45 179.069 179.069 177.515 1.554 17857 1319 1 3 . 1 1 45 45 LEU CA C 45 57.580 57.580 56.820 0.760 17857 1320 1 3 . 1 1 45 45 LEU CB C 45 41.377 41.377 41.415 -0.038 17857 1321 1 3 . 1 1 45 45 LEU H H 45 8.559 8.559 7.983 0.576 17857 1322 1 3 . 1 1 46 46 ASP N N 46 119.849 119.849 120.835 -0.986 17857 1323 1 3 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.447 0.266 17857 1324 1 3 . 1 1 46 46 ASP C C 46 176.152 176.152 176.381 -0.229 17857 1325 1 3 . 1 1 46 46 ASP CA C 46 55.845 55.845 55.620 0.225 17857 1326 1 3 . 1 1 46 46 ASP CB C 46 41.640 41.640 40.904 0.737 17857 1327 1 3 . 1 1 46 46 ASP H H 46 7.707 7.707 8.239 -0.532 17857 1328 1 3 . 1 1 47 47 ALA N N 47 124.027 124.027 120.573 3.454 17857 1329 1 3 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.485 0.123 17857 1330 1 3 . 1 1 47 47 ALA C C 47 176.271 176.271 176.442 -0.171 17857 1331 1 3 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.554 -1.833 17857 1332 1 3 . 1 1 47 47 ALA CB C 47 18.985 18.985 20.409 -1.424 17857 1333 1 3 . 1 1 47 47 ALA H H 47 7.710 7.710 7.337 0.373 17857 1334 1 3 . 1 1 48 48 GLN N N 48 117.138 117.138 117.394 -0.256 17857 1335 1 3 . 1 1 48 48 GLN HA H 48 4.115 4.115 3.918 0.197 17857 1336 1 3 . 1 1 48 48 GLN C C 48 175.907 175.907 176.070 -0.163 17857 1337 1 3 . 1 1 48 48 GLN CA C 48 57.074 57.074 56.522 0.552 17857 1338 1 3 . 1 1 48 48 GLN CB C 48 30.504 30.504 26.053 4.451 17857 1339 1 3 . 1 1 48 48 GLN H H 48 7.562 7.562 8.073 -0.511 17857 1340 1 3 . 1 1 49 49 LYS N N 49 121.265 121.265 121.748 -0.483 17857 1341 1 3 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.107 0.042 17857 1342 1 3 . 1 1 49 49 LYS C C 49 176.157 176.157 177.019 -0.862 17857 1343 1 3 . 1 1 49 49 LYS CA C 49 56.337 56.337 58.043 -1.706 17857 1344 1 3 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.742 -1.511 17857 1345 1 3 . 1 1 49 49 LYS H H 49 7.974 7.974 8.532 -0.558 17857 1346 1 3 . 1 1 50 50 ASP N N 50 119.019 119.019 116.309 2.710 17857 1347 1 3 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.711 -0.029 17857 1348 1 3 . 1 1 50 50 ASP C C 50 175.466 175.466 175.899 -0.433 17857 1349 1 3 . 1 1 50 50 ASP CA C 50 51.810 51.810 52.648 -0.838 17857 1350 1 3 . 1 1 50 50 ASP CB C 50 39.955 39.955 42.832 -2.877 17857 1351 1 3 . 1 1 50 50 ASP H H 50 7.523 7.523 7.853 -0.330 17857 1352 1 3 . 1 1 51 51 VAL N N 51 121.906 121.906 117.499 4.407 17857 1353 1 3 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.214 -0.353 17857 1354 1 3 . 1 1 51 51 VAL C C 51 178.158 178.158 176.578 1.580 17857 1355 1 3 . 1 1 51 51 VAL CA C 51 64.804 64.804 63.806 0.998 17857 1356 1 3 . 1 1 51 51 VAL CB C 51 31.831 31.831 33.241 -1.410 17857 1357 1 3 . 1 1 51 51 VAL H H 51 7.618 7.618 8.203 -0.585 17857 1358 1 3 . 1 1 52 52 ASP N N 52 119.692 119.692 122.274 -2.582 17857 1359 1 3 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.258 0.101 17857 1360 1 3 . 1 1 52 52 ASP C C 52 178.427 178.427 178.026 0.401 17857 1361 1 3 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.964 -0.605 17857 1362 1 3 . 1 1 52 52 ASP CB C 52 40.921 40.921 40.165 0.756 17857 1363 1 3 . 1 1 52 52 ASP H H 52 8.081 8.081 8.683 -0.602 17857 1364 1 3 . 1 1 53 53 ALA N N 53 122.046 122.046 121.527 0.519 17857 1365 1 3 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.071 -0.051 17857 1366 1 3 . 1 1 53 53 ALA C C 53 180.602 180.602 179.262 1.340 17857 1367 1 3 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.721 0.008 17857 1368 1 3 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.382 0.485 17857 1369 1 3 . 1 1 53 53 ALA H H 53 7.538 7.538 8.463 -0.925 17857 1370 1 3 . 1 1 54 54 VAL N N 54 117.817 117.817 118.339 -0.522 17857 1371 1 3 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.661 -0.311 17857 1372 1 3 . 1 1 54 54 VAL C C 54 177.718 177.718 177.697 0.021 17857 1373 1 3 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.342 1.325 17857 1374 1 3 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.647 0.068 17857 1375 1 3 . 1 1 54 54 VAL H H 54 7.286 7.286 7.525 -0.239 17857 1376 1 3 . 1 1 55 55 ASP N N 55 119.601 119.601 120.395 -0.794 17857 1377 1 3 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.469 -0.182 17857 1378 1 3 . 1 1 55 55 ASP C C 55 178.508 178.508 178.067 0.441 17857 1379 1 3 . 1 1 55 55 ASP CA C 55 57.618 57.618 56.873 0.745 17857 1380 1 3 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.514 0.713 17857 1381 1 3 . 1 1 55 55 ASP H H 55 8.456 8.456 8.344 0.112 17857 1382 1 3 . 1 1 56 56 LYS N N 56 117.890 117.890 120.989 -3.099 17857 1383 1 3 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.905 0.030 17857 1384 1 3 . 1 1 56 56 LYS C C 56 179.509 179.509 178.702 0.807 17857 1385 1 3 . 1 1 56 56 LYS CA C 56 59.889 59.889 60.102 -0.213 17857 1386 1 3 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.399 0.121 17857 1387 1 3 . 1 1 56 56 LYS H H 56 7.921 7.921 7.721 0.200 17857 1388 1 3 . 1 1 57 57 VAL N N 57 119.196 119.196 119.844 -0.648 17857 1389 1 3 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.711 0.011 17857 1390 1 3 . 1 1 57 57 VAL C C 57 177.928 177.928 177.330 0.598 17857 1391 1 3 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.966 0.252 17857 1392 1 3 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.925 0.406 17857 1393 1 3 . 1 1 57 57 VAL H H 57 7.292 7.292 7.576 -0.284 17857 1394 1 3 . 1 1 58 58 MET N N 58 115.902 115.902 117.813 -1.911 17857 1395 1 3 . 1 1 58 58 MET HA H 58 4.128 4.128 4.141 -0.013 17857 1396 1 3 . 1 1 58 58 MET C C 58 178.952 178.952 177.724 1.228 17857 1397 1 3 . 1 1 58 58 MET CA C 58 57.582 57.582 58.175 -0.593 17857 1398 1 3 . 1 1 58 58 MET CB C 58 31.511 31.511 32.385 -0.874 17857 1399 1 3 . 1 1 58 58 MET H H 58 8.313 8.313 7.452 0.861 17857 1400 1 3 . 1 1 59 59 LYS N N 59 118.845 118.845 121.332 -2.487 17857 1401 1 3 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.999 0.073 17857 1402 1 3 . 1 1 59 59 LYS C C 59 179.149 179.149 179.280 -0.131 17857 1403 1 3 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.339 -0.179 17857 1404 1 3 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.425 0.120 17857 1405 1 3 . 1 1 59 59 LYS H H 59 8.563 8.563 8.342 0.221 17857 1406 1 3 . 1 1 60 60 GLU N N 60 119.868 119.868 118.781 1.087 17857 1407 1 3 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.157 -0.125 17857 1408 1 3 . 1 1 60 60 GLU C C 60 179.083 179.083 178.653 0.430 17857 1409 1 3 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.304 0.462 17857 1410 1 3 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.379 -0.622 17857 1411 1 3 . 1 1 60 60 GLU H H 60 7.467 7.467 8.423 -0.956 17857 1412 1 3 . 1 1 61 61 LEU N N 61 116.866 116.866 118.573 -1.707 17857 1413 1 3 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.073 -0.106 17857 1414 1 3 . 1 1 61 61 LEU C C 61 177.870 177.870 177.719 0.151 17857 1415 1 3 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.596 -0.345 17857 1416 1 3 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.996 -1.226 17857 1417 1 3 . 1 1 61 61 LEU H H 61 7.597 7.597 7.353 0.244 17857 1418 1 3 . 1 1 62 62 ASP N N 62 115.773 115.773 118.791 -3.018 17857 1419 1 3 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.371 0.116 17857 1420 1 3 . 1 1 62 62 ASP C C 62 178.871 178.871 178.363 0.508 17857 1421 1 3 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.549 -0.428 17857 1422 1 3 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.411 1.415 17857 1423 1 3 . 1 1 62 62 ASP H H 62 7.509 7.509 8.280 -0.771 17857 1424 1 3 . 1 1 63 63 GLU N N 63 119.120 119.120 119.292 -0.172 17857 1425 1 3 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.029 0.102 17857 1426 1 3 . 1 1 63 63 GLU C C 63 176.937 176.937 178.089 -1.152 17857 1427 1 3 . 1 1 63 63 GLU CA C 63 58.053 58.053 59.016 -0.963 17857 1428 1 3 . 1 1 63 63 GLU CB C 63 30.119 30.119 29.945 0.174 17857 1429 1 3 . 1 1 63 63 GLU H H 63 8.068 8.068 7.851 0.217 17857 1430 1 3 . 1 1 64 64 ASN N N 64 117.779 117.779 115.597 2.182 17857 1431 1 3 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.710 0.412 17857 1432 1 3 . 1 1 64 64 ASN C C 64 176.299 176.299 176.459 -0.160 17857 1433 1 3 . 1 1 64 64 ASN CA C 64 52.221 52.221 53.485 -1.264 17857 1434 1 3 . 1 1 64 64 ASN CB C 64 38.943 38.943 38.715 0.228 17857 1435 1 3 . 1 1 64 64 ASN H H 64 7.719 7.719 7.664 0.055 17857 1436 1 3 . 1 1 65 65 GLY N N 65 106.860 106.860 108.419 -1.559 17857 1437 1 3 . 1 1 65 65 GLY C C 65 174.113 174.113 174.637 -0.524 17857 1438 1 3 . 1 1 65 65 GLY CA C 65 47.965 47.965 46.252 1.713 17857 1439 1 3 . 1 1 65 65 GLY H H 65 7.705 7.705 8.619 -0.914 17857 1440 1 3 . 1 1 66 66 ASP N N 66 115.761 115.761 121.070 -5.309 17857 1441 1 3 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.505 0.332 17857 1442 1 3 . 1 1 66 66 ASP C C 66 177.865 177.865 177.015 0.850 17857 1443 1 3 . 1 1 66 66 ASP CA C 66 54.199 54.199 55.727 -1.528 17857 1444 1 3 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.295 -0.511 17857 1445 1 3 . 1 1 66 66 ASP H H 66 8.266 8.266 8.207 0.059 17857 1446 1 3 . 1 1 67 67 GLY N N 67 109.034 109.034 104.971 4.063 17857 1447 1 3 . 1 1 67 67 GLY C C 67 172.364 172.364 172.448 -0.084 17857 1448 1 3 . 1 1 67 67 GLY CA C 67 45.136 45.136 44.466 0.670 17857 1449 1 3 . 1 1 67 67 GLY H H 67 8.237 8.237 7.663 0.574 17857 1450 1 3 . 1 1 68 68 GLU N N 68 117.964 117.964 117.947 0.017 17857 1451 1 3 . 1 1 68 68 GLU HA H 68 5.169 5.169 4.085 1.084 17857 1452 1 3 . 1 1 68 68 GLU C C 68 176.201 176.201 175.402 0.799 17857 1453 1 3 . 1 1 68 68 GLU CA C 68 55.328 55.328 57.320 -1.992 17857 1454 1 3 . 1 1 68 68 GLU CB C 68 33.900 33.900 29.104 4.796 17857 1455 1 3 . 1 1 68 68 GLU H H 68 8.415 8.415 8.355 0.060 17857 1456 1 3 . 1 1 69 69 VAL N N 69 116.232 116.232 116.910 -0.678 17857 1457 1 3 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.613 0.288 17857 1458 1 3 . 1 1 69 69 VAL C C 69 174.378 174.378 174.852 -0.474 17857 1459 1 3 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.602 -0.051 17857 1460 1 3 . 1 1 69 69 VAL CB C 69 35.098 35.098 36.073 -0.975 17857 1461 1 3 . 1 1 69 69 VAL H H 69 9.134 9.134 8.823 0.311 17857 1462 1 3 . 1 1 70 70 ASP N N 70 121.337 121.337 122.297 -0.960 17857 1463 1 3 . 1 1 70 70 ASP HA H 70 5.531 5.531 5.053 0.478 17857 1464 1 3 . 1 1 70 70 ASP C C 70 176.081 176.081 177.158 -1.077 17857 1465 1 3 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.703 -1.388 17857 1466 1 3 . 1 1 70 70 ASP CB C 70 42.873 42.873 43.183 -0.310 17857 1467 1 3 . 1 1 70 70 ASP H H 70 8.233 8.233 8.105 0.128 17857 1468 1 3 . 1 1 71 71 PHE N N 71 119.131 119.131 122.690 -3.559 17857 1469 1 3 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.566 -0.117 17857 1470 1 3 . 1 1 71 71 PHE C C 71 176.693 176.693 176.384 0.309 17857 1471 1 3 . 1 1 71 71 PHE CA C 71 61.576 61.576 61.576 -0.000 17857 1472 1 3 . 1 1 71 71 PHE CB C 71 40.468 40.468 38.941 1.527 17857 1473 1 3 . 1 1 71 71 PHE H H 71 9.370 9.370 8.666 0.704 17857 1474 1 3 . 1 1 72 72 GLN N N 72 116.462 116.462 116.416 0.046 17857 1475 1 3 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.805 -0.367 17857 1476 1 3 . 1 1 72 72 GLN C C 72 177.396 177.396 178.430 -1.034 17857 1477 1 3 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.263 1.504 17857 1478 1 3 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.048 0.735 17857 1479 1 3 . 1 1 72 72 GLN H H 72 8.096 8.096 8.781 -0.685 17857 1480 1 3 . 1 1 73 73 GLU N N 73 119.541 119.541 119.592 -0.051 17857 1481 1 3 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.016 -0.029 17857 1482 1 3 . 1 1 73 73 GLU C C 73 178.861 178.861 178.601 0.260 17857 1483 1 3 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.644 0.635 17857 1484 1 3 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.555 0.751 17857 1485 1 3 . 1 1 73 73 GLU H H 73 8.139 8.139 7.691 0.448 17857 1486 1 3 . 1 1 74 74 TYR N N 74 122.065 122.065 121.762 0.303 17857 1487 1 3 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.104 0.218 17857 1488 1 3 . 1 1 74 74 TYR C C 74 175.562 175.562 177.184 -1.622 17857 1489 1 3 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.411 -1.084 17857 1490 1 3 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.476 -1.609 17857 1491 1 3 . 1 1 74 74 TYR H H 74 8.157 8.157 7.893 0.264 17857 1492 1 3 . 1 1 75 75 VAL N N 75 119.872 119.872 116.009 3.863 17857 1493 1 3 . 1 1 75 75 VAL HA H 75 2.670 2.670 3.018 -0.348 17857 1494 1 3 . 1 1 75 75 VAL C C 75 177.425 177.425 177.541 -0.116 17857 1495 1 3 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.706 1.295 17857 1496 1 3 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.729 -0.028 17857 1497 1 3 . 1 1 75 75 VAL H H 75 7.915 7.915 7.525 0.390 17857 1498 1 3 . 1 1 76 76 VAL N N 76 119.169 119.169 120.070 -0.901 17857 1499 1 3 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.497 -0.147 17857 1500 1 3 . 1 1 76 76 VAL C C 76 178.933 178.933 178.053 0.880 17857 1501 1 3 . 1 1 76 76 VAL CA C 76 66.800 66.800 66.188 0.612 17857 1502 1 3 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.098 0.502 17857 1503 1 3 . 1 1 76 76 VAL H H 76 7.545 7.545 7.044 0.501 17857 1504 1 3 . 1 1 77 77 LEU N N 77 121.356 121.356 119.777 1.579 17857 1505 1 3 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.800 0.379 17857 1506 1 3 . 1 1 77 77 LEU C C 77 179.226 179.226 179.222 0.004 17857 1507 1 3 . 1 1 77 77 LEU CA C 77 58.273 58.273 58.192 0.081 17857 1508 1 3 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.418 0.574 17857 1509 1 3 . 1 1 77 77 LEU H H 77 7.789 7.789 7.658 0.131 17857 1510 1 3 . 1 1 78 78 VAL N N 78 119.358 119.358 117.531 1.827 17857 1511 1 3 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.549 -0.096 17857 1512 1 3 . 1 1 78 78 VAL C C 78 180.653 180.653 177.154 3.499 17857 1513 1 3 . 1 1 78 78 VAL CA C 78 67.253 67.253 65.809 1.444 17857 1514 1 3 . 1 1 78 78 VAL CB C 78 31.392 31.392 30.925 0.467 17857 1515 1 3 . 1 1 78 78 VAL H H 78 8.350 8.350 7.783 0.567 17857 1516 1 3 . 1 1 79 79 ALA N N 79 125.018 125.018 119.747 5.271 17857 1517 1 3 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.099 -0.061 17857 1518 1 3 . 1 1 79 79 ALA C C 79 178.321 178.321 178.367 -0.046 17857 1519 1 3 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.785 2.296 17857 1520 1 3 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.185 0.104 17857 1521 1 3 . 1 1 79 79 ALA H H 79 9.009 9.009 7.303 1.706 17857 1522 1 3 . 1 1 80 80 ALA N N 80 121.933 121.933 123.515 -1.582 17857 1523 1 3 . 1 1 80 80 ALA HA H 80 4.003 4.003 4.027 -0.024 17857 1524 1 3 . 1 1 80 80 ALA C C 80 181.548 181.548 179.298 2.250 17857 1525 1 3 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.958 0.461 17857 1526 1 3 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.089 -0.420 17857 1527 1 3 . 1 1 80 80 ALA H H 80 8.311 8.311 7.200 1.111 17857 1528 1 3 . 1 1 81 81 LEU N N 81 117.563 117.563 114.801 2.762 17857 1529 1 3 . 1 1 81 81 LEU HA H 81 4.033 4.033 3.998 0.034 17857 1530 1 3 . 1 1 81 81 LEU C C 81 178.536 178.536 178.475 0.061 17857 1531 1 3 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.462 0.201 17857 1532 1 3 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.241 0.712 17857 1533 1 3 . 1 1 81 81 LEU H H 81 8.056 8.056 7.527 0.529 17857 1534 1 3 . 1 1 82 82 THR N N 82 117.473 117.473 117.223 0.250 17857 1535 1 3 . 1 1 82 82 THR HA H 82 3.669 3.669 3.221 0.448 17857 1536 1 3 . 1 1 82 82 THR C C 82 176.658 176.658 176.323 0.335 17857 1537 1 3 . 1 1 82 82 THR CA C 82 68.836 68.836 66.802 2.034 17857 1538 1 3 . 1 1 82 82 THR CB C 82 67.515 67.515 68.285 -0.770 17857 1539 1 3 . 1 1 82 82 THR H H 82 8.299 8.299 7.195 1.104 17857 1540 1 3 . 1 1 83 83 VAL N N 83 121.111 121.111 120.803 0.308 17857 1541 1 3 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.619 -0.493 17857 1542 1 3 . 1 1 83 83 VAL C C 83 176.323 176.323 177.324 -1.001 17857 1543 1 3 . 1 1 83 83 VAL CA C 83 65.247 65.247 66.171 -0.924 17857 1544 1 3 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.370 -0.348 17857 1545 1 3 . 1 1 83 83 VAL H H 83 7.953 7.953 7.651 0.302 17857 1546 1 3 . 1 1 84 84 ALA N N 84 117.068 117.068 121.097 -4.029 17857 1547 1 3 . 1 1 84 84 ALA HA H 84 4.573 4.573 4.006 0.567 17857 1548 1 3 . 1 1 84 84 ALA C C 84 177.919 177.919 177.978 -0.059 17857 1549 1 3 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.951 -0.931 17857 1550 1 3 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.422 2.521 17857 1551 1 3 . 1 1 84 84 ALA H H 84 7.105 7.105 7.483 -0.378 17857 1552 1 3 . 1 1 85 85 CYS N N 85 112.195 112.195 115.880 -3.685 17857 1553 1 3 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.669 -0.129 17857 1554 1 3 . 1 1 85 85 CYS C C 85 173.282 173.282 175.768 -2.486 17857 1555 1 3 . 1 1 85 85 CYS CA C 85 60.342 60.342 58.917 1.425 17857 1556 1 3 . 1 1 85 85 CYS CB C 85 32.440 32.440 27.597 4.843 17857 1557 1 3 . 1 1 85 85 CYS H H 85 7.371 7.371 7.627 -0.256 17857 1558 1 3 . 1 1 86 86 ASN N N 86 118.815 118.815 119.843 -1.028 17857 1559 1 3 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.417 0.080 17857 1560 1 3 . 1 1 86 86 ASN CA C 86 54.737 54.737 56.499 -1.762 17857 1561 1 3 . 1 1 86 86 ASN CB C 86 42.130 42.130 38.909 3.221 17857 1562 1 3 . 1 1 86 86 ASN H H 86 8.347 8.347 8.484 -0.137 17857 1563 1 3 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.630 -0.305 17857 1564 1 3 . 1 1 87 87 ASN C C 87 176.216 176.216 174.706 1.510 17857 1565 1 3 . 1 1 87 87 ASN CA C 87 56.570 56.570 53.933 2.637 17857 1566 1 3 . 1 1 87 87 ASN CB C 87 38.479 38.479 37.645 0.834 17857 1567 1 3 . 1 1 88 88 PHE N N 88 120.522 120.522 119.204 1.318 17857 1568 1 3 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.164 -0.067 17857 1569 1 3 . 1 1 88 88 PHE C C 88 176.803 176.803 175.866 0.937 17857 1570 1 3 . 1 1 88 88 PHE CA C 88 61.023 61.023 60.853 0.170 17857 1571 1 3 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.244 0.438 17857 1572 1 3 . 1 1 88 88 PHE H H 88 8.642 8.642 8.504 0.138 17857 1573 1 3 . 1 1 89 89 PHE N N 89 112.727 112.727 116.940 -4.213 17857 1574 1 3 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.391 -0.588 17857 1575 1 3 . 1 1 89 89 PHE C C 89 173.691 173.691 176.028 -2.337 17857 1576 1 3 . 1 1 89 89 PHE CA C 89 59.208 59.208 59.665 -0.457 17857 1577 1 3 . 1 1 89 89 PHE CB C 89 39.029 39.029 38.647 0.382 17857 1578 1 3 . 1 1 89 89 PHE H H 89 7.408 7.408 8.296 -0.888 17857 1579 1 3 . 1 1 90 90 TRP N N 90 118.731 118.731 121.094 -2.363 17857 1580 1 3 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.523 0.067 17857 1581 1 3 . 1 1 90 90 TRP C C 90 175.269 175.269 176.568 -1.299 17857 1582 1 3 . 1 1 90 90 TRP CA C 90 56.840 56.840 57.875 -1.035 17857 1583 1 3 . 1 1 90 90 TRP CB C 90 31.400 31.400 28.124 3.276 17857 1584 1 3 . 1 1 90 90 TRP H H 90 7.359 7.359 8.067 -0.708 17857 1585 1 3 . 1 1 91 91 GLU N N 91 121.302 121.302 123.612 -2.310 17857 1586 1 3 . 1 1 91 91 GLU HA H 91 4.342 4.342 3.940 0.402 17857 1587 1 3 . 1 1 91 91 GLU C C 91 176.081 176.081 177.295 -1.214 17857 1588 1 3 . 1 1 91 91 GLU CA C 91 56.857 56.857 58.152 -1.295 17857 1589 1 3 . 1 1 91 91 GLU CB C 91 30.548 30.548 29.855 0.693 17857 1590 1 3 . 1 1 91 91 GLU H H 91 7.766 7.766 8.528 -0.762 17857 1591 1 3 . 1 1 92 92 ASN N N 92 120.522 120.522 117.268 3.254 17857 1592 1 3 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.495 0.272 17857 1593 1 3 . 1 1 92 92 ASN C C 92 174.283 174.283 175.398 -1.115 17857 1594 1 3 . 1 1 92 92 ASN CA C 92 53.407 53.407 55.019 -1.612 17857 1595 1 3 . 1 1 92 92 ASN CB C 92 39.276 39.276 37.801 1.475 17857 1596 1 3 . 1 1 92 92 ASN H H 92 8.462 8.462 8.476 -0.014 17857 1597 1 4 . 1 1 2 2 SER N N 2 118.698 118.698 117.023 1.675 17857 1598 1 4 . 1 1 2 2 SER HA H 2 4.691 4.691 4.733 -0.042 17857 1599 1 4 . 1 1 2 2 SER C C 2 175.496 175.496 174.630 0.866 17857 1600 1 4 . 1 1 2 2 SER CA C 2 57.481 57.481 56.931 0.550 17857 1601 1 4 . 1 1 2 2 SER CB C 2 65.371 65.371 66.319 -0.948 17857 1602 1 4 . 1 1 2 2 SER H H 2 9.211 9.211 8.473 0.738 17857 1603 1 4 . 1 1 3 3 GLU N N 3 122.860 122.860 122.379 0.481 17857 1604 1 4 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.112 0.003 17857 1605 1 4 . 1 1 3 3 GLU C C 3 179.171 179.171 178.710 0.461 17857 1606 1 4 . 1 1 3 3 GLU CA C 3 60.757 60.757 58.927 1.830 17857 1607 1 4 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.885 -0.846 17857 1608 1 4 . 1 1 3 3 GLU H H 3 9.205 9.205 8.891 0.314 17857 1609 1 4 . 1 1 4 4 LEU N N 4 120.718 120.718 120.492 0.226 17857 1610 1 4 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.183 -0.147 17857 1611 1 4 . 1 1 4 4 LEU C C 4 178.360 178.360 178.422 -0.062 17857 1612 1 4 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.634 0.277 17857 1613 1 4 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.728 0.634 17857 1614 1 4 . 1 1 4 4 LEU H H 4 8.854 8.854 7.932 0.922 17857 1615 1 4 . 1 1 5 5 GLU N N 5 118.542 118.542 118.181 0.361 17857 1616 1 4 . 1 1 5 5 GLU HA H 5 3.255 3.255 4.020 -0.765 17857 1617 1 4 . 1 1 5 5 GLU C C 5 179.204 179.204 179.166 0.038 17857 1618 1 4 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.656 0.161 17857 1619 1 4 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.421 -0.218 17857 1620 1 4 . 1 1 5 5 GLU H H 5 7.791 7.791 8.494 -0.703 17857 1621 1 4 . 1 1 6 6 THR N N 6 115.783 115.783 113.593 2.190 17857 1622 1 4 . 1 1 6 6 THR HA H 6 4.017 4.017 4.195 -0.178 17857 1623 1 4 . 1 1 6 6 THR C C 6 176.807 176.807 175.860 0.947 17857 1624 1 4 . 1 1 6 6 THR CA C 6 66.668 66.668 63.971 2.697 17857 1625 1 4 . 1 1 6 6 THR CB C 6 68.763 68.763 68.774 -0.011 17857 1626 1 4 . 1 1 6 6 THR H H 6 8.371 8.371 8.214 0.157 17857 1627 1 4 . 1 1 7 7 ALA N N 7 125.707 125.707 124.910 0.797 17857 1628 1 4 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.037 0.235 17857 1629 1 4 . 1 1 7 7 ALA C C 7 179.856 179.856 179.705 0.151 17857 1630 1 4 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.126 0.576 17857 1631 1 4 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.322 -0.092 17857 1632 1 4 . 1 1 7 7 ALA H H 7 8.267 8.267 7.476 0.791 17857 1633 1 4 . 1 1 8 8 MET N N 8 115.222 115.222 115.637 -0.415 17857 1634 1 4 . 1 1 8 8 MET HA H 8 4.858 4.858 4.414 0.444 17857 1635 1 4 . 1 1 8 8 MET C C 8 179.635 179.635 178.625 1.010 17857 1636 1 4 . 1 1 8 8 MET CA C 8 56.669 56.669 56.549 0.120 17857 1637 1 4 . 1 1 8 8 MET CB C 8 29.136 29.136 31.312 -2.176 17857 1638 1 4 . 1 1 8 8 MET H H 8 8.106 8.106 7.678 0.428 17857 1639 1 4 . 1 1 9 9 GLU N N 9 120.456 120.456 118.212 2.244 17857 1640 1 4 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.179 -0.064 17857 1641 1 4 . 1 1 9 9 GLU C C 9 179.531 179.531 179.098 0.433 17857 1642 1 4 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.238 1.393 17857 1643 1 4 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.012 -0.035 17857 1644 1 4 . 1 1 9 9 GLU H H 9 8.658 8.658 8.027 0.631 17857 1645 1 4 . 1 1 10 10 THR N N 10 118.547 118.547 116.679 1.868 17857 1646 1 4 . 1 1 10 10 THR HA H 10 4.116 4.116 4.256 -0.140 17857 1647 1 4 . 1 1 10 10 THR C C 10 175.942 175.942 176.273 -0.331 17857 1648 1 4 . 1 1 10 10 THR CA C 10 67.521 67.521 66.118 1.403 17857 1649 1 4 . 1 1 10 10 THR CB C 10 67.933 67.933 68.941 -1.008 17857 1650 1 4 . 1 1 10 10 THR H H 10 8.417 8.417 7.579 0.838 17857 1651 1 4 . 1 1 11 11 LEU N N 11 121.715 121.715 123.008 -1.293 17857 1652 1 4 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.258 -0.191 17857 1653 1 4 . 1 1 11 11 LEU C C 11 181.784 181.784 179.384 2.400 17857 1654 1 4 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.419 2.024 17857 1655 1 4 . 1 1 11 11 LEU CB C 11 41.993 41.993 41.974 0.019 17857 1656 1 4 . 1 1 11 11 LEU H H 11 8.324 8.324 7.572 0.752 17857 1657 1 4 . 1 1 12 12 ILE N N 12 121.081 121.081 119.693 1.388 17857 1658 1 4 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.857 -0.293 17857 1659 1 4 . 1 1 12 12 ILE C C 12 176.221 176.221 177.387 -1.166 17857 1660 1 4 . 1 1 12 12 ILE CA C 12 66.178 66.178 63.932 2.246 17857 1661 1 4 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.050 1.345 17857 1662 1 4 . 1 1 12 12 ILE H H 12 8.419 8.419 8.595 -0.176 17857 1663 1 4 . 1 1 13 13 ASN N N 13 120.254 120.254 118.530 1.724 17857 1664 1 4 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.487 -0.117 17857 1665 1 4 . 1 1 13 13 ASN C C 13 179.124 179.124 177.709 1.415 17857 1666 1 4 . 1 1 13 13 ASN CA C 13 56.615 56.615 55.932 0.683 17857 1667 1 4 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.527 -0.372 17857 1668 1 4 . 1 1 13 13 ASN H H 13 8.593 8.593 7.835 0.758 17857 1669 1 4 . 1 1 14 14 VAL N N 14 121.599 121.599 119.260 2.339 17857 1670 1 4 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.528 0.328 17857 1671 1 4 . 1 1 14 14 VAL C C 14 177.155 177.155 176.950 0.205 17857 1672 1 4 . 1 1 14 14 VAL CA C 14 66.705 66.705 65.016 1.689 17857 1673 1 4 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.485 0.399 17857 1674 1 4 . 1 1 14 14 VAL H H 14 8.838 8.838 7.450 1.388 17857 1675 1 4 . 1 1 15 15 PHE N N 15 120.139 120.139 122.311 -2.172 17857 1676 1 4 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.855 -0.256 17857 1677 1 4 . 1 1 15 15 PHE C C 15 177.601 177.601 176.602 0.999 17857 1678 1 4 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.162 0.237 17857 1679 1 4 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.170 0.462 17857 1680 1 4 . 1 1 15 15 PHE H H 15 7.456 7.456 8.411 -0.955 17857 1681 1 4 . 1 1 16 16 HIS N N 16 118.175 118.175 116.242 1.933 17857 1682 1 4 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.231 0.912 17857 1683 1 4 . 1 1 16 16 HIS C C 16 177.972 177.972 177.136 0.836 17857 1684 1 4 . 1 1 16 16 HIS CA C 16 55.795 55.795 57.310 -1.516 17857 1685 1 4 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.591 1.736 17857 1686 1 4 . 1 1 16 16 HIS H H 16 9.137 9.137 8.334 0.803 17857 1687 1 4 . 1 1 17 17 ALA N N 17 121.734 121.734 123.062 -1.328 17857 1688 1 4 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.044 -0.224 17857 1689 1 4 . 1 1 17 17 ALA C C 17 178.713 178.713 179.199 -0.486 17857 1690 1 4 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.622 -0.005 17857 1691 1 4 . 1 1 17 17 ALA CB C 17 17.700 17.700 17.655 0.045 17857 1692 1 4 . 1 1 17 17 ALA H H 17 8.133 8.133 7.047 1.086 17857 1693 1 4 . 1 1 18 18 HIS N N 18 113.408 113.408 115.918 -2.510 17857 1694 1 4 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.559 -0.239 17857 1695 1 4 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.657 0.180 17857 1696 1 4 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.079 2.569 17857 1697 1 4 . 1 1 18 18 HIS H H 18 7.286 7.286 7.479 -0.193 17857 1698 1 4 . 1 1 19 19 SER N N 19 120.877 120.877 115.867 5.010 17857 1699 1 4 . 1 1 19 19 SER HA H 19 4.124 4.124 4.080 0.044 17857 1700 1 4 . 1 1 19 19 SER C C 19 176.676 176.676 176.106 0.570 17857 1701 1 4 . 1 1 19 19 SER CA C 19 60.979 60.979 61.246 -0.267 17857 1702 1 4 . 1 1 19 19 SER CB C 19 61.813 61.813 63.183 -1.370 17857 1703 1 4 . 1 1 19 19 SER H H 19 9.322 9.322 7.803 1.519 17857 1704 1 4 . 1 1 20 20 GLY N N 20 107.206 107.206 108.852 -1.646 17857 1705 1 4 . 1 1 20 20 GLY C C 20 174.913 174.913 173.998 0.915 17857 1706 1 4 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.180 0.101 17857 1707 1 4 . 1 1 20 20 GLY H H 20 8.233 8.233 8.112 0.121 17857 1708 1 4 . 1 1 21 21 LYS N N 21 118.717 118.717 120.836 -2.119 17857 1709 1 4 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.043 -0.002 17857 1710 1 4 . 1 1 21 21 LYS C C 21 176.623 176.623 176.145 0.478 17857 1711 1 4 . 1 1 21 21 LYS CA C 21 58.185 58.185 56.590 1.595 17857 1712 1 4 . 1 1 21 21 LYS CB C 21 33.157 33.157 33.091 0.066 17857 1713 1 4 . 1 1 21 21 LYS H H 21 7.333 7.333 7.165 0.168 17857 1714 1 4 . 1 1 22 22 GLU N N 22 116.257 116.257 121.504 -5.247 17857 1715 1 4 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.041 0.400 17857 1716 1 4 . 1 1 22 22 GLU C C 22 175.554 175.554 176.699 -1.145 17857 1717 1 4 . 1 1 22 22 GLU CA C 22 55.488 55.488 58.041 -2.553 17857 1718 1 4 . 1 1 22 22 GLU CB C 22 31.892 31.892 29.218 2.674 17857 1719 1 4 . 1 1 22 22 GLU H H 22 7.603 7.603 8.451 -0.848 17857 1720 1 4 . 1 1 23 23 GLY N N 23 108.614 108.614 114.532 -5.918 17857 1721 1 4 . 1 1 23 23 GLY C C 23 173.976 173.976 173.494 0.482 17857 1722 1 4 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.431 1.593 17857 1723 1 4 . 1 1 23 23 GLY H H 23 8.261 8.261 8.569 -0.308 17857 1724 1 4 . 1 1 24 24 ASP N N 24 124.252 124.252 123.576 0.676 17857 1725 1 4 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.631 -0.072 17857 1726 1 4 . 1 1 24 24 ASP C C 24 177.376 177.376 176.583 0.793 17857 1727 1 4 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.481 -0.657 17857 1728 1 4 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.106 1.586 17857 1729 1 4 . 1 1 24 24 ASP H H 24 8.313 8.313 8.458 -0.145 17857 1730 1 4 . 1 1 25 25 LYS N N 25 125.006 125.006 120.195 4.811 17857 1731 1 4 . 1 1 25 25 LYS HA H 25 4.137 4.137 3.935 0.202 17857 1732 1 4 . 1 1 25 25 LYS C C 25 175.980 175.980 176.601 -0.621 17857 1733 1 4 . 1 1 25 25 LYS CA C 25 57.436 57.436 58.392 -0.956 17857 1734 1 4 . 1 1 25 25 LYS CB C 25 32.345 32.345 33.034 -0.689 17857 1735 1 4 . 1 1 25 25 LYS H H 25 8.327 8.327 8.644 -0.317 17857 1736 1 4 . 1 1 26 26 TYR N N 26 117.300 117.300 115.935 1.365 17857 1737 1 4 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.676 0.410 17857 1738 1 4 . 1 1 26 26 TYR C C 26 175.592 175.592 174.700 0.892 17857 1739 1 4 . 1 1 26 26 TYR CA C 26 57.552 57.552 57.172 0.380 17857 1740 1 4 . 1 1 26 26 TYR CB C 26 38.052 38.052 39.255 -1.204 17857 1741 1 4 . 1 1 26 26 TYR H H 26 8.490 8.490 8.045 0.445 17857 1742 1 4 . 1 1 27 27 LYS N N 27 117.820 117.820 119.834 -2.014 17857 1743 1 4 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.785 0.718 17857 1744 1 4 . 1 1 27 27 LYS C C 27 174.259 174.259 174.785 -0.526 17857 1745 1 4 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.632 -0.538 17857 1746 1 4 . 1 1 27 27 LYS CB C 27 37.626 37.626 35.501 2.125 17857 1747 1 4 . 1 1 27 27 LYS H H 27 7.793 7.793 7.565 0.228 17857 1748 1 4 . 1 1 28 28 LEU N N 28 120.282 120.282 125.098 -4.816 17857 1749 1 4 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.567 0.181 17857 1750 1 4 . 1 1 28 28 LEU C C 28 176.038 176.038 175.622 0.416 17857 1751 1 4 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.364 -0.321 17857 1752 1 4 . 1 1 28 28 LEU CB C 28 46.382 46.382 44.511 1.871 17857 1753 1 4 . 1 1 28 28 LEU H H 28 8.692 8.692 8.400 0.292 17857 1754 1 4 . 1 1 29 29 SER N N 29 119.669 119.669 120.206 -0.537 17857 1755 1 4 . 1 1 29 29 SER HA H 29 5.121 5.121 4.565 0.556 17857 1756 1 4 . 1 1 29 29 SER C C 29 175.936 175.936 175.326 0.610 17857 1757 1 4 . 1 1 29 29 SER CA C 29 57.760 57.760 57.887 -0.127 17857 1758 1 4 . 1 1 29 29 SER CB C 29 64.689 64.689 64.671 0.018 17857 1759 1 4 . 1 1 29 29 SER H H 29 8.797 8.797 8.516 0.281 17857 1760 1 4 . 1 1 30 30 LYS N N 30 124.194 124.194 121.659 2.535 17857 1761 1 4 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.208 -0.347 17857 1762 1 4 . 1 1 30 30 LYS C C 30 178.523 178.523 178.572 -0.049 17857 1763 1 4 . 1 1 30 30 LYS CA C 30 61.591 61.591 59.454 2.137 17857 1764 1 4 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.513 -0.509 17857 1765 1 4 . 1 1 30 30 LYS H H 30 8.842 8.842 8.098 0.744 17857 1766 1 4 . 1 1 31 31 LYS N N 31 119.922 119.922 119.575 0.347 17857 1767 1 4 . 1 1 31 31 LYS HA H 31 4.157 4.157 3.928 0.229 17857 1768 1 4 . 1 1 31 31 LYS C C 31 179.293 179.293 179.431 -0.138 17857 1769 1 4 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.567 -0.141 17857 1770 1 4 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.024 0.562 17857 1771 1 4 . 1 1 31 31 LYS H H 31 8.786 8.786 8.307 0.479 17857 1772 1 4 . 1 1 32 32 GLN N N 32 119.859 119.859 117.570 2.289 17857 1773 1 4 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.194 -0.077 17857 1774 1 4 . 1 1 32 32 GLN C C 32 179.272 179.272 178.223 1.049 17857 1775 1 4 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.155 0.023 17857 1776 1 4 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.570 0.250 17857 1777 1 4 . 1 1 32 32 GLN H H 32 7.769 7.769 7.586 0.183 17857 1778 1 4 . 1 1 33 33 LEU N N 33 122.146 122.146 122.140 0.006 17857 1779 1 4 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.913 0.132 17857 1780 1 4 . 1 1 33 33 LEU C C 33 177.408 177.408 178.199 -0.791 17857 1781 1 4 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.871 -1.536 17857 1782 1 4 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.686 -1.139 17857 1783 1 4 . 1 1 33 33 LEU H H 33 8.918 8.918 7.411 1.507 17857 1784 1 4 . 1 1 34 34 LYS N N 34 120.726 120.726 118.019 2.707 17857 1785 1 4 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.951 -0.325 17857 1786 1 4 . 1 1 34 34 LYS C C 34 177.675 177.675 179.050 -1.375 17857 1787 1 4 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.477 1.508 17857 1788 1 4 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.128 -0.128 17857 1789 1 4 . 1 1 34 34 LYS H H 34 8.423 8.423 7.598 0.825 17857 1790 1 4 . 1 1 35 35 GLU N N 35 116.999 116.999 119.236 -2.237 17857 1791 1 4 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.091 -0.021 17857 1792 1 4 . 1 1 35 35 GLU C C 35 179.003 179.003 178.348 0.655 17857 1793 1 4 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.054 0.448 17857 1794 1 4 . 1 1 35 35 GLU CB C 35 29.395 29.395 30.008 -0.613 17857 1795 1 4 . 1 1 35 35 GLU H H 35 7.186 7.186 7.374 -0.188 17857 1796 1 4 . 1 1 36 36 LEU N N 36 122.908 122.908 117.148 5.760 17857 1797 1 4 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.273 -0.560 17857 1798 1 4 . 1 1 36 36 LEU C C 36 178.810 178.810 178.546 0.264 17857 1799 1 4 . 1 1 36 36 LEU CA C 36 59.433 59.433 57.457 1.976 17857 1800 1 4 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.373 0.930 17857 1801 1 4 . 1 1 36 36 LEU H H 36 8.141 8.141 8.283 -0.142 17857 1802 1 4 . 1 1 37 37 LEU N N 37 119.746 119.746 121.195 -1.449 17857 1803 1 4 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.822 -0.133 17857 1804 1 4 . 1 1 37 37 LEU C C 37 178.128 178.128 179.154 -1.026 17857 1805 1 4 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.902 -0.486 17857 1806 1 4 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.592 -0.069 17857 1807 1 4 . 1 1 37 37 LEU H H 37 8.772 8.772 8.581 0.191 17857 1808 1 4 . 1 1 38 38 GLN N N 38 113.312 113.312 117.172 -3.860 17857 1809 1 4 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.087 -0.320 17857 1810 1 4 . 1 1 38 38 GLN C C 38 177.536 177.536 178.102 -0.566 17857 1811 1 4 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.509 0.277 17857 1812 1 4 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.668 0.346 17857 1813 1 4 . 1 1 38 38 GLN H H 38 8.082 8.082 7.844 0.238 17857 1814 1 4 . 1 1 39 39 THR N N 39 109.779 109.779 114.718 -4.939 17857 1815 1 4 . 1 1 39 39 THR HA H 39 4.312 4.312 4.077 0.235 17857 1816 1 4 . 1 1 39 39 THR C C 39 176.802 176.802 176.046 0.756 17857 1817 1 4 . 1 1 39 39 THR CA C 39 64.576 64.576 65.048 -0.472 17857 1818 1 4 . 1 1 39 39 THR CB C 39 69.847 69.847 68.839 1.008 17857 1819 1 4 . 1 1 39 39 THR H H 39 7.683 7.683 7.613 0.070 17857 1820 1 4 . 1 1 40 40 GLU N N 40 118.440 118.440 119.331 -0.891 17857 1821 1 4 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.296 0.420 17857 1822 1 4 . 1 1 40 40 GLU C C 40 177.106 177.106 177.730 -0.624 17857 1823 1 4 . 1 1 40 40 GLU CA C 40 56.922 56.922 58.005 -1.083 17857 1824 1 4 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.188 0.074 17857 1825 1 4 . 1 1 40 40 GLU H H 40 8.971 8.971 8.284 0.687 17857 1826 1 4 . 1 1 41 41 LEU N N 41 119.219 119.219 120.323 -1.104 17857 1827 1 4 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.385 0.743 17857 1828 1 4 . 1 1 41 41 LEU C C 41 177.669 177.669 177.390 0.279 17857 1829 1 4 . 1 1 41 41 LEU CA C 41 53.300 53.300 55.352 -2.052 17857 1830 1 4 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.969 -0.761 17857 1831 1 4 . 1 1 41 41 LEU H H 41 7.733 7.733 8.107 -0.374 17857 1832 1 4 . 1 1 42 42 SER N N 42 112.897 112.897 111.239 1.658 17857 1833 1 4 . 1 1 42 42 SER HA H 42 3.880 3.880 4.152 -0.272 17857 1834 1 4 . 1 1 42 42 SER C C 42 176.429 176.429 174.468 1.961 17857 1835 1 4 . 1 1 42 42 SER CA C 42 61.867 61.867 58.365 3.502 17857 1836 1 4 . 1 1 42 42 SER CB C 42 62.864 62.864 61.982 0.882 17857 1837 1 4 . 1 1 42 42 SER H H 42 6.915 6.915 8.643 -1.728 17857 1838 1 4 . 1 1 43 43 GLY N N 43 114.357 114.357 106.376 7.981 17857 1839 1 4 . 1 1 43 43 GLY C C 43 178.051 178.051 174.628 3.423 17857 1840 1 4 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.120 1.724 17857 1841 1 4 . 1 1 43 43 GLY H H 43 9.244 9.244 8.158 1.086 17857 1842 1 4 . 1 1 44 44 PHE N N 44 124.297 124.297 120.145 4.152 17857 1843 1 4 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.223 0.370 17857 1844 1 4 . 1 1 44 44 PHE C C 44 178.168 178.168 176.761 1.407 17857 1845 1 4 . 1 1 44 44 PHE CA C 44 57.510 57.510 60.022 -2.512 17857 1846 1 4 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.423 -2.280 17857 1847 1 4 . 1 1 44 44 PHE H H 44 8.273 8.273 7.907 0.366 17857 1848 1 4 . 1 1 45 45 LEU N N 45 116.097 116.097 114.005 2.092 17857 1849 1 4 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.420 -0.244 17857 1850 1 4 . 1 1 45 45 LEU C C 45 179.069 179.069 178.345 0.724 17857 1851 1 4 . 1 1 45 45 LEU CA C 45 57.580 57.580 56.911 0.669 17857 1852 1 4 . 1 1 45 45 LEU CB C 45 41.377 41.377 41.542 -0.165 17857 1853 1 4 . 1 1 45 45 LEU H H 45 8.559 8.559 7.692 0.867 17857 1854 1 4 . 1 1 46 46 ASP N N 46 119.849 119.849 121.767 -1.918 17857 1855 1 4 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.505 0.208 17857 1856 1 4 . 1 1 46 46 ASP C C 46 176.152 176.152 175.651 0.501 17857 1857 1 4 . 1 1 46 46 ASP CA C 46 55.845 55.845 55.083 0.763 17857 1858 1 4 . 1 1 46 46 ASP CB C 46 41.640 41.640 40.358 1.282 17857 1859 1 4 . 1 1 46 46 ASP H H 46 7.707 7.707 8.462 -0.755 17857 1860 1 4 . 1 1 47 47 ALA N N 47 124.027 124.027 121.511 2.516 17857 1861 1 4 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.575 0.033 17857 1862 1 4 . 1 1 47 47 ALA C C 47 176.271 176.271 176.045 0.226 17857 1863 1 4 . 1 1 47 47 ALA CA C 47 50.721 50.721 51.720 -0.999 17857 1864 1 4 . 1 1 47 47 ALA CB C 47 18.985 18.985 19.643 -0.658 17857 1865 1 4 . 1 1 47 47 ALA H H 47 7.710 7.710 7.121 0.589 17857 1866 1 4 . 1 1 48 48 GLN N N 48 117.138 117.138 119.061 -1.923 17857 1867 1 4 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.211 -0.096 17857 1868 1 4 . 1 1 48 48 GLN C C 48 175.907 175.907 175.873 0.034 17857 1869 1 4 . 1 1 48 48 GLN CA C 48 57.074 57.074 56.132 0.942 17857 1870 1 4 . 1 1 48 48 GLN CB C 48 30.504 30.504 28.903 1.601 17857 1871 1 4 . 1 1 48 48 GLN H H 48 7.562 7.562 7.733 -0.171 17857 1872 1 4 . 1 1 49 49 LYS N N 49 121.265 121.265 125.154 -3.889 17857 1873 1 4 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.366 -0.217 17857 1874 1 4 . 1 1 49 49 LYS C C 49 176.157 176.157 176.731 -0.574 17857 1875 1 4 . 1 1 49 49 LYS CA C 49 56.337 56.337 56.884 -0.547 17857 1876 1 4 . 1 1 49 49 LYS CB C 49 31.231 31.231 33.031 -1.800 17857 1877 1 4 . 1 1 49 49 LYS H H 49 7.974 7.974 8.636 -0.662 17857 1878 1 4 . 1 1 50 50 ASP N N 50 119.019 119.019 119.710 -0.691 17857 1879 1 4 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.577 0.105 17857 1880 1 4 . 1 1 50 50 ASP C C 50 175.466 175.466 175.845 -0.379 17857 1881 1 4 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.327 -2.517 17857 1882 1 4 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.813 -1.858 17857 1883 1 4 . 1 1 50 50 ASP H H 50 7.523 7.523 8.225 -0.702 17857 1884 1 4 . 1 1 51 51 VAL N N 51 121.906 121.906 118.999 2.907 17857 1885 1 4 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.302 -0.441 17857 1886 1 4 . 1 1 51 51 VAL C C 51 178.158 178.158 175.598 2.560 17857 1887 1 4 . 1 1 51 51 VAL CA C 51 64.804 64.804 63.316 1.488 17857 1888 1 4 . 1 1 51 51 VAL CB C 51 31.831 31.831 33.371 -1.540 17857 1889 1 4 . 1 1 51 51 VAL H H 51 7.618 7.618 8.185 -0.567 17857 1890 1 4 . 1 1 52 52 ASP N N 52 119.692 119.692 121.278 -1.586 17857 1891 1 4 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.380 -0.021 17857 1892 1 4 . 1 1 52 52 ASP C C 52 178.427 178.427 177.924 0.503 17857 1893 1 4 . 1 1 52 52 ASP CA C 52 57.359 57.359 56.797 0.562 17857 1894 1 4 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.132 1.790 17857 1895 1 4 . 1 1 52 52 ASP H H 52 8.081 8.081 8.296 -0.215 17857 1896 1 4 . 1 1 53 53 ALA N N 53 122.046 122.046 121.960 0.086 17857 1897 1 4 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.104 -0.084 17857 1898 1 4 . 1 1 53 53 ALA C C 53 180.602 180.602 179.597 1.005 17857 1899 1 4 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.671 0.059 17857 1900 1 4 . 1 1 53 53 ALA CB C 53 18.867 18.867 17.969 0.898 17857 1901 1 4 . 1 1 53 53 ALA H H 53 7.538 7.538 8.246 -0.708 17857 1902 1 4 . 1 1 54 54 VAL N N 54 117.817 117.817 116.271 1.546 17857 1903 1 4 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.794 -0.444 17857 1904 1 4 . 1 1 54 54 VAL C C 54 177.718 177.718 177.503 0.215 17857 1905 1 4 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.576 1.091 17857 1906 1 4 . 1 1 54 54 VAL CB C 54 31.715 31.715 30.973 0.743 17857 1907 1 4 . 1 1 54 54 VAL H H 54 7.286 7.286 7.874 -0.588 17857 1908 1 4 . 1 1 55 55 ASP N N 55 119.601 119.601 120.697 -1.096 17857 1909 1 4 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.506 -0.219 17857 1910 1 4 . 1 1 55 55 ASP C C 55 178.508 178.508 178.098 0.410 17857 1911 1 4 . 1 1 55 55 ASP CA C 55 57.618 57.618 56.640 0.978 17857 1912 1 4 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.840 0.387 17857 1913 1 4 . 1 1 55 55 ASP H H 55 8.456 8.456 7.962 0.494 17857 1914 1 4 . 1 1 56 56 LYS N N 56 117.890 117.890 120.494 -2.604 17857 1915 1 4 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.986 -0.051 17857 1916 1 4 . 1 1 56 56 LYS C C 56 179.509 179.509 178.793 0.716 17857 1917 1 4 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.147 0.742 17857 1918 1 4 . 1 1 56 56 LYS CB C 56 32.520 32.520 31.927 0.593 17857 1919 1 4 . 1 1 56 56 LYS H H 56 7.921 7.921 7.622 0.299 17857 1920 1 4 . 1 1 57 57 VAL N N 57 119.196 119.196 118.303 0.893 17857 1921 1 4 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.727 -0.005 17857 1922 1 4 . 1 1 57 57 VAL C C 57 177.928 177.928 177.802 0.126 17857 1923 1 4 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.499 0.720 17857 1924 1 4 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.525 0.806 17857 1925 1 4 . 1 1 57 57 VAL H H 57 7.292 7.292 7.475 -0.183 17857 1926 1 4 . 1 1 58 58 MET N N 58 115.902 115.902 117.705 -1.803 17857 1927 1 4 . 1 1 58 58 MET HA H 58 4.128 4.128 4.108 0.020 17857 1928 1 4 . 1 1 58 58 MET C C 58 178.952 178.952 178.039 0.913 17857 1929 1 4 . 1 1 58 58 MET CA C 58 57.582 57.582 58.819 -1.237 17857 1930 1 4 . 1 1 58 58 MET CB C 58 31.511 31.511 32.248 -0.737 17857 1931 1 4 . 1 1 58 58 MET H H 58 8.313 8.313 7.650 0.663 17857 1932 1 4 . 1 1 59 59 LYS N N 59 118.845 118.845 119.726 -0.881 17857 1933 1 4 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.927 0.145 17857 1934 1 4 . 1 1 59 59 LYS C C 59 179.149 179.149 179.008 0.141 17857 1935 1 4 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.440 -0.280 17857 1936 1 4 . 1 1 59 59 LYS CB C 59 32.545 32.545 31.423 1.122 17857 1937 1 4 . 1 1 59 59 LYS H H 59 8.563 8.563 8.136 0.427 17857 1938 1 4 . 1 1 60 60 GLU N N 60 119.868 119.868 118.835 1.033 17857 1939 1 4 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.037 -0.005 17857 1940 1 4 . 1 1 60 60 GLU C C 60 179.083 179.083 179.201 -0.118 17857 1941 1 4 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.352 0.414 17857 1942 1 4 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.180 -0.423 17857 1943 1 4 . 1 1 60 60 GLU H H 60 7.467 7.467 7.722 -0.255 17857 1944 1 4 . 1 1 61 61 LEU N N 61 116.866 116.866 118.602 -1.736 17857 1945 1 4 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.059 -0.092 17857 1946 1 4 . 1 1 61 61 LEU C C 61 177.870 177.870 177.853 0.017 17857 1947 1 4 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.581 -0.330 17857 1948 1 4 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.935 -1.165 17857 1949 1 4 . 1 1 61 61 LEU H H 61 7.597 7.597 7.169 0.428 17857 1950 1 4 . 1 1 62 62 ASP N N 62 115.773 115.773 116.860 -1.087 17857 1951 1 4 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.433 0.054 17857 1952 1 4 . 1 1 62 62 ASP C C 62 178.871 178.871 178.270 0.601 17857 1953 1 4 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.257 -0.136 17857 1954 1 4 . 1 1 62 62 ASP CB C 62 41.826 41.826 41.108 0.718 17857 1955 1 4 . 1 1 62 62 ASP H H 62 7.509 7.509 8.027 -0.518 17857 1956 1 4 . 1 1 63 63 GLU N N 63 119.120 119.120 118.767 0.353 17857 1957 1 4 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.118 0.013 17857 1958 1 4 . 1 1 63 63 GLU C C 63 176.937 176.937 177.234 -0.297 17857 1959 1 4 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.170 -0.117 17857 1960 1 4 . 1 1 63 63 GLU CB C 63 30.119 30.119 29.902 0.217 17857 1961 1 4 . 1 1 63 63 GLU H H 63 8.068 8.068 8.608 -0.540 17857 1962 1 4 . 1 1 64 64 ASN N N 64 117.779 117.779 115.675 2.104 17857 1963 1 4 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.797 0.325 17857 1964 1 4 . 1 1 64 64 ASN C C 64 176.299 176.299 175.801 0.498 17857 1965 1 4 . 1 1 64 64 ASN CA C 64 52.221 52.221 52.880 -0.659 17857 1966 1 4 . 1 1 64 64 ASN CB C 64 38.943 38.943 40.484 -1.541 17857 1967 1 4 . 1 1 64 64 ASN H H 64 7.719 7.719 7.626 0.093 17857 1968 1 4 . 1 1 65 65 GLY N N 65 106.860 106.860 107.726 -0.866 17857 1969 1 4 . 1 1 65 65 GLY C C 65 174.113 174.113 172.834 1.279 17857 1970 1 4 . 1 1 65 65 GLY CA C 65 47.965 47.965 45.625 2.340 17857 1971 1 4 . 1 1 65 65 GLY H H 65 7.705 7.705 8.703 -0.998 17857 1972 1 4 . 1 1 66 66 ASP N N 66 115.761 115.761 119.137 -3.376 17857 1973 1 4 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.825 0.012 17857 1974 1 4 . 1 1 66 66 ASP C C 66 177.865 177.865 175.088 2.777 17857 1975 1 4 . 1 1 66 66 ASP CA C 66 54.199 54.199 53.392 0.807 17857 1976 1 4 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.288 -0.505 17857 1977 1 4 . 1 1 66 66 ASP H H 66 8.266 8.266 8.118 0.148 17857 1978 1 4 . 1 1 67 67 GLY N N 67 109.034 109.034 109.446 -0.412 17857 1979 1 4 . 1 1 67 67 GLY C C 67 172.364 172.364 172.513 -0.149 17857 1980 1 4 . 1 1 67 67 GLY CA C 67 45.136 45.136 45.032 0.103 17857 1981 1 4 . 1 1 67 67 GLY H H 67 8.237 8.237 7.662 0.575 17857 1982 1 4 . 1 1 68 68 GLU N N 68 117.964 117.964 118.725 -0.761 17857 1983 1 4 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.051 0.118 17857 1984 1 4 . 1 1 68 68 GLU C C 68 176.201 176.201 175.610 0.591 17857 1985 1 4 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.161 0.167 17857 1986 1 4 . 1 1 68 68 GLU CB C 68 33.900 33.900 32.792 1.107 17857 1987 1 4 . 1 1 68 68 GLU H H 68 8.415 8.415 8.395 0.020 17857 1988 1 4 . 1 1 69 69 VAL N N 69 116.232 116.232 120.403 -4.171 17857 1989 1 4 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.463 0.438 17857 1990 1 4 . 1 1 69 69 VAL C C 69 174.378 174.378 174.553 -0.175 17857 1991 1 4 . 1 1 69 69 VAL CA C 69 59.551 59.551 60.575 -1.024 17857 1992 1 4 . 1 1 69 69 VAL CB C 69 35.098 35.098 34.848 0.250 17857 1993 1 4 . 1 1 69 69 VAL H H 69 9.134 9.134 8.741 0.393 17857 1994 1 4 . 1 1 70 70 ASP N N 70 121.337 121.337 123.155 -1.818 17857 1995 1 4 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.846 0.685 17857 1996 1 4 . 1 1 70 70 ASP C C 70 176.081 176.081 176.834 -0.753 17857 1997 1 4 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.953 -1.638 17857 1998 1 4 . 1 1 70 70 ASP CB C 70 42.873 42.873 43.506 -0.633 17857 1999 1 4 . 1 1 70 70 ASP H H 70 8.233 8.233 8.489 -0.256 17857 2000 1 4 . 1 1 71 71 PHE N N 71 119.131 119.131 120.601 -1.470 17857 2001 1 4 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.888 -0.439 17857 2002 1 4 . 1 1 71 71 PHE C C 71 176.693 176.693 176.935 -0.242 17857 2003 1 4 . 1 1 71 71 PHE CA C 71 61.576 61.576 61.700 -0.124 17857 2004 1 4 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.336 1.132 17857 2005 1 4 . 1 1 71 71 PHE H H 71 9.370 9.370 8.787 0.583 17857 2006 1 4 . 1 1 72 72 GLN N N 72 116.462 116.462 117.188 -0.726 17857 2007 1 4 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.891 -0.453 17857 2008 1 4 . 1 1 72 72 GLN C C 72 177.396 177.396 178.161 -0.765 17857 2009 1 4 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.451 1.316 17857 2010 1 4 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.540 0.244 17857 2011 1 4 . 1 1 72 72 GLN H H 72 8.096 8.096 8.548 -0.452 17857 2012 1 4 . 1 1 73 73 GLU N N 73 119.541 119.541 118.821 0.720 17857 2013 1 4 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.093 -0.106 17857 2014 1 4 . 1 1 73 73 GLU C C 73 178.861 178.861 178.730 0.131 17857 2015 1 4 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.680 0.599 17857 2016 1 4 . 1 1 73 73 GLU CB C 73 30.306 30.306 28.783 1.523 17857 2017 1 4 . 1 1 73 73 GLU H H 73 8.139 8.139 8.396 -0.257 17857 2018 1 4 . 1 1 74 74 TYR N N 74 122.065 122.065 121.409 0.656 17857 2019 1 4 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.294 0.028 17857 2020 1 4 . 1 1 74 74 TYR C C 74 175.562 175.562 177.103 -1.541 17857 2021 1 4 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.215 -0.888 17857 2022 1 4 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.750 -1.883 17857 2023 1 4 . 1 1 74 74 TYR H H 74 8.157 8.157 8.081 0.076 17857 2024 1 4 . 1 1 75 75 VAL N N 75 119.872 119.872 116.407 3.465 17857 2025 1 4 . 1 1 75 75 VAL HA H 75 2.670 2.670 3.067 -0.397 17857 2026 1 4 . 1 1 75 75 VAL C C 75 177.425 177.425 177.709 -0.284 17857 2027 1 4 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.496 1.505 17857 2028 1 4 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.202 0.499 17857 2029 1 4 . 1 1 75 75 VAL H H 75 7.915 7.915 7.551 0.364 17857 2030 1 4 . 1 1 76 76 VAL N N 76 119.169 119.169 120.419 -1.250 17857 2031 1 4 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.526 -0.176 17857 2032 1 4 . 1 1 76 76 VAL C C 76 178.933 178.933 178.273 0.660 17857 2033 1 4 . 1 1 76 76 VAL CA C 76 66.800 66.800 66.419 0.381 17857 2034 1 4 . 1 1 76 76 VAL CB C 76 31.600 31.600 30.919 0.681 17857 2035 1 4 . 1 1 76 76 VAL H H 76 7.545 7.545 7.234 0.311 17857 2036 1 4 . 1 1 77 77 LEU N N 77 121.356 121.356 119.506 1.850 17857 2037 1 4 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.845 0.334 17857 2038 1 4 . 1 1 77 77 LEU C C 77 179.226 179.226 179.070 0.156 17857 2039 1 4 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.909 0.364 17857 2040 1 4 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.445 0.547 17857 2041 1 4 . 1 1 77 77 LEU H H 77 7.789 7.789 7.195 0.594 17857 2042 1 4 . 1 1 78 78 VAL N N 78 119.358 119.358 118.130 1.228 17857 2043 1 4 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.547 -0.094 17857 2044 1 4 . 1 1 78 78 VAL C C 78 180.653 180.653 177.306 3.347 17857 2045 1 4 . 1 1 78 78 VAL CA C 78 67.253 67.253 65.983 1.270 17857 2046 1 4 . 1 1 78 78 VAL CB C 78 31.392 31.392 31.025 0.367 17857 2047 1 4 . 1 1 78 78 VAL H H 78 8.350 8.350 7.481 0.869 17857 2048 1 4 . 1 1 79 79 ALA N N 79 125.018 125.018 120.459 4.559 17857 2049 1 4 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.073 -0.035 17857 2050 1 4 . 1 1 79 79 ALA C C 79 178.321 178.321 178.616 -0.295 17857 2051 1 4 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.726 2.355 17857 2052 1 4 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.144 0.145 17857 2053 1 4 . 1 1 79 79 ALA H H 79 9.009 9.009 7.373 1.636 17857 2054 1 4 . 1 1 80 80 ALA N N 80 121.933 121.933 123.529 -1.596 17857 2055 1 4 . 1 1 80 80 ALA HA H 80 4.003 4.003 3.985 0.018 17857 2056 1 4 . 1 1 80 80 ALA C C 80 181.548 181.548 179.139 2.409 17857 2057 1 4 . 1 1 80 80 ALA CA C 80 55.419 55.419 55.108 0.311 17857 2058 1 4 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.074 -0.405 17857 2059 1 4 . 1 1 80 80 ALA H H 80 8.311 8.311 7.745 0.566 17857 2060 1 4 . 1 1 81 81 LEU N N 81 117.563 117.563 115.089 2.474 17857 2061 1 4 . 1 1 81 81 LEU HA H 81 4.033 4.033 3.971 0.062 17857 2062 1 4 . 1 1 81 81 LEU C C 81 178.536 178.536 178.498 0.038 17857 2063 1 4 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.268 0.395 17857 2064 1 4 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.053 0.900 17857 2065 1 4 . 1 1 81 81 LEU H H 81 8.056 8.056 7.470 0.586 17857 2066 1 4 . 1 1 82 82 THR N N 82 117.473 117.473 116.819 0.654 17857 2067 1 4 . 1 1 82 82 THR HA H 82 3.669 3.669 3.253 0.416 17857 2068 1 4 . 1 1 82 82 THR C C 82 176.658 176.658 176.283 0.375 17857 2069 1 4 . 1 1 82 82 THR CA C 82 68.836 68.836 66.533 2.303 17857 2070 1 4 . 1 1 82 82 THR CB C 82 67.515 67.515 68.386 -0.871 17857 2071 1 4 . 1 1 82 82 THR H H 82 8.299 8.299 7.214 1.085 17857 2072 1 4 . 1 1 83 83 VAL N N 83 121.111 121.111 120.809 0.302 17857 2073 1 4 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.542 -0.416 17857 2074 1 4 . 1 1 83 83 VAL C C 83 176.323 176.323 176.314 0.009 17857 2075 1 4 . 1 1 83 83 VAL CA C 83 65.247 65.247 66.086 -0.839 17857 2076 1 4 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.490 -0.468 17857 2077 1 4 . 1 1 83 83 VAL H H 83 7.953 7.953 7.742 0.211 17857 2078 1 4 . 1 1 84 84 ALA N N 84 117.068 117.068 119.789 -2.721 17857 2079 1 4 . 1 1 84 84 ALA HA H 84 4.573 4.573 3.919 0.654 17857 2080 1 4 . 1 1 84 84 ALA C C 84 177.919 177.919 178.231 -0.312 17857 2081 1 4 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.280 -0.260 17857 2082 1 4 . 1 1 84 84 ALA CB C 84 20.943 20.943 19.328 1.615 17857 2083 1 4 . 1 1 84 84 ALA H H 84 7.105 7.105 7.312 -0.207 17857 2084 1 4 . 1 1 85 85 CYS N N 85 112.195 112.195 113.008 -0.813 17857 2085 1 4 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.364 0.176 17857 2086 1 4 . 1 1 85 85 CYS C C 85 173.282 173.282 174.516 -1.234 17857 2087 1 4 . 1 1 85 85 CYS CA C 85 60.342 60.342 59.469 0.873 17857 2088 1 4 . 1 1 85 85 CYS CB C 85 32.440 32.440 28.270 4.170 17857 2089 1 4 . 1 1 85 85 CYS H H 85 7.371 7.371 7.341 0.030 17857 2090 1 4 . 1 1 86 86 ASN N N 86 118.815 118.815 120.268 -1.453 17857 2091 1 4 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.698 -0.201 17857 2092 1 4 . 1 1 86 86 ASN CA C 86 54.737 54.737 54.354 0.383 17857 2093 1 4 . 1 1 86 86 ASN CB C 86 42.130 42.130 39.282 2.848 17857 2094 1 4 . 1 1 86 86 ASN H H 86 8.347 8.347 7.770 0.577 17857 2095 1 4 . 1 1 87 87 ASN HA H 87 4.325 4.325 5.097 -0.772 17857 2096 1 4 . 1 1 87 87 ASN C C 87 176.216 176.216 174.847 1.369 17857 2097 1 4 . 1 1 87 87 ASN CA C 87 56.570 56.570 52.274 4.296 17857 2098 1 4 . 1 1 87 87 ASN CB C 87 38.479 38.479 38.588 -0.109 17857 2099 1 4 . 1 1 88 88 PHE N N 88 120.522 120.522 120.990 -0.468 17857 2100 1 4 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.330 -0.233 17857 2101 1 4 . 1 1 88 88 PHE C C 88 176.803 176.803 175.919 0.884 17857 2102 1 4 . 1 1 88 88 PHE CA C 88 61.023 61.023 61.413 -0.390 17857 2103 1 4 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.809 -0.128 17857 2104 1 4 . 1 1 88 88 PHE H H 88 8.642 8.642 8.473 0.169 17857 2105 1 4 . 1 1 89 89 PHE N N 89 112.727 112.727 115.898 -3.171 17857 2106 1 4 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.615 -0.812 17857 2107 1 4 . 1 1 89 89 PHE C C 89 173.691 173.691 175.729 -2.038 17857 2108 1 4 . 1 1 89 89 PHE CA C 89 59.208 59.208 57.919 1.289 17857 2109 1 4 . 1 1 89 89 PHE CB C 89 39.029 39.029 38.836 0.193 17857 2110 1 4 . 1 1 89 89 PHE H H 89 7.408 7.408 7.855 -0.447 17857 2111 1 4 . 1 1 90 90 TRP N N 90 118.731 118.731 120.374 -1.643 17857 2112 1 4 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.500 0.090 17857 2113 1 4 . 1 1 90 90 TRP C C 90 175.269 175.269 176.193 -0.924 17857 2114 1 4 . 1 1 90 90 TRP CA C 90 56.840 56.840 58.322 -1.482 17857 2115 1 4 . 1 1 90 90 TRP CB C 90 31.400 31.400 28.571 2.829 17857 2116 1 4 . 1 1 90 90 TRP H H 90 7.359 7.359 8.114 -0.755 17857 2117 1 4 . 1 1 91 91 GLU N N 91 121.302 121.302 119.420 1.882 17857 2118 1 4 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.020 0.322 17857 2119 1 4 . 1 1 91 91 GLU C C 91 176.081 176.081 176.481 -0.400 17857 2120 1 4 . 1 1 91 91 GLU CA C 91 56.857 56.857 57.089 -0.232 17857 2121 1 4 . 1 1 91 91 GLU CB C 91 30.548 30.548 29.924 0.624 17857 2122 1 4 . 1 1 91 91 GLU H H 91 7.766 7.766 7.613 0.153 17857 2123 1 4 . 1 1 92 92 ASN N N 92 120.522 120.522 119.680 0.842 17857 2124 1 4 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.380 0.387 17857 2125 1 4 . 1 1 92 92 ASN C C 92 174.283 174.283 175.500 -1.217 17857 2126 1 4 . 1 1 92 92 ASN CA C 92 53.407 53.407 54.726 -1.319 17857 2127 1 4 . 1 1 92 92 ASN CB C 92 39.276 39.276 38.397 0.879 17857 2128 1 4 . 1 1 92 92 ASN H H 92 8.462 8.462 8.666 -0.204 17857 2129 1 5 . 1 1 2 2 SER N N 2 118.698 118.698 117.079 1.619 17857 2130 1 5 . 1 1 2 2 SER HA H 2 4.691 4.691 4.529 0.162 17857 2131 1 5 . 1 1 2 2 SER C C 2 175.496 175.496 175.739 -0.243 17857 2132 1 5 . 1 1 2 2 SER CA C 2 57.481 57.481 57.259 0.222 17857 2133 1 5 . 1 1 2 2 SER CB C 2 65.371 65.371 64.607 0.764 17857 2134 1 5 . 1 1 2 2 SER H H 2 9.211 9.211 8.554 0.657 17857 2135 1 5 . 1 1 3 3 GLU N N 3 122.860 122.860 121.571 1.289 17857 2136 1 5 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.068 0.047 17857 2137 1 5 . 1 1 3 3 GLU C C 3 179.171 179.171 179.066 0.105 17857 2138 1 5 . 1 1 3 3 GLU CA C 3 60.757 60.757 59.150 1.607 17857 2139 1 5 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.616 -0.577 17857 2140 1 5 . 1 1 3 3 GLU H H 3 9.205 9.205 8.905 0.300 17857 2141 1 5 . 1 1 4 4 LEU N N 4 120.718 120.718 119.322 1.396 17857 2142 1 5 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.120 -0.084 17857 2143 1 5 . 1 1 4 4 LEU C C 4 178.360 178.360 178.150 0.210 17857 2144 1 5 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.446 0.465 17857 2145 1 5 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.801 0.561 17857 2146 1 5 . 1 1 4 4 LEU H H 4 8.854 8.854 8.085 0.769 17857 2147 1 5 . 1 1 5 5 GLU N N 5 118.542 118.542 118.743 -0.201 17857 2148 1 5 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.976 -0.721 17857 2149 1 5 . 1 1 5 5 GLU C C 5 179.204 179.204 178.749 0.455 17857 2150 1 5 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.623 0.195 17857 2151 1 5 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.496 -0.293 17857 2152 1 5 . 1 1 5 5 GLU H H 5 7.791 7.791 7.589 0.202 17857 2153 1 5 . 1 1 6 6 THR N N 6 115.783 115.783 114.376 1.407 17857 2154 1 5 . 1 1 6 6 THR HA H 6 4.017 4.017 4.124 -0.107 17857 2155 1 5 . 1 1 6 6 THR C C 6 176.807 176.807 176.031 0.776 17857 2156 1 5 . 1 1 6 6 THR CA C 6 66.668 66.668 64.560 2.108 17857 2157 1 5 . 1 1 6 6 THR CB C 6 68.763 68.763 68.721 0.042 17857 2158 1 5 . 1 1 6 6 THR H H 6 8.371 8.371 7.616 0.755 17857 2159 1 5 . 1 1 7 7 ALA N N 7 125.707 125.707 124.035 1.672 17857 2160 1 5 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.048 0.224 17857 2161 1 5 . 1 1 7 7 ALA C C 7 179.856 179.856 179.507 0.349 17857 2162 1 5 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.340 0.362 17857 2163 1 5 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.391 -0.161 17857 2164 1 5 . 1 1 7 7 ALA H H 7 8.267 8.267 7.666 0.601 17857 2165 1 5 . 1 1 8 8 MET N N 8 115.222 115.222 115.922 -0.700 17857 2166 1 5 . 1 1 8 8 MET HA H 8 4.858 4.858 4.457 0.401 17857 2167 1 5 . 1 1 8 8 MET C C 8 179.635 179.635 178.595 1.040 17857 2168 1 5 . 1 1 8 8 MET CA C 8 56.669 56.669 56.006 0.663 17857 2169 1 5 . 1 1 8 8 MET CB C 8 29.136 29.136 31.204 -2.068 17857 2170 1 5 . 1 1 8 8 MET H H 8 8.106 8.106 7.656 0.450 17857 2171 1 5 . 1 1 9 9 GLU N N 9 120.456 120.456 119.684 0.772 17857 2172 1 5 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.063 0.052 17857 2173 1 5 . 1 1 9 9 GLU C C 9 179.531 179.531 179.381 0.150 17857 2174 1 5 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.371 1.260 17857 2175 1 5 . 1 1 9 9 GLU CB C 9 28.977 28.977 28.915 0.062 17857 2176 1 5 . 1 1 9 9 GLU H H 9 8.658 8.658 7.759 0.899 17857 2177 1 5 . 1 1 10 10 THR N N 10 118.547 118.547 116.904 1.643 17857 2178 1 5 . 1 1 10 10 THR HA H 10 4.116 4.116 4.187 -0.071 17857 2179 1 5 . 1 1 10 10 THR C C 10 175.942 175.942 176.214 -0.272 17857 2180 1 5 . 1 1 10 10 THR CA C 10 67.521 67.521 66.299 1.222 17857 2181 1 5 . 1 1 10 10 THR CB C 10 67.933 67.933 68.706 -0.773 17857 2182 1 5 . 1 1 10 10 THR H H 10 8.417 8.417 7.742 0.675 17857 2183 1 5 . 1 1 11 11 LEU N N 11 121.715 121.715 122.895 -1.180 17857 2184 1 5 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.208 -0.141 17857 2185 1 5 . 1 1 11 11 LEU C C 11 181.784 181.784 179.042 2.742 17857 2186 1 5 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.714 1.729 17857 2187 1 5 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.131 -0.138 17857 2188 1 5 . 1 1 11 11 LEU H H 11 8.324 8.324 7.414 0.910 17857 2189 1 5 . 1 1 12 12 ILE N N 12 121.081 121.081 119.030 2.051 17857 2190 1 5 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.646 -0.082 17857 2191 1 5 . 1 1 12 12 ILE C C 12 176.221 176.221 177.165 -0.944 17857 2192 1 5 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.959 1.219 17857 2193 1 5 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.774 0.621 17857 2194 1 5 . 1 1 12 12 ILE H H 12 8.419 8.419 8.268 0.151 17857 2195 1 5 . 1 1 13 13 ASN N N 13 120.254 120.254 117.821 2.433 17857 2196 1 5 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.396 -0.026 17857 2197 1 5 . 1 1 13 13 ASN C C 13 179.124 179.124 177.764 1.360 17857 2198 1 5 . 1 1 13 13 ASN CA C 13 56.615 56.615 56.270 0.345 17857 2199 1 5 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.139 0.016 17857 2200 1 5 . 1 1 13 13 ASN H H 13 8.593 8.593 7.948 0.645 17857 2201 1 5 . 1 1 14 14 VAL N N 14 121.599 121.599 118.821 2.778 17857 2202 1 5 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.719 0.137 17857 2203 1 5 . 1 1 14 14 VAL C C 14 177.155 177.155 177.443 -0.288 17857 2204 1 5 . 1 1 14 14 VAL CA C 14 66.705 66.705 65.889 0.816 17857 2205 1 5 . 1 1 14 14 VAL CB C 14 31.884 31.884 32.101 -0.217 17857 2206 1 5 . 1 1 14 14 VAL H H 14 8.838 8.838 7.480 1.358 17857 2207 1 5 . 1 1 15 15 PHE N N 15 120.139 120.139 122.255 -2.116 17857 2208 1 5 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.980 -0.381 17857 2209 1 5 . 1 1 15 15 PHE C C 15 177.601 177.601 177.044 0.557 17857 2210 1 5 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.722 -0.323 17857 2211 1 5 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.500 0.132 17857 2212 1 5 . 1 1 15 15 PHE H H 15 7.456 7.456 7.946 -0.490 17857 2213 1 5 . 1 1 16 16 HIS N N 16 118.175 118.175 117.534 0.641 17857 2214 1 5 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.282 0.861 17857 2215 1 5 . 1 1 16 16 HIS C C 16 177.972 177.972 177.508 0.464 17857 2216 1 5 . 1 1 16 16 HIS CA C 16 55.795 55.795 59.197 -3.402 17857 2217 1 5 . 1 1 16 16 HIS CB C 16 30.327 30.327 29.749 0.578 17857 2218 1 5 . 1 1 16 16 HIS H H 16 9.137 9.137 9.069 0.068 17857 2219 1 5 . 1 1 17 17 ALA N N 17 121.734 121.734 120.779 0.955 17857 2220 1 5 . 1 1 17 17 ALA HA H 17 3.820 3.820 3.940 -0.120 17857 2221 1 5 . 1 1 17 17 ALA C C 17 178.713 178.713 178.227 0.486 17857 2222 1 5 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.268 0.349 17857 2223 1 5 . 1 1 17 17 ALA CB C 17 17.700 17.700 18.386 -0.686 17857 2224 1 5 . 1 1 17 17 ALA H H 17 8.133 8.133 7.387 0.746 17857 2225 1 5 . 1 1 18 18 HIS N N 18 113.408 113.408 114.831 -1.423 17857 2226 1 5 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.459 -0.139 17857 2227 1 5 . 1 1 18 18 HIS CA C 18 57.837 57.837 58.172 -0.335 17857 2228 1 5 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.245 2.403 17857 2229 1 5 . 1 1 18 18 HIS H H 18 7.286 7.286 7.675 -0.389 17857 2230 1 5 . 1 1 19 19 SER N N 19 120.877 120.877 113.607 7.270 17857 2231 1 5 . 1 1 19 19 SER HA H 19 4.124 4.124 4.141 -0.017 17857 2232 1 5 . 1 1 19 19 SER C C 19 176.676 176.676 175.441 1.235 17857 2233 1 5 . 1 1 19 19 SER CA C 19 60.979 60.979 60.218 0.762 17857 2234 1 5 . 1 1 19 19 SER CB C 19 61.813 61.813 63.565 -1.752 17857 2235 1 5 . 1 1 19 19 SER H H 19 9.322 9.322 7.975 1.347 17857 2236 1 5 . 1 1 20 20 GLY N N 20 107.206 107.206 109.997 -2.791 17857 2237 1 5 . 1 1 20 20 GLY C C 20 174.913 174.913 173.441 1.472 17857 2238 1 5 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.096 0.184 17857 2239 1 5 . 1 1 20 20 GLY H H 20 8.233 8.233 7.783 0.450 17857 2240 1 5 . 1 1 21 21 LYS N N 21 118.717 118.717 123.856 -5.139 17857 2241 1 5 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.446 -0.405 17857 2242 1 5 . 1 1 21 21 LYS C C 21 176.623 176.623 175.715 0.908 17857 2243 1 5 . 1 1 21 21 LYS CA C 21 58.185 58.185 56.283 1.902 17857 2244 1 5 . 1 1 21 21 LYS CB C 21 33.157 33.157 34.115 -0.958 17857 2245 1 5 . 1 1 21 21 LYS H H 21 7.333 7.333 7.732 -0.399 17857 2246 1 5 . 1 1 22 22 GLU N N 22 116.257 116.257 119.950 -3.693 17857 2247 1 5 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.497 -0.056 17857 2248 1 5 . 1 1 22 22 GLU C C 22 175.554 175.554 176.221 -0.667 17857 2249 1 5 . 1 1 22 22 GLU CA C 22 55.488 55.488 56.328 -0.840 17857 2250 1 5 . 1 1 22 22 GLU CB C 22 31.892 31.892 29.289 2.603 17857 2251 1 5 . 1 1 22 22 GLU H H 22 7.603 7.603 8.299 -0.696 17857 2252 1 5 . 1 1 23 23 GLY N N 23 108.614 108.614 110.748 -2.134 17857 2253 1 5 . 1 1 23 23 GLY C C 23 173.976 173.976 172.817 1.159 17857 2254 1 5 . 1 1 23 23 GLY CA C 23 46.024 46.024 45.357 0.667 17857 2255 1 5 . 1 1 23 23 GLY H H 23 8.261 8.261 8.040 0.221 17857 2256 1 5 . 1 1 24 24 ASP N N 24 124.252 124.252 122.254 1.998 17857 2257 1 5 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.618 -0.059 17857 2258 1 5 . 1 1 24 24 ASP C C 24 177.376 177.376 176.964 0.412 17857 2259 1 5 . 1 1 24 24 ASP CA C 24 53.824 53.824 53.818 0.006 17857 2260 1 5 . 1 1 24 24 ASP CB C 24 42.692 42.692 39.813 2.879 17857 2261 1 5 . 1 1 24 24 ASP H H 24 8.313 8.313 8.522 -0.209 17857 2262 1 5 . 1 1 25 25 LYS N N 25 125.006 125.006 120.126 4.880 17857 2263 1 5 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.118 0.019 17857 2264 1 5 . 1 1 25 25 LYS C C 25 175.980 175.980 176.137 -0.157 17857 2265 1 5 . 1 1 25 25 LYS CA C 25 57.436 57.436 57.773 -0.337 17857 2266 1 5 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.012 0.333 17857 2267 1 5 . 1 1 25 25 LYS H H 25 8.327 8.327 7.592 0.735 17857 2268 1 5 . 1 1 26 26 TYR N N 26 117.300 117.300 116.459 0.841 17857 2269 1 5 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.313 0.773 17857 2270 1 5 . 1 1 26 26 TYR C C 26 175.592 175.592 175.917 -0.325 17857 2271 1 5 . 1 1 26 26 TYR CA C 26 57.552 57.552 60.128 -2.576 17857 2272 1 5 . 1 1 26 26 TYR CB C 26 38.052 38.052 38.313 -0.261 17857 2273 1 5 . 1 1 26 26 TYR H H 26 8.490 8.490 7.909 0.581 17857 2274 1 5 . 1 1 27 27 LYS N N 27 117.820 117.820 114.437 3.383 17857 2275 1 5 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.963 0.540 17857 2276 1 5 . 1 1 27 27 LYS C C 27 174.259 174.259 174.218 0.041 17857 2277 1 5 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.550 -0.455 17857 2278 1 5 . 1 1 27 27 LYS CB C 27 37.626 37.626 37.097 0.529 17857 2279 1 5 . 1 1 27 27 LYS H H 27 7.793 7.793 7.483 0.310 17857 2280 1 5 . 1 1 28 28 LEU N N 28 120.282 120.282 119.499 0.783 17857 2281 1 5 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.683 0.065 17857 2282 1 5 . 1 1 28 28 LEU C C 28 176.038 176.038 174.990 1.048 17857 2283 1 5 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.294 -0.252 17857 2284 1 5 . 1 1 28 28 LEU CB C 28 46.382 46.382 46.411 -0.029 17857 2285 1 5 . 1 1 28 28 LEU H H 28 8.692 8.692 8.452 0.240 17857 2286 1 5 . 1 1 29 29 SER N N 29 119.669 119.669 117.763 1.906 17857 2287 1 5 . 1 1 29 29 SER HA H 29 5.121 5.121 4.878 0.243 17857 2288 1 5 . 1 1 29 29 SER C C 29 175.936 175.936 175.256 0.680 17857 2289 1 5 . 1 1 29 29 SER CA C 29 57.760 57.760 58.144 -0.384 17857 2290 1 5 . 1 1 29 29 SER CB C 29 64.689 64.689 64.494 0.195 17857 2291 1 5 . 1 1 29 29 SER H H 29 8.797 8.797 8.775 0.022 17857 2292 1 5 . 1 1 30 30 LYS N N 30 124.194 124.194 120.373 3.821 17857 2293 1 5 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.285 -0.424 17857 2294 1 5 . 1 1 30 30 LYS C C 30 178.523 178.523 178.725 -0.202 17857 2295 1 5 . 1 1 30 30 LYS CA C 30 61.591 61.591 58.948 2.643 17857 2296 1 5 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.612 -0.608 17857 2297 1 5 . 1 1 30 30 LYS H H 30 8.842 8.842 8.366 0.476 17857 2298 1 5 . 1 1 31 31 LYS N N 31 119.922 119.922 120.029 -0.107 17857 2299 1 5 . 1 1 31 31 LYS HA H 31 4.157 4.157 3.997 0.160 17857 2300 1 5 . 1 1 31 31 LYS C C 31 179.293 179.293 179.711 -0.418 17857 2301 1 5 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.427 -0.001 17857 2302 1 5 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.095 0.491 17857 2303 1 5 . 1 1 31 31 LYS H H 31 8.786 8.786 8.306 0.480 17857 2304 1 5 . 1 1 32 32 GLN N N 32 119.859 119.859 118.500 1.359 17857 2305 1 5 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.016 0.101 17857 2306 1 5 . 1 1 32 32 GLN C C 32 179.272 179.272 177.829 1.443 17857 2307 1 5 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.190 -0.012 17857 2308 1 5 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.394 0.426 17857 2309 1 5 . 1 1 32 32 GLN H H 32 7.769 7.769 7.641 0.128 17857 2310 1 5 . 1 1 33 33 LEU N N 33 122.146 122.146 120.008 2.138 17857 2311 1 5 . 1 1 33 33 LEU HA H 33 4.045 4.045 4.002 0.043 17857 2312 1 5 . 1 1 33 33 LEU C C 33 177.408 177.408 178.363 -0.955 17857 2313 1 5 . 1 1 33 33 LEU CA C 33 57.335 57.335 57.789 -0.454 17857 2314 1 5 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.869 -1.322 17857 2315 1 5 . 1 1 33 33 LEU H H 33 8.918 8.918 7.855 1.063 17857 2316 1 5 . 1 1 34 34 LYS N N 34 120.726 120.726 117.433 3.293 17857 2317 1 5 . 1 1 34 34 LYS HA H 34 3.626 3.626 4.052 -0.426 17857 2318 1 5 . 1 1 34 34 LYS C C 34 177.675 177.675 178.599 -0.924 17857 2319 1 5 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.385 1.600 17857 2320 1 5 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.068 -0.068 17857 2321 1 5 . 1 1 34 34 LYS H H 34 8.423 8.423 7.506 0.917 17857 2322 1 5 . 1 1 35 35 GLU N N 35 116.999 116.999 120.583 -3.584 17857 2323 1 5 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.090 -0.020 17857 2324 1 5 . 1 1 35 35 GLU C C 35 179.003 179.003 178.452 0.551 17857 2325 1 5 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.204 0.298 17857 2326 1 5 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.227 0.168 17857 2327 1 5 . 1 1 35 35 GLU H H 35 7.186 7.186 7.325 -0.139 17857 2328 1 5 . 1 1 36 36 LEU N N 36 122.908 122.908 117.789 5.119 17857 2329 1 5 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.258 -0.545 17857 2330 1 5 . 1 1 36 36 LEU C C 36 178.810 178.810 178.724 0.086 17857 2331 1 5 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.243 1.190 17857 2332 1 5 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.242 1.061 17857 2333 1 5 . 1 1 36 36 LEU H H 36 8.141 8.141 7.990 0.151 17857 2334 1 5 . 1 1 37 37 LEU N N 37 119.746 119.746 121.066 -1.320 17857 2335 1 5 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.854 -0.165 17857 2336 1 5 . 1 1 37 37 LEU C C 37 178.128 178.128 179.282 -1.154 17857 2337 1 5 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.656 -0.240 17857 2338 1 5 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.459 0.064 17857 2339 1 5 . 1 1 37 37 LEU H H 37 8.772 8.772 7.812 0.960 17857 2340 1 5 . 1 1 38 38 GLN N N 38 113.312 113.312 117.427 -4.115 17857 2341 1 5 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.088 -0.321 17857 2342 1 5 . 1 1 38 38 GLN C C 38 177.536 177.536 178.321 -0.785 17857 2343 1 5 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.628 0.158 17857 2344 1 5 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.765 0.249 17857 2345 1 5 . 1 1 38 38 GLN H H 38 8.082 8.082 7.798 0.284 17857 2346 1 5 . 1 1 39 39 THR N N 39 109.779 109.779 114.660 -4.881 17857 2347 1 5 . 1 1 39 39 THR HA H 39 4.312 4.312 4.038 0.274 17857 2348 1 5 . 1 1 39 39 THR C C 39 176.802 176.802 176.172 0.630 17857 2349 1 5 . 1 1 39 39 THR CA C 39 64.576 64.576 65.365 -0.789 17857 2350 1 5 . 1 1 39 39 THR CB C 39 69.847 69.847 69.036 0.811 17857 2351 1 5 . 1 1 39 39 THR H H 39 7.683 7.683 7.703 -0.020 17857 2352 1 5 . 1 1 40 40 GLU N N 40 118.440 118.440 119.789 -1.349 17857 2353 1 5 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.278 0.438 17857 2354 1 5 . 1 1 40 40 GLU C C 40 177.106 177.106 178.006 -0.900 17857 2355 1 5 . 1 1 40 40 GLU CA C 40 56.922 56.922 58.514 -1.592 17857 2356 1 5 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.096 0.166 17857 2357 1 5 . 1 1 40 40 GLU H H 40 8.971 8.971 8.445 0.526 17857 2358 1 5 . 1 1 41 41 LEU N N 41 119.219 119.219 119.088 0.131 17857 2359 1 5 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.290 0.838 17857 2360 1 5 . 1 1 41 41 LEU C C 41 177.669 177.669 177.253 0.416 17857 2361 1 5 . 1 1 41 41 LEU CA C 41 53.300 53.300 55.986 -2.686 17857 2362 1 5 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.912 -0.704 17857 2363 1 5 . 1 1 41 41 LEU H H 41 7.733 7.733 8.265 -0.532 17857 2364 1 5 . 1 1 42 42 SER N N 42 112.897 112.897 112.823 0.074 17857 2365 1 5 . 1 1 42 42 SER HA H 42 3.880 3.880 4.185 -0.305 17857 2366 1 5 . 1 1 42 42 SER C C 42 176.429 176.429 174.257 2.172 17857 2367 1 5 . 1 1 42 42 SER CA C 42 61.867 61.867 59.113 2.754 17857 2368 1 5 . 1 1 42 42 SER CB C 42 62.864 62.864 61.877 0.987 17857 2369 1 5 . 1 1 42 42 SER H H 42 6.915 6.915 8.438 -1.523 17857 2370 1 5 . 1 1 43 43 GLY N N 43 114.357 114.357 106.993 7.364 17857 2371 1 5 . 1 1 43 43 GLY C C 43 178.051 178.051 175.296 2.755 17857 2372 1 5 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.115 1.729 17857 2373 1 5 . 1 1 43 43 GLY H H 43 9.244 9.244 8.104 1.140 17857 2374 1 5 . 1 1 44 44 PHE N N 44 124.297 124.297 122.255 2.042 17857 2375 1 5 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.195 0.398 17857 2376 1 5 . 1 1 44 44 PHE C C 44 178.168 178.168 177.630 0.538 17857 2377 1 5 . 1 1 44 44 PHE CA C 44 57.510 57.510 60.410 -2.900 17857 2378 1 5 . 1 1 44 44 PHE CB C 44 36.143 36.143 37.911 -1.768 17857 2379 1 5 . 1 1 44 44 PHE H H 44 8.273 8.273 7.928 0.345 17857 2380 1 5 . 1 1 45 45 LEU N N 45 116.097 116.097 114.482 1.615 17857 2381 1 5 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.228 -0.052 17857 2382 1 5 . 1 1 45 45 LEU C C 45 179.069 179.069 178.220 0.849 17857 2383 1 5 . 1 1 45 45 LEU CA C 45 57.580 57.580 57.393 0.187 17857 2384 1 5 . 1 1 45 45 LEU CB C 45 41.377 41.377 41.005 0.372 17857 2385 1 5 . 1 1 45 45 LEU H H 45 8.559 8.559 7.961 0.598 17857 2386 1 5 . 1 1 46 46 ASP N N 46 119.849 119.849 121.003 -1.154 17857 2387 1 5 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.504 0.209 17857 2388 1 5 . 1 1 46 46 ASP C C 46 176.152 176.152 176.035 0.117 17857 2389 1 5 . 1 1 46 46 ASP CA C 46 55.845 55.845 55.327 0.519 17857 2390 1 5 . 1 1 46 46 ASP CB C 46 41.640 41.640 41.063 0.577 17857 2391 1 5 . 1 1 46 46 ASP H H 46 7.707 7.707 8.076 -0.369 17857 2392 1 5 . 1 1 47 47 ALA N N 47 124.027 124.027 121.887 2.140 17857 2393 1 5 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.602 0.006 17857 2394 1 5 . 1 1 47 47 ALA C C 47 176.271 176.271 175.414 0.857 17857 2395 1 5 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.014 -1.293 17857 2396 1 5 . 1 1 47 47 ALA CB C 47 18.985 18.985 19.740 -0.755 17857 2397 1 5 . 1 1 47 47 ALA H H 47 7.710 7.710 7.674 0.036 17857 2398 1 5 . 1 1 48 48 GLN N N 48 117.138 117.138 118.725 -1.587 17857 2399 1 5 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.319 -0.204 17857 2400 1 5 . 1 1 48 48 GLN C C 48 175.907 175.907 175.211 0.696 17857 2401 1 5 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.510 1.565 17857 2402 1 5 . 1 1 48 48 GLN CB C 48 30.504 30.504 29.360 1.144 17857 2403 1 5 . 1 1 48 48 GLN H H 48 7.562 7.562 7.920 -0.358 17857 2404 1 5 . 1 1 49 49 LYS N N 49 121.265 121.265 124.069 -2.804 17857 2405 1 5 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.449 -0.300 17857 2406 1 5 . 1 1 49 49 LYS C C 49 176.157 176.157 177.436 -1.279 17857 2407 1 5 . 1 1 49 49 LYS CA C 49 56.337 56.337 56.370 -0.033 17857 2408 1 5 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.564 -1.333 17857 2409 1 5 . 1 1 49 49 LYS H H 49 7.974 7.974 8.635 -0.661 17857 2410 1 5 . 1 1 50 50 ASP N N 50 119.019 119.019 122.022 -3.003 17857 2411 1 5 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.610 0.072 17857 2412 1 5 . 1 1 50 50 ASP C C 50 175.466 175.466 176.153 -0.687 17857 2413 1 5 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.849 -3.039 17857 2414 1 5 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.303 -1.347 17857 2415 1 5 . 1 1 50 50 ASP H H 50 7.523 7.523 7.783 -0.260 17857 2416 1 5 . 1 1 51 51 VAL N N 51 121.906 121.906 121.288 0.618 17857 2417 1 5 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.285 -0.424 17857 2418 1 5 . 1 1 51 51 VAL C C 51 178.158 178.158 176.624 1.534 17857 2419 1 5 . 1 1 51 51 VAL CA C 51 64.804 64.804 64.068 0.736 17857 2420 1 5 . 1 1 51 51 VAL CB C 51 31.831 31.831 33.645 -1.815 17857 2421 1 5 . 1 1 51 51 VAL H H 51 7.618 7.618 8.156 -0.538 17857 2422 1 5 . 1 1 52 52 ASP N N 52 119.692 119.692 121.030 -1.338 17857 2423 1 5 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.391 -0.032 17857 2424 1 5 . 1 1 52 52 ASP C C 52 178.427 178.427 177.383 1.044 17857 2425 1 5 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.363 -0.004 17857 2426 1 5 . 1 1 52 52 ASP CB C 52 40.921 40.921 40.085 0.836 17857 2427 1 5 . 1 1 52 52 ASP H H 52 8.081 8.081 8.683 -0.602 17857 2428 1 5 . 1 1 53 53 ALA N N 53 122.046 122.046 121.512 0.534 17857 2429 1 5 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.097 -0.077 17857 2430 1 5 . 1 1 53 53 ALA C C 53 180.602 180.602 179.183 1.419 17857 2431 1 5 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.918 -0.188 17857 2432 1 5 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.335 0.532 17857 2433 1 5 . 1 1 53 53 ALA H H 53 7.538 7.538 8.466 -0.928 17857 2434 1 5 . 1 1 54 54 VAL N N 54 117.817 117.817 118.606 -0.789 17857 2435 1 5 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.707 -0.357 17857 2436 1 5 . 1 1 54 54 VAL C C 54 177.718 177.718 177.752 -0.034 17857 2437 1 5 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.149 1.518 17857 2438 1 5 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.617 0.098 17857 2439 1 5 . 1 1 54 54 VAL H H 54 7.286 7.286 7.481 -0.195 17857 2440 1 5 . 1 1 55 55 ASP N N 55 119.601 119.601 120.101 -0.500 17857 2441 1 5 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.409 -0.122 17857 2442 1 5 . 1 1 55 55 ASP C C 55 178.508 178.508 178.274 0.234 17857 2443 1 5 . 1 1 55 55 ASP CA C 55 57.618 57.618 56.848 0.770 17857 2444 1 5 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.551 0.676 17857 2445 1 5 . 1 1 55 55 ASP H H 55 8.456 8.456 8.039 0.417 17857 2446 1 5 . 1 1 56 56 LYS N N 56 117.890 117.890 120.701 -2.811 17857 2447 1 5 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.910 0.025 17857 2448 1 5 . 1 1 56 56 LYS C C 56 179.509 179.509 178.611 0.898 17857 2449 1 5 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.950 -0.061 17857 2450 1 5 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.467 0.053 17857 2451 1 5 . 1 1 56 56 LYS H H 56 7.921 7.921 7.732 0.189 17857 2452 1 5 . 1 1 57 57 VAL N N 57 119.196 119.196 118.804 0.392 17857 2453 1 5 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.705 0.017 17857 2454 1 5 . 1 1 57 57 VAL C C 57 177.928 177.928 177.550 0.378 17857 2455 1 5 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.999 0.219 17857 2456 1 5 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.601 0.730 17857 2457 1 5 . 1 1 57 57 VAL H H 57 7.292 7.292 7.456 -0.164 17857 2458 1 5 . 1 1 58 58 MET N N 58 115.902 115.902 118.364 -2.462 17857 2459 1 5 . 1 1 58 58 MET HA H 58 4.128 4.128 4.092 0.036 17857 2460 1 5 . 1 1 58 58 MET C C 58 178.952 178.952 178.034 0.918 17857 2461 1 5 . 1 1 58 58 MET CA C 58 57.582 57.582 58.828 -1.246 17857 2462 1 5 . 1 1 58 58 MET CB C 58 31.511 31.511 32.334 -0.823 17857 2463 1 5 . 1 1 58 58 MET H H 58 8.313 8.313 7.453 0.860 17857 2464 1 5 . 1 1 59 59 LYS N N 59 118.845 118.845 121.310 -2.465 17857 2465 1 5 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.861 0.211 17857 2466 1 5 . 1 1 59 59 LYS C C 59 179.149 179.149 178.623 0.526 17857 2467 1 5 . 1 1 59 59 LYS CA C 59 59.160 59.160 60.317 -1.157 17857 2468 1 5 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.284 0.261 17857 2469 1 5 . 1 1 59 59 LYS H H 59 8.563 8.563 8.532 0.031 17857 2470 1 5 . 1 1 60 60 GLU N N 60 119.868 119.868 118.161 1.707 17857 2471 1 5 . 1 1 60 60 GLU HA H 60 4.032 4.032 3.999 0.033 17857 2472 1 5 . 1 1 60 60 GLU C C 60 179.083 179.083 179.244 -0.161 17857 2473 1 5 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.537 0.229 17857 2474 1 5 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.556 -0.799 17857 2475 1 5 . 1 1 60 60 GLU H H 60 7.467 7.467 8.054 -0.587 17857 2476 1 5 . 1 1 61 61 LEU N N 61 116.866 116.866 117.817 -0.951 17857 2477 1 5 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.097 -0.130 17857 2478 1 5 . 1 1 61 61 LEU C C 61 177.870 177.870 178.755 -0.885 17857 2479 1 5 . 1 1 61 61 LEU CA C 61 57.251 57.251 56.843 0.408 17857 2480 1 5 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.967 -1.196 17857 2481 1 5 . 1 1 61 61 LEU H H 61 7.597 7.597 7.272 0.325 17857 2482 1 5 . 1 1 62 62 ASP N N 62 115.773 115.773 119.324 -3.551 17857 2483 1 5 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.369 0.118 17857 2484 1 5 . 1 1 62 62 ASP C C 62 178.871 178.871 179.268 -0.397 17857 2485 1 5 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.968 -0.847 17857 2486 1 5 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.755 1.071 17857 2487 1 5 . 1 1 62 62 ASP H H 62 7.509 7.509 7.990 -0.481 17857 2488 1 5 . 1 1 63 63 GLU N N 63 119.120 119.120 120.319 -1.199 17857 2489 1 5 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.148 -0.017 17857 2490 1 5 . 1 1 63 63 GLU C C 63 176.937 176.937 176.339 0.598 17857 2491 1 5 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.116 -0.063 17857 2492 1 5 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.155 -0.036 17857 2493 1 5 . 1 1 63 63 GLU H H 63 8.068 8.068 8.597 -0.529 17857 2494 1 5 . 1 1 64 64 ASN N N 64 117.779 117.779 113.844 3.935 17857 2495 1 5 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.833 0.289 17857 2496 1 5 . 1 1 64 64 ASN C C 64 176.299 176.299 174.826 1.473 17857 2497 1 5 . 1 1 64 64 ASN CA C 64 52.221 52.221 52.212 0.009 17857 2498 1 5 . 1 1 64 64 ASN CB C 64 38.943 38.943 39.735 -0.792 17857 2499 1 5 . 1 1 64 64 ASN H H 64 7.719 7.719 7.438 0.281 17857 2500 1 5 . 1 1 65 65 GLY N N 65 106.860 106.860 108.292 -1.432 17857 2501 1 5 . 1 1 65 65 GLY C C 65 174.113 174.113 174.457 -0.344 17857 2502 1 5 . 1 1 65 65 GLY CA C 65 47.965 47.965 46.389 1.577 17857 2503 1 5 . 1 1 65 65 GLY H H 65 7.705 7.705 8.229 -0.524 17857 2504 1 5 . 1 1 66 66 ASP N N 66 115.761 115.761 120.548 -4.787 17857 2505 1 5 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.629 0.208 17857 2506 1 5 . 1 1 66 66 ASP C C 66 177.865 177.865 176.022 1.843 17857 2507 1 5 . 1 1 66 66 ASP CA C 66 54.199 54.199 53.328 0.871 17857 2508 1 5 . 1 1 66 66 ASP CB C 66 40.784 40.784 38.469 2.315 17857 2509 1 5 . 1 1 66 66 ASP H H 66 8.266 8.266 7.798 0.468 17857 2510 1 5 . 1 1 67 67 GLY N N 67 109.034 109.034 109.604 -0.570 17857 2511 1 5 . 1 1 67 67 GLY C C 67 172.364 172.364 172.146 0.218 17857 2512 1 5 . 1 1 67 67 GLY CA C 67 45.136 45.136 45.084 0.052 17857 2513 1 5 . 1 1 67 67 GLY H H 67 8.237 8.237 7.814 0.423 17857 2514 1 5 . 1 1 68 68 GLU N N 68 117.964 117.964 118.065 -0.101 17857 2515 1 5 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.131 0.038 17857 2516 1 5 . 1 1 68 68 GLU C C 68 176.201 176.201 175.402 0.799 17857 2517 1 5 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.252 0.076 17857 2518 1 5 . 1 1 68 68 GLU CB C 68 33.900 33.900 34.198 -0.298 17857 2519 1 5 . 1 1 68 68 GLU H H 68 8.415 8.415 8.307 0.108 17857 2520 1 5 . 1 1 69 69 VAL N N 69 116.232 116.232 115.597 0.635 17857 2521 1 5 . 1 1 69 69 VAL HA H 69 4.901 4.901 5.056 -0.155 17857 2522 1 5 . 1 1 69 69 VAL C C 69 174.378 174.378 174.141 0.237 17857 2523 1 5 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.763 -0.212 17857 2524 1 5 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.348 -0.250 17857 2525 1 5 . 1 1 69 69 VAL H H 69 9.134 9.134 8.930 0.204 17857 2526 1 5 . 1 1 70 70 ASP N N 70 121.337 121.337 120.764 0.573 17857 2527 1 5 . 1 1 70 70 ASP HA H 70 5.531 5.531 5.098 0.433 17857 2528 1 5 . 1 1 70 70 ASP C C 70 176.081 176.081 176.667 -0.586 17857 2529 1 5 . 1 1 70 70 ASP CA C 70 51.315 51.315 51.939 -0.624 17857 2530 1 5 . 1 1 70 70 ASP CB C 70 42.873 42.873 43.801 -0.928 17857 2531 1 5 . 1 1 70 70 ASP H H 70 8.233 8.233 8.281 -0.048 17857 2532 1 5 . 1 1 71 71 PHE N N 71 119.131 119.131 120.535 -1.404 17857 2533 1 5 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.435 0.014 17857 2534 1 5 . 1 1 71 71 PHE C C 71 176.693 176.693 177.090 -0.397 17857 2535 1 5 . 1 1 71 71 PHE CA C 71 61.576 61.576 62.359 -0.783 17857 2536 1 5 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.277 1.191 17857 2537 1 5 . 1 1 71 71 PHE H H 71 9.370 9.370 8.904 0.466 17857 2538 1 5 . 1 1 72 72 GLN N N 72 116.462 116.462 117.280 -0.818 17857 2539 1 5 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.741 -0.303 17857 2540 1 5 . 1 1 72 72 GLN C C 72 177.396 177.396 177.999 -0.603 17857 2541 1 5 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.484 1.283 17857 2542 1 5 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.094 0.689 17857 2543 1 5 . 1 1 72 72 GLN H H 72 8.096 8.096 8.752 -0.656 17857 2544 1 5 . 1 1 73 73 GLU N N 73 119.541 119.541 117.893 1.648 17857 2545 1 5 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.108 -0.121 17857 2546 1 5 . 1 1 73 73 GLU C C 73 178.861 178.861 178.142 0.719 17857 2547 1 5 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.727 0.551 17857 2548 1 5 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.314 0.992 17857 2549 1 5 . 1 1 73 73 GLU H H 73 8.139 8.139 8.647 -0.508 17857 2550 1 5 . 1 1 74 74 TYR N N 74 122.065 122.065 120.889 1.176 17857 2551 1 5 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.350 -0.028 17857 2552 1 5 . 1 1 74 74 TYR C C 74 175.562 175.562 176.894 -1.332 17857 2553 1 5 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.217 -0.889 17857 2554 1 5 . 1 1 74 74 TYR CB C 74 36.867 36.867 39.344 -2.477 17857 2555 1 5 . 1 1 74 74 TYR H H 74 8.157 8.157 7.748 0.409 17857 2556 1 5 . 1 1 75 75 VAL N N 75 119.872 119.872 118.071 1.801 17857 2557 1 5 . 1 1 75 75 VAL HA H 75 2.670 2.670 2.981 -0.311 17857 2558 1 5 . 1 1 75 75 VAL C C 75 177.425 177.425 177.527 -0.102 17857 2559 1 5 . 1 1 75 75 VAL CA C 75 67.001 67.001 66.007 0.994 17857 2560 1 5 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.566 0.135 17857 2561 1 5 . 1 1 75 75 VAL H H 75 7.915 7.915 8.214 -0.299 17857 2562 1 5 . 1 1 76 76 VAL N N 76 119.169 119.169 118.717 0.452 17857 2563 1 5 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.593 -0.243 17857 2564 1 5 . 1 1 76 76 VAL C C 76 178.933 178.933 177.683 1.250 17857 2565 1 5 . 1 1 76 76 VAL CA C 76 66.800 66.800 65.358 1.442 17857 2566 1 5 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.251 0.349 17857 2567 1 5 . 1 1 76 76 VAL H H 76 7.545 7.545 7.355 0.190 17857 2568 1 5 . 1 1 77 77 LEU N N 77 121.356 121.356 119.226 2.130 17857 2569 1 5 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.855 0.324 17857 2570 1 5 . 1 1 77 77 LEU C C 77 179.226 179.226 179.001 0.225 17857 2571 1 5 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.679 0.593 17857 2572 1 5 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.615 0.377 17857 2573 1 5 . 1 1 77 77 LEU H H 77 7.789 7.789 7.406 0.383 17857 2574 1 5 . 1 1 78 78 VAL N N 78 119.358 119.358 118.594 0.764 17857 2575 1 5 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.482 -0.029 17857 2576 1 5 . 1 1 78 78 VAL C C 78 180.653 180.653 177.256 3.397 17857 2577 1 5 . 1 1 78 78 VAL CA C 78 67.253 67.253 66.196 1.057 17857 2578 1 5 . 1 1 78 78 VAL CB C 78 31.392 31.392 31.369 0.023 17857 2579 1 5 . 1 1 78 78 VAL H H 78 8.350 8.350 7.605 0.745 17857 2580 1 5 . 1 1 79 79 ALA N N 79 125.018 125.018 119.797 5.221 17857 2581 1 5 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.141 -0.103 17857 2582 1 5 . 1 1 79 79 ALA C C 79 178.321 178.321 178.373 -0.052 17857 2583 1 5 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.665 2.416 17857 2584 1 5 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.474 -0.186 17857 2585 1 5 . 1 1 79 79 ALA H H 79 9.009 9.009 7.455 1.554 17857 2586 1 5 . 1 1 80 80 ALA N N 80 121.933 121.933 123.372 -1.439 17857 2587 1 5 . 1 1 80 80 ALA HA H 80 4.003 4.003 4.030 -0.027 17857 2588 1 5 . 1 1 80 80 ALA C C 80 181.548 181.548 179.220 2.328 17857 2589 1 5 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.953 0.466 17857 2590 1 5 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.068 -0.399 17857 2591 1 5 . 1 1 80 80 ALA H H 80 8.311 8.311 7.113 1.198 17857 2592 1 5 . 1 1 81 81 LEU N N 81 117.563 117.563 115.189 2.374 17857 2593 1 5 . 1 1 81 81 LEU HA H 81 4.033 4.033 3.953 0.080 17857 2594 1 5 . 1 1 81 81 LEU C C 81 178.536 178.536 178.511 0.025 17857 2595 1 5 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.255 0.408 17857 2596 1 5 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.011 0.942 17857 2597 1 5 . 1 1 81 81 LEU H H 81 8.056 8.056 7.484 0.572 17857 2598 1 5 . 1 1 82 82 THR N N 82 117.473 117.473 117.004 0.469 17857 2599 1 5 . 1 1 82 82 THR HA H 82 3.669 3.669 3.346 0.323 17857 2600 1 5 . 1 1 82 82 THR C C 82 176.658 176.658 176.367 0.291 17857 2601 1 5 . 1 1 82 82 THR CA C 82 68.836 68.836 66.583 2.253 17857 2602 1 5 . 1 1 82 82 THR CB C 82 67.515 67.515 68.417 -0.902 17857 2603 1 5 . 1 1 82 82 THR H H 82 8.299 8.299 7.267 1.032 17857 2604 1 5 . 1 1 83 83 VAL N N 83 121.111 121.111 120.565 0.546 17857 2605 1 5 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.662 -0.536 17857 2606 1 5 . 1 1 83 83 VAL C C 83 176.323 176.323 176.774 -0.451 17857 2607 1 5 . 1 1 83 83 VAL CA C 83 65.247 65.247 65.517 -0.271 17857 2608 1 5 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.098 -0.076 17857 2609 1 5 . 1 1 83 83 VAL H H 83 7.953 7.953 7.608 0.345 17857 2610 1 5 . 1 1 84 84 ALA N N 84 117.068 117.068 119.478 -2.410 17857 2611 1 5 . 1 1 84 84 ALA HA H 84 4.573 4.573 3.935 0.638 17857 2612 1 5 . 1 1 84 84 ALA C C 84 177.919 177.919 178.774 -0.855 17857 2613 1 5 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.582 -0.562 17857 2614 1 5 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.988 1.955 17857 2615 1 5 . 1 1 84 84 ALA H H 84 7.105 7.105 7.393 -0.288 17857 2616 1 5 . 1 1 85 85 CYS N N 85 112.195 112.195 113.161 -0.966 17857 2617 1 5 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.289 0.251 17857 2618 1 5 . 1 1 85 85 CYS C C 85 173.282 173.282 174.589 -1.307 17857 2619 1 5 . 1 1 85 85 CYS CA C 85 60.342 60.342 60.498 -0.156 17857 2620 1 5 . 1 1 85 85 CYS CB C 85 32.440 32.440 28.559 3.881 17857 2621 1 5 . 1 1 85 85 CYS H H 85 7.371 7.371 7.422 -0.051 17857 2622 1 5 . 1 1 86 86 ASN N N 86 118.815 118.815 121.382 -2.567 17857 2623 1 5 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.524 -0.027 17857 2624 1 5 . 1 1 86 86 ASN CA C 86 54.737 54.737 55.090 -0.353 17857 2625 1 5 . 1 1 86 86 ASN CB C 86 42.130 42.130 39.304 2.826 17857 2626 1 5 . 1 1 86 86 ASN H H 86 8.347 8.347 8.194 0.153 17857 2627 1 5 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.966 -0.641 17857 2628 1 5 . 1 1 87 87 ASN C C 87 176.216 176.216 174.228 1.988 17857 2629 1 5 . 1 1 87 87 ASN CA C 87 56.570 56.570 52.275 4.295 17857 2630 1 5 . 1 1 87 87 ASN CB C 87 38.479 38.479 38.705 -0.226 17857 2631 1 5 . 1 1 88 88 PHE N N 88 120.522 120.522 122.686 -2.164 17857 2632 1 5 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.229 -0.132 17857 2633 1 5 . 1 1 88 88 PHE C C 88 176.803 176.803 175.869 0.934 17857 2634 1 5 . 1 1 88 88 PHE CA C 88 61.023 61.023 63.130 -2.107 17857 2635 1 5 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.397 0.285 17857 2636 1 5 . 1 1 88 88 PHE H H 88 8.642 8.642 9.000 -0.358 17857 2637 1 5 . 1 1 89 89 PHE N N 89 112.727 112.727 117.957 -5.230 17857 2638 1 5 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.291 -0.488 17857 2639 1 5 . 1 1 89 89 PHE C C 89 173.691 173.691 176.910 -3.219 17857 2640 1 5 . 1 1 89 89 PHE CA C 89 59.208 59.208 60.235 -1.027 17857 2641 1 5 . 1 1 89 89 PHE CB C 89 39.029 39.029 39.214 -0.185 17857 2642 1 5 . 1 1 89 89 PHE H H 89 7.408 7.408 8.555 -1.147 17857 2643 1 5 . 1 1 90 90 TRP N N 90 118.731 118.731 117.657 1.074 17857 2644 1 5 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.335 0.255 17857 2645 1 5 . 1 1 90 90 TRP C C 90 175.269 175.269 176.173 -0.904 17857 2646 1 5 . 1 1 90 90 TRP CA C 90 56.840 56.840 59.102 -2.262 17857 2647 1 5 . 1 1 90 90 TRP CB C 90 31.400 31.400 29.189 2.211 17857 2648 1 5 . 1 1 90 90 TRP H H 90 7.359 7.359 7.943 -0.584 17857 2649 1 5 . 1 1 91 91 GLU N N 91 121.302 121.302 113.927 7.375 17857 2650 1 5 . 1 1 91 91 GLU HA H 91 4.342 4.342 3.858 0.484 17857 2651 1 5 . 1 1 91 91 GLU C C 91 176.081 176.081 176.070 0.011 17857 2652 1 5 . 1 1 91 91 GLU CA C 91 56.857 56.857 56.807 0.050 17857 2653 1 5 . 1 1 91 91 GLU CB C 91 30.548 30.548 27.447 3.101 17857 2654 1 5 . 1 1 91 91 GLU H H 91 7.766 7.766 7.735 0.031 17857 2655 1 5 . 1 1 92 92 ASN N N 92 120.522 120.522 117.706 2.816 17857 2656 1 5 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.633 0.134 17857 2657 1 5 . 1 1 92 92 ASN C C 92 174.283 174.283 175.379 -1.096 17857 2658 1 5 . 1 1 92 92 ASN CA C 92 53.407 53.407 53.264 0.143 17857 2659 1 5 . 1 1 92 92 ASN CB C 92 39.276 39.276 37.680 1.596 17857 2660 1 5 . 1 1 92 92 ASN H H 92 8.462 8.462 8.368 0.094 17857 2661 1 6 . 1 1 2 2 SER N N 2 118.698 118.698 117.278 1.420 17857 2662 1 6 . 1 1 2 2 SER HA H 2 4.691 4.691 4.587 0.104 17857 2663 1 6 . 1 1 2 2 SER C C 2 175.496 175.496 175.143 0.353 17857 2664 1 6 . 1 1 2 2 SER CA C 2 57.481 57.481 57.539 -0.058 17857 2665 1 6 . 1 1 2 2 SER CB C 2 65.371 65.371 65.296 0.075 17857 2666 1 6 . 1 1 2 2 SER H H 2 9.211 9.211 7.863 1.348 17857 2667 1 6 . 1 1 3 3 GLU N N 3 122.860 122.860 121.879 0.981 17857 2668 1 6 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.123 -0.008 17857 2669 1 6 . 1 1 3 3 GLU C C 3 179.171 179.171 178.086 1.085 17857 2670 1 6 . 1 1 3 3 GLU CA C 3 60.757 60.757 59.220 1.537 17857 2671 1 6 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.310 -0.271 17857 2672 1 6 . 1 1 3 3 GLU H H 3 9.205 9.205 9.030 0.175 17857 2673 1 6 . 1 1 4 4 LEU N N 4 120.718 120.718 119.667 1.051 17857 2674 1 6 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.141 -0.105 17857 2675 1 6 . 1 1 4 4 LEU C C 4 178.360 178.360 178.257 0.103 17857 2676 1 6 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.412 0.499 17857 2677 1 6 . 1 1 4 4 LEU CB C 4 42.362 42.362 42.029 0.333 17857 2678 1 6 . 1 1 4 4 LEU H H 4 8.854 8.854 7.510 1.344 17857 2679 1 6 . 1 1 5 5 GLU N N 5 118.542 118.542 118.517 0.025 17857 2680 1 6 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.983 -0.728 17857 2681 1 6 . 1 1 5 5 GLU C C 5 179.204 179.204 179.114 0.090 17857 2682 1 6 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.509 0.308 17857 2683 1 6 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.522 -0.319 17857 2684 1 6 . 1 1 5 5 GLU H H 5 7.791 7.791 7.733 0.058 17857 2685 1 6 . 1 1 6 6 THR N N 6 115.783 115.783 113.695 2.088 17857 2686 1 6 . 1 1 6 6 THR HA H 6 4.017 4.017 4.392 -0.375 17857 2687 1 6 . 1 1 6 6 THR C C 6 176.807 176.807 175.889 0.918 17857 2688 1 6 . 1 1 6 6 THR CA C 6 66.668 66.668 63.906 2.762 17857 2689 1 6 . 1 1 6 6 THR CB C 6 68.763 68.763 68.589 0.174 17857 2690 1 6 . 1 1 6 6 THR H H 6 8.371 8.371 7.685 0.686 17857 2691 1 6 . 1 1 7 7 ALA N N 7 125.707 125.707 123.811 1.896 17857 2692 1 6 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.084 0.188 17857 2693 1 6 . 1 1 7 7 ALA C C 7 179.856 179.856 179.304 0.552 17857 2694 1 6 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.105 0.597 17857 2695 1 6 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.470 -0.240 17857 2696 1 6 . 1 1 7 7 ALA H H 7 8.267 8.267 7.641 0.626 17857 2697 1 6 . 1 1 8 8 MET N N 8 115.222 115.222 115.463 -0.241 17857 2698 1 6 . 1 1 8 8 MET HA H 8 4.858 4.858 4.493 0.365 17857 2699 1 6 . 1 1 8 8 MET C C 8 179.635 179.635 178.409 1.226 17857 2700 1 6 . 1 1 8 8 MET CA C 8 56.669 56.669 56.190 0.479 17857 2701 1 6 . 1 1 8 8 MET CB C 8 29.136 29.136 31.566 -2.430 17857 2702 1 6 . 1 1 8 8 MET H H 8 8.106 8.106 7.629 0.477 17857 2703 1 6 . 1 1 9 9 GLU N N 9 120.456 120.456 120.587 -0.131 17857 2704 1 6 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.031 0.084 17857 2705 1 6 . 1 1 9 9 GLU C C 9 179.531 179.531 179.360 0.171 17857 2706 1 6 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.285 1.346 17857 2707 1 6 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.166 -0.190 17857 2708 1 6 . 1 1 9 9 GLU H H 9 8.658 8.658 7.959 0.699 17857 2709 1 6 . 1 1 10 10 THR N N 10 118.547 118.547 116.191 2.356 17857 2710 1 6 . 1 1 10 10 THR HA H 10 4.116 4.116 4.142 -0.026 17857 2711 1 6 . 1 1 10 10 THR C C 10 175.942 175.942 176.234 -0.292 17857 2712 1 6 . 1 1 10 10 THR CA C 10 67.521 67.521 66.795 0.726 17857 2713 1 6 . 1 1 10 10 THR CB C 10 67.933 67.933 68.993 -1.060 17857 2714 1 6 . 1 1 10 10 THR H H 10 8.417 8.417 7.866 0.551 17857 2715 1 6 . 1 1 11 11 LEU N N 11 121.715 121.715 123.399 -1.684 17857 2716 1 6 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.324 -0.257 17857 2717 1 6 . 1 1 11 11 LEU C C 11 181.784 181.784 179.054 2.730 17857 2718 1 6 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.472 1.970 17857 2719 1 6 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.129 -0.136 17857 2720 1 6 . 1 1 11 11 LEU H H 11 8.324 8.324 7.475 0.849 17857 2721 1 6 . 1 1 12 12 ILE N N 12 121.081 121.081 119.736 1.345 17857 2722 1 6 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.769 -0.205 17857 2723 1 6 . 1 1 12 12 ILE C C 12 176.221 176.221 177.734 -1.513 17857 2724 1 6 . 1 1 12 12 ILE CA C 12 66.178 66.178 63.728 2.450 17857 2725 1 6 . 1 1 12 12 ILE CB C 12 38.395 38.395 36.943 1.452 17857 2726 1 6 . 1 1 12 12 ILE H H 12 8.419 8.419 8.593 -0.174 17857 2727 1 6 . 1 1 13 13 ASN N N 13 120.254 120.254 118.356 1.898 17857 2728 1 6 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.443 -0.073 17857 2729 1 6 . 1 1 13 13 ASN C C 13 179.124 179.124 178.190 0.934 17857 2730 1 6 . 1 1 13 13 ASN CA C 13 56.615 56.615 56.181 0.435 17857 2731 1 6 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.112 0.043 17857 2732 1 6 . 1 1 13 13 ASN H H 13 8.593 8.593 7.835 0.758 17857 2733 1 6 . 1 1 14 14 VAL N N 14 121.599 121.599 120.586 1.013 17857 2734 1 6 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.786 0.070 17857 2735 1 6 . 1 1 14 14 VAL C C 14 177.155 177.155 177.668 -0.513 17857 2736 1 6 . 1 1 14 14 VAL CA C 14 66.705 66.705 66.379 0.326 17857 2737 1 6 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.806 0.078 17857 2738 1 6 . 1 1 14 14 VAL H H 14 8.838 8.838 7.845 0.993 17857 2739 1 6 . 1 1 15 15 PHE N N 15 120.139 120.139 120.667 -0.528 17857 2740 1 6 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.934 -0.335 17857 2741 1 6 . 1 1 15 15 PHE C C 15 177.601 177.601 177.276 0.325 17857 2742 1 6 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.672 -0.273 17857 2743 1 6 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.347 0.285 17857 2744 1 6 . 1 1 15 15 PHE H H 15 7.456 7.456 8.968 -1.512 17857 2745 1 6 . 1 1 16 16 HIS N N 16 118.175 118.175 117.781 0.394 17857 2746 1 6 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.423 0.720 17857 2747 1 6 . 1 1 16 16 HIS C C 16 177.972 177.972 177.548 0.424 17857 2748 1 6 . 1 1 16 16 HIS CA C 16 55.795 55.795 58.832 -3.037 17857 2749 1 6 . 1 1 16 16 HIS CB C 16 30.327 30.327 29.929 0.398 17857 2750 1 6 . 1 1 16 16 HIS H H 16 9.137 9.137 8.129 1.008 17857 2751 1 6 . 1 1 17 17 ALA N N 17 121.734 121.734 121.725 0.009 17857 2752 1 6 . 1 1 17 17 ALA HA H 17 3.820 3.820 3.994 -0.174 17857 2753 1 6 . 1 1 17 17 ALA C C 17 178.713 178.713 178.774 -0.061 17857 2754 1 6 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.700 -0.083 17857 2755 1 6 . 1 1 17 17 ALA CB C 17 17.700 17.700 18.074 -0.374 17857 2756 1 6 . 1 1 17 17 ALA H H 17 8.133 8.133 7.639 0.494 17857 2757 1 6 . 1 1 18 18 HIS N N 18 113.408 113.408 115.193 -1.785 17857 2758 1 6 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.580 -0.260 17857 2759 1 6 . 1 1 18 18 HIS CA C 18 57.837 57.837 58.383 -0.546 17857 2760 1 6 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.655 1.993 17857 2761 1 6 . 1 1 18 18 HIS H H 18 7.286 7.286 7.608 -0.322 17857 2762 1 6 . 1 1 19 19 SER N N 19 120.877 120.877 116.617 4.260 17857 2763 1 6 . 1 1 19 19 SER HA H 19 4.124 4.124 4.114 0.010 17857 2764 1 6 . 1 1 19 19 SER C C 19 176.676 176.676 176.658 0.018 17857 2765 1 6 . 1 1 19 19 SER CA C 19 60.979 60.979 61.284 -0.305 17857 2766 1 6 . 1 1 19 19 SER CB C 19 61.813 61.813 62.384 -0.571 17857 2767 1 6 . 1 1 19 19 SER H H 19 9.322 9.322 8.287 1.035 17857 2768 1 6 . 1 1 20 20 GLY N N 20 107.206 107.206 110.768 -3.562 17857 2769 1 6 . 1 1 20 20 GLY C C 20 174.913 174.913 174.650 0.263 17857 2770 1 6 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.824 -0.543 17857 2771 1 6 . 1 1 20 20 GLY H H 20 8.233 8.233 8.024 0.209 17857 2772 1 6 . 1 1 21 21 LYS N N 21 118.717 118.717 120.299 -1.582 17857 2773 1 6 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.286 -0.245 17857 2774 1 6 . 1 1 21 21 LYS C C 21 176.623 176.623 175.724 0.899 17857 2775 1 6 . 1 1 21 21 LYS CA C 21 58.185 58.185 56.110 2.075 17857 2776 1 6 . 1 1 21 21 LYS CB C 21 33.157 33.157 32.970 0.187 17857 2777 1 6 . 1 1 21 21 LYS H H 21 7.333 7.333 7.269 0.064 17857 2778 1 6 . 1 1 22 22 GLU N N 22 116.257 116.257 120.276 -4.019 17857 2779 1 6 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.136 0.305 17857 2780 1 6 . 1 1 22 22 GLU C C 22 175.554 175.554 176.953 -1.399 17857 2781 1 6 . 1 1 22 22 GLU CA C 22 55.488 55.488 57.404 -1.916 17857 2782 1 6 . 1 1 22 22 GLU CB C 22 31.892 31.892 29.527 2.365 17857 2783 1 6 . 1 1 22 22 GLU H H 22 7.603 7.603 8.344 -0.741 17857 2784 1 6 . 1 1 23 23 GLY N N 23 108.614 108.614 110.999 -2.385 17857 2785 1 6 . 1 1 23 23 GLY C C 23 173.976 173.976 172.697 1.279 17857 2786 1 6 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.216 1.808 17857 2787 1 6 . 1 1 23 23 GLY H H 23 8.261 8.261 8.377 -0.116 17857 2788 1 6 . 1 1 24 24 ASP N N 24 124.252 124.252 121.595 2.657 17857 2789 1 6 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.664 -0.105 17857 2790 1 6 . 1 1 24 24 ASP C C 24 177.376 177.376 176.807 0.569 17857 2791 1 6 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.342 -0.518 17857 2792 1 6 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.403 1.289 17857 2793 1 6 . 1 1 24 24 ASP H H 24 8.313 8.313 8.473 -0.160 17857 2794 1 6 . 1 1 25 25 LYS N N 25 125.006 125.006 123.509 1.497 17857 2795 1 6 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.094 0.043 17857 2796 1 6 . 1 1 25 25 LYS C C 25 175.980 175.980 177.339 -1.359 17857 2797 1 6 . 1 1 25 25 LYS CA C 25 57.436 57.436 58.139 -0.703 17857 2798 1 6 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.647 -0.302 17857 2799 1 6 . 1 1 25 25 LYS H H 25 8.327 8.327 8.433 -0.106 17857 2800 1 6 . 1 1 26 26 TYR N N 26 117.300 117.300 116.507 0.793 17857 2801 1 6 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.370 0.716 17857 2802 1 6 . 1 1 26 26 TYR C C 26 175.592 175.592 176.052 -0.460 17857 2803 1 6 . 1 1 26 26 TYR CA C 26 57.552 57.552 59.972 -2.420 17857 2804 1 6 . 1 1 26 26 TYR CB C 26 38.052 38.052 38.153 -0.101 17857 2805 1 6 . 1 1 26 26 TYR H H 26 8.490 8.490 7.656 0.834 17857 2806 1 6 . 1 1 27 27 LYS N N 27 117.820 117.820 115.845 1.975 17857 2807 1 6 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.874 0.629 17857 2808 1 6 . 1 1 27 27 LYS C C 27 174.259 174.259 174.838 -0.579 17857 2809 1 6 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.542 -0.448 17857 2810 1 6 . 1 1 27 27 LYS CB C 27 37.626 37.626 37.056 0.570 17857 2811 1 6 . 1 1 27 27 LYS H H 27 7.793 7.793 8.105 -0.312 17857 2812 1 6 . 1 1 28 28 LEU N N 28 120.282 120.282 121.327 -1.045 17857 2813 1 6 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.738 0.010 17857 2814 1 6 . 1 1 28 28 LEU C C 28 176.038 176.038 175.437 0.601 17857 2815 1 6 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.051 -0.009 17857 2816 1 6 . 1 1 28 28 LEU CB C 28 46.382 46.382 46.207 0.175 17857 2817 1 6 . 1 1 28 28 LEU H H 28 8.692 8.692 8.637 0.055 17857 2818 1 6 . 1 1 29 29 SER N N 29 119.669 119.669 119.604 0.065 17857 2819 1 6 . 1 1 29 29 SER HA H 29 5.121 5.121 4.770 0.351 17857 2820 1 6 . 1 1 29 29 SER C C 29 175.936 175.936 175.212 0.724 17857 2821 1 6 . 1 1 29 29 SER CA C 29 57.760 57.760 58.538 -0.778 17857 2822 1 6 . 1 1 29 29 SER CB C 29 64.689 64.689 64.319 0.370 17857 2823 1 6 . 1 1 29 29 SER H H 29 8.797 8.797 8.593 0.204 17857 2824 1 6 . 1 1 30 30 LYS N N 30 124.194 124.194 119.911 4.283 17857 2825 1 6 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.281 -0.420 17857 2826 1 6 . 1 1 30 30 LYS C C 30 178.523 178.523 178.598 -0.075 17857 2827 1 6 . 1 1 30 30 LYS CA C 30 61.591 61.591 58.788 2.803 17857 2828 1 6 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.710 -0.706 17857 2829 1 6 . 1 1 30 30 LYS H H 30 8.842 8.842 8.158 0.684 17857 2830 1 6 . 1 1 31 31 LYS N N 31 119.922 119.922 119.412 0.510 17857 2831 1 6 . 1 1 31 31 LYS HA H 31 4.157 4.157 4.046 0.111 17857 2832 1 6 . 1 1 31 31 LYS C C 31 179.293 179.293 179.214 0.079 17857 2833 1 6 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.254 0.172 17857 2834 1 6 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.028 0.558 17857 2835 1 6 . 1 1 31 31 LYS H H 31 8.786 8.786 8.274 0.512 17857 2836 1 6 . 1 1 32 32 GLN N N 32 119.859 119.859 118.163 1.696 17857 2837 1 6 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.256 -0.139 17857 2838 1 6 . 1 1 32 32 GLN C C 32 179.272 179.272 177.916 1.356 17857 2839 1 6 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.477 -0.298 17857 2840 1 6 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.449 0.371 17857 2841 1 6 . 1 1 32 32 GLN H H 32 7.769 7.769 7.555 0.214 17857 2842 1 6 . 1 1 33 33 LEU N N 33 122.146 122.146 120.952 1.194 17857 2843 1 6 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.939 0.106 17857 2844 1 6 . 1 1 33 33 LEU C C 33 177.408 177.408 179.041 -1.633 17857 2845 1 6 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.252 -0.917 17857 2846 1 6 . 1 1 33 33 LEU CB C 33 40.547 40.547 40.901 -0.354 17857 2847 1 6 . 1 1 33 33 LEU H H 33 8.918 8.918 7.448 1.470 17857 2848 1 6 . 1 1 34 34 LYS N N 34 120.726 120.726 117.628 3.098 17857 2849 1 6 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.922 -0.296 17857 2850 1 6 . 1 1 34 34 LYS C C 34 177.675 177.675 179.470 -1.795 17857 2851 1 6 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.643 1.342 17857 2852 1 6 . 1 1 34 34 LYS CB C 34 32.000 32.000 31.947 0.053 17857 2853 1 6 . 1 1 34 34 LYS H H 34 8.423 8.423 7.830 0.593 17857 2854 1 6 . 1 1 35 35 GLU N N 35 116.999 116.999 119.313 -2.314 17857 2855 1 6 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.104 -0.034 17857 2856 1 6 . 1 1 35 35 GLU C C 35 179.003 179.003 178.862 0.141 17857 2857 1 6 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.314 0.188 17857 2858 1 6 . 1 1 35 35 GLU CB C 35 29.395 29.395 30.078 -0.683 17857 2859 1 6 . 1 1 35 35 GLU H H 35 7.186 7.186 7.351 -0.165 17857 2860 1 6 . 1 1 36 36 LEU N N 36 122.908 122.908 119.603 3.305 17857 2861 1 6 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.167 -0.454 17857 2862 1 6 . 1 1 36 36 LEU C C 36 178.810 178.810 178.726 0.084 17857 2863 1 6 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.151 1.282 17857 2864 1 6 . 1 1 36 36 LEU CB C 36 42.303 42.303 40.922 1.381 17857 2865 1 6 . 1 1 36 36 LEU H H 36 8.141 8.141 8.567 -0.426 17857 2866 1 6 . 1 1 37 37 LEU N N 37 119.746 119.746 119.979 -0.233 17857 2867 1 6 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.745 -0.056 17857 2868 1 6 . 1 1 37 37 LEU C C 37 178.128 178.128 178.993 -0.865 17857 2869 1 6 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.759 -0.343 17857 2870 1 6 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.226 0.297 17857 2871 1 6 . 1 1 37 37 LEU H H 37 8.772 8.772 8.889 -0.117 17857 2872 1 6 . 1 1 38 38 GLN N N 38 113.312 113.312 117.790 -4.478 17857 2873 1 6 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.053 -0.286 17857 2874 1 6 . 1 1 38 38 GLN C C 38 177.536 177.536 178.327 -0.791 17857 2875 1 6 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.602 0.184 17857 2876 1 6 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.591 0.423 17857 2877 1 6 . 1 1 38 38 GLN H H 38 8.082 8.082 7.967 0.115 17857 2878 1 6 . 1 1 39 39 THR N N 39 109.779 109.779 114.389 -4.610 17857 2879 1 6 . 1 1 39 39 THR HA H 39 4.312 4.312 4.039 0.273 17857 2880 1 6 . 1 1 39 39 THR C C 39 176.802 176.802 176.047 0.755 17857 2881 1 6 . 1 1 39 39 THR CA C 39 64.576 64.576 65.541 -0.965 17857 2882 1 6 . 1 1 39 39 THR CB C 39 69.847 69.847 68.891 0.955 17857 2883 1 6 . 1 1 39 39 THR H H 39 7.683 7.683 7.774 -0.091 17857 2884 1 6 . 1 1 40 40 GLU N N 40 118.440 118.440 119.260 -0.820 17857 2885 1 6 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.319 0.397 17857 2886 1 6 . 1 1 40 40 GLU C C 40 177.106 177.106 178.045 -0.939 17857 2887 1 6 . 1 1 40 40 GLU CA C 40 56.922 56.922 58.154 -1.232 17857 2888 1 6 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.439 -0.177 17857 2889 1 6 . 1 1 40 40 GLU H H 40 8.971 8.971 8.503 0.468 17857 2890 1 6 . 1 1 41 41 LEU N N 41 119.219 119.219 119.302 -0.083 17857 2891 1 6 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.452 0.676 17857 2892 1 6 . 1 1 41 41 LEU C C 41 177.669 177.669 177.776 -0.107 17857 2893 1 6 . 1 1 41 41 LEU CA C 41 53.300 53.300 55.685 -2.385 17857 2894 1 6 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.869 -0.661 17857 2895 1 6 . 1 1 41 41 LEU H H 41 7.733 7.733 8.500 -0.767 17857 2896 1 6 . 1 1 42 42 SER N N 42 112.897 112.897 112.379 0.518 17857 2897 1 6 . 1 1 42 42 SER HA H 42 3.880 3.880 4.140 -0.260 17857 2898 1 6 . 1 1 42 42 SER C C 42 176.429 176.429 174.736 1.693 17857 2899 1 6 . 1 1 42 42 SER CA C 42 61.867 61.867 59.452 2.415 17857 2900 1 6 . 1 1 42 42 SER CB C 42 62.864 62.864 62.407 0.457 17857 2901 1 6 . 1 1 42 42 SER H H 42 6.915 6.915 8.485 -1.570 17857 2902 1 6 . 1 1 43 43 GLY N N 43 114.357 114.357 105.669 8.688 17857 2903 1 6 . 1 1 43 43 GLY C C 43 178.051 178.051 174.447 3.604 17857 2904 1 6 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.119 1.725 17857 2905 1 6 . 1 1 43 43 GLY H H 43 9.244 9.244 8.249 0.995 17857 2906 1 6 . 1 1 44 44 PHE N N 44 124.297 124.297 120.947 3.350 17857 2907 1 6 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.373 0.220 17857 2908 1 6 . 1 1 44 44 PHE C C 44 178.168 178.168 178.142 0.026 17857 2909 1 6 . 1 1 44 44 PHE CA C 44 57.510 57.510 59.700 -2.190 17857 2910 1 6 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.341 -2.198 17857 2911 1 6 . 1 1 44 44 PHE H H 44 8.273 8.273 8.078 0.195 17857 2912 1 6 . 1 1 45 45 LEU N N 45 116.097 116.097 116.754 -0.657 17857 2913 1 6 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.159 0.017 17857 2914 1 6 . 1 1 45 45 LEU C C 45 179.069 179.069 177.312 1.757 17857 2915 1 6 . 1 1 45 45 LEU CA C 45 57.580 57.580 57.695 -0.115 17857 2916 1 6 . 1 1 45 45 LEU CB C 45 41.377 41.377 40.882 0.495 17857 2917 1 6 . 1 1 45 45 LEU H H 45 8.559 8.559 7.986 0.573 17857 2918 1 6 . 1 1 46 46 ASP N N 46 119.849 119.849 120.597 -0.748 17857 2919 1 6 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.494 0.219 17857 2920 1 6 . 1 1 46 46 ASP C C 46 176.152 176.152 176.053 0.099 17857 2921 1 6 . 1 1 46 46 ASP CA C 46 55.845 55.845 55.834 0.011 17857 2922 1 6 . 1 1 46 46 ASP CB C 46 41.640 41.640 40.367 1.273 17857 2923 1 6 . 1 1 46 46 ASP H H 46 7.707 7.707 8.451 -0.744 17857 2924 1 6 . 1 1 47 47 ALA N N 47 124.027 124.027 121.359 2.668 17857 2925 1 6 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.591 0.017 17857 2926 1 6 . 1 1 47 47 ALA C C 47 176.271 176.271 175.825 0.446 17857 2927 1 6 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.183 -1.462 17857 2928 1 6 . 1 1 47 47 ALA CB C 47 18.985 18.985 20.072 -1.087 17857 2929 1 6 . 1 1 47 47 ALA H H 47 7.710 7.710 7.453 0.257 17857 2930 1 6 . 1 1 48 48 GLN N N 48 117.138 117.138 121.950 -4.812 17857 2931 1 6 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.367 -0.252 17857 2932 1 6 . 1 1 48 48 GLN C C 48 175.907 175.907 176.255 -0.348 17857 2933 1 6 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.645 1.429 17857 2934 1 6 . 1 1 48 48 GLN CB C 48 30.504 30.504 28.516 1.988 17857 2935 1 6 . 1 1 48 48 GLN H H 48 7.562 7.562 8.701 -1.139 17857 2936 1 6 . 1 1 49 49 LYS N N 49 121.265 121.265 124.263 -2.998 17857 2937 1 6 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.118 0.031 17857 2938 1 6 . 1 1 49 49 LYS C C 49 176.157 176.157 176.870 -0.713 17857 2939 1 6 . 1 1 49 49 LYS CA C 49 56.337 56.337 58.131 -1.794 17857 2940 1 6 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.894 -1.663 17857 2941 1 6 . 1 1 49 49 LYS H H 49 7.974 7.974 8.747 -0.773 17857 2942 1 6 . 1 1 50 50 ASP N N 50 119.019 119.019 118.686 0.333 17857 2943 1 6 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.831 -0.149 17857 2944 1 6 . 1 1 50 50 ASP C C 50 175.466 175.466 176.056 -0.590 17857 2945 1 6 . 1 1 50 50 ASP CA C 50 51.810 51.810 53.450 -1.640 17857 2946 1 6 . 1 1 50 50 ASP CB C 50 39.955 39.955 42.365 -2.410 17857 2947 1 6 . 1 1 50 50 ASP H H 50 7.523 7.523 7.831 -0.308 17857 2948 1 6 . 1 1 51 51 VAL N N 51 121.906 121.906 123.983 -2.077 17857 2949 1 6 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.062 -0.201 17857 2950 1 6 . 1 1 51 51 VAL C C 51 178.158 178.158 176.108 2.050 17857 2951 1 6 . 1 1 51 51 VAL CA C 51 64.804 64.804 64.143 0.661 17857 2952 1 6 . 1 1 51 51 VAL CB C 51 31.831 31.831 33.093 -1.262 17857 2953 1 6 . 1 1 51 51 VAL H H 51 7.618 7.618 8.564 -0.946 17857 2954 1 6 . 1 1 52 52 ASP N N 52 119.692 119.692 120.246 -0.554 17857 2955 1 6 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.442 -0.083 17857 2956 1 6 . 1 1 52 52 ASP C C 52 178.427 178.427 177.841 0.586 17857 2957 1 6 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.355 0.005 17857 2958 1 6 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.230 1.691 17857 2959 1 6 . 1 1 52 52 ASP H H 52 8.081 8.081 8.551 -0.470 17857 2960 1 6 . 1 1 53 53 ALA N N 53 122.046 122.046 123.533 -1.487 17857 2961 1 6 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.035 -0.015 17857 2962 1 6 . 1 1 53 53 ALA C C 53 180.602 180.602 179.480 1.122 17857 2963 1 6 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.797 -0.067 17857 2964 1 6 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.319 0.548 17857 2965 1 6 . 1 1 53 53 ALA H H 53 7.538 7.538 8.247 -0.709 17857 2966 1 6 . 1 1 54 54 VAL N N 54 117.817 117.817 116.197 1.620 17857 2967 1 6 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.635 -0.285 17857 2968 1 6 . 1 1 54 54 VAL C C 54 177.718 177.718 177.524 0.194 17857 2969 1 6 . 1 1 54 54 VAL CA C 54 66.667 66.667 66.201 0.466 17857 2970 1 6 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.492 0.223 17857 2971 1 6 . 1 1 54 54 VAL H H 54 7.286 7.286 7.877 -0.591 17857 2972 1 6 . 1 1 55 55 ASP N N 55 119.601 119.601 120.502 -0.901 17857 2973 1 6 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.338 -0.051 17857 2974 1 6 . 1 1 55 55 ASP C C 55 178.508 178.508 178.112 0.396 17857 2975 1 6 . 1 1 55 55 ASP CA C 55 57.618 57.618 57.468 0.150 17857 2976 1 6 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.645 0.582 17857 2977 1 6 . 1 1 55 55 ASP H H 55 8.456 8.456 8.089 0.367 17857 2978 1 6 . 1 1 56 56 LYS N N 56 117.890 117.890 120.076 -2.186 17857 2979 1 6 . 1 1 56 56 LYS HA H 56 3.935 3.935 4.005 -0.070 17857 2980 1 6 . 1 1 56 56 LYS C C 56 179.509 179.509 178.902 0.607 17857 2981 1 6 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.380 0.509 17857 2982 1 6 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.090 0.430 17857 2983 1 6 . 1 1 56 56 LYS H H 56 7.921 7.921 7.728 0.193 17857 2984 1 6 . 1 1 57 57 VAL N N 57 119.196 119.196 119.581 -0.385 17857 2985 1 6 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.689 0.033 17857 2986 1 6 . 1 1 57 57 VAL C C 57 177.928 177.928 177.563 0.365 17857 2987 1 6 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.849 0.369 17857 2988 1 6 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.846 0.485 17857 2989 1 6 . 1 1 57 57 VAL H H 57 7.292 7.292 7.324 -0.032 17857 2990 1 6 . 1 1 58 58 MET N N 58 115.902 115.902 118.572 -2.670 17857 2991 1 6 . 1 1 58 58 MET HA H 58 4.128 4.128 4.048 0.080 17857 2992 1 6 . 1 1 58 58 MET C C 58 178.952 178.952 177.814 1.138 17857 2993 1 6 . 1 1 58 58 MET CA C 58 57.582 57.582 58.847 -1.265 17857 2994 1 6 . 1 1 58 58 MET CB C 58 31.511 31.511 32.344 -0.833 17857 2995 1 6 . 1 1 58 58 MET H H 58 8.313 8.313 8.089 0.224 17857 2996 1 6 . 1 1 59 59 LYS N N 59 118.845 118.845 120.724 -1.879 17857 2997 1 6 . 1 1 59 59 LYS HA H 59 4.072 4.072 4.147 -0.075 17857 2998 1 6 . 1 1 59 59 LYS C C 59 179.149 179.149 178.582 0.567 17857 2999 1 6 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.468 -0.308 17857 3000 1 6 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.218 0.327 17857 3001 1 6 . 1 1 59 59 LYS H H 59 8.563 8.563 8.388 0.175 17857 3002 1 6 . 1 1 60 60 GLU N N 60 119.868 119.868 118.822 1.046 17857 3003 1 6 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.037 -0.005 17857 3004 1 6 . 1 1 60 60 GLU C C 60 179.083 179.083 178.999 0.084 17857 3005 1 6 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.487 0.279 17857 3006 1 6 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.559 -0.802 17857 3007 1 6 . 1 1 60 60 GLU H H 60 7.467 7.467 7.809 -0.342 17857 3008 1 6 . 1 1 61 61 LEU N N 61 116.866 116.866 117.059 -0.193 17857 3009 1 6 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.110 -0.143 17857 3010 1 6 . 1 1 61 61 LEU C C 61 177.870 177.870 177.602 0.268 17857 3011 1 6 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.184 0.067 17857 3012 1 6 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.678 -0.908 17857 3013 1 6 . 1 1 61 61 LEU H H 61 7.597 7.597 7.315 0.282 17857 3014 1 6 . 1 1 62 62 ASP N N 62 115.773 115.773 117.616 -1.843 17857 3015 1 6 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.412 0.075 17857 3016 1 6 . 1 1 62 62 ASP C C 62 178.871 178.871 179.239 -0.368 17857 3017 1 6 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.802 -0.681 17857 3018 1 6 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.201 1.625 17857 3019 1 6 . 1 1 62 62 ASP H H 62 7.509 7.509 7.528 -0.019 17857 3020 1 6 . 1 1 63 63 GLU N N 63 119.120 119.120 118.746 0.374 17857 3021 1 6 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.128 0.003 17857 3022 1 6 . 1 1 63 63 GLU C C 63 176.937 176.937 176.601 0.336 17857 3023 1 6 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.529 -0.476 17857 3024 1 6 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.216 -0.097 17857 3025 1 6 . 1 1 63 63 GLU H H 63 8.068 8.068 8.008 0.060 17857 3026 1 6 . 1 1 64 64 ASN N N 64 117.779 117.779 113.858 3.921 17857 3027 1 6 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.842 0.280 17857 3028 1 6 . 1 1 64 64 ASN C C 64 176.299 176.299 175.131 1.168 17857 3029 1 6 . 1 1 64 64 ASN CA C 64 52.221 52.221 52.428 -0.207 17857 3030 1 6 . 1 1 64 64 ASN CB C 64 38.943 38.943 38.874 0.069 17857 3031 1 6 . 1 1 64 64 ASN H H 64 7.719 7.719 7.334 0.385 17857 3032 1 6 . 1 1 65 65 GLY N N 65 106.860 106.860 108.724 -1.864 17857 3033 1 6 . 1 1 65 65 GLY C C 65 174.113 174.113 174.054 0.059 17857 3034 1 6 . 1 1 65 65 GLY CA C 65 47.965 47.965 46.343 1.622 17857 3035 1 6 . 1 1 65 65 GLY H H 65 7.705 7.705 8.662 -0.957 17857 3036 1 6 . 1 1 66 66 ASP N N 66 115.761 115.761 120.720 -4.959 17857 3037 1 6 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.760 0.077 17857 3038 1 6 . 1 1 66 66 ASP C C 66 177.865 177.865 175.695 2.170 17857 3039 1 6 . 1 1 66 66 ASP CA C 66 54.199 54.199 54.413 -0.214 17857 3040 1 6 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.303 -0.519 17857 3041 1 6 . 1 1 66 66 ASP H H 66 8.266 8.266 7.796 0.470 17857 3042 1 6 . 1 1 67 67 GLY N N 67 109.034 109.034 109.948 -0.914 17857 3043 1 6 . 1 1 67 67 GLY C C 67 172.364 172.364 171.744 0.620 17857 3044 1 6 . 1 1 67 67 GLY CA C 67 45.136 45.136 44.913 0.223 17857 3045 1 6 . 1 1 67 67 GLY H H 67 8.237 8.237 7.970 0.267 17857 3046 1 6 . 1 1 68 68 GLU N N 68 117.964 117.964 119.195 -1.231 17857 3047 1 6 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.225 -0.056 17857 3048 1 6 . 1 1 68 68 GLU C C 68 176.201 176.201 175.169 1.032 17857 3049 1 6 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.258 0.070 17857 3050 1 6 . 1 1 68 68 GLU CB C 68 33.900 33.900 34.166 -0.266 17857 3051 1 6 . 1 1 68 68 GLU H H 68 8.415 8.415 8.367 0.048 17857 3052 1 6 . 1 1 69 69 VAL N N 69 116.232 116.232 114.512 1.720 17857 3053 1 6 . 1 1 69 69 VAL HA H 69 4.901 4.901 5.050 -0.149 17857 3054 1 6 . 1 1 69 69 VAL C C 69 174.378 174.378 174.668 -0.290 17857 3055 1 6 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.465 0.086 17857 3056 1 6 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.179 -0.082 17857 3057 1 6 . 1 1 69 69 VAL H H 69 9.134 9.134 9.046 0.088 17857 3058 1 6 . 1 1 70 70 ASP N N 70 121.337 121.337 121.336 0.001 17857 3059 1 6 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.990 0.541 17857 3060 1 6 . 1 1 70 70 ASP C C 70 176.081 176.081 176.551 -0.470 17857 3061 1 6 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.584 -1.268 17857 3062 1 6 . 1 1 70 70 ASP CB C 70 42.873 42.873 42.420 0.453 17857 3063 1 6 . 1 1 70 70 ASP H H 70 8.233 8.233 8.146 0.087 17857 3064 1 6 . 1 1 71 71 PHE N N 71 119.131 119.131 119.914 -0.783 17857 3065 1 6 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.998 -0.549 17857 3066 1 6 . 1 1 71 71 PHE C C 71 176.693 176.693 177.293 -0.600 17857 3067 1 6 . 1 1 71 71 PHE CA C 71 61.576 61.576 62.271 -0.695 17857 3068 1 6 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.510 0.958 17857 3069 1 6 . 1 1 71 71 PHE H H 71 9.370 9.370 8.774 0.596 17857 3070 1 6 . 1 1 72 72 GLN N N 72 116.462 116.462 117.168 -0.706 17857 3071 1 6 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.799 -0.361 17857 3072 1 6 . 1 1 72 72 GLN C C 72 177.396 177.396 178.232 -0.836 17857 3073 1 6 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.193 1.574 17857 3074 1 6 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.305 0.478 17857 3075 1 6 . 1 1 72 72 GLN H H 72 8.096 8.096 8.495 -0.399 17857 3076 1 6 . 1 1 73 73 GLU N N 73 119.541 119.541 117.859 1.682 17857 3077 1 6 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.058 -0.071 17857 3078 1 6 . 1 1 73 73 GLU C C 73 178.861 178.861 177.432 1.429 17857 3079 1 6 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.475 0.804 17857 3080 1 6 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.759 0.547 17857 3081 1 6 . 1 1 73 73 GLU H H 73 8.139 8.139 8.420 -0.281 17857 3082 1 6 . 1 1 74 74 TYR N N 74 122.065 122.065 118.719 3.346 17857 3083 1 6 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.374 -0.052 17857 3084 1 6 . 1 1 74 74 TYR C C 74 175.562 175.562 176.952 -1.390 17857 3085 1 6 . 1 1 74 74 TYR CA C 74 60.327 60.327 60.156 0.171 17857 3086 1 6 . 1 1 74 74 TYR CB C 74 36.867 36.867 39.933 -3.066 17857 3087 1 6 . 1 1 74 74 TYR H H 74 8.157 8.157 7.429 0.728 17857 3088 1 6 . 1 1 75 75 VAL N N 75 119.872 119.872 117.573 2.299 17857 3089 1 6 . 1 1 75 75 VAL HA H 75 2.670 2.670 2.803 -0.133 17857 3090 1 6 . 1 1 75 75 VAL C C 75 177.425 177.425 177.563 -0.138 17857 3091 1 6 . 1 1 75 75 VAL CA C 75 67.001 67.001 66.055 0.946 17857 3092 1 6 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.856 -0.155 17857 3093 1 6 . 1 1 75 75 VAL H H 75 7.915 7.915 8.218 -0.303 17857 3094 1 6 . 1 1 76 76 VAL N N 76 119.169 119.169 118.492 0.677 17857 3095 1 6 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.558 -0.208 17857 3096 1 6 . 1 1 76 76 VAL C C 76 178.933 178.933 177.699 1.234 17857 3097 1 6 . 1 1 76 76 VAL CA C 76 66.800 66.800 65.428 1.372 17857 3098 1 6 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.476 0.124 17857 3099 1 6 . 1 1 76 76 VAL H H 76 7.545 7.545 7.530 0.015 17857 3100 1 6 . 1 1 77 77 LEU N N 77 121.356 121.356 120.162 1.194 17857 3101 1 6 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.963 0.216 17857 3102 1 6 . 1 1 77 77 LEU C C 77 179.226 179.226 178.378 0.848 17857 3103 1 6 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.475 0.798 17857 3104 1 6 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.969 0.022 17857 3105 1 6 . 1 1 77 77 LEU H H 77 7.789 7.789 7.481 0.308 17857 3106 1 6 . 1 1 78 78 VAL N N 78 119.358 119.358 117.936 1.422 17857 3107 1 6 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.529 -0.076 17857 3108 1 6 . 1 1 78 78 VAL C C 78 180.653 180.653 177.448 3.205 17857 3109 1 6 . 1 1 78 78 VAL CA C 78 67.253 67.253 65.778 1.474 17857 3110 1 6 . 1 1 78 78 VAL CB C 78 31.392 31.392 30.998 0.394 17857 3111 1 6 . 1 1 78 78 VAL H H 78 8.350 8.350 7.676 0.674 17857 3112 1 6 . 1 1 79 79 ALA N N 79 125.018 125.018 119.931 5.087 17857 3113 1 6 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.057 -0.019 17857 3114 1 6 . 1 1 79 79 ALA C C 79 178.321 178.321 178.333 -0.012 17857 3115 1 6 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.722 2.359 17857 3116 1 6 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.352 -0.063 17857 3117 1 6 . 1 1 79 79 ALA H H 79 9.009 9.009 7.379 1.630 17857 3118 1 6 . 1 1 80 80 ALA N N 80 121.933 121.933 123.432 -1.499 17857 3119 1 6 . 1 1 80 80 ALA HA H 80 4.003 4.003 3.971 0.032 17857 3120 1 6 . 1 1 80 80 ALA C C 80 181.548 181.548 179.134 2.414 17857 3121 1 6 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.923 0.496 17857 3122 1 6 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.053 -0.384 17857 3123 1 6 . 1 1 80 80 ALA H H 80 8.311 8.311 7.184 1.127 17857 3124 1 6 . 1 1 81 81 LEU N N 81 117.563 117.563 114.592 2.971 17857 3125 1 6 . 1 1 81 81 LEU HA H 81 4.033 4.033 3.994 0.039 17857 3126 1 6 . 1 1 81 81 LEU C C 81 178.536 178.536 178.287 0.249 17857 3127 1 6 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.295 0.368 17857 3128 1 6 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.368 0.585 17857 3129 1 6 . 1 1 81 81 LEU H H 81 8.056 8.056 7.488 0.568 17857 3130 1 6 . 1 1 82 82 THR N N 82 117.473 117.473 116.053 1.420 17857 3131 1 6 . 1 1 82 82 THR HA H 82 3.669 3.669 3.340 0.329 17857 3132 1 6 . 1 1 82 82 THR C C 82 176.658 176.658 176.296 0.362 17857 3133 1 6 . 1 1 82 82 THR CA C 82 68.836 68.836 66.271 2.565 17857 3134 1 6 . 1 1 82 82 THR CB C 82 67.515 67.515 68.052 -0.536 17857 3135 1 6 . 1 1 82 82 THR H H 82 8.299 8.299 7.235 1.064 17857 3136 1 6 . 1 1 83 83 VAL N N 83 121.111 121.111 120.339 0.772 17857 3137 1 6 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.484 -0.358 17857 3138 1 6 . 1 1 83 83 VAL C C 83 176.323 176.323 176.462 -0.139 17857 3139 1 6 . 1 1 83 83 VAL CA C 83 65.247 65.247 65.480 -0.233 17857 3140 1 6 . 1 1 83 83 VAL CB C 83 31.022 31.022 30.911 0.111 17857 3141 1 6 . 1 1 83 83 VAL H H 83 7.953 7.953 7.762 0.191 17857 3142 1 6 . 1 1 84 84 ALA N N 84 117.068 117.068 119.522 -2.454 17857 3143 1 6 . 1 1 84 84 ALA HA H 84 4.573 4.573 3.988 0.585 17857 3144 1 6 . 1 1 84 84 ALA C C 84 177.919 177.919 178.421 -0.502 17857 3145 1 6 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.703 -0.683 17857 3146 1 6 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.803 2.139 17857 3147 1 6 . 1 1 84 84 ALA H H 84 7.105 7.105 7.420 -0.315 17857 3148 1 6 . 1 1 85 85 CYS N N 85 112.195 112.195 114.145 -1.950 17857 3149 1 6 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.414 0.126 17857 3150 1 6 . 1 1 85 85 CYS C C 85 173.282 173.282 174.523 -1.241 17857 3151 1 6 . 1 1 85 85 CYS CA C 85 60.342 60.342 59.347 0.995 17857 3152 1 6 . 1 1 85 85 CYS CB C 85 32.440 32.440 28.991 3.449 17857 3153 1 6 . 1 1 85 85 CYS H H 85 7.371 7.371 7.440 -0.069 17857 3154 1 6 . 1 1 86 86 ASN N N 86 118.815 118.815 120.030 -1.215 17857 3155 1 6 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.769 -0.272 17857 3156 1 6 . 1 1 86 86 ASN CA C 86 54.737 54.737 54.626 0.112 17857 3157 1 6 . 1 1 86 86 ASN CB C 86 42.130 42.130 38.805 3.325 17857 3158 1 6 . 1 1 86 86 ASN H H 86 8.347 8.347 7.668 0.679 17857 3159 1 6 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.941 -0.616 17857 3160 1 6 . 1 1 87 87 ASN C C 87 176.216 176.216 174.962 1.254 17857 3161 1 6 . 1 1 87 87 ASN CA C 87 56.570 56.570 52.597 3.973 17857 3162 1 6 . 1 1 87 87 ASN CB C 87 38.479 38.479 39.002 -0.523 17857 3163 1 6 . 1 1 88 88 PHE N N 88 120.522 120.522 119.449 1.073 17857 3164 1 6 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.398 -0.301 17857 3165 1 6 . 1 1 88 88 PHE C C 88 176.803 176.803 176.594 0.209 17857 3166 1 6 . 1 1 88 88 PHE CA C 88 61.023 61.023 60.636 0.387 17857 3167 1 6 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.395 0.287 17857 3168 1 6 . 1 1 88 88 PHE H H 88 8.642 8.642 8.652 -0.010 17857 3169 1 6 . 1 1 89 89 PHE N N 89 112.727 112.727 115.157 -2.430 17857 3170 1 6 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.643 -0.840 17857 3171 1 6 . 1 1 89 89 PHE C C 89 173.691 173.691 174.249 -0.558 17857 3172 1 6 . 1 1 89 89 PHE CA C 89 59.208 59.208 57.347 1.861 17857 3173 1 6 . 1 1 89 89 PHE CB C 89 39.029 39.029 39.049 -0.020 17857 3174 1 6 . 1 1 89 89 PHE H H 89 7.408 7.408 8.211 -0.803 17857 3175 1 6 . 1 1 90 90 TRP N N 90 118.731 118.731 122.260 -3.529 17857 3176 1 6 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.846 -0.256 17857 3177 1 6 . 1 1 90 90 TRP C C 90 175.269 175.269 176.909 -1.640 17857 3178 1 6 . 1 1 90 90 TRP CA C 90 56.840 56.840 56.573 0.267 17857 3179 1 6 . 1 1 90 90 TRP CB C 90 31.400 31.400 28.277 3.123 17857 3180 1 6 . 1 1 90 90 TRP H H 90 7.359 7.359 8.374 -1.015 17857 3181 1 6 . 1 1 91 91 GLU N N 91 121.302 121.302 121.015 0.287 17857 3182 1 6 . 1 1 91 91 GLU HA H 91 4.342 4.342 3.895 0.447 17857 3183 1 6 . 1 1 91 91 GLU C C 91 176.081 176.081 177.563 -1.482 17857 3184 1 6 . 1 1 91 91 GLU CA C 91 56.857 56.857 59.324 -2.467 17857 3185 1 6 . 1 1 91 91 GLU CB C 91 30.548 30.548 29.312 1.236 17857 3186 1 6 . 1 1 91 91 GLU H H 91 7.766 7.766 8.247 -0.481 17857 3187 1 6 . 1 1 92 92 ASN N N 92 120.522 120.522 116.832 3.690 17857 3188 1 6 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.570 0.197 17857 3189 1 6 . 1 1 92 92 ASN C C 92 174.283 174.283 175.066 -0.783 17857 3190 1 6 . 1 1 92 92 ASN CA C 92 53.407 53.407 53.653 -0.246 17857 3191 1 6 . 1 1 92 92 ASN CB C 92 39.276 39.276 38.464 0.812 17857 3192 1 6 . 1 1 92 92 ASN H H 92 8.462 8.462 8.660 -0.198 17857 3193 1 7 . 1 1 2 2 SER N N 2 118.698 118.698 116.504 2.194 17857 3194 1 7 . 1 1 2 2 SER HA H 2 4.691 4.691 4.418 0.273 17857 3195 1 7 . 1 1 2 2 SER C C 2 175.496 175.496 175.520 -0.024 17857 3196 1 7 . 1 1 2 2 SER CA C 2 57.481 57.481 57.611 -0.130 17857 3197 1 7 . 1 1 2 2 SER CB C 2 65.371 65.371 64.434 0.937 17857 3198 1 7 . 1 1 2 2 SER H H 2 9.211 9.211 7.957 1.254 17857 3199 1 7 . 1 1 3 3 GLU N N 3 122.860 122.860 122.512 0.348 17857 3200 1 7 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.124 -0.009 17857 3201 1 7 . 1 1 3 3 GLU C C 3 179.171 179.171 178.911 0.260 17857 3202 1 7 . 1 1 3 3 GLU CA C 3 60.757 60.757 58.965 1.792 17857 3203 1 7 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.587 -0.548 17857 3204 1 7 . 1 1 3 3 GLU H H 3 9.205 9.205 8.949 0.256 17857 3205 1 7 . 1 1 4 4 LEU N N 4 120.718 120.718 119.523 1.195 17857 3206 1 7 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.038 -0.002 17857 3207 1 7 . 1 1 4 4 LEU C C 4 178.360 178.360 178.045 0.315 17857 3208 1 7 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.579 0.332 17857 3209 1 7 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.787 0.575 17857 3210 1 7 . 1 1 4 4 LEU H H 4 8.854 8.854 8.107 0.747 17857 3211 1 7 . 1 1 5 5 GLU N N 5 118.542 118.542 117.442 1.100 17857 3212 1 7 . 1 1 5 5 GLU HA H 5 3.255 3.255 4.030 -0.775 17857 3213 1 7 . 1 1 5 5 GLU C C 5 179.204 179.204 178.979 0.225 17857 3214 1 7 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.337 0.481 17857 3215 1 7 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.218 -0.015 17857 3216 1 7 . 1 1 5 5 GLU H H 5 7.791 7.791 7.592 0.199 17857 3217 1 7 . 1 1 6 6 THR N N 6 115.783 115.783 113.838 1.945 17857 3218 1 7 . 1 1 6 6 THR HA H 6 4.017 4.017 4.416 -0.399 17857 3219 1 7 . 1 1 6 6 THR C C 6 176.807 176.807 176.100 0.707 17857 3220 1 7 . 1 1 6 6 THR CA C 6 66.668 66.668 64.028 2.640 17857 3221 1 7 . 1 1 6 6 THR CB C 6 68.763 68.763 68.621 0.142 17857 3222 1 7 . 1 1 6 6 THR H H 6 8.371 8.371 7.483 0.888 17857 3223 1 7 . 1 1 7 7 ALA N N 7 125.707 125.707 124.888 0.819 17857 3224 1 7 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.058 0.214 17857 3225 1 7 . 1 1 7 7 ALA C C 7 179.856 179.856 179.528 0.328 17857 3226 1 7 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.158 0.543 17857 3227 1 7 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.349 -0.119 17857 3228 1 7 . 1 1 7 7 ALA H H 7 8.267 8.267 8.033 0.234 17857 3229 1 7 . 1 1 8 8 MET N N 8 115.222 115.222 115.042 0.180 17857 3230 1 7 . 1 1 8 8 MET HA H 8 4.858 4.858 4.489 0.369 17857 3231 1 7 . 1 1 8 8 MET C C 8 179.635 179.635 178.359 1.276 17857 3232 1 7 . 1 1 8 8 MET CA C 8 56.669 56.669 56.302 0.367 17857 3233 1 7 . 1 1 8 8 MET CB C 8 29.136 29.136 31.617 -2.481 17857 3234 1 7 . 1 1 8 8 MET H H 8 8.106 8.106 7.742 0.364 17857 3235 1 7 . 1 1 9 9 GLU N N 9 120.456 120.456 120.716 -0.260 17857 3236 1 7 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.078 0.037 17857 3237 1 7 . 1 1 9 9 GLU C C 9 179.531 179.531 179.176 0.355 17857 3238 1 7 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.401 1.230 17857 3239 1 7 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.334 -0.357 17857 3240 1 7 . 1 1 9 9 GLU H H 9 8.658 8.658 8.115 0.543 17857 3241 1 7 . 1 1 10 10 THR N N 10 118.547 118.547 115.034 3.513 17857 3242 1 7 . 1 1 10 10 THR HA H 10 4.116 4.116 4.423 -0.307 17857 3243 1 7 . 1 1 10 10 THR C C 10 175.942 175.942 176.176 -0.234 17857 3244 1 7 . 1 1 10 10 THR CA C 10 67.521 67.521 65.532 1.989 17857 3245 1 7 . 1 1 10 10 THR CB C 10 67.933 67.933 68.805 -0.872 17857 3246 1 7 . 1 1 10 10 THR H H 10 8.417 8.417 7.952 0.465 17857 3247 1 7 . 1 1 11 11 LEU N N 11 121.715 121.715 122.554 -0.839 17857 3248 1 7 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.327 -0.260 17857 3249 1 7 . 1 1 11 11 LEU C C 11 181.784 181.784 179.191 2.593 17857 3250 1 7 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.189 2.254 17857 3251 1 7 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.202 -0.209 17857 3252 1 7 . 1 1 11 11 LEU H H 11 8.324 8.324 7.358 0.966 17857 3253 1 7 . 1 1 12 12 ILE N N 12 121.081 121.081 119.409 1.672 17857 3254 1 7 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.655 -0.091 17857 3255 1 7 . 1 1 12 12 ILE C C 12 176.221 176.221 176.927 -0.706 17857 3256 1 7 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.505 1.673 17857 3257 1 7 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.627 0.768 17857 3258 1 7 . 1 1 12 12 ILE H H 12 8.419 8.419 8.030 0.389 17857 3259 1 7 . 1 1 13 13 ASN N N 13 120.254 120.254 118.153 2.101 17857 3260 1 7 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.490 -0.120 17857 3261 1 7 . 1 1 13 13 ASN C C 13 179.124 179.124 177.337 1.787 17857 3262 1 7 . 1 1 13 13 ASN CA C 13 56.615 56.615 55.835 0.780 17857 3263 1 7 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.494 -0.339 17857 3264 1 7 . 1 1 13 13 ASN H H 13 8.593 8.593 7.913 0.680 17857 3265 1 7 . 1 1 14 14 VAL N N 14 121.599 121.599 118.232 3.367 17857 3266 1 7 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.745 0.111 17857 3267 1 7 . 1 1 14 14 VAL C C 14 177.155 177.155 176.858 0.297 17857 3268 1 7 . 1 1 14 14 VAL CA C 14 66.705 66.705 63.946 2.759 17857 3269 1 7 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.360 0.523 17857 3270 1 7 . 1 1 14 14 VAL H H 14 8.838 8.838 7.341 1.497 17857 3271 1 7 . 1 1 15 15 PHE N N 15 120.139 120.139 122.988 -2.849 17857 3272 1 7 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.947 -0.348 17857 3273 1 7 . 1 1 15 15 PHE C C 15 177.601 177.601 176.529 1.072 17857 3274 1 7 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.128 0.271 17857 3275 1 7 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.239 0.393 17857 3276 1 7 . 1 1 15 15 PHE H H 15 7.456 7.456 7.494 -0.038 17857 3277 1 7 . 1 1 16 16 HIS N N 16 118.175 118.175 118.064 0.111 17857 3278 1 7 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.333 0.810 17857 3279 1 7 . 1 1 16 16 HIS C C 16 177.972 177.972 177.122 0.850 17857 3280 1 7 . 1 1 16 16 HIS CA C 16 55.795 55.795 57.824 -2.029 17857 3281 1 7 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.319 2.008 17857 3282 1 7 . 1 1 16 16 HIS H H 16 9.137 9.137 8.517 0.620 17857 3283 1 7 . 1 1 17 17 ALA N N 17 121.734 121.734 121.983 -0.249 17857 3284 1 7 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.070 -0.250 17857 3285 1 7 . 1 1 17 17 ALA C C 17 178.713 178.713 178.883 -0.170 17857 3286 1 7 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.468 0.149 17857 3287 1 7 . 1 1 17 17 ALA CB C 17 17.700 17.700 17.947 -0.247 17857 3288 1 7 . 1 1 17 17 ALA H H 17 8.133 8.133 7.049 1.084 17857 3289 1 7 . 1 1 18 18 HIS N N 18 113.408 113.408 116.758 -3.350 17857 3290 1 7 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.530 -0.210 17857 3291 1 7 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.826 0.011 17857 3292 1 7 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.299 2.349 17857 3293 1 7 . 1 1 18 18 HIS H H 18 7.286 7.286 7.563 -0.277 17857 3294 1 7 . 1 1 19 19 SER N N 19 120.877 120.877 116.108 4.769 17857 3295 1 7 . 1 1 19 19 SER HA H 19 4.124 4.124 4.202 -0.078 17857 3296 1 7 . 1 1 19 19 SER C C 19 176.676 176.676 176.088 0.588 17857 3297 1 7 . 1 1 19 19 SER CA C 19 60.979 60.979 60.598 0.381 17857 3298 1 7 . 1 1 19 19 SER CB C 19 61.813 61.813 62.529 -0.716 17857 3299 1 7 . 1 1 19 19 SER H H 19 9.322 9.322 7.990 1.332 17857 3300 1 7 . 1 1 20 20 GLY N N 20 107.206 107.206 108.418 -1.212 17857 3301 1 7 . 1 1 20 20 GLY C C 20 174.913 174.913 173.683 1.230 17857 3302 1 7 . 1 1 20 20 GLY CA C 20 45.281 45.281 44.541 0.740 17857 3303 1 7 . 1 1 20 20 GLY H H 20 8.233 8.233 7.750 0.483 17857 3304 1 7 . 1 1 21 21 LYS N N 21 118.717 118.717 121.047 -2.330 17857 3305 1 7 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.476 -0.435 17857 3306 1 7 . 1 1 21 21 LYS C C 21 176.623 176.623 175.607 1.016 17857 3307 1 7 . 1 1 21 21 LYS CA C 21 58.185 58.185 55.850 2.335 17857 3308 1 7 . 1 1 21 21 LYS CB C 21 33.157 33.157 34.320 -1.163 17857 3309 1 7 . 1 1 21 21 LYS H H 21 7.333 7.333 7.413 -0.080 17857 3310 1 7 . 1 1 22 22 GLU N N 22 116.257 116.257 123.042 -6.785 17857 3311 1 7 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.029 0.412 17857 3312 1 7 . 1 1 22 22 GLU C C 22 175.554 175.554 175.436 0.118 17857 3313 1 7 . 1 1 22 22 GLU CA C 22 55.488 55.488 57.550 -2.062 17857 3314 1 7 . 1 1 22 22 GLU CB C 22 31.892 31.892 29.148 2.744 17857 3315 1 7 . 1 1 22 22 GLU H H 22 7.603 7.603 8.891 -1.288 17857 3316 1 7 . 1 1 23 23 GLY N N 23 108.614 108.614 110.455 -1.841 17857 3317 1 7 . 1 1 23 23 GLY C C 23 173.976 173.976 172.972 1.004 17857 3318 1 7 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.147 1.877 17857 3319 1 7 . 1 1 23 23 GLY H H 23 8.261 8.261 7.973 0.288 17857 3320 1 7 . 1 1 24 24 ASP N N 24 124.252 124.252 121.104 3.148 17857 3321 1 7 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.687 -0.128 17857 3322 1 7 . 1 1 24 24 ASP C C 24 177.376 177.376 176.363 1.013 17857 3323 1 7 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.575 -0.751 17857 3324 1 7 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.349 1.343 17857 3325 1 7 . 1 1 24 24 ASP H H 24 8.313 8.313 8.443 -0.130 17857 3326 1 7 . 1 1 25 25 LYS N N 25 125.006 125.006 115.658 9.348 17857 3327 1 7 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.206 -0.069 17857 3328 1 7 . 1 1 25 25 LYS C C 25 175.980 175.980 176.558 -0.578 17857 3329 1 7 . 1 1 25 25 LYS CA C 25 57.436 57.436 56.580 0.856 17857 3330 1 7 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.697 -0.352 17857 3331 1 7 . 1 1 25 25 LYS H H 25 8.327 8.327 8.100 0.227 17857 3332 1 7 . 1 1 26 26 TYR N N 26 117.300 117.300 120.173 -2.873 17857 3333 1 7 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.412 0.674 17857 3334 1 7 . 1 1 26 26 TYR C C 26 175.592 175.592 176.242 -0.650 17857 3335 1 7 . 1 1 26 26 TYR CA C 26 57.552 57.552 59.584 -2.032 17857 3336 1 7 . 1 1 26 26 TYR CB C 26 38.052 38.052 38.590 -0.538 17857 3337 1 7 . 1 1 26 26 TYR H H 26 8.490 8.490 8.143 0.347 17857 3338 1 7 . 1 1 27 27 LYS N N 27 117.820 117.820 115.441 2.379 17857 3339 1 7 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.815 0.688 17857 3340 1 7 . 1 1 27 27 LYS C C 27 174.259 174.259 174.731 -0.472 17857 3341 1 7 . 1 1 27 27 LYS CA C 27 54.094 54.094 55.057 -0.963 17857 3342 1 7 . 1 1 27 27 LYS CB C 27 37.626 37.626 36.587 1.039 17857 3343 1 7 . 1 1 27 27 LYS H H 27 7.793 7.793 7.383 0.410 17857 3344 1 7 . 1 1 28 28 LEU N N 28 120.282 120.282 122.035 -1.753 17857 3345 1 7 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.738 0.010 17857 3346 1 7 . 1 1 28 28 LEU C C 28 176.038 176.038 175.299 0.739 17857 3347 1 7 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.191 -0.149 17857 3348 1 7 . 1 1 28 28 LEU CB C 28 46.382 46.382 46.030 0.352 17857 3349 1 7 . 1 1 28 28 LEU H H 28 8.692 8.692 8.639 0.053 17857 3350 1 7 . 1 1 29 29 SER N N 29 119.669 119.669 119.020 0.649 17857 3351 1 7 . 1 1 29 29 SER HA H 29 5.121 5.121 4.776 0.345 17857 3352 1 7 . 1 1 29 29 SER C C 29 175.936 175.936 175.300 0.636 17857 3353 1 7 . 1 1 29 29 SER CA C 29 57.760 57.760 58.407 -0.647 17857 3354 1 7 . 1 1 29 29 SER CB C 29 64.689 64.689 64.330 0.359 17857 3355 1 7 . 1 1 29 29 SER H H 29 8.797 8.797 8.593 0.204 17857 3356 1 7 . 1 1 30 30 LYS N N 30 124.194 124.194 121.202 2.992 17857 3357 1 7 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.257 -0.396 17857 3358 1 7 . 1 1 30 30 LYS C C 30 178.523 178.523 178.731 -0.208 17857 3359 1 7 . 1 1 30 30 LYS CA C 30 61.591 61.591 59.040 2.551 17857 3360 1 7 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.657 -0.653 17857 3361 1 7 . 1 1 30 30 LYS H H 30 8.842 8.842 8.355 0.487 17857 3362 1 7 . 1 1 31 31 LYS N N 31 119.922 119.922 120.058 -0.136 17857 3363 1 7 . 1 1 31 31 LYS HA H 31 4.157 4.157 3.934 0.223 17857 3364 1 7 . 1 1 31 31 LYS C C 31 179.293 179.293 179.259 0.034 17857 3365 1 7 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.681 -0.255 17857 3366 1 7 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.036 0.550 17857 3367 1 7 . 1 1 31 31 LYS H H 31 8.786 8.786 8.278 0.508 17857 3368 1 7 . 1 1 32 32 GLN N N 32 119.859 119.859 117.452 2.407 17857 3369 1 7 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.219 -0.102 17857 3370 1 7 . 1 1 32 32 GLN C C 32 179.272 179.272 178.302 0.970 17857 3371 1 7 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.233 -0.055 17857 3372 1 7 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.568 0.252 17857 3373 1 7 . 1 1 32 32 GLN H H 32 7.769 7.769 7.535 0.234 17857 3374 1 7 . 1 1 33 33 LEU N N 33 122.146 122.146 119.662 2.484 17857 3375 1 7 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.983 0.062 17857 3376 1 7 . 1 1 33 33 LEU C C 33 177.408 177.408 178.173 -0.765 17857 3377 1 7 . 1 1 33 33 LEU CA C 33 57.335 57.335 57.503 -0.168 17857 3378 1 7 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.895 -1.348 17857 3379 1 7 . 1 1 33 33 LEU H H 33 8.918 8.918 7.793 1.125 17857 3380 1 7 . 1 1 34 34 LYS N N 34 120.726 120.726 117.899 2.827 17857 3381 1 7 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.991 -0.365 17857 3382 1 7 . 1 1 34 34 LYS C C 34 177.675 177.675 178.355 -0.680 17857 3383 1 7 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.219 1.766 17857 3384 1 7 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.255 -0.255 17857 3385 1 7 . 1 1 34 34 LYS H H 34 8.423 8.423 7.629 0.794 17857 3386 1 7 . 1 1 35 35 GLU N N 35 116.999 116.999 119.298 -2.299 17857 3387 1 7 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.084 -0.014 17857 3388 1 7 . 1 1 35 35 GLU C C 35 179.003 179.003 178.900 0.103 17857 3389 1 7 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.191 0.311 17857 3390 1 7 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.838 -0.443 17857 3391 1 7 . 1 1 35 35 GLU H H 35 7.186 7.186 7.463 -0.277 17857 3392 1 7 . 1 1 36 36 LEU N N 36 122.908 122.908 118.110 4.798 17857 3393 1 7 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.343 -0.630 17857 3394 1 7 . 1 1 36 36 LEU C C 36 178.810 178.810 178.393 0.417 17857 3395 1 7 . 1 1 36 36 LEU CA C 36 59.433 59.433 57.633 1.800 17857 3396 1 7 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.173 1.130 17857 3397 1 7 . 1 1 36 36 LEU H H 36 8.141 8.141 8.033 0.108 17857 3398 1 7 . 1 1 37 37 LEU N N 37 119.746 119.746 121.115 -1.369 17857 3399 1 7 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.838 -0.149 17857 3400 1 7 . 1 1 37 37 LEU C C 37 178.128 178.128 179.202 -1.074 17857 3401 1 7 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.667 -0.251 17857 3402 1 7 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.483 0.041 17857 3403 1 7 . 1 1 37 37 LEU H H 37 8.772 8.772 7.902 0.870 17857 3404 1 7 . 1 1 38 38 GLN N N 38 113.312 113.312 115.385 -2.073 17857 3405 1 7 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.323 -0.556 17857 3406 1 7 . 1 1 38 38 GLN C C 38 177.536 177.536 177.843 -0.307 17857 3407 1 7 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.288 0.498 17857 3408 1 7 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.840 0.174 17857 3409 1 7 . 1 1 38 38 GLN H H 38 8.082 8.082 7.806 0.276 17857 3410 1 7 . 1 1 39 39 THR N N 39 109.779 109.779 113.611 -3.832 17857 3411 1 7 . 1 1 39 39 THR HA H 39 4.312 4.312 4.178 0.134 17857 3412 1 7 . 1 1 39 39 THR C C 39 176.802 176.802 175.826 0.976 17857 3413 1 7 . 1 1 39 39 THR CA C 39 64.576 64.576 64.950 -0.374 17857 3414 1 7 . 1 1 39 39 THR CB C 39 69.847 69.847 69.019 0.828 17857 3415 1 7 . 1 1 39 39 THR H H 39 7.683 7.683 7.585 0.098 17857 3416 1 7 . 1 1 40 40 GLU N N 40 118.440 118.440 119.437 -0.997 17857 3417 1 7 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.400 0.316 17857 3418 1 7 . 1 1 40 40 GLU C C 40 177.106 177.106 177.368 -0.262 17857 3419 1 7 . 1 1 40 40 GLU CA C 40 56.922 56.922 57.265 -0.343 17857 3420 1 7 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.890 -0.628 17857 3421 1 7 . 1 1 40 40 GLU H H 40 8.971 8.971 8.497 0.474 17857 3422 1 7 . 1 1 41 41 LEU N N 41 119.219 119.219 121.995 -2.776 17857 3423 1 7 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.694 0.434 17857 3424 1 7 . 1 1 41 41 LEU C C 41 177.669 177.669 176.064 1.605 17857 3425 1 7 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.399 -1.099 17857 3426 1 7 . 1 1 41 41 LEU CB C 41 42.208 42.208 41.597 0.611 17857 3427 1 7 . 1 1 41 41 LEU H H 41 7.733 7.733 8.499 -0.766 17857 3428 1 7 . 1 1 42 42 SER N N 42 112.897 112.897 119.088 -6.191 17857 3429 1 7 . 1 1 42 42 SER HA H 42 3.880 3.880 4.582 -0.702 17857 3430 1 7 . 1 1 42 42 SER C C 42 176.429 176.429 175.794 0.635 17857 3431 1 7 . 1 1 42 42 SER CA C 42 61.867 61.867 58.867 3.000 17857 3432 1 7 . 1 1 42 42 SER CB C 42 62.864 62.864 63.796 -0.932 17857 3433 1 7 . 1 1 42 42 SER H H 42 6.915 6.915 8.457 -1.542 17857 3434 1 7 . 1 1 43 43 GLY N N 43 114.357 114.357 109.999 4.358 17857 3435 1 7 . 1 1 43 43 GLY C C 43 178.051 178.051 175.347 2.704 17857 3436 1 7 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.916 0.928 17857 3437 1 7 . 1 1 43 43 GLY H H 43 9.244 9.244 8.647 0.597 17857 3438 1 7 . 1 1 44 44 PHE N N 44 124.297 124.297 117.261 7.036 17857 3439 1 7 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.377 0.216 17857 3440 1 7 . 1 1 44 44 PHE C C 44 178.168 178.168 176.190 1.978 17857 3441 1 7 . 1 1 44 44 PHE CA C 44 57.510 57.510 58.664 -1.154 17857 3442 1 7 . 1 1 44 44 PHE CB C 44 36.143 36.143 39.074 -2.931 17857 3443 1 7 . 1 1 44 44 PHE H H 44 8.273 8.273 8.003 0.270 17857 3444 1 7 . 1 1 45 45 LEU N N 45 116.097 116.097 116.538 -0.441 17857 3445 1 7 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.189 -0.013 17857 3446 1 7 . 1 1 45 45 LEU C C 45 179.069 179.069 178.631 0.438 17857 3447 1 7 . 1 1 45 45 LEU CA C 45 57.580 57.580 56.139 1.442 17857 3448 1 7 . 1 1 45 45 LEU CB C 45 41.377 41.377 41.850 -0.473 17857 3449 1 7 . 1 1 45 45 LEU H H 45 8.559 8.559 7.618 0.941 17857 3450 1 7 . 1 1 46 46 ASP N N 46 119.849 119.849 121.739 -1.890 17857 3451 1 7 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.407 0.306 17857 3452 1 7 . 1 1 46 46 ASP C C 46 176.152 176.152 176.346 -0.194 17857 3453 1 7 . 1 1 46 46 ASP CA C 46 55.845 55.845 56.270 -0.425 17857 3454 1 7 . 1 1 46 46 ASP CB C 46 41.640 41.640 40.944 0.695 17857 3455 1 7 . 1 1 46 46 ASP H H 46 7.707 7.707 7.877 -0.170 17857 3456 1 7 . 1 1 47 47 ALA N N 47 124.027 124.027 121.667 2.360 17857 3457 1 7 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.630 -0.022 17857 3458 1 7 . 1 1 47 47 ALA C C 47 176.271 176.271 176.396 -0.125 17857 3459 1 7 . 1 1 47 47 ALA CA C 47 50.721 50.721 51.040 -0.319 17857 3460 1 7 . 1 1 47 47 ALA CB C 47 18.985 18.985 19.083 -0.098 17857 3461 1 7 . 1 1 47 47 ALA H H 47 7.710 7.710 7.677 0.033 17857 3462 1 7 . 1 1 48 48 GLN N N 48 117.138 117.138 118.528 -1.390 17857 3463 1 7 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.207 -0.092 17857 3464 1 7 . 1 1 48 48 GLN C C 48 175.907 175.907 175.706 0.201 17857 3465 1 7 . 1 1 48 48 GLN CA C 48 57.074 57.074 56.289 0.784 17857 3466 1 7 . 1 1 48 48 GLN CB C 48 30.504 30.504 28.952 1.552 17857 3467 1 7 . 1 1 48 48 GLN H H 48 7.562 7.562 7.425 0.137 17857 3468 1 7 . 1 1 49 49 LYS N N 49 121.265 121.265 125.133 -3.868 17857 3469 1 7 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.256 -0.107 17857 3470 1 7 . 1 1 49 49 LYS C C 49 176.157 176.157 176.846 -0.689 17857 3471 1 7 . 1 1 49 49 LYS CA C 49 56.337 56.337 56.796 -0.459 17857 3472 1 7 . 1 1 49 49 LYS CB C 49 31.231 31.231 33.088 -1.857 17857 3473 1 7 . 1 1 49 49 LYS H H 49 7.974 7.974 8.603 -0.629 17857 3474 1 7 . 1 1 50 50 ASP N N 50 119.019 119.019 120.173 -1.154 17857 3475 1 7 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.728 -0.046 17857 3476 1 7 . 1 1 50 50 ASP C C 50 175.466 175.466 176.407 -0.941 17857 3477 1 7 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.098 -2.288 17857 3478 1 7 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.580 -1.625 17857 3479 1 7 . 1 1 50 50 ASP H H 50 7.523 7.523 7.734 -0.211 17857 3480 1 7 . 1 1 51 51 VAL N N 51 121.906 121.906 122.553 -0.647 17857 3481 1 7 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.177 -0.316 17857 3482 1 7 . 1 1 51 51 VAL C C 51 178.158 178.158 176.463 1.695 17857 3483 1 7 . 1 1 51 51 VAL CA C 51 64.804 64.804 64.388 0.416 17857 3484 1 7 . 1 1 51 51 VAL CB C 51 31.831 31.831 32.894 -1.063 17857 3485 1 7 . 1 1 51 51 VAL H H 51 7.618 7.618 8.380 -0.762 17857 3486 1 7 . 1 1 52 52 ASP N N 52 119.692 119.692 120.581 -0.889 17857 3487 1 7 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.464 -0.105 17857 3488 1 7 . 1 1 52 52 ASP C C 52 178.427 178.427 177.937 0.490 17857 3489 1 7 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.194 0.166 17857 3490 1 7 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.866 1.055 17857 3491 1 7 . 1 1 52 52 ASP H H 52 8.081 8.081 8.698 -0.617 17857 3492 1 7 . 1 1 53 53 ALA N N 53 122.046 122.046 122.590 -0.544 17857 3493 1 7 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.148 -0.128 17857 3494 1 7 . 1 1 53 53 ALA C C 53 180.602 180.602 179.258 1.344 17857 3495 1 7 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.902 -0.172 17857 3496 1 7 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.336 0.531 17857 3497 1 7 . 1 1 53 53 ALA H H 53 7.538 7.538 8.261 -0.723 17857 3498 1 7 . 1 1 54 54 VAL N N 54 117.817 117.817 116.733 1.084 17857 3499 1 7 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.731 -0.381 17857 3500 1 7 . 1 1 54 54 VAL C C 54 177.718 177.718 177.836 -0.118 17857 3501 1 7 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.915 0.752 17857 3502 1 7 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.129 0.586 17857 3503 1 7 . 1 1 54 54 VAL H H 54 7.286 7.286 7.757 -0.471 17857 3504 1 7 . 1 1 55 55 ASP N N 55 119.601 119.601 119.621 -0.020 17857 3505 1 7 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.517 -0.230 17857 3506 1 7 . 1 1 55 55 ASP C C 55 178.508 178.508 178.043 0.465 17857 3507 1 7 . 1 1 55 55 ASP CA C 55 57.618 57.618 55.965 1.653 17857 3508 1 7 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.868 0.359 17857 3509 1 7 . 1 1 55 55 ASP H H 55 8.456 8.456 7.626 0.830 17857 3510 1 7 . 1 1 56 56 LYS N N 56 117.890 117.890 120.957 -3.067 17857 3511 1 7 . 1 1 56 56 LYS HA H 56 3.935 3.935 4.065 -0.130 17857 3512 1 7 . 1 1 56 56 LYS C C 56 179.509 179.509 178.775 0.734 17857 3513 1 7 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.055 0.834 17857 3514 1 7 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.084 0.436 17857 3515 1 7 . 1 1 56 56 LYS H H 56 7.921 7.921 7.580 0.341 17857 3516 1 7 . 1 1 57 57 VAL N N 57 119.196 119.196 118.728 0.468 17857 3517 1 7 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.732 -0.010 17857 3518 1 7 . 1 1 57 57 VAL C C 57 177.928 177.928 177.204 0.724 17857 3519 1 7 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.632 0.586 17857 3520 1 7 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.520 0.811 17857 3521 1 7 . 1 1 57 57 VAL H H 57 7.292 7.292 7.495 -0.203 17857 3522 1 7 . 1 1 58 58 MET N N 58 115.902 115.902 116.308 -0.406 17857 3523 1 7 . 1 1 58 58 MET HA H 58 4.128 4.128 4.165 -0.037 17857 3524 1 7 . 1 1 58 58 MET C C 58 178.952 178.952 178.382 0.570 17857 3525 1 7 . 1 1 58 58 MET CA C 58 57.582 57.582 57.289 0.293 17857 3526 1 7 . 1 1 58 58 MET CB C 58 31.511 31.511 30.775 0.736 17857 3527 1 7 . 1 1 58 58 MET H H 58 8.313 8.313 7.734 0.579 17857 3528 1 7 . 1 1 59 59 LYS N N 59 118.845 118.845 119.795 -0.950 17857 3529 1 7 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.977 0.095 17857 3530 1 7 . 1 1 59 59 LYS C C 59 179.149 179.149 178.363 0.786 17857 3531 1 7 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.691 -0.531 17857 3532 1 7 . 1 1 59 59 LYS CB C 59 32.545 32.545 31.987 0.558 17857 3533 1 7 . 1 1 59 59 LYS H H 59 8.563 8.563 7.872 0.691 17857 3534 1 7 . 1 1 60 60 GLU N N 60 119.868 119.868 119.421 0.447 17857 3535 1 7 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.073 -0.041 17857 3536 1 7 . 1 1 60 60 GLU C C 60 179.083 179.083 178.945 0.138 17857 3537 1 7 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.180 0.586 17857 3538 1 7 . 1 1 60 60 GLU CB C 60 28.757 28.757 28.994 -0.237 17857 3539 1 7 . 1 1 60 60 GLU H H 60 7.467 7.467 7.529 -0.062 17857 3540 1 7 . 1 1 61 61 LEU N N 61 116.866 116.866 119.014 -2.148 17857 3541 1 7 . 1 1 61 61 LEU HA H 61 3.967 3.967 3.943 0.024 17857 3542 1 7 . 1 1 61 61 LEU C C 61 177.870 177.870 178.393 -0.523 17857 3543 1 7 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.808 -0.557 17857 3544 1 7 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.811 -1.041 17857 3545 1 7 . 1 1 61 61 LEU H H 61 7.597 7.597 7.416 0.181 17857 3546 1 7 . 1 1 62 62 ASP N N 62 115.773 115.773 117.393 -1.620 17857 3547 1 7 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.369 0.118 17857 3548 1 7 . 1 1 62 62 ASP C C 62 178.871 178.871 178.122 0.749 17857 3549 1 7 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.571 -0.450 17857 3550 1 7 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.871 0.955 17857 3551 1 7 . 1 1 62 62 ASP H H 62 7.509 7.509 7.640 -0.131 17857 3552 1 7 . 1 1 63 63 GLU N N 63 119.120 119.120 118.546 0.574 17857 3553 1 7 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.156 -0.025 17857 3554 1 7 . 1 1 63 63 GLU C C 63 176.937 176.937 177.554 -0.617 17857 3555 1 7 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.027 0.026 17857 3556 1 7 . 1 1 63 63 GLU CB C 63 30.119 30.119 29.937 0.182 17857 3557 1 7 . 1 1 63 63 GLU H H 63 8.068 8.068 7.910 0.158 17857 3558 1 7 . 1 1 64 64 ASN N N 64 117.779 117.779 116.260 1.519 17857 3559 1 7 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.744 0.378 17857 3560 1 7 . 1 1 64 64 ASN C C 64 176.299 176.299 176.183 0.116 17857 3561 1 7 . 1 1 64 64 ASN CA C 64 52.221 52.221 53.167 -0.946 17857 3562 1 7 . 1 1 64 64 ASN CB C 64 38.943 38.943 40.022 -1.079 17857 3563 1 7 . 1 1 64 64 ASN H H 64 7.719 7.719 7.895 -0.176 17857 3564 1 7 . 1 1 65 65 GLY N N 65 106.860 106.860 106.122 0.738 17857 3565 1 7 . 1 1 65 65 GLY C C 65 174.113 174.113 172.750 1.363 17857 3566 1 7 . 1 1 65 65 GLY CA C 65 47.965 47.965 45.491 2.474 17857 3567 1 7 . 1 1 65 65 GLY H H 65 7.705 7.705 8.409 -0.704 17857 3568 1 7 . 1 1 66 66 ASP N N 66 115.761 115.761 117.906 -2.145 17857 3569 1 7 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.737 0.100 17857 3570 1 7 . 1 1 66 66 ASP C C 66 177.865 177.865 174.932 2.933 17857 3571 1 7 . 1 1 66 66 ASP CA C 66 54.199 54.199 53.141 1.058 17857 3572 1 7 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.409 -0.625 17857 3573 1 7 . 1 1 66 66 ASP H H 66 8.266 8.266 7.898 0.368 17857 3574 1 7 . 1 1 67 67 GLY N N 67 109.034 109.034 107.586 1.448 17857 3575 1 7 . 1 1 67 67 GLY C C 67 172.364 172.364 172.501 -0.137 17857 3576 1 7 . 1 1 67 67 GLY CA C 67 45.136 45.136 45.475 -0.339 17857 3577 1 7 . 1 1 67 67 GLY H H 67 8.237 8.237 7.738 0.499 17857 3578 1 7 . 1 1 68 68 GLU N N 68 117.964 117.964 117.880 0.084 17857 3579 1 7 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.151 0.018 17857 3580 1 7 . 1 1 68 68 GLU C C 68 176.201 176.201 175.741 0.460 17857 3581 1 7 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.307 0.021 17857 3582 1 7 . 1 1 68 68 GLU CB C 68 33.900 33.900 33.494 0.406 17857 3583 1 7 . 1 1 68 68 GLU H H 68 8.415 8.415 8.297 0.118 17857 3584 1 7 . 1 1 69 69 VAL N N 69 116.232 116.232 116.294 -0.062 17857 3585 1 7 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.941 -0.040 17857 3586 1 7 . 1 1 69 69 VAL C C 69 174.378 174.378 174.562 -0.184 17857 3587 1 7 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.975 -0.424 17857 3588 1 7 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.639 -0.541 17857 3589 1 7 . 1 1 69 69 VAL H H 69 9.134 9.134 8.775 0.359 17857 3590 1 7 . 1 1 70 70 ASP N N 70 121.337 121.337 121.097 0.240 17857 3591 1 7 . 1 1 70 70 ASP HA H 70 5.531 5.531 5.084 0.447 17857 3592 1 7 . 1 1 70 70 ASP C C 70 176.081 176.081 176.795 -0.714 17857 3593 1 7 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.169 -0.854 17857 3594 1 7 . 1 1 70 70 ASP CB C 70 42.873 42.873 43.766 -0.893 17857 3595 1 7 . 1 1 70 70 ASP H H 70 8.233 8.233 8.164 0.069 17857 3596 1 7 . 1 1 71 71 PHE N N 71 119.131 119.131 120.597 -1.466 17857 3597 1 7 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.571 -0.122 17857 3598 1 7 . 1 1 71 71 PHE C C 71 176.693 176.693 176.978 -0.285 17857 3599 1 7 . 1 1 71 71 PHE CA C 71 61.576 61.576 62.037 -0.461 17857 3600 1 7 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.266 1.202 17857 3601 1 7 . 1 1 71 71 PHE H H 71 9.370 9.370 8.939 0.431 17857 3602 1 7 . 1 1 72 72 GLN N N 72 116.462 116.462 117.628 -1.166 17857 3603 1 7 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.785 -0.347 17857 3604 1 7 . 1 1 72 72 GLN C C 72 177.396 177.396 177.969 -0.573 17857 3605 1 7 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.187 1.581 17857 3606 1 7 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.259 0.524 17857 3607 1 7 . 1 1 72 72 GLN H H 72 8.096 8.096 8.208 -0.112 17857 3608 1 7 . 1 1 73 73 GLU N N 73 119.541 119.541 119.077 0.464 17857 3609 1 7 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.079 -0.092 17857 3610 1 7 . 1 1 73 73 GLU C C 73 178.861 178.861 178.584 0.277 17857 3611 1 7 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.874 0.405 17857 3612 1 7 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.307 0.999 17857 3613 1 7 . 1 1 73 73 GLU H H 73 8.139 8.139 8.456 -0.317 17857 3614 1 7 . 1 1 74 74 TYR N N 74 122.065 122.065 121.035 1.030 17857 3615 1 7 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.183 0.139 17857 3616 1 7 . 1 1 74 74 TYR C C 74 175.562 175.562 177.263 -1.701 17857 3617 1 7 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.237 -0.910 17857 3618 1 7 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.707 -1.840 17857 3619 1 7 . 1 1 74 74 TYR H H 74 8.157 8.157 8.192 -0.035 17857 3620 1 7 . 1 1 75 75 VAL N N 75 119.872 119.872 115.722 4.150 17857 3621 1 7 . 1 1 75 75 VAL HA H 75 2.670 2.670 2.922 -0.252 17857 3622 1 7 . 1 1 75 75 VAL C C 75 177.425 177.425 177.523 -0.098 17857 3623 1 7 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.574 1.427 17857 3624 1 7 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.790 -0.089 17857 3625 1 7 . 1 1 75 75 VAL H H 75 7.915 7.915 7.571 0.344 17857 3626 1 7 . 1 1 76 76 VAL N N 76 119.169 119.169 120.048 -0.879 17857 3627 1 7 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.499 -0.149 17857 3628 1 7 . 1 1 76 76 VAL C C 76 178.933 178.933 178.015 0.918 17857 3629 1 7 . 1 1 76 76 VAL CA C 76 66.800 66.800 66.134 0.666 17857 3630 1 7 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.494 0.106 17857 3631 1 7 . 1 1 76 76 VAL H H 76 7.545 7.545 7.115 0.430 17857 3632 1 7 . 1 1 77 77 LEU N N 77 121.356 121.356 118.987 2.369 17857 3633 1 7 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.962 0.217 17857 3634 1 7 . 1 1 77 77 LEU C C 77 179.226 179.226 178.643 0.583 17857 3635 1 7 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.536 0.737 17857 3636 1 7 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.612 0.380 17857 3637 1 7 . 1 1 77 77 LEU H H 77 7.789 7.789 7.244 0.545 17857 3638 1 7 . 1 1 78 78 VAL N N 78 119.358 119.358 118.540 0.818 17857 3639 1 7 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.562 -0.109 17857 3640 1 7 . 1 1 78 78 VAL C C 78 180.653 180.653 177.339 3.314 17857 3641 1 7 . 1 1 78 78 VAL CA C 78 67.253 67.253 66.007 1.246 17857 3642 1 7 . 1 1 78 78 VAL CB C 78 31.392 31.392 31.026 0.366 17857 3643 1 7 . 1 1 78 78 VAL H H 78 8.350 8.350 7.434 0.916 17857 3644 1 7 . 1 1 79 79 ALA N N 79 125.018 125.018 120.298 4.720 17857 3645 1 7 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.115 -0.077 17857 3646 1 7 . 1 1 79 79 ALA C C 79 178.321 178.321 178.609 -0.288 17857 3647 1 7 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.622 2.459 17857 3648 1 7 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.495 -0.206 17857 3649 1 7 . 1 1 79 79 ALA H H 79 9.009 9.009 7.432 1.577 17857 3650 1 7 . 1 1 80 80 ALA N N 80 121.933 121.933 123.311 -1.378 17857 3651 1 7 . 1 1 80 80 ALA HA H 80 4.003 4.003 4.011 -0.008 17857 3652 1 7 . 1 1 80 80 ALA C C 80 181.548 181.548 179.205 2.343 17857 3653 1 7 . 1 1 80 80 ALA CA C 80 55.419 55.419 55.127 0.291 17857 3654 1 7 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.082 -0.413 17857 3655 1 7 . 1 1 80 80 ALA H H 80 8.311 8.311 7.425 0.886 17857 3656 1 7 . 1 1 81 81 LEU N N 81 117.563 117.563 113.942 3.621 17857 3657 1 7 . 1 1 81 81 LEU HA H 81 4.033 4.033 4.026 0.007 17857 3658 1 7 . 1 1 81 81 LEU C C 81 178.536 178.536 178.408 0.128 17857 3659 1 7 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.071 0.592 17857 3660 1 7 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.205 0.748 17857 3661 1 7 . 1 1 81 81 LEU H H 81 8.056 8.056 7.479 0.577 17857 3662 1 7 . 1 1 82 82 THR N N 82 117.473 117.473 116.697 0.776 17857 3663 1 7 . 1 1 82 82 THR HA H 82 3.669 3.669 3.359 0.310 17857 3664 1 7 . 1 1 82 82 THR C C 82 176.658 176.658 176.530 0.128 17857 3665 1 7 . 1 1 82 82 THR CA C 82 68.836 68.836 66.304 2.532 17857 3666 1 7 . 1 1 82 82 THR CB C 82 67.515 67.515 68.183 -0.668 17857 3667 1 7 . 1 1 82 82 THR H H 82 8.299 8.299 7.271 1.028 17857 3668 1 7 . 1 1 83 83 VAL N N 83 121.111 121.111 120.894 0.217 17857 3669 1 7 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.836 -0.710 17857 3670 1 7 . 1 1 83 83 VAL C C 83 176.323 176.323 176.721 -0.398 17857 3671 1 7 . 1 1 83 83 VAL CA C 83 65.247 65.247 65.420 -0.173 17857 3672 1 7 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.171 -0.149 17857 3673 1 7 . 1 1 83 83 VAL H H 83 7.953 7.953 7.928 0.025 17857 3674 1 7 . 1 1 84 84 ALA N N 84 117.068 117.068 120.053 -2.985 17857 3675 1 7 . 1 1 84 84 ALA HA H 84 4.573 4.573 3.999 0.574 17857 3676 1 7 . 1 1 84 84 ALA C C 84 177.919 177.919 178.386 -0.467 17857 3677 1 7 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.858 -0.838 17857 3678 1 7 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.746 2.197 17857 3679 1 7 . 1 1 84 84 ALA H H 84 7.105 7.105 7.509 -0.404 17857 3680 1 7 . 1 1 85 85 CYS N N 85 112.195 112.195 115.840 -3.645 17857 3681 1 7 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.288 0.252 17857 3682 1 7 . 1 1 85 85 CYS C C 85 173.282 173.282 175.026 -1.744 17857 3683 1 7 . 1 1 85 85 CYS CA C 85 60.342 60.342 58.536 1.806 17857 3684 1 7 . 1 1 85 85 CYS CB C 85 32.440 32.440 28.375 4.064 17857 3685 1 7 . 1 1 85 85 CYS H H 85 7.371 7.371 7.435 -0.064 17857 3686 1 7 . 1 1 86 86 ASN N N 86 118.815 118.815 121.084 -2.269 17857 3687 1 7 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.541 -0.044 17857 3688 1 7 . 1 1 86 86 ASN CA C 86 54.737 54.737 55.137 -0.400 17857 3689 1 7 . 1 1 86 86 ASN CB C 86 42.130 42.130 39.142 2.989 17857 3690 1 7 . 1 1 86 86 ASN H H 86 8.347 8.347 7.759 0.588 17857 3691 1 7 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.317 0.008 17857 3692 1 7 . 1 1 87 87 ASN C C 87 176.216 176.216 174.280 1.936 17857 3693 1 7 . 1 1 87 87 ASN CA C 87 56.570 56.570 52.253 4.317 17857 3694 1 7 . 1 1 87 87 ASN CB C 87 38.479 38.479 39.568 -1.089 17857 3695 1 7 . 1 1 88 88 PHE N N 88 120.522 120.522 123.276 -2.754 17857 3696 1 7 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.427 -0.330 17857 3697 1 7 . 1 1 88 88 PHE C C 88 176.803 176.803 175.369 1.434 17857 3698 1 7 . 1 1 88 88 PHE CA C 88 61.023 61.023 60.327 0.696 17857 3699 1 7 . 1 1 88 88 PHE CB C 88 39.682 39.682 40.341 -0.659 17857 3700 1 7 . 1 1 88 88 PHE H H 88 8.642 8.642 7.666 0.976 17857 3701 1 7 . 1 1 89 89 PHE N N 89 112.727 112.727 113.879 -1.152 17857 3702 1 7 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.631 -0.828 17857 3703 1 7 . 1 1 89 89 PHE C C 89 173.691 173.691 175.572 -1.881 17857 3704 1 7 . 1 1 89 89 PHE CA C 89 59.208 59.208 57.981 1.226 17857 3705 1 7 . 1 1 89 89 PHE CB C 89 39.029 39.029 37.086 1.944 17857 3706 1 7 . 1 1 89 89 PHE H H 89 7.408 7.408 8.237 -0.829 17857 3707 1 7 . 1 1 90 90 TRP N N 90 118.731 118.731 119.939 -1.208 17857 3708 1 7 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.688 -0.098 17857 3709 1 7 . 1 1 90 90 TRP C C 90 175.269 175.269 176.670 -1.401 17857 3710 1 7 . 1 1 90 90 TRP CA C 90 56.840 56.840 58.625 -1.785 17857 3711 1 7 . 1 1 90 90 TRP CB C 90 31.400 31.400 29.607 1.793 17857 3712 1 7 . 1 1 90 90 TRP H H 90 7.359 7.359 7.532 -0.173 17857 3713 1 7 . 1 1 91 91 GLU N N 91 121.302 121.302 119.289 2.013 17857 3714 1 7 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.355 -0.013 17857 3715 1 7 . 1 1 91 91 GLU C C 91 176.081 176.081 175.843 0.238 17857 3716 1 7 . 1 1 91 91 GLU CA C 91 56.857 56.857 56.705 0.152 17857 3717 1 7 . 1 1 91 91 GLU CB C 91 30.548 30.548 30.096 0.452 17857 3718 1 7 . 1 1 91 91 GLU H H 91 7.766 7.766 8.001 -0.235 17857 3719 1 7 . 1 1 92 92 ASN N N 92 120.522 120.522 118.451 2.071 17857 3720 1 7 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.429 0.338 17857 3721 1 7 . 1 1 92 92 ASN C C 92 174.283 174.283 175.171 -0.888 17857 3722 1 7 . 1 1 92 92 ASN CA C 92 53.407 53.407 53.815 -0.408 17857 3723 1 7 . 1 1 92 92 ASN CB C 92 39.276 39.276 37.356 1.920 17857 3724 1 7 . 1 1 92 92 ASN H H 92 8.462 8.462 8.740 -0.278 17857 3725 1 8 . 1 1 2 2 SER N N 2 118.698 118.698 114.651 4.047 17857 3726 1 8 . 1 1 2 2 SER HA H 2 4.691 4.691 4.743 -0.052 17857 3727 1 8 . 1 1 2 2 SER C C 2 175.496 175.496 174.511 0.985 17857 3728 1 8 . 1 1 2 2 SER CA C 2 57.481 57.481 56.899 0.582 17857 3729 1 8 . 1 1 2 2 SER CB C 2 65.371 65.371 65.674 -0.303 17857 3730 1 8 . 1 1 2 2 SER H H 2 9.211 9.211 8.174 1.037 17857 3731 1 8 . 1 1 3 3 GLU N N 3 122.860 122.860 120.900 1.960 17857 3732 1 8 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.075 0.040 17857 3733 1 8 . 1 1 3 3 GLU C C 3 179.171 179.171 178.344 0.827 17857 3734 1 8 . 1 1 3 3 GLU CA C 3 60.757 60.757 59.594 1.163 17857 3735 1 8 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.314 -0.275 17857 3736 1 8 . 1 1 3 3 GLU H H 3 9.205 9.205 8.859 0.346 17857 3737 1 8 . 1 1 4 4 LEU N N 4 120.718 120.718 120.832 -0.114 17857 3738 1 8 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.186 -0.150 17857 3739 1 8 . 1 1 4 4 LEU C C 4 178.360 178.360 178.558 -0.198 17857 3740 1 8 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.683 0.228 17857 3741 1 8 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.438 0.924 17857 3742 1 8 . 1 1 4 4 LEU H H 4 8.854 8.854 7.898 0.956 17857 3743 1 8 . 1 1 5 5 GLU N N 5 118.542 118.542 118.670 -0.128 17857 3744 1 8 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.952 -0.697 17857 3745 1 8 . 1 1 5 5 GLU C C 5 179.204 179.204 179.189 0.015 17857 3746 1 8 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.543 0.274 17857 3747 1 8 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.611 -0.408 17857 3748 1 8 . 1 1 5 5 GLU H H 5 7.791 7.791 8.045 -0.254 17857 3749 1 8 . 1 1 6 6 THR N N 6 115.783 115.783 114.018 1.765 17857 3750 1 8 . 1 1 6 6 THR HA H 6 4.017 4.017 4.258 -0.241 17857 3751 1 8 . 1 1 6 6 THR C C 6 176.807 176.807 175.977 0.830 17857 3752 1 8 . 1 1 6 6 THR CA C 6 66.668 66.668 64.743 1.925 17857 3753 1 8 . 1 1 6 6 THR CB C 6 68.763 68.763 68.772 -0.008 17857 3754 1 8 . 1 1 6 6 THR H H 6 8.371 8.371 8.310 0.061 17857 3755 1 8 . 1 1 7 7 ALA N N 7 125.707 125.707 124.168 1.539 17857 3756 1 8 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.018 0.254 17857 3757 1 8 . 1 1 7 7 ALA C C 7 179.856 179.856 179.648 0.208 17857 3758 1 8 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.421 0.281 17857 3759 1 8 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.209 0.021 17857 3760 1 8 . 1 1 7 7 ALA H H 7 8.267 8.267 7.591 0.676 17857 3761 1 8 . 1 1 8 8 MET N N 8 115.222 115.222 116.336 -1.114 17857 3762 1 8 . 1 1 8 8 MET HA H 8 4.858 4.858 4.371 0.487 17857 3763 1 8 . 1 1 8 8 MET C C 8 179.635 179.635 178.769 0.866 17857 3764 1 8 . 1 1 8 8 MET CA C 8 56.669 56.669 56.636 0.033 17857 3765 1 8 . 1 1 8 8 MET CB C 8 29.136 29.136 31.383 -2.247 17857 3766 1 8 . 1 1 8 8 MET H H 8 8.106 8.106 7.783 0.323 17857 3767 1 8 . 1 1 9 9 GLU N N 9 120.456 120.456 120.131 0.325 17857 3768 1 8 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.071 0.044 17857 3769 1 8 . 1 1 9 9 GLU C C 9 179.531 179.531 179.314 0.217 17857 3770 1 8 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.241 1.390 17857 3771 1 8 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.317 -0.340 17857 3772 1 8 . 1 1 9 9 GLU H H 9 8.658 8.658 7.756 0.902 17857 3773 1 8 . 1 1 10 10 THR N N 10 118.547 118.547 116.279 2.268 17857 3774 1 8 . 1 1 10 10 THR HA H 10 4.116 4.116 4.197 -0.081 17857 3775 1 8 . 1 1 10 10 THR C C 10 175.942 175.942 176.180 -0.238 17857 3776 1 8 . 1 1 10 10 THR CA C 10 67.521 67.521 66.087 1.434 17857 3777 1 8 . 1 1 10 10 THR CB C 10 67.933 67.933 68.683 -0.750 17857 3778 1 8 . 1 1 10 10 THR H H 10 8.417 8.417 8.083 0.334 17857 3779 1 8 . 1 1 11 11 LEU N N 11 121.715 121.715 122.808 -1.093 17857 3780 1 8 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.250 -0.183 17857 3781 1 8 . 1 1 11 11 LEU C C 11 181.784 181.784 178.807 2.977 17857 3782 1 8 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.428 2.015 17857 3783 1 8 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.250 -0.257 17857 3784 1 8 . 1 1 11 11 LEU H H 11 8.324 8.324 7.495 0.829 17857 3785 1 8 . 1 1 12 12 ILE N N 12 121.081 121.081 119.189 1.892 17857 3786 1 8 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.733 -0.169 17857 3787 1 8 . 1 1 12 12 ILE C C 12 176.221 176.221 177.064 -0.843 17857 3788 1 8 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.624 1.554 17857 3789 1 8 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.615 0.779 17857 3790 1 8 . 1 1 12 12 ILE H H 12 8.419 8.419 8.320 0.099 17857 3791 1 8 . 1 1 13 13 ASN N N 13 120.254 120.254 118.312 1.942 17857 3792 1 8 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.477 -0.107 17857 3793 1 8 . 1 1 13 13 ASN C C 13 179.124 179.124 176.842 2.282 17857 3794 1 8 . 1 1 13 13 ASN CA C 13 56.615 56.615 55.776 0.839 17857 3795 1 8 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.202 -0.047 17857 3796 1 8 . 1 1 13 13 ASN H H 13 8.593 8.593 7.873 0.720 17857 3797 1 8 . 1 1 14 14 VAL N N 14 121.599 121.599 118.146 3.453 17857 3798 1 8 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.690 0.166 17857 3799 1 8 . 1 1 14 14 VAL C C 14 177.155 177.155 177.081 0.074 17857 3800 1 8 . 1 1 14 14 VAL CA C 14 66.705 66.705 64.794 1.911 17857 3801 1 8 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.971 -0.087 17857 3802 1 8 . 1 1 14 14 VAL H H 14 8.838 8.838 7.519 1.319 17857 3803 1 8 . 1 1 15 15 PHE N N 15 120.139 120.139 122.834 -2.695 17857 3804 1 8 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.887 -0.288 17857 3805 1 8 . 1 1 15 15 PHE C C 15 177.601 177.601 176.422 1.179 17857 3806 1 8 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.086 0.313 17857 3807 1 8 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.231 0.401 17857 3808 1 8 . 1 1 15 15 PHE H H 15 7.456 7.456 7.819 -0.363 17857 3809 1 8 . 1 1 16 16 HIS N N 16 118.175 118.175 117.223 0.952 17857 3810 1 8 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.257 0.886 17857 3811 1 8 . 1 1 16 16 HIS C C 16 177.972 177.972 177.169 0.803 17857 3812 1 8 . 1 1 16 16 HIS CA C 16 55.795 55.795 57.396 -1.601 17857 3813 1 8 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.431 1.896 17857 3814 1 8 . 1 1 16 16 HIS H H 16 9.137 9.137 8.248 0.889 17857 3815 1 8 . 1 1 17 17 ALA N N 17 121.734 121.734 122.121 -0.387 17857 3816 1 8 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.013 -0.193 17857 3817 1 8 . 1 1 17 17 ALA C C 17 178.713 178.713 178.466 0.247 17857 3818 1 8 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.268 0.349 17857 3819 1 8 . 1 1 17 17 ALA CB C 17 17.700 17.700 17.925 -0.225 17857 3820 1 8 . 1 1 17 17 ALA H H 17 8.133 8.133 7.146 0.987 17857 3821 1 8 . 1 1 18 18 HIS N N 18 113.408 113.408 115.709 -2.301 17857 3822 1 8 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.630 -0.310 17857 3823 1 8 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.064 0.773 17857 3824 1 8 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.398 2.251 17857 3825 1 8 . 1 1 18 18 HIS H H 18 7.286 7.286 7.472 -0.186 17857 3826 1 8 . 1 1 19 19 SER N N 19 120.877 120.877 115.950 4.927 17857 3827 1 8 . 1 1 19 19 SER HA H 19 4.124 4.124 4.051 0.073 17857 3828 1 8 . 1 1 19 19 SER C C 19 176.676 176.676 175.543 1.133 17857 3829 1 8 . 1 1 19 19 SER CA C 19 60.979 60.979 60.755 0.224 17857 3830 1 8 . 1 1 19 19 SER CB C 19 61.813 61.813 63.028 -1.215 17857 3831 1 8 . 1 1 19 19 SER H H 19 9.322 9.322 7.844 1.478 17857 3832 1 8 . 1 1 20 20 GLY N N 20 107.206 107.206 107.056 0.150 17857 3833 1 8 . 1 1 20 20 GLY C C 20 174.913 174.913 173.483 1.430 17857 3834 1 8 . 1 1 20 20 GLY CA C 20 45.281 45.281 44.485 0.796 17857 3835 1 8 . 1 1 20 20 GLY H H 20 8.233 8.233 7.563 0.670 17857 3836 1 8 . 1 1 21 21 LYS N N 21 118.717 118.717 120.705 -1.988 17857 3837 1 8 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.443 -0.402 17857 3838 1 8 . 1 1 21 21 LYS C C 21 176.623 176.623 176.417 0.206 17857 3839 1 8 . 1 1 21 21 LYS CA C 21 58.185 58.185 56.164 2.021 17857 3840 1 8 . 1 1 21 21 LYS CB C 21 33.157 33.157 33.224 -0.067 17857 3841 1 8 . 1 1 21 21 LYS H H 21 7.333 7.333 7.548 -0.215 17857 3842 1 8 . 1 1 22 22 GLU N N 22 116.257 116.257 118.988 -2.731 17857 3843 1 8 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.426 0.015 17857 3844 1 8 . 1 1 22 22 GLU C C 22 175.554 175.554 177.467 -1.913 17857 3845 1 8 . 1 1 22 22 GLU CA C 22 55.488 55.488 56.997 -1.509 17857 3846 1 8 . 1 1 22 22 GLU CB C 22 31.892 31.892 31.103 0.789 17857 3847 1 8 . 1 1 22 22 GLU H H 22 7.603 7.603 8.244 -0.641 17857 3848 1 8 . 1 1 23 23 GLY N N 23 108.614 108.614 108.417 0.197 17857 3849 1 8 . 1 1 23 23 GLY C C 23 173.976 173.976 174.022 -0.046 17857 3850 1 8 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.297 1.727 17857 3851 1 8 . 1 1 23 23 GLY H H 23 8.261 8.261 7.504 0.757 17857 3852 1 8 . 1 1 24 24 ASP N N 24 124.252 124.252 119.760 4.492 17857 3853 1 8 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.421 0.138 17857 3854 1 8 . 1 1 24 24 ASP C C 24 177.376 177.376 176.877 0.499 17857 3855 1 8 . 1 1 24 24 ASP CA C 24 53.824 53.824 56.566 -2.742 17857 3856 1 8 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.588 1.104 17857 3857 1 8 . 1 1 24 24 ASP H H 24 8.313 8.313 8.184 0.129 17857 3858 1 8 . 1 1 25 25 LYS N N 25 125.006 125.006 116.056 8.950 17857 3859 1 8 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.514 -0.377 17857 3860 1 8 . 1 1 25 25 LYS C C 25 175.980 175.980 177.749 -1.769 17857 3861 1 8 . 1 1 25 25 LYS CA C 25 57.436 57.436 56.919 0.517 17857 3862 1 8 . 1 1 25 25 LYS CB C 25 32.345 32.345 34.307 -1.962 17857 3863 1 8 . 1 1 25 25 LYS H H 25 8.327 8.327 8.233 0.094 17857 3864 1 8 . 1 1 26 26 TYR N N 26 117.300 117.300 117.653 -0.353 17857 3865 1 8 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.589 0.497 17857 3866 1 8 . 1 1 26 26 TYR C C 26 175.592 175.592 175.507 0.085 17857 3867 1 8 . 1 1 26 26 TYR CA C 26 57.552 57.552 59.166 -1.614 17857 3868 1 8 . 1 1 26 26 TYR CB C 26 38.052 38.052 40.393 -2.341 17857 3869 1 8 . 1 1 26 26 TYR H H 26 8.490 8.490 7.984 0.506 17857 3870 1 8 . 1 1 27 27 LYS N N 27 117.820 117.820 117.879 -0.059 17857 3871 1 8 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.872 0.631 17857 3872 1 8 . 1 1 27 27 LYS C C 27 174.259 174.259 173.934 0.325 17857 3873 1 8 . 1 1 27 27 LYS CA C 27 54.094 54.094 55.051 -0.957 17857 3874 1 8 . 1 1 27 27 LYS CB C 27 37.626 37.626 37.019 0.607 17857 3875 1 8 . 1 1 27 27 LYS H H 27 7.793 7.793 7.603 0.190 17857 3876 1 8 . 1 1 28 28 LEU N N 28 120.282 120.282 120.986 -0.704 17857 3877 1 8 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.651 0.097 17857 3878 1 8 . 1 1 28 28 LEU C C 28 176.038 176.038 175.314 0.724 17857 3879 1 8 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.109 -0.068 17857 3880 1 8 . 1 1 28 28 LEU CB C 28 46.382 46.382 45.644 0.738 17857 3881 1 8 . 1 1 28 28 LEU H H 28 8.692 8.692 8.390 0.302 17857 3882 1 8 . 1 1 29 29 SER N N 29 119.669 119.669 116.290 3.379 17857 3883 1 8 . 1 1 29 29 SER HA H 29 5.121 5.121 4.768 0.353 17857 3884 1 8 . 1 1 29 29 SER C C 29 175.936 175.936 175.494 0.442 17857 3885 1 8 . 1 1 29 29 SER CA C 29 57.760 57.760 57.532 0.227 17857 3886 1 8 . 1 1 29 29 SER CB C 29 64.689 64.689 65.019 -0.330 17857 3887 1 8 . 1 1 29 29 SER H H 29 8.797 8.797 8.555 0.242 17857 3888 1 8 . 1 1 30 30 LYS N N 30 124.194 124.194 123.872 0.322 17857 3889 1 8 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.120 -0.259 17857 3890 1 8 . 1 1 30 30 LYS C C 30 178.523 178.523 178.355 0.168 17857 3891 1 8 . 1 1 30 30 LYS CA C 30 61.591 61.591 59.839 1.752 17857 3892 1 8 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.207 -0.203 17857 3893 1 8 . 1 1 30 30 LYS H H 30 8.842 8.842 8.894 -0.052 17857 3894 1 8 . 1 1 31 31 LYS N N 31 119.922 119.922 118.519 1.403 17857 3895 1 8 . 1 1 31 31 LYS HA H 31 4.157 4.157 3.970 0.187 17857 3896 1 8 . 1 1 31 31 LYS C C 31 179.293 179.293 179.042 0.251 17857 3897 1 8 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.328 0.098 17857 3898 1 8 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.029 0.557 17857 3899 1 8 . 1 1 31 31 LYS H H 31 8.786 8.786 8.333 0.453 17857 3900 1 8 . 1 1 32 32 GLN N N 32 119.859 119.859 116.794 3.065 17857 3901 1 8 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.199 -0.082 17857 3902 1 8 . 1 1 32 32 GLN C C 32 179.272 179.272 177.812 1.460 17857 3903 1 8 . 1 1 32 32 GLN CA C 32 58.178 58.178 57.673 0.505 17857 3904 1 8 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.929 -0.109 17857 3905 1 8 . 1 1 32 32 GLN H H 32 7.769 7.769 7.604 0.165 17857 3906 1 8 . 1 1 33 33 LEU N N 33 122.146 122.146 122.552 -0.406 17857 3907 1 8 . 1 1 33 33 LEU HA H 33 4.045 4.045 4.023 0.022 17857 3908 1 8 . 1 1 33 33 LEU C C 33 177.408 177.408 178.255 -0.847 17857 3909 1 8 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.384 -1.049 17857 3910 1 8 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.861 -1.314 17857 3911 1 8 . 1 1 33 33 LEU H H 33 8.918 8.918 7.646 1.272 17857 3912 1 8 . 1 1 34 34 LYS N N 34 120.726 120.726 117.374 3.352 17857 3913 1 8 . 1 1 34 34 LYS HA H 34 3.626 3.626 4.075 -0.449 17857 3914 1 8 . 1 1 34 34 LYS C C 34 177.675 177.675 178.721 -1.046 17857 3915 1 8 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.102 1.883 17857 3916 1 8 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.286 -0.286 17857 3917 1 8 . 1 1 34 34 LYS H H 34 8.423 8.423 7.785 0.638 17857 3918 1 8 . 1 1 35 35 GLU N N 35 116.999 116.999 119.952 -2.953 17857 3919 1 8 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.104 -0.034 17857 3920 1 8 . 1 1 35 35 GLU C C 35 179.003 179.003 178.882 0.121 17857 3921 1 8 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.237 0.265 17857 3922 1 8 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.996 -0.601 17857 3923 1 8 . 1 1 35 35 GLU H H 35 7.186 7.186 7.813 -0.627 17857 3924 1 8 . 1 1 36 36 LEU N N 36 122.908 122.908 118.413 4.495 17857 3925 1 8 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.219 -0.506 17857 3926 1 8 . 1 1 36 36 LEU C C 36 178.810 178.810 178.423 0.387 17857 3927 1 8 . 1 1 36 36 LEU CA C 36 59.433 59.433 57.989 1.444 17857 3928 1 8 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.238 1.065 17857 3929 1 8 . 1 1 36 36 LEU H H 36 8.141 8.141 8.700 -0.559 17857 3930 1 8 . 1 1 37 37 LEU N N 37 119.746 119.746 120.917 -1.171 17857 3931 1 8 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.936 -0.247 17857 3932 1 8 . 1 1 37 37 LEU C C 37 178.128 178.128 179.368 -1.240 17857 3933 1 8 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.467 -0.051 17857 3934 1 8 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.497 0.026 17857 3935 1 8 . 1 1 37 37 LEU H H 37 8.772 8.772 7.823 0.949 17857 3936 1 8 . 1 1 38 38 GLN N N 38 113.312 113.312 117.302 -3.990 17857 3937 1 8 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.094 -0.327 17857 3938 1 8 . 1 1 38 38 GLN C C 38 177.536 177.536 178.157 -0.621 17857 3939 1 8 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.522 0.265 17857 3940 1 8 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.732 0.282 17857 3941 1 8 . 1 1 38 38 GLN H H 38 8.082 8.082 7.919 0.163 17857 3942 1 8 . 1 1 39 39 THR N N 39 109.779 109.779 114.972 -5.193 17857 3943 1 8 . 1 1 39 39 THR HA H 39 4.312 4.312 4.076 0.236 17857 3944 1 8 . 1 1 39 39 THR C C 39 176.802 176.802 176.045 0.757 17857 3945 1 8 . 1 1 39 39 THR CA C 39 64.576 64.576 65.383 -0.807 17857 3946 1 8 . 1 1 39 39 THR CB C 39 69.847 69.847 68.923 0.924 17857 3947 1 8 . 1 1 39 39 THR H H 39 7.683 7.683 7.689 -0.006 17857 3948 1 8 . 1 1 40 40 GLU N N 40 118.440 118.440 119.807 -1.367 17857 3949 1 8 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.200 0.516 17857 3950 1 8 . 1 1 40 40 GLU C C 40 177.106 177.106 178.077 -0.971 17857 3951 1 8 . 1 1 40 40 GLU CA C 40 56.922 56.922 58.658 -1.736 17857 3952 1 8 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.214 0.048 17857 3953 1 8 . 1 1 40 40 GLU H H 40 8.971 8.971 8.374 0.597 17857 3954 1 8 . 1 1 41 41 LEU N N 41 119.219 119.219 118.276 0.943 17857 3955 1 8 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.371 0.757 17857 3956 1 8 . 1 1 41 41 LEU C C 41 177.669 177.669 177.478 0.191 17857 3957 1 8 . 1 1 41 41 LEU CA C 41 53.300 53.300 55.889 -2.589 17857 3958 1 8 . 1 1 41 41 LEU CB C 41 42.208 42.208 43.104 -0.896 17857 3959 1 8 . 1 1 41 41 LEU H H 41 7.733 7.733 7.983 -0.250 17857 3960 1 8 . 1 1 42 42 SER N N 42 112.897 112.897 112.137 0.760 17857 3961 1 8 . 1 1 42 42 SER HA H 42 3.880 3.880 4.233 -0.353 17857 3962 1 8 . 1 1 42 42 SER C C 42 176.429 176.429 174.302 2.127 17857 3963 1 8 . 1 1 42 42 SER CA C 42 61.867 61.867 59.292 2.575 17857 3964 1 8 . 1 1 42 42 SER CB C 42 62.864 62.864 62.791 0.073 17857 3965 1 8 . 1 1 42 42 SER H H 42 6.915 6.915 8.352 -1.437 17857 3966 1 8 . 1 1 43 43 GLY N N 43 114.357 114.357 106.721 7.636 17857 3967 1 8 . 1 1 43 43 GLY C C 43 178.051 178.051 175.180 2.871 17857 3968 1 8 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.845 0.999 17857 3969 1 8 . 1 1 43 43 GLY H H 43 9.244 9.244 7.981 1.263 17857 3970 1 8 . 1 1 44 44 PHE N N 44 124.297 124.297 122.350 1.947 17857 3971 1 8 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.316 0.277 17857 3972 1 8 . 1 1 44 44 PHE C C 44 178.168 178.168 177.640 0.528 17857 3973 1 8 . 1 1 44 44 PHE CA C 44 57.510 57.510 59.973 -2.463 17857 3974 1 8 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.302 -2.159 17857 3975 1 8 . 1 1 44 44 PHE H H 44 8.273 8.273 8.269 0.004 17857 3976 1 8 . 1 1 45 45 LEU N N 45 116.097 116.097 114.727 1.370 17857 3977 1 8 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.353 -0.177 17857 3978 1 8 . 1 1 45 45 LEU C C 45 179.069 179.069 177.177 1.892 17857 3979 1 8 . 1 1 45 45 LEU CA C 45 57.580 57.580 56.330 1.250 17857 3980 1 8 . 1 1 45 45 LEU CB C 45 41.377 41.377 41.043 0.334 17857 3981 1 8 . 1 1 45 45 LEU H H 45 8.559 8.559 7.709 0.850 17857 3982 1 8 . 1 1 46 46 ASP N N 46 119.849 119.849 120.969 -1.120 17857 3983 1 8 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.571 0.142 17857 3984 1 8 . 1 1 46 46 ASP C C 46 176.152 176.152 175.724 0.428 17857 3985 1 8 . 1 1 46 46 ASP CA C 46 55.845 55.845 55.162 0.683 17857 3986 1 8 . 1 1 46 46 ASP CB C 46 41.640 41.640 40.366 1.274 17857 3987 1 8 . 1 1 46 46 ASP H H 46 7.707 7.707 7.920 -0.213 17857 3988 1 8 . 1 1 47 47 ALA N N 47 124.027 124.027 121.200 2.827 17857 3989 1 8 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.479 0.129 17857 3990 1 8 . 1 1 47 47 ALA C C 47 176.271 176.271 175.889 0.382 17857 3991 1 8 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.227 -1.506 17857 3992 1 8 . 1 1 47 47 ALA CB C 47 18.985 18.985 20.169 -1.184 17857 3993 1 8 . 1 1 47 47 ALA H H 47 7.710 7.710 7.169 0.541 17857 3994 1 8 . 1 1 48 48 GLN N N 48 117.138 117.138 120.928 -3.790 17857 3995 1 8 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.319 -0.204 17857 3996 1 8 . 1 1 48 48 GLN C C 48 175.907 175.907 175.812 0.095 17857 3997 1 8 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.678 1.396 17857 3998 1 8 . 1 1 48 48 GLN CB C 48 30.504 30.504 29.852 0.652 17857 3999 1 8 . 1 1 48 48 GLN H H 48 7.562 7.562 8.441 -0.879 17857 4000 1 8 . 1 1 49 49 LYS N N 49 121.265 121.265 124.392 -3.127 17857 4001 1 8 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.291 -0.142 17857 4002 1 8 . 1 1 49 49 LYS C C 49 176.157 176.157 176.808 -0.651 17857 4003 1 8 . 1 1 49 49 LYS CA C 49 56.337 56.337 56.875 -0.538 17857 4004 1 8 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.938 -1.708 17857 4005 1 8 . 1 1 49 49 LYS H H 49 7.974 7.974 8.736 -0.762 17857 4006 1 8 . 1 1 50 50 ASP N N 50 119.019 119.019 120.910 -1.891 17857 4007 1 8 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.625 0.057 17857 4008 1 8 . 1 1 50 50 ASP C C 50 175.466 175.466 177.108 -1.642 17857 4009 1 8 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.577 -2.767 17857 4010 1 8 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.582 -1.627 17857 4011 1 8 . 1 1 50 50 ASP H H 50 7.523 7.523 8.136 -0.613 17857 4012 1 8 . 1 1 51 51 VAL N N 51 121.906 121.906 123.912 -2.006 17857 4013 1 8 . 1 1 51 51 VAL HA H 51 3.861 3.861 3.927 -0.066 17857 4014 1 8 . 1 1 51 51 VAL C C 51 178.158 178.158 176.171 1.987 17857 4015 1 8 . 1 1 51 51 VAL CA C 51 64.804 64.804 64.631 0.173 17857 4016 1 8 . 1 1 51 51 VAL CB C 51 31.831 31.831 32.684 -0.853 17857 4017 1 8 . 1 1 51 51 VAL H H 51 7.618 7.618 8.537 -0.919 17857 4018 1 8 . 1 1 52 52 ASP N N 52 119.692 119.692 120.192 -0.500 17857 4019 1 8 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.364 -0.005 17857 4020 1 8 . 1 1 52 52 ASP C C 52 178.427 178.427 177.969 0.458 17857 4021 1 8 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.249 0.110 17857 4022 1 8 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.163 1.758 17857 4023 1 8 . 1 1 52 52 ASP H H 52 8.081 8.081 8.446 -0.365 17857 4024 1 8 . 1 1 53 53 ALA N N 53 122.046 122.046 121.251 0.795 17857 4025 1 8 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.090 -0.070 17857 4026 1 8 . 1 1 53 53 ALA C C 53 180.602 180.602 179.870 0.732 17857 4027 1 8 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.800 -0.070 17857 4028 1 8 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.271 0.596 17857 4029 1 8 . 1 1 53 53 ALA H H 53 7.538 7.538 8.293 -0.755 17857 4030 1 8 . 1 1 54 54 VAL N N 54 117.817 117.817 116.077 1.740 17857 4031 1 8 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.710 -0.360 17857 4032 1 8 . 1 1 54 54 VAL C C 54 177.718 177.718 177.413 0.305 17857 4033 1 8 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.820 0.847 17857 4034 1 8 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.469 0.246 17857 4035 1 8 . 1 1 54 54 VAL H H 54 7.286 7.286 7.631 -0.345 17857 4036 1 8 . 1 1 55 55 ASP N N 55 119.601 119.601 120.282 -0.681 17857 4037 1 8 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.478 -0.191 17857 4038 1 8 . 1 1 55 55 ASP C C 55 178.508 178.508 177.974 0.534 17857 4039 1 8 . 1 1 55 55 ASP CA C 55 57.618 57.618 56.571 1.047 17857 4040 1 8 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.559 0.668 17857 4041 1 8 . 1 1 55 55 ASP H H 55 8.456 8.456 7.881 0.575 17857 4042 1 8 . 1 1 56 56 LYS N N 56 117.890 117.890 120.835 -2.945 17857 4043 1 8 . 1 1 56 56 LYS HA H 56 3.935 3.935 4.019 -0.083 17857 4044 1 8 . 1 1 56 56 LYS C C 56 179.509 179.509 178.834 0.675 17857 4045 1 8 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.309 0.580 17857 4046 1 8 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.029 0.491 17857 4047 1 8 . 1 1 56 56 LYS H H 56 7.921 7.921 7.845 0.076 17857 4048 1 8 . 1 1 57 57 VAL N N 57 119.196 119.196 119.051 0.145 17857 4049 1 8 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.710 0.012 17857 4050 1 8 . 1 1 57 57 VAL C C 57 177.928 177.928 177.672 0.256 17857 4051 1 8 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.730 0.488 17857 4052 1 8 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.492 0.839 17857 4053 1 8 . 1 1 57 57 VAL H H 57 7.292 7.292 7.340 -0.048 17857 4054 1 8 . 1 1 58 58 MET N N 58 115.902 115.902 117.232 -1.330 17857 4055 1 8 . 1 1 58 58 MET HA H 58 4.128 4.128 4.153 -0.025 17857 4056 1 8 . 1 1 58 58 MET C C 58 178.952 178.952 178.094 0.858 17857 4057 1 8 . 1 1 58 58 MET CA C 58 57.582 57.582 58.728 -1.146 17857 4058 1 8 . 1 1 58 58 MET CB C 58 31.511 31.511 32.360 -0.849 17857 4059 1 8 . 1 1 58 58 MET H H 58 8.313 8.313 7.334 0.979 17857 4060 1 8 . 1 1 59 59 LYS N N 59 118.845 118.845 121.095 -2.250 17857 4061 1 8 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.864 0.208 17857 4062 1 8 . 1 1 59 59 LYS C C 59 179.149 179.149 178.346 0.803 17857 4063 1 8 . 1 1 59 59 LYS CA C 59 59.160 59.160 60.179 -1.019 17857 4064 1 8 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.187 0.358 17857 4065 1 8 . 1 1 59 59 LYS H H 59 8.563 8.563 8.544 0.019 17857 4066 1 8 . 1 1 60 60 GLU N N 60 119.868 119.868 119.320 0.548 17857 4067 1 8 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.060 -0.028 17857 4068 1 8 . 1 1 60 60 GLU C C 60 179.083 179.083 178.850 0.233 17857 4069 1 8 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.577 0.189 17857 4070 1 8 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.371 -0.614 17857 4071 1 8 . 1 1 60 60 GLU H H 60 7.467 7.467 7.867 -0.400 17857 4072 1 8 . 1 1 61 61 LEU N N 61 116.866 116.866 118.638 -1.772 17857 4073 1 8 . 1 1 61 61 LEU HA H 61 3.967 3.967 3.969 -0.002 17857 4074 1 8 . 1 1 61 61 LEU C C 61 177.870 177.870 178.885 -1.015 17857 4075 1 8 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.278 -0.027 17857 4076 1 8 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.800 -1.030 17857 4077 1 8 . 1 1 61 61 LEU H H 61 7.597 7.597 7.451 0.146 17857 4078 1 8 . 1 1 62 62 ASP N N 62 115.773 115.773 117.778 -2.005 17857 4079 1 8 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.389 0.098 17857 4080 1 8 . 1 1 62 62 ASP C C 62 178.871 178.871 177.961 0.910 17857 4081 1 8 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.774 -0.653 17857 4082 1 8 . 1 1 62 62 ASP CB C 62 41.826 41.826 41.172 0.654 17857 4083 1 8 . 1 1 62 62 ASP H H 62 7.509 7.509 7.564 -0.055 17857 4084 1 8 . 1 1 63 63 GLU N N 63 119.120 119.120 118.133 0.987 17857 4085 1 8 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.111 0.020 17857 4086 1 8 . 1 1 63 63 GLU C C 63 176.937 176.937 177.944 -1.007 17857 4087 1 8 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.707 -0.654 17857 4088 1 8 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.399 -0.280 17857 4089 1 8 . 1 1 63 63 GLU H H 63 8.068 8.068 8.302 -0.234 17857 4090 1 8 . 1 1 64 64 ASN N N 64 117.779 117.779 116.165 1.614 17857 4091 1 8 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.805 0.317 17857 4092 1 8 . 1 1 64 64 ASN C C 64 176.299 176.299 175.815 0.484 17857 4093 1 8 . 1 1 64 64 ASN CA C 64 52.221 52.221 53.394 -1.173 17857 4094 1 8 . 1 1 64 64 ASN CB C 64 38.943 38.943 39.841 -0.898 17857 4095 1 8 . 1 1 64 64 ASN H H 64 7.719 7.719 8.395 -0.676 17857 4096 1 8 . 1 1 65 65 GLY N N 65 106.860 106.860 108.102 -1.242 17857 4097 1 8 . 1 1 65 65 GLY C C 65 174.113 174.113 174.691 -0.578 17857 4098 1 8 . 1 1 65 65 GLY CA C 65 47.965 47.965 45.448 2.517 17857 4099 1 8 . 1 1 65 65 GLY H H 65 7.705 7.705 8.595 -0.890 17857 4100 1 8 . 1 1 66 66 ASP N N 66 115.761 115.761 121.727 -5.966 17857 4101 1 8 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.425 0.412 17857 4102 1 8 . 1 1 66 66 ASP C C 66 177.865 177.865 176.800 1.065 17857 4103 1 8 . 1 1 66 66 ASP CA C 66 54.199 54.199 54.731 -0.532 17857 4104 1 8 . 1 1 66 66 ASP CB C 66 40.784 40.784 40.772 0.012 17857 4105 1 8 . 1 1 66 66 ASP H H 66 8.266 8.266 8.270 -0.004 17857 4106 1 8 . 1 1 67 67 GLY N N 67 109.034 109.034 106.311 2.723 17857 4107 1 8 . 1 1 67 67 GLY C C 67 172.364 172.364 173.067 -0.703 17857 4108 1 8 . 1 1 67 67 GLY CA C 67 45.136 45.136 45.017 0.119 17857 4109 1 8 . 1 1 67 67 GLY H H 67 8.237 8.237 7.831 0.406 17857 4110 1 8 . 1 1 68 68 GLU N N 68 117.964 117.964 119.898 -1.934 17857 4111 1 8 . 1 1 68 68 GLU HA H 68 5.169 5.169 4.602 0.567 17857 4112 1 8 . 1 1 68 68 GLU C C 68 176.201 176.201 174.206 1.995 17857 4113 1 8 . 1 1 68 68 GLU CA C 68 55.328 55.328 56.107 -0.779 17857 4114 1 8 . 1 1 68 68 GLU CB C 68 33.900 33.900 32.286 1.614 17857 4115 1 8 . 1 1 68 68 GLU H H 68 8.415 8.415 7.868 0.547 17857 4116 1 8 . 1 1 69 69 VAL N N 69 116.232 116.232 126.586 -10.354 17857 4117 1 8 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.727 0.174 17857 4118 1 8 . 1 1 69 69 VAL C C 69 174.378 174.378 173.356 1.022 17857 4119 1 8 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.534 0.017 17857 4120 1 8 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.968 -0.870 17857 4121 1 8 . 1 1 69 69 VAL H H 69 9.134 9.134 9.105 0.029 17857 4122 1 8 . 1 1 70 70 ASP N N 70 121.337 121.337 125.840 -4.503 17857 4123 1 8 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.964 0.567 17857 4124 1 8 . 1 1 70 70 ASP C C 70 176.081 176.081 176.515 -0.434 17857 4125 1 8 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.980 -1.665 17857 4126 1 8 . 1 1 70 70 ASP CB C 70 42.873 42.873 42.069 0.804 17857 4127 1 8 . 1 1 70 70 ASP H H 70 8.233 8.233 8.042 0.191 17857 4128 1 8 . 1 1 71 71 PHE N N 71 119.131 119.131 119.704 -0.573 17857 4129 1 8 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.670 -0.221 17857 4130 1 8 . 1 1 71 71 PHE C C 71 176.693 176.693 176.930 -0.237 17857 4131 1 8 . 1 1 71 71 PHE CA C 71 61.576 61.576 61.497 0.079 17857 4132 1 8 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.536 0.931 17857 4133 1 8 . 1 1 71 71 PHE H H 71 9.370 9.370 8.609 0.761 17857 4134 1 8 . 1 1 72 72 GLN N N 72 116.462 116.462 117.684 -1.222 17857 4135 1 8 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.760 -0.322 17857 4136 1 8 . 1 1 72 72 GLN C C 72 177.396 177.396 178.373 -0.977 17857 4137 1 8 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.267 1.500 17857 4138 1 8 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.404 0.379 17857 4139 1 8 . 1 1 72 72 GLN H H 72 8.096 8.096 8.433 -0.337 17857 4140 1 8 . 1 1 73 73 GLU N N 73 119.541 119.541 118.398 1.143 17857 4141 1 8 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.039 -0.052 17857 4142 1 8 . 1 1 73 73 GLU C C 73 178.861 178.861 178.783 0.078 17857 4143 1 8 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.488 0.791 17857 4144 1 8 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.623 0.683 17857 4145 1 8 . 1 1 73 73 GLU H H 73 8.139 8.139 8.602 -0.463 17857 4146 1 8 . 1 1 74 74 TYR N N 74 122.065 122.065 120.637 1.428 17857 4147 1 8 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.267 0.055 17857 4148 1 8 . 1 1 74 74 TYR C C 74 175.562 175.562 176.906 -1.344 17857 4149 1 8 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.170 -0.843 17857 4150 1 8 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.902 -2.035 17857 4151 1 8 . 1 1 74 74 TYR H H 74 8.157 8.157 7.429 0.728 17857 4152 1 8 . 1 1 75 75 VAL N N 75 119.872 119.872 117.059 2.813 17857 4153 1 8 . 1 1 75 75 VAL HA H 75 2.670 2.670 2.953 -0.283 17857 4154 1 8 . 1 1 75 75 VAL C C 75 177.425 177.425 177.501 -0.076 17857 4155 1 8 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.924 1.077 17857 4156 1 8 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.996 -0.295 17857 4157 1 8 . 1 1 75 75 VAL H H 75 7.915 7.915 8.061 -0.146 17857 4158 1 8 . 1 1 76 76 VAL N N 76 119.169 119.169 119.162 0.007 17857 4159 1 8 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.527 -0.177 17857 4160 1 8 . 1 1 76 76 VAL C C 76 178.933 178.933 177.678 1.255 17857 4161 1 8 . 1 1 76 76 VAL CA C 76 66.800 66.800 65.780 1.020 17857 4162 1 8 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.613 -0.012 17857 4163 1 8 . 1 1 76 76 VAL H H 76 7.545 7.545 7.426 0.119 17857 4164 1 8 . 1 1 77 77 LEU N N 77 121.356 121.356 119.259 2.097 17857 4165 1 8 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.878 0.301 17857 4166 1 8 . 1 1 77 77 LEU C C 77 179.226 179.226 178.756 0.470 17857 4167 1 8 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.408 0.865 17857 4168 1 8 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.835 0.157 17857 4169 1 8 . 1 1 77 77 LEU H H 77 7.789 7.789 7.088 0.701 17857 4170 1 8 . 1 1 78 78 VAL N N 78 119.358 119.358 117.837 1.521 17857 4171 1 8 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.383 0.070 17857 4172 1 8 . 1 1 78 78 VAL C C 78 180.653 180.653 177.361 3.292 17857 4173 1 8 . 1 1 78 78 VAL CA C 78 67.253 67.253 66.039 1.214 17857 4174 1 8 . 1 1 78 78 VAL CB C 78 31.392 31.392 31.408 -0.016 17857 4175 1 8 . 1 1 78 78 VAL H H 78 8.350 8.350 7.686 0.664 17857 4176 1 8 . 1 1 79 79 ALA N N 79 125.018 125.018 119.550 5.468 17857 4177 1 8 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.120 -0.082 17857 4178 1 8 . 1 1 79 79 ALA C C 79 178.321 178.321 178.348 -0.027 17857 4179 1 8 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.559 2.522 17857 4180 1 8 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.120 0.169 17857 4181 1 8 . 1 1 79 79 ALA H H 79 9.009 9.009 7.449 1.560 17857 4182 1 8 . 1 1 80 80 ALA N N 80 121.933 121.933 123.468 -1.535 17857 4183 1 8 . 1 1 80 80 ALA HA H 80 4.003 4.003 3.993 0.010 17857 4184 1 8 . 1 1 80 80 ALA C C 80 181.548 181.548 179.088 2.460 17857 4185 1 8 . 1 1 80 80 ALA CA C 80 55.419 55.419 55.022 0.397 17857 4186 1 8 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.049 -0.380 17857 4187 1 8 . 1 1 80 80 ALA H H 80 8.311 8.311 7.306 1.005 17857 4188 1 8 . 1 1 81 81 LEU N N 81 117.563 117.563 114.313 3.250 17857 4189 1 8 . 1 1 81 81 LEU HA H 81 4.033 4.033 4.018 0.015 17857 4190 1 8 . 1 1 81 81 LEU C C 81 178.536 178.536 178.474 0.062 17857 4191 1 8 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.342 0.321 17857 4192 1 8 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.259 0.694 17857 4193 1 8 . 1 1 81 81 LEU H H 81 8.056 8.056 7.557 0.499 17857 4194 1 8 . 1 1 82 82 THR N N 82 117.473 117.473 116.243 1.230 17857 4195 1 8 . 1 1 82 82 THR HA H 82 3.669 3.669 3.336 0.333 17857 4196 1 8 . 1 1 82 82 THR C C 82 176.658 176.658 176.568 0.090 17857 4197 1 8 . 1 1 82 82 THR CA C 82 68.836 68.836 65.752 3.084 17857 4198 1 8 . 1 1 82 82 THR CB C 82 67.515 67.515 68.071 -0.556 17857 4199 1 8 . 1 1 82 82 THR H H 82 8.299 8.299 7.344 0.955 17857 4200 1 8 . 1 1 83 83 VAL N N 83 121.111 121.111 121.156 -0.045 17857 4201 1 8 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.688 -0.562 17857 4202 1 8 . 1 1 83 83 VAL C C 83 176.323 176.323 178.031 -1.708 17857 4203 1 8 . 1 1 83 83 VAL CA C 83 65.247 65.247 66.132 -0.885 17857 4204 1 8 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.601 -0.579 17857 4205 1 8 . 1 1 83 83 VAL H H 83 7.953 7.953 7.866 0.087 17857 4206 1 8 . 1 1 84 84 ALA N N 84 117.068 117.068 121.779 -4.711 17857 4207 1 8 . 1 1 84 84 ALA HA H 84 4.573 4.573 3.993 0.580 17857 4208 1 8 . 1 1 84 84 ALA C C 84 177.919 177.919 177.224 0.695 17857 4209 1 8 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.852 -0.832 17857 4210 1 8 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.512 2.431 17857 4211 1 8 . 1 1 84 84 ALA H H 84 7.105 7.105 7.742 -0.637 17857 4212 1 8 . 1 1 85 85 CYS N N 85 112.195 112.195 114.587 -2.392 17857 4213 1 8 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.561 -0.021 17857 4214 1 8 . 1 1 85 85 CYS C C 85 173.282 173.282 173.791 -0.509 17857 4215 1 8 . 1 1 85 85 CYS CA C 85 60.342 60.342 57.210 3.132 17857 4216 1 8 . 1 1 85 85 CYS CB C 85 32.440 32.440 26.373 6.066 17857 4217 1 8 . 1 1 85 85 CYS H H 85 7.371 7.371 7.249 0.122 17857 4218 1 8 . 1 1 86 86 ASN N N 86 118.815 118.815 120.597 -1.782 17857 4219 1 8 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.807 -0.310 17857 4220 1 8 . 1 1 86 86 ASN CA C 86 54.737 54.737 53.801 0.936 17857 4221 1 8 . 1 1 86 86 ASN CB C 86 42.130 42.130 39.502 2.627 17857 4222 1 8 . 1 1 86 86 ASN H H 86 8.347 8.347 7.494 0.853 17857 4223 1 8 . 1 1 87 87 ASN HA H 87 4.325 4.325 5.053 -0.728 17857 4224 1 8 . 1 1 87 87 ASN C C 87 176.216 176.216 173.802 2.414 17857 4225 1 8 . 1 1 87 87 ASN CA C 87 56.570 56.570 52.545 4.025 17857 4226 1 8 . 1 1 87 87 ASN CB C 87 38.479 38.479 38.425 0.055 17857 4227 1 8 . 1 1 88 88 PHE N N 88 120.522 120.522 122.434 -1.912 17857 4228 1 8 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.446 -0.349 17857 4229 1 8 . 1 1 88 88 PHE C C 88 176.803 176.803 175.679 1.124 17857 4230 1 8 . 1 1 88 88 PHE CA C 88 61.023 61.023 61.422 -0.400 17857 4231 1 8 . 1 1 88 88 PHE CB C 88 39.682 39.682 40.201 -0.519 17857 4232 1 8 . 1 1 88 88 PHE H H 88 8.642 8.642 8.076 0.566 17857 4233 1 8 . 1 1 89 89 PHE N N 89 112.727 112.727 117.457 -4.730 17857 4234 1 8 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.391 -0.588 17857 4235 1 8 . 1 1 89 89 PHE C C 89 173.691 173.691 176.057 -2.366 17857 4236 1 8 . 1 1 89 89 PHE CA C 89 59.208 59.208 58.529 0.679 17857 4237 1 8 . 1 1 89 89 PHE CB C 89 39.029 39.029 39.909 -0.880 17857 4238 1 8 . 1 1 89 89 PHE H H 89 7.408 7.408 8.562 -1.154 17857 4239 1 8 . 1 1 90 90 TRP N N 90 118.731 118.731 119.869 -1.138 17857 4240 1 8 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.388 0.202 17857 4241 1 8 . 1 1 90 90 TRP C C 90 175.269 175.269 176.276 -1.007 17857 4242 1 8 . 1 1 90 90 TRP CA C 90 56.840 56.840 57.979 -1.139 17857 4243 1 8 . 1 1 90 90 TRP CB C 90 31.400 31.400 29.498 1.902 17857 4244 1 8 . 1 1 90 90 TRP H H 90 7.359 7.359 7.899 -0.540 17857 4245 1 8 . 1 1 91 91 GLU N N 91 121.302 121.302 121.018 0.284 17857 4246 1 8 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.230 0.112 17857 4247 1 8 . 1 1 91 91 GLU C C 91 176.081 176.081 175.705 0.376 17857 4248 1 8 . 1 1 91 91 GLU CA C 91 56.857 56.857 56.441 0.416 17857 4249 1 8 . 1 1 91 91 GLU CB C 91 30.548 30.548 30.619 -0.071 17857 4250 1 8 . 1 1 91 91 GLU H H 91 7.766 7.766 8.573 -0.807 17857 4251 1 8 . 1 1 92 92 ASN N N 92 120.522 120.522 120.552 -0.030 17857 4252 1 8 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.555 0.212 17857 4253 1 8 . 1 1 92 92 ASN C C 92 174.283 174.283 174.761 -0.478 17857 4254 1 8 . 1 1 92 92 ASN CA C 92 53.407 53.407 54.065 -0.658 17857 4255 1 8 . 1 1 92 92 ASN CB C 92 39.276 39.276 39.188 0.088 17857 4256 1 8 . 1 1 92 92 ASN H H 92 8.462 8.462 8.385 0.077 17857 4257 1 9 . 1 1 2 2 SER N N 2 118.698 118.698 116.695 2.003 17857 4258 1 9 . 1 1 2 2 SER HA H 2 4.691 4.691 4.637 0.054 17857 4259 1 9 . 1 1 2 2 SER C C 2 175.496 175.496 175.603 -0.107 17857 4260 1 9 . 1 1 2 2 SER CA C 2 57.481 57.481 57.694 -0.213 17857 4261 1 9 . 1 1 2 2 SER CB C 2 65.371 65.371 65.038 0.333 17857 4262 1 9 . 1 1 2 2 SER H H 2 9.211 9.211 7.915 1.296 17857 4263 1 9 . 1 1 3 3 GLU N N 3 122.860 122.860 121.486 1.374 17857 4264 1 9 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.076 0.039 17857 4265 1 9 . 1 1 3 3 GLU C C 3 179.171 179.171 178.187 0.984 17857 4266 1 9 . 1 1 3 3 GLU CA C 3 60.757 60.757 58.559 2.198 17857 4267 1 9 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.604 -0.565 17857 4268 1 9 . 1 1 3 3 GLU H H 3 9.205 9.205 8.834 0.371 17857 4269 1 9 . 1 1 4 4 LEU N N 4 120.718 120.718 120.906 -0.188 17857 4270 1 9 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.005 0.031 17857 4271 1 9 . 1 1 4 4 LEU C C 4 178.360 178.360 178.315 0.045 17857 4272 1 9 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.830 0.081 17857 4273 1 9 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.200 1.161 17857 4274 1 9 . 1 1 4 4 LEU H H 4 8.854 8.854 7.706 1.148 17857 4275 1 9 . 1 1 5 5 GLU N N 5 118.542 118.542 117.840 0.702 17857 4276 1 9 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.966 -0.711 17857 4277 1 9 . 1 1 5 5 GLU C C 5 179.204 179.204 179.003 0.201 17857 4278 1 9 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.438 0.379 17857 4279 1 9 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.541 -0.338 17857 4280 1 9 . 1 1 5 5 GLU H H 5 7.791 7.791 8.075 -0.284 17857 4281 1 9 . 1 1 6 6 THR N N 6 115.783 115.783 111.916 3.867 17857 4282 1 9 . 1 1 6 6 THR HA H 6 4.017 4.017 4.330 -0.313 17857 4283 1 9 . 1 1 6 6 THR C C 6 176.807 176.807 176.249 0.558 17857 4284 1 9 . 1 1 6 6 THR CA C 6 66.668 66.668 65.101 1.567 17857 4285 1 9 . 1 1 6 6 THR CB C 6 68.763 68.763 68.897 -0.134 17857 4286 1 9 . 1 1 6 6 THR H H 6 8.371 8.371 7.542 0.829 17857 4287 1 9 . 1 1 7 7 ALA N N 7 125.707 125.707 125.003 0.704 17857 4288 1 9 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.061 0.211 17857 4289 1 9 . 1 1 7 7 ALA C C 7 179.856 179.856 179.535 0.321 17857 4290 1 9 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.023 0.679 17857 4291 1 9 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.305 -0.075 17857 4292 1 9 . 1 1 7 7 ALA H H 7 8.267 8.267 8.578 -0.311 17857 4293 1 9 . 1 1 8 8 MET N N 8 115.222 115.222 115.191 0.031 17857 4294 1 9 . 1 1 8 8 MET HA H 8 4.858 4.858 4.539 0.319 17857 4295 1 9 . 1 1 8 8 MET C C 8 179.635 179.635 178.420 1.215 17857 4296 1 9 . 1 1 8 8 MET CA C 8 56.669 56.669 56.310 0.359 17857 4297 1 9 . 1 1 8 8 MET CB C 8 29.136 29.136 31.546 -2.409 17857 4298 1 9 . 1 1 8 8 MET H H 8 8.106 8.106 7.733 0.373 17857 4299 1 9 . 1 1 9 9 GLU N N 9 120.456 120.456 121.055 -0.599 17857 4300 1 9 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.046 0.069 17857 4301 1 9 . 1 1 9 9 GLU C C 9 179.531 179.531 179.404 0.127 17857 4302 1 9 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.475 1.156 17857 4303 1 9 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.316 -0.339 17857 4304 1 9 . 1 1 9 9 GLU H H 9 8.658 8.658 7.882 0.776 17857 4305 1 9 . 1 1 10 10 THR N N 10 118.547 118.547 116.200 2.347 17857 4306 1 9 . 1 1 10 10 THR HA H 10 4.116 4.116 4.190 -0.074 17857 4307 1 9 . 1 1 10 10 THR C C 10 175.942 175.942 176.635 -0.693 17857 4308 1 9 . 1 1 10 10 THR CA C 10 67.521 67.521 66.894 0.627 17857 4309 1 9 . 1 1 10 10 THR CB C 10 67.933 67.933 68.841 -0.908 17857 4310 1 9 . 1 1 10 10 THR H H 10 8.417 8.417 8.439 -0.022 17857 4311 1 9 . 1 1 11 11 LEU N N 11 121.715 121.715 122.973 -1.258 17857 4312 1 9 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.368 -0.301 17857 4313 1 9 . 1 1 11 11 LEU C C 11 181.784 181.784 179.113 2.671 17857 4314 1 9 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.227 2.216 17857 4315 1 9 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.219 -0.226 17857 4316 1 9 . 1 1 11 11 LEU H H 11 8.324 8.324 7.373 0.951 17857 4317 1 9 . 1 1 12 12 ILE N N 12 121.081 121.081 120.403 0.678 17857 4318 1 9 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.613 -0.049 17857 4319 1 9 . 1 1 12 12 ILE C C 12 176.221 176.221 177.552 -1.331 17857 4320 1 9 . 1 1 12 12 ILE CA C 12 66.178 66.178 63.838 2.340 17857 4321 1 9 . 1 1 12 12 ILE CB C 12 38.395 38.395 36.907 1.488 17857 4322 1 9 . 1 1 12 12 ILE H H 12 8.419 8.419 8.505 -0.086 17857 4323 1 9 . 1 1 13 13 ASN N N 13 120.254 120.254 117.992 2.262 17857 4324 1 9 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.545 -0.175 17857 4325 1 9 . 1 1 13 13 ASN C C 13 179.124 179.124 178.286 0.838 17857 4326 1 9 . 1 1 13 13 ASN CA C 13 56.615 56.615 56.539 0.076 17857 4327 1 9 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.336 -0.181 17857 4328 1 9 . 1 1 13 13 ASN H H 13 8.593 8.593 8.103 0.490 17857 4329 1 9 . 1 1 14 14 VAL N N 14 121.599 121.599 120.298 1.301 17857 4330 1 9 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.634 0.222 17857 4331 1 9 . 1 1 14 14 VAL C C 14 177.155 177.155 177.436 -0.281 17857 4332 1 9 . 1 1 14 14 VAL CA C 14 66.705 66.705 66.113 0.592 17857 4333 1 9 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.912 -0.028 17857 4334 1 9 . 1 1 14 14 VAL H H 14 8.838 8.838 7.469 1.369 17857 4335 1 9 . 1 1 15 15 PHE N N 15 120.139 120.139 121.352 -1.213 17857 4336 1 9 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.810 -0.211 17857 4337 1 9 . 1 1 15 15 PHE C C 15 177.601 177.601 176.873 0.728 17857 4338 1 9 . 1 1 15 15 PHE CA C 15 62.399 62.399 61.724 0.675 17857 4339 1 9 . 1 1 15 15 PHE CB C 15 39.632 39.632 38.937 0.695 17857 4340 1 9 . 1 1 15 15 PHE H H 15 7.456 7.456 8.620 -1.164 17857 4341 1 9 . 1 1 16 16 HIS N N 16 118.175 118.175 117.244 0.931 17857 4342 1 9 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.544 0.599 17857 4343 1 9 . 1 1 16 16 HIS C C 16 177.972 177.972 177.383 0.589 17857 4344 1 9 . 1 1 16 16 HIS CA C 16 55.795 55.795 58.786 -2.991 17857 4345 1 9 . 1 1 16 16 HIS CB C 16 30.327 30.327 29.534 0.793 17857 4346 1 9 . 1 1 16 16 HIS H H 16 9.137 9.137 7.976 1.161 17857 4347 1 9 . 1 1 17 17 ALA N N 17 121.734 121.734 122.278 -0.544 17857 4348 1 9 . 1 1 17 17 ALA HA H 17 3.820 3.820 3.987 -0.167 17857 4349 1 9 . 1 1 17 17 ALA C C 17 178.713 178.713 179.226 -0.513 17857 4350 1 9 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.742 -0.125 17857 4351 1 9 . 1 1 17 17 ALA CB C 17 17.700 17.700 18.249 -0.549 17857 4352 1 9 . 1 1 17 17 ALA H H 17 8.133 8.133 7.314 0.819 17857 4353 1 9 . 1 1 18 18 HIS N N 18 113.408 113.408 116.210 -2.802 17857 4354 1 9 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.469 -0.149 17857 4355 1 9 . 1 1 18 18 HIS CA C 18 57.837 57.837 58.292 -0.455 17857 4356 1 9 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.651 1.998 17857 4357 1 9 . 1 1 18 18 HIS H H 18 7.286 7.286 7.647 -0.361 17857 4358 1 9 . 1 1 19 19 SER N N 19 120.877 120.877 116.298 4.579 17857 4359 1 9 . 1 1 19 19 SER HA H 19 4.124 4.124 4.154 -0.030 17857 4360 1 9 . 1 1 19 19 SER C C 19 176.676 176.676 176.913 -0.237 17857 4361 1 9 . 1 1 19 19 SER CA C 19 60.979 60.979 60.812 0.167 17857 4362 1 9 . 1 1 19 19 SER CB C 19 61.813 61.813 63.039 -1.226 17857 4363 1 9 . 1 1 19 19 SER H H 19 9.322 9.322 7.760 1.562 17857 4364 1 9 . 1 1 20 20 GLY N N 20 107.206 107.206 109.432 -2.226 17857 4365 1 9 . 1 1 20 20 GLY C C 20 174.913 174.913 175.289 -0.376 17857 4366 1 9 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.943 -0.662 17857 4367 1 9 . 1 1 20 20 GLY H H 20 8.233 8.233 7.953 0.280 17857 4368 1 9 . 1 1 21 21 LYS N N 21 118.717 118.717 120.441 -1.724 17857 4369 1 9 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.096 -0.055 17857 4370 1 9 . 1 1 21 21 LYS C C 21 176.623 176.623 176.966 -0.343 17857 4371 1 9 . 1 1 21 21 LYS CA C 21 58.185 58.185 58.365 -0.180 17857 4372 1 9 . 1 1 21 21 LYS CB C 21 33.157 33.157 32.985 0.172 17857 4373 1 9 . 1 1 21 21 LYS H H 21 7.333 7.333 7.592 -0.259 17857 4374 1 9 . 1 1 22 22 GLU N N 22 116.257 116.257 114.887 1.370 17857 4375 1 9 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.518 -0.076 17857 4376 1 9 . 1 1 22 22 GLU C C 22 175.554 175.554 174.859 0.695 17857 4377 1 9 . 1 1 22 22 GLU CA C 22 55.488 55.488 55.150 0.338 17857 4378 1 9 . 1 1 22 22 GLU CB C 22 31.892 31.892 33.910 -2.018 17857 4379 1 9 . 1 1 22 22 GLU H H 22 7.603 7.603 7.742 -0.139 17857 4380 1 9 . 1 1 23 23 GLY N N 23 108.614 108.614 108.192 0.422 17857 4381 1 9 . 1 1 23 23 GLY C C 23 173.976 173.976 172.899 1.077 17857 4382 1 9 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.574 1.450 17857 4383 1 9 . 1 1 23 23 GLY H H 23 8.261 8.261 8.248 0.013 17857 4384 1 9 . 1 1 24 24 ASP N N 24 124.252 124.252 121.000 3.252 17857 4385 1 9 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.700 -0.141 17857 4386 1 9 . 1 1 24 24 ASP C C 24 177.376 177.376 176.787 0.589 17857 4387 1 9 . 1 1 24 24 ASP CA C 24 53.824 53.824 53.634 0.190 17857 4388 1 9 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.537 1.155 17857 4389 1 9 . 1 1 24 24 ASP H H 24 8.313 8.313 8.328 -0.015 17857 4390 1 9 . 1 1 25 25 LYS N N 25 125.006 125.006 122.805 2.201 17857 4391 1 9 . 1 1 25 25 LYS HA H 25 4.137 4.137 3.992 0.145 17857 4392 1 9 . 1 1 25 25 LYS C C 25 175.980 175.980 178.997 -3.017 17857 4393 1 9 . 1 1 25 25 LYS CA C 25 57.436 57.436 59.394 -1.958 17857 4394 1 9 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.201 0.144 17857 4395 1 9 . 1 1 25 25 LYS H H 25 8.327 8.327 8.401 -0.074 17857 4396 1 9 . 1 1 26 26 TYR N N 26 117.300 117.300 117.215 0.085 17857 4397 1 9 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.448 0.638 17857 4398 1 9 . 1 1 26 26 TYR C C 26 175.592 175.592 176.484 -0.892 17857 4399 1 9 . 1 1 26 26 TYR CA C 26 57.552 57.552 60.897 -3.345 17857 4400 1 9 . 1 1 26 26 TYR CB C 26 38.052 38.052 37.713 0.339 17857 4401 1 9 . 1 1 26 26 TYR H H 26 8.490 8.490 7.941 0.549 17857 4402 1 9 . 1 1 27 27 LYS N N 27 117.820 117.820 117.327 0.493 17857 4403 1 9 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.750 0.753 17857 4404 1 9 . 1 1 27 27 LYS C C 27 174.259 174.259 176.184 -1.925 17857 4405 1 9 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.978 -0.884 17857 4406 1 9 . 1 1 27 27 LYS CB C 27 37.626 37.626 33.988 3.638 17857 4407 1 9 . 1 1 27 27 LYS H H 27 7.793 7.793 7.677 0.116 17857 4408 1 9 . 1 1 28 28 LEU N N 28 120.282 120.282 121.853 -1.571 17857 4409 1 9 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.633 0.115 17857 4410 1 9 . 1 1 28 28 LEU C C 28 176.038 176.038 175.304 0.734 17857 4411 1 9 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.815 -0.773 17857 4412 1 9 . 1 1 28 28 LEU CB C 28 46.382 46.382 46.120 0.262 17857 4413 1 9 . 1 1 28 28 LEU H H 28 8.692 8.692 8.481 0.211 17857 4414 1 9 . 1 1 29 29 SER N N 29 119.669 119.669 120.079 -0.410 17857 4415 1 9 . 1 1 29 29 SER HA H 29 5.121 5.121 4.727 0.394 17857 4416 1 9 . 1 1 29 29 SER C C 29 175.936 175.936 175.121 0.815 17857 4417 1 9 . 1 1 29 29 SER CA C 29 57.760 57.760 58.462 -0.702 17857 4418 1 9 . 1 1 29 29 SER CB C 29 64.689 64.689 64.314 0.375 17857 4419 1 9 . 1 1 29 29 SER H H 29 8.797 8.797 8.683 0.114 17857 4420 1 9 . 1 1 30 30 LYS N N 30 124.194 124.194 120.129 4.065 17857 4421 1 9 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.369 -0.508 17857 4422 1 9 . 1 1 30 30 LYS C C 30 178.523 178.523 178.013 0.510 17857 4423 1 9 . 1 1 30 30 LYS CA C 30 61.591 61.591 57.998 3.593 17857 4424 1 9 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.530 -0.526 17857 4425 1 9 . 1 1 30 30 LYS H H 30 8.842 8.842 8.488 0.354 17857 4426 1 9 . 1 1 31 31 LYS N N 31 119.922 119.922 120.398 -0.476 17857 4427 1 9 . 1 1 31 31 LYS HA H 31 4.157 4.157 4.071 0.086 17857 4428 1 9 . 1 1 31 31 LYS C C 31 179.293 179.293 178.845 0.448 17857 4429 1 9 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.173 0.253 17857 4430 1 9 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.418 0.168 17857 4431 1 9 . 1 1 31 31 LYS H H 31 8.786 8.786 7.528 1.258 17857 4432 1 9 . 1 1 32 32 GLN N N 32 119.859 119.859 118.302 1.557 17857 4433 1 9 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.165 -0.048 17857 4434 1 9 . 1 1 32 32 GLN C C 32 179.272 179.272 177.888 1.384 17857 4435 1 9 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.394 -0.215 17857 4436 1 9 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.499 0.321 17857 4437 1 9 . 1 1 32 32 GLN H H 32 7.769 7.769 7.467 0.302 17857 4438 1 9 . 1 1 33 33 LEU N N 33 122.146 122.146 120.494 1.652 17857 4439 1 9 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.987 0.058 17857 4440 1 9 . 1 1 33 33 LEU C C 33 177.408 177.408 178.736 -1.328 17857 4441 1 9 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.488 -1.153 17857 4442 1 9 . 1 1 33 33 LEU CB C 33 40.547 40.547 40.863 -0.316 17857 4443 1 9 . 1 1 33 33 LEU H H 33 8.918 8.918 8.132 0.786 17857 4444 1 9 . 1 1 34 34 LYS N N 34 120.726 120.726 118.424 2.302 17857 4445 1 9 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.934 -0.308 17857 4446 1 9 . 1 1 34 34 LYS C C 34 177.675 177.675 178.870 -1.195 17857 4447 1 9 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.563 1.422 17857 4448 1 9 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.090 -0.090 17857 4449 1 9 . 1 1 34 34 LYS H H 34 8.423 8.423 8.114 0.309 17857 4450 1 9 . 1 1 35 35 GLU N N 35 116.999 116.999 118.178 -1.179 17857 4451 1 9 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.107 -0.037 17857 4452 1 9 . 1 1 35 35 GLU C C 35 179.003 179.003 178.821 0.182 17857 4453 1 9 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.288 0.214 17857 4454 1 9 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.777 -0.382 17857 4455 1 9 . 1 1 35 35 GLU H H 35 7.186 7.186 7.335 -0.149 17857 4456 1 9 . 1 1 36 36 LEU N N 36 122.908 122.908 119.333 3.575 17857 4457 1 9 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.123 -0.410 17857 4458 1 9 . 1 1 36 36 LEU C C 36 178.810 178.810 178.625 0.185 17857 4459 1 9 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.009 1.424 17857 4460 1 9 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.055 1.248 17857 4461 1 9 . 1 1 36 36 LEU H H 36 8.141 8.141 8.449 -0.308 17857 4462 1 9 . 1 1 37 37 LEU N N 37 119.746 119.746 120.166 -0.420 17857 4463 1 9 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.812 -0.123 17857 4464 1 9 . 1 1 37 37 LEU C C 37 178.128 178.128 179.399 -1.271 17857 4465 1 9 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.467 -0.051 17857 4466 1 9 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.342 0.181 17857 4467 1 9 . 1 1 37 37 LEU H H 37 8.772 8.772 8.951 -0.179 17857 4468 1 9 . 1 1 38 38 GLN N N 38 113.312 113.312 116.476 -3.164 17857 4469 1 9 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.338 -0.571 17857 4470 1 9 . 1 1 38 38 GLN C C 38 177.536 177.536 178.128 -0.592 17857 4471 1 9 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.249 0.537 17857 4472 1 9 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.820 0.194 17857 4473 1 9 . 1 1 38 38 GLN H H 38 8.082 8.082 7.950 0.132 17857 4474 1 9 . 1 1 39 39 THR N N 39 109.779 109.779 113.651 -3.872 17857 4475 1 9 . 1 1 39 39 THR HA H 39 4.312 4.312 4.163 0.149 17857 4476 1 9 . 1 1 39 39 THR C C 39 176.802 176.802 175.637 1.165 17857 4477 1 9 . 1 1 39 39 THR CA C 39 64.576 64.576 65.039 -0.463 17857 4478 1 9 . 1 1 39 39 THR CB C 39 69.847 69.847 69.052 0.795 17857 4479 1 9 . 1 1 39 39 THR H H 39 7.683 7.683 7.564 0.119 17857 4480 1 9 . 1 1 40 40 GLU N N 40 118.440 118.440 120.002 -1.562 17857 4481 1 9 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.529 0.187 17857 4482 1 9 . 1 1 40 40 GLU C C 40 177.106 177.106 176.791 0.315 17857 4483 1 9 . 1 1 40 40 GLU CA C 40 56.922 56.922 57.354 -0.432 17857 4484 1 9 . 1 1 40 40 GLU CB C 40 30.262 30.262 31.307 -1.045 17857 4485 1 9 . 1 1 40 40 GLU H H 40 8.971 8.971 8.361 0.610 17857 4486 1 9 . 1 1 41 41 LEU N N 41 119.219 119.219 122.113 -2.894 17857 4487 1 9 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.695 0.433 17857 4488 1 9 . 1 1 41 41 LEU C C 41 177.669 177.669 175.870 1.799 17857 4489 1 9 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.380 -1.081 17857 4490 1 9 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.422 -0.214 17857 4491 1 9 . 1 1 41 41 LEU H H 41 7.733 7.733 8.421 -0.688 17857 4492 1 9 . 1 1 42 42 SER N N 42 112.897 112.897 119.338 -6.441 17857 4493 1 9 . 1 1 42 42 SER HA H 42 3.880 3.880 4.527 -0.647 17857 4494 1 9 . 1 1 42 42 SER C C 42 176.429 176.429 174.205 2.224 17857 4495 1 9 . 1 1 42 42 SER CA C 42 61.867 61.867 57.996 3.871 17857 4496 1 9 . 1 1 42 42 SER CB C 42 62.864 62.864 62.936 -0.072 17857 4497 1 9 . 1 1 42 42 SER H H 42 6.915 6.915 8.924 -2.009 17857 4498 1 9 . 1 1 43 43 GLY N N 43 114.357 114.357 109.580 4.777 17857 4499 1 9 . 1 1 43 43 GLY C C 43 178.051 178.051 175.627 2.424 17857 4500 1 9 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.066 1.778 17857 4501 1 9 . 1 1 43 43 GLY H H 43 9.244 9.244 8.426 0.818 17857 4502 1 9 . 1 1 44 44 PHE N N 44 124.297 124.297 121.170 3.127 17857 4503 1 9 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.210 0.383 17857 4504 1 9 . 1 1 44 44 PHE C C 44 178.168 178.168 177.353 0.815 17857 4505 1 9 . 1 1 44 44 PHE CA C 44 57.510 57.510 59.902 -2.392 17857 4506 1 9 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.675 -2.532 17857 4507 1 9 . 1 1 44 44 PHE H H 44 8.273 8.273 8.016 0.257 17857 4508 1 9 . 1 1 45 45 LEU N N 45 116.097 116.097 112.278 3.819 17857 4509 1 9 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.290 -0.114 17857 4510 1 9 . 1 1 45 45 LEU C C 45 179.069 179.069 177.068 2.001 17857 4511 1 9 . 1 1 45 45 LEU CA C 45 57.580 57.580 55.652 1.928 17857 4512 1 9 . 1 1 45 45 LEU CB C 45 41.377 41.377 40.911 0.466 17857 4513 1 9 . 1 1 45 45 LEU H H 45 8.559 8.559 7.835 0.724 17857 4514 1 9 . 1 1 46 46 ASP N N 46 119.849 119.849 121.766 -1.917 17857 4515 1 9 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.600 0.113 17857 4516 1 9 . 1 1 46 46 ASP C C 46 176.152 176.152 175.943 0.209 17857 4517 1 9 . 1 1 46 46 ASP CA C 46 55.845 55.845 54.986 0.860 17857 4518 1 9 . 1 1 46 46 ASP CB C 46 41.640 41.640 41.557 0.083 17857 4519 1 9 . 1 1 46 46 ASP H H 46 7.707 7.707 8.071 -0.364 17857 4520 1 9 . 1 1 47 47 ALA N N 47 124.027 124.027 121.703 2.324 17857 4521 1 9 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.677 -0.069 17857 4522 1 9 . 1 1 47 47 ALA C C 47 176.271 176.271 175.947 0.324 17857 4523 1 9 . 1 1 47 47 ALA CA C 47 50.721 50.721 51.843 -1.122 17857 4524 1 9 . 1 1 47 47 ALA CB C 47 18.985 18.985 20.012 -1.027 17857 4525 1 9 . 1 1 47 47 ALA H H 47 7.710 7.710 7.231 0.479 17857 4526 1 9 . 1 1 48 48 GLN N N 48 117.138 117.138 120.774 -3.636 17857 4527 1 9 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.159 -0.044 17857 4528 1 9 . 1 1 48 48 GLN C C 48 175.907 175.907 176.079 -0.172 17857 4529 1 9 . 1 1 48 48 GLN CA C 48 57.074 57.074 56.117 0.957 17857 4530 1 9 . 1 1 48 48 GLN CB C 48 30.504 30.504 28.566 1.938 17857 4531 1 9 . 1 1 48 48 GLN H H 48 7.562 7.562 8.509 -0.947 17857 4532 1 9 . 1 1 49 49 LYS N N 49 121.265 121.265 125.212 -3.947 17857 4533 1 9 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.311 -0.162 17857 4534 1 9 . 1 1 49 49 LYS C C 49 176.157 176.157 176.894 -0.737 17857 4535 1 9 . 1 1 49 49 LYS CA C 49 56.337 56.337 56.991 -0.654 17857 4536 1 9 . 1 1 49 49 LYS CB C 49 31.231 31.231 33.091 -1.860 17857 4537 1 9 . 1 1 49 49 LYS H H 49 7.974 7.974 8.728 -0.754 17857 4538 1 9 . 1 1 50 50 ASP N N 50 119.019 119.019 119.400 -0.381 17857 4539 1 9 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.564 0.118 17857 4540 1 9 . 1 1 50 50 ASP C C 50 175.466 175.466 176.339 -0.873 17857 4541 1 9 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.584 -2.774 17857 4542 1 9 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.786 -1.831 17857 4543 1 9 . 1 1 50 50 ASP H H 50 7.523 7.523 7.877 -0.354 17857 4544 1 9 . 1 1 51 51 VAL N N 51 121.906 121.906 117.814 4.092 17857 4545 1 9 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.146 -0.285 17857 4546 1 9 . 1 1 51 51 VAL C C 51 178.158 178.158 176.518 1.640 17857 4547 1 9 . 1 1 51 51 VAL CA C 51 64.804 64.804 63.435 1.369 17857 4548 1 9 . 1 1 51 51 VAL CB C 51 31.831 31.831 32.567 -0.736 17857 4549 1 9 . 1 1 51 51 VAL H H 51 7.618 7.618 7.855 -0.237 17857 4550 1 9 . 1 1 52 52 ASP N N 52 119.692 119.692 122.035 -2.343 17857 4551 1 9 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.362 -0.003 17857 4552 1 9 . 1 1 52 52 ASP C C 52 178.427 178.427 178.495 -0.068 17857 4553 1 9 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.787 -0.428 17857 4554 1 9 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.756 1.165 17857 4555 1 9 . 1 1 52 52 ASP H H 52 8.081 8.081 8.623 -0.542 17857 4556 1 9 . 1 1 53 53 ALA N N 53 122.046 122.046 121.059 0.987 17857 4557 1 9 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.121 -0.101 17857 4558 1 9 . 1 1 53 53 ALA C C 53 180.602 180.602 179.258 1.344 17857 4559 1 9 . 1 1 53 53 ALA CA C 53 54.730 54.730 55.024 -0.294 17857 4560 1 9 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.355 0.512 17857 4561 1 9 . 1 1 53 53 ALA H H 53 7.538 7.538 8.338 -0.800 17857 4562 1 9 . 1 1 54 54 VAL N N 54 117.817 117.817 116.704 1.113 17857 4563 1 9 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.734 -0.384 17857 4564 1 9 . 1 1 54 54 VAL C C 54 177.718 177.718 177.329 0.389 17857 4565 1 9 . 1 1 54 54 VAL CA C 54 66.667 66.667 64.940 1.727 17857 4566 1 9 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.238 0.477 17857 4567 1 9 . 1 1 54 54 VAL H H 54 7.286 7.286 7.638 -0.352 17857 4568 1 9 . 1 1 55 55 ASP N N 55 119.601 119.601 120.645 -1.044 17857 4569 1 9 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.527 -0.240 17857 4570 1 9 . 1 1 55 55 ASP C C 55 178.508 178.508 177.999 0.509 17857 4571 1 9 . 1 1 55 55 ASP CA C 55 57.618 57.618 56.541 1.077 17857 4572 1 9 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.695 0.532 17857 4573 1 9 . 1 1 55 55 ASP H H 55 8.456 8.456 8.530 -0.074 17857 4574 1 9 . 1 1 56 56 LYS N N 56 117.890 117.890 120.956 -3.066 17857 4575 1 9 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.905 0.030 17857 4576 1 9 . 1 1 56 56 LYS C C 56 179.509 179.509 178.683 0.826 17857 4577 1 9 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.960 -0.071 17857 4578 1 9 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.402 0.118 17857 4579 1 9 . 1 1 56 56 LYS H H 56 7.921 7.921 8.161 -0.240 17857 4580 1 9 . 1 1 57 57 VAL N N 57 119.196 119.196 118.607 0.589 17857 4581 1 9 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.711 0.011 17857 4582 1 9 . 1 1 57 57 VAL C C 57 177.928 177.928 177.325 0.603 17857 4583 1 9 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.551 0.667 17857 4584 1 9 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.585 0.746 17857 4585 1 9 . 1 1 57 57 VAL H H 57 7.292 7.292 7.327 -0.035 17857 4586 1 9 . 1 1 58 58 MET N N 58 115.902 115.902 117.511 -1.609 17857 4587 1 9 . 1 1 58 58 MET HA H 58 4.128 4.128 4.131 -0.003 17857 4588 1 9 . 1 1 58 58 MET C C 58 178.952 178.952 178.683 0.269 17857 4589 1 9 . 1 1 58 58 MET CA C 58 57.582 57.582 58.869 -1.287 17857 4590 1 9 . 1 1 58 58 MET CB C 58 31.511 31.511 32.504 -0.993 17857 4591 1 9 . 1 1 58 58 MET H H 58 8.313 8.313 7.364 0.949 17857 4592 1 9 . 1 1 59 59 LYS N N 59 118.845 118.845 119.678 -0.833 17857 4593 1 9 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.936 0.136 17857 4594 1 9 . 1 1 59 59 LYS C C 59 179.149 179.149 178.349 0.800 17857 4595 1 9 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.557 -0.397 17857 4596 1 9 . 1 1 59 59 LYS CB C 59 32.545 32.545 31.885 0.660 17857 4597 1 9 . 1 1 59 59 LYS H H 59 8.563 8.563 8.375 0.188 17857 4598 1 9 . 1 1 60 60 GLU N N 60 119.868 119.868 120.127 -0.259 17857 4599 1 9 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.013 0.019 17857 4600 1 9 . 1 1 60 60 GLU C C 60 179.083 179.083 178.555 0.528 17857 4601 1 9 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.351 0.415 17857 4602 1 9 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.482 -0.725 17857 4603 1 9 . 1 1 60 60 GLU H H 60 7.467 7.467 7.683 -0.216 17857 4604 1 9 . 1 1 61 61 LEU N N 61 116.866 116.866 118.385 -1.519 17857 4605 1 9 . 1 1 61 61 LEU HA H 61 3.967 3.967 3.996 -0.029 17857 4606 1 9 . 1 1 61 61 LEU C C 61 177.870 177.870 178.723 -0.853 17857 4607 1 9 . 1 1 61 61 LEU CA C 61 57.251 57.251 58.222 -0.971 17857 4608 1 9 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.670 -0.900 17857 4609 1 9 . 1 1 61 61 LEU H H 61 7.597 7.597 7.602 -0.005 17857 4610 1 9 . 1 1 62 62 ASP N N 62 115.773 115.773 117.451 -1.678 17857 4611 1 9 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.407 0.080 17857 4612 1 9 . 1 1 62 62 ASP C C 62 178.871 178.871 178.133 0.738 17857 4613 1 9 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.485 -0.364 17857 4614 1 9 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.866 0.960 17857 4615 1 9 . 1 1 62 62 ASP H H 62 7.509 7.509 7.572 -0.063 17857 4616 1 9 . 1 1 63 63 GLU N N 63 119.120 119.120 119.811 -0.691 17857 4617 1 9 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.105 0.026 17857 4618 1 9 . 1 1 63 63 GLU C C 63 176.937 176.937 178.362 -1.425 17857 4619 1 9 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.382 -0.328 17857 4620 1 9 . 1 1 63 63 GLU CB C 63 30.119 30.119 29.859 0.260 17857 4621 1 9 . 1 1 63 63 GLU H H 63 8.068 8.068 8.322 -0.254 17857 4622 1 9 . 1 1 64 64 ASN N N 64 117.779 117.779 117.562 0.217 17857 4623 1 9 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.568 0.554 17857 4624 1 9 . 1 1 64 64 ASN C C 64 176.299 176.299 176.958 -0.659 17857 4625 1 9 . 1 1 64 64 ASN CA C 64 52.221 52.221 54.801 -2.580 17857 4626 1 9 . 1 1 64 64 ASN CB C 64 38.943 38.943 39.050 -0.107 17857 4627 1 9 . 1 1 64 64 ASN H H 64 7.719 7.719 7.882 -0.163 17857 4628 1 9 . 1 1 65 65 GLY N N 65 106.860 106.860 107.700 -0.840 17857 4629 1 9 . 1 1 65 65 GLY C C 65 174.113 174.113 173.612 0.501 17857 4630 1 9 . 1 1 65 65 GLY CA C 65 47.965 47.965 46.171 1.794 17857 4631 1 9 . 1 1 65 65 GLY H H 65 7.705 7.705 8.943 -1.238 17857 4632 1 9 . 1 1 66 66 ASP N N 66 115.761 115.761 116.138 -0.377 17857 4633 1 9 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.670 0.167 17857 4634 1 9 . 1 1 66 66 ASP C C 66 177.865 177.865 175.972 1.893 17857 4635 1 9 . 1 1 66 66 ASP CA C 66 54.199 54.199 53.713 0.486 17857 4636 1 9 . 1 1 66 66 ASP CB C 66 40.784 40.784 40.259 0.525 17857 4637 1 9 . 1 1 66 66 ASP H H 66 8.266 8.266 8.032 0.234 17857 4638 1 9 . 1 1 67 67 GLY N N 67 109.034 109.034 108.889 0.145 17857 4639 1 9 . 1 1 67 67 GLY C C 67 172.364 172.364 172.979 -0.615 17857 4640 1 9 . 1 1 67 67 GLY CA C 67 45.136 45.136 43.815 1.321 17857 4641 1 9 . 1 1 67 67 GLY H H 67 8.237 8.237 8.156 0.081 17857 4642 1 9 . 1 1 68 68 GLU N N 68 117.964 117.964 117.935 0.029 17857 4643 1 9 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.099 0.070 17857 4644 1 9 . 1 1 68 68 GLU C C 68 176.201 176.201 175.100 1.101 17857 4645 1 9 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.020 0.308 17857 4646 1 9 . 1 1 68 68 GLU CB C 68 33.900 33.900 34.245 -0.345 17857 4647 1 9 . 1 1 68 68 GLU H H 68 8.415 8.415 8.152 0.263 17857 4648 1 9 . 1 1 69 69 VAL N N 69 116.232 116.232 115.731 0.501 17857 4649 1 9 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.638 0.263 17857 4650 1 9 . 1 1 69 69 VAL C C 69 174.378 174.378 174.922 -0.544 17857 4651 1 9 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.817 -0.266 17857 4652 1 9 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.066 0.032 17857 4653 1 9 . 1 1 69 69 VAL H H 69 9.134 9.134 8.939 0.195 17857 4654 1 9 . 1 1 70 70 ASP N N 70 121.337 121.337 123.360 -2.023 17857 4655 1 9 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.776 0.755 17857 4656 1 9 . 1 1 70 70 ASP C C 70 176.081 176.081 176.031 0.050 17857 4657 1 9 . 1 1 70 70 ASP CA C 70 51.315 51.315 55.448 -4.133 17857 4658 1 9 . 1 1 70 70 ASP CB C 70 42.873 42.873 42.394 0.479 17857 4659 1 9 . 1 1 70 70 ASP H H 70 8.233 8.233 8.397 -0.164 17857 4660 1 9 . 1 1 71 71 PHE N N 71 119.131 119.131 118.501 0.630 17857 4661 1 9 . 1 1 71 71 PHE HA H 71 3.449 3.449 4.577 -1.128 17857 4662 1 9 . 1 1 71 71 PHE C C 71 176.693 176.693 175.188 1.505 17857 4663 1 9 . 1 1 71 71 PHE CA C 71 61.576 61.576 59.308 2.268 17857 4664 1 9 . 1 1 71 71 PHE CB C 71 40.468 40.468 41.194 -0.726 17857 4665 1 9 . 1 1 71 71 PHE H H 71 9.370 9.370 7.559 1.811 17857 4666 1 9 . 1 1 72 72 GLN N N 72 116.462 116.462 119.811 -3.349 17857 4667 1 9 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.818 -0.380 17857 4668 1 9 . 1 1 72 72 GLN C C 72 177.396 177.396 177.745 -0.349 17857 4669 1 9 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.391 1.376 17857 4670 1 9 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.795 -0.012 17857 4671 1 9 . 1 1 72 72 GLN H H 72 8.096 8.096 8.133 -0.037 17857 4672 1 9 . 1 1 73 73 GLU N N 73 119.541 119.541 118.759 0.782 17857 4673 1 9 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.094 -0.107 17857 4674 1 9 . 1 1 73 73 GLU C C 73 178.861 178.861 178.762 0.099 17857 4675 1 9 . 1 1 73 73 GLU CA C 73 59.279 59.279 59.100 0.179 17857 4676 1 9 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.068 1.238 17857 4677 1 9 . 1 1 73 73 GLU H H 73 8.139 8.139 8.526 -0.387 17857 4678 1 9 . 1 1 74 74 TYR N N 74 122.065 122.065 119.987 2.078 17857 4679 1 9 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.296 0.026 17857 4680 1 9 . 1 1 74 74 TYR C C 74 175.562 175.562 176.697 -1.135 17857 4681 1 9 . 1 1 74 74 TYR CA C 74 60.327 60.327 60.950 -0.623 17857 4682 1 9 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.529 -1.662 17857 4683 1 9 . 1 1 74 74 TYR H H 74 8.157 8.157 7.637 0.520 17857 4684 1 9 . 1 1 75 75 VAL N N 75 119.872 119.872 115.847 4.025 17857 4685 1 9 . 1 1 75 75 VAL HA H 75 2.670 2.670 3.101 -0.431 17857 4686 1 9 . 1 1 75 75 VAL C C 75 177.425 177.425 177.540 -0.115 17857 4687 1 9 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.409 1.592 17857 4688 1 9 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.875 -0.174 17857 4689 1 9 . 1 1 75 75 VAL H H 75 7.915 7.915 7.521 0.394 17857 4690 1 9 . 1 1 76 76 VAL N N 76 119.169 119.169 120.780 -1.611 17857 4691 1 9 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.540 -0.190 17857 4692 1 9 . 1 1 76 76 VAL C C 76 178.933 178.933 178.071 0.862 17857 4693 1 9 . 1 1 76 76 VAL CA C 76 66.800 66.800 66.401 0.399 17857 4694 1 9 . 1 1 76 76 VAL CB C 76 31.600 31.600 30.917 0.683 17857 4695 1 9 . 1 1 76 76 VAL H H 76 7.545 7.545 7.330 0.215 17857 4696 1 9 . 1 1 77 77 LEU N N 77 121.356 121.356 119.300 2.056 17857 4697 1 9 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.889 0.290 17857 4698 1 9 . 1 1 77 77 LEU C C 77 179.226 179.226 178.899 0.327 17857 4699 1 9 . 1 1 77 77 LEU CA C 77 58.273 58.273 58.020 0.253 17857 4700 1 9 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.141 0.852 17857 4701 1 9 . 1 1 77 77 LEU H H 77 7.789 7.789 7.264 0.525 17857 4702 1 9 . 1 1 78 78 VAL N N 78 119.358 119.358 118.026 1.332 17857 4703 1 9 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.407 0.046 17857 4704 1 9 . 1 1 78 78 VAL C C 78 180.653 180.653 177.928 2.725 17857 4705 1 9 . 1 1 78 78 VAL CA C 78 67.253 67.253 66.792 0.461 17857 4706 1 9 . 1 1 78 78 VAL CB C 78 31.392 31.392 31.060 0.332 17857 4707 1 9 . 1 1 78 78 VAL H H 78 8.350 8.350 7.167 1.183 17857 4708 1 9 . 1 1 79 79 ALA N N 79 125.018 125.018 118.963 6.055 17857 4709 1 9 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.118 -0.080 17857 4710 1 9 . 1 1 79 79 ALA C C 79 178.321 178.321 178.695 -0.374 17857 4711 1 9 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.821 2.260 17857 4712 1 9 . 1 1 79 79 ALA CB C 79 18.289 18.289 17.997 0.292 17857 4713 1 9 . 1 1 79 79 ALA H H 79 9.009 9.009 7.729 1.280 17857 4714 1 9 . 1 1 80 80 ALA N N 80 121.933 121.933 123.534 -1.601 17857 4715 1 9 . 1 1 80 80 ALA HA H 80 4.003 4.003 4.030 -0.027 17857 4716 1 9 . 1 1 80 80 ALA C C 80 181.548 181.548 179.254 2.294 17857 4717 1 9 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.901 0.518 17857 4718 1 9 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.200 -0.531 17857 4719 1 9 . 1 1 80 80 ALA H H 80 8.311 8.311 7.845 0.466 17857 4720 1 9 . 1 1 81 81 LEU N N 81 117.563 117.563 114.289 3.274 17857 4721 1 9 . 1 1 81 81 LEU HA H 81 4.033 4.033 4.037 -0.004 17857 4722 1 9 . 1 1 81 81 LEU C C 81 178.536 178.536 178.451 0.085 17857 4723 1 9 . 1 1 81 81 LEU CA C 81 57.663 57.663 56.952 0.711 17857 4724 1 9 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.224 0.729 17857 4725 1 9 . 1 1 81 81 LEU H H 81 8.056 8.056 7.547 0.509 17857 4726 1 9 . 1 1 82 82 THR N N 82 117.473 117.473 116.014 1.459 17857 4727 1 9 . 1 1 82 82 THR HA H 82 3.669 3.669 3.215 0.454 17857 4728 1 9 . 1 1 82 82 THR C C 82 176.658 176.658 176.082 0.576 17857 4729 1 9 . 1 1 82 82 THR CA C 82 68.836 68.836 66.224 2.612 17857 4730 1 9 . 1 1 82 82 THR CB C 82 67.515 67.515 68.241 -0.726 17857 4731 1 9 . 1 1 82 82 THR H H 82 8.299 8.299 7.187 1.112 17857 4732 1 9 . 1 1 83 83 VAL N N 83 121.111 121.111 120.762 0.349 17857 4733 1 9 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.614 -0.488 17857 4734 1 9 . 1 1 83 83 VAL C C 83 176.323 176.323 177.060 -0.737 17857 4735 1 9 . 1 1 83 83 VAL CA C 83 65.247 65.247 65.412 -0.165 17857 4736 1 9 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.585 -0.563 17857 4737 1 9 . 1 1 83 83 VAL H H 83 7.953 7.953 7.482 0.471 17857 4738 1 9 . 1 1 84 84 ALA N N 84 117.068 117.068 120.690 -3.622 17857 4739 1 9 . 1 1 84 84 ALA HA H 84 4.573 4.573 4.072 0.501 17857 4740 1 9 . 1 1 84 84 ALA C C 84 177.919 177.919 177.346 0.573 17857 4741 1 9 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.491 -0.471 17857 4742 1 9 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.714 2.229 17857 4743 1 9 . 1 1 84 84 ALA H H 84 7.105 7.105 7.343 -0.238 17857 4744 1 9 . 1 1 85 85 CYS N N 85 112.195 112.195 111.932 0.263 17857 4745 1 9 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.652 -0.112 17857 4746 1 9 . 1 1 85 85 CYS C C 85 173.282 173.282 174.779 -1.497 17857 4747 1 9 . 1 1 85 85 CYS CA C 85 60.342 60.342 58.208 2.134 17857 4748 1 9 . 1 1 85 85 CYS CB C 85 32.440 32.440 29.354 3.086 17857 4749 1 9 . 1 1 85 85 CYS H H 85 7.371 7.371 7.687 -0.316 17857 4750 1 9 . 1 1 86 86 ASN N N 86 118.815 118.815 121.374 -2.559 17857 4751 1 9 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.702 -0.205 17857 4752 1 9 . 1 1 86 86 ASN CA C 86 54.737 54.737 55.518 -0.781 17857 4753 1 9 . 1 1 86 86 ASN CB C 86 42.130 42.130 38.655 3.475 17857 4754 1 9 . 1 1 86 86 ASN H H 86 8.347 8.347 8.194 0.153 17857 4755 1 9 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.542 -0.217 17857 4756 1 9 . 1 1 87 87 ASN C C 87 176.216 176.216 174.741 1.475 17857 4757 1 9 . 1 1 87 87 ASN CA C 87 56.570 56.570 53.826 2.744 17857 4758 1 9 . 1 1 87 87 ASN CB C 87 38.479 38.479 37.054 1.425 17857 4759 1 9 . 1 1 88 88 PHE N N 88 120.522 120.522 119.978 0.544 17857 4760 1 9 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.402 -0.305 17857 4761 1 9 . 1 1 88 88 PHE C C 88 176.803 176.803 175.644 1.159 17857 4762 1 9 . 1 1 88 88 PHE CA C 88 61.023 61.023 60.626 0.397 17857 4763 1 9 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.661 0.021 17857 4764 1 9 . 1 1 88 88 PHE H H 88 8.642 8.642 8.794 -0.152 17857 4765 1 9 . 1 1 89 89 PHE N N 89 112.727 112.727 117.438 -4.711 17857 4766 1 9 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.815 -1.012 17857 4767 1 9 . 1 1 89 89 PHE C C 89 173.691 173.691 174.606 -0.915 17857 4768 1 9 . 1 1 89 89 PHE CA C 89 59.208 59.208 57.422 1.786 17857 4769 1 9 . 1 1 89 89 PHE CB C 89 39.029 39.029 40.497 -1.468 17857 4770 1 9 . 1 1 89 89 PHE H H 89 7.408 7.408 8.208 -0.800 17857 4771 1 9 . 1 1 90 90 TRP N N 90 118.731 118.731 123.221 -4.490 17857 4772 1 9 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.412 0.178 17857 4773 1 9 . 1 1 90 90 TRP C C 90 175.269 175.269 175.661 -0.392 17857 4774 1 9 . 1 1 90 90 TRP CA C 90 56.840 56.840 58.583 -1.743 17857 4775 1 9 . 1 1 90 90 TRP CB C 90 31.400 31.400 27.372 4.028 17857 4776 1 9 . 1 1 90 90 TRP H H 90 7.359 7.359 8.347 -0.988 17857 4777 1 9 . 1 1 91 91 GLU N N 91 121.302 121.302 119.620 1.682 17857 4778 1 9 . 1 1 91 91 GLU HA H 91 4.342 4.342 3.783 0.559 17857 4779 1 9 . 1 1 91 91 GLU C C 91 176.081 176.081 175.846 0.235 17857 4780 1 9 . 1 1 91 91 GLU CA C 91 56.857 56.857 56.947 -0.090 17857 4781 1 9 . 1 1 91 91 GLU CB C 91 30.548 30.548 29.140 1.407 17857 4782 1 9 . 1 1 91 91 GLU H H 91 7.766 7.766 8.030 -0.264 17857 4783 1 9 . 1 1 92 92 ASN N N 92 120.522 120.522 119.858 0.664 17857 4784 1 9 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.376 0.391 17857 4785 1 9 . 1 1 92 92 ASN C C 92 174.283 174.283 175.530 -1.247 17857 4786 1 9 . 1 1 92 92 ASN CA C 92 53.407 53.407 55.072 -1.665 17857 4787 1 9 . 1 1 92 92 ASN CB C 92 39.276 39.276 38.489 0.787 17857 4788 1 9 . 1 1 92 92 ASN H H 92 8.462 8.462 8.492 -0.030 17857 4789 1 10 . 1 1 2 2 SER N N 2 118.698 118.698 115.924 2.774 17857 4790 1 10 . 1 1 2 2 SER HA H 2 4.691 4.691 4.552 0.139 17857 4791 1 10 . 1 1 2 2 SER C C 2 175.496 175.496 175.842 -0.346 17857 4792 1 10 . 1 1 2 2 SER CA C 2 57.481 57.481 57.096 0.385 17857 4793 1 10 . 1 1 2 2 SER CB C 2 65.371 65.371 64.415 0.956 17857 4794 1 10 . 1 1 2 2 SER H H 2 9.211 9.211 7.827 1.384 17857 4795 1 10 . 1 1 3 3 GLU N N 3 122.860 122.860 121.984 0.876 17857 4796 1 10 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.114 0.001 17857 4797 1 10 . 1 1 3 3 GLU C C 3 179.171 179.171 178.043 1.128 17857 4798 1 10 . 1 1 3 3 GLU CA C 3 60.757 60.757 58.797 1.960 17857 4799 1 10 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.533 -0.494 17857 4800 1 10 . 1 1 3 3 GLU H H 3 9.205 9.205 9.022 0.183 17857 4801 1 10 . 1 1 4 4 LEU N N 4 120.718 120.718 119.334 1.384 17857 4802 1 10 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.220 -0.184 17857 4803 1 10 . 1 1 4 4 LEU C C 4 178.360 178.360 177.873 0.487 17857 4804 1 10 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.067 0.844 17857 4805 1 10 . 1 1 4 4 LEU CB C 4 42.362 42.362 42.232 0.130 17857 4806 1 10 . 1 1 4 4 LEU H H 4 8.854 8.854 7.447 1.407 17857 4807 1 10 . 1 1 5 5 GLU N N 5 118.542 118.542 118.900 -0.358 17857 4808 1 10 . 1 1 5 5 GLU HA H 5 3.255 3.255 4.024 -0.769 17857 4809 1 10 . 1 1 5 5 GLU C C 5 179.204 179.204 178.934 0.270 17857 4810 1 10 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.400 0.417 17857 4811 1 10 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.352 -0.149 17857 4812 1 10 . 1 1 5 5 GLU H H 5 7.791 7.791 7.766 0.025 17857 4813 1 10 . 1 1 6 6 THR N N 6 115.783 115.783 114.112 1.671 17857 4814 1 10 . 1 1 6 6 THR HA H 6 4.017 4.017 4.148 -0.131 17857 4815 1 10 . 1 1 6 6 THR C C 6 176.807 176.807 176.019 0.788 17857 4816 1 10 . 1 1 6 6 THR CA C 6 66.668 66.668 64.698 1.970 17857 4817 1 10 . 1 1 6 6 THR CB C 6 68.763 68.763 68.634 0.129 17857 4818 1 10 . 1 1 6 6 THR H H 6 8.371 8.371 7.616 0.755 17857 4819 1 10 . 1 1 7 7 ALA N N 7 125.707 125.707 124.893 0.814 17857 4820 1 10 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.044 0.228 17857 4821 1 10 . 1 1 7 7 ALA C C 7 179.856 179.856 179.616 0.240 17857 4822 1 10 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.324 0.378 17857 4823 1 10 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.098 0.132 17857 4824 1 10 . 1 1 7 7 ALA H H 7 8.267 8.267 7.452 0.815 17857 4825 1 10 . 1 1 8 8 MET N N 8 115.222 115.222 116.889 -1.667 17857 4826 1 10 . 1 1 8 8 MET HA H 8 4.858 4.858 4.340 0.518 17857 4827 1 10 . 1 1 8 8 MET C C 8 179.635 179.635 178.713 0.922 17857 4828 1 10 . 1 1 8 8 MET CA C 8 56.669 56.669 58.033 -1.364 17857 4829 1 10 . 1 1 8 8 MET CB C 8 29.136 29.136 31.865 -2.729 17857 4830 1 10 . 1 1 8 8 MET H H 8 8.106 8.106 7.691 0.415 17857 4831 1 10 . 1 1 9 9 GLU N N 9 120.456 120.456 119.274 1.182 17857 4832 1 10 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.102 0.013 17857 4833 1 10 . 1 1 9 9 GLU C C 9 179.531 179.531 179.369 0.162 17857 4834 1 10 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.462 1.169 17857 4835 1 10 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.078 -0.101 17857 4836 1 10 . 1 1 9 9 GLU H H 9 8.658 8.658 7.785 0.873 17857 4837 1 10 . 1 1 10 10 THR N N 10 118.547 118.547 116.983 1.564 17857 4838 1 10 . 1 1 10 10 THR HA H 10 4.116 4.116 4.209 -0.093 17857 4839 1 10 . 1 1 10 10 THR C C 10 175.942 175.942 176.302 -0.360 17857 4840 1 10 . 1 1 10 10 THR CA C 10 67.521 67.521 66.443 1.078 17857 4841 1 10 . 1 1 10 10 THR CB C 10 67.933 67.933 68.767 -0.834 17857 4842 1 10 . 1 1 10 10 THR H H 10 8.417 8.417 7.861 0.556 17857 4843 1 10 . 1 1 11 11 LEU N N 11 121.715 121.715 122.842 -1.127 17857 4844 1 10 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.248 -0.181 17857 4845 1 10 . 1 1 11 11 LEU C C 11 181.784 181.784 179.014 2.770 17857 4846 1 10 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.637 1.806 17857 4847 1 10 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.221 -0.228 17857 4848 1 10 . 1 1 11 11 LEU H H 11 8.324 8.324 7.660 0.664 17857 4849 1 10 . 1 1 12 12 ILE N N 12 121.081 121.081 118.583 2.498 17857 4850 1 10 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.971 -0.407 17857 4851 1 10 . 1 1 12 12 ILE C C 12 176.221 176.221 176.761 -0.540 17857 4852 1 10 . 1 1 12 12 ILE CA C 12 66.178 66.178 63.923 2.255 17857 4853 1 10 . 1 1 12 12 ILE CB C 12 38.395 38.395 38.081 0.314 17857 4854 1 10 . 1 1 12 12 ILE H H 12 8.419 8.419 8.597 -0.178 17857 4855 1 10 . 1 1 13 13 ASN N N 13 120.254 120.254 119.095 1.159 17857 4856 1 10 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.673 -0.303 17857 4857 1 10 . 1 1 13 13 ASN C C 13 179.124 179.124 177.501 1.623 17857 4858 1 10 . 1 1 13 13 ASN CA C 13 56.615 56.615 56.124 0.491 17857 4859 1 10 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.193 -0.038 17857 4860 1 10 . 1 1 13 13 ASN H H 13 8.593 8.593 7.880 0.713 17857 4861 1 10 . 1 1 14 14 VAL N N 14 121.599 121.599 116.247 5.352 17857 4862 1 10 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.737 0.119 17857 4863 1 10 . 1 1 14 14 VAL C C 14 177.155 177.155 177.083 0.072 17857 4864 1 10 . 1 1 14 14 VAL CA C 14 66.705 66.705 65.172 1.533 17857 4865 1 10 . 1 1 14 14 VAL CB C 14 31.884 31.884 30.868 1.016 17857 4866 1 10 . 1 1 14 14 VAL H H 14 8.838 8.838 7.262 1.576 17857 4867 1 10 . 1 1 15 15 PHE N N 15 120.139 120.139 123.344 -3.205 17857 4868 1 10 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.801 -0.202 17857 4869 1 10 . 1 1 15 15 PHE C C 15 177.601 177.601 176.619 0.982 17857 4870 1 10 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.734 -0.335 17857 4871 1 10 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.038 0.594 17857 4872 1 10 . 1 1 15 15 PHE H H 15 7.456 7.456 7.479 -0.023 17857 4873 1 10 . 1 1 16 16 HIS N N 16 118.175 118.175 117.680 0.495 17857 4874 1 10 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.286 0.857 17857 4875 1 10 . 1 1 16 16 HIS C C 16 177.972 177.972 177.241 0.731 17857 4876 1 10 . 1 1 16 16 HIS CA C 16 55.795 55.795 58.179 -2.384 17857 4877 1 10 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.398 1.929 17857 4878 1 10 . 1 1 16 16 HIS H H 16 9.137 9.137 8.446 0.691 17857 4879 1 10 . 1 1 17 17 ALA N N 17 121.734 121.734 122.322 -0.588 17857 4880 1 10 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.067 -0.247 17857 4881 1 10 . 1 1 17 17 ALA C C 17 178.713 178.713 179.502 -0.789 17857 4882 1 10 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.497 0.120 17857 4883 1 10 . 1 1 17 17 ALA CB C 17 17.700 17.700 17.839 -0.139 17857 4884 1 10 . 1 1 17 17 ALA H H 17 8.133 8.133 6.849 1.284 17857 4885 1 10 . 1 1 18 18 HIS N N 18 113.408 113.408 116.854 -3.446 17857 4886 1 10 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.282 0.038 17857 4887 1 10 . 1 1 18 18 HIS CA C 18 57.837 57.837 59.139 -1.302 17857 4888 1 10 . 1 1 18 18 HIS CB C 18 32.648 32.648 29.764 2.884 17857 4889 1 10 . 1 1 18 18 HIS H H 18 7.286 7.286 8.193 -0.907 17857 4890 1 10 . 1 1 19 19 SER N N 19 120.877 120.877 116.479 4.398 17857 4891 1 10 . 1 1 19 19 SER HA H 19 4.124 4.124 4.012 0.112 17857 4892 1 10 . 1 1 19 19 SER C C 19 176.676 176.676 176.958 -0.282 17857 4893 1 10 . 1 1 19 19 SER CA C 19 60.979 60.979 61.211 -0.232 17857 4894 1 10 . 1 1 19 19 SER CB C 19 61.813 61.813 62.706 -0.893 17857 4895 1 10 . 1 1 19 19 SER H H 19 9.322 9.322 8.661 0.661 17857 4896 1 10 . 1 1 20 20 GLY N N 20 107.206 107.206 109.905 -2.699 17857 4897 1 10 . 1 1 20 20 GLY C C 20 174.913 174.913 174.538 0.375 17857 4898 1 10 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.489 -0.208 17857 4899 1 10 . 1 1 20 20 GLY H H 20 8.233 8.233 7.787 0.446 17857 4900 1 10 . 1 1 21 21 LYS N N 21 118.717 118.717 120.535 -1.818 17857 4901 1 10 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.182 -0.141 17857 4902 1 10 . 1 1 21 21 LYS C C 21 176.623 176.623 176.319 0.304 17857 4903 1 10 . 1 1 21 21 LYS CA C 21 58.185 58.185 56.384 1.801 17857 4904 1 10 . 1 1 21 21 LYS CB C 21 33.157 33.157 32.896 0.261 17857 4905 1 10 . 1 1 21 21 LYS H H 21 7.333 7.333 7.447 -0.114 17857 4906 1 10 . 1 1 22 22 GLU N N 22 116.257 116.257 119.214 -2.957 17857 4907 1 10 . 1 1 22 22 GLU HA H 22 4.441 4.441 3.968 0.473 17857 4908 1 10 . 1 1 22 22 GLU C C 22 175.554 175.554 177.166 -1.612 17857 4909 1 10 . 1 1 22 22 GLU CA C 22 55.488 55.488 57.475 -1.987 17857 4910 1 10 . 1 1 22 22 GLU CB C 22 31.892 31.892 29.671 2.221 17857 4911 1 10 . 1 1 22 22 GLU H H 22 7.603 7.603 8.379 -0.776 17857 4912 1 10 . 1 1 23 23 GLY N N 23 108.614 108.614 110.550 -1.936 17857 4913 1 10 . 1 1 23 23 GLY C C 23 173.976 173.976 173.643 0.333 17857 4914 1 10 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.296 1.728 17857 4915 1 10 . 1 1 23 23 GLY H H 23 8.261 8.261 8.411 -0.150 17857 4916 1 10 . 1 1 24 24 ASP N N 24 124.252 124.252 122.982 1.270 17857 4917 1 10 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.688 -0.129 17857 4918 1 10 . 1 1 24 24 ASP C C 24 177.376 177.376 176.800 0.576 17857 4919 1 10 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.452 -0.628 17857 4920 1 10 . 1 1 24 24 ASP CB C 24 42.692 42.692 40.717 1.976 17857 4921 1 10 . 1 1 24 24 ASP H H 24 8.313 8.313 8.563 -0.250 17857 4922 1 10 . 1 1 25 25 LYS N N 25 125.006 125.006 121.114 3.892 17857 4923 1 10 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.076 0.061 17857 4924 1 10 . 1 1 25 25 LYS C C 25 175.980 175.980 176.088 -0.108 17857 4925 1 10 . 1 1 25 25 LYS CA C 25 57.436 57.436 57.716 -0.280 17857 4926 1 10 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.428 -0.083 17857 4927 1 10 . 1 1 25 25 LYS H H 25 8.327 8.327 8.273 0.054 17857 4928 1 10 . 1 1 26 26 TYR N N 26 117.300 117.300 118.603 -1.303 17857 4929 1 10 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.391 0.695 17857 4930 1 10 . 1 1 26 26 TYR C C 26 175.592 175.592 176.225 -0.633 17857 4931 1 10 . 1 1 26 26 TYR CA C 26 57.552 57.552 60.117 -2.565 17857 4932 1 10 . 1 1 26 26 TYR CB C 26 38.052 38.052 38.426 -0.374 17857 4933 1 10 . 1 1 26 26 TYR H H 26 8.490 8.490 8.013 0.477 17857 4934 1 10 . 1 1 27 27 LYS N N 27 117.820 117.820 116.731 1.089 17857 4935 1 10 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.807 0.696 17857 4936 1 10 . 1 1 27 27 LYS C C 27 174.259 174.259 175.268 -1.009 17857 4937 1 10 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.536 -0.442 17857 4938 1 10 . 1 1 27 27 LYS CB C 27 37.626 37.626 35.359 2.267 17857 4939 1 10 . 1 1 27 27 LYS H H 27 7.793 7.793 7.629 0.164 17857 4940 1 10 . 1 1 28 28 LEU N N 28 120.282 120.282 122.159 -1.877 17857 4941 1 10 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.584 0.164 17857 4942 1 10 . 1 1 28 28 LEU C C 28 176.038 176.038 175.792 0.246 17857 4943 1 10 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.705 -0.663 17857 4944 1 10 . 1 1 28 28 LEU CB C 28 46.382 46.382 45.823 0.559 17857 4945 1 10 . 1 1 28 28 LEU H H 28 8.692 8.692 8.324 0.368 17857 4946 1 10 . 1 1 29 29 SER N N 29 119.669 119.669 118.347 1.322 17857 4947 1 10 . 1 1 29 29 SER HA H 29 5.121 5.121 4.646 0.475 17857 4948 1 10 . 1 1 29 29 SER C C 29 175.936 175.936 175.237 0.699 17857 4949 1 10 . 1 1 29 29 SER CA C 29 57.760 57.760 58.369 -0.609 17857 4950 1 10 . 1 1 29 29 SER CB C 29 64.689 64.689 63.958 0.731 17857 4951 1 10 . 1 1 29 29 SER H H 29 8.797 8.797 8.725 0.072 17857 4952 1 10 . 1 1 30 30 LYS N N 30 124.194 124.194 120.963 3.231 17857 4953 1 10 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.387 -0.526 17857 4954 1 10 . 1 1 30 30 LYS C C 30 178.523 178.523 178.469 0.054 17857 4955 1 10 . 1 1 30 30 LYS CA C 30 61.591 61.591 58.682 2.909 17857 4956 1 10 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.866 -0.862 17857 4957 1 10 . 1 1 30 30 LYS H H 30 8.842 8.842 8.544 0.298 17857 4958 1 10 . 1 1 31 31 LYS N N 31 119.922 119.922 119.763 0.159 17857 4959 1 10 . 1 1 31 31 LYS HA H 31 4.157 4.157 3.937 0.220 17857 4960 1 10 . 1 1 31 31 LYS C C 31 179.293 179.293 178.892 0.401 17857 4961 1 10 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.726 -0.300 17857 4962 1 10 . 1 1 31 31 LYS CB C 31 32.586 32.586 31.885 0.701 17857 4963 1 10 . 1 1 31 31 LYS H H 31 8.786 8.786 8.521 0.265 17857 4964 1 10 . 1 1 32 32 GLN N N 32 119.859 119.859 117.256 2.603 17857 4965 1 10 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.075 0.042 17857 4966 1 10 . 1 1 32 32 GLN C C 32 179.272 179.272 178.130 1.142 17857 4967 1 10 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.405 -0.227 17857 4968 1 10 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.177 0.643 17857 4969 1 10 . 1 1 32 32 GLN H H 32 7.769 7.769 8.066 -0.297 17857 4970 1 10 . 1 1 33 33 LEU N N 33 122.146 122.146 121.591 0.555 17857 4971 1 10 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.916 0.129 17857 4972 1 10 . 1 1 33 33 LEU C C 33 177.408 177.408 178.207 -0.799 17857 4973 1 10 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.333 -0.998 17857 4974 1 10 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.759 -1.212 17857 4975 1 10 . 1 1 33 33 LEU H H 33 8.918 8.918 7.690 1.228 17857 4976 1 10 . 1 1 34 34 LYS N N 34 120.726 120.726 117.844 2.882 17857 4977 1 10 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.942 -0.316 17857 4978 1 10 . 1 1 34 34 LYS C C 34 177.675 177.675 178.811 -1.136 17857 4979 1 10 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.505 1.480 17857 4980 1 10 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.166 -0.166 17857 4981 1 10 . 1 1 34 34 LYS H H 34 8.423 8.423 7.676 0.747 17857 4982 1 10 . 1 1 35 35 GLU N N 35 116.999 116.999 119.320 -2.321 17857 4983 1 10 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.078 -0.008 17857 4984 1 10 . 1 1 35 35 GLU C C 35 179.003 179.003 178.983 0.020 17857 4985 1 10 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.227 0.275 17857 4986 1 10 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.848 -0.453 17857 4987 1 10 . 1 1 35 35 GLU H H 35 7.186 7.186 7.449 -0.263 17857 4988 1 10 . 1 1 36 36 LEU N N 36 122.908 122.908 118.320 4.588 17857 4989 1 10 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.200 -0.487 17857 4990 1 10 . 1 1 36 36 LEU C C 36 178.810 178.810 178.724 0.086 17857 4991 1 10 . 1 1 36 36 LEU CA C 36 59.433 59.433 57.904 1.529 17857 4992 1 10 . 1 1 36 36 LEU CB C 36 42.303 42.303 40.924 1.379 17857 4993 1 10 . 1 1 36 36 LEU H H 36 8.141 8.141 8.347 -0.206 17857 4994 1 10 . 1 1 37 37 LEU N N 37 119.746 119.746 120.232 -0.486 17857 4995 1 10 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.917 -0.228 17857 4996 1 10 . 1 1 37 37 LEU C C 37 178.128 178.128 179.504 -1.376 17857 4997 1 10 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.289 0.127 17857 4998 1 10 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.334 0.188 17857 4999 1 10 . 1 1 37 37 LEU H H 37 8.772 8.772 8.465 0.307 17857 5000 1 10 . 1 1 38 38 GLN N N 38 113.312 113.312 116.283 -2.971 17857 5001 1 10 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.106 -0.339 17857 5002 1 10 . 1 1 38 38 GLN C C 38 177.536 177.536 177.682 -0.146 17857 5003 1 10 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.457 0.329 17857 5004 1 10 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.863 0.151 17857 5005 1 10 . 1 1 38 38 GLN H H 38 8.082 8.082 8.030 0.052 17857 5006 1 10 . 1 1 39 39 THR N N 39 109.779 109.779 113.069 -3.290 17857 5007 1 10 . 1 1 39 39 THR HA H 39 4.312 4.312 4.207 0.105 17857 5008 1 10 . 1 1 39 39 THR C C 39 176.802 176.802 175.956 0.846 17857 5009 1 10 . 1 1 39 39 THR CA C 39 64.576 64.576 64.669 -0.094 17857 5010 1 10 . 1 1 39 39 THR CB C 39 69.847 69.847 69.102 0.745 17857 5011 1 10 . 1 1 39 39 THR H H 39 7.683 7.683 7.431 0.252 17857 5012 1 10 . 1 1 40 40 GLU N N 40 118.440 118.440 120.705 -2.265 17857 5013 1 10 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.323 0.393 17857 5014 1 10 . 1 1 40 40 GLU C C 40 177.106 177.106 178.089 -0.983 17857 5015 1 10 . 1 1 40 40 GLU CA C 40 56.922 56.922 58.419 -1.496 17857 5016 1 10 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.226 0.036 17857 5017 1 10 . 1 1 40 40 GLU H H 40 8.971 8.971 8.636 0.335 17857 5018 1 10 . 1 1 41 41 LEU N N 41 119.219 119.219 118.775 0.444 17857 5019 1 10 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.434 0.694 17857 5020 1 10 . 1 1 41 41 LEU C C 41 177.669 177.669 177.883 -0.214 17857 5021 1 10 . 1 1 41 41 LEU CA C 41 53.300 53.300 55.766 -2.466 17857 5022 1 10 . 1 1 41 41 LEU CB C 41 42.208 42.208 43.077 -0.869 17857 5023 1 10 . 1 1 41 41 LEU H H 41 7.733 7.733 7.921 -0.188 17857 5024 1 10 . 1 1 42 42 SER N N 42 112.897 112.897 112.915 -0.018 17857 5025 1 10 . 1 1 42 42 SER HA H 42 3.880 3.880 4.076 -0.196 17857 5026 1 10 . 1 1 42 42 SER C C 42 176.429 176.429 174.468 1.961 17857 5027 1 10 . 1 1 42 42 SER CA C 42 61.867 61.867 59.329 2.538 17857 5028 1 10 . 1 1 42 42 SER CB C 42 62.864 62.864 62.432 0.432 17857 5029 1 10 . 1 1 42 42 SER H H 42 6.915 6.915 8.078 -1.163 17857 5030 1 10 . 1 1 43 43 GLY N N 43 114.357 114.357 106.256 8.101 17857 5031 1 10 . 1 1 43 43 GLY C C 43 178.051 178.051 175.221 2.830 17857 5032 1 10 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.278 1.566 17857 5033 1 10 . 1 1 43 43 GLY H H 43 9.244 9.244 8.195 1.049 17857 5034 1 10 . 1 1 44 44 PHE N N 44 124.297 124.297 121.670 2.627 17857 5035 1 10 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.159 0.434 17857 5036 1 10 . 1 1 44 44 PHE C C 44 178.168 178.168 177.228 0.940 17857 5037 1 10 . 1 1 44 44 PHE CA C 44 57.510 57.510 61.104 -3.594 17857 5038 1 10 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.801 -2.658 17857 5039 1 10 . 1 1 44 44 PHE H H 44 8.273 8.273 8.211 0.062 17857 5040 1 10 . 1 1 45 45 LEU N N 45 116.097 116.097 113.288 2.809 17857 5041 1 10 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.143 0.033 17857 5042 1 10 . 1 1 45 45 LEU C C 45 179.069 179.069 177.225 1.844 17857 5043 1 10 . 1 1 45 45 LEU CA C 45 57.580 57.580 55.867 1.713 17857 5044 1 10 . 1 1 45 45 LEU CB C 45 41.377 41.377 40.606 0.771 17857 5045 1 10 . 1 1 45 45 LEU H H 45 8.559 8.559 8.072 0.487 17857 5046 1 10 . 1 1 46 46 ASP N N 46 119.849 119.849 120.652 -0.803 17857 5047 1 10 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.621 0.092 17857 5048 1 10 . 1 1 46 46 ASP C C 46 176.152 176.152 176.053 0.099 17857 5049 1 10 . 1 1 46 46 ASP CA C 46 55.845 55.845 54.592 1.253 17857 5050 1 10 . 1 1 46 46 ASP CB C 46 41.640 41.640 41.621 0.019 17857 5051 1 10 . 1 1 46 46 ASP H H 46 7.707 7.707 8.236 -0.529 17857 5052 1 10 . 1 1 47 47 ALA N N 47 124.027 124.027 121.635 2.392 17857 5053 1 10 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.678 -0.070 17857 5054 1 10 . 1 1 47 47 ALA C C 47 176.271 176.271 175.339 0.932 17857 5055 1 10 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.524 -1.803 17857 5056 1 10 . 1 1 47 47 ALA CB C 47 18.985 18.985 20.311 -1.326 17857 5057 1 10 . 1 1 47 47 ALA H H 47 7.710 7.710 7.801 -0.091 17857 5058 1 10 . 1 1 48 48 GLN N N 48 117.138 117.138 121.790 -4.652 17857 5059 1 10 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.302 -0.187 17857 5060 1 10 . 1 1 48 48 GLN C C 48 175.907 175.907 175.894 0.013 17857 5061 1 10 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.411 1.663 17857 5062 1 10 . 1 1 48 48 GLN CB C 48 30.504 30.504 28.041 2.463 17857 5063 1 10 . 1 1 48 48 GLN H H 48 7.562 7.562 8.546 -0.984 17857 5064 1 10 . 1 1 49 49 LYS N N 49 121.265 121.265 123.477 -2.212 17857 5065 1 10 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.257 -0.108 17857 5066 1 10 . 1 1 49 49 LYS C C 49 176.157 176.157 176.909 -0.752 17857 5067 1 10 . 1 1 49 49 LYS CA C 49 56.337 56.337 57.010 -0.673 17857 5068 1 10 . 1 1 49 49 LYS CB C 49 31.231 31.231 33.037 -1.806 17857 5069 1 10 . 1 1 49 49 LYS H H 49 7.974 7.974 8.366 -0.392 17857 5070 1 10 . 1 1 50 50 ASP N N 50 119.019 119.019 121.465 -2.446 17857 5071 1 10 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.435 0.247 17857 5072 1 10 . 1 1 50 50 ASP C C 50 175.466 175.466 176.968 -1.502 17857 5073 1 10 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.716 -2.906 17857 5074 1 10 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.231 -1.276 17857 5075 1 10 . 1 1 50 50 ASP H H 50 7.523 7.523 8.130 -0.607 17857 5076 1 10 . 1 1 51 51 VAL N N 51 121.906 121.906 124.797 -2.891 17857 5077 1 10 . 1 1 51 51 VAL HA H 51 3.861 3.861 3.926 -0.065 17857 5078 1 10 . 1 1 51 51 VAL C C 51 178.158 178.158 176.432 1.726 17857 5079 1 10 . 1 1 51 51 VAL CA C 51 64.804 64.804 64.715 0.089 17857 5080 1 10 . 1 1 51 51 VAL CB C 51 31.831 31.831 32.373 -0.542 17857 5081 1 10 . 1 1 51 51 VAL H H 51 7.618 7.618 8.377 -0.759 17857 5082 1 10 . 1 1 52 52 ASP N N 52 119.692 119.692 120.657 -0.965 17857 5083 1 10 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.351 0.008 17857 5084 1 10 . 1 1 52 52 ASP C C 52 178.427 178.427 178.534 -0.107 17857 5085 1 10 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.638 -0.279 17857 5086 1 10 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.594 1.327 17857 5087 1 10 . 1 1 52 52 ASP H H 52 8.081 8.081 8.596 -0.515 17857 5088 1 10 . 1 1 53 53 ALA N N 53 122.046 122.046 121.620 0.426 17857 5089 1 10 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.153 -0.133 17857 5090 1 10 . 1 1 53 53 ALA C C 53 180.602 180.602 179.472 1.130 17857 5091 1 10 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.784 -0.054 17857 5092 1 10 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.342 0.525 17857 5093 1 10 . 1 1 53 53 ALA H H 53 7.538 7.538 8.264 -0.726 17857 5094 1 10 . 1 1 54 54 VAL N N 54 117.817 117.817 117.801 0.016 17857 5095 1 10 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.686 -0.336 17857 5096 1 10 . 1 1 54 54 VAL C C 54 177.718 177.718 177.815 -0.097 17857 5097 1 10 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.888 0.779 17857 5098 1 10 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.061 0.654 17857 5099 1 10 . 1 1 54 54 VAL H H 54 7.286 7.286 7.489 -0.203 17857 5100 1 10 . 1 1 55 55 ASP N N 55 119.601 119.601 120.801 -1.200 17857 5101 1 10 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.453 -0.166 17857 5102 1 10 . 1 1 55 55 ASP C C 55 178.508 178.508 178.298 0.210 17857 5103 1 10 . 1 1 55 55 ASP CA C 55 57.618 57.618 57.078 0.540 17857 5104 1 10 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.834 0.393 17857 5105 1 10 . 1 1 55 55 ASP H H 55 8.456 8.456 8.304 0.152 17857 5106 1 10 . 1 1 56 56 LYS N N 56 117.890 117.890 120.775 -2.885 17857 5107 1 10 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.972 -0.037 17857 5108 1 10 . 1 1 56 56 LYS C C 56 179.509 179.509 178.873 0.636 17857 5109 1 10 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.818 0.071 17857 5110 1 10 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.477 0.043 17857 5111 1 10 . 1 1 56 56 LYS H H 56 7.921 7.921 7.745 0.176 17857 5112 1 10 . 1 1 57 57 VAL N N 57 119.196 119.196 119.626 -0.430 17857 5113 1 10 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.658 0.064 17857 5114 1 10 . 1 1 57 57 VAL C C 57 177.928 177.928 177.910 0.018 17857 5115 1 10 . 1 1 57 57 VAL CA C 57 66.218 66.218 66.155 0.063 17857 5116 1 10 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.954 0.377 17857 5117 1 10 . 1 1 57 57 VAL H H 57 7.292 7.292 7.580 -0.288 17857 5118 1 10 . 1 1 58 58 MET N N 58 115.902 115.902 116.918 -1.016 17857 5119 1 10 . 1 1 58 58 MET HA H 58 4.128 4.128 4.141 -0.013 17857 5120 1 10 . 1 1 58 58 MET C C 58 178.952 178.952 178.195 0.757 17857 5121 1 10 . 1 1 58 58 MET CA C 58 57.582 57.582 57.005 0.577 17857 5122 1 10 . 1 1 58 58 MET CB C 58 31.511 31.511 31.556 -0.045 17857 5123 1 10 . 1 1 58 58 MET H H 58 8.313 8.313 7.590 0.723 17857 5124 1 10 . 1 1 59 59 LYS N N 59 118.845 118.845 121.280 -2.435 17857 5125 1 10 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.953 0.119 17857 5126 1 10 . 1 1 59 59 LYS C C 59 179.149 179.149 178.688 0.461 17857 5127 1 10 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.666 -0.506 17857 5128 1 10 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.367 0.178 17857 5129 1 10 . 1 1 59 59 LYS H H 59 8.563 8.563 8.481 0.082 17857 5130 1 10 . 1 1 60 60 GLU N N 60 119.868 119.868 118.887 0.981 17857 5131 1 10 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.012 0.020 17857 5132 1 10 . 1 1 60 60 GLU C C 60 179.083 179.083 178.823 0.260 17857 5133 1 10 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.216 0.550 17857 5134 1 10 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.225 -0.468 17857 5135 1 10 . 1 1 60 60 GLU H H 60 7.467 7.467 8.334 -0.867 17857 5136 1 10 . 1 1 61 61 LEU N N 61 116.866 116.866 118.793 -1.927 17857 5137 1 10 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.063 -0.096 17857 5138 1 10 . 1 1 61 61 LEU C C 61 177.870 177.870 177.829 0.041 17857 5139 1 10 . 1 1 61 61 LEU CA C 61 57.251 57.251 58.104 -0.853 17857 5140 1 10 . 1 1 61 61 LEU CB C 61 40.770 40.770 42.130 -1.360 17857 5141 1 10 . 1 1 61 61 LEU H H 61 7.597 7.597 7.433 0.164 17857 5142 1 10 . 1 1 62 62 ASP N N 62 115.773 115.773 118.124 -2.351 17857 5143 1 10 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.436 0.051 17857 5144 1 10 . 1 1 62 62 ASP C C 62 178.871 178.871 179.520 -0.649 17857 5145 1 10 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.938 -0.817 17857 5146 1 10 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.256 1.570 17857 5147 1 10 . 1 1 62 62 ASP H H 62 7.509 7.509 8.254 -0.745 17857 5148 1 10 . 1 1 63 63 GLU N N 63 119.120 119.120 118.543 0.577 17857 5149 1 10 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.163 -0.032 17857 5150 1 10 . 1 1 63 63 GLU C C 63 176.937 176.937 177.336 -0.399 17857 5151 1 10 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.177 -0.124 17857 5152 1 10 . 1 1 63 63 GLU CB C 63 30.119 30.119 29.928 0.191 17857 5153 1 10 . 1 1 63 63 GLU H H 63 8.068 8.068 8.279 -0.211 17857 5154 1 10 . 1 1 64 64 ASN N N 64 117.779 117.779 116.932 0.847 17857 5155 1 10 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.841 0.281 17857 5156 1 10 . 1 1 64 64 ASN C C 64 176.299 176.299 174.592 1.707 17857 5157 1 10 . 1 1 64 64 ASN CA C 64 52.221 52.221 52.558 -0.337 17857 5158 1 10 . 1 1 64 64 ASN CB C 64 38.943 38.943 38.956 -0.013 17857 5159 1 10 . 1 1 64 64 ASN H H 64 7.719 7.719 7.667 0.052 17857 5160 1 10 . 1 1 65 65 GLY N N 65 106.860 106.860 107.637 -0.777 17857 5161 1 10 . 1 1 65 65 GLY C C 65 174.113 174.113 173.163 0.950 17857 5162 1 10 . 1 1 65 65 GLY CA C 65 47.965 47.965 46.254 1.711 17857 5163 1 10 . 1 1 65 65 GLY H H 65 7.705 7.705 7.630 0.075 17857 5164 1 10 . 1 1 66 66 ASP N N 66 115.761 115.761 118.194 -2.433 17857 5165 1 10 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.784 0.053 17857 5166 1 10 . 1 1 66 66 ASP C C 66 177.865 177.865 174.865 3.000 17857 5167 1 10 . 1 1 66 66 ASP CA C 66 54.199 54.199 53.683 0.516 17857 5168 1 10 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.001 -0.217 17857 5169 1 10 . 1 1 66 66 ASP H H 66 8.266 8.266 7.605 0.661 17857 5170 1 10 . 1 1 67 67 GLY N N 67 109.034 109.034 110.091 -1.057 17857 5171 1 10 . 1 1 67 67 GLY C C 67 172.364 172.364 171.919 0.445 17857 5172 1 10 . 1 1 67 67 GLY CA C 67 45.136 45.136 45.446 -0.310 17857 5173 1 10 . 1 1 67 67 GLY H H 67 8.237 8.237 7.903 0.334 17857 5174 1 10 . 1 1 68 68 GLU N N 68 117.964 117.964 118.201 -0.237 17857 5175 1 10 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.094 0.075 17857 5176 1 10 . 1 1 68 68 GLU C C 68 176.201 176.201 175.076 1.125 17857 5177 1 10 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.439 -0.111 17857 5178 1 10 . 1 1 68 68 GLU CB C 68 33.900 33.900 34.199 -0.299 17857 5179 1 10 . 1 1 68 68 GLU H H 68 8.415 8.415 8.288 0.127 17857 5180 1 10 . 1 1 69 69 VAL N N 69 116.232 116.232 114.922 1.310 17857 5181 1 10 . 1 1 69 69 VAL HA H 69 4.901 4.901 5.222 -0.321 17857 5182 1 10 . 1 1 69 69 VAL C C 69 174.378 174.378 174.566 -0.188 17857 5183 1 10 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.344 0.207 17857 5184 1 10 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.578 -0.480 17857 5185 1 10 . 1 1 69 69 VAL H H 69 9.134 9.134 8.872 0.262 17857 5186 1 10 . 1 1 70 70 ASP N N 70 121.337 121.337 120.730 0.607 17857 5187 1 10 . 1 1 70 70 ASP HA H 70 5.531 5.531 5.077 0.454 17857 5188 1 10 . 1 1 70 70 ASP C C 70 176.081 176.081 176.760 -0.679 17857 5189 1 10 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.696 -1.381 17857 5190 1 10 . 1 1 70 70 ASP CB C 70 42.873 42.873 42.059 0.814 17857 5191 1 10 . 1 1 70 70 ASP H H 70 8.233 8.233 8.212 0.021 17857 5192 1 10 . 1 1 71 71 PHE N N 71 119.131 119.131 119.407 -0.276 17857 5193 1 10 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.853 -0.404 17857 5194 1 10 . 1 1 71 71 PHE C C 71 176.693 176.693 177.156 -0.463 17857 5195 1 10 . 1 1 71 71 PHE CA C 71 61.576 61.576 62.308 -0.732 17857 5196 1 10 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.529 0.939 17857 5197 1 10 . 1 1 71 71 PHE H H 71 9.370 9.370 8.617 0.753 17857 5198 1 10 . 1 1 72 72 GLN N N 72 116.462 116.462 117.726 -1.264 17857 5199 1 10 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.773 -0.335 17857 5200 1 10 . 1 1 72 72 GLN C C 72 177.396 177.396 178.381 -0.985 17857 5201 1 10 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.191 1.576 17857 5202 1 10 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.453 0.330 17857 5203 1 10 . 1 1 72 72 GLN H H 72 8.096 8.096 8.397 -0.301 17857 5204 1 10 . 1 1 73 73 GLU N N 73 119.541 119.541 118.678 0.863 17857 5205 1 10 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.077 -0.090 17857 5206 1 10 . 1 1 73 73 GLU C C 73 178.861 178.861 178.900 -0.039 17857 5207 1 10 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.570 0.709 17857 5208 1 10 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.711 0.595 17857 5209 1 10 . 1 1 73 73 GLU H H 73 8.139 8.139 9.302 -1.163 17857 5210 1 10 . 1 1 74 74 TYR N N 74 122.065 122.065 121.218 0.847 17857 5211 1 10 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.311 0.011 17857 5212 1 10 . 1 1 74 74 TYR C C 74 175.562 175.562 176.918 -1.356 17857 5213 1 10 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.295 -0.968 17857 5214 1 10 . 1 1 74 74 TYR CB C 74 36.867 36.867 39.019 -2.152 17857 5215 1 10 . 1 1 74 74 TYR H H 74 8.157 8.157 7.658 0.499 17857 5216 1 10 . 1 1 75 75 VAL N N 75 119.872 119.872 117.531 2.341 17857 5217 1 10 . 1 1 75 75 VAL HA H 75 2.670 2.670 3.125 -0.455 17857 5218 1 10 . 1 1 75 75 VAL C C 75 177.425 177.425 177.350 0.075 17857 5219 1 10 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.942 1.059 17857 5220 1 10 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.939 -0.238 17857 5221 1 10 . 1 1 75 75 VAL H H 75 7.915 7.915 8.075 -0.160 17857 5222 1 10 . 1 1 76 76 VAL N N 76 119.169 119.169 119.540 -0.371 17857 5223 1 10 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.533 -0.183 17857 5224 1 10 . 1 1 76 76 VAL C C 76 178.933 178.933 177.108 1.825 17857 5225 1 10 . 1 1 76 76 VAL CA C 76 66.800 66.800 66.380 0.420 17857 5226 1 10 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.822 -0.222 17857 5227 1 10 . 1 1 76 76 VAL H H 76 7.545 7.545 7.560 -0.015 17857 5228 1 10 . 1 1 77 77 LEU N N 77 121.356 121.356 118.839 2.517 17857 5229 1 10 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.838 0.341 17857 5230 1 10 . 1 1 77 77 LEU C C 77 179.226 179.226 178.724 0.502 17857 5231 1 10 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.793 0.480 17857 5232 1 10 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.547 0.445 17857 5233 1 10 . 1 1 77 77 LEU H H 77 7.789 7.789 7.194 0.595 17857 5234 1 10 . 1 1 78 78 VAL N N 78 119.358 119.358 118.730 0.628 17857 5235 1 10 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.495 -0.042 17857 5236 1 10 . 1 1 78 78 VAL C C 78 180.653 180.653 177.660 2.993 17857 5237 1 10 . 1 1 78 78 VAL CA C 78 67.253 67.253 66.068 1.185 17857 5238 1 10 . 1 1 78 78 VAL CB C 78 31.392 31.392 30.878 0.514 17857 5239 1 10 . 1 1 78 78 VAL H H 78 8.350 8.350 7.102 1.248 17857 5240 1 10 . 1 1 79 79 ALA N N 79 125.018 125.018 120.659 4.359 17857 5241 1 10 . 1 1 79 79 ALA HA H 79 4.038 4.038 3.943 0.095 17857 5242 1 10 . 1 1 79 79 ALA C C 79 178.321 178.321 178.744 -0.423 17857 5243 1 10 . 1 1 79 79 ALA CA C 79 56.081 56.081 54.884 1.197 17857 5244 1 10 . 1 1 79 79 ALA CB C 79 18.289 18.289 17.876 0.413 17857 5245 1 10 . 1 1 79 79 ALA H H 79 9.009 9.009 7.924 1.085 17857 5246 1 10 . 1 1 80 80 ALA N N 80 121.933 121.933 122.308 -0.375 17857 5247 1 10 . 1 1 80 80 ALA HA H 80 4.003 4.003 4.126 -0.123 17857 5248 1 10 . 1 1 80 80 ALA C C 80 181.548 181.548 178.899 2.649 17857 5249 1 10 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.291 1.128 17857 5250 1 10 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.339 -0.670 17857 5251 1 10 . 1 1 80 80 ALA H H 80 8.311 8.311 7.211 1.100 17857 5252 1 10 . 1 1 81 81 LEU N N 81 117.563 117.563 118.046 -0.483 17857 5253 1 10 . 1 1 81 81 LEU HA H 81 4.033 4.033 3.902 0.131 17857 5254 1 10 . 1 1 81 81 LEU C C 81 178.536 178.536 178.333 0.203 17857 5255 1 10 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.367 0.296 17857 5256 1 10 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.583 0.370 17857 5257 1 10 . 1 1 81 81 LEU H H 81 8.056 8.056 7.637 0.419 17857 5258 1 10 . 1 1 82 82 THR N N 82 117.473 117.473 116.041 1.432 17857 5259 1 10 . 1 1 82 82 THR HA H 82 3.669 3.669 3.445 0.224 17857 5260 1 10 . 1 1 82 82 THR C C 82 176.658 176.658 176.115 0.543 17857 5261 1 10 . 1 1 82 82 THR CA C 82 68.836 68.836 66.674 2.163 17857 5262 1 10 . 1 1 82 82 THR CB C 82 67.515 67.515 68.275 -0.760 17857 5263 1 10 . 1 1 82 82 THR H H 82 8.299 8.299 7.627 0.672 17857 5264 1 10 . 1 1 83 83 VAL N N 83 121.111 121.111 121.017 0.094 17857 5265 1 10 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.595 -0.469 17857 5266 1 10 . 1 1 83 83 VAL C C 83 176.323 176.323 177.377 -1.054 17857 5267 1 10 . 1 1 83 83 VAL CA C 83 65.247 65.247 66.316 -1.069 17857 5268 1 10 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.404 -0.382 17857 5269 1 10 . 1 1 83 83 VAL H H 83 7.953 7.953 7.400 0.553 17857 5270 1 10 . 1 1 84 84 ALA N N 84 117.068 117.068 122.335 -5.267 17857 5271 1 10 . 1 1 84 84 ALA HA H 84 4.573 4.573 4.108 0.465 17857 5272 1 10 . 1 1 84 84 ALA C C 84 177.919 177.919 178.128 -0.209 17857 5273 1 10 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.975 -0.955 17857 5274 1 10 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.682 2.261 17857 5275 1 10 . 1 1 84 84 ALA H H 84 7.105 7.105 7.994 -0.889 17857 5276 1 10 . 1 1 85 85 CYS N N 85 112.195 112.195 113.374 -1.179 17857 5277 1 10 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.933 -0.393 17857 5278 1 10 . 1 1 85 85 CYS C C 85 173.282 173.282 176.123 -2.841 17857 5279 1 10 . 1 1 85 85 CYS CA C 85 60.342 60.342 58.449 1.893 17857 5280 1 10 . 1 1 85 85 CYS CB C 85 32.440 32.440 27.466 4.974 17857 5281 1 10 . 1 1 85 85 CYS H H 85 7.371 7.371 7.592 -0.221 17857 5282 1 10 . 1 1 86 86 ASN N N 86 118.815 118.815 120.547 -1.732 17857 5283 1 10 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.724 -0.227 17857 5284 1 10 . 1 1 86 86 ASN CA C 86 54.737 54.737 55.644 -0.907 17857 5285 1 10 . 1 1 86 86 ASN CB C 86 42.130 42.130 38.757 3.373 17857 5286 1 10 . 1 1 86 86 ASN H H 86 8.347 8.347 8.351 -0.004 17857 5287 1 10 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.634 -0.309 17857 5288 1 10 . 1 1 87 87 ASN C C 87 176.216 176.216 174.684 1.532 17857 5289 1 10 . 1 1 87 87 ASN CA C 87 56.570 56.570 54.107 2.463 17857 5290 1 10 . 1 1 87 87 ASN CB C 87 38.479 38.479 36.979 1.500 17857 5291 1 10 . 1 1 88 88 PHE N N 88 120.522 120.522 120.101 0.421 17857 5292 1 10 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.495 -0.398 17857 5293 1 10 . 1 1 88 88 PHE C C 88 176.803 176.803 177.184 -0.381 17857 5294 1 10 . 1 1 88 88 PHE CA C 88 61.023 61.023 60.988 0.035 17857 5295 1 10 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.472 0.210 17857 5296 1 10 . 1 1 88 88 PHE H H 88 8.642 8.642 8.700 -0.058 17857 5297 1 10 . 1 1 89 89 PHE N N 89 112.727 112.727 118.773 -6.046 17857 5298 1 10 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.429 -0.626 17857 5299 1 10 . 1 1 89 89 PHE C C 89 173.691 173.691 174.798 -1.107 17857 5300 1 10 . 1 1 89 89 PHE CA C 89 59.208 59.208 58.815 0.393 17857 5301 1 10 . 1 1 89 89 PHE CB C 89 39.029 39.029 39.141 -0.112 17857 5302 1 10 . 1 1 89 89 PHE H H 89 7.408 7.408 8.162 -0.754 17857 5303 1 10 . 1 1 90 90 TRP N N 90 118.731 118.731 121.100 -2.369 17857 5304 1 10 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.497 0.093 17857 5305 1 10 . 1 1 90 90 TRP C C 90 175.269 175.269 175.568 -0.299 17857 5306 1 10 . 1 1 90 90 TRP CA C 90 56.840 56.840 56.368 0.472 17857 5307 1 10 . 1 1 90 90 TRP CB C 90 31.400 31.400 27.767 3.634 17857 5308 1 10 . 1 1 90 90 TRP H H 90 7.359 7.359 7.665 -0.306 17857 5309 1 10 . 1 1 91 91 GLU N N 91 121.302 121.302 123.855 -2.553 17857 5310 1 10 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.401 -0.059 17857 5311 1 10 . 1 1 91 91 GLU C C 91 176.081 176.081 176.374 -0.293 17857 5312 1 10 . 1 1 91 91 GLU CA C 91 56.857 56.857 55.351 1.506 17857 5313 1 10 . 1 1 91 91 GLU CB C 91 30.548 30.548 30.302 0.246 17857 5314 1 10 . 1 1 91 91 GLU H H 91 7.766 7.766 8.086 -0.320 17857 5315 1 10 . 1 1 92 92 ASN N N 92 120.522 120.522 123.833 -3.311 17857 5316 1 10 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.555 0.212 17857 5317 1 10 . 1 1 92 92 ASN C C 92 174.283 174.283 175.580 -1.297 17857 5318 1 10 . 1 1 92 92 ASN CA C 92 53.407 53.407 54.816 -1.409 17857 5319 1 10 . 1 1 92 92 ASN CB C 92 39.276 39.276 38.117 1.159 17857 5320 1 10 . 1 1 92 92 ASN H H 92 8.462 8.462 8.959 -0.497 17857 5321 1 11 . 1 1 2 2 SER N N 2 118.698 118.698 114.474 4.224 17857 5322 1 11 . 1 1 2 2 SER HA H 2 4.691 4.691 4.687 0.004 17857 5323 1 11 . 1 1 2 2 SER C C 2 175.496 175.496 176.004 -0.508 17857 5324 1 11 . 1 1 2 2 SER CA C 2 57.481 57.481 57.835 -0.354 17857 5325 1 11 . 1 1 2 2 SER CB C 2 65.371 65.371 65.165 0.206 17857 5326 1 11 . 1 1 2 2 SER H H 2 9.211 9.211 8.350 0.861 17857 5327 1 11 . 1 1 3 3 GLU N N 3 122.860 122.860 122.376 0.484 17857 5328 1 11 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.124 -0.009 17857 5329 1 11 . 1 1 3 3 GLU C C 3 179.171 179.171 178.621 0.550 17857 5330 1 11 . 1 1 3 3 GLU CA C 3 60.757 60.757 58.891 1.866 17857 5331 1 11 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.538 -0.499 17857 5332 1 11 . 1 1 3 3 GLU H H 3 9.205 9.205 9.026 0.179 17857 5333 1 11 . 1 1 4 4 LEU N N 4 120.718 120.718 120.509 0.209 17857 5334 1 11 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.099 -0.063 17857 5335 1 11 . 1 1 4 4 LEU C C 4 178.360 178.360 178.128 0.232 17857 5336 1 11 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.358 0.553 17857 5337 1 11 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.712 0.650 17857 5338 1 11 . 1 1 4 4 LEU H H 4 8.854 8.854 7.995 0.859 17857 5339 1 11 . 1 1 5 5 GLU N N 5 118.542 118.542 118.884 -0.342 17857 5340 1 11 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.983 -0.728 17857 5341 1 11 . 1 1 5 5 GLU C C 5 179.204 179.204 178.810 0.394 17857 5342 1 11 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.810 0.007 17857 5343 1 11 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.559 -0.356 17857 5344 1 11 . 1 1 5 5 GLU H H 5 7.791 7.791 7.558 0.233 17857 5345 1 11 . 1 1 6 6 THR N N 6 115.783 115.783 114.681 1.102 17857 5346 1 11 . 1 1 6 6 THR HA H 6 4.017 4.017 4.085 -0.068 17857 5347 1 11 . 1 1 6 6 THR C C 6 176.807 176.807 176.053 0.754 17857 5348 1 11 . 1 1 6 6 THR CA C 6 66.668 66.668 65.201 1.467 17857 5349 1 11 . 1 1 6 6 THR CB C 6 68.763 68.763 68.843 -0.080 17857 5350 1 11 . 1 1 6 6 THR H H 6 8.371 8.371 7.536 0.835 17857 5351 1 11 . 1 1 7 7 ALA N N 7 125.707 125.707 123.992 1.715 17857 5352 1 11 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.023 0.249 17857 5353 1 11 . 1 1 7 7 ALA C C 7 179.856 179.856 179.516 0.340 17857 5354 1 11 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.277 0.425 17857 5355 1 11 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.222 0.008 17857 5356 1 11 . 1 1 7 7 ALA H H 7 8.267 8.267 8.128 0.139 17857 5357 1 11 . 1 1 8 8 MET N N 8 115.222 115.222 116.739 -1.517 17857 5358 1 11 . 1 1 8 8 MET HA H 8 4.858 4.858 4.304 0.554 17857 5359 1 11 . 1 1 8 8 MET C C 8 179.635 179.635 178.571 1.064 17857 5360 1 11 . 1 1 8 8 MET CA C 8 56.669 56.669 58.512 -1.843 17857 5361 1 11 . 1 1 8 8 MET CB C 8 29.136 29.136 32.247 -3.111 17857 5362 1 11 . 1 1 8 8 MET H H 8 8.106 8.106 7.694 0.412 17857 5363 1 11 . 1 1 9 9 GLU N N 9 120.456 120.456 118.840 1.616 17857 5364 1 11 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.142 -0.027 17857 5365 1 11 . 1 1 9 9 GLU C C 9 179.531 179.531 179.309 0.222 17857 5366 1 11 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.169 1.462 17857 5367 1 11 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.031 -0.054 17857 5368 1 11 . 1 1 9 9 GLU H H 9 8.658 8.658 7.766 0.892 17857 5369 1 11 . 1 1 10 10 THR N N 10 118.547 118.547 116.103 2.444 17857 5370 1 11 . 1 1 10 10 THR HA H 10 4.116 4.116 4.183 -0.067 17857 5371 1 11 . 1 1 10 10 THR C C 10 175.942 175.942 176.197 -0.255 17857 5372 1 11 . 1 1 10 10 THR CA C 10 67.521 67.521 66.092 1.429 17857 5373 1 11 . 1 1 10 10 THR CB C 10 67.933 67.933 68.678 -0.745 17857 5374 1 11 . 1 1 10 10 THR H H 10 8.417 8.417 8.147 0.270 17857 5375 1 11 . 1 1 11 11 LEU N N 11 121.715 121.715 122.588 -0.873 17857 5376 1 11 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.268 -0.201 17857 5377 1 11 . 1 1 11 11 LEU C C 11 181.784 181.784 178.993 2.791 17857 5378 1 11 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.250 2.193 17857 5379 1 11 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.178 -0.185 17857 5380 1 11 . 1 1 11 11 LEU H H 11 8.324 8.324 7.398 0.926 17857 5381 1 11 . 1 1 12 12 ILE N N 12 121.081 121.081 119.221 1.860 17857 5382 1 11 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.863 -0.299 17857 5383 1 11 . 1 1 12 12 ILE C C 12 176.221 176.221 177.043 -0.822 17857 5384 1 11 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.622 1.556 17857 5385 1 11 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.713 0.682 17857 5386 1 11 . 1 1 12 12 ILE H H 12 8.419 8.419 8.049 0.370 17857 5387 1 11 . 1 1 13 13 ASN N N 13 120.254 120.254 118.643 1.611 17857 5388 1 11 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.588 -0.218 17857 5389 1 11 . 1 1 13 13 ASN C C 13 179.124 179.124 176.958 2.166 17857 5390 1 11 . 1 1 13 13 ASN CA C 13 56.615 56.615 56.007 0.608 17857 5391 1 11 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.260 -0.105 17857 5392 1 11 . 1 1 13 13 ASN H H 13 8.593 8.593 7.911 0.682 17857 5393 1 11 . 1 1 14 14 VAL N N 14 121.599 121.599 118.168 3.431 17857 5394 1 11 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.694 0.162 17857 5395 1 11 . 1 1 14 14 VAL C C 14 177.155 177.155 177.126 0.029 17857 5396 1 11 . 1 1 14 14 VAL CA C 14 66.705 66.705 65.176 1.529 17857 5397 1 11 . 1 1 14 14 VAL CB C 14 31.884 31.884 32.175 -0.291 17857 5398 1 11 . 1 1 14 14 VAL H H 14 8.838 8.838 7.334 1.504 17857 5399 1 11 . 1 1 15 15 PHE N N 15 120.139 120.139 122.325 -2.186 17857 5400 1 11 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.851 -0.252 17857 5401 1 11 . 1 1 15 15 PHE C C 15 177.601 177.601 176.979 0.622 17857 5402 1 11 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.135 0.264 17857 5403 1 11 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.304 0.328 17857 5404 1 11 . 1 1 15 15 PHE H H 15 7.456 7.456 7.726 -0.270 17857 5405 1 11 . 1 1 16 16 HIS N N 16 118.175 118.175 117.117 1.058 17857 5406 1 11 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.392 0.751 17857 5407 1 11 . 1 1 16 16 HIS C C 16 177.972 177.972 177.812 0.160 17857 5408 1 11 . 1 1 16 16 HIS CA C 16 55.795 55.795 57.642 -1.847 17857 5409 1 11 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.460 1.867 17857 5410 1 11 . 1 1 16 16 HIS H H 16 9.137 9.137 8.436 0.701 17857 5411 1 11 . 1 1 17 17 ALA N N 17 121.734 121.734 123.302 -1.568 17857 5412 1 11 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.067 -0.247 17857 5413 1 11 . 1 1 17 17 ALA C C 17 178.713 178.713 178.314 0.399 17857 5414 1 11 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.533 0.084 17857 5415 1 11 . 1 1 17 17 ALA CB C 17 17.700 17.700 18.145 -0.445 17857 5416 1 11 . 1 1 17 17 ALA H H 17 8.133 8.133 7.116 1.017 17857 5417 1 11 . 1 1 18 18 HIS N N 18 113.408 113.408 115.234 -1.826 17857 5418 1 11 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.587 -0.267 17857 5419 1 11 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.713 0.124 17857 5420 1 11 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.333 2.315 17857 5421 1 11 . 1 1 18 18 HIS H H 18 7.286 7.286 7.662 -0.376 17857 5422 1 11 . 1 1 19 19 SER N N 19 120.877 120.877 115.026 5.851 17857 5423 1 11 . 1 1 19 19 SER HA H 19 4.124 4.124 4.080 0.044 17857 5424 1 11 . 1 1 19 19 SER C C 19 176.676 176.676 175.182 1.494 17857 5425 1 11 . 1 1 19 19 SER CA C 19 60.979 60.979 60.789 0.190 17857 5426 1 11 . 1 1 19 19 SER CB C 19 61.813 61.813 63.472 -1.659 17857 5427 1 11 . 1 1 19 19 SER H H 19 9.322 9.322 7.773 1.549 17857 5428 1 11 . 1 1 20 20 GLY N N 20 107.206 107.206 110.521 -3.315 17857 5429 1 11 . 1 1 20 20 GLY C C 20 174.913 174.913 173.568 1.345 17857 5430 1 11 . 1 1 20 20 GLY CA C 20 45.281 45.281 44.569 0.712 17857 5431 1 11 . 1 1 20 20 GLY H H 20 8.233 8.233 7.436 0.797 17857 5432 1 11 . 1 1 21 21 LYS N N 21 118.717 118.717 119.625 -0.908 17857 5433 1 11 . 1 1 21 21 LYS HA H 21 4.041 4.041 3.865 0.176 17857 5434 1 11 . 1 1 21 21 LYS C C 21 176.623 176.623 178.253 -1.630 17857 5435 1 11 . 1 1 21 21 LYS CA C 21 58.185 58.185 58.578 -0.393 17857 5436 1 11 . 1 1 21 21 LYS CB C 21 33.157 33.157 30.656 2.501 17857 5437 1 11 . 1 1 21 21 LYS H H 21 7.333 7.333 8.364 -1.031 17857 5438 1 11 . 1 1 22 22 GLU N N 22 116.257 116.257 122.986 -6.729 17857 5439 1 11 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.215 0.226 17857 5440 1 11 . 1 1 22 22 GLU C C 22 175.554 175.554 176.430 -0.876 17857 5441 1 11 . 1 1 22 22 GLU CA C 22 55.488 55.488 55.863 -0.375 17857 5442 1 11 . 1 1 22 22 GLU CB C 22 31.892 31.892 28.307 3.585 17857 5443 1 11 . 1 1 22 22 GLU H H 22 7.603 7.603 8.655 -1.052 17857 5444 1 11 . 1 1 23 23 GLY N N 23 108.614 108.614 109.563 -0.949 17857 5445 1 11 . 1 1 23 23 GLY C C 23 173.976 173.976 173.484 0.492 17857 5446 1 11 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.637 1.387 17857 5447 1 11 . 1 1 23 23 GLY H H 23 8.261 8.261 7.982 0.279 17857 5448 1 11 . 1 1 24 24 ASP N N 24 124.252 124.252 118.236 6.016 17857 5449 1 11 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.395 0.164 17857 5450 1 11 . 1 1 24 24 ASP C C 24 177.376 177.376 176.062 1.314 17857 5451 1 11 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.776 -0.952 17857 5452 1 11 . 1 1 24 24 ASP CB C 24 42.692 42.692 39.957 2.735 17857 5453 1 11 . 1 1 24 24 ASP H H 24 8.313 8.313 8.635 -0.322 17857 5454 1 11 . 1 1 25 25 LYS N N 25 125.006 125.006 114.429 10.577 17857 5455 1 11 . 1 1 25 25 LYS HA H 25 4.137 4.137 3.983 0.154 17857 5456 1 11 . 1 1 25 25 LYS C C 25 175.980 175.980 176.204 -0.224 17857 5457 1 11 . 1 1 25 25 LYS CA C 25 57.436 57.436 58.014 -0.577 17857 5458 1 11 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.149 0.196 17857 5459 1 11 . 1 1 25 25 LYS H H 25 8.327 8.327 8.007 0.320 17857 5460 1 11 . 1 1 26 26 TYR N N 26 117.300 117.300 119.300 -2.000 17857 5461 1 11 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.528 0.558 17857 5462 1 11 . 1 1 26 26 TYR C C 26 175.592 175.592 176.151 -0.559 17857 5463 1 11 . 1 1 26 26 TYR CA C 26 57.552 57.552 60.088 -2.536 17857 5464 1 11 . 1 1 26 26 TYR CB C 26 38.052 38.052 38.957 -0.905 17857 5465 1 11 . 1 1 26 26 TYR H H 26 8.490 8.490 8.132 0.358 17857 5466 1 11 . 1 1 27 27 LYS N N 27 117.820 117.820 116.222 1.598 17857 5467 1 11 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.815 0.688 17857 5468 1 11 . 1 1 27 27 LYS C C 27 174.259 174.259 175.001 -0.742 17857 5469 1 11 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.612 -0.518 17857 5470 1 11 . 1 1 27 27 LYS CB C 27 37.626 37.626 35.178 2.447 17857 5471 1 11 . 1 1 27 27 LYS H H 27 7.793 7.793 7.750 0.043 17857 5472 1 11 . 1 1 28 28 LEU N N 28 120.282 120.282 121.093 -0.811 17857 5473 1 11 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.725 0.023 17857 5474 1 11 . 1 1 28 28 LEU C C 28 176.038 176.038 174.981 1.057 17857 5475 1 11 . 1 1 28 28 LEU CA C 28 53.042 53.042 54.181 -1.139 17857 5476 1 11 . 1 1 28 28 LEU CB C 28 46.382 46.382 45.811 0.571 17857 5477 1 11 . 1 1 28 28 LEU H H 28 8.692 8.692 8.112 0.580 17857 5478 1 11 . 1 1 29 29 SER N N 29 119.669 119.669 119.126 0.543 17857 5479 1 11 . 1 1 29 29 SER HA H 29 5.121 5.121 4.554 0.567 17857 5480 1 11 . 1 1 29 29 SER C C 29 175.936 175.936 175.370 0.566 17857 5481 1 11 . 1 1 29 29 SER CA C 29 57.760 57.760 57.959 -0.199 17857 5482 1 11 . 1 1 29 29 SER CB C 29 64.689 64.689 64.370 0.319 17857 5483 1 11 . 1 1 29 29 SER H H 29 8.797 8.797 8.610 0.187 17857 5484 1 11 . 1 1 30 30 LYS N N 30 124.194 124.194 122.024 2.170 17857 5485 1 11 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.121 -0.260 17857 5486 1 11 . 1 1 30 30 LYS C C 30 178.523 178.523 178.630 -0.107 17857 5487 1 11 . 1 1 30 30 LYS CA C 30 61.591 61.591 59.328 2.263 17857 5488 1 11 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.341 -0.337 17857 5489 1 11 . 1 1 30 30 LYS H H 30 8.842 8.842 8.237 0.605 17857 5490 1 11 . 1 1 31 31 LYS N N 31 119.922 119.922 118.520 1.402 17857 5491 1 11 . 1 1 31 31 LYS HA H 31 4.157 4.157 3.986 0.171 17857 5492 1 11 . 1 1 31 31 LYS C C 31 179.293 179.293 178.817 0.476 17857 5493 1 11 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.122 0.304 17857 5494 1 11 . 1 1 31 31 LYS CB C 31 32.586 32.586 31.822 0.764 17857 5495 1 11 . 1 1 31 31 LYS H H 31 8.786 8.786 8.287 0.499 17857 5496 1 11 . 1 1 32 32 GLN N N 32 119.859 119.859 117.417 2.442 17857 5497 1 11 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.182 -0.065 17857 5498 1 11 . 1 1 32 32 GLN C C 32 179.272 179.272 177.749 1.523 17857 5499 1 11 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.097 0.081 17857 5500 1 11 . 1 1 32 32 GLN CB C 32 28.820 28.820 29.147 -0.327 17857 5501 1 11 . 1 1 32 32 GLN H H 32 7.769 7.769 7.766 0.003 17857 5502 1 11 . 1 1 33 33 LEU N N 33 122.146 122.146 121.250 0.896 17857 5503 1 11 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.816 0.229 17857 5504 1 11 . 1 1 33 33 LEU C C 33 177.408 177.408 178.560 -1.152 17857 5505 1 11 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.365 -1.030 17857 5506 1 11 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.569 -1.022 17857 5507 1 11 . 1 1 33 33 LEU H H 33 8.918 8.918 7.405 1.513 17857 5508 1 11 . 1 1 34 34 LYS N N 34 120.726 120.726 116.657 4.069 17857 5509 1 11 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.918 -0.292 17857 5510 1 11 . 1 1 34 34 LYS C C 34 177.675 177.675 178.921 -1.246 17857 5511 1 11 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.334 1.651 17857 5512 1 11 . 1 1 34 34 LYS CB C 34 32.000 32.000 31.818 0.182 17857 5513 1 11 . 1 1 34 34 LYS H H 34 8.423 8.423 7.751 0.672 17857 5514 1 11 . 1 1 35 35 GLU N N 35 116.999 116.999 120.211 -3.212 17857 5515 1 11 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.166 -0.096 17857 5516 1 11 . 1 1 35 35 GLU C C 35 179.003 179.003 178.694 0.309 17857 5517 1 11 . 1 1 35 35 GLU CA C 35 59.502 59.502 58.802 0.700 17857 5518 1 11 . 1 1 35 35 GLU CB C 35 29.395 29.395 30.022 -0.627 17857 5519 1 11 . 1 1 35 35 GLU H H 35 7.186 7.186 7.250 -0.064 17857 5520 1 11 . 1 1 36 36 LEU N N 36 122.908 122.908 119.469 3.439 17857 5521 1 11 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.155 -0.442 17857 5522 1 11 . 1 1 36 36 LEU C C 36 178.810 178.810 178.788 0.022 17857 5523 1 11 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.007 1.427 17857 5524 1 11 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.161 1.142 17857 5525 1 11 . 1 1 36 36 LEU H H 36 8.141 8.141 8.559 -0.418 17857 5526 1 11 . 1 1 37 37 LEU N N 37 119.746 119.746 119.849 -0.103 17857 5527 1 11 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.845 -0.156 17857 5528 1 11 . 1 1 37 37 LEU C C 37 178.128 178.128 179.376 -1.248 17857 5529 1 11 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.429 -0.013 17857 5530 1 11 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.483 0.040 17857 5531 1 11 . 1 1 37 37 LEU H H 37 8.772 8.772 8.786 -0.014 17857 5532 1 11 . 1 1 38 38 GLN N N 38 113.312 113.312 117.117 -3.805 17857 5533 1 11 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.288 -0.521 17857 5534 1 11 . 1 1 38 38 GLN C C 38 177.536 177.536 178.155 -0.619 17857 5535 1 11 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.401 0.385 17857 5536 1 11 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.870 0.144 17857 5537 1 11 . 1 1 38 38 GLN H H 38 8.082 8.082 7.923 0.159 17857 5538 1 11 . 1 1 39 39 THR N N 39 109.779 109.779 114.194 -4.415 17857 5539 1 11 . 1 1 39 39 THR HA H 39 4.312 4.312 4.095 0.217 17857 5540 1 11 . 1 1 39 39 THR C C 39 176.802 176.802 175.843 0.959 17857 5541 1 11 . 1 1 39 39 THR CA C 39 64.576 64.576 65.805 -1.229 17857 5542 1 11 . 1 1 39 39 THR CB C 39 69.847 69.847 69.011 0.836 17857 5543 1 11 . 1 1 39 39 THR H H 39 7.683 7.683 7.861 -0.178 17857 5544 1 11 . 1 1 40 40 GLU N N 40 118.440 118.440 119.077 -0.637 17857 5545 1 11 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.428 0.288 17857 5546 1 11 . 1 1 40 40 GLU C C 40 177.106 177.106 176.634 0.472 17857 5547 1 11 . 1 1 40 40 GLU CA C 40 56.922 56.922 56.727 0.195 17857 5548 1 11 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.729 -0.467 17857 5549 1 11 . 1 1 40 40 GLU H H 40 8.971 8.971 8.547 0.424 17857 5550 1 11 . 1 1 41 41 LEU N N 41 119.219 119.219 123.403 -4.184 17857 5551 1 11 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.547 0.581 17857 5552 1 11 . 1 1 41 41 LEU C C 41 177.669 177.669 175.074 2.595 17857 5553 1 11 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.367 -1.067 17857 5554 1 11 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.707 -0.499 17857 5555 1 11 . 1 1 41 41 LEU H H 41 7.733 7.733 8.008 -0.275 17857 5556 1 11 . 1 1 42 42 SER N N 42 112.897 112.897 120.666 -7.769 17857 5557 1 11 . 1 1 42 42 SER HA H 42 3.880 3.880 4.587 -0.707 17857 5558 1 11 . 1 1 42 42 SER C C 42 176.429 176.429 174.121 2.308 17857 5559 1 11 . 1 1 42 42 SER CA C 42 61.867 61.867 58.016 3.851 17857 5560 1 11 . 1 1 42 42 SER CB C 42 62.864 62.864 63.001 -0.137 17857 5561 1 11 . 1 1 42 42 SER H H 42 6.915 6.915 8.375 -1.460 17857 5562 1 11 . 1 1 43 43 GLY N N 43 114.357 114.357 110.338 4.019 17857 5563 1 11 . 1 1 43 43 GLY C C 43 178.051 178.051 174.710 3.341 17857 5564 1 11 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.493 1.351 17857 5565 1 11 . 1 1 43 43 GLY H H 43 9.244 9.244 8.332 0.912 17857 5566 1 11 . 1 1 44 44 PHE N N 44 124.297 124.297 119.737 4.560 17857 5567 1 11 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.403 0.190 17857 5568 1 11 . 1 1 44 44 PHE C C 44 178.168 178.168 176.934 1.234 17857 5569 1 11 . 1 1 44 44 PHE CA C 44 57.510 57.510 59.543 -2.033 17857 5570 1 11 . 1 1 44 44 PHE CB C 44 36.143 36.143 39.071 -2.928 17857 5571 1 11 . 1 1 44 44 PHE H H 44 8.273 8.273 7.927 0.346 17857 5572 1 11 . 1 1 45 45 LEU N N 45 116.097 116.097 114.802 1.295 17857 5573 1 11 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.213 -0.037 17857 5574 1 11 . 1 1 45 45 LEU C C 45 179.069 179.069 177.262 1.807 17857 5575 1 11 . 1 1 45 45 LEU CA C 45 57.580 57.580 55.859 1.721 17857 5576 1 11 . 1 1 45 45 LEU CB C 45 41.377 41.377 40.783 0.593 17857 5577 1 11 . 1 1 45 45 LEU H H 45 8.559 8.559 8.141 0.418 17857 5578 1 11 . 1 1 46 46 ASP N N 46 119.849 119.849 119.750 0.099 17857 5579 1 11 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.639 0.074 17857 5580 1 11 . 1 1 46 46 ASP C C 46 176.152 176.152 176.003 0.149 17857 5581 1 11 . 1 1 46 46 ASP CA C 46 55.845 55.845 54.401 1.444 17857 5582 1 11 . 1 1 46 46 ASP CB C 46 41.640 41.640 41.513 0.127 17857 5583 1 11 . 1 1 46 46 ASP H H 46 7.707 7.707 7.780 -0.073 17857 5584 1 11 . 1 1 47 47 ALA N N 47 124.027 124.027 121.581 2.446 17857 5585 1 11 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.640 -0.032 17857 5586 1 11 . 1 1 47 47 ALA C C 47 176.271 176.271 176.077 0.194 17857 5587 1 11 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.552 -1.831 17857 5588 1 11 . 1 1 47 47 ALA CB C 47 18.985 18.985 19.893 -0.908 17857 5589 1 11 . 1 1 47 47 ALA H H 47 7.710 7.710 7.863 -0.153 17857 5590 1 11 . 1 1 48 48 GLN N N 48 117.138 117.138 122.202 -5.064 17857 5591 1 11 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.277 -0.162 17857 5592 1 11 . 1 1 48 48 GLN C C 48 175.907 175.907 176.176 -0.269 17857 5593 1 11 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.709 1.365 17857 5594 1 11 . 1 1 48 48 GLN CB C 48 30.504 30.504 27.180 3.324 17857 5595 1 11 . 1 1 48 48 GLN H H 48 7.562 7.562 8.639 -1.077 17857 5596 1 11 . 1 1 49 49 LYS N N 49 121.265 121.265 121.950 -0.685 17857 5597 1 11 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.182 -0.033 17857 5598 1 11 . 1 1 49 49 LYS C C 49 176.157 176.157 177.111 -0.954 17857 5599 1 11 . 1 1 49 49 LYS CA C 49 56.337 56.337 57.472 -1.135 17857 5600 1 11 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.815 -1.584 17857 5601 1 11 . 1 1 49 49 LYS H H 49 7.974 7.974 7.887 0.087 17857 5602 1 11 . 1 1 50 50 ASP N N 50 119.019 119.019 119.670 -0.651 17857 5603 1 11 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.609 0.073 17857 5604 1 11 . 1 1 50 50 ASP C C 50 175.466 175.466 176.549 -1.083 17857 5605 1 11 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.034 -2.224 17857 5606 1 11 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.245 -1.290 17857 5607 1 11 . 1 1 50 50 ASP H H 50 7.523 7.523 7.827 -0.304 17857 5608 1 11 . 1 1 51 51 VAL N N 51 121.906 121.906 120.716 1.190 17857 5609 1 11 . 1 1 51 51 VAL HA H 51 3.861 3.861 3.980 -0.119 17857 5610 1 11 . 1 1 51 51 VAL C C 51 178.158 178.158 176.842 1.316 17857 5611 1 11 . 1 1 51 51 VAL CA C 51 64.804 64.804 64.304 0.500 17857 5612 1 11 . 1 1 51 51 VAL CB C 51 31.831 31.831 32.979 -1.148 17857 5613 1 11 . 1 1 51 51 VAL H H 51 7.618 7.618 8.354 -0.736 17857 5614 1 11 . 1 1 52 52 ASP N N 52 119.692 119.692 121.203 -1.511 17857 5615 1 11 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.270 0.089 17857 5616 1 11 . 1 1 52 52 ASP C C 52 178.427 178.427 177.551 0.876 17857 5617 1 11 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.148 0.211 17857 5618 1 11 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.356 1.565 17857 5619 1 11 . 1 1 52 52 ASP H H 52 8.081 8.081 8.592 -0.511 17857 5620 1 11 . 1 1 53 53 ALA N N 53 122.046 122.046 123.146 -1.100 17857 5621 1 11 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.094 -0.074 17857 5622 1 11 . 1 1 53 53 ALA C C 53 180.602 180.602 179.326 1.276 17857 5623 1 11 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.731 -0.001 17857 5624 1 11 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.209 0.658 17857 5625 1 11 . 1 1 53 53 ALA H H 53 7.538 7.538 8.229 -0.691 17857 5626 1 11 . 1 1 54 54 VAL N N 54 117.817 117.817 116.201 1.616 17857 5627 1 11 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.715 -0.365 17857 5628 1 11 . 1 1 54 54 VAL C C 54 177.718 177.718 177.453 0.265 17857 5629 1 11 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.166 1.501 17857 5630 1 11 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.200 0.515 17857 5631 1 11 . 1 1 54 54 VAL H H 54 7.286 7.286 7.908 -0.622 17857 5632 1 11 . 1 1 55 55 ASP N N 55 119.601 119.601 121.154 -1.553 17857 5633 1 11 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.407 -0.120 17857 5634 1 11 . 1 1 55 55 ASP C C 55 178.508 178.508 178.093 0.415 17857 5635 1 11 . 1 1 55 55 ASP CA C 55 57.618 57.618 57.647 -0.029 17857 5636 1 11 . 1 1 55 55 ASP CB C 55 41.227 41.227 41.063 0.164 17857 5637 1 11 . 1 1 55 55 ASP H H 55 8.456 8.456 8.468 -0.012 17857 5638 1 11 . 1 1 56 56 LYS N N 56 117.890 117.890 120.357 -2.467 17857 5639 1 11 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.954 -0.019 17857 5640 1 11 . 1 1 56 56 LYS C C 56 179.509 179.509 178.768 0.741 17857 5641 1 11 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.812 0.077 17857 5642 1 11 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.397 0.123 17857 5643 1 11 . 1 1 56 56 LYS H H 56 7.921 7.921 7.734 0.187 17857 5644 1 11 . 1 1 57 57 VAL N N 57 119.196 119.196 119.702 -0.506 17857 5645 1 11 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.669 0.053 17857 5646 1 11 . 1 1 57 57 VAL C C 57 177.928 177.928 177.413 0.515 17857 5647 1 11 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.654 0.564 17857 5648 1 11 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.917 0.414 17857 5649 1 11 . 1 1 57 57 VAL H H 57 7.292 7.292 7.363 -0.071 17857 5650 1 11 . 1 1 58 58 MET N N 58 115.902 115.902 118.119 -2.217 17857 5651 1 11 . 1 1 58 58 MET HA H 58 4.128 4.128 4.207 -0.079 17857 5652 1 11 . 1 1 58 58 MET C C 58 178.952 178.952 178.084 0.868 17857 5653 1 11 . 1 1 58 58 MET CA C 58 57.582 57.582 57.664 -0.082 17857 5654 1 11 . 1 1 58 58 MET CB C 58 31.511 31.511 31.915 -0.404 17857 5655 1 11 . 1 1 58 58 MET H H 58 8.313 8.313 7.499 0.814 17857 5656 1 11 . 1 1 59 59 LYS N N 59 118.845 118.845 120.873 -2.028 17857 5657 1 11 . 1 1 59 59 LYS HA H 59 4.072 4.072 4.164 -0.092 17857 5658 1 11 . 1 1 59 59 LYS C C 59 179.149 179.149 178.720 0.429 17857 5659 1 11 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.389 -0.229 17857 5660 1 11 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.247 0.298 17857 5661 1 11 . 1 1 59 59 LYS H H 59 8.563 8.563 8.434 0.129 17857 5662 1 11 . 1 1 60 60 GLU N N 60 119.868 119.868 118.952 0.916 17857 5663 1 11 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.039 -0.007 17857 5664 1 11 . 1 1 60 60 GLU C C 60 179.083 179.083 178.744 0.339 17857 5665 1 11 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.352 0.414 17857 5666 1 11 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.487 -0.730 17857 5667 1 11 . 1 1 60 60 GLU H H 60 7.467 7.467 7.974 -0.507 17857 5668 1 11 . 1 1 61 61 LEU N N 61 116.866 116.866 117.819 -0.953 17857 5669 1 11 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.014 -0.047 17857 5670 1 11 . 1 1 61 61 LEU C C 61 177.870 177.870 178.557 -0.687 17857 5671 1 11 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.344 -0.093 17857 5672 1 11 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.734 -0.965 17857 5673 1 11 . 1 1 61 61 LEU H H 61 7.597 7.597 7.527 0.070 17857 5674 1 11 . 1 1 62 62 ASP N N 62 115.773 115.773 118.576 -2.803 17857 5675 1 11 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.396 0.091 17857 5676 1 11 . 1 1 62 62 ASP C C 62 178.871 178.871 179.016 -0.145 17857 5677 1 11 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.754 -0.633 17857 5678 1 11 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.127 1.699 17857 5679 1 11 . 1 1 62 62 ASP H H 62 7.509 7.509 7.942 -0.433 17857 5680 1 11 . 1 1 63 63 GLU N N 63 119.120 119.120 118.535 0.585 17857 5681 1 11 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.143 -0.012 17857 5682 1 11 . 1 1 63 63 GLU C C 63 176.937 176.937 176.795 0.142 17857 5683 1 11 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.528 -0.475 17857 5684 1 11 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.562 -0.443 17857 5685 1 11 . 1 1 63 63 GLU H H 63 8.068 8.068 7.775 0.293 17857 5686 1 11 . 1 1 64 64 ASN N N 64 117.779 117.779 113.634 4.145 17857 5687 1 11 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.884 0.238 17857 5688 1 11 . 1 1 64 64 ASN C C 64 176.299 176.299 175.582 0.717 17857 5689 1 11 . 1 1 64 64 ASN CA C 64 52.221 52.221 52.973 -0.752 17857 5690 1 11 . 1 1 64 64 ASN CB C 64 38.943 38.943 39.011 -0.068 17857 5691 1 11 . 1 1 64 64 ASN H H 64 7.719 7.719 7.749 -0.030 17857 5692 1 11 . 1 1 65 65 GLY N N 65 106.860 106.860 108.720 -1.860 17857 5693 1 11 . 1 1 65 65 GLY C C 65 174.113 174.113 173.730 0.383 17857 5694 1 11 . 1 1 65 65 GLY CA C 65 47.965 47.965 46.780 1.185 17857 5695 1 11 . 1 1 65 65 GLY H H 65 7.705 7.705 8.559 -0.854 17857 5696 1 11 . 1 1 66 66 ASP N N 66 115.761 115.761 118.050 -2.289 17857 5697 1 11 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.642 0.195 17857 5698 1 11 . 1 1 66 66 ASP C C 66 177.865 177.865 176.751 1.114 17857 5699 1 11 . 1 1 66 66 ASP CA C 66 54.199 54.199 52.973 1.226 17857 5700 1 11 . 1 1 66 66 ASP CB C 66 40.784 40.784 39.512 1.272 17857 5701 1 11 . 1 1 66 66 ASP H H 66 8.266 8.266 7.976 0.290 17857 5702 1 11 . 1 1 67 67 GLY N N 67 109.034 109.034 108.898 0.136 17857 5703 1 11 . 1 1 67 67 GLY C C 67 172.364 172.364 173.393 -1.029 17857 5704 1 11 . 1 1 67 67 GLY CA C 67 45.136 45.136 44.532 0.604 17857 5705 1 11 . 1 1 67 67 GLY H H 67 8.237 8.237 7.384 0.853 17857 5706 1 11 . 1 1 68 68 GLU N N 68 117.964 117.964 120.492 -2.528 17857 5707 1 11 . 1 1 68 68 GLU HA H 68 5.169 5.169 4.921 0.248 17857 5708 1 11 . 1 1 68 68 GLU C C 68 176.201 176.201 175.980 0.221 17857 5709 1 11 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.547 -0.219 17857 5710 1 11 . 1 1 68 68 GLU CB C 68 33.900 33.900 32.563 1.337 17857 5711 1 11 . 1 1 68 68 GLU H H 68 8.415 8.415 8.238 0.177 17857 5712 1 11 . 1 1 69 69 VAL N N 69 116.232 116.232 115.827 0.405 17857 5713 1 11 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.592 0.309 17857 5714 1 11 . 1 1 69 69 VAL C C 69 174.378 174.378 174.720 -0.342 17857 5715 1 11 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.961 -0.410 17857 5716 1 11 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.394 -0.296 17857 5717 1 11 . 1 1 69 69 VAL H H 69 9.134 9.134 8.598 0.536 17857 5718 1 11 . 1 1 70 70 ASP N N 70 121.337 121.337 122.569 -1.232 17857 5719 1 11 . 1 1 70 70 ASP HA H 70 5.531 5.531 5.117 0.414 17857 5720 1 11 . 1 1 70 70 ASP C C 70 176.081 176.081 177.094 -1.013 17857 5721 1 11 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.674 -1.359 17857 5722 1 11 . 1 1 70 70 ASP CB C 70 42.873 42.873 42.753 0.120 17857 5723 1 11 . 1 1 70 70 ASP H H 70 8.233 8.233 8.205 0.028 17857 5724 1 11 . 1 1 71 71 PHE N N 71 119.131 119.131 120.973 -1.842 17857 5725 1 11 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.881 -0.432 17857 5726 1 11 . 1 1 71 71 PHE C C 71 176.693 176.693 177.057 -0.364 17857 5727 1 11 . 1 1 71 71 PHE CA C 71 61.576 61.576 62.277 -0.701 17857 5728 1 11 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.066 1.402 17857 5729 1 11 . 1 1 71 71 PHE H H 71 9.370 9.370 8.769 0.601 17857 5730 1 11 . 1 1 72 72 GLN N N 72 116.462 116.462 117.667 -1.205 17857 5731 1 11 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.704 -0.266 17857 5732 1 11 . 1 1 72 72 GLN C C 72 177.396 177.396 177.976 -0.580 17857 5733 1 11 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.576 1.191 17857 5734 1 11 . 1 1 72 72 GLN CB C 72 28.783 28.783 27.845 0.938 17857 5735 1 11 . 1 1 72 72 GLN H H 72 8.096 8.096 8.938 -0.842 17857 5736 1 11 . 1 1 73 73 GLU N N 73 119.541 119.541 117.055 2.486 17857 5737 1 11 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.113 -0.126 17857 5738 1 11 . 1 1 73 73 GLU C C 73 178.861 178.861 178.103 0.758 17857 5739 1 11 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.655 0.624 17857 5740 1 11 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.161 1.145 17857 5741 1 11 . 1 1 73 73 GLU H H 73 8.139 8.139 8.945 -0.806 17857 5742 1 11 . 1 1 74 74 TYR N N 74 122.065 122.065 120.683 1.382 17857 5743 1 11 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.296 0.026 17857 5744 1 11 . 1 1 74 74 TYR C C 74 175.562 175.562 176.636 -1.074 17857 5745 1 11 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.007 -0.680 17857 5746 1 11 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.979 -2.112 17857 5747 1 11 . 1 1 74 74 TYR H H 74 8.157 8.157 7.606 0.551 17857 5748 1 11 . 1 1 75 75 VAL N N 75 119.872 119.872 118.088 1.784 17857 5749 1 11 . 1 1 75 75 VAL HA H 75 2.670 2.670 2.792 -0.122 17857 5750 1 11 . 1 1 75 75 VAL C C 75 177.425 177.425 177.791 -0.366 17857 5751 1 11 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.314 1.687 17857 5752 1 11 . 1 1 75 75 VAL CB C 75 30.701 30.701 29.923 0.778 17857 5753 1 11 . 1 1 75 75 VAL H H 75 7.915 7.915 8.212 -0.297 17857 5754 1 11 . 1 1 76 76 VAL N N 76 119.169 119.169 119.073 0.096 17857 5755 1 11 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.531 -0.181 17857 5756 1 11 . 1 1 76 76 VAL C C 76 178.933 178.933 177.690 1.243 17857 5757 1 11 . 1 1 76 76 VAL CA C 76 66.800 66.800 66.062 0.738 17857 5758 1 11 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.802 -0.202 17857 5759 1 11 . 1 1 76 76 VAL H H 76 7.545 7.545 7.282 0.263 17857 5760 1 11 . 1 1 77 77 LEU N N 77 121.356 121.356 119.150 2.206 17857 5761 1 11 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.805 0.374 17857 5762 1 11 . 1 1 77 77 LEU C C 77 179.226 179.226 179.343 -0.117 17857 5763 1 11 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.802 0.471 17857 5764 1 11 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.548 0.444 17857 5765 1 11 . 1 1 77 77 LEU H H 77 7.789 7.789 7.573 0.216 17857 5766 1 11 . 1 1 78 78 VAL N N 78 119.358 119.358 118.418 0.940 17857 5767 1 11 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.584 -0.131 17857 5768 1 11 . 1 1 78 78 VAL C C 78 180.653 180.653 176.968 3.685 17857 5769 1 11 . 1 1 78 78 VAL CA C 78 67.253 67.253 65.964 1.289 17857 5770 1 11 . 1 1 78 78 VAL CB C 78 31.392 31.392 30.732 0.660 17857 5771 1 11 . 1 1 78 78 VAL H H 78 8.350 8.350 7.781 0.569 17857 5772 1 11 . 1 1 79 79 ALA N N 79 125.018 125.018 119.723 5.295 17857 5773 1 11 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.080 -0.042 17857 5774 1 11 . 1 1 79 79 ALA C C 79 178.321 178.321 178.434 -0.113 17857 5775 1 11 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.655 2.426 17857 5776 1 11 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.295 -0.006 17857 5777 1 11 . 1 1 79 79 ALA H H 79 9.009 9.009 7.140 1.869 17857 5778 1 11 . 1 1 80 80 ALA N N 80 121.933 121.933 123.589 -1.656 17857 5779 1 11 . 1 1 80 80 ALA HA H 80 4.003 4.003 4.035 -0.032 17857 5780 1 11 . 1 1 80 80 ALA C C 80 181.548 181.548 179.230 2.318 17857 5781 1 11 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.999 0.420 17857 5782 1 11 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.171 -0.502 17857 5783 1 11 . 1 1 80 80 ALA H H 80 8.311 8.311 7.923 0.388 17857 5784 1 11 . 1 1 81 81 LEU N N 81 117.563 117.563 114.964 2.599 17857 5785 1 11 . 1 1 81 81 LEU HA H 81 4.033 4.033 4.016 0.017 17857 5786 1 11 . 1 1 81 81 LEU C C 81 178.536 178.536 178.397 0.139 17857 5787 1 11 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.225 0.438 17857 5788 1 11 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.146 0.807 17857 5789 1 11 . 1 1 81 81 LEU H H 81 8.056 8.056 7.520 0.536 17857 5790 1 11 . 1 1 82 82 THR N N 82 117.473 117.473 117.058 0.415 17857 5791 1 11 . 1 1 82 82 THR HA H 82 3.669 3.669 3.373 0.296 17857 5792 1 11 . 1 1 82 82 THR C C 82 176.658 176.658 176.293 0.365 17857 5793 1 11 . 1 1 82 82 THR CA C 82 68.836 68.836 66.432 2.404 17857 5794 1 11 . 1 1 82 82 THR CB C 82 67.515 67.515 67.931 -0.416 17857 5795 1 11 . 1 1 82 82 THR H H 82 8.299 8.299 7.289 1.010 17857 5796 1 11 . 1 1 83 83 VAL N N 83 121.111 121.111 120.356 0.755 17857 5797 1 11 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.699 -0.573 17857 5798 1 11 . 1 1 83 83 VAL C C 83 176.323 176.323 177.647 -1.324 17857 5799 1 11 . 1 1 83 83 VAL CA C 83 65.247 65.247 65.997 -0.750 17857 5800 1 11 . 1 1 83 83 VAL CB C 83 31.022 31.022 30.825 0.197 17857 5801 1 11 . 1 1 83 83 VAL H H 83 7.953 7.953 7.715 0.238 17857 5802 1 11 . 1 1 84 84 ALA N N 84 117.068 117.068 122.208 -5.140 17857 5803 1 11 . 1 1 84 84 ALA HA H 84 4.573 4.573 4.091 0.482 17857 5804 1 11 . 1 1 84 84 ALA C C 84 177.919 177.919 178.802 -0.883 17857 5805 1 11 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.988 -0.968 17857 5806 1 11 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.397 2.546 17857 5807 1 11 . 1 1 84 84 ALA H H 84 7.105 7.105 7.420 -0.315 17857 5808 1 11 . 1 1 85 85 CYS N N 85 112.195 112.195 113.247 -1.052 17857 5809 1 11 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.559 -0.019 17857 5810 1 11 . 1 1 85 85 CYS C C 85 173.282 173.282 175.669 -2.387 17857 5811 1 11 . 1 1 85 85 CYS CA C 85 60.342 60.342 60.016 0.327 17857 5812 1 11 . 1 1 85 85 CYS CB C 85 32.440 32.440 28.593 3.847 17857 5813 1 11 . 1 1 85 85 CYS H H 85 7.371 7.371 7.534 -0.163 17857 5814 1 11 . 1 1 86 86 ASN N N 86 118.815 118.815 119.090 -0.275 17857 5815 1 11 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.540 -0.043 17857 5816 1 11 . 1 1 86 86 ASN CA C 86 54.737 54.737 55.783 -1.046 17857 5817 1 11 . 1 1 86 86 ASN CB C 86 42.130 42.130 38.906 3.224 17857 5818 1 11 . 1 1 86 86 ASN H H 86 8.347 8.347 8.338 0.009 17857 5819 1 11 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.660 -0.335 17857 5820 1 11 . 1 1 87 87 ASN C C 87 176.216 176.216 174.359 1.857 17857 5821 1 11 . 1 1 87 87 ASN CA C 87 56.570 56.570 54.389 2.181 17857 5822 1 11 . 1 1 87 87 ASN CB C 87 38.479 38.479 37.191 1.288 17857 5823 1 11 . 1 1 88 88 PHE N N 88 120.522 120.522 117.610 2.912 17857 5824 1 11 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.242 -0.144 17857 5825 1 11 . 1 1 88 88 PHE C C 88 176.803 176.803 175.931 0.872 17857 5826 1 11 . 1 1 88 88 PHE CA C 88 61.023 61.023 60.784 0.239 17857 5827 1 11 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.039 0.643 17857 5828 1 11 . 1 1 88 88 PHE H H 88 8.642 8.642 7.831 0.811 17857 5829 1 11 . 1 1 89 89 PHE N N 89 112.727 112.727 116.077 -3.350 17857 5830 1 11 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.351 -0.548 17857 5831 1 11 . 1 1 89 89 PHE C C 89 173.691 173.691 176.002 -2.311 17857 5832 1 11 . 1 1 89 89 PHE CA C 89 59.208 59.208 59.243 -0.035 17857 5833 1 11 . 1 1 89 89 PHE CB C 89 39.029 39.029 38.738 0.291 17857 5834 1 11 . 1 1 89 89 PHE H H 89 7.408 7.408 7.979 -0.571 17857 5835 1 11 . 1 1 90 90 TRP N N 90 118.731 118.731 119.639 -0.908 17857 5836 1 11 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.528 0.062 17857 5837 1 11 . 1 1 90 90 TRP C C 90 175.269 175.269 176.325 -1.056 17857 5838 1 11 . 1 1 90 90 TRP CA C 90 56.840 56.840 57.354 -0.514 17857 5839 1 11 . 1 1 90 90 TRP CB C 90 31.400 31.400 27.855 3.545 17857 5840 1 11 . 1 1 90 90 TRP H H 90 7.359 7.359 7.841 -0.482 17857 5841 1 11 . 1 1 91 91 GLU N N 91 121.302 121.302 122.764 -1.462 17857 5842 1 11 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.261 0.081 17857 5843 1 11 . 1 1 91 91 GLU C C 91 176.081 176.081 176.441 -0.360 17857 5844 1 11 . 1 1 91 91 GLU CA C 91 56.857 56.857 56.458 0.399 17857 5845 1 11 . 1 1 91 91 GLU CB C 91 30.548 30.548 30.125 0.423 17857 5846 1 11 . 1 1 91 91 GLU H H 91 7.766 7.766 8.514 -0.748 17857 5847 1 11 . 1 1 92 92 ASN N N 92 120.522 120.522 119.037 1.485 17857 5848 1 11 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.609 0.158 17857 5849 1 11 . 1 1 92 92 ASN C C 92 174.283 174.283 174.978 -0.695 17857 5850 1 11 . 1 1 92 92 ASN CA C 92 53.407 53.407 54.611 -1.204 17857 5851 1 11 . 1 1 92 92 ASN CB C 92 39.276 39.276 37.853 1.423 17857 5852 1 11 . 1 1 92 92 ASN H H 92 8.462 8.462 8.436 0.026 17857 5853 1 12 . 1 1 2 2 SER N N 2 118.698 118.698 116.293 2.405 17857 5854 1 12 . 1 1 2 2 SER HA H 2 4.691 4.691 4.540 0.151 17857 5855 1 12 . 1 1 2 2 SER C C 2 175.496 175.496 175.651 -0.155 17857 5856 1 12 . 1 1 2 2 SER CA C 2 57.481 57.481 57.270 0.210 17857 5857 1 12 . 1 1 2 2 SER CB C 2 65.371 65.371 64.572 0.799 17857 5858 1 12 . 1 1 2 2 SER H H 2 9.211 9.211 8.381 0.830 17857 5859 1 12 . 1 1 3 3 GLU N N 3 122.860 122.860 121.802 1.058 17857 5860 1 12 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.085 0.030 17857 5861 1 12 . 1 1 3 3 GLU C C 3 179.171 179.171 178.822 0.349 17857 5862 1 12 . 1 1 3 3 GLU CA C 3 60.757 60.757 58.892 1.865 17857 5863 1 12 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.646 -0.607 17857 5864 1 12 . 1 1 3 3 GLU H H 3 9.205 9.205 8.894 0.311 17857 5865 1 12 . 1 1 4 4 LEU N N 4 120.718 120.718 119.990 0.728 17857 5866 1 12 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.139 -0.103 17857 5867 1 12 . 1 1 4 4 LEU C C 4 178.360 178.360 178.031 0.329 17857 5868 1 12 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.394 0.517 17857 5869 1 12 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.677 0.685 17857 5870 1 12 . 1 1 4 4 LEU H H 4 8.854 8.854 8.091 0.763 17857 5871 1 12 . 1 1 5 5 GLU N N 5 118.542 118.542 118.154 0.388 17857 5872 1 12 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.977 -0.722 17857 5873 1 12 . 1 1 5 5 GLU C C 5 179.204 179.204 178.774 0.430 17857 5874 1 12 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.644 0.173 17857 5875 1 12 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.467 -0.264 17857 5876 1 12 . 1 1 5 5 GLU H H 5 7.791 7.791 7.650 0.141 17857 5877 1 12 . 1 1 6 6 THR N N 6 115.783 115.783 113.561 2.222 17857 5878 1 12 . 1 1 6 6 THR HA H 6 4.017 4.017 4.274 -0.257 17857 5879 1 12 . 1 1 6 6 THR C C 6 176.807 176.807 175.912 0.895 17857 5880 1 12 . 1 1 6 6 THR CA C 6 66.668 66.668 63.873 2.796 17857 5881 1 12 . 1 1 6 6 THR CB C 6 68.763 68.763 68.785 -0.022 17857 5882 1 12 . 1 1 6 6 THR H H 6 8.371 8.371 7.463 0.908 17857 5883 1 12 . 1 1 7 7 ALA N N 7 125.707 125.707 125.054 0.653 17857 5884 1 12 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.046 0.226 17857 5885 1 12 . 1 1 7 7 ALA C C 7 179.856 179.856 179.645 0.211 17857 5886 1 12 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.197 0.506 17857 5887 1 12 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.346 -0.116 17857 5888 1 12 . 1 1 7 7 ALA H H 7 8.267 8.267 7.814 0.453 17857 5889 1 12 . 1 1 8 8 MET N N 8 115.222 115.222 115.364 -0.142 17857 5890 1 12 . 1 1 8 8 MET HA H 8 4.858 4.858 4.414 0.444 17857 5891 1 12 . 1 1 8 8 MET C C 8 179.635 179.635 178.598 1.037 17857 5892 1 12 . 1 1 8 8 MET CA C 8 56.669 56.669 56.418 0.251 17857 5893 1 12 . 1 1 8 8 MET CB C 8 29.136 29.136 31.293 -2.157 17857 5894 1 12 . 1 1 8 8 MET H H 8 8.106 8.106 7.687 0.419 17857 5895 1 12 . 1 1 9 9 GLU N N 9 120.456 120.456 119.474 0.982 17857 5896 1 12 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.147 -0.032 17857 5897 1 12 . 1 1 9 9 GLU C C 9 179.531 179.531 179.259 0.272 17857 5898 1 12 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.301 1.330 17857 5899 1 12 . 1 1 9 9 GLU CB C 9 28.977 28.977 28.884 0.093 17857 5900 1 12 . 1 1 9 9 GLU H H 9 8.658 8.658 8.025 0.633 17857 5901 1 12 . 1 1 10 10 THR N N 10 118.547 118.547 117.446 1.101 17857 5902 1 12 . 1 1 10 10 THR HA H 10 4.116 4.116 4.235 -0.119 17857 5903 1 12 . 1 1 10 10 THR C C 10 175.942 175.942 176.197 -0.255 17857 5904 1 12 . 1 1 10 10 THR CA C 10 67.521 67.521 67.017 0.504 17857 5905 1 12 . 1 1 10 10 THR CB C 10 67.933 67.933 68.585 -0.652 17857 5906 1 12 . 1 1 10 10 THR H H 10 8.417 8.417 7.679 0.738 17857 5907 1 12 . 1 1 11 11 LEU N N 11 121.715 121.715 122.712 -0.997 17857 5908 1 12 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.301 -0.234 17857 5909 1 12 . 1 1 11 11 LEU C C 11 181.784 181.784 179.213 2.571 17857 5910 1 12 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.416 2.027 17857 5911 1 12 . 1 1 11 11 LEU CB C 11 41.993 41.993 41.937 0.056 17857 5912 1 12 . 1 1 11 11 LEU H H 11 8.324 8.324 7.557 0.767 17857 5913 1 12 . 1 1 12 12 ILE N N 12 121.081 121.081 119.310 1.771 17857 5914 1 12 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.726 -0.162 17857 5915 1 12 . 1 1 12 12 ILE C C 12 176.221 176.221 177.413 -1.192 17857 5916 1 12 . 1 1 12 12 ILE CA C 12 66.178 66.178 63.343 2.835 17857 5917 1 12 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.004 1.391 17857 5918 1 12 . 1 1 12 12 ILE H H 12 8.419 8.419 8.445 -0.026 17857 5919 1 12 . 1 1 13 13 ASN N N 13 120.254 120.254 118.877 1.377 17857 5920 1 12 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.478 -0.108 17857 5921 1 12 . 1 1 13 13 ASN C C 13 179.124 179.124 177.806 1.318 17857 5922 1 12 . 1 1 13 13 ASN CA C 13 56.615 56.615 56.500 0.115 17857 5923 1 12 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.795 -0.640 17857 5924 1 12 . 1 1 13 13 ASN H H 13 8.593 8.593 7.753 0.840 17857 5925 1 12 . 1 1 14 14 VAL N N 14 121.599 121.599 117.041 4.558 17857 5926 1 12 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.598 0.258 17857 5927 1 12 . 1 1 14 14 VAL C C 14 177.155 177.155 177.399 -0.244 17857 5928 1 12 . 1 1 14 14 VAL CA C 14 66.705 66.705 65.978 0.727 17857 5929 1 12 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.544 0.340 17857 5930 1 12 . 1 1 14 14 VAL H H 14 8.838 8.838 7.950 0.888 17857 5931 1 12 . 1 1 15 15 PHE N N 15 120.139 120.139 120.716 -0.577 17857 5932 1 12 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.960 -0.361 17857 5933 1 12 . 1 1 15 15 PHE C C 15 177.601 177.601 176.555 1.046 17857 5934 1 12 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.009 0.390 17857 5935 1 12 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.155 0.477 17857 5936 1 12 . 1 1 15 15 PHE H H 15 7.456 7.456 7.701 -0.245 17857 5937 1 12 . 1 1 16 16 HIS N N 16 118.175 118.175 118.424 -0.249 17857 5938 1 12 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.434 0.709 17857 5939 1 12 . 1 1 16 16 HIS C C 16 177.972 177.972 177.750 0.222 17857 5940 1 12 . 1 1 16 16 HIS CA C 16 55.795 55.795 58.472 -2.677 17857 5941 1 12 . 1 1 16 16 HIS CB C 16 30.327 30.327 29.460 0.866 17857 5942 1 12 . 1 1 16 16 HIS H H 16 9.137 9.137 7.801 1.336 17857 5943 1 12 . 1 1 17 17 ALA N N 17 121.734 121.734 121.694 0.040 17857 5944 1 12 . 1 1 17 17 ALA HA H 17 3.820 3.820 3.974 -0.154 17857 5945 1 12 . 1 1 17 17 ALA C C 17 178.713 178.713 178.688 0.025 17857 5946 1 12 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.648 -0.031 17857 5947 1 12 . 1 1 17 17 ALA CB C 17 17.700 17.700 18.063 -0.363 17857 5948 1 12 . 1 1 17 17 ALA H H 17 8.133 8.133 8.024 0.109 17857 5949 1 12 . 1 1 18 18 HIS N N 18 113.408 113.408 116.417 -3.009 17857 5950 1 12 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.635 -0.315 17857 5951 1 12 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.607 0.230 17857 5952 1 12 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.441 2.208 17857 5953 1 12 . 1 1 18 18 HIS H H 18 7.286 7.286 7.430 -0.144 17857 5954 1 12 . 1 1 19 19 SER N N 19 120.877 120.877 116.042 4.835 17857 5955 1 12 . 1 1 19 19 SER HA H 19 4.124 4.124 4.119 0.005 17857 5956 1 12 . 1 1 19 19 SER C C 19 176.676 176.676 176.785 -0.109 17857 5957 1 12 . 1 1 19 19 SER CA C 19 60.979 60.979 60.302 0.677 17857 5958 1 12 . 1 1 19 19 SER CB C 19 61.813 61.813 62.629 -0.816 17857 5959 1 12 . 1 1 19 19 SER H H 19 9.322 9.322 8.095 1.227 17857 5960 1 12 . 1 1 20 20 GLY N N 20 107.206 107.206 109.252 -2.046 17857 5961 1 12 . 1 1 20 20 GLY C C 20 174.913 174.913 174.456 0.457 17857 5962 1 12 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.960 -0.679 17857 5963 1 12 . 1 1 20 20 GLY H H 20 8.233 8.233 8.254 -0.021 17857 5964 1 12 . 1 1 21 21 LYS N N 21 118.717 118.717 120.461 -1.744 17857 5965 1 12 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.203 -0.162 17857 5966 1 12 . 1 1 21 21 LYS C C 21 176.623 176.623 176.099 0.524 17857 5967 1 12 . 1 1 21 21 LYS CA C 21 58.185 58.185 56.511 1.673 17857 5968 1 12 . 1 1 21 21 LYS CB C 21 33.157 33.157 32.657 0.500 17857 5969 1 12 . 1 1 21 21 LYS H H 21 7.333 7.333 7.363 -0.030 17857 5970 1 12 . 1 1 22 22 GLU N N 22 116.257 116.257 118.687 -2.430 17857 5971 1 12 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.101 0.340 17857 5972 1 12 . 1 1 22 22 GLU C C 22 175.554 175.554 177.497 -1.943 17857 5973 1 12 . 1 1 22 22 GLU CA C 22 55.488 55.488 57.070 -1.582 17857 5974 1 12 . 1 1 22 22 GLU CB C 22 31.892 31.892 29.690 2.202 17857 5975 1 12 . 1 1 22 22 GLU H H 22 7.603 7.603 8.353 -0.750 17857 5976 1 12 . 1 1 23 23 GLY N N 23 108.614 108.614 107.936 0.678 17857 5977 1 12 . 1 1 23 23 GLY C C 23 173.976 173.976 173.743 0.233 17857 5978 1 12 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.609 1.415 17857 5979 1 12 . 1 1 23 23 GLY H H 23 8.261 8.261 8.419 -0.158 17857 5980 1 12 . 1 1 24 24 ASP N N 24 124.252 124.252 123.668 0.584 17857 5981 1 12 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.641 -0.082 17857 5982 1 12 . 1 1 24 24 ASP C C 24 177.376 177.376 176.677 0.699 17857 5983 1 12 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.847 -1.023 17857 5984 1 12 . 1 1 24 24 ASP CB C 24 42.692 42.692 40.270 2.422 17857 5985 1 12 . 1 1 24 24 ASP H H 24 8.313 8.313 8.595 -0.282 17857 5986 1 12 . 1 1 25 25 LYS N N 25 125.006 125.006 122.237 2.769 17857 5987 1 12 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.210 -0.073 17857 5988 1 12 . 1 1 25 25 LYS C C 25 175.980 175.980 177.553 -1.573 17857 5989 1 12 . 1 1 25 25 LYS CA C 25 57.436 57.436 58.671 -1.235 17857 5990 1 12 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.585 -0.240 17857 5991 1 12 . 1 1 25 25 LYS H H 25 8.327 8.327 7.955 0.372 17857 5992 1 12 . 1 1 26 26 TYR N N 26 117.300 117.300 118.079 -0.779 17857 5993 1 12 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.463 0.623 17857 5994 1 12 . 1 1 26 26 TYR C C 26 175.592 175.592 176.189 -0.597 17857 5995 1 12 . 1 1 26 26 TYR CA C 26 57.552 57.552 60.350 -2.798 17857 5996 1 12 . 1 1 26 26 TYR CB C 26 38.052 38.052 38.346 -0.294 17857 5997 1 12 . 1 1 26 26 TYR H H 26 8.490 8.490 7.969 0.521 17857 5998 1 12 . 1 1 27 27 LYS N N 27 117.820 117.820 117.318 0.502 17857 5999 1 12 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.824 0.679 17857 6000 1 12 . 1 1 27 27 LYS C C 27 174.259 174.259 175.303 -1.044 17857 6001 1 12 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.406 -0.312 17857 6002 1 12 . 1 1 27 27 LYS CB C 27 37.626 37.626 34.861 2.765 17857 6003 1 12 . 1 1 27 27 LYS H H 27 7.793 7.793 7.478 0.315 17857 6004 1 12 . 1 1 28 28 LEU N N 28 120.282 120.282 124.952 -4.670 17857 6005 1 12 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.562 0.186 17857 6006 1 12 . 1 1 28 28 LEU C C 28 176.038 176.038 175.809 0.229 17857 6007 1 12 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.023 0.019 17857 6008 1 12 . 1 1 28 28 LEU CB C 28 46.382 46.382 44.670 1.712 17857 6009 1 12 . 1 1 28 28 LEU H H 28 8.692 8.692 8.555 0.137 17857 6010 1 12 . 1 1 29 29 SER N N 29 119.669 119.669 119.990 -0.321 17857 6011 1 12 . 1 1 29 29 SER HA H 29 5.121 5.121 4.828 0.293 17857 6012 1 12 . 1 1 29 29 SER C C 29 175.936 175.936 175.346 0.590 17857 6013 1 12 . 1 1 29 29 SER CA C 29 57.760 57.760 58.193 -0.433 17857 6014 1 12 . 1 1 29 29 SER CB C 29 64.689 64.689 64.555 0.134 17857 6015 1 12 . 1 1 29 29 SER H H 29 8.797 8.797 8.537 0.260 17857 6016 1 12 . 1 1 30 30 LYS N N 30 124.194 124.194 120.794 3.400 17857 6017 1 12 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.254 -0.393 17857 6018 1 12 . 1 1 30 30 LYS C C 30 178.523 178.523 178.526 -0.003 17857 6019 1 12 . 1 1 30 30 LYS CA C 30 61.591 61.591 58.396 3.195 17857 6020 1 12 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.572 -0.568 17857 6021 1 12 . 1 1 30 30 LYS H H 30 8.842 8.842 8.152 0.690 17857 6022 1 12 . 1 1 31 31 LYS N N 31 119.922 119.922 120.155 -0.233 17857 6023 1 12 . 1 1 31 31 LYS HA H 31 4.157 4.157 3.976 0.181 17857 6024 1 12 . 1 1 31 31 LYS C C 31 179.293 179.293 178.976 0.317 17857 6025 1 12 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.823 -0.397 17857 6026 1 12 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.160 0.426 17857 6027 1 12 . 1 1 31 31 LYS H H 31 8.786 8.786 8.265 0.521 17857 6028 1 12 . 1 1 32 32 GLN N N 32 119.859 119.859 117.125 2.734 17857 6029 1 12 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.048 0.069 17857 6030 1 12 . 1 1 32 32 GLN C C 32 179.272 179.272 178.183 1.089 17857 6031 1 12 . 1 1 32 32 GLN CA C 32 58.178 58.178 57.611 0.567 17857 6032 1 12 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.301 0.519 17857 6033 1 12 . 1 1 32 32 GLN H H 32 7.769 7.769 7.658 0.111 17857 6034 1 12 . 1 1 33 33 LEU N N 33 122.146 122.146 121.057 1.089 17857 6035 1 12 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.904 0.141 17857 6036 1 12 . 1 1 33 33 LEU C C 33 177.408 177.408 178.229 -0.821 17857 6037 1 12 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.409 -1.074 17857 6038 1 12 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.876 -1.329 17857 6039 1 12 . 1 1 33 33 LEU H H 33 8.918 8.918 7.722 1.196 17857 6040 1 12 . 1 1 34 34 LYS N N 34 120.726 120.726 117.295 3.431 17857 6041 1 12 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.994 -0.368 17857 6042 1 12 . 1 1 34 34 LYS C C 34 177.675 177.675 178.678 -1.003 17857 6043 1 12 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.068 1.917 17857 6044 1 12 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.170 -0.171 17857 6045 1 12 . 1 1 34 34 LYS H H 34 8.423 8.423 7.712 0.711 17857 6046 1 12 . 1 1 35 35 GLU N N 35 116.999 116.999 120.612 -3.613 17857 6047 1 12 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.116 -0.046 17857 6048 1 12 . 1 1 35 35 GLU C C 35 179.003 179.003 178.652 0.351 17857 6049 1 12 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.265 0.237 17857 6050 1 12 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.845 -0.450 17857 6051 1 12 . 1 1 35 35 GLU H H 35 7.186 7.186 7.801 -0.615 17857 6052 1 12 . 1 1 36 36 LEU N N 36 122.908 122.908 119.047 3.861 17857 6053 1 12 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.098 -0.385 17857 6054 1 12 . 1 1 36 36 LEU C C 36 178.810 178.810 178.811 -0.001 17857 6055 1 12 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.262 1.171 17857 6056 1 12 . 1 1 36 36 LEU CB C 36 42.303 42.303 40.910 1.393 17857 6057 1 12 . 1 1 36 36 LEU H H 36 8.141 8.141 8.479 -0.338 17857 6058 1 12 . 1 1 37 37 LEU N N 37 119.746 119.746 118.973 0.773 17857 6059 1 12 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.891 -0.202 17857 6060 1 12 . 1 1 37 37 LEU C C 37 178.128 178.128 179.177 -1.049 17857 6061 1 12 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.047 0.369 17857 6062 1 12 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.453 0.070 17857 6063 1 12 . 1 1 37 37 LEU H H 37 8.772 8.772 7.938 0.834 17857 6064 1 12 . 1 1 38 38 GLN N N 38 113.312 113.312 116.385 -3.073 17857 6065 1 12 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.183 -0.416 17857 6066 1 12 . 1 1 38 38 GLN C C 38 177.536 177.536 179.173 -1.637 17857 6067 1 12 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.268 0.518 17857 6068 1 12 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.300 0.714 17857 6069 1 12 . 1 1 38 38 GLN H H 38 8.082 8.082 7.755 0.327 17857 6070 1 12 . 1 1 39 39 THR N N 39 109.779 109.779 117.466 -7.687 17857 6071 1 12 . 1 1 39 39 THR HA H 39 4.312 4.312 3.997 0.315 17857 6072 1 12 . 1 1 39 39 THR C C 39 176.802 176.802 175.950 0.852 17857 6073 1 12 . 1 1 39 39 THR CA C 39 64.576 64.576 65.522 -0.946 17857 6074 1 12 . 1 1 39 39 THR CB C 39 69.847 69.847 68.788 1.059 17857 6075 1 12 . 1 1 39 39 THR H H 39 7.683 7.683 8.068 -0.385 17857 6076 1 12 . 1 1 40 40 GLU N N 40 118.440 118.440 118.397 0.043 17857 6077 1 12 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.350 0.366 17857 6078 1 12 . 1 1 40 40 GLU C C 40 177.106 177.106 175.964 1.142 17857 6079 1 12 . 1 1 40 40 GLU CA C 40 56.922 56.922 57.356 -0.434 17857 6080 1 12 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.198 0.064 17857 6081 1 12 . 1 1 40 40 GLU H H 40 8.971 8.971 8.611 0.360 17857 6082 1 12 . 1 1 41 41 LEU N N 41 119.219 119.219 118.020 1.199 17857 6083 1 12 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.625 0.503 17857 6084 1 12 . 1 1 41 41 LEU C C 41 177.669 177.669 176.984 0.685 17857 6085 1 12 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.708 -1.408 17857 6086 1 12 . 1 1 41 41 LEU CB C 41 42.208 42.208 43.513 -1.305 17857 6087 1 12 . 1 1 41 41 LEU H H 41 7.733 7.733 7.577 0.156 17857 6088 1 12 . 1 1 42 42 SER N N 42 112.897 112.897 114.479 -1.582 17857 6089 1 12 . 1 1 42 42 SER HA H 42 3.880 3.880 4.140 -0.260 17857 6090 1 12 . 1 1 42 42 SER C C 42 176.429 176.429 174.560 1.869 17857 6091 1 12 . 1 1 42 42 SER CA C 42 61.867 61.867 59.096 2.771 17857 6092 1 12 . 1 1 42 42 SER CB C 42 62.864 62.864 62.597 0.267 17857 6093 1 12 . 1 1 42 42 SER H H 42 6.915 6.915 8.577 -1.662 17857 6094 1 12 . 1 1 43 43 GLY N N 43 114.357 114.357 107.254 7.103 17857 6095 1 12 . 1 1 43 43 GLY C C 43 178.051 178.051 175.382 2.669 17857 6096 1 12 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.547 1.297 17857 6097 1 12 . 1 1 43 43 GLY H H 43 9.244 9.244 8.325 0.919 17857 6098 1 12 . 1 1 44 44 PHE N N 44 124.297 124.297 122.368 1.929 17857 6099 1 12 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.281 0.312 17857 6100 1 12 . 1 1 44 44 PHE C C 44 178.168 178.168 177.215 0.953 17857 6101 1 12 . 1 1 44 44 PHE CA C 44 57.510 57.510 60.202 -2.692 17857 6102 1 12 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.303 -2.160 17857 6103 1 12 . 1 1 44 44 PHE H H 44 8.273 8.273 8.275 -0.002 17857 6104 1 12 . 1 1 45 45 LEU N N 45 116.097 116.097 113.300 2.797 17857 6105 1 12 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.350 -0.174 17857 6106 1 12 . 1 1 45 45 LEU C C 45 179.069 179.069 177.211 1.858 17857 6107 1 12 . 1 1 45 45 LEU CA C 45 57.580 57.580 55.778 1.802 17857 6108 1 12 . 1 1 45 45 LEU CB C 45 41.377 41.377 41.129 0.248 17857 6109 1 12 . 1 1 45 45 LEU H H 45 8.559 8.559 7.736 0.823 17857 6110 1 12 . 1 1 46 46 ASP N N 46 119.849 119.849 119.863 -0.014 17857 6111 1 12 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.577 0.136 17857 6112 1 12 . 1 1 46 46 ASP C C 46 176.152 176.152 175.493 0.659 17857 6113 1 12 . 1 1 46 46 ASP CA C 46 55.845 55.845 54.082 1.763 17857 6114 1 12 . 1 1 46 46 ASP CB C 46 41.640 41.640 41.305 0.335 17857 6115 1 12 . 1 1 46 46 ASP H H 46 7.707 7.707 8.095 -0.388 17857 6116 1 12 . 1 1 47 47 ALA N N 47 124.027 124.027 121.853 2.174 17857 6117 1 12 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.608 0.000 17857 6118 1 12 . 1 1 47 47 ALA C C 47 176.271 176.271 175.547 0.724 17857 6119 1 12 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.153 -1.432 17857 6120 1 12 . 1 1 47 47 ALA CB C 47 18.985 18.985 20.245 -1.260 17857 6121 1 12 . 1 1 47 47 ALA H H 47 7.710 7.710 7.241 0.469 17857 6122 1 12 . 1 1 48 48 GLN N N 48 117.138 117.138 120.240 -3.102 17857 6123 1 12 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.302 -0.187 17857 6124 1 12 . 1 1 48 48 GLN C C 48 175.907 175.907 175.916 -0.009 17857 6125 1 12 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.737 1.337 17857 6126 1 12 . 1 1 48 48 GLN CB C 48 30.504 30.504 29.215 1.289 17857 6127 1 12 . 1 1 48 48 GLN H H 48 7.562 7.562 8.527 -0.965 17857 6128 1 12 . 1 1 49 49 LYS N N 49 121.265 121.265 125.396 -4.131 17857 6129 1 12 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.328 -0.179 17857 6130 1 12 . 1 1 49 49 LYS C C 49 176.157 176.157 176.883 -0.726 17857 6131 1 12 . 1 1 49 49 LYS CA C 49 56.337 56.337 56.959 -0.622 17857 6132 1 12 . 1 1 49 49 LYS CB C 49 31.231 31.231 33.117 -1.886 17857 6133 1 12 . 1 1 49 49 LYS H H 49 7.974 7.974 8.734 -0.760 17857 6134 1 12 . 1 1 50 50 ASP N N 50 119.019 119.019 120.545 -1.526 17857 6135 1 12 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.483 0.199 17857 6136 1 12 . 1 1 50 50 ASP C C 50 175.466 175.466 176.509 -1.043 17857 6137 1 12 . 1 1 50 50 ASP CA C 50 51.810 51.810 55.013 -3.203 17857 6138 1 12 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.394 -1.439 17857 6139 1 12 . 1 1 50 50 ASP H H 50 7.523 7.523 7.788 -0.265 17857 6140 1 12 . 1 1 51 51 VAL N N 51 121.906 121.906 119.987 1.919 17857 6141 1 12 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.135 -0.274 17857 6142 1 12 . 1 1 51 51 VAL C C 51 178.158 178.158 177.228 0.930 17857 6143 1 12 . 1 1 51 51 VAL CA C 51 64.804 64.804 64.199 0.605 17857 6144 1 12 . 1 1 51 51 VAL CB C 51 31.831 31.831 32.355 -0.524 17857 6145 1 12 . 1 1 51 51 VAL H H 51 7.618 7.618 8.221 -0.603 17857 6146 1 12 . 1 1 52 52 ASP N N 52 119.692 119.692 121.411 -1.719 17857 6147 1 12 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.317 0.042 17857 6148 1 12 . 1 1 52 52 ASP C C 52 178.427 178.427 178.158 0.269 17857 6149 1 12 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.229 0.130 17857 6150 1 12 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.166 1.755 17857 6151 1 12 . 1 1 52 52 ASP H H 52 8.081 8.081 8.583 -0.502 17857 6152 1 12 . 1 1 53 53 ALA N N 53 122.046 122.046 121.264 0.782 17857 6153 1 12 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.108 -0.088 17857 6154 1 12 . 1 1 53 53 ALA C C 53 180.602 180.602 179.609 0.993 17857 6155 1 12 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.640 0.090 17857 6156 1 12 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.316 0.551 17857 6157 1 12 . 1 1 53 53 ALA H H 53 7.538 7.538 8.066 -0.528 17857 6158 1 12 . 1 1 54 54 VAL N N 54 117.817 117.817 116.604 1.213 17857 6159 1 12 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.670 -0.320 17857 6160 1 12 . 1 1 54 54 VAL C C 54 177.718 177.718 177.626 0.092 17857 6161 1 12 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.885 0.783 17857 6162 1 12 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.686 0.029 17857 6163 1 12 . 1 1 54 54 VAL H H 54 7.286 7.286 7.909 -0.623 17857 6164 1 12 . 1 1 55 55 ASP N N 55 119.601 119.601 119.513 0.088 17857 6165 1 12 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.506 -0.219 17857 6166 1 12 . 1 1 55 55 ASP C C 55 178.508 178.508 178.068 0.440 17857 6167 1 12 . 1 1 55 55 ASP CA C 55 57.618 57.618 56.114 1.504 17857 6168 1 12 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.910 0.317 17857 6169 1 12 . 1 1 55 55 ASP H H 55 8.456 8.456 8.394 0.062 17857 6170 1 12 . 1 1 56 56 LYS N N 56 117.890 117.890 121.179 -3.289 17857 6171 1 12 . 1 1 56 56 LYS HA H 56 3.935 3.935 4.019 -0.084 17857 6172 1 12 . 1 1 56 56 LYS C C 56 179.509 179.509 178.567 0.942 17857 6173 1 12 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.400 0.489 17857 6174 1 12 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.196 0.324 17857 6175 1 12 . 1 1 56 56 LYS H H 56 7.921 7.921 7.480 0.441 17857 6176 1 12 . 1 1 57 57 VAL N N 57 119.196 119.196 118.214 0.982 17857 6177 1 12 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.691 0.031 17857 6178 1 12 . 1 1 57 57 VAL C C 57 177.928 177.928 177.435 0.493 17857 6179 1 12 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.581 0.637 17857 6180 1 12 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.752 0.579 17857 6181 1 12 . 1 1 57 57 VAL H H 57 7.292 7.292 7.356 -0.064 17857 6182 1 12 . 1 1 58 58 MET N N 58 115.902 115.902 118.774 -2.872 17857 6183 1 12 . 1 1 58 58 MET HA H 58 4.128 4.128 4.158 -0.030 17857 6184 1 12 . 1 1 58 58 MET C C 58 178.952 178.952 177.544 1.408 17857 6185 1 12 . 1 1 58 58 MET CA C 58 57.582 57.582 57.818 -0.236 17857 6186 1 12 . 1 1 58 58 MET CB C 58 31.511 31.511 32.135 -0.624 17857 6187 1 12 . 1 1 58 58 MET H H 58 8.313 8.313 7.534 0.779 17857 6188 1 12 . 1 1 59 59 LYS N N 59 118.845 118.845 120.282 -1.437 17857 6189 1 12 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.977 0.095 17857 6190 1 12 . 1 1 59 59 LYS C C 59 179.149 179.149 178.474 0.675 17857 6191 1 12 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.109 0.050 17857 6192 1 12 . 1 1 59 59 LYS CB C 59 32.545 32.545 31.540 1.005 17857 6193 1 12 . 1 1 59 59 LYS H H 59 8.563 8.563 8.197 0.366 17857 6194 1 12 . 1 1 60 60 GLU N N 60 119.868 119.868 119.270 0.598 17857 6195 1 12 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.033 -0.001 17857 6196 1 12 . 1 1 60 60 GLU C C 60 179.083 179.083 178.859 0.224 17857 6197 1 12 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.478 0.287 17857 6198 1 12 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.432 -0.675 17857 6199 1 12 . 1 1 60 60 GLU H H 60 7.467 7.467 7.668 -0.201 17857 6200 1 12 . 1 1 61 61 LEU N N 61 116.866 116.866 117.107 -0.241 17857 6201 1 12 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.052 -0.085 17857 6202 1 12 . 1 1 61 61 LEU C C 61 177.870 177.870 179.352 -1.482 17857 6203 1 12 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.327 -0.076 17857 6204 1 12 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.669 -0.899 17857 6205 1 12 . 1 1 61 61 LEU H H 61 7.597 7.597 7.262 0.335 17857 6206 1 12 . 1 1 62 62 ASP N N 62 115.773 115.773 118.680 -2.907 17857 6207 1 12 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.410 0.077 17857 6208 1 12 . 1 1 62 62 ASP C C 62 178.871 178.871 178.091 0.780 17857 6209 1 12 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.398 -0.277 17857 6210 1 12 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.039 1.787 17857 6211 1 12 . 1 1 62 62 ASP H H 62 7.509 7.509 7.977 -0.468 17857 6212 1 12 . 1 1 63 63 GLU N N 63 119.120 119.120 118.403 0.717 17857 6213 1 12 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.005 0.126 17857 6214 1 12 . 1 1 63 63 GLU C C 63 176.937 176.937 177.013 -0.076 17857 6215 1 12 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.899 -0.846 17857 6216 1 12 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.044 0.075 17857 6217 1 12 . 1 1 63 63 GLU H H 63 8.068 8.068 8.319 -0.251 17857 6218 1 12 . 1 1 64 64 ASN N N 64 117.779 117.779 112.976 4.803 17857 6219 1 12 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.752 0.370 17857 6220 1 12 . 1 1 64 64 ASN C C 64 176.299 176.299 175.449 0.850 17857 6221 1 12 . 1 1 64 64 ASN CA C 64 52.221 52.221 53.395 -1.173 17857 6222 1 12 . 1 1 64 64 ASN CB C 64 38.943 38.943 39.676 -0.733 17857 6223 1 12 . 1 1 64 64 ASN H H 64 7.719 7.719 7.618 0.101 17857 6224 1 12 . 1 1 65 65 GLY N N 65 106.860 106.860 109.272 -2.412 17857 6225 1 12 . 1 1 65 65 GLY C C 65 174.113 174.113 173.908 0.205 17857 6226 1 12 . 1 1 65 65 GLY CA C 65 47.965 47.965 46.012 1.953 17857 6227 1 12 . 1 1 65 65 GLY H H 65 7.705 7.705 8.743 -1.038 17857 6228 1 12 . 1 1 66 66 ASP N N 66 115.761 115.761 117.818 -2.057 17857 6229 1 12 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.817 0.020 17857 6230 1 12 . 1 1 66 66 ASP C C 66 177.865 177.865 176.606 1.259 17857 6231 1 12 . 1 1 66 66 ASP CA C 66 54.199 54.199 52.794 1.405 17857 6232 1 12 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.736 -0.952 17857 6233 1 12 . 1 1 66 66 ASP H H 66 8.266 8.266 8.065 0.201 17857 6234 1 12 . 1 1 67 67 GLY N N 67 109.034 109.034 108.503 0.531 17857 6235 1 12 . 1 1 67 67 GLY C C 67 172.364 172.364 173.100 -0.736 17857 6236 1 12 . 1 1 67 67 GLY CA C 67 45.136 45.136 44.198 0.938 17857 6237 1 12 . 1 1 67 67 GLY H H 67 8.237 8.237 8.363 -0.126 17857 6238 1 12 . 1 1 68 68 GLU N N 68 117.964 117.964 117.484 0.480 17857 6239 1 12 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.111 0.058 17857 6240 1 12 . 1 1 68 68 GLU C C 68 176.201 176.201 175.072 1.129 17857 6241 1 12 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.312 0.016 17857 6242 1 12 . 1 1 68 68 GLU CB C 68 33.900 33.900 33.999 -0.099 17857 6243 1 12 . 1 1 68 68 GLU H H 68 8.415 8.415 8.286 0.129 17857 6244 1 12 . 1 1 69 69 VAL N N 69 116.232 116.232 120.156 -3.924 17857 6245 1 12 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.474 0.427 17857 6246 1 12 . 1 1 69 69 VAL C C 69 174.378 174.378 174.824 -0.446 17857 6247 1 12 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.982 -0.431 17857 6248 1 12 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.671 -0.573 17857 6249 1 12 . 1 1 69 69 VAL H H 69 9.134 9.134 8.970 0.164 17857 6250 1 12 . 1 1 70 70 ASP N N 70 121.337 121.337 125.153 -3.816 17857 6251 1 12 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.901 0.630 17857 6252 1 12 . 1 1 70 70 ASP C C 70 176.081 176.081 176.566 -0.485 17857 6253 1 12 . 1 1 70 70 ASP CA C 70 51.315 51.315 53.877 -2.562 17857 6254 1 12 . 1 1 70 70 ASP CB C 70 42.873 42.873 41.841 1.032 17857 6255 1 12 . 1 1 70 70 ASP H H 70 8.233 8.233 8.614 -0.381 17857 6256 1 12 . 1 1 71 71 PHE N N 71 119.131 119.131 120.698 -1.567 17857 6257 1 12 . 1 1 71 71 PHE HA H 71 3.449 3.449 4.319 -0.870 17857 6258 1 12 . 1 1 71 71 PHE C C 71 176.693 176.693 176.959 -0.266 17857 6259 1 12 . 1 1 71 71 PHE CA C 71 61.576 61.576 61.680 -0.104 17857 6260 1 12 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.284 1.184 17857 6261 1 12 . 1 1 71 71 PHE H H 71 9.370 9.370 8.620 0.750 17857 6262 1 12 . 1 1 72 72 GLN N N 72 116.462 116.462 118.190 -1.728 17857 6263 1 12 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.795 -0.357 17857 6264 1 12 . 1 1 72 72 GLN C C 72 177.396 177.396 177.966 -0.570 17857 6265 1 12 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.478 1.289 17857 6266 1 12 . 1 1 72 72 GLN CB C 72 28.783 28.783 27.913 0.870 17857 6267 1 12 . 1 1 72 72 GLN H H 72 8.096 8.096 8.665 -0.569 17857 6268 1 12 . 1 1 73 73 GLU N N 73 119.541 119.541 117.976 1.565 17857 6269 1 12 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.149 -0.162 17857 6270 1 12 . 1 1 73 73 GLU C C 73 178.861 178.861 178.233 0.628 17857 6271 1 12 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.984 0.295 17857 6272 1 12 . 1 1 73 73 GLU CB C 73 30.306 30.306 28.639 1.667 17857 6273 1 12 . 1 1 73 73 GLU H H 73 8.139 8.139 8.788 -0.649 17857 6274 1 12 . 1 1 74 74 TYR N N 74 122.065 122.065 120.707 1.358 17857 6275 1 12 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.230 0.092 17857 6276 1 12 . 1 1 74 74 TYR C C 74 175.562 175.562 177.031 -1.469 17857 6277 1 12 . 1 1 74 74 TYR CA C 74 60.327 60.327 60.790 -0.463 17857 6278 1 12 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.373 -1.506 17857 6279 1 12 . 1 1 74 74 TYR H H 74 8.157 8.157 7.353 0.804 17857 6280 1 12 . 1 1 75 75 VAL N N 75 119.872 119.872 116.648 3.224 17857 6281 1 12 . 1 1 75 75 VAL HA H 75 2.670 2.670 2.942 -0.272 17857 6282 1 12 . 1 1 75 75 VAL C C 75 177.425 177.425 177.591 -0.166 17857 6283 1 12 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.620 1.381 17857 6284 1 12 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.391 0.310 17857 6285 1 12 . 1 1 75 75 VAL H H 75 7.915 7.915 7.911 0.004 17857 6286 1 12 . 1 1 76 76 VAL N N 76 119.169 119.169 119.284 -0.115 17857 6287 1 12 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.544 -0.194 17857 6288 1 12 . 1 1 76 76 VAL C C 76 178.933 178.933 177.811 1.122 17857 6289 1 12 . 1 1 76 76 VAL CA C 76 66.800 66.800 66.232 0.568 17857 6290 1 12 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.283 0.317 17857 6291 1 12 . 1 1 76 76 VAL H H 76 7.545 7.545 7.177 0.368 17857 6292 1 12 . 1 1 77 77 LEU N N 77 121.356 121.356 119.567 1.789 17857 6293 1 12 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.878 0.301 17857 6294 1 12 . 1 1 77 77 LEU C C 77 179.226 179.226 178.598 0.628 17857 6295 1 12 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.959 0.314 17857 6296 1 12 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.763 0.229 17857 6297 1 12 . 1 1 77 77 LEU H H 77 7.789 7.789 7.368 0.421 17857 6298 1 12 . 1 1 78 78 VAL N N 78 119.358 119.358 118.381 0.977 17857 6299 1 12 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.436 0.017 17857 6300 1 12 . 1 1 78 78 VAL C C 78 180.653 180.653 177.095 3.558 17857 6301 1 12 . 1 1 78 78 VAL CA C 78 67.253 67.253 66.320 0.933 17857 6302 1 12 . 1 1 78 78 VAL CB C 78 31.392 31.392 31.317 0.075 17857 6303 1 12 . 1 1 78 78 VAL H H 78 8.350 8.350 7.596 0.754 17857 6304 1 12 . 1 1 79 79 ALA N N 79 125.018 125.018 120.218 4.800 17857 6305 1 12 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.053 -0.015 17857 6306 1 12 . 1 1 79 79 ALA C C 79 178.321 178.321 178.601 -0.280 17857 6307 1 12 . 1 1 79 79 ALA CA C 79 56.081 56.081 54.145 1.936 17857 6308 1 12 . 1 1 79 79 ALA CB C 79 18.289 18.289 17.966 0.323 17857 6309 1 12 . 1 1 79 79 ALA H H 79 9.009 9.009 7.484 1.525 17857 6310 1 12 . 1 1 80 80 ALA N N 80 121.933 121.933 123.515 -1.582 17857 6311 1 12 . 1 1 80 80 ALA HA H 80 4.003 4.003 4.025 -0.022 17857 6312 1 12 . 1 1 80 80 ALA C C 80 181.548 181.548 179.123 2.425 17857 6313 1 12 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.983 0.436 17857 6314 1 12 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.052 -0.383 17857 6315 1 12 . 1 1 80 80 ALA H H 80 8.311 8.311 7.126 1.185 17857 6316 1 12 . 1 1 81 81 LEU N N 81 117.563 117.563 115.054 2.509 17857 6317 1 12 . 1 1 81 81 LEU HA H 81 4.033 4.033 3.960 0.073 17857 6318 1 12 . 1 1 81 81 LEU C C 81 178.536 178.536 178.592 -0.056 17857 6319 1 12 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.302 0.361 17857 6320 1 12 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.083 0.870 17857 6321 1 12 . 1 1 81 81 LEU H H 81 8.056 8.056 7.476 0.580 17857 6322 1 12 . 1 1 82 82 THR N N 82 117.473 117.473 116.908 0.565 17857 6323 1 12 . 1 1 82 82 THR HA H 82 3.669 3.669 3.256 0.413 17857 6324 1 12 . 1 1 82 82 THR C C 82 176.658 176.658 176.355 0.303 17857 6325 1 12 . 1 1 82 82 THR CA C 82 68.836 68.836 66.611 2.225 17857 6326 1 12 . 1 1 82 82 THR CB C 82 67.515 67.515 68.371 -0.856 17857 6327 1 12 . 1 1 82 82 THR H H 82 8.299 8.299 7.196 1.103 17857 6328 1 12 . 1 1 83 83 VAL N N 83 121.111 121.111 121.441 -0.330 17857 6329 1 12 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.624 -0.498 17857 6330 1 12 . 1 1 83 83 VAL C C 83 176.323 176.323 176.520 -0.197 17857 6331 1 12 . 1 1 83 83 VAL CA C 83 65.247 65.247 66.121 -0.874 17857 6332 1 12 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.599 -0.577 17857 6333 1 12 . 1 1 83 83 VAL H H 83 7.953 7.953 7.769 0.184 17857 6334 1 12 . 1 1 84 84 ALA N N 84 117.068 117.068 119.658 -2.590 17857 6335 1 12 . 1 1 84 84 ALA HA H 84 4.573 4.573 3.989 0.585 17857 6336 1 12 . 1 1 84 84 ALA C C 84 177.919 177.919 178.512 -0.593 17857 6337 1 12 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.796 -0.776 17857 6338 1 12 . 1 1 84 84 ALA CB C 84 20.943 20.943 19.029 1.914 17857 6339 1 12 . 1 1 84 84 ALA H H 84 7.105 7.105 7.728 -0.623 17857 6340 1 12 . 1 1 85 85 CYS N N 85 112.195 112.195 113.254 -1.059 17857 6341 1 12 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.632 -0.092 17857 6342 1 12 . 1 1 85 85 CYS C C 85 173.282 173.282 174.876 -1.594 17857 6343 1 12 . 1 1 85 85 CYS CA C 85 60.342 60.342 59.111 1.231 17857 6344 1 12 . 1 1 85 85 CYS CB C 85 32.440 32.440 27.806 4.634 17857 6345 1 12 . 1 1 85 85 CYS H H 85 7.371 7.371 7.291 0.080 17857 6346 1 12 . 1 1 86 86 ASN N N 86 118.815 118.815 120.473 -1.658 17857 6347 1 12 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.613 -0.116 17857 6348 1 12 . 1 1 86 86 ASN CA C 86 54.737 54.737 55.378 -0.641 17857 6349 1 12 . 1 1 86 86 ASN CB C 86 42.130 42.130 39.452 2.678 17857 6350 1 12 . 1 1 86 86 ASN H H 86 8.347 8.347 8.219 0.128 17857 6351 1 12 . 1 1 87 87 ASN HA H 87 4.325 4.325 5.224 -0.899 17857 6352 1 12 . 1 1 87 87 ASN C C 87 176.216 176.216 174.515 1.701 17857 6353 1 12 . 1 1 87 87 ASN CA C 87 56.570 56.570 52.555 4.015 17857 6354 1 12 . 1 1 87 87 ASN CB C 87 38.479 38.479 38.633 -0.154 17857 6355 1 12 . 1 1 88 88 PHE N N 88 120.522 120.522 120.151 0.371 17857 6356 1 12 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.269 -0.172 17857 6357 1 12 . 1 1 88 88 PHE C C 88 176.803 176.803 176.558 0.245 17857 6358 1 12 . 1 1 88 88 PHE CA C 88 61.023 61.023 61.800 -0.777 17857 6359 1 12 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.304 0.378 17857 6360 1 12 . 1 1 88 88 PHE H H 88 8.642 8.642 8.349 0.293 17857 6361 1 12 . 1 1 89 89 PHE N N 89 112.727 112.727 114.899 -2.172 17857 6362 1 12 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.538 -0.735 17857 6363 1 12 . 1 1 89 89 PHE C C 89 173.691 173.691 177.086 -3.395 17857 6364 1 12 . 1 1 89 89 PHE CA C 89 59.208 59.208 58.846 0.362 17857 6365 1 12 . 1 1 89 89 PHE CB C 89 39.029 39.029 39.254 -0.225 17857 6366 1 12 . 1 1 89 89 PHE H H 89 7.408 7.408 8.265 -0.857 17857 6367 1 12 . 1 1 90 90 TRP N N 90 118.731 118.731 118.329 0.402 17857 6368 1 12 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.439 0.151 17857 6369 1 12 . 1 1 90 90 TRP C C 90 175.269 175.269 177.305 -2.036 17857 6370 1 12 . 1 1 90 90 TRP CA C 90 56.840 56.840 58.451 -1.611 17857 6371 1 12 . 1 1 90 90 TRP CB C 90 31.400 31.400 29.506 1.894 17857 6372 1 12 . 1 1 90 90 TRP H H 90 7.359 7.359 8.093 -0.734 17857 6373 1 12 . 1 1 91 91 GLU N N 91 121.302 121.302 117.606 3.696 17857 6374 1 12 . 1 1 91 91 GLU HA H 91 4.342 4.342 3.810 0.532 17857 6375 1 12 . 1 1 91 91 GLU C C 91 176.081 176.081 176.340 -0.259 17857 6376 1 12 . 1 1 91 91 GLU CA C 91 56.857 56.857 58.681 -1.825 17857 6377 1 12 . 1 1 91 91 GLU CB C 91 30.548 30.548 28.766 1.782 17857 6378 1 12 . 1 1 91 91 GLU H H 91 7.766 7.766 8.285 -0.519 17857 6379 1 12 . 1 1 92 92 ASN N N 92 120.522 120.522 118.943 1.579 17857 6380 1 12 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.911 -0.144 17857 6381 1 12 . 1 1 92 92 ASN C C 92 174.283 174.283 174.106 0.177 17857 6382 1 12 . 1 1 92 92 ASN CA C 92 53.407 53.407 52.855 0.552 17857 6383 1 12 . 1 1 92 92 ASN CB C 92 39.276 39.276 39.424 -0.148 17857 6384 1 12 . 1 1 92 92 ASN H H 92 8.462 8.462 8.437 0.025 17857 6385 1 13 . 1 1 2 2 SER N N 2 118.698 118.698 117.025 1.673 17857 6386 1 13 . 1 1 2 2 SER HA H 2 4.691 4.691 4.638 0.053 17857 6387 1 13 . 1 1 2 2 SER C C 2 175.496 175.496 174.969 0.527 17857 6388 1 13 . 1 1 2 2 SER CA C 2 57.481 57.481 57.740 -0.259 17857 6389 1 13 . 1 1 2 2 SER CB C 2 65.371 65.371 65.518 -0.147 17857 6390 1 13 . 1 1 2 2 SER H H 2 9.211 9.211 8.248 0.963 17857 6391 1 13 . 1 1 3 3 GLU N N 3 122.860 122.860 122.020 0.840 17857 6392 1 13 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.169 -0.054 17857 6393 1 13 . 1 1 3 3 GLU C C 3 179.171 179.171 178.833 0.338 17857 6394 1 13 . 1 1 3 3 GLU CA C 3 60.757 60.757 58.796 1.961 17857 6395 1 13 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.655 -0.616 17857 6396 1 13 . 1 1 3 3 GLU H H 3 9.205 9.205 8.938 0.267 17857 6397 1 13 . 1 1 4 4 LEU N N 4 120.718 120.718 119.713 1.005 17857 6398 1 13 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.108 -0.072 17857 6399 1 13 . 1 1 4 4 LEU C C 4 178.360 178.360 178.222 0.138 17857 6400 1 13 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.614 0.297 17857 6401 1 13 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.706 0.656 17857 6402 1 13 . 1 1 4 4 LEU H H 4 8.854 8.854 7.990 0.864 17857 6403 1 13 . 1 1 5 5 GLU N N 5 118.542 118.542 117.994 0.548 17857 6404 1 13 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.963 -0.708 17857 6405 1 13 . 1 1 5 5 GLU C C 5 179.204 179.204 179.169 0.035 17857 6406 1 13 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.514 0.303 17857 6407 1 13 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.396 -0.193 17857 6408 1 13 . 1 1 5 5 GLU H H 5 7.791 7.791 7.862 -0.071 17857 6409 1 13 . 1 1 6 6 THR N N 6 115.783 115.783 113.821 1.962 17857 6410 1 13 . 1 1 6 6 THR HA H 6 4.017 4.017 4.076 -0.059 17857 6411 1 13 . 1 1 6 6 THR C C 6 176.807 176.807 175.734 1.073 17857 6412 1 13 . 1 1 6 6 THR CA C 6 66.668 66.668 64.889 1.779 17857 6413 1 13 . 1 1 6 6 THR CB C 6 68.763 68.763 68.798 -0.035 17857 6414 1 13 . 1 1 6 6 THR H H 6 8.371 8.371 7.695 0.676 17857 6415 1 13 . 1 1 7 7 ALA N N 7 125.707 125.707 124.012 1.695 17857 6416 1 13 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.037 0.235 17857 6417 1 13 . 1 1 7 7 ALA C C 7 179.856 179.856 179.490 0.366 17857 6418 1 13 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.145 0.557 17857 6419 1 13 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.289 -0.059 17857 6420 1 13 . 1 1 7 7 ALA H H 7 8.267 8.267 7.519 0.748 17857 6421 1 13 . 1 1 8 8 MET N N 8 115.222 115.222 115.843 -0.621 17857 6422 1 13 . 1 1 8 8 MET HA H 8 4.858 4.858 4.423 0.435 17857 6423 1 13 . 1 1 8 8 MET C C 8 179.635 179.635 178.663 0.972 17857 6424 1 13 . 1 1 8 8 MET CA C 8 56.669 56.669 56.567 0.102 17857 6425 1 13 . 1 1 8 8 MET CB C 8 29.136 29.136 31.347 -2.211 17857 6426 1 13 . 1 1 8 8 MET H H 8 8.106 8.106 7.661 0.445 17857 6427 1 13 . 1 1 9 9 GLU N N 9 120.456 120.456 118.803 1.653 17857 6428 1 13 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.159 -0.044 17857 6429 1 13 . 1 1 9 9 GLU C C 9 179.531 179.531 179.373 0.158 17857 6430 1 13 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.059 1.572 17857 6431 1 13 . 1 1 9 9 GLU CB C 9 28.977 28.977 28.893 0.084 17857 6432 1 13 . 1 1 9 9 GLU H H 9 8.658 8.658 7.797 0.861 17857 6433 1 13 . 1 1 10 10 THR N N 10 118.547 118.547 116.939 1.608 17857 6434 1 13 . 1 1 10 10 THR HA H 10 4.116 4.116 4.178 -0.062 17857 6435 1 13 . 1 1 10 10 THR C C 10 175.942 175.942 176.135 -0.193 17857 6436 1 13 . 1 1 10 10 THR CA C 10 67.521 67.521 66.151 1.370 17857 6437 1 13 . 1 1 10 10 THR CB C 10 67.933 67.933 69.000 -1.067 17857 6438 1 13 . 1 1 10 10 THR H H 10 8.417 8.417 7.855 0.562 17857 6439 1 13 . 1 1 11 11 LEU N N 11 121.715 121.715 122.567 -0.852 17857 6440 1 13 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.304 -0.237 17857 6441 1 13 . 1 1 11 11 LEU C C 11 181.784 181.784 178.836 2.948 17857 6442 1 13 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.305 2.138 17857 6443 1 13 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.378 -0.385 17857 6444 1 13 . 1 1 11 11 LEU H H 11 8.324 8.324 7.488 0.836 17857 6445 1 13 . 1 1 12 12 ILE N N 12 121.081 121.081 119.090 1.991 17857 6446 1 13 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.829 -0.265 17857 6447 1 13 . 1 1 12 12 ILE C C 12 176.221 176.221 176.863 -0.642 17857 6448 1 13 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.439 1.739 17857 6449 1 13 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.658 0.737 17857 6450 1 13 . 1 1 12 12 ILE H H 12 8.419 8.419 8.150 0.269 17857 6451 1 13 . 1 1 13 13 ASN N N 13 120.254 120.254 117.794 2.460 17857 6452 1 13 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.532 -0.162 17857 6453 1 13 . 1 1 13 13 ASN C C 13 179.124 179.124 177.475 1.649 17857 6454 1 13 . 1 1 13 13 ASN CA C 13 56.615 56.615 55.973 0.642 17857 6455 1 13 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.014 0.141 17857 6456 1 13 . 1 1 13 13 ASN H H 13 8.593 8.593 7.964 0.629 17857 6457 1 13 . 1 1 14 14 VAL N N 14 121.599 121.599 116.349 5.250 17857 6458 1 13 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.732 0.124 17857 6459 1 13 . 1 1 14 14 VAL C C 14 177.155 177.155 176.976 0.179 17857 6460 1 13 . 1 1 14 14 VAL CA C 14 66.705 66.705 64.151 2.554 17857 6461 1 13 . 1 1 14 14 VAL CB C 14 31.884 31.884 30.808 1.076 17857 6462 1 13 . 1 1 14 14 VAL H H 14 8.838 8.838 7.346 1.492 17857 6463 1 13 . 1 1 15 15 PHE N N 15 120.139 120.139 123.575 -3.436 17857 6464 1 13 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.975 -0.376 17857 6465 1 13 . 1 1 15 15 PHE C C 15 177.601 177.601 176.332 1.269 17857 6466 1 13 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.465 -0.066 17857 6467 1 13 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.347 0.285 17857 6468 1 13 . 1 1 15 15 PHE H H 15 7.456 7.456 7.437 0.019 17857 6469 1 13 . 1 1 16 16 HIS N N 16 118.175 118.175 118.448 -0.273 17857 6470 1 13 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.344 0.799 17857 6471 1 13 . 1 1 16 16 HIS C C 16 177.972 177.972 177.281 0.691 17857 6472 1 13 . 1 1 16 16 HIS CA C 16 55.795 55.795 57.871 -2.076 17857 6473 1 13 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.421 1.906 17857 6474 1 13 . 1 1 16 16 HIS H H 16 9.137 9.137 8.427 0.710 17857 6475 1 13 . 1 1 17 17 ALA N N 17 121.734 121.734 121.940 -0.206 17857 6476 1 13 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.013 -0.193 17857 6477 1 13 . 1 1 17 17 ALA C C 17 178.713 178.713 179.026 -0.313 17857 6478 1 13 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.557 0.060 17857 6479 1 13 . 1 1 17 17 ALA CB C 17 17.700 17.700 18.069 -0.369 17857 6480 1 13 . 1 1 17 17 ALA H H 17 8.133 8.133 6.712 1.421 17857 6481 1 13 . 1 1 18 18 HIS N N 18 113.408 113.408 115.612 -2.204 17857 6482 1 13 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.458 -0.138 17857 6483 1 13 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.445 0.392 17857 6484 1 13 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.003 2.645 17857 6485 1 13 . 1 1 18 18 HIS H H 18 7.286 7.286 7.482 -0.196 17857 6486 1 13 . 1 1 19 19 SER N N 19 120.877 120.877 116.374 4.503 17857 6487 1 13 . 1 1 19 19 SER HA H 19 4.124 4.124 4.134 -0.010 17857 6488 1 13 . 1 1 19 19 SER C C 19 176.676 176.676 176.308 0.368 17857 6489 1 13 . 1 1 19 19 SER CA C 19 60.979 60.979 60.991 -0.012 17857 6490 1 13 . 1 1 19 19 SER CB C 19 61.813 61.813 62.644 -0.831 17857 6491 1 13 . 1 1 19 19 SER H H 19 9.322 9.322 8.268 1.054 17857 6492 1 13 . 1 1 20 20 GLY N N 20 107.206 107.206 108.856 -1.650 17857 6493 1 13 . 1 1 20 20 GLY C C 20 174.913 174.913 174.230 0.683 17857 6494 1 13 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.749 -0.468 17857 6495 1 13 . 1 1 20 20 GLY H H 20 8.233 8.233 8.170 0.063 17857 6496 1 13 . 1 1 21 21 LYS N N 21 118.717 118.717 117.769 0.948 17857 6497 1 13 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.526 -0.485 17857 6498 1 13 . 1 1 21 21 LYS C C 21 176.623 176.623 174.740 1.883 17857 6499 1 13 . 1 1 21 21 LYS CA C 21 58.185 58.185 54.685 3.500 17857 6500 1 13 . 1 1 21 21 LYS CB C 21 33.157 33.157 34.424 -1.267 17857 6501 1 13 . 1 1 21 21 LYS H H 21 7.333 7.333 7.412 -0.079 17857 6502 1 13 . 1 1 22 22 GLU N N 22 116.257 116.257 117.723 -1.466 17857 6503 1 13 . 1 1 22 22 GLU HA H 22 4.441 4.441 3.958 0.483 17857 6504 1 13 . 1 1 22 22 GLU C C 22 175.554 175.554 176.210 -0.656 17857 6505 1 13 . 1 1 22 22 GLU CA C 22 55.488 55.488 56.898 -1.410 17857 6506 1 13 . 1 1 22 22 GLU CB C 22 31.892 31.892 29.086 2.806 17857 6507 1 13 . 1 1 22 22 GLU H H 22 7.603 7.603 8.659 -1.056 17857 6508 1 13 . 1 1 23 23 GLY N N 23 108.614 108.614 112.032 -3.418 17857 6509 1 13 . 1 1 23 23 GLY C C 23 173.976 173.976 173.386 0.590 17857 6510 1 13 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.692 1.332 17857 6511 1 13 . 1 1 23 23 GLY H H 23 8.261 8.261 8.440 -0.179 17857 6512 1 13 . 1 1 24 24 ASP N N 24 124.252 124.252 123.066 1.186 17857 6513 1 13 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.626 -0.067 17857 6514 1 13 . 1 1 24 24 ASP C C 24 177.376 177.376 176.904 0.472 17857 6515 1 13 . 1 1 24 24 ASP CA C 24 53.824 53.824 53.858 -0.035 17857 6516 1 13 . 1 1 24 24 ASP CB C 24 42.692 42.692 42.026 0.666 17857 6517 1 13 . 1 1 24 24 ASP H H 24 8.313 8.313 8.510 -0.197 17857 6518 1 13 . 1 1 25 25 LYS N N 25 125.006 125.006 122.282 2.724 17857 6519 1 13 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.310 -0.173 17857 6520 1 13 . 1 1 25 25 LYS C C 25 175.980 175.980 174.976 1.004 17857 6521 1 13 . 1 1 25 25 LYS CA C 25 57.436 57.436 56.679 0.757 17857 6522 1 13 . 1 1 25 25 LYS CB C 25 32.345 32.345 30.971 1.374 17857 6523 1 13 . 1 1 25 25 LYS H H 25 8.327 8.327 8.457 -0.130 17857 6524 1 13 . 1 1 26 26 TYR N N 26 117.300 117.300 116.651 0.649 17857 6525 1 13 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.575 0.511 17857 6526 1 13 . 1 1 26 26 TYR C C 26 175.592 175.592 174.918 0.674 17857 6527 1 13 . 1 1 26 26 TYR CA C 26 57.552 57.552 58.973 -1.421 17857 6528 1 13 . 1 1 26 26 TYR CB C 26 38.052 38.052 41.142 -3.090 17857 6529 1 13 . 1 1 26 26 TYR H H 26 8.490 8.490 7.389 1.101 17857 6530 1 13 . 1 1 27 27 LYS N N 27 117.820 117.820 119.004 -1.184 17857 6531 1 13 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.747 0.756 17857 6532 1 13 . 1 1 27 27 LYS C C 27 174.259 174.259 174.308 -0.049 17857 6533 1 13 . 1 1 27 27 LYS CA C 27 54.094 54.094 55.071 -0.976 17857 6534 1 13 . 1 1 27 27 LYS CB C 27 37.626 37.626 35.905 1.721 17857 6535 1 13 . 1 1 27 27 LYS H H 27 7.793 7.793 7.680 0.113 17857 6536 1 13 . 1 1 28 28 LEU N N 28 120.282 120.282 121.293 -1.011 17857 6537 1 13 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.511 0.237 17857 6538 1 13 . 1 1 28 28 LEU C C 28 176.038 176.038 176.358 -0.320 17857 6539 1 13 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.735 -0.693 17857 6540 1 13 . 1 1 28 28 LEU CB C 28 46.382 46.382 44.422 1.960 17857 6541 1 13 . 1 1 28 28 LEU H H 28 8.692 8.692 8.766 -0.074 17857 6542 1 13 . 1 1 29 29 SER N N 29 119.669 119.669 115.918 3.751 17857 6543 1 13 . 1 1 29 29 SER HA H 29 5.121 5.121 4.731 0.390 17857 6544 1 13 . 1 1 29 29 SER C C 29 175.936 175.936 175.553 0.383 17857 6545 1 13 . 1 1 29 29 SER CA C 29 57.760 57.760 57.429 0.331 17857 6546 1 13 . 1 1 29 29 SER CB C 29 64.689 64.689 65.330 -0.641 17857 6547 1 13 . 1 1 29 29 SER H H 29 8.797 8.797 8.428 0.369 17857 6548 1 13 . 1 1 30 30 LYS N N 30 124.194 124.194 123.115 1.079 17857 6549 1 13 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.108 -0.247 17857 6550 1 13 . 1 1 30 30 LYS C C 30 178.523 178.523 178.416 0.107 17857 6551 1 13 . 1 1 30 30 LYS CA C 30 61.591 61.591 59.911 1.680 17857 6552 1 13 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.257 -0.253 17857 6553 1 13 . 1 1 30 30 LYS H H 30 8.842 8.842 8.850 -0.008 17857 6554 1 13 . 1 1 31 31 LYS N N 31 119.922 119.922 119.490 0.432 17857 6555 1 13 . 1 1 31 31 LYS HA H 31 4.157 4.157 3.988 0.169 17857 6556 1 13 . 1 1 31 31 LYS C C 31 179.293 179.293 179.508 -0.215 17857 6557 1 13 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.458 -0.032 17857 6558 1 13 . 1 1 31 31 LYS CB C 31 32.586 32.586 31.937 0.649 17857 6559 1 13 . 1 1 31 31 LYS H H 31 8.786 8.786 8.082 0.704 17857 6560 1 13 . 1 1 32 32 GLN N N 32 119.859 119.859 118.050 1.809 17857 6561 1 13 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.024 0.093 17857 6562 1 13 . 1 1 32 32 GLN C C 32 179.272 179.272 178.023 1.249 17857 6563 1 13 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.149 0.029 17857 6564 1 13 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.148 0.672 17857 6565 1 13 . 1 1 32 32 GLN H H 32 7.769 7.769 7.624 0.145 17857 6566 1 13 . 1 1 33 33 LEU N N 33 122.146 122.146 120.454 1.692 17857 6567 1 13 . 1 1 33 33 LEU HA H 33 4.045 4.045 4.016 0.029 17857 6568 1 13 . 1 1 33 33 LEU C C 33 177.408 177.408 178.572 -1.164 17857 6569 1 13 . 1 1 33 33 LEU CA C 33 57.335 57.335 57.862 -0.527 17857 6570 1 13 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.962 -1.415 17857 6571 1 13 . 1 1 33 33 LEU H H 33 8.918 8.918 7.636 1.282 17857 6572 1 13 . 1 1 34 34 LYS N N 34 120.726 120.726 116.687 4.039 17857 6573 1 13 . 1 1 34 34 LYS HA H 34 3.626 3.626 4.068 -0.442 17857 6574 1 13 . 1 1 34 34 LYS C C 34 177.675 177.675 178.611 -0.936 17857 6575 1 13 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.148 1.837 17857 6576 1 13 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.190 -0.189 17857 6577 1 13 . 1 1 34 34 LYS H H 34 8.423 8.423 7.808 0.615 17857 6578 1 13 . 1 1 35 35 GLU N N 35 116.999 116.999 121.000 -4.001 17857 6579 1 13 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.097 -0.027 17857 6580 1 13 . 1 1 35 35 GLU C C 35 179.003 179.003 178.732 0.271 17857 6581 1 13 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.239 0.263 17857 6582 1 13 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.832 -0.437 17857 6583 1 13 . 1 1 35 35 GLU H H 35 7.186 7.186 7.761 -0.575 17857 6584 1 13 . 1 1 36 36 LEU N N 36 122.908 122.908 118.290 4.618 17857 6585 1 13 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.196 -0.483 17857 6586 1 13 . 1 1 36 36 LEU C C 36 178.810 178.810 178.604 0.206 17857 6587 1 13 . 1 1 36 36 LEU CA C 36 59.433 59.433 57.999 1.434 17857 6588 1 13 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.229 1.074 17857 6589 1 13 . 1 1 36 36 LEU H H 36 8.141 8.141 8.298 -0.157 17857 6590 1 13 . 1 1 37 37 LEU N N 37 119.746 119.746 121.165 -1.419 17857 6591 1 13 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.838 -0.149 17857 6592 1 13 . 1 1 37 37 LEU C C 37 178.128 178.128 179.156 -1.028 17857 6593 1 13 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.398 0.018 17857 6594 1 13 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.376 0.147 17857 6595 1 13 . 1 1 37 37 LEU H H 37 8.772 8.772 7.753 1.019 17857 6596 1 13 . 1 1 38 38 GLN N N 38 113.312 113.312 117.425 -4.113 17857 6597 1 13 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.065 -0.298 17857 6598 1 13 . 1 1 38 38 GLN C C 38 177.536 177.536 178.218 -0.682 17857 6599 1 13 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.592 0.194 17857 6600 1 13 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.671 0.343 17857 6601 1 13 . 1 1 38 38 GLN H H 38 8.082 8.082 7.976 0.106 17857 6602 1 13 . 1 1 39 39 THR N N 39 109.779 109.779 114.523 -4.744 17857 6603 1 13 . 1 1 39 39 THR HA H 39 4.312 4.312 4.073 0.239 17857 6604 1 13 . 1 1 39 39 THR C C 39 176.802 176.802 176.076 0.726 17857 6605 1 13 . 1 1 39 39 THR CA C 39 64.576 64.576 64.962 -0.386 17857 6606 1 13 . 1 1 39 39 THR CB C 39 69.847 69.847 68.761 1.086 17857 6607 1 13 . 1 1 39 39 THR H H 39 7.683 7.683 7.653 0.030 17857 6608 1 13 . 1 1 40 40 GLU N N 40 118.440 118.440 119.575 -1.135 17857 6609 1 13 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.251 0.465 17857 6610 1 13 . 1 1 40 40 GLU C C 40 177.106 177.106 177.971 -0.865 17857 6611 1 13 . 1 1 40 40 GLU CA C 40 56.922 56.922 58.157 -1.235 17857 6612 1 13 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.128 0.134 17857 6613 1 13 . 1 1 40 40 GLU H H 40 8.971 8.971 8.354 0.617 17857 6614 1 13 . 1 1 41 41 LEU N N 41 119.219 119.219 120.816 -1.597 17857 6615 1 13 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.312 0.816 17857 6616 1 13 . 1 1 41 41 LEU C C 41 177.669 177.669 177.448 0.221 17857 6617 1 13 . 1 1 41 41 LEU CA C 41 53.300 53.300 55.565 -2.265 17857 6618 1 13 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.508 -0.300 17857 6619 1 13 . 1 1 41 41 LEU H H 41 7.733 7.733 8.430 -0.697 17857 6620 1 13 . 1 1 42 42 SER N N 42 112.897 112.897 110.224 2.673 17857 6621 1 13 . 1 1 42 42 SER HA H 42 3.880 3.880 4.246 -0.366 17857 6622 1 13 . 1 1 42 42 SER C C 42 176.429 176.429 174.404 2.025 17857 6623 1 13 . 1 1 42 42 SER CA C 42 61.867 61.867 58.034 3.833 17857 6624 1 13 . 1 1 42 42 SER CB C 42 62.864 62.864 62.666 0.198 17857 6625 1 13 . 1 1 42 42 SER H H 42 6.915 6.915 8.457 -1.542 17857 6626 1 13 . 1 1 43 43 GLY N N 43 114.357 114.357 108.122 6.235 17857 6627 1 13 . 1 1 43 43 GLY C C 43 178.051 178.051 175.239 2.812 17857 6628 1 13 . 1 1 43 43 GLY CA C 43 46.844 46.844 44.727 2.117 17857 6629 1 13 . 1 1 43 43 GLY H H 43 9.244 9.244 8.026 1.218 17857 6630 1 13 . 1 1 44 44 PHE N N 44 124.297 124.297 122.338 1.959 17857 6631 1 13 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.238 0.355 17857 6632 1 13 . 1 1 44 44 PHE C C 44 178.168 178.168 177.359 0.809 17857 6633 1 13 . 1 1 44 44 PHE CA C 44 57.510 57.510 60.157 -2.647 17857 6634 1 13 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.049 -1.906 17857 6635 1 13 . 1 1 44 44 PHE H H 44 8.273 8.273 7.745 0.528 17857 6636 1 13 . 1 1 45 45 LEU N N 45 116.097 116.097 114.648 1.449 17857 6637 1 13 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.222 -0.046 17857 6638 1 13 . 1 1 45 45 LEU C C 45 179.069 179.069 177.642 1.427 17857 6639 1 13 . 1 1 45 45 LEU CA C 45 57.580 57.580 57.305 0.275 17857 6640 1 13 . 1 1 45 45 LEU CB C 45 41.377 41.377 40.867 0.510 17857 6641 1 13 . 1 1 45 45 LEU H H 45 8.559 8.559 8.044 0.515 17857 6642 1 13 . 1 1 46 46 ASP N N 46 119.849 119.849 120.688 -0.839 17857 6643 1 13 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.611 0.102 17857 6644 1 13 . 1 1 46 46 ASP C C 46 176.152 176.152 176.180 -0.028 17857 6645 1 13 . 1 1 46 46 ASP CA C 46 55.845 55.845 54.844 1.000 17857 6646 1 13 . 1 1 46 46 ASP CB C 46 41.640 41.640 41.182 0.458 17857 6647 1 13 . 1 1 46 46 ASP H H 46 7.707 7.707 7.856 -0.149 17857 6648 1 13 . 1 1 47 47 ALA N N 47 124.027 124.027 121.465 2.562 17857 6649 1 13 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.695 -0.087 17857 6650 1 13 . 1 1 47 47 ALA C C 47 176.271 176.271 175.902 0.369 17857 6651 1 13 . 1 1 47 47 ALA CA C 47 50.721 50.721 51.811 -1.090 17857 6652 1 13 . 1 1 47 47 ALA CB C 47 18.985 18.985 19.802 -0.817 17857 6653 1 13 . 1 1 47 47 ALA H H 47 7.710 7.710 7.735 -0.025 17857 6654 1 13 . 1 1 48 48 GLN N N 48 117.138 117.138 118.765 -1.627 17857 6655 1 13 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.265 -0.150 17857 6656 1 13 . 1 1 48 48 GLN C C 48 175.907 175.907 176.129 -0.222 17857 6657 1 13 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.850 1.224 17857 6658 1 13 . 1 1 48 48 GLN CB C 48 30.504 30.504 29.131 1.373 17857 6659 1 13 . 1 1 48 48 GLN H H 48 7.562 7.562 7.752 -0.190 17857 6660 1 13 . 1 1 49 49 LYS N N 49 121.265 121.265 123.956 -2.691 17857 6661 1 13 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.404 -0.255 17857 6662 1 13 . 1 1 49 49 LYS C C 49 176.157 176.157 177.085 -0.928 17857 6663 1 13 . 1 1 49 49 LYS CA C 49 56.337 56.337 56.797 -0.460 17857 6664 1 13 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.739 -1.508 17857 6665 1 13 . 1 1 49 49 LYS H H 49 7.974 7.974 8.838 -0.864 17857 6666 1 13 . 1 1 50 50 ASP N N 50 119.019 119.019 120.512 -1.493 17857 6667 1 13 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.779 -0.097 17857 6668 1 13 . 1 1 50 50 ASP C C 50 175.466 175.466 177.406 -1.940 17857 6669 1 13 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.178 -2.368 17857 6670 1 13 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.430 -1.475 17857 6671 1 13 . 1 1 50 50 ASP H H 50 7.523 7.523 8.420 -0.897 17857 6672 1 13 . 1 1 51 51 VAL N N 51 121.906 121.906 123.766 -1.860 17857 6673 1 13 . 1 1 51 51 VAL HA H 51 3.861 3.861 3.971 -0.110 17857 6674 1 13 . 1 1 51 51 VAL C C 51 178.158 178.158 177.030 1.128 17857 6675 1 13 . 1 1 51 51 VAL CA C 51 64.804 64.804 64.539 0.265 17857 6676 1 13 . 1 1 51 51 VAL CB C 51 31.831 31.831 32.414 -0.583 17857 6677 1 13 . 1 1 51 51 VAL H H 51 7.618 7.618 8.429 -0.811 17857 6678 1 13 . 1 1 52 52 ASP N N 52 119.692 119.692 121.564 -1.872 17857 6679 1 13 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.368 -0.009 17857 6680 1 13 . 1 1 52 52 ASP C C 52 178.427 178.427 177.952 0.475 17857 6681 1 13 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.036 0.323 17857 6682 1 13 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.491 1.430 17857 6683 1 13 . 1 1 52 52 ASP H H 52 8.081 8.081 8.543 -0.462 17857 6684 1 13 . 1 1 53 53 ALA N N 53 122.046 122.046 121.612 0.434 17857 6685 1 13 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.113 -0.093 17857 6686 1 13 . 1 1 53 53 ALA C C 53 180.602 180.602 179.682 0.920 17857 6687 1 13 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.627 0.103 17857 6688 1 13 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.282 0.586 17857 6689 1 13 . 1 1 53 53 ALA H H 53 7.538 7.538 8.029 -0.491 17857 6690 1 13 . 1 1 54 54 VAL N N 54 117.817 117.817 117.166 0.651 17857 6691 1 13 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.711 -0.361 17857 6692 1 13 . 1 1 54 54 VAL C C 54 177.718 177.718 177.753 -0.035 17857 6693 1 13 . 1 1 54 54 VAL CA C 54 66.667 66.667 66.038 0.629 17857 6694 1 13 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.148 0.567 17857 6695 1 13 . 1 1 54 54 VAL H H 54 7.286 7.286 7.434 -0.148 17857 6696 1 13 . 1 1 55 55 ASP N N 55 119.601 119.601 119.641 -0.040 17857 6697 1 13 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.489 -0.202 17857 6698 1 13 . 1 1 55 55 ASP C C 55 178.508 178.508 177.990 0.518 17857 6699 1 13 . 1 1 55 55 ASP CA C 55 57.618 57.618 56.353 1.265 17857 6700 1 13 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.575 0.652 17857 6701 1 13 . 1 1 55 55 ASP H H 55 8.456 8.456 8.123 0.333 17857 6702 1 13 . 1 1 56 56 LYS N N 56 117.890 117.890 121.122 -3.232 17857 6703 1 13 . 1 1 56 56 LYS HA H 56 3.935 3.935 4.045 -0.110 17857 6704 1 13 . 1 1 56 56 LYS C C 56 179.509 179.509 178.844 0.665 17857 6705 1 13 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.140 0.749 17857 6706 1 13 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.144 0.376 17857 6707 1 13 . 1 1 56 56 LYS H H 56 7.921 7.921 7.592 0.329 17857 6708 1 13 . 1 1 57 57 VAL N N 57 119.196 119.196 119.502 -0.306 17857 6709 1 13 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.766 -0.044 17857 6710 1 13 . 1 1 57 57 VAL C C 57 177.928 177.928 177.188 0.740 17857 6711 1 13 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.247 0.971 17857 6712 1 13 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.429 0.902 17857 6713 1 13 . 1 1 57 57 VAL H H 57 7.292 7.292 7.337 -0.045 17857 6714 1 13 . 1 1 58 58 MET N N 58 115.902 115.902 118.930 -3.028 17857 6715 1 13 . 1 1 58 58 MET HA H 58 4.128 4.128 4.037 0.091 17857 6716 1 13 . 1 1 58 58 MET C C 58 178.952 178.952 177.889 1.063 17857 6717 1 13 . 1 1 58 58 MET CA C 58 57.582 57.582 59.135 -1.553 17857 6718 1 13 . 1 1 58 58 MET CB C 58 31.511 31.511 32.068 -0.557 17857 6719 1 13 . 1 1 58 58 MET H H 58 8.313 8.313 7.460 0.853 17857 6720 1 13 . 1 1 59 59 LYS N N 59 118.845 118.845 119.299 -0.454 17857 6721 1 13 . 1 1 59 59 LYS HA H 59 4.072 4.072 4.233 -0.161 17857 6722 1 13 . 1 1 59 59 LYS C C 59 179.149 179.149 178.383 0.766 17857 6723 1 13 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.366 -0.206 17857 6724 1 13 . 1 1 59 59 LYS CB C 59 32.545 32.545 31.865 0.680 17857 6725 1 13 . 1 1 59 59 LYS H H 59 8.563 8.563 7.684 0.879 17857 6726 1 13 . 1 1 60 60 GLU N N 60 119.868 119.868 119.094 0.774 17857 6727 1 13 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.029 0.003 17857 6728 1 13 . 1 1 60 60 GLU C C 60 179.083 179.083 178.576 0.507 17857 6729 1 13 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.722 0.044 17857 6730 1 13 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.323 -0.566 17857 6731 1 13 . 1 1 60 60 GLU H H 60 7.467 7.467 7.594 -0.127 17857 6732 1 13 . 1 1 61 61 LEU N N 61 116.866 116.866 117.477 -0.611 17857 6733 1 13 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.044 -0.077 17857 6734 1 13 . 1 1 61 61 LEU C C 61 177.870 177.870 178.001 -0.131 17857 6735 1 13 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.237 0.014 17857 6736 1 13 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.778 -1.008 17857 6737 1 13 . 1 1 61 61 LEU H H 61 7.597 7.597 7.419 0.178 17857 6738 1 13 . 1 1 62 62 ASP N N 62 115.773 115.773 117.988 -2.215 17857 6739 1 13 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.419 0.068 17857 6740 1 13 . 1 1 62 62 ASP C C 62 178.871 178.871 179.583 -0.712 17857 6741 1 13 . 1 1 62 62 ASP CA C 62 56.121 56.121 57.059 -0.938 17857 6742 1 13 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.570 1.256 17857 6743 1 13 . 1 1 62 62 ASP H H 62 7.509 7.509 7.618 -0.109 17857 6744 1 13 . 1 1 63 63 GLU N N 63 119.120 119.120 119.478 -0.358 17857 6745 1 13 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.181 -0.050 17857 6746 1 13 . 1 1 63 63 GLU C C 63 176.937 176.937 178.166 -1.229 17857 6747 1 13 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.692 -0.639 17857 6748 1 13 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.103 0.016 17857 6749 1 13 . 1 1 63 63 GLU H H 63 8.068 8.068 7.905 0.163 17857 6750 1 13 . 1 1 64 64 ASN N N 64 117.779 117.779 116.983 0.796 17857 6751 1 13 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.853 0.269 17857 6752 1 13 . 1 1 64 64 ASN C C 64 176.299 176.299 175.565 0.734 17857 6753 1 13 . 1 1 64 64 ASN CA C 64 52.221 52.221 53.029 -0.808 17857 6754 1 13 . 1 1 64 64 ASN CB C 64 38.943 38.943 38.420 0.522 17857 6755 1 13 . 1 1 64 64 ASN H H 64 7.719 7.719 8.195 -0.476 17857 6756 1 13 . 1 1 65 65 GLY N N 65 106.860 106.860 109.299 -2.439 17857 6757 1 13 . 1 1 65 65 GLY C C 65 174.113 174.113 173.907 0.206 17857 6758 1 13 . 1 1 65 65 GLY CA C 65 47.965 47.965 45.345 2.620 17857 6759 1 13 . 1 1 65 65 GLY H H 65 7.705 7.705 7.917 -0.212 17857 6760 1 13 . 1 1 66 66 ASP N N 66 115.761 115.761 121.972 -6.211 17857 6761 1 13 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.729 0.108 17857 6762 1 13 . 1 1 66 66 ASP C C 66 177.865 177.865 176.613 1.252 17857 6763 1 13 . 1 1 66 66 ASP CA C 66 54.199 54.199 54.004 0.195 17857 6764 1 13 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.847 -1.063 17857 6765 1 13 . 1 1 66 66 ASP H H 66 8.266 8.266 8.152 0.114 17857 6766 1 13 . 1 1 67 67 GLY N N 67 109.034 109.034 106.963 2.071 17857 6767 1 13 . 1 1 67 67 GLY C C 67 172.364 172.364 172.478 -0.114 17857 6768 1 13 . 1 1 67 67 GLY CA C 67 45.136 45.136 44.764 0.372 17857 6769 1 13 . 1 1 67 67 GLY H H 67 8.237 8.237 8.104 0.133 17857 6770 1 13 . 1 1 68 68 GLU N N 68 117.964 117.964 118.721 -0.757 17857 6771 1 13 . 1 1 68 68 GLU HA H 68 5.169 5.169 4.088 1.081 17857 6772 1 13 . 1 1 68 68 GLU C C 68 176.201 176.201 174.627 1.574 17857 6773 1 13 . 1 1 68 68 GLU CA C 68 55.328 55.328 57.300 -1.972 17857 6774 1 13 . 1 1 68 68 GLU CB C 68 33.900 33.900 29.734 4.166 17857 6775 1 13 . 1 1 68 68 GLU H H 68 8.415 8.415 8.501 -0.086 17857 6776 1 13 . 1 1 69 69 VAL N N 69 116.232 116.232 122.208 -5.976 17857 6777 1 13 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.414 0.487 17857 6778 1 13 . 1 1 69 69 VAL C C 69 174.378 174.378 174.676 -0.298 17857 6779 1 13 . 1 1 69 69 VAL CA C 69 59.551 59.551 60.170 -0.619 17857 6780 1 13 . 1 1 69 69 VAL CB C 69 35.098 35.098 36.683 -1.585 17857 6781 1 13 . 1 1 69 69 VAL H H 69 9.134 9.134 9.013 0.121 17857 6782 1 13 . 1 1 70 70 ASP N N 70 121.337 121.337 127.639 -6.302 17857 6783 1 13 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.859 0.672 17857 6784 1 13 . 1 1 70 70 ASP C C 70 176.081 176.081 176.569 -0.488 17857 6785 1 13 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.434 -1.119 17857 6786 1 13 . 1 1 70 70 ASP CB C 70 42.873 42.873 43.264 -0.391 17857 6787 1 13 . 1 1 70 70 ASP H H 70 8.233 8.233 8.343 -0.110 17857 6788 1 13 . 1 1 71 71 PHE N N 71 119.131 119.131 123.802 -4.671 17857 6789 1 13 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.711 -0.262 17857 6790 1 13 . 1 1 71 71 PHE C C 71 176.693 176.693 176.740 -0.047 17857 6791 1 13 . 1 1 71 71 PHE CA C 71 61.576 61.576 61.739 -0.163 17857 6792 1 13 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.362 1.106 17857 6793 1 13 . 1 1 71 71 PHE H H 71 9.370 9.370 8.809 0.561 17857 6794 1 13 . 1 1 72 72 GLN N N 72 116.462 116.462 117.620 -1.158 17857 6795 1 13 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.794 -0.356 17857 6796 1 13 . 1 1 72 72 GLN C C 72 177.396 177.396 177.930 -0.534 17857 6797 1 13 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.537 1.230 17857 6798 1 13 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.156 0.627 17857 6799 1 13 . 1 1 72 72 GLN H H 72 8.096 8.096 8.339 -0.243 17857 6800 1 13 . 1 1 73 73 GLU N N 73 119.541 119.541 118.375 1.166 17857 6801 1 13 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.069 -0.082 17857 6802 1 13 . 1 1 73 73 GLU C C 73 178.861 178.861 178.637 0.224 17857 6803 1 13 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.988 0.291 17857 6804 1 13 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.263 1.043 17857 6805 1 13 . 1 1 73 73 GLU H H 73 8.139 8.139 8.699 -0.560 17857 6806 1 13 . 1 1 74 74 TYR N N 74 122.065 122.065 121.125 0.940 17857 6807 1 13 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.273 0.049 17857 6808 1 13 . 1 1 74 74 TYR C C 74 175.562 175.562 177.049 -1.487 17857 6809 1 13 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.286 -0.959 17857 6810 1 13 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.961 -2.094 17857 6811 1 13 . 1 1 74 74 TYR H H 74 8.157 8.157 7.820 0.337 17857 6812 1 13 . 1 1 75 75 VAL N N 75 119.872 119.872 117.953 1.919 17857 6813 1 13 . 1 1 75 75 VAL HA H 75 2.670 2.670 2.941 -0.271 17857 6814 1 13 . 1 1 75 75 VAL C C 75 177.425 177.425 177.898 -0.473 17857 6815 1 13 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.343 1.658 17857 6816 1 13 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.001 0.700 17857 6817 1 13 . 1 1 75 75 VAL H H 75 7.915 7.915 8.121 -0.206 17857 6818 1 13 . 1 1 76 76 VAL N N 76 119.169 119.169 119.757 -0.588 17857 6819 1 13 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.610 -0.260 17857 6820 1 13 . 1 1 76 76 VAL C C 76 178.933 178.933 178.086 0.847 17857 6821 1 13 . 1 1 76 76 VAL CA C 76 66.800 66.800 65.669 1.131 17857 6822 1 13 . 1 1 76 76 VAL CB C 76 31.600 31.600 30.902 0.698 17857 6823 1 13 . 1 1 76 76 VAL H H 76 7.545 7.545 7.635 -0.090 17857 6824 1 13 . 1 1 77 77 LEU N N 77 121.356 121.356 119.589 1.767 17857 6825 1 13 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.949 0.230 17857 6826 1 13 . 1 1 77 77 LEU C C 77 179.226 179.226 178.457 0.769 17857 6827 1 13 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.517 0.756 17857 6828 1 13 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.846 0.146 17857 6829 1 13 . 1 1 77 77 LEU H H 77 7.789 7.789 7.155 0.634 17857 6830 1 13 . 1 1 78 78 VAL N N 78 119.358 119.358 117.772 1.586 17857 6831 1 13 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.541 -0.088 17857 6832 1 13 . 1 1 78 78 VAL C C 78 180.653 180.653 177.027 3.626 17857 6833 1 13 . 1 1 78 78 VAL CA C 78 67.253 67.253 65.995 1.258 17857 6834 1 13 . 1 1 78 78 VAL CB C 78 31.392 31.392 30.913 0.479 17857 6835 1 13 . 1 1 78 78 VAL H H 78 8.350 8.350 7.628 0.723 17857 6836 1 13 . 1 1 79 79 ALA N N 79 125.018 125.018 119.384 5.634 17857 6837 1 13 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.081 -0.043 17857 6838 1 13 . 1 1 79 79 ALA C C 79 178.321 178.321 178.904 -0.583 17857 6839 1 13 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.969 2.112 17857 6840 1 13 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.108 0.181 17857 6841 1 13 . 1 1 79 79 ALA H H 79 9.009 9.009 7.132 1.877 17857 6842 1 13 . 1 1 80 80 ALA N N 80 121.933 121.933 123.280 -1.347 17857 6843 1 13 . 1 1 80 80 ALA HA H 80 4.003 4.003 4.011 -0.008 17857 6844 1 13 . 1 1 80 80 ALA C C 80 181.548 181.548 179.227 2.321 17857 6845 1 13 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.966 0.453 17857 6846 1 13 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.050 -0.381 17857 6847 1 13 . 1 1 80 80 ALA H H 80 8.311 8.311 7.155 1.156 17857 6848 1 13 . 1 1 81 81 LEU N N 81 117.563 117.563 114.175 3.388 17857 6849 1 13 . 1 1 81 81 LEU HA H 81 4.033 4.033 4.037 -0.004 17857 6850 1 13 . 1 1 81 81 LEU C C 81 178.536 178.536 178.305 0.231 17857 6851 1 13 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.144 0.519 17857 6852 1 13 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.242 0.711 17857 6853 1 13 . 1 1 81 81 LEU H H 81 8.056 8.056 7.584 0.472 17857 6854 1 13 . 1 1 82 82 THR N N 82 117.473 117.473 116.109 1.364 17857 6855 1 13 . 1 1 82 82 THR HA H 82 3.669 3.669 3.611 0.058 17857 6856 1 13 . 1 1 82 82 THR C C 82 176.658 176.658 176.312 0.346 17857 6857 1 13 . 1 1 82 82 THR CA C 82 68.836 68.836 66.277 2.559 17857 6858 1 13 . 1 1 82 82 THR CB C 82 67.515 67.515 68.213 -0.698 17857 6859 1 13 . 1 1 82 82 THR H H 82 8.299 8.299 7.425 0.874 17857 6860 1 13 . 1 1 83 83 VAL N N 83 121.111 121.111 120.492 0.619 17857 6861 1 13 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.695 -0.569 17857 6862 1 13 . 1 1 83 83 VAL C C 83 176.323 176.323 176.396 -0.073 17857 6863 1 13 . 1 1 83 83 VAL CA C 83 65.247 65.247 65.328 -0.081 17857 6864 1 13 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.116 -0.094 17857 6865 1 13 . 1 1 83 83 VAL H H 83 7.953 7.953 7.535 0.418 17857 6866 1 13 . 1 1 84 84 ALA N N 84 117.068 117.068 120.024 -2.956 17857 6867 1 13 . 1 1 84 84 ALA HA H 84 4.573 4.573 3.915 0.658 17857 6868 1 13 . 1 1 84 84 ALA C C 84 177.919 177.919 178.371 -0.452 17857 6869 1 13 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.716 -0.696 17857 6870 1 13 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.873 2.070 17857 6871 1 13 . 1 1 84 84 ALA H H 84 7.105 7.105 7.492 -0.387 17857 6872 1 13 . 1 1 85 85 CYS N N 85 112.195 112.195 111.925 0.270 17857 6873 1 13 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.458 0.082 17857 6874 1 13 . 1 1 85 85 CYS C C 85 173.282 173.282 175.117 -1.835 17857 6875 1 13 . 1 1 85 85 CYS CA C 85 60.342 60.342 57.743 2.599 17857 6876 1 13 . 1 1 85 85 CYS CB C 85 32.440 32.440 29.306 3.134 17857 6877 1 13 . 1 1 85 85 CYS H H 85 7.371 7.371 7.062 0.309 17857 6878 1 13 . 1 1 86 86 ASN N N 86 118.815 118.815 122.888 -4.073 17857 6879 1 13 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.648 -0.151 17857 6880 1 13 . 1 1 86 86 ASN CA C 86 54.737 54.737 55.172 -0.435 17857 6881 1 13 . 1 1 86 86 ASN CB C 86 42.130 42.130 39.019 3.111 17857 6882 1 13 . 1 1 86 86 ASN H H 86 8.347 8.347 7.872 0.475 17857 6883 1 13 . 1 1 87 87 ASN HA H 87 4.325 4.325 5.008 -0.683 17857 6884 1 13 . 1 1 87 87 ASN C C 87 176.216 176.216 174.723 1.493 17857 6885 1 13 . 1 1 87 87 ASN CA C 87 56.570 56.570 52.487 4.083 17857 6886 1 13 . 1 1 87 87 ASN CB C 87 38.479 38.479 38.805 -0.326 17857 6887 1 13 . 1 1 88 88 PHE N N 88 120.522 120.522 118.146 2.376 17857 6888 1 13 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.191 -0.094 17857 6889 1 13 . 1 1 88 88 PHE C C 88 176.803 176.803 175.579 1.224 17857 6890 1 13 . 1 1 88 88 PHE CA C 88 61.023 61.023 59.796 1.227 17857 6891 1 13 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.310 0.372 17857 6892 1 13 . 1 1 88 88 PHE H H 88 8.642 8.642 8.635 0.007 17857 6893 1 13 . 1 1 89 89 PHE N N 89 112.727 112.727 114.507 -1.780 17857 6894 1 13 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.549 -0.746 17857 6895 1 13 . 1 1 89 89 PHE C C 89 173.691 173.691 175.789 -2.098 17857 6896 1 13 . 1 1 89 89 PHE CA C 89 59.208 59.208 58.964 0.244 17857 6897 1 13 . 1 1 89 89 PHE CB C 89 39.029 39.029 39.886 -0.857 17857 6898 1 13 . 1 1 89 89 PHE H H 89 7.408 7.408 7.745 -0.337 17857 6899 1 13 . 1 1 90 90 TRP N N 90 118.731 118.731 120.535 -1.804 17857 6900 1 13 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.854 -0.264 17857 6901 1 13 . 1 1 90 90 TRP C C 90 175.269 175.269 176.850 -1.581 17857 6902 1 13 . 1 1 90 90 TRP CA C 90 56.840 56.840 57.665 -0.825 17857 6903 1 13 . 1 1 90 90 TRP CB C 90 31.400 31.400 28.504 2.896 17857 6904 1 13 . 1 1 90 90 TRP H H 90 7.359 7.359 8.658 -1.299 17857 6905 1 13 . 1 1 91 91 GLU N N 91 121.302 121.302 119.359 1.943 17857 6906 1 13 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.255 0.087 17857 6907 1 13 . 1 1 91 91 GLU C C 91 176.081 176.081 176.643 -0.562 17857 6908 1 13 . 1 1 91 91 GLU CA C 91 56.857 56.857 58.203 -1.346 17857 6909 1 13 . 1 1 91 91 GLU CB C 91 30.548 30.548 29.653 0.895 17857 6910 1 13 . 1 1 91 91 GLU H H 91 7.766 7.766 8.068 -0.302 17857 6911 1 13 . 1 1 92 92 ASN N N 92 120.522 120.522 117.978 2.544 17857 6912 1 13 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.880 -0.113 17857 6913 1 13 . 1 1 92 92 ASN C C 92 174.283 174.283 174.349 -0.066 17857 6914 1 13 . 1 1 92 92 ASN CA C 92 53.407 53.407 52.753 0.654 17857 6915 1 13 . 1 1 92 92 ASN CB C 92 39.276 39.276 39.359 -0.083 17857 6916 1 13 . 1 1 92 92 ASN H H 92 8.462 8.462 8.025 0.437 17857 6917 1 14 . 1 1 2 2 SER N N 2 118.698 118.698 114.828 3.870 17857 6918 1 14 . 1 1 2 2 SER HA H 2 4.691 4.691 4.789 -0.098 17857 6919 1 14 . 1 1 2 2 SER C C 2 175.496 175.496 174.609 0.887 17857 6920 1 14 . 1 1 2 2 SER CA C 2 57.481 57.481 57.330 0.151 17857 6921 1 14 . 1 1 2 2 SER CB C 2 65.371 65.371 66.340 -0.969 17857 6922 1 14 . 1 1 2 2 SER H H 2 9.211 9.211 8.313 0.898 17857 6923 1 14 . 1 1 3 3 GLU N N 3 122.860 122.860 121.443 1.417 17857 6924 1 14 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.152 -0.037 17857 6925 1 14 . 1 1 3 3 GLU C C 3 179.171 179.171 178.728 0.443 17857 6926 1 14 . 1 1 3 3 GLU CA C 3 60.757 60.757 58.791 1.966 17857 6927 1 14 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.784 -0.745 17857 6928 1 14 . 1 1 3 3 GLU H H 3 9.205 9.205 8.834 0.371 17857 6929 1 14 . 1 1 4 4 LEU N N 4 120.718 120.718 119.767 0.951 17857 6930 1 14 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.115 -0.079 17857 6931 1 14 . 1 1 4 4 LEU C C 4 178.360 178.360 178.118 0.242 17857 6932 1 14 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.486 0.425 17857 6933 1 14 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.673 0.689 17857 6934 1 14 . 1 1 4 4 LEU H H 4 8.854 8.854 8.055 0.799 17857 6935 1 14 . 1 1 5 5 GLU N N 5 118.542 118.542 118.067 0.475 17857 6936 1 14 . 1 1 5 5 GLU HA H 5 3.255 3.255 4.001 -0.746 17857 6937 1 14 . 1 1 5 5 GLU C C 5 179.204 179.204 178.762 0.442 17857 6938 1 14 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.663 0.154 17857 6939 1 14 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.486 -0.283 17857 6940 1 14 . 1 1 5 5 GLU H H 5 7.791 7.791 7.527 0.264 17857 6941 1 14 . 1 1 6 6 THR N N 6 115.783 115.783 114.025 1.758 17857 6942 1 14 . 1 1 6 6 THR HA H 6 4.017 4.017 4.201 -0.184 17857 6943 1 14 . 1 1 6 6 THR C C 6 176.807 176.807 175.757 1.050 17857 6944 1 14 . 1 1 6 6 THR CA C 6 66.668 66.668 64.284 2.384 17857 6945 1 14 . 1 1 6 6 THR CB C 6 68.763 68.763 68.845 -0.082 17857 6946 1 14 . 1 1 6 6 THR H H 6 8.371 8.371 7.606 0.765 17857 6947 1 14 . 1 1 7 7 ALA N N 7 125.707 125.707 124.819 0.888 17857 6948 1 14 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.051 0.221 17857 6949 1 14 . 1 1 7 7 ALA C C 7 179.856 179.856 179.413 0.443 17857 6950 1 14 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.119 0.583 17857 6951 1 14 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.372 -0.142 17857 6952 1 14 . 1 1 7 7 ALA H H 7 8.267 8.267 7.868 0.399 17857 6953 1 14 . 1 1 8 8 MET N N 8 115.222 115.222 115.336 -0.114 17857 6954 1 14 . 1 1 8 8 MET HA H 8 4.858 4.858 4.460 0.398 17857 6955 1 14 . 1 1 8 8 MET C C 8 179.635 179.635 178.563 1.072 17857 6956 1 14 . 1 1 8 8 MET CA C 8 56.669 56.669 56.453 0.216 17857 6957 1 14 . 1 1 8 8 MET CB C 8 29.136 29.136 31.273 -2.137 17857 6958 1 14 . 1 1 8 8 MET H H 8 8.106 8.106 7.681 0.425 17857 6959 1 14 . 1 1 9 9 GLU N N 9 120.456 120.456 119.650 0.806 17857 6960 1 14 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.126 -0.011 17857 6961 1 14 . 1 1 9 9 GLU C C 9 179.531 179.531 179.457 0.074 17857 6962 1 14 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.293 1.338 17857 6963 1 14 . 1 1 9 9 GLU CB C 9 28.977 28.977 28.903 0.074 17857 6964 1 14 . 1 1 9 9 GLU H H 9 8.658 8.658 8.068 0.590 17857 6965 1 14 . 1 1 10 10 THR N N 10 118.547 118.547 117.472 1.075 17857 6966 1 14 . 1 1 10 10 THR HA H 10 4.116 4.116 4.131 -0.015 17857 6967 1 14 . 1 1 10 10 THR C C 10 175.942 175.942 176.304 -0.362 17857 6968 1 14 . 1 1 10 10 THR CA C 10 67.521 67.521 66.723 0.798 17857 6969 1 14 . 1 1 10 10 THR CB C 10 67.933 67.933 68.895 -0.962 17857 6970 1 14 . 1 1 10 10 THR H H 10 8.417 8.417 7.923 0.494 17857 6971 1 14 . 1 1 11 11 LEU N N 11 121.715 121.715 122.974 -1.259 17857 6972 1 14 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.289 -0.222 17857 6973 1 14 . 1 1 11 11 LEU C C 11 181.784 181.784 179.056 2.728 17857 6974 1 14 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.498 1.946 17857 6975 1 14 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.126 -0.133 17857 6976 1 14 . 1 1 11 11 LEU H H 11 8.324 8.324 7.600 0.724 17857 6977 1 14 . 1 1 12 12 ILE N N 12 121.081 121.081 119.883 1.198 17857 6978 1 14 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.870 -0.306 17857 6979 1 14 . 1 1 12 12 ILE C C 12 176.221 176.221 177.641 -1.420 17857 6980 1 14 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.066 2.112 17857 6981 1 14 . 1 1 12 12 ILE CB C 12 38.395 38.395 36.916 1.479 17857 6982 1 14 . 1 1 12 12 ILE H H 12 8.419 8.419 8.504 -0.085 17857 6983 1 14 . 1 1 13 13 ASN N N 13 120.254 120.254 118.875 1.379 17857 6984 1 14 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.521 -0.151 17857 6985 1 14 . 1 1 13 13 ASN C C 13 179.124 179.124 177.881 1.243 17857 6986 1 14 . 1 1 13 13 ASN CA C 13 56.615 56.615 55.998 0.617 17857 6987 1 14 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.344 -0.189 17857 6988 1 14 . 1 1 13 13 ASN H H 13 8.593 8.593 8.006 0.587 17857 6989 1 14 . 1 1 14 14 VAL N N 14 121.599 121.599 119.259 2.340 17857 6990 1 14 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.367 0.489 17857 6991 1 14 . 1 1 14 14 VAL C C 14 177.155 177.155 177.207 -0.052 17857 6992 1 14 . 1 1 14 14 VAL CA C 14 66.705 66.705 66.161 0.544 17857 6993 1 14 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.828 0.056 17857 6994 1 14 . 1 1 14 14 VAL H H 14 8.838 8.838 7.443 1.395 17857 6995 1 14 . 1 1 15 15 PHE N N 15 120.139 120.139 121.756 -1.617 17857 6996 1 14 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.769 -0.170 17857 6997 1 14 . 1 1 15 15 PHE C C 15 177.601 177.601 176.679 0.922 17857 6998 1 14 . 1 1 15 15 PHE CA C 15 62.399 62.399 61.899 0.500 17857 6999 1 14 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.073 0.559 17857 7000 1 14 . 1 1 15 15 PHE H H 15 7.456 7.456 8.344 -0.888 17857 7001 1 14 . 1 1 16 16 HIS N N 16 118.175 118.175 116.673 1.502 17857 7002 1 14 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.442 0.701 17857 7003 1 14 . 1 1 16 16 HIS C C 16 177.972 177.972 177.039 0.933 17857 7004 1 14 . 1 1 16 16 HIS CA C 16 55.795 55.795 56.606 -0.811 17857 7005 1 14 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.586 1.741 17857 7006 1 14 . 1 1 16 16 HIS H H 16 9.137 9.137 8.006 1.131 17857 7007 1 14 . 1 1 17 17 ALA N N 17 121.734 121.734 122.943 -1.209 17857 7008 1 14 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.028 -0.208 17857 7009 1 14 . 1 1 17 17 ALA C C 17 178.713 178.713 178.771 -0.058 17857 7010 1 14 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.556 0.061 17857 7011 1 14 . 1 1 17 17 ALA CB C 17 17.700 17.700 17.997 -0.297 17857 7012 1 14 . 1 1 17 17 ALA H H 17 8.133 8.133 6.838 1.295 17857 7013 1 14 . 1 1 18 18 HIS N N 18 113.408 113.408 115.666 -2.258 17857 7014 1 14 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.545 -0.225 17857 7015 1 14 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.592 0.245 17857 7016 1 14 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.179 2.469 17857 7017 1 14 . 1 1 18 18 HIS H H 18 7.286 7.286 7.588 -0.302 17857 7018 1 14 . 1 1 19 19 SER N N 19 120.877 120.877 116.372 4.505 17857 7019 1 14 . 1 1 19 19 SER HA H 19 4.124 4.124 4.095 0.029 17857 7020 1 14 . 1 1 19 19 SER C C 19 176.676 176.676 176.609 0.067 17857 7021 1 14 . 1 1 19 19 SER CA C 19 60.979 60.979 60.916 0.063 17857 7022 1 14 . 1 1 19 19 SER CB C 19 61.813 61.813 63.031 -1.218 17857 7023 1 14 . 1 1 19 19 SER H H 19 9.322 9.322 7.560 1.762 17857 7024 1 14 . 1 1 20 20 GLY N N 20 107.206 107.206 109.329 -2.123 17857 7025 1 14 . 1 1 20 20 GLY C C 20 174.913 174.913 175.020 -0.107 17857 7026 1 14 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.801 -0.520 17857 7027 1 14 . 1 1 20 20 GLY H H 20 8.233 8.233 7.975 0.258 17857 7028 1 14 . 1 1 21 21 LYS N N 21 118.717 118.717 121.202 -2.485 17857 7029 1 14 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.225 -0.184 17857 7030 1 14 . 1 1 21 21 LYS C C 21 176.623 176.623 177.004 -0.381 17857 7031 1 14 . 1 1 21 21 LYS CA C 21 58.185 58.185 57.865 0.320 17857 7032 1 14 . 1 1 21 21 LYS CB C 21 33.157 33.157 32.744 0.413 17857 7033 1 14 . 1 1 21 21 LYS H H 21 7.333 7.333 7.458 -0.125 17857 7034 1 14 . 1 1 22 22 GLU N N 22 116.257 116.257 118.265 -2.008 17857 7035 1 14 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.394 0.047 17857 7036 1 14 . 1 1 22 22 GLU C C 22 175.554 175.554 176.620 -1.066 17857 7037 1 14 . 1 1 22 22 GLU CA C 22 55.488 55.488 56.139 -0.651 17857 7038 1 14 . 1 1 22 22 GLU CB C 22 31.892 31.892 30.954 0.938 17857 7039 1 14 . 1 1 22 22 GLU H H 22 7.603 7.603 8.361 -0.758 17857 7040 1 14 . 1 1 23 23 GLY N N 23 108.614 108.614 110.168 -1.554 17857 7041 1 14 . 1 1 23 23 GLY C C 23 173.976 173.976 174.326 -0.350 17857 7042 1 14 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.587 1.437 17857 7043 1 14 . 1 1 23 23 GLY H H 23 8.261 8.261 8.417 -0.156 17857 7044 1 14 . 1 1 24 24 ASP N N 24 124.252 124.252 122.308 1.944 17857 7045 1 14 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.545 0.014 17857 7046 1 14 . 1 1 24 24 ASP C C 24 177.376 177.376 175.854 1.522 17857 7047 1 14 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.755 -0.931 17857 7048 1 14 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.191 1.501 17857 7049 1 14 . 1 1 24 24 ASP H H 24 8.313 8.313 8.576 -0.263 17857 7050 1 14 . 1 1 25 25 LYS N N 25 125.006 125.006 116.642 8.364 17857 7051 1 14 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.249 -0.112 17857 7052 1 14 . 1 1 25 25 LYS C C 25 175.980 175.980 175.967 0.013 17857 7053 1 14 . 1 1 25 25 LYS CA C 25 57.436 57.436 56.692 0.744 17857 7054 1 14 . 1 1 25 25 LYS CB C 25 32.345 32.345 34.240 -1.895 17857 7055 1 14 . 1 1 25 25 LYS H H 25 8.327 8.327 8.136 0.191 17857 7056 1 14 . 1 1 26 26 TYR N N 26 117.300 117.300 117.150 0.150 17857 7057 1 14 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.640 0.446 17857 7058 1 14 . 1 1 26 26 TYR C C 26 175.592 175.592 175.351 0.241 17857 7059 1 14 . 1 1 26 26 TYR CA C 26 57.552 57.552 58.070 -0.518 17857 7060 1 14 . 1 1 26 26 TYR CB C 26 38.052 38.052 39.624 -1.572 17857 7061 1 14 . 1 1 26 26 TYR H H 26 8.490 8.490 8.017 0.473 17857 7062 1 14 . 1 1 27 27 LYS N N 27 117.820 117.820 118.767 -0.947 17857 7063 1 14 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.780 0.723 17857 7064 1 14 . 1 1 27 27 LYS C C 27 174.259 174.259 174.868 -0.609 17857 7065 1 14 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.888 -0.794 17857 7066 1 14 . 1 1 27 27 LYS CB C 27 37.626 37.626 35.778 1.848 17857 7067 1 14 . 1 1 27 27 LYS H H 27 7.793 7.793 7.553 0.240 17857 7068 1 14 . 1 1 28 28 LEU N N 28 120.282 120.282 121.998 -1.716 17857 7069 1 14 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.594 0.154 17857 7070 1 14 . 1 1 28 28 LEU C C 28 176.038 176.038 175.104 0.934 17857 7071 1 14 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.709 -0.667 17857 7072 1 14 . 1 1 28 28 LEU CB C 28 46.382 46.382 45.824 0.558 17857 7073 1 14 . 1 1 28 28 LEU H H 28 8.692 8.692 8.578 0.114 17857 7074 1 14 . 1 1 29 29 SER N N 29 119.669 119.669 116.169 3.500 17857 7075 1 14 . 1 1 29 29 SER HA H 29 5.121 5.121 4.699 0.422 17857 7076 1 14 . 1 1 29 29 SER C C 29 175.936 175.936 175.547 0.389 17857 7077 1 14 . 1 1 29 29 SER CA C 29 57.760 57.760 56.319 1.441 17857 7078 1 14 . 1 1 29 29 SER CB C 29 64.689 64.689 64.867 -0.178 17857 7079 1 14 . 1 1 29 29 SER H H 29 8.797 8.797 8.574 0.223 17857 7080 1 14 . 1 1 30 30 LYS N N 30 124.194 124.194 122.906 1.288 17857 7081 1 14 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.114 -0.253 17857 7082 1 14 . 1 1 30 30 LYS C C 30 178.523 178.523 179.076 -0.553 17857 7083 1 14 . 1 1 30 30 LYS CA C 30 61.591 61.591 59.591 2.000 17857 7084 1 14 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.543 -0.539 17857 7085 1 14 . 1 1 30 30 LYS H H 30 8.842 8.842 8.805 0.037 17857 7086 1 14 . 1 1 31 31 LYS N N 31 119.922 119.922 119.445 0.477 17857 7087 1 14 . 1 1 31 31 LYS HA H 31 4.157 4.157 4.037 0.120 17857 7088 1 14 . 1 1 31 31 LYS C C 31 179.293 179.293 178.434 0.859 17857 7089 1 14 . 1 1 31 31 LYS CA C 31 59.426 59.426 58.878 0.548 17857 7090 1 14 . 1 1 31 31 LYS CB C 31 32.586 32.586 31.846 0.739 17857 7091 1 14 . 1 1 31 31 LYS H H 31 8.786 8.786 8.281 0.505 17857 7092 1 14 . 1 1 32 32 GLN N N 32 119.859 119.859 117.919 1.940 17857 7093 1 14 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.081 0.036 17857 7094 1 14 . 1 1 32 32 GLN C C 32 179.272 179.272 177.853 1.419 17857 7095 1 14 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.509 -0.331 17857 7096 1 14 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.679 0.141 17857 7097 1 14 . 1 1 32 32 GLN H H 32 7.769 7.769 7.514 0.255 17857 7098 1 14 . 1 1 33 33 LEU N N 33 122.146 122.146 121.436 0.710 17857 7099 1 14 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.879 0.166 17857 7100 1 14 . 1 1 33 33 LEU C C 33 177.408 177.408 178.752 -1.344 17857 7101 1 14 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.332 -0.997 17857 7102 1 14 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.567 -1.020 17857 7103 1 14 . 1 1 33 33 LEU H H 33 8.918 8.918 7.385 1.533 17857 7104 1 14 . 1 1 34 34 LYS N N 34 120.726 120.726 116.049 4.677 17857 7105 1 14 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.931 -0.305 17857 7106 1 14 . 1 1 34 34 LYS C C 34 177.675 177.675 179.063 -1.388 17857 7107 1 14 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.458 1.527 17857 7108 1 14 . 1 1 34 34 LYS CB C 34 32.000 32.000 31.924 0.076 17857 7109 1 14 . 1 1 34 34 LYS H H 34 8.423 8.423 7.737 0.686 17857 7110 1 14 . 1 1 35 35 GLU N N 35 116.999 116.999 119.222 -2.223 17857 7111 1 14 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.100 -0.030 17857 7112 1 14 . 1 1 35 35 GLU C C 35 179.003 179.003 178.647 0.356 17857 7113 1 14 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.039 0.463 17857 7114 1 14 . 1 1 35 35 GLU CB C 35 29.395 29.395 30.015 -0.620 17857 7115 1 14 . 1 1 35 35 GLU H H 35 7.186 7.186 7.603 -0.417 17857 7116 1 14 . 1 1 36 36 LEU N N 36 122.908 122.908 119.726 3.182 17857 7117 1 14 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.009 -0.296 17857 7118 1 14 . 1 1 36 36 LEU C C 36 178.810 178.810 178.726 0.084 17857 7119 1 14 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.175 1.258 17857 7120 1 14 . 1 1 36 36 LEU CB C 36 42.303 42.303 40.882 1.421 17857 7121 1 14 . 1 1 36 36 LEU H H 36 8.141 8.141 8.368 -0.227 17857 7122 1 14 . 1 1 37 37 LEU N N 37 119.746 119.746 119.520 0.226 17857 7123 1 14 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.799 -0.110 17857 7124 1 14 . 1 1 37 37 LEU C C 37 178.128 178.128 179.276 -1.148 17857 7125 1 14 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.531 -0.115 17857 7126 1 14 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.276 0.247 17857 7127 1 14 . 1 1 37 37 LEU H H 37 8.772 8.772 8.760 0.012 17857 7128 1 14 . 1 1 38 38 GLN N N 38 113.312 113.312 117.318 -4.006 17857 7129 1 14 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.114 -0.347 17857 7130 1 14 . 1 1 38 38 GLN C C 38 177.536 177.536 178.116 -0.580 17857 7131 1 14 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.563 0.223 17857 7132 1 14 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.642 0.372 17857 7133 1 14 . 1 1 38 38 GLN H H 38 8.082 8.082 8.067 0.015 17857 7134 1 14 . 1 1 39 39 THR N N 39 109.779 109.779 114.224 -4.445 17857 7135 1 14 . 1 1 39 39 THR HA H 39 4.312 4.312 4.051 0.261 17857 7136 1 14 . 1 1 39 39 THR C C 39 176.802 176.802 175.820 0.982 17857 7137 1 14 . 1 1 39 39 THR CA C 39 64.576 64.576 65.617 -1.041 17857 7138 1 14 . 1 1 39 39 THR CB C 39 69.847 69.847 68.695 1.152 17857 7139 1 14 . 1 1 39 39 THR H H 39 7.683 7.683 7.799 -0.116 17857 7140 1 14 . 1 1 40 40 GLU N N 40 118.440 118.440 119.146 -0.706 17857 7141 1 14 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.352 0.364 17857 7142 1 14 . 1 1 40 40 GLU C C 40 177.106 177.106 177.883 -0.777 17857 7143 1 14 . 1 1 40 40 GLU CA C 40 56.922 56.922 58.135 -1.213 17857 7144 1 14 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.390 -0.128 17857 7145 1 14 . 1 1 40 40 GLU H H 40 8.971 8.971 8.530 0.441 17857 7146 1 14 . 1 1 41 41 LEU N N 41 119.219 119.219 119.307 -0.088 17857 7147 1 14 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.425 0.703 17857 7148 1 14 . 1 1 41 41 LEU C C 41 177.669 177.669 177.753 -0.084 17857 7149 1 14 . 1 1 41 41 LEU CA C 41 53.300 53.300 55.535 -2.235 17857 7150 1 14 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.938 -0.730 17857 7151 1 14 . 1 1 41 41 LEU H H 41 7.733 7.733 8.113 -0.380 17857 7152 1 14 . 1 1 42 42 SER N N 42 112.897 112.897 112.216 0.681 17857 7153 1 14 . 1 1 42 42 SER HA H 42 3.880 3.880 4.187 -0.307 17857 7154 1 14 . 1 1 42 42 SER C C 42 176.429 176.429 174.020 2.409 17857 7155 1 14 . 1 1 42 42 SER CA C 42 61.867 61.867 59.640 2.227 17857 7156 1 14 . 1 1 42 42 SER CB C 42 62.864 62.864 62.201 0.663 17857 7157 1 14 . 1 1 42 42 SER H H 42 6.915 6.915 8.407 -1.492 17857 7158 1 14 . 1 1 43 43 GLY N N 43 114.357 114.357 106.799 7.558 17857 7159 1 14 . 1 1 43 43 GLY C C 43 178.051 178.051 174.953 3.098 17857 7160 1 14 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.160 1.684 17857 7161 1 14 . 1 1 43 43 GLY H H 43 9.244 9.244 8.260 0.984 17857 7162 1 14 . 1 1 44 44 PHE N N 44 124.297 124.297 119.600 4.697 17857 7163 1 14 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.278 0.315 17857 7164 1 14 . 1 1 44 44 PHE C C 44 178.168 178.168 177.840 0.328 17857 7165 1 14 . 1 1 44 44 PHE CA C 44 57.510 57.510 60.167 -2.657 17857 7166 1 14 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.781 -2.638 17857 7167 1 14 . 1 1 44 44 PHE H H 44 8.273 8.273 7.965 0.308 17857 7168 1 14 . 1 1 45 45 LEU N N 45 116.097 116.097 114.516 1.581 17857 7169 1 14 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.251 -0.075 17857 7170 1 14 . 1 1 45 45 LEU C C 45 179.069 179.069 177.750 1.319 17857 7171 1 14 . 1 1 45 45 LEU CA C 45 57.580 57.580 57.074 0.506 17857 7172 1 14 . 1 1 45 45 LEU CB C 45 41.377 41.377 41.066 0.311 17857 7173 1 14 . 1 1 45 45 LEU H H 45 8.559 8.559 8.266 0.293 17857 7174 1 14 . 1 1 46 46 ASP N N 46 119.849 119.849 120.839 -0.990 17857 7175 1 14 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.584 0.129 17857 7176 1 14 . 1 1 46 46 ASP C C 46 176.152 176.152 176.088 0.064 17857 7177 1 14 . 1 1 46 46 ASP CA C 46 55.845 55.845 55.908 -0.063 17857 7178 1 14 . 1 1 46 46 ASP CB C 46 41.640 41.640 40.670 0.970 17857 7179 1 14 . 1 1 46 46 ASP H H 46 7.707 7.707 7.708 -0.001 17857 7180 1 14 . 1 1 47 47 ALA N N 47 124.027 124.027 120.890 3.137 17857 7181 1 14 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.622 -0.014 17857 7182 1 14 . 1 1 47 47 ALA C C 47 176.271 176.271 175.642 0.629 17857 7183 1 14 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.056 -1.335 17857 7184 1 14 . 1 1 47 47 ALA CB C 47 18.985 18.985 19.386 -0.401 17857 7185 1 14 . 1 1 47 47 ALA H H 47 7.710 7.710 7.605 0.105 17857 7186 1 14 . 1 1 48 48 GLN N N 48 117.138 117.138 118.781 -1.643 17857 7187 1 14 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.258 -0.143 17857 7188 1 14 . 1 1 48 48 GLN C C 48 175.907 175.907 176.014 -0.107 17857 7189 1 14 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.889 1.185 17857 7190 1 14 . 1 1 48 48 GLN CB C 48 30.504 30.504 28.994 1.510 17857 7191 1 14 . 1 1 48 48 GLN H H 48 7.562 7.562 7.885 -0.323 17857 7192 1 14 . 1 1 49 49 LYS N N 49 121.265 121.265 124.138 -2.873 17857 7193 1 14 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.344 -0.195 17857 7194 1 14 . 1 1 49 49 LYS C C 49 176.157 176.157 176.862 -0.705 17857 7195 1 14 . 1 1 49 49 LYS CA C 49 56.337 56.337 57.136 -0.798 17857 7196 1 14 . 1 1 49 49 LYS CB C 49 31.231 31.231 33.084 -1.853 17857 7197 1 14 . 1 1 49 49 LYS H H 49 7.974 7.974 8.737 -0.763 17857 7198 1 14 . 1 1 50 50 ASP N N 50 119.019 119.019 120.964 -1.945 17857 7199 1 14 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.625 0.057 17857 7200 1 14 . 1 1 50 50 ASP C C 50 175.466 175.466 176.507 -1.041 17857 7201 1 14 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.338 -2.528 17857 7202 1 14 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.197 -1.242 17857 7203 1 14 . 1 1 50 50 ASP H H 50 7.523 7.523 7.770 -0.247 17857 7204 1 14 . 1 1 51 51 VAL N N 51 121.906 121.906 122.870 -0.964 17857 7205 1 14 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.071 -0.210 17857 7206 1 14 . 1 1 51 51 VAL C C 51 178.158 178.158 176.308 1.850 17857 7207 1 14 . 1 1 51 51 VAL CA C 51 64.804 64.804 64.041 0.763 17857 7208 1 14 . 1 1 51 51 VAL CB C 51 31.831 31.831 33.195 -1.364 17857 7209 1 14 . 1 1 51 51 VAL H H 51 7.618 7.618 8.403 -0.785 17857 7210 1 14 . 1 1 52 52 ASP N N 52 119.692 119.692 120.309 -0.617 17857 7211 1 14 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.301 0.058 17857 7212 1 14 . 1 1 52 52 ASP C C 52 178.427 178.427 177.350 1.077 17857 7213 1 14 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.437 -0.078 17857 7214 1 14 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.358 1.563 17857 7215 1 14 . 1 1 52 52 ASP H H 52 8.081 8.081 8.798 -0.717 17857 7216 1 14 . 1 1 53 53 ALA N N 53 122.046 122.046 123.227 -1.181 17857 7217 1 14 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.040 -0.020 17857 7218 1 14 . 1 1 53 53 ALA C C 53 180.602 180.602 179.212 1.390 17857 7219 1 14 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.681 0.049 17857 7220 1 14 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.344 0.523 17857 7221 1 14 . 1 1 53 53 ALA H H 53 7.538 7.538 8.212 -0.674 17857 7222 1 14 . 1 1 54 54 VAL N N 54 117.817 117.817 117.113 0.704 17857 7223 1 14 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.696 -0.346 17857 7224 1 14 . 1 1 54 54 VAL C C 54 177.718 177.718 177.838 -0.120 17857 7225 1 14 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.835 0.832 17857 7226 1 14 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.377 0.338 17857 7227 1 14 . 1 1 54 54 VAL H H 54 7.286 7.286 7.735 -0.449 17857 7228 1 14 . 1 1 55 55 ASP N N 55 119.601 119.601 120.487 -0.886 17857 7229 1 14 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.452 -0.165 17857 7230 1 14 . 1 1 55 55 ASP C C 55 178.508 178.508 178.387 0.121 17857 7231 1 14 . 1 1 55 55 ASP CA C 55 57.618 57.618 57.036 0.582 17857 7232 1 14 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.819 0.408 17857 7233 1 14 . 1 1 55 55 ASP H H 55 8.456 8.456 7.823 0.633 17857 7234 1 14 . 1 1 56 56 LYS N N 56 117.890 117.890 120.785 -2.895 17857 7235 1 14 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.909 0.026 17857 7236 1 14 . 1 1 56 56 LYS C C 56 179.509 179.509 178.781 0.728 17857 7237 1 14 . 1 1 56 56 LYS CA C 56 59.889 59.889 60.103 -0.214 17857 7238 1 14 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.437 0.083 17857 7239 1 14 . 1 1 56 56 LYS H H 56 7.921 7.921 8.187 -0.266 17857 7240 1 14 . 1 1 57 57 VAL N N 57 119.196 119.196 118.825 0.371 17857 7241 1 14 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.640 0.082 17857 7242 1 14 . 1 1 57 57 VAL C C 57 177.928 177.928 177.655 0.273 17857 7243 1 14 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.782 0.436 17857 7244 1 14 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.887 0.444 17857 7245 1 14 . 1 1 57 57 VAL H H 57 7.292 7.292 7.687 -0.395 17857 7246 1 14 . 1 1 58 58 MET N N 58 115.902 115.902 118.243 -2.341 17857 7247 1 14 . 1 1 58 58 MET HA H 58 4.128 4.128 4.159 -0.031 17857 7248 1 14 . 1 1 58 58 MET C C 58 178.952 178.952 177.832 1.120 17857 7249 1 14 . 1 1 58 58 MET CA C 58 57.582 57.582 57.742 -0.160 17857 7250 1 14 . 1 1 58 58 MET CB C 58 31.511 31.511 32.431 -0.919 17857 7251 1 14 . 1 1 58 58 MET H H 58 8.313 8.313 7.560 0.753 17857 7252 1 14 . 1 1 59 59 LYS N N 59 118.845 118.845 120.130 -1.285 17857 7253 1 14 . 1 1 59 59 LYS HA H 59 4.072 4.072 4.018 0.054 17857 7254 1 14 . 1 1 59 59 LYS C C 59 179.149 179.149 179.235 -0.086 17857 7255 1 14 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.361 -0.201 17857 7256 1 14 . 1 1 59 59 LYS CB C 59 32.545 32.545 31.741 0.804 17857 7257 1 14 . 1 1 59 59 LYS H H 59 8.563 8.563 8.491 0.072 17857 7258 1 14 . 1 1 60 60 GLU N N 60 119.868 119.868 118.723 1.145 17857 7259 1 14 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.075 -0.043 17857 7260 1 14 . 1 1 60 60 GLU C C 60 179.083 179.083 179.178 -0.095 17857 7261 1 14 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.398 0.368 17857 7262 1 14 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.447 -0.690 17857 7263 1 14 . 1 1 60 60 GLU H H 60 7.467 7.467 8.130 -0.663 17857 7264 1 14 . 1 1 61 61 LEU N N 61 116.866 116.866 118.847 -1.981 17857 7265 1 14 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.047 -0.080 17857 7266 1 14 . 1 1 61 61 LEU C C 61 177.870 177.870 178.952 -1.082 17857 7267 1 14 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.324 -0.073 17857 7268 1 14 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.684 -0.914 17857 7269 1 14 . 1 1 61 61 LEU H H 61 7.597 7.597 7.297 0.300 17857 7270 1 14 . 1 1 62 62 ASP N N 62 115.773 115.773 119.810 -4.037 17857 7271 1 14 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.412 0.075 17857 7272 1 14 . 1 1 62 62 ASP C C 62 178.871 178.871 179.013 -0.142 17857 7273 1 14 . 1 1 62 62 ASP CA C 62 56.121 56.121 57.043 -0.922 17857 7274 1 14 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.204 1.622 17857 7275 1 14 . 1 1 62 62 ASP H H 62 7.509 7.509 7.702 -0.193 17857 7276 1 14 . 1 1 63 63 GLU N N 63 119.120 119.120 118.787 0.333 17857 7277 1 14 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.082 0.049 17857 7278 1 14 . 1 1 63 63 GLU C C 63 176.937 176.937 178.057 -1.120 17857 7279 1 14 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.575 -0.522 17857 7280 1 14 . 1 1 63 63 GLU CB C 63 30.119 30.119 29.818 0.301 17857 7281 1 14 . 1 1 63 63 GLU H H 63 8.068 8.068 8.437 -0.369 17857 7282 1 14 . 1 1 64 64 ASN N N 64 117.779 117.779 116.374 1.405 17857 7283 1 14 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.722 0.400 17857 7284 1 14 . 1 1 64 64 ASN C C 64 176.299 176.299 176.711 -0.412 17857 7285 1 14 . 1 1 64 64 ASN CA C 64 52.221 52.221 53.782 -1.560 17857 7286 1 14 . 1 1 64 64 ASN CB C 64 38.943 38.943 39.428 -0.485 17857 7287 1 14 . 1 1 64 64 ASN H H 64 7.719 7.719 7.570 0.149 17857 7288 1 14 . 1 1 65 65 GLY N N 65 106.860 106.860 109.574 -2.714 17857 7289 1 14 . 1 1 65 65 GLY C C 65 174.113 174.113 172.706 1.407 17857 7290 1 14 . 1 1 65 65 GLY CA C 65 47.965 47.965 46.331 1.634 17857 7291 1 14 . 1 1 65 65 GLY H H 65 7.705 7.705 8.448 -0.743 17857 7292 1 14 . 1 1 66 66 ASP N N 66 115.761 115.761 118.834 -3.073 17857 7293 1 14 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.793 0.044 17857 7294 1 14 . 1 1 66 66 ASP C C 66 177.865 177.865 174.670 3.195 17857 7295 1 14 . 1 1 66 66 ASP CA C 66 54.199 54.199 53.803 0.396 17857 7296 1 14 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.910 -1.126 17857 7297 1 14 . 1 1 66 66 ASP H H 66 8.266 8.266 7.662 0.604 17857 7298 1 14 . 1 1 67 67 GLY N N 67 109.034 109.034 110.392 -1.358 17857 7299 1 14 . 1 1 67 67 GLY C C 67 172.364 172.364 172.609 -0.245 17857 7300 1 14 . 1 1 67 67 GLY CA C 67 45.136 45.136 44.938 0.198 17857 7301 1 14 . 1 1 67 67 GLY H H 67 8.237 8.237 8.127 0.110 17857 7302 1 14 . 1 1 68 68 GLU N N 68 117.964 117.964 119.420 -1.456 17857 7303 1 14 . 1 1 68 68 GLU HA H 68 5.169 5.169 4.659 0.510 17857 7304 1 14 . 1 1 68 68 GLU C C 68 176.201 176.201 176.376 -0.175 17857 7305 1 14 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.895 -0.567 17857 7306 1 14 . 1 1 68 68 GLU CB C 68 33.900 33.900 31.002 2.898 17857 7307 1 14 . 1 1 68 68 GLU H H 68 8.415 8.415 8.359 0.056 17857 7308 1 14 . 1 1 69 69 VAL N N 69 116.232 116.232 116.708 -0.476 17857 7309 1 14 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.597 0.304 17857 7310 1 14 . 1 1 69 69 VAL C C 69 174.378 174.378 174.337 0.041 17857 7311 1 14 . 1 1 69 69 VAL CA C 69 59.551 59.551 60.216 -0.665 17857 7312 1 14 . 1 1 69 69 VAL CB C 69 35.098 35.098 34.906 0.192 17857 7313 1 14 . 1 1 69 69 VAL H H 69 9.134 9.134 8.321 0.813 17857 7314 1 14 . 1 1 70 70 ASP N N 70 121.337 121.337 121.499 -0.162 17857 7315 1 14 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.836 0.695 17857 7316 1 14 . 1 1 70 70 ASP C C 70 176.081 176.081 176.919 -0.838 17857 7317 1 14 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.152 -0.837 17857 7318 1 14 . 1 1 70 70 ASP CB C 70 42.873 42.873 43.452 -0.579 17857 7319 1 14 . 1 1 70 70 ASP H H 70 8.233 8.233 8.345 -0.112 17857 7320 1 14 . 1 1 71 71 PHE N N 71 119.131 119.131 120.056 -0.925 17857 7321 1 14 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.854 -0.405 17857 7322 1 14 . 1 1 71 71 PHE C C 71 176.693 176.693 176.798 -0.105 17857 7323 1 14 . 1 1 71 71 PHE CA C 71 61.576 61.576 61.885 -0.308 17857 7324 1 14 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.485 0.983 17857 7325 1 14 . 1 1 71 71 PHE H H 71 9.370 9.370 8.479 0.891 17857 7326 1 14 . 1 1 72 72 GLN N N 72 116.462 116.462 117.455 -0.993 17857 7327 1 14 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.749 -0.311 17857 7328 1 14 . 1 1 72 72 GLN C C 72 177.396 177.396 177.970 -0.574 17857 7329 1 14 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.450 1.317 17857 7330 1 14 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.171 0.612 17857 7331 1 14 . 1 1 72 72 GLN H H 72 8.096 8.096 8.087 0.009 17857 7332 1 14 . 1 1 73 73 GLU N N 73 119.541 119.541 118.094 1.447 17857 7333 1 14 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.153 -0.166 17857 7334 1 14 . 1 1 73 73 GLU C C 73 178.861 178.861 178.398 0.463 17857 7335 1 14 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.817 0.462 17857 7336 1 14 . 1 1 73 73 GLU CB C 73 30.306 30.306 28.778 1.528 17857 7337 1 14 . 1 1 73 73 GLU H H 73 8.139 8.139 8.778 -0.639 17857 7338 1 14 . 1 1 74 74 TYR N N 74 122.065 122.065 120.928 1.137 17857 7339 1 14 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.372 -0.050 17857 7340 1 14 . 1 1 74 74 TYR C C 74 175.562 175.562 176.947 -1.385 17857 7341 1 14 . 1 1 74 74 TYR CA C 74 60.327 60.327 60.928 -0.601 17857 7342 1 14 . 1 1 74 74 TYR CB C 74 36.867 36.867 39.200 -2.333 17857 7343 1 14 . 1 1 74 74 TYR H H 74 8.157 8.157 7.836 0.321 17857 7344 1 14 . 1 1 75 75 VAL N N 75 119.872 119.872 117.355 2.517 17857 7345 1 14 . 1 1 75 75 VAL HA H 75 2.670 2.670 2.806 -0.136 17857 7346 1 14 . 1 1 75 75 VAL C C 75 177.425 177.425 177.572 -0.147 17857 7347 1 14 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.735 1.266 17857 7348 1 14 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.835 -0.134 17857 7349 1 14 . 1 1 75 75 VAL H H 75 7.915 7.915 8.154 -0.239 17857 7350 1 14 . 1 1 76 76 VAL N N 76 119.169 119.169 119.439 -0.270 17857 7351 1 14 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.515 -0.165 17857 7352 1 14 . 1 1 76 76 VAL C C 76 178.933 178.933 177.526 1.407 17857 7353 1 14 . 1 1 76 76 VAL CA C 76 66.800 66.800 66.294 0.506 17857 7354 1 14 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.814 -0.214 17857 7355 1 14 . 1 1 76 76 VAL H H 76 7.545 7.545 7.311 0.234 17857 7356 1 14 . 1 1 77 77 LEU N N 77 121.356 121.356 118.334 3.022 17857 7357 1 14 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.823 0.356 17857 7358 1 14 . 1 1 77 77 LEU C C 77 179.226 179.226 178.906 0.320 17857 7359 1 14 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.695 0.578 17857 7360 1 14 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.413 0.579 17857 7361 1 14 . 1 1 77 77 LEU H H 77 7.789 7.789 7.144 0.645 17857 7362 1 14 . 1 1 78 78 VAL N N 78 119.358 119.358 117.245 2.113 17857 7363 1 14 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.640 -0.187 17857 7364 1 14 . 1 1 78 78 VAL C C 78 180.653 180.653 177.189 3.464 17857 7365 1 14 . 1 1 78 78 VAL CA C 78 67.253 67.253 65.925 1.328 17857 7366 1 14 . 1 1 78 78 VAL CB C 78 31.392 31.392 31.069 0.323 17857 7367 1 14 . 1 1 78 78 VAL H H 78 8.350 8.350 7.519 0.831 17857 7368 1 14 . 1 1 79 79 ALA N N 79 125.018 125.018 120.721 4.297 17857 7369 1 14 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.094 -0.056 17857 7370 1 14 . 1 1 79 79 ALA C C 79 178.321 178.321 178.666 -0.345 17857 7371 1 14 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.712 2.369 17857 7372 1 14 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.393 -0.104 17857 7373 1 14 . 1 1 79 79 ALA H H 79 9.009 9.009 7.129 1.880 17857 7374 1 14 . 1 1 80 80 ALA N N 80 121.933 121.933 123.346 -1.413 17857 7375 1 14 . 1 1 80 80 ALA HA H 80 4.003 4.003 3.981 0.022 17857 7376 1 14 . 1 1 80 80 ALA C C 80 181.548 181.548 179.234 2.314 17857 7377 1 14 . 1 1 80 80 ALA CA C 80 55.419 55.419 55.099 0.320 17857 7378 1 14 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.088 -0.419 17857 7379 1 14 . 1 1 80 80 ALA H H 80 8.311 8.311 7.644 0.667 17857 7380 1 14 . 1 1 81 81 LEU N N 81 117.563 117.563 114.495 3.068 17857 7381 1 14 . 1 1 81 81 LEU HA H 81 4.033 4.033 4.024 0.009 17857 7382 1 14 . 1 1 81 81 LEU C C 81 178.536 178.536 178.334 0.202 17857 7383 1 14 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.319 0.344 17857 7384 1 14 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.330 0.623 17857 7385 1 14 . 1 1 81 81 LEU H H 81 8.056 8.056 7.514 0.542 17857 7386 1 14 . 1 1 82 82 THR N N 82 117.473 117.473 117.267 0.206 17857 7387 1 14 . 1 1 82 82 THR HA H 82 3.669 3.669 3.493 0.176 17857 7388 1 14 . 1 1 82 82 THR C C 82 176.658 176.658 176.184 0.474 17857 7389 1 14 . 1 1 82 82 THR CA C 82 68.836 68.836 66.702 2.134 17857 7390 1 14 . 1 1 82 82 THR CB C 82 67.515 67.515 67.987 -0.472 17857 7391 1 14 . 1 1 82 82 THR H H 82 8.299 8.299 7.316 0.983 17857 7392 1 14 . 1 1 83 83 VAL N N 83 121.111 121.111 120.853 0.258 17857 7393 1 14 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.624 -0.498 17857 7394 1 14 . 1 1 83 83 VAL C C 83 176.323 176.323 177.435 -1.112 17857 7395 1 14 . 1 1 83 83 VAL CA C 83 65.247 65.247 66.345 -1.098 17857 7396 1 14 . 1 1 83 83 VAL CB C 83 31.022 31.022 30.904 0.118 17857 7397 1 14 . 1 1 83 83 VAL H H 83 7.953 7.953 7.784 0.169 17857 7398 1 14 . 1 1 84 84 ALA N N 84 117.068 117.068 121.917 -4.849 17857 7399 1 14 . 1 1 84 84 ALA HA H 84 4.573 4.573 4.031 0.542 17857 7400 1 14 . 1 1 84 84 ALA C C 84 177.919 177.919 178.758 -0.839 17857 7401 1 14 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.984 -0.964 17857 7402 1 14 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.121 2.822 17857 7403 1 14 . 1 1 84 84 ALA H H 84 7.105 7.105 7.507 -0.402 17857 7404 1 14 . 1 1 85 85 CYS N N 85 112.195 112.195 115.625 -3.430 17857 7405 1 14 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.367 0.173 17857 7406 1 14 . 1 1 85 85 CYS C C 85 173.282 173.282 176.600 -3.318 17857 7407 1 14 . 1 1 85 85 CYS CA C 85 60.342 60.342 59.706 0.636 17857 7408 1 14 . 1 1 85 85 CYS CB C 85 32.440 32.440 28.119 4.321 17857 7409 1 14 . 1 1 85 85 CYS H H 85 7.371 7.371 7.447 -0.076 17857 7410 1 14 . 1 1 86 86 ASN N N 86 118.815 118.815 120.940 -2.125 17857 7411 1 14 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.487 0.010 17857 7412 1 14 . 1 1 86 86 ASN CA C 86 54.737 54.737 55.904 -1.167 17857 7413 1 14 . 1 1 86 86 ASN CB C 86 42.130 42.130 38.588 3.542 17857 7414 1 14 . 1 1 86 86 ASN H H 86 8.347 8.347 8.616 -0.269 17857 7415 1 14 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.590 -0.265 17857 7416 1 14 . 1 1 87 87 ASN C C 87 176.216 176.216 174.769 1.447 17857 7417 1 14 . 1 1 87 87 ASN CA C 87 56.570 56.570 54.107 2.463 17857 7418 1 14 . 1 1 87 87 ASN CB C 87 38.479 38.479 36.980 1.499 17857 7419 1 14 . 1 1 88 88 PHE N N 88 120.522 120.522 120.092 0.430 17857 7420 1 14 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.381 -0.284 17857 7421 1 14 . 1 1 88 88 PHE C C 88 176.803 176.803 177.187 -0.384 17857 7422 1 14 . 1 1 88 88 PHE CA C 88 61.023 61.023 61.074 -0.051 17857 7423 1 14 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.385 0.297 17857 7424 1 14 . 1 1 88 88 PHE H H 88 8.642 8.642 8.653 -0.011 17857 7425 1 14 . 1 1 89 89 PHE N N 89 112.727 112.727 117.728 -5.001 17857 7426 1 14 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.703 -0.900 17857 7427 1 14 . 1 1 89 89 PHE C C 89 173.691 173.691 175.645 -1.954 17857 7428 1 14 . 1 1 89 89 PHE CA C 89 59.208 59.208 58.829 0.379 17857 7429 1 14 . 1 1 89 89 PHE CB C 89 39.029 39.029 38.878 0.151 17857 7430 1 14 . 1 1 89 89 PHE H H 89 7.408 7.408 8.315 -0.907 17857 7431 1 14 . 1 1 90 90 TRP N N 90 118.731 118.731 122.113 -3.382 17857 7432 1 14 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.484 0.106 17857 7433 1 14 . 1 1 90 90 TRP C C 90 175.269 175.269 175.571 -0.302 17857 7434 1 14 . 1 1 90 90 TRP CA C 90 56.840 56.840 56.913 -0.073 17857 7435 1 14 . 1 1 90 90 TRP CB C 90 31.400 31.400 27.356 4.044 17857 7436 1 14 . 1 1 90 90 TRP H H 90 7.359 7.359 8.214 -0.855 17857 7437 1 14 . 1 1 91 91 GLU N N 91 121.302 121.302 120.035 1.267 17857 7438 1 14 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.293 0.049 17857 7439 1 14 . 1 1 91 91 GLU C C 91 176.081 176.081 176.325 -0.244 17857 7440 1 14 . 1 1 91 91 GLU CA C 91 56.857 56.857 56.469 0.388 17857 7441 1 14 . 1 1 91 91 GLU CB C 91 30.548 30.548 30.221 0.327 17857 7442 1 14 . 1 1 91 91 GLU H H 91 7.766 7.766 7.993 -0.227 17857 7443 1 14 . 1 1 92 92 ASN N N 92 120.522 120.522 119.972 0.550 17857 7444 1 14 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.810 -0.043 17857 7445 1 14 . 1 1 92 92 ASN C C 92 174.283 174.283 175.174 -0.891 17857 7446 1 14 . 1 1 92 92 ASN CA C 92 53.407 53.407 52.422 0.985 17857 7447 1 14 . 1 1 92 92 ASN CB C 92 39.276 39.276 38.344 0.932 17857 7448 1 14 . 1 1 92 92 ASN H H 92 8.462 8.462 8.189 0.273 17857 7449 1 15 . 1 1 2 2 SER N N 2 118.698 118.698 116.548 2.150 17857 7450 1 15 . 1 1 2 2 SER HA H 2 4.691 4.691 4.664 0.027 17857 7451 1 15 . 1 1 2 2 SER C C 2 175.496 175.496 176.048 -0.552 17857 7452 1 15 . 1 1 2 2 SER CA C 2 57.481 57.481 57.187 0.294 17857 7453 1 15 . 1 1 2 2 SER CB C 2 65.371 65.371 64.733 0.638 17857 7454 1 15 . 1 1 2 2 SER H H 2 9.211 9.211 7.991 1.220 17857 7455 1 15 . 1 1 3 3 GLU N N 3 122.860 122.860 124.879 -2.019 17857 7456 1 15 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.103 0.012 17857 7457 1 15 . 1 1 3 3 GLU C C 3 179.171 179.171 177.984 1.187 17857 7458 1 15 . 1 1 3 3 GLU CA C 3 60.757 60.757 59.370 1.387 17857 7459 1 15 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.349 -0.310 17857 7460 1 15 . 1 1 3 3 GLU H H 3 9.205 9.205 9.014 0.191 17857 7461 1 15 . 1 1 4 4 LEU N N 4 120.718 120.718 119.485 1.233 17857 7462 1 15 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.100 -0.064 17857 7463 1 15 . 1 1 4 4 LEU C C 4 178.360 178.360 178.190 0.170 17857 7464 1 15 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.527 0.384 17857 7465 1 15 . 1 1 4 4 LEU CB C 4 42.362 42.362 42.019 0.343 17857 7466 1 15 . 1 1 4 4 LEU H H 4 8.854 8.854 7.421 1.433 17857 7467 1 15 . 1 1 5 5 GLU N N 5 118.542 118.542 118.378 0.164 17857 7468 1 15 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.961 -0.706 17857 7469 1 15 . 1 1 5 5 GLU C C 5 179.204 179.204 178.939 0.265 17857 7470 1 15 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.635 0.182 17857 7471 1 15 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.449 -0.246 17857 7472 1 15 . 1 1 5 5 GLU H H 5 7.791 7.791 7.635 0.156 17857 7473 1 15 . 1 1 6 6 THR N N 6 115.783 115.783 113.882 1.901 17857 7474 1 15 . 1 1 6 6 THR HA H 6 4.017 4.017 4.091 -0.074 17857 7475 1 15 . 1 1 6 6 THR C C 6 176.807 176.807 175.769 1.038 17857 7476 1 15 . 1 1 6 6 THR CA C 6 66.668 66.668 65.054 1.614 17857 7477 1 15 . 1 1 6 6 THR CB C 6 68.763 68.763 68.822 -0.059 17857 7478 1 15 . 1 1 6 6 THR H H 6 8.371 8.371 7.834 0.537 17857 7479 1 15 . 1 1 7 7 ALA N N 7 125.707 125.707 124.132 1.575 17857 7480 1 15 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.044 0.228 17857 7481 1 15 . 1 1 7 7 ALA C C 7 179.856 179.856 179.428 0.428 17857 7482 1 15 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.183 0.519 17857 7483 1 15 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.276 -0.046 17857 7484 1 15 . 1 1 7 7 ALA H H 7 8.267 8.267 7.539 0.728 17857 7485 1 15 . 1 1 8 8 MET N N 8 115.222 115.222 116.002 -0.780 17857 7486 1 15 . 1 1 8 8 MET HA H 8 4.858 4.858 4.448 0.410 17857 7487 1 15 . 1 1 8 8 MET C C 8 179.635 179.635 178.714 0.921 17857 7488 1 15 . 1 1 8 8 MET CA C 8 56.669 56.669 56.739 -0.070 17857 7489 1 15 . 1 1 8 8 MET CB C 8 29.136 29.136 31.374 -2.238 17857 7490 1 15 . 1 1 8 8 MET H H 8 8.106 8.106 7.682 0.424 17857 7491 1 15 . 1 1 9 9 GLU N N 9 120.456 120.456 119.467 0.989 17857 7492 1 15 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.153 -0.038 17857 7493 1 15 . 1 1 9 9 GLU C C 9 179.531 179.531 179.437 0.094 17857 7494 1 15 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.114 1.517 17857 7495 1 15 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.039 -0.062 17857 7496 1 15 . 1 1 9 9 GLU H H 9 8.658 8.658 7.868 0.790 17857 7497 1 15 . 1 1 10 10 THR N N 10 118.547 118.547 117.152 1.395 17857 7498 1 15 . 1 1 10 10 THR HA H 10 4.116 4.116 4.157 -0.041 17857 7499 1 15 . 1 1 10 10 THR C C 10 175.942 175.942 176.265 -0.323 17857 7500 1 15 . 1 1 10 10 THR CA C 10 67.521 67.521 66.148 1.373 17857 7501 1 15 . 1 1 10 10 THR CB C 10 67.933 67.933 68.993 -1.060 17857 7502 1 15 . 1 1 10 10 THR H H 10 8.417 8.417 8.017 0.400 17857 7503 1 15 . 1 1 11 11 LEU N N 11 121.715 121.715 122.640 -0.925 17857 7504 1 15 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.288 -0.221 17857 7505 1 15 . 1 1 11 11 LEU C C 11 181.784 181.784 179.006 2.778 17857 7506 1 15 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.386 2.057 17857 7507 1 15 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.362 -0.369 17857 7508 1 15 . 1 1 11 11 LEU H H 11 8.324 8.324 7.554 0.770 17857 7509 1 15 . 1 1 12 12 ILE N N 12 121.081 121.081 119.115 1.966 17857 7510 1 15 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.879 -0.315 17857 7511 1 15 . 1 1 12 12 ILE C C 12 176.221 176.221 176.884 -0.663 17857 7512 1 15 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.402 1.776 17857 7513 1 15 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.574 0.821 17857 7514 1 15 . 1 1 12 12 ILE H H 12 8.419 8.419 8.140 0.279 17857 7515 1 15 . 1 1 13 13 ASN N N 13 120.254 120.254 118.749 1.505 17857 7516 1 15 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.567 -0.197 17857 7517 1 15 . 1 1 13 13 ASN C C 13 179.124 179.124 176.845 2.279 17857 7518 1 15 . 1 1 13 13 ASN CA C 13 56.615 56.615 55.965 0.651 17857 7519 1 15 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.205 -0.050 17857 7520 1 15 . 1 1 13 13 ASN H H 13 8.593 8.593 7.895 0.698 17857 7521 1 15 . 1 1 14 14 VAL N N 14 121.599 121.599 117.985 3.614 17857 7522 1 15 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.545 0.311 17857 7523 1 15 . 1 1 14 14 VAL C C 14 177.155 177.155 176.893 0.262 17857 7524 1 15 . 1 1 14 14 VAL CA C 14 66.705 66.705 65.056 1.649 17857 7525 1 15 . 1 1 14 14 VAL CB C 14 31.884 31.884 32.021 -0.137 17857 7526 1 15 . 1 1 14 14 VAL H H 14 8.838 8.838 7.318 1.520 17857 7527 1 15 . 1 1 15 15 PHE N N 15 120.139 120.139 122.298 -2.159 17857 7528 1 15 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.799 -0.200 17857 7529 1 15 . 1 1 15 15 PHE C C 15 177.601 177.601 176.752 0.849 17857 7530 1 15 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.160 0.239 17857 7531 1 15 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.114 0.518 17857 7532 1 15 . 1 1 15 15 PHE H H 15 7.456 7.456 7.513 -0.057 17857 7533 1 15 . 1 1 16 16 HIS N N 16 118.175 118.175 117.787 0.388 17857 7534 1 15 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.395 0.748 17857 7535 1 15 . 1 1 16 16 HIS C C 16 177.972 177.972 176.705 1.267 17857 7536 1 15 . 1 1 16 16 HIS CA C 16 55.795 55.795 57.453 -1.658 17857 7537 1 15 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.519 1.808 17857 7538 1 15 . 1 1 16 16 HIS H H 16 9.137 9.137 8.359 0.778 17857 7539 1 15 . 1 1 17 17 ALA N N 17 121.734 121.734 121.864 -0.130 17857 7540 1 15 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.071 -0.251 17857 7541 1 15 . 1 1 17 17 ALA C C 17 178.713 178.713 178.906 -0.193 17857 7542 1 15 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.294 0.323 17857 7543 1 15 . 1 1 17 17 ALA CB C 17 17.700 17.700 17.794 -0.094 17857 7544 1 15 . 1 1 17 17 ALA H H 17 8.133 8.133 7.066 1.067 17857 7545 1 15 . 1 1 18 18 HIS N N 18 113.408 113.408 115.944 -2.536 17857 7546 1 15 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.464 -0.144 17857 7547 1 15 . 1 1 18 18 HIS CA C 18 57.837 57.837 58.364 -0.527 17857 7548 1 15 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.155 2.493 17857 7549 1 15 . 1 1 18 18 HIS H H 18 7.286 7.286 7.651 -0.365 17857 7550 1 15 . 1 1 19 19 SER N N 19 120.877 120.877 115.492 5.385 17857 7551 1 15 . 1 1 19 19 SER HA H 19 4.124 4.124 4.365 -0.241 17857 7552 1 15 . 1 1 19 19 SER C C 19 176.676 176.676 177.076 -0.400 17857 7553 1 15 . 1 1 19 19 SER CA C 19 60.979 60.979 61.642 -0.662 17857 7554 1 15 . 1 1 19 19 SER CB C 19 61.813 61.813 62.176 -0.363 17857 7555 1 15 . 1 1 19 19 SER H H 19 9.322 9.322 8.235 1.087 17857 7556 1 15 . 1 1 20 20 GLY N N 20 107.206 107.206 108.870 -1.664 17857 7557 1 15 . 1 1 20 20 GLY C C 20 174.913 174.913 174.967 -0.054 17857 7558 1 15 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.606 -0.325 17857 7559 1 15 . 1 1 20 20 GLY H H 20 8.233 8.233 7.830 0.403 17857 7560 1 15 . 1 1 21 21 LYS N N 21 118.717 118.717 120.210 -1.493 17857 7561 1 15 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.337 -0.296 17857 7562 1 15 . 1 1 21 21 LYS C C 21 176.623 176.623 176.418 0.205 17857 7563 1 15 . 1 1 21 21 LYS CA C 21 58.185 58.185 57.410 0.776 17857 7564 1 15 . 1 1 21 21 LYS CB C 21 33.157 33.157 34.161 -1.004 17857 7565 1 15 . 1 1 21 21 LYS H H 21 7.333 7.333 7.793 -0.460 17857 7566 1 15 . 1 1 22 22 GLU N N 22 116.257 116.257 117.548 -1.291 17857 7567 1 15 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.617 -0.176 17857 7568 1 15 . 1 1 22 22 GLU C C 22 175.554 175.554 175.172 0.382 17857 7569 1 15 . 1 1 22 22 GLU CA C 22 55.488 55.488 55.164 0.324 17857 7570 1 15 . 1 1 22 22 GLU CB C 22 31.892 31.892 33.664 -1.772 17857 7571 1 15 . 1 1 22 22 GLU H H 22 7.603 7.603 8.412 -0.809 17857 7572 1 15 . 1 1 23 23 GLY N N 23 108.614 108.614 110.470 -1.856 17857 7573 1 15 . 1 1 23 23 GLY C C 23 173.976 173.976 173.257 0.719 17857 7574 1 15 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.742 1.282 17857 7575 1 15 . 1 1 23 23 GLY H H 23 8.261 8.261 8.524 -0.263 17857 7576 1 15 . 1 1 24 24 ASP N N 24 124.252 124.252 121.010 3.242 17857 7577 1 15 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.735 -0.176 17857 7578 1 15 . 1 1 24 24 ASP C C 24 177.376 177.376 177.021 0.355 17857 7579 1 15 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.091 -0.267 17857 7580 1 15 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.640 1.052 17857 7581 1 15 . 1 1 24 24 ASP H H 24 8.313 8.313 8.410 -0.097 17857 7582 1 15 . 1 1 25 25 LYS N N 25 125.006 125.006 124.121 0.885 17857 7583 1 15 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.147 -0.010 17857 7584 1 15 . 1 1 25 25 LYS C C 25 175.980 175.980 177.901 -1.921 17857 7585 1 15 . 1 1 25 25 LYS CA C 25 57.436 57.436 59.199 -1.762 17857 7586 1 15 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.741 -0.396 17857 7587 1 15 . 1 1 25 25 LYS H H 25 8.327 8.327 8.513 -0.186 17857 7588 1 15 . 1 1 26 26 TYR N N 26 117.300 117.300 117.183 0.117 17857 7589 1 15 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.373 0.713 17857 7590 1 15 . 1 1 26 26 TYR C C 26 175.592 175.592 176.641 -1.049 17857 7591 1 15 . 1 1 26 26 TYR CA C 26 57.552 57.552 60.523 -2.971 17857 7592 1 15 . 1 1 26 26 TYR CB C 26 38.052 38.052 38.507 -0.455 17857 7593 1 15 . 1 1 26 26 TYR H H 26 8.490 8.490 8.121 0.369 17857 7594 1 15 . 1 1 27 27 LYS N N 27 117.820 117.820 116.739 1.081 17857 7595 1 15 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.901 0.602 17857 7596 1 15 . 1 1 27 27 LYS C C 27 174.259 174.259 175.565 -1.306 17857 7597 1 15 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.441 -0.347 17857 7598 1 15 . 1 1 27 27 LYS CB C 27 37.626 37.626 34.137 3.489 17857 7599 1 15 . 1 1 27 27 LYS H H 27 7.793 7.793 7.823 -0.030 17857 7600 1 15 . 1 1 28 28 LEU N N 28 120.282 120.282 124.837 -4.555 17857 7601 1 15 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.543 0.205 17857 7602 1 15 . 1 1 28 28 LEU C C 28 176.038 176.038 176.435 -0.397 17857 7603 1 15 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.849 -0.807 17857 7604 1 15 . 1 1 28 28 LEU CB C 28 46.382 46.382 44.574 1.808 17857 7605 1 15 . 1 1 28 28 LEU H H 28 8.692 8.692 8.294 0.398 17857 7606 1 15 . 1 1 29 29 SER N N 29 119.669 119.669 120.689 -1.020 17857 7607 1 15 . 1 1 29 29 SER HA H 29 5.121 5.121 4.566 0.555 17857 7608 1 15 . 1 1 29 29 SER C C 29 175.936 175.936 175.863 0.073 17857 7609 1 15 . 1 1 29 29 SER CA C 29 57.760 57.760 58.161 -0.401 17857 7610 1 15 . 1 1 29 29 SER CB C 29 64.689 64.689 63.831 0.858 17857 7611 1 15 . 1 1 29 29 SER H H 29 8.797 8.797 8.727 0.070 17857 7612 1 15 . 1 1 30 30 LYS N N 30 124.194 124.194 125.902 -1.708 17857 7613 1 15 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.020 -0.159 17857 7614 1 15 . 1 1 30 30 LYS C C 30 178.523 178.523 178.820 -0.297 17857 7615 1 15 . 1 1 30 30 LYS CA C 30 61.591 61.591 59.556 2.035 17857 7616 1 15 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.255 -0.251 17857 7617 1 15 . 1 1 30 30 LYS H H 30 8.842 8.842 8.428 0.414 17857 7618 1 15 . 1 1 31 31 LYS N N 31 119.922 119.922 118.876 1.046 17857 7619 1 15 . 1 1 31 31 LYS HA H 31 4.157 4.157 3.992 0.165 17857 7620 1 15 . 1 1 31 31 LYS C C 31 179.293 179.293 179.010 0.283 17857 7621 1 15 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.330 0.096 17857 7622 1 15 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.020 0.566 17857 7623 1 15 . 1 1 31 31 LYS H H 31 8.786 8.786 8.333 0.453 17857 7624 1 15 . 1 1 32 32 GLN N N 32 119.859 119.859 118.630 1.229 17857 7625 1 15 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.041 0.076 17857 7626 1 15 . 1 1 32 32 GLN C C 32 179.272 179.272 177.432 1.840 17857 7627 1 15 . 1 1 32 32 GLN CA C 32 58.178 58.178 57.923 0.255 17857 7628 1 15 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.420 0.400 17857 7629 1 15 . 1 1 32 32 GLN H H 32 7.769 7.769 7.651 0.118 17857 7630 1 15 . 1 1 33 33 LEU N N 33 122.146 122.146 119.821 2.325 17857 7631 1 15 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.998 0.047 17857 7632 1 15 . 1 1 33 33 LEU C C 33 177.408 177.408 178.329 -0.921 17857 7633 1 15 . 1 1 33 33 LEU CA C 33 57.335 57.335 57.826 -0.491 17857 7634 1 15 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.919 -1.372 17857 7635 1 15 . 1 1 33 33 LEU H H 33 8.918 8.918 7.752 1.166 17857 7636 1 15 . 1 1 34 34 LYS N N 34 120.726 120.726 119.038 1.688 17857 7637 1 15 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.990 -0.364 17857 7638 1 15 . 1 1 34 34 LYS C C 34 177.675 177.675 178.572 -0.897 17857 7639 1 15 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.955 1.030 17857 7640 1 15 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.035 -0.035 17857 7641 1 15 . 1 1 34 34 LYS H H 34 8.423 8.423 7.344 1.079 17857 7642 1 15 . 1 1 35 35 GLU N N 35 116.999 116.999 119.067 -2.068 17857 7643 1 15 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.113 -0.043 17857 7644 1 15 . 1 1 35 35 GLU C C 35 179.003 179.003 179.001 0.002 17857 7645 1 15 . 1 1 35 35 GLU CA C 35 59.502 59.502 58.812 0.690 17857 7646 1 15 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.542 -0.147 17857 7647 1 15 . 1 1 35 35 GLU H H 35 7.186 7.186 7.695 -0.509 17857 7648 1 15 . 1 1 36 36 LEU N N 36 122.908 122.908 121.732 1.176 17857 7649 1 15 . 1 1 36 36 LEU HA H 36 3.713 3.713 3.861 -0.148 17857 7650 1 15 . 1 1 36 36 LEU C C 36 178.810 178.810 178.044 0.766 17857 7651 1 15 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.199 1.234 17857 7652 1 15 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.431 0.872 17857 7653 1 15 . 1 1 36 36 LEU H H 36 8.141 8.141 8.629 -0.488 17857 7654 1 15 . 1 1 37 37 LEU N N 37 119.746 119.746 118.844 0.902 17857 7655 1 15 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.780 -0.091 17857 7656 1 15 . 1 1 37 37 LEU C C 37 178.128 178.128 178.666 -0.538 17857 7657 1 15 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.706 -0.290 17857 7658 1 15 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.659 -0.136 17857 7659 1 15 . 1 1 37 37 LEU H H 37 8.772 8.772 7.506 1.266 17857 7660 1 15 . 1 1 38 38 GLN N N 38 113.312 113.312 116.912 -3.600 17857 7661 1 15 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.310 -0.543 17857 7662 1 15 . 1 1 38 38 GLN C C 38 177.536 177.536 178.571 -1.035 17857 7663 1 15 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.371 0.415 17857 7664 1 15 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.677 0.337 17857 7665 1 15 . 1 1 38 38 GLN H H 38 8.082 8.082 7.953 0.129 17857 7666 1 15 . 1 1 39 39 THR N N 39 109.779 109.779 114.971 -5.192 17857 7667 1 15 . 1 1 39 39 THR HA H 39 4.312 4.312 4.021 0.291 17857 7668 1 15 . 1 1 39 39 THR C C 39 176.802 176.802 176.188 0.614 17857 7669 1 15 . 1 1 39 39 THR CA C 39 64.576 64.576 65.685 -1.109 17857 7670 1 15 . 1 1 39 39 THR CB C 39 69.847 69.847 68.820 1.027 17857 7671 1 15 . 1 1 39 39 THR H H 39 7.683 7.683 8.656 -0.973 17857 7672 1 15 . 1 1 40 40 GLU N N 40 118.440 118.440 119.296 -0.856 17857 7673 1 15 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.454 0.262 17857 7674 1 15 . 1 1 40 40 GLU C C 40 177.106 177.106 177.343 -0.237 17857 7675 1 15 . 1 1 40 40 GLU CA C 40 56.922 56.922 57.229 -0.307 17857 7676 1 15 . 1 1 40 40 GLU CB C 40 30.262 30.262 31.122 -0.860 17857 7677 1 15 . 1 1 40 40 GLU H H 40 8.971 8.971 8.426 0.545 17857 7678 1 15 . 1 1 41 41 LEU N N 41 119.219 119.219 121.861 -2.642 17857 7679 1 15 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.653 0.475 17857 7680 1 15 . 1 1 41 41 LEU C C 41 177.669 177.669 175.961 1.708 17857 7681 1 15 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.685 -1.385 17857 7682 1 15 . 1 1 41 41 LEU CB C 41 42.208 42.208 41.718 0.490 17857 7683 1 15 . 1 1 41 41 LEU H H 41 7.733 7.733 8.598 -0.865 17857 7684 1 15 . 1 1 42 42 SER N N 42 112.897 112.897 120.342 -7.445 17857 7685 1 15 . 1 1 42 42 SER HA H 42 3.880 3.880 4.566 -0.686 17857 7686 1 15 . 1 1 42 42 SER C C 42 176.429 176.429 174.294 2.135 17857 7687 1 15 . 1 1 42 42 SER CA C 42 61.867 61.867 58.570 3.297 17857 7688 1 15 . 1 1 42 42 SER CB C 42 62.864 62.864 63.075 -0.211 17857 7689 1 15 . 1 1 42 42 SER H H 42 6.915 6.915 8.792 -1.877 17857 7690 1 15 . 1 1 43 43 GLY N N 43 114.357 114.357 110.054 4.303 17857 7691 1 15 . 1 1 43 43 GLY C C 43 178.051 178.051 175.384 2.667 17857 7692 1 15 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.128 1.716 17857 7693 1 15 . 1 1 43 43 GLY H H 43 9.244 9.244 8.197 1.047 17857 7694 1 15 . 1 1 44 44 PHE N N 44 124.297 124.297 120.903 3.394 17857 7695 1 15 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.367 0.226 17857 7696 1 15 . 1 1 44 44 PHE C C 44 178.168 178.168 176.079 2.089 17857 7697 1 15 . 1 1 44 44 PHE CA C 44 57.510 57.510 59.538 -2.028 17857 7698 1 15 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.245 -2.102 17857 7699 1 15 . 1 1 44 44 PHE H H 44 8.273 8.273 8.278 -0.005 17857 7700 1 15 . 1 1 45 45 LEU N N 45 116.097 116.097 112.083 4.014 17857 7701 1 15 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.541 -0.365 17857 7702 1 15 . 1 1 45 45 LEU C C 45 179.069 179.069 176.789 2.280 17857 7703 1 15 . 1 1 45 45 LEU CA C 45 57.580 57.580 54.458 3.122 17857 7704 1 15 . 1 1 45 45 LEU CB C 45 41.377 41.377 40.866 0.511 17857 7705 1 15 . 1 1 45 45 LEU H H 45 8.559 8.559 7.591 0.968 17857 7706 1 15 . 1 1 46 46 ASP N N 46 119.849 119.849 121.081 -1.232 17857 7707 1 15 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.707 0.006 17857 7708 1 15 . 1 1 46 46 ASP C C 46 176.152 176.152 175.762 0.390 17857 7709 1 15 . 1 1 46 46 ASP CA C 46 55.845 55.845 54.138 1.707 17857 7710 1 15 . 1 1 46 46 ASP CB C 46 41.640 41.640 41.797 -0.157 17857 7711 1 15 . 1 1 46 46 ASP H H 46 7.707 7.707 8.352 -0.645 17857 7712 1 15 . 1 1 47 47 ALA N N 47 124.027 124.027 121.839 2.188 17857 7713 1 15 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.572 0.036 17857 7714 1 15 . 1 1 47 47 ALA C C 47 176.271 176.271 176.122 0.149 17857 7715 1 15 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.327 -1.606 17857 7716 1 15 . 1 1 47 47 ALA CB C 47 18.985 18.985 19.394 -0.409 17857 7717 1 15 . 1 1 47 47 ALA H H 47 7.710 7.710 7.392 0.318 17857 7718 1 15 . 1 1 48 48 GLN N N 48 117.138 117.138 119.386 -2.248 17857 7719 1 15 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.061 0.054 17857 7720 1 15 . 1 1 48 48 GLN C C 48 175.907 175.907 176.180 -0.273 17857 7721 1 15 . 1 1 48 48 GLN CA C 48 57.074 57.074 56.077 0.997 17857 7722 1 15 . 1 1 48 48 GLN CB C 48 30.504 30.504 27.342 3.162 17857 7723 1 15 . 1 1 48 48 GLN H H 48 7.562 7.562 7.907 -0.345 17857 7724 1 15 . 1 1 49 49 LYS N N 49 121.265 121.265 125.261 -3.996 17857 7725 1 15 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.081 0.068 17857 7726 1 15 . 1 1 49 49 LYS C C 49 176.157 176.157 176.600 -0.443 17857 7727 1 15 . 1 1 49 49 LYS CA C 49 56.337 56.337 58.021 -1.684 17857 7728 1 15 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.998 -1.767 17857 7729 1 15 . 1 1 49 49 LYS H H 49 7.974 7.974 8.487 -0.513 17857 7730 1 15 . 1 1 50 50 ASP N N 50 119.019 119.019 116.580 2.439 17857 7731 1 15 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.661 0.021 17857 7732 1 15 . 1 1 50 50 ASP C C 50 175.466 175.466 176.369 -0.903 17857 7733 1 15 . 1 1 50 50 ASP CA C 50 51.810 51.810 53.495 -1.685 17857 7734 1 15 . 1 1 50 50 ASP CB C 50 39.955 39.955 43.094 -3.139 17857 7735 1 15 . 1 1 50 50 ASP H H 50 7.523 7.523 7.727 -0.204 17857 7736 1 15 . 1 1 51 51 VAL N N 51 121.906 121.906 117.013 4.893 17857 7737 1 15 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.133 -0.272 17857 7738 1 15 . 1 1 51 51 VAL C C 51 178.158 178.158 176.439 1.719 17857 7739 1 15 . 1 1 51 51 VAL CA C 51 64.804 64.804 63.116 1.688 17857 7740 1 15 . 1 1 51 51 VAL CB C 51 31.831 31.831 33.366 -1.535 17857 7741 1 15 . 1 1 51 51 VAL H H 51 7.618 7.618 7.784 -0.166 17857 7742 1 15 . 1 1 52 52 ASP N N 52 119.692 119.692 122.625 -2.933 17857 7743 1 15 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.402 -0.043 17857 7744 1 15 . 1 1 52 52 ASP C C 52 178.427 178.427 177.683 0.744 17857 7745 1 15 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.630 -0.271 17857 7746 1 15 . 1 1 52 52 ASP CB C 52 40.921 40.921 40.281 0.640 17857 7747 1 15 . 1 1 52 52 ASP H H 52 8.081 8.081 8.084 -0.003 17857 7748 1 15 . 1 1 53 53 ALA N N 53 122.046 122.046 121.175 0.871 17857 7749 1 15 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.131 -0.111 17857 7750 1 15 . 1 1 53 53 ALA C C 53 180.602 180.602 179.093 1.509 17857 7751 1 15 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.424 0.306 17857 7752 1 15 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.456 0.411 17857 7753 1 15 . 1 1 53 53 ALA H H 53 7.538 7.538 8.428 -0.890 17857 7754 1 15 . 1 1 54 54 VAL N N 54 117.817 117.817 118.622 -0.805 17857 7755 1 15 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.665 -0.315 17857 7756 1 15 . 1 1 54 54 VAL C C 54 177.718 177.718 177.691 0.027 17857 7757 1 15 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.434 1.233 17857 7758 1 15 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.881 -0.166 17857 7759 1 15 . 1 1 54 54 VAL H H 54 7.286 7.286 7.431 -0.145 17857 7760 1 15 . 1 1 55 55 ASP N N 55 119.601 119.601 118.559 1.042 17857 7761 1 15 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.401 -0.114 17857 7762 1 15 . 1 1 55 55 ASP C C 55 178.508 178.508 177.869 0.639 17857 7763 1 15 . 1 1 55 55 ASP CA C 55 57.618 57.618 56.704 0.914 17857 7764 1 15 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.827 0.401 17857 7765 1 15 . 1 1 55 55 ASP H H 55 8.456 8.456 8.081 0.375 17857 7766 1 15 . 1 1 56 56 LYS N N 56 117.890 117.890 120.588 -2.698 17857 7767 1 15 . 1 1 56 56 LYS HA H 56 3.935 3.935 4.021 -0.086 17857 7768 1 15 . 1 1 56 56 LYS C C 56 179.509 179.509 178.545 0.964 17857 7769 1 15 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.269 0.620 17857 7770 1 15 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.153 0.367 17857 7771 1 15 . 1 1 56 56 LYS H H 56 7.921 7.921 7.406 0.515 17857 7772 1 15 . 1 1 57 57 VAL N N 57 119.196 119.196 119.707 -0.511 17857 7773 1 15 . 1 1 57 57 VAL HA H 57 3.722 3.722 4.048 -0.326 17857 7774 1 15 . 1 1 57 57 VAL C C 57 177.928 177.928 177.514 0.414 17857 7775 1 15 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.633 0.585 17857 7776 1 15 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.481 0.850 17857 7777 1 15 . 1 1 57 57 VAL H H 57 7.292 7.292 7.335 -0.043 17857 7778 1 15 . 1 1 58 58 MET N N 58 115.902 115.902 117.756 -1.854 17857 7779 1 15 . 1 1 58 58 MET HA H 58 4.128 4.128 4.131 -0.003 17857 7780 1 15 . 1 1 58 58 MET C C 58 178.952 178.952 177.576 1.376 17857 7781 1 15 . 1 1 58 58 MET CA C 58 57.582 57.582 58.744 -1.162 17857 7782 1 15 . 1 1 58 58 MET CB C 58 31.511 31.511 32.139 -0.628 17857 7783 1 15 . 1 1 58 58 MET H H 58 8.313 8.313 7.467 0.846 17857 7784 1 15 . 1 1 59 59 LYS N N 59 118.845 118.845 120.088 -1.243 17857 7785 1 15 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.957 0.115 17857 7786 1 15 . 1 1 59 59 LYS C C 59 179.149 179.149 178.677 0.472 17857 7787 1 15 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.473 -0.313 17857 7788 1 15 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.160 0.384 17857 7789 1 15 . 1 1 59 59 LYS H H 59 8.563 8.563 7.725 0.838 17857 7790 1 15 . 1 1 60 60 GLU N N 60 119.868 119.868 118.320 1.548 17857 7791 1 15 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.188 -0.156 17857 7792 1 15 . 1 1 60 60 GLU C C 60 179.083 179.083 179.110 -0.027 17857 7793 1 15 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.306 0.460 17857 7794 1 15 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.397 -0.640 17857 7795 1 15 . 1 1 60 60 GLU H H 60 7.467 7.467 7.629 -0.162 17857 7796 1 15 . 1 1 61 61 LEU N N 61 116.866 116.866 118.323 -1.457 17857 7797 1 15 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.079 -0.112 17857 7798 1 15 . 1 1 61 61 LEU C C 61 177.870 177.870 179.063 -1.193 17857 7799 1 15 . 1 1 61 61 LEU CA C 61 57.251 57.251 58.252 -1.001 17857 7800 1 15 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.478 -0.708 17857 7801 1 15 . 1 1 61 61 LEU H H 61 7.597 7.597 7.448 0.149 17857 7802 1 15 . 1 1 62 62 ASP N N 62 115.773 115.773 118.047 -2.274 17857 7803 1 15 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.422 0.065 17857 7804 1 15 . 1 1 62 62 ASP C C 62 178.871 178.871 177.644 1.227 17857 7805 1 15 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.380 -0.259 17857 7806 1 15 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.028 1.798 17857 7807 1 15 . 1 1 62 62 ASP H H 62 7.509 7.509 7.573 -0.064 17857 7808 1 15 . 1 1 63 63 GLU N N 63 119.120 119.120 117.816 1.304 17857 7809 1 15 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.070 0.061 17857 7810 1 15 . 1 1 63 63 GLU C C 63 176.937 176.937 177.025 -0.088 17857 7811 1 15 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.316 -0.263 17857 7812 1 15 . 1 1 63 63 GLU CB C 63 30.119 30.119 29.957 0.161 17857 7813 1 15 . 1 1 63 63 GLU H H 63 8.068 8.068 8.329 -0.262 17857 7814 1 15 . 1 1 64 64 ASN N N 64 117.779 117.779 114.417 3.362 17857 7815 1 15 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.798 0.324 17857 7816 1 15 . 1 1 64 64 ASN C C 64 176.299 176.299 175.743 0.556 17857 7817 1 15 . 1 1 64 64 ASN CA C 64 52.221 52.221 53.474 -1.253 17857 7818 1 15 . 1 1 64 64 ASN CB C 64 38.943 38.943 40.556 -1.613 17857 7819 1 15 . 1 1 64 64 ASN H H 64 7.719 7.719 7.515 0.204 17857 7820 1 15 . 1 1 65 65 GLY N N 65 106.860 106.860 109.154 -2.294 17857 7821 1 15 . 1 1 65 65 GLY C C 65 174.113 174.113 172.675 1.438 17857 7822 1 15 . 1 1 65 65 GLY CA C 65 47.965 47.965 46.296 1.669 17857 7823 1 15 . 1 1 65 65 GLY H H 65 7.705 7.705 8.668 -0.963 17857 7824 1 15 . 1 1 66 66 ASP N N 66 115.761 115.761 118.088 -2.327 17857 7825 1 15 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.880 -0.043 17857 7826 1 15 . 1 1 66 66 ASP C C 66 177.865 177.865 175.701 2.164 17857 7827 1 15 . 1 1 66 66 ASP CA C 66 54.199 54.199 53.540 0.659 17857 7828 1 15 . 1 1 66 66 ASP CB C 66 40.784 40.784 40.919 -0.135 17857 7829 1 15 . 1 1 66 66 ASP H H 66 8.266 8.266 7.791 0.475 17857 7830 1 15 . 1 1 67 67 GLY N N 67 109.034 109.034 110.047 -1.013 17857 7831 1 15 . 1 1 67 67 GLY C C 67 172.364 172.364 172.503 -0.139 17857 7832 1 15 . 1 1 67 67 GLY CA C 67 45.136 45.136 44.955 0.181 17857 7833 1 15 . 1 1 67 67 GLY H H 67 8.237 8.237 8.108 0.129 17857 7834 1 15 . 1 1 68 68 GLU N N 68 117.964 117.964 118.556 -0.592 17857 7835 1 15 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.180 -0.011 17857 7836 1 15 . 1 1 68 68 GLU C C 68 176.201 176.201 175.100 1.101 17857 7837 1 15 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.108 0.220 17857 7838 1 15 . 1 1 68 68 GLU CB C 68 33.900 33.900 33.578 0.322 17857 7839 1 15 . 1 1 68 68 GLU H H 68 8.415 8.415 8.368 0.047 17857 7840 1 15 . 1 1 69 69 VAL N N 69 116.232 116.232 113.638 2.594 17857 7841 1 15 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.761 0.140 17857 7842 1 15 . 1 1 69 69 VAL C C 69 174.378 174.378 174.375 0.003 17857 7843 1 15 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.652 -0.101 17857 7844 1 15 . 1 1 69 69 VAL CB C 69 35.098 35.098 34.553 0.545 17857 7845 1 15 . 1 1 69 69 VAL H H 69 9.134 9.134 8.716 0.418 17857 7846 1 15 . 1 1 70 70 ASP N N 70 121.337 121.337 118.320 3.017 17857 7847 1 15 . 1 1 70 70 ASP HA H 70 5.531 5.531 5.102 0.429 17857 7848 1 15 . 1 1 70 70 ASP C C 70 176.081 176.081 176.152 -0.071 17857 7849 1 15 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.395 -1.079 17857 7850 1 15 . 1 1 70 70 ASP CB C 70 42.873 42.873 43.872 -0.999 17857 7851 1 15 . 1 1 70 70 ASP H H 70 8.233 8.233 8.166 0.067 17857 7852 1 15 . 1 1 71 71 PHE N N 71 119.131 119.131 120.869 -1.738 17857 7853 1 15 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.710 -0.261 17857 7854 1 15 . 1 1 71 71 PHE C C 71 176.693 176.693 176.956 -0.263 17857 7855 1 15 . 1 1 71 71 PHE CA C 71 61.576 61.576 61.833 -0.257 17857 7856 1 15 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.127 1.341 17857 7857 1 15 . 1 1 71 71 PHE H H 71 9.370 9.370 8.709 0.661 17857 7858 1 15 . 1 1 72 72 GLN N N 72 116.462 116.462 117.664 -1.202 17857 7859 1 15 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.928 -0.490 17857 7860 1 15 . 1 1 72 72 GLN C C 72 177.396 177.396 177.896 -0.500 17857 7861 1 15 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.012 1.755 17857 7862 1 15 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.020 0.763 17857 7863 1 15 . 1 1 72 72 GLN H H 72 8.096 8.096 8.448 -0.352 17857 7864 1 15 . 1 1 73 73 GLU N N 73 119.541 119.541 119.558 -0.017 17857 7865 1 15 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.168 -0.181 17857 7866 1 15 . 1 1 73 73 GLU C C 73 178.861 178.861 178.351 0.510 17857 7867 1 15 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.657 0.622 17857 7868 1 15 . 1 1 73 73 GLU CB C 73 30.306 30.306 28.756 1.550 17857 7869 1 15 . 1 1 73 73 GLU H H 73 8.139 8.139 8.460 -0.321 17857 7870 1 15 . 1 1 74 74 TYR N N 74 122.065 122.065 121.140 0.925 17857 7871 1 15 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.244 0.078 17857 7872 1 15 . 1 1 74 74 TYR C C 74 175.562 175.562 177.287 -1.725 17857 7873 1 15 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.293 -0.966 17857 7874 1 15 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.640 -1.773 17857 7875 1 15 . 1 1 74 74 TYR H H 74 8.157 8.157 8.421 -0.264 17857 7876 1 15 . 1 1 75 75 VAL N N 75 119.872 119.872 115.234 4.638 17857 7877 1 15 . 1 1 75 75 VAL HA H 75 2.670 2.670 3.088 -0.418 17857 7878 1 15 . 1 1 75 75 VAL C C 75 177.425 177.425 177.309 0.116 17857 7879 1 15 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.255 1.746 17857 7880 1 15 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.975 -0.274 17857 7881 1 15 . 1 1 75 75 VAL H H 75 7.915 7.915 7.197 0.718 17857 7882 1 15 . 1 1 76 76 VAL N N 76 119.169 119.169 121.404 -2.235 17857 7883 1 15 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.566 -0.216 17857 7884 1 15 . 1 1 76 76 VAL C C 76 178.933 178.933 177.970 0.963 17857 7885 1 15 . 1 1 76 76 VAL CA C 76 66.800 66.800 66.454 0.346 17857 7886 1 15 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.268 0.332 17857 7887 1 15 . 1 1 76 76 VAL H H 76 7.545 7.545 7.101 0.444 17857 7888 1 15 . 1 1 77 77 LEU N N 77 121.356 121.356 118.736 2.620 17857 7889 1 15 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.991 0.188 17857 7890 1 15 . 1 1 77 77 LEU C C 77 179.226 179.226 179.215 0.011 17857 7891 1 15 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.669 0.604 17857 7892 1 15 . 1 1 77 77 LEU CB C 77 41.992 41.992 40.501 1.492 17857 7893 1 15 . 1 1 77 77 LEU H H 77 7.789 7.789 7.533 0.256 17857 7894 1 15 . 1 1 78 78 VAL N N 78 119.358 119.358 118.895 0.463 17857 7895 1 15 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.556 -0.103 17857 7896 1 15 . 1 1 78 78 VAL C C 78 180.653 180.653 177.884 2.769 17857 7897 1 15 . 1 1 78 78 VAL CA C 78 67.253 67.253 65.999 1.254 17857 7898 1 15 . 1 1 78 78 VAL CB C 78 31.392 31.392 30.641 0.751 17857 7899 1 15 . 1 1 78 78 VAL H H 78 8.350 8.350 7.326 1.024 17857 7900 1 15 . 1 1 79 79 ALA N N 79 125.018 125.018 121.030 3.988 17857 7901 1 15 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.048 -0.010 17857 7902 1 15 . 1 1 79 79 ALA C C 79 178.321 178.321 179.061 -0.740 17857 7903 1 15 . 1 1 79 79 ALA CA C 79 56.081 56.081 54.413 1.668 17857 7904 1 15 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.124 0.165 17857 7905 1 15 . 1 1 79 79 ALA H H 79 9.009 9.009 7.929 1.080 17857 7906 1 15 . 1 1 80 80 ALA N N 80 121.933 121.933 122.854 -0.921 17857 7907 1 15 . 1 1 80 80 ALA HA H 80 4.003 4.003 4.117 -0.114 17857 7908 1 15 . 1 1 80 80 ALA C C 80 181.548 181.548 179.163 2.385 17857 7909 1 15 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.869 0.550 17857 7910 1 15 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.456 -0.787 17857 7911 1 15 . 1 1 80 80 ALA H H 80 8.311 8.311 7.712 0.599 17857 7912 1 15 . 1 1 81 81 LEU N N 81 117.563 117.563 115.457 2.106 17857 7913 1 15 . 1 1 81 81 LEU HA H 81 4.033 4.033 4.076 -0.043 17857 7914 1 15 . 1 1 81 81 LEU C C 81 178.536 178.536 178.654 -0.118 17857 7915 1 15 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.843 -0.180 17857 7916 1 15 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.198 0.755 17857 7917 1 15 . 1 1 81 81 LEU H H 81 8.056 8.056 7.818 0.238 17857 7918 1 15 . 1 1 82 82 THR N N 82 117.473 117.473 116.469 1.004 17857 7919 1 15 . 1 1 82 82 THR HA H 82 3.669 3.669 3.360 0.309 17857 7920 1 15 . 1 1 82 82 THR C C 82 176.658 176.658 176.114 0.544 17857 7921 1 15 . 1 1 82 82 THR CA C 82 68.836 68.836 66.532 2.304 17857 7922 1 15 . 1 1 82 82 THR CB C 82 67.515 67.515 68.057 -0.542 17857 7923 1 15 . 1 1 82 82 THR H H 82 8.299 8.299 7.299 1.000 17857 7924 1 15 . 1 1 83 83 VAL N N 83 121.111 121.111 120.949 0.162 17857 7925 1 15 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.753 -0.627 17857 7926 1 15 . 1 1 83 83 VAL C C 83 176.323 176.323 176.741 -0.418 17857 7927 1 15 . 1 1 83 83 VAL CA C 83 65.247 65.247 65.871 -0.624 17857 7928 1 15 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.333 -0.311 17857 7929 1 15 . 1 1 83 83 VAL H H 83 7.953 7.953 7.627 0.326 17857 7930 1 15 . 1 1 84 84 ALA N N 84 117.068 117.068 119.742 -2.674 17857 7931 1 15 . 1 1 84 84 ALA HA H 84 4.573 4.573 3.952 0.621 17857 7932 1 15 . 1 1 84 84 ALA C C 84 177.919 177.919 178.339 -0.420 17857 7933 1 15 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.975 -0.955 17857 7934 1 15 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.817 2.126 17857 7935 1 15 . 1 1 84 84 ALA H H 84 7.105 7.105 7.807 -0.702 17857 7936 1 15 . 1 1 85 85 CYS N N 85 112.195 112.195 116.455 -4.260 17857 7937 1 15 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.433 0.107 17857 7938 1 15 . 1 1 85 85 CYS C C 85 173.282 173.282 175.302 -2.020 17857 7939 1 15 . 1 1 85 85 CYS CA C 85 60.342 60.342 59.055 1.287 17857 7940 1 15 . 1 1 85 85 CYS CB C 85 32.440 32.440 29.166 3.273 17857 7941 1 15 . 1 1 85 85 CYS H H 85 7.371 7.371 7.466 -0.095 17857 7942 1 15 . 1 1 86 86 ASN N N 86 118.815 118.815 122.154 -3.339 17857 7943 1 15 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.663 -0.166 17857 7944 1 15 . 1 1 86 86 ASN CA C 86 54.737 54.737 54.802 -0.065 17857 7945 1 15 . 1 1 86 86 ASN CB C 86 42.130 42.130 38.886 3.244 17857 7946 1 15 . 1 1 86 86 ASN H H 86 8.347 8.347 8.623 -0.276 17857 7947 1 15 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.975 -0.650 17857 7948 1 15 . 1 1 87 87 ASN C C 87 176.216 176.216 174.213 2.003 17857 7949 1 15 . 1 1 87 87 ASN CA C 87 56.570 56.570 52.417 4.153 17857 7950 1 15 . 1 1 87 87 ASN CB C 87 38.479 38.479 38.329 0.150 17857 7951 1 15 . 1 1 88 88 PHE N N 88 120.522 120.522 122.863 -2.341 17857 7952 1 15 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.117 -0.020 17857 7953 1 15 . 1 1 88 88 PHE C C 88 176.803 176.803 176.168 0.635 17857 7954 1 15 . 1 1 88 88 PHE CA C 88 61.023 61.023 62.000 -0.977 17857 7955 1 15 . 1 1 88 88 PHE CB C 88 39.682 39.682 38.702 0.980 17857 7956 1 15 . 1 1 88 88 PHE H H 88 8.642 8.642 8.193 0.449 17857 7957 1 15 . 1 1 89 89 PHE N N 89 112.727 112.727 115.729 -3.002 17857 7958 1 15 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.298 -0.495 17857 7959 1 15 . 1 1 89 89 PHE C C 89 173.691 173.691 175.693 -2.002 17857 7960 1 15 . 1 1 89 89 PHE CA C 89 59.208 59.208 59.628 -0.420 17857 7961 1 15 . 1 1 89 89 PHE CB C 89 39.029 39.029 37.955 1.074 17857 7962 1 15 . 1 1 89 89 PHE H H 89 7.408 7.408 7.659 -0.251 17857 7963 1 15 . 1 1 90 90 TRP N N 90 118.731 118.731 120.379 -1.648 17857 7964 1 15 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.689 -0.099 17857 7965 1 15 . 1 1 90 90 TRP C C 90 175.269 175.269 175.867 -0.598 17857 7966 1 15 . 1 1 90 90 TRP CA C 90 56.840 56.840 56.849 -0.009 17857 7967 1 15 . 1 1 90 90 TRP CB C 90 31.400 31.400 29.671 1.729 17857 7968 1 15 . 1 1 90 90 TRP H H 90 7.359 7.359 7.747 -0.388 17857 7969 1 15 . 1 1 91 91 GLU N N 91 121.302 121.302 121.444 -0.142 17857 7970 1 15 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.261 0.082 17857 7971 1 15 . 1 1 91 91 GLU C C 91 176.081 176.081 175.689 0.392 17857 7972 1 15 . 1 1 91 91 GLU CA C 91 56.857 56.857 57.290 -0.433 17857 7973 1 15 . 1 1 91 91 GLU CB C 91 30.548 30.548 29.966 0.582 17857 7974 1 15 . 1 1 91 91 GLU H H 91 7.766 7.766 8.492 -0.726 17857 7975 1 15 . 1 1 92 92 ASN N N 92 120.522 120.522 118.982 1.540 17857 7976 1 15 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.587 0.180 17857 7977 1 15 . 1 1 92 92 ASN C C 92 174.283 174.283 175.616 -1.333 17857 7978 1 15 . 1 1 92 92 ASN CA C 92 53.407 53.407 52.760 0.647 17857 7979 1 15 . 1 1 92 92 ASN CB C 92 39.276 39.276 37.892 1.384 17857 7980 1 15 . 1 1 92 92 ASN H H 92 8.462 8.462 8.323 0.139 17857 7981 1 16 . 1 1 2 2 SER N N 2 118.698 118.698 116.801 1.897 17857 7982 1 16 . 1 1 2 2 SER HA H 2 4.691 4.691 4.576 0.115 17857 7983 1 16 . 1 1 2 2 SER C C 2 175.496 175.496 175.519 -0.023 17857 7984 1 16 . 1 1 2 2 SER CA C 2 57.481 57.481 58.083 -0.602 17857 7985 1 16 . 1 1 2 2 SER CB C 2 65.371 65.371 65.200 0.172 17857 7986 1 16 . 1 1 2 2 SER H H 2 9.211 9.211 8.662 0.549 17857 7987 1 16 . 1 1 3 3 GLU N N 3 122.860 122.860 121.082 1.778 17857 7988 1 16 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.123 -0.008 17857 7989 1 16 . 1 1 3 3 GLU C C 3 179.171 179.171 177.488 1.683 17857 7990 1 16 . 1 1 3 3 GLU CA C 3 60.757 60.757 58.820 1.937 17857 7991 1 16 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.528 -0.489 17857 7992 1 16 . 1 1 3 3 GLU H H 3 9.205 9.205 8.944 0.261 17857 7993 1 16 . 1 1 4 4 LEU N N 4 120.718 120.718 120.322 0.396 17857 7994 1 16 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.162 -0.126 17857 7995 1 16 . 1 1 4 4 LEU C C 4 178.360 178.360 178.379 -0.019 17857 7996 1 16 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.129 0.782 17857 7997 1 16 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.846 0.516 17857 7998 1 16 . 1 1 4 4 LEU H H 4 8.854 8.854 7.754 1.100 17857 7999 1 16 . 1 1 5 5 GLU N N 5 118.542 118.542 118.258 0.284 17857 8000 1 16 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.944 -0.689 17857 8001 1 16 . 1 1 5 5 GLU C C 5 179.204 179.204 179.273 -0.069 17857 8002 1 16 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.451 0.366 17857 8003 1 16 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.624 -0.421 17857 8004 1 16 . 1 1 5 5 GLU H H 5 7.791 7.791 8.212 -0.421 17857 8005 1 16 . 1 1 6 6 THR N N 6 115.783 115.783 113.531 2.252 17857 8006 1 16 . 1 1 6 6 THR HA H 6 4.017 4.017 4.130 -0.113 17857 8007 1 16 . 1 1 6 6 THR C C 6 176.807 176.807 175.479 1.328 17857 8008 1 16 . 1 1 6 6 THR CA C 6 66.668 66.668 64.727 1.941 17857 8009 1 16 . 1 1 6 6 THR CB C 6 68.763 68.763 68.856 -0.093 17857 8010 1 16 . 1 1 6 6 THR H H 6 8.371 8.371 8.100 0.271 17857 8011 1 16 . 1 1 7 7 ALA N N 7 125.707 125.707 123.628 2.079 17857 8012 1 16 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.099 0.173 17857 8013 1 16 . 1 1 7 7 ALA C C 7 179.856 179.856 179.172 0.684 17857 8014 1 16 . 1 1 7 7 ALA CA C 7 55.702 55.702 54.993 0.709 17857 8015 1 16 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.486 -0.256 17857 8016 1 16 . 1 1 7 7 ALA H H 7 8.267 8.267 7.837 0.430 17857 8017 1 16 . 1 1 8 8 MET N N 8 115.222 115.222 115.221 0.001 17857 8018 1 16 . 1 1 8 8 MET HA H 8 4.858 4.858 4.571 0.287 17857 8019 1 16 . 1 1 8 8 MET C C 8 179.635 179.635 178.434 1.201 17857 8020 1 16 . 1 1 8 8 MET CA C 8 56.669 56.669 55.764 0.905 17857 8021 1 16 . 1 1 8 8 MET CB C 8 29.136 29.136 31.442 -2.306 17857 8022 1 16 . 1 1 8 8 MET H H 8 8.106 8.106 7.632 0.474 17857 8023 1 16 . 1 1 9 9 GLU N N 9 120.456 120.456 119.860 0.596 17857 8024 1 16 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.170 -0.055 17857 8025 1 16 . 1 1 9 9 GLU C C 9 179.531 179.531 179.242 0.289 17857 8026 1 16 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.484 1.147 17857 8027 1 16 . 1 1 9 9 GLU CB C 9 28.977 28.977 28.849 0.127 17857 8028 1 16 . 1 1 9 9 GLU H H 9 8.658 8.658 7.835 0.823 17857 8029 1 16 . 1 1 10 10 THR N N 10 118.547 118.547 116.707 1.840 17857 8030 1 16 . 1 1 10 10 THR HA H 10 4.116 4.116 4.225 -0.109 17857 8031 1 16 . 1 1 10 10 THR C C 10 175.942 175.942 176.153 -0.211 17857 8032 1 16 . 1 1 10 10 THR CA C 10 67.521 67.521 65.872 1.649 17857 8033 1 16 . 1 1 10 10 THR CB C 10 67.933 67.933 68.597 -0.664 17857 8034 1 16 . 1 1 10 10 THR H H 10 8.417 8.417 7.764 0.653 17857 8035 1 16 . 1 1 11 11 LEU N N 11 121.715 121.715 123.348 -1.633 17857 8036 1 16 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.269 -0.202 17857 8037 1 16 . 1 1 11 11 LEU C C 11 181.784 181.784 179.475 2.309 17857 8038 1 16 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.424 2.019 17857 8039 1 16 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.046 -0.053 17857 8040 1 16 . 1 1 11 11 LEU H H 11 8.324 8.324 7.544 0.780 17857 8041 1 16 . 1 1 12 12 ILE N N 12 121.081 121.081 119.677 1.404 17857 8042 1 16 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.748 -0.184 17857 8043 1 16 . 1 1 12 12 ILE C C 12 176.221 176.221 177.677 -1.456 17857 8044 1 16 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.513 1.665 17857 8045 1 16 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.032 1.363 17857 8046 1 16 . 1 1 12 12 ILE H H 12 8.419 8.419 8.755 -0.336 17857 8047 1 16 . 1 1 13 13 ASN N N 13 120.254 120.254 118.295 1.959 17857 8048 1 16 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.566 -0.196 17857 8049 1 16 . 1 1 13 13 ASN C C 13 179.124 179.124 177.955 1.169 17857 8050 1 16 . 1 1 13 13 ASN CA C 13 56.615 56.615 55.876 0.740 17857 8051 1 16 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.149 0.006 17857 8052 1 16 . 1 1 13 13 ASN H H 13 8.593 8.593 7.898 0.695 17857 8053 1 16 . 1 1 14 14 VAL N N 14 121.599 121.599 119.675 1.924 17857 8054 1 16 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.591 0.265 17857 8055 1 16 . 1 1 14 14 VAL C C 14 177.155 177.155 177.485 -0.330 17857 8056 1 16 . 1 1 14 14 VAL CA C 14 66.705 66.705 65.727 0.978 17857 8057 1 16 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.468 0.416 17857 8058 1 16 . 1 1 14 14 VAL H H 14 8.838 8.838 7.854 0.984 17857 8059 1 16 . 1 1 15 15 PHE N N 15 120.139 120.139 122.111 -1.972 17857 8060 1 16 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.971 -0.372 17857 8061 1 16 . 1 1 15 15 PHE C C 15 177.601 177.601 176.657 0.944 17857 8062 1 16 . 1 1 15 15 PHE CA C 15 62.399 62.399 61.791 0.608 17857 8063 1 16 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.179 0.453 17857 8064 1 16 . 1 1 15 15 PHE H H 15 7.456 7.456 8.653 -1.197 17857 8065 1 16 . 1 1 16 16 HIS N N 16 118.175 118.175 116.856 1.319 17857 8066 1 16 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.516 0.627 17857 8067 1 16 . 1 1 16 16 HIS C C 16 177.972 177.972 177.257 0.715 17857 8068 1 16 . 1 1 16 16 HIS CA C 16 55.795 55.795 56.321 -0.526 17857 8069 1 16 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.602 1.725 17857 8070 1 16 . 1 1 16 16 HIS H H 16 9.137 9.137 7.979 1.158 17857 8071 1 16 . 1 1 17 17 ALA N N 17 121.734 121.734 122.068 -0.334 17857 8072 1 16 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.024 -0.204 17857 8073 1 16 . 1 1 17 17 ALA C C 17 178.713 178.713 177.841 0.872 17857 8074 1 16 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.312 0.305 17857 8075 1 16 . 1 1 17 17 ALA CB C 17 17.700 17.700 17.822 -0.122 17857 8076 1 16 . 1 1 17 17 ALA H H 17 8.133 8.133 7.064 1.069 17857 8077 1 16 . 1 1 18 18 HIS N N 18 113.408 113.408 114.509 -1.101 17857 8078 1 16 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.574 -0.254 17857 8079 1 16 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.799 0.038 17857 8080 1 16 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.871 1.777 17857 8081 1 16 . 1 1 18 18 HIS H H 18 7.286 7.286 7.422 -0.136 17857 8082 1 16 . 1 1 19 19 SER N N 19 120.877 120.877 116.498 4.379 17857 8083 1 16 . 1 1 19 19 SER HA H 19 4.124 4.124 4.081 0.043 17857 8084 1 16 . 1 1 19 19 SER C C 19 176.676 176.676 176.098 0.578 17857 8085 1 16 . 1 1 19 19 SER CA C 19 60.979 60.979 60.760 0.219 17857 8086 1 16 . 1 1 19 19 SER CB C 19 61.813 61.813 63.008 -1.196 17857 8087 1 16 . 1 1 19 19 SER H H 19 9.322 9.322 7.544 1.778 17857 8088 1 16 . 1 1 20 20 GLY N N 20 107.206 107.206 109.240 -2.034 17857 8089 1 16 . 1 1 20 20 GLY C C 20 174.913 174.913 174.978 -0.065 17857 8090 1 16 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.394 -0.113 17857 8091 1 16 . 1 1 20 20 GLY H H 20 8.233 8.233 8.062 0.171 17857 8092 1 16 . 1 1 21 21 LYS N N 21 118.717 118.717 121.149 -2.432 17857 8093 1 16 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.128 -0.087 17857 8094 1 16 . 1 1 21 21 LYS C C 21 176.623 176.623 176.453 0.170 17857 8095 1 16 . 1 1 21 21 LYS CA C 21 58.185 58.185 57.251 0.934 17857 8096 1 16 . 1 1 21 21 LYS CB C 21 33.157 33.157 32.981 0.176 17857 8097 1 16 . 1 1 21 21 LYS H H 21 7.333 7.333 7.631 -0.298 17857 8098 1 16 . 1 1 22 22 GLU N N 22 116.257 116.257 118.698 -2.441 17857 8099 1 16 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.405 0.036 17857 8100 1 16 . 1 1 22 22 GLU C C 22 175.554 175.554 176.353 -0.799 17857 8101 1 16 . 1 1 22 22 GLU CA C 22 55.488 55.488 56.239 -0.751 17857 8102 1 16 . 1 1 22 22 GLU CB C 22 31.892 31.892 30.411 1.481 17857 8103 1 16 . 1 1 22 22 GLU H H 22 7.603 7.603 8.413 -0.810 17857 8104 1 16 . 1 1 23 23 GLY N N 23 108.614 108.614 114.644 -6.030 17857 8105 1 16 . 1 1 23 23 GLY C C 23 173.976 173.976 173.777 0.199 17857 8106 1 16 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.402 1.622 17857 8107 1 16 . 1 1 23 23 GLY H H 23 8.261 8.261 8.585 -0.324 17857 8108 1 16 . 1 1 24 24 ASP N N 24 124.252 124.252 122.902 1.350 17857 8109 1 16 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.771 -0.212 17857 8110 1 16 . 1 1 24 24 ASP C C 24 177.376 177.376 176.161 1.215 17857 8111 1 16 . 1 1 24 24 ASP CA C 24 53.824 53.824 53.833 -0.009 17857 8112 1 16 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.685 1.007 17857 8113 1 16 . 1 1 24 24 ASP H H 24 8.313 8.313 8.415 -0.102 17857 8114 1 16 . 1 1 25 25 LYS N N 25 125.006 125.006 120.059 4.947 17857 8115 1 16 . 1 1 25 25 LYS HA H 25 4.137 4.137 3.805 0.332 17857 8116 1 16 . 1 1 25 25 LYS C C 25 175.980 175.980 177.670 -1.690 17857 8117 1 16 . 1 1 25 25 LYS CA C 25 57.436 57.436 58.070 -0.634 17857 8118 1 16 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.395 -0.050 17857 8119 1 16 . 1 1 25 25 LYS H H 25 8.327 8.327 8.322 0.005 17857 8120 1 16 . 1 1 26 26 TYR N N 26 117.300 117.300 114.120 3.180 17857 8121 1 16 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.639 0.447 17857 8122 1 16 . 1 1 26 26 TYR C C 26 175.592 175.592 175.540 0.052 17857 8123 1 16 . 1 1 26 26 TYR CA C 26 57.552 57.552 57.057 0.495 17857 8124 1 16 . 1 1 26 26 TYR CB C 26 38.052 38.052 39.639 -1.587 17857 8125 1 16 . 1 1 26 26 TYR H H 26 8.490 8.490 7.860 0.630 17857 8126 1 16 . 1 1 27 27 LYS N N 27 117.820 117.820 119.194 -1.374 17857 8127 1 16 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.693 0.810 17857 8128 1 16 . 1 1 27 27 LYS C C 27 174.259 174.259 174.751 -0.492 17857 8129 1 16 . 1 1 27 27 LYS CA C 27 54.094 54.094 55.002 -0.908 17857 8130 1 16 . 1 1 27 27 LYS CB C 27 37.626 37.626 34.441 3.185 17857 8131 1 16 . 1 1 27 27 LYS H H 27 7.793 7.793 7.581 0.212 17857 8132 1 16 . 1 1 28 28 LEU N N 28 120.282 120.282 120.984 -0.702 17857 8133 1 16 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.681 0.067 17857 8134 1 16 . 1 1 28 28 LEU C C 28 176.038 176.038 175.157 0.881 17857 8135 1 16 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.631 -0.589 17857 8136 1 16 . 1 1 28 28 LEU CB C 28 46.382 46.382 45.576 0.806 17857 8137 1 16 . 1 1 28 28 LEU H H 28 8.692 8.692 8.460 0.232 17857 8138 1 16 . 1 1 29 29 SER N N 29 119.669 119.669 120.584 -0.915 17857 8139 1 16 . 1 1 29 29 SER HA H 29 5.121 5.121 4.536 0.585 17857 8140 1 16 . 1 1 29 29 SER C C 29 175.936 175.936 175.141 0.795 17857 8141 1 16 . 1 1 29 29 SER CA C 29 57.760 57.760 58.535 -0.775 17857 8142 1 16 . 1 1 29 29 SER CB C 29 64.689 64.689 64.082 0.607 17857 8143 1 16 . 1 1 29 29 SER H H 29 8.797 8.797 8.722 0.075 17857 8144 1 16 . 1 1 30 30 LYS N N 30 124.194 124.194 122.610 1.584 17857 8145 1 16 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.262 -0.401 17857 8146 1 16 . 1 1 30 30 LYS C C 30 178.523 178.523 177.449 1.074 17857 8147 1 16 . 1 1 30 30 LYS CA C 30 61.591 61.591 57.438 4.153 17857 8148 1 16 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.466 -0.462 17857 8149 1 16 . 1 1 30 30 LYS H H 30 8.842 8.842 8.285 0.557 17857 8150 1 16 . 1 1 31 31 LYS N N 31 119.922 119.922 117.956 1.966 17857 8151 1 16 . 1 1 31 31 LYS HA H 31 4.157 4.157 4.218 -0.061 17857 8152 1 16 . 1 1 31 31 LYS C C 31 179.293 179.293 178.871 0.422 17857 8153 1 16 . 1 1 31 31 LYS CA C 31 59.426 59.426 58.842 0.584 17857 8154 1 16 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.529 0.057 17857 8155 1 16 . 1 1 31 31 LYS H H 31 8.786 8.786 8.208 0.578 17857 8156 1 16 . 1 1 32 32 GLN N N 32 119.859 119.859 119.592 0.267 17857 8157 1 16 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.079 0.038 17857 8158 1 16 . 1 1 32 32 GLN C C 32 179.272 179.272 177.599 1.673 17857 8159 1 16 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.220 -0.042 17857 8160 1 16 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.474 0.346 17857 8161 1 16 . 1 1 32 32 GLN H H 32 7.769 7.769 7.599 0.170 17857 8162 1 16 . 1 1 33 33 LEU N N 33 122.146 122.146 118.959 3.187 17857 8163 1 16 . 1 1 33 33 LEU HA H 33 4.045 4.045 4.042 0.003 17857 8164 1 16 . 1 1 33 33 LEU C C 33 177.408 177.408 178.812 -1.404 17857 8165 1 16 . 1 1 33 33 LEU CA C 33 57.335 57.335 57.624 -0.289 17857 8166 1 16 . 1 1 33 33 LEU CB C 33 40.547 40.547 40.901 -0.354 17857 8167 1 16 . 1 1 33 33 LEU H H 33 8.918 8.918 8.191 0.727 17857 8168 1 16 . 1 1 34 34 LYS N N 34 120.726 120.726 119.427 1.299 17857 8169 1 16 . 1 1 34 34 LYS HA H 34 3.626 3.626 4.058 -0.432 17857 8170 1 16 . 1 1 34 34 LYS C C 34 177.675 177.675 178.508 -0.833 17857 8171 1 16 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.744 1.241 17857 8172 1 16 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.335 -0.335 17857 8173 1 16 . 1 1 34 34 LYS H H 34 8.423 8.423 7.559 0.864 17857 8174 1 16 . 1 1 35 35 GLU N N 35 116.999 116.999 119.842 -2.843 17857 8175 1 16 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.041 0.029 17857 8176 1 16 . 1 1 35 35 GLU C C 35 179.003 179.003 179.200 -0.197 17857 8177 1 16 . 1 1 35 35 GLU CA C 35 59.502 59.502 58.962 0.540 17857 8178 1 16 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.599 -0.204 17857 8179 1 16 . 1 1 35 35 GLU H H 35 7.186 7.186 8.163 -0.977 17857 8180 1 16 . 1 1 36 36 LEU N N 36 122.908 122.908 121.914 0.994 17857 8181 1 16 . 1 1 36 36 LEU HA H 36 3.713 3.713 3.941 -0.228 17857 8182 1 16 . 1 1 36 36 LEU C C 36 178.810 178.810 177.921 0.889 17857 8183 1 16 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.349 1.084 17857 8184 1 16 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.732 0.571 17857 8185 1 16 . 1 1 36 36 LEU H H 36 8.141 8.141 8.852 -0.711 17857 8186 1 16 . 1 1 37 37 LEU N N 37 119.746 119.746 118.105 1.641 17857 8187 1 16 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.922 -0.233 17857 8188 1 16 . 1 1 37 37 LEU C C 37 178.128 178.128 179.297 -1.169 17857 8189 1 16 . 1 1 37 37 LEU CA C 37 58.416 58.416 57.874 0.542 17857 8190 1 16 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.573 -0.050 17857 8191 1 16 . 1 1 37 37 LEU H H 37 8.772 8.772 7.420 1.352 17857 8192 1 16 . 1 1 38 38 GLN N N 38 113.312 113.312 118.144 -4.832 17857 8193 1 16 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.274 -0.507 17857 8194 1 16 . 1 1 38 38 GLN C C 38 177.536 177.536 178.433 -0.897 17857 8195 1 16 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.462 0.324 17857 8196 1 16 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.784 0.230 17857 8197 1 16 . 1 1 38 38 GLN H H 38 8.082 8.082 8.085 -0.003 17857 8198 1 16 . 1 1 39 39 THR N N 39 109.779 109.779 114.503 -4.724 17857 8199 1 16 . 1 1 39 39 THR HA H 39 4.312 4.312 4.146 0.166 17857 8200 1 16 . 1 1 39 39 THR C C 39 176.802 176.802 175.857 0.945 17857 8201 1 16 . 1 1 39 39 THR CA C 39 64.576 64.576 65.853 -1.277 17857 8202 1 16 . 1 1 39 39 THR CB C 39 69.847 69.847 68.885 0.963 17857 8203 1 16 . 1 1 39 39 THR H H 39 7.683 7.683 8.554 -0.871 17857 8204 1 16 . 1 1 40 40 GLU N N 40 118.440 118.440 119.308 -0.868 17857 8205 1 16 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.419 0.297 17857 8206 1 16 . 1 1 40 40 GLU C C 40 177.106 177.106 177.461 -0.355 17857 8207 1 16 . 1 1 40 40 GLU CA C 40 56.922 56.922 57.350 -0.428 17857 8208 1 16 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.615 -0.353 17857 8209 1 16 . 1 1 40 40 GLU H H 40 8.971 8.971 8.071 0.900 17857 8210 1 16 . 1 1 41 41 LEU N N 41 119.219 119.219 122.061 -2.842 17857 8211 1 16 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.602 0.526 17857 8212 1 16 . 1 1 41 41 LEU C C 41 177.669 177.669 175.824 1.845 17857 8213 1 16 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.618 -1.319 17857 8214 1 16 . 1 1 41 41 LEU CB C 41 42.208 42.208 41.529 0.679 17857 8215 1 16 . 1 1 41 41 LEU H H 41 7.733 7.733 8.374 -0.641 17857 8216 1 16 . 1 1 42 42 SER N N 42 112.897 112.897 118.745 -5.848 17857 8217 1 16 . 1 1 42 42 SER HA H 42 3.880 3.880 4.581 -0.701 17857 8218 1 16 . 1 1 42 42 SER C C 42 176.429 176.429 174.582 1.847 17857 8219 1 16 . 1 1 42 42 SER CA C 42 61.867 61.867 58.034 3.833 17857 8220 1 16 . 1 1 42 42 SER CB C 42 62.864 62.864 63.228 -0.364 17857 8221 1 16 . 1 1 42 42 SER H H 42 6.915 6.915 8.362 -1.447 17857 8222 1 16 . 1 1 43 43 GLY N N 43 114.357 114.357 110.046 4.311 17857 8223 1 16 . 1 1 43 43 GLY C C 43 178.051 178.051 175.262 2.789 17857 8224 1 16 . 1 1 43 43 GLY CA C 43 46.844 46.844 44.900 1.944 17857 8225 1 16 . 1 1 43 43 GLY H H 43 9.244 9.244 8.167 1.077 17857 8226 1 16 . 1 1 44 44 PHE N N 44 124.297 124.297 121.498 2.799 17857 8227 1 16 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.308 0.285 17857 8228 1 16 . 1 1 44 44 PHE C C 44 178.168 178.168 177.068 1.100 17857 8229 1 16 . 1 1 44 44 PHE CA C 44 57.510 57.510 59.907 -2.397 17857 8230 1 16 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.753 -2.610 17857 8231 1 16 . 1 1 44 44 PHE H H 44 8.273 8.273 7.860 0.413 17857 8232 1 16 . 1 1 45 45 LEU N N 45 116.097 116.097 114.130 1.967 17857 8233 1 16 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.238 -0.062 17857 8234 1 16 . 1 1 45 45 LEU C C 45 179.069 179.069 177.273 1.796 17857 8235 1 16 . 1 1 45 45 LEU CA C 45 57.580 57.580 56.237 1.343 17857 8236 1 16 . 1 1 45 45 LEU CB C 45 41.377 41.377 40.761 0.616 17857 8237 1 16 . 1 1 45 45 LEU H H 45 8.559 8.559 8.442 0.117 17857 8238 1 16 . 1 1 46 46 ASP N N 46 119.849 119.849 120.334 -0.485 17857 8239 1 16 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.698 0.015 17857 8240 1 16 . 1 1 46 46 ASP C C 46 176.152 176.152 176.284 -0.132 17857 8241 1 16 . 1 1 46 46 ASP CA C 46 55.845 55.845 54.445 1.400 17857 8242 1 16 . 1 1 46 46 ASP CB C 46 41.640 41.640 41.903 -0.263 17857 8243 1 16 . 1 1 46 46 ASP H H 46 7.707 7.707 7.679 0.028 17857 8244 1 16 . 1 1 47 47 ALA N N 47 124.027 124.027 121.831 2.196 17857 8245 1 16 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.691 -0.083 17857 8246 1 16 . 1 1 47 47 ALA C C 47 176.271 176.271 175.496 0.775 17857 8247 1 16 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.237 -1.516 17857 8248 1 16 . 1 1 47 47 ALA CB C 47 18.985 18.985 19.637 -0.652 17857 8249 1 16 . 1 1 47 47 ALA H H 47 7.710 7.710 7.990 -0.280 17857 8250 1 16 . 1 1 48 48 GLN N N 48 117.138 117.138 118.589 -1.451 17857 8251 1 16 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.256 -0.141 17857 8252 1 16 . 1 1 48 48 GLN C C 48 175.907 175.907 175.593 0.314 17857 8253 1 16 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.816 1.258 17857 8254 1 16 . 1 1 48 48 GLN CB C 48 30.504 30.504 28.825 1.679 17857 8255 1 16 . 1 1 48 48 GLN H H 48 7.562 7.562 8.040 -0.478 17857 8256 1 16 . 1 1 49 49 LYS N N 49 121.265 121.265 125.850 -4.585 17857 8257 1 16 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.373 -0.224 17857 8258 1 16 . 1 1 49 49 LYS C C 49 176.157 176.157 176.881 -0.724 17857 8259 1 16 . 1 1 49 49 LYS CA C 49 56.337 56.337 56.622 -0.285 17857 8260 1 16 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.948 -1.717 17857 8261 1 16 . 1 1 49 49 LYS H H 49 7.974 7.974 8.761 -0.787 17857 8262 1 16 . 1 1 50 50 ASP N N 50 119.019 119.019 120.166 -1.147 17857 8263 1 16 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.463 0.219 17857 8264 1 16 . 1 1 50 50 ASP C C 50 175.466 175.466 176.407 -0.941 17857 8265 1 16 . 1 1 50 50 ASP CA C 50 51.810 51.810 55.394 -3.584 17857 8266 1 16 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.288 -1.333 17857 8267 1 16 . 1 1 50 50 ASP H H 50 7.523 7.523 8.041 -0.518 17857 8268 1 16 . 1 1 51 51 VAL N N 51 121.906 121.906 120.672 1.234 17857 8269 1 16 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.105 -0.244 17857 8270 1 16 . 1 1 51 51 VAL C C 51 178.158 178.158 177.010 1.148 17857 8271 1 16 . 1 1 51 51 VAL CA C 51 64.804 64.804 64.130 0.674 17857 8272 1 16 . 1 1 51 51 VAL CB C 51 31.831 31.831 32.779 -0.949 17857 8273 1 16 . 1 1 51 51 VAL H H 51 7.618 7.618 7.992 -0.374 17857 8274 1 16 . 1 1 52 52 ASP N N 52 119.692 119.692 121.040 -1.348 17857 8275 1 16 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.332 0.027 17857 8276 1 16 . 1 1 52 52 ASP C C 52 178.427 178.427 178.677 -0.250 17857 8277 1 16 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.907 -0.548 17857 8278 1 16 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.769 1.152 17857 8279 1 16 . 1 1 52 52 ASP H H 52 8.081 8.081 8.561 -0.480 17857 8280 1 16 . 1 1 53 53 ALA N N 53 122.046 122.046 120.824 1.222 17857 8281 1 16 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.086 -0.066 17857 8282 1 16 . 1 1 53 53 ALA C C 53 180.602 180.602 179.319 1.283 17857 8283 1 16 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.803 -0.073 17857 8284 1 16 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.423 0.444 17857 8285 1 16 . 1 1 53 53 ALA H H 53 7.538 7.538 8.248 -0.710 17857 8286 1 16 . 1 1 54 54 VAL N N 54 117.817 117.817 117.996 -0.179 17857 8287 1 16 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.702 -0.352 17857 8288 1 16 . 1 1 54 54 VAL C C 54 177.718 177.718 177.528 0.190 17857 8289 1 16 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.059 1.608 17857 8290 1 16 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.724 -0.009 17857 8291 1 16 . 1 1 54 54 VAL H H 54 7.286 7.286 7.452 -0.166 17857 8292 1 16 . 1 1 55 55 ASP N N 55 119.601 119.601 119.444 0.157 17857 8293 1 16 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.527 -0.240 17857 8294 1 16 . 1 1 55 55 ASP C C 55 178.508 178.508 177.779 0.729 17857 8295 1 16 . 1 1 55 55 ASP CA C 55 57.618 57.618 56.051 1.567 17857 8296 1 16 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.726 0.501 17857 8297 1 16 . 1 1 55 55 ASP H H 55 8.456 8.456 8.269 0.187 17857 8298 1 16 . 1 1 56 56 LYS N N 56 117.890 117.890 120.580 -2.690 17857 8299 1 16 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.964 -0.029 17857 8300 1 16 . 1 1 56 56 LYS C C 56 179.509 179.509 178.404 1.105 17857 8301 1 16 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.242 0.647 17857 8302 1 16 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.017 0.503 17857 8303 1 16 . 1 1 56 56 LYS H H 56 7.921 7.921 7.155 0.766 17857 8304 1 16 . 1 1 57 57 VAL N N 57 119.196 119.196 118.527 0.669 17857 8305 1 16 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.940 -0.218 17857 8306 1 16 . 1 1 57 57 VAL C C 57 177.928 177.928 178.151 -0.223 17857 8307 1 16 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.314 0.904 17857 8308 1 16 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.566 0.765 17857 8309 1 16 . 1 1 57 57 VAL H H 57 7.292 7.292 7.380 -0.088 17857 8310 1 16 . 1 1 58 58 MET N N 58 115.902 115.902 118.324 -2.422 17857 8311 1 16 . 1 1 58 58 MET HA H 58 4.128 4.128 4.127 0.001 17857 8312 1 16 . 1 1 58 58 MET C C 58 178.952 178.952 177.769 1.183 17857 8313 1 16 . 1 1 58 58 MET CA C 58 57.582 57.582 58.573 -0.991 17857 8314 1 16 . 1 1 58 58 MET CB C 58 31.511 31.511 32.117 -0.606 17857 8315 1 16 . 1 1 58 58 MET H H 58 8.313 8.313 7.613 0.700 17857 8316 1 16 . 1 1 59 59 LYS N N 59 118.845 118.845 120.414 -1.569 17857 8317 1 16 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.913 0.159 17857 8318 1 16 . 1 1 59 59 LYS C C 59 179.149 179.149 178.608 0.541 17857 8319 1 16 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.954 -0.794 17857 8320 1 16 . 1 1 59 59 LYS CB C 59 32.545 32.545 31.918 0.627 17857 8321 1 16 . 1 1 59 59 LYS H H 59 8.563 8.563 8.444 0.119 17857 8322 1 16 . 1 1 60 60 GLU N N 60 119.868 119.868 118.403 1.465 17857 8323 1 16 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.106 -0.074 17857 8324 1 16 . 1 1 60 60 GLU C C 60 179.083 179.083 179.032 0.051 17857 8325 1 16 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.659 0.107 17857 8326 1 16 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.353 -0.596 17857 8327 1 16 . 1 1 60 60 GLU H H 60 7.467 7.467 7.677 -0.210 17857 8328 1 16 . 1 1 61 61 LEU N N 61 116.866 116.866 118.871 -2.005 17857 8329 1 16 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.118 -0.151 17857 8330 1 16 . 1 1 61 61 LEU C C 61 177.870 177.870 178.243 -0.373 17857 8331 1 16 . 1 1 61 61 LEU CA C 61 57.251 57.251 56.726 0.525 17857 8332 1 16 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.984 -1.214 17857 8333 1 16 . 1 1 61 61 LEU H H 61 7.597 7.597 7.802 -0.205 17857 8334 1 16 . 1 1 62 62 ASP N N 62 115.773 115.773 118.183 -2.410 17857 8335 1 16 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.380 0.107 17857 8336 1 16 . 1 1 62 62 ASP C C 62 178.871 178.871 178.699 0.172 17857 8337 1 16 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.976 -0.855 17857 8338 1 16 . 1 1 62 62 ASP CB C 62 41.826 41.826 41.206 0.619 17857 8339 1 16 . 1 1 62 62 ASP H H 62 7.509 7.509 8.025 -0.516 17857 8340 1 16 . 1 1 63 63 GLU N N 63 119.120 119.120 118.471 0.649 17857 8341 1 16 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.164 -0.033 17857 8342 1 16 . 1 1 63 63 GLU C C 63 176.937 176.937 176.823 0.114 17857 8343 1 16 . 1 1 63 63 GLU CA C 63 58.053 58.053 57.996 0.057 17857 8344 1 16 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.651 -0.532 17857 8345 1 16 . 1 1 63 63 GLU H H 63 8.068 8.068 8.095 -0.027 17857 8346 1 16 . 1 1 64 64 ASN N N 64 117.779 117.779 113.699 4.080 17857 8347 1 16 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.805 0.317 17857 8348 1 16 . 1 1 64 64 ASN C C 64 176.299 176.299 173.860 2.439 17857 8349 1 16 . 1 1 64 64 ASN CA C 64 52.221 52.221 52.850 -0.629 17857 8350 1 16 . 1 1 64 64 ASN CB C 64 38.943 38.943 40.082 -1.139 17857 8351 1 16 . 1 1 64 64 ASN H H 64 7.719 7.719 7.808 -0.089 17857 8352 1 16 . 1 1 65 65 GLY N N 65 106.860 106.860 109.923 -3.063 17857 8353 1 16 . 1 1 65 65 GLY C C 65 174.113 174.113 173.242 0.871 17857 8354 1 16 . 1 1 65 65 GLY CA C 65 47.965 47.965 45.176 2.789 17857 8355 1 16 . 1 1 65 65 GLY H H 65 7.705 7.705 8.743 -1.038 17857 8356 1 16 . 1 1 66 66 ASP N N 66 115.761 115.761 120.169 -4.408 17857 8357 1 16 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.708 0.129 17857 8358 1 16 . 1 1 66 66 ASP C C 66 177.865 177.865 175.321 2.544 17857 8359 1 16 . 1 1 66 66 ASP CA C 66 54.199 54.199 52.691 1.508 17857 8360 1 16 . 1 1 66 66 ASP CB C 66 40.784 40.784 42.681 -1.897 17857 8361 1 16 . 1 1 66 66 ASP H H 66 8.266 8.266 7.768 0.498 17857 8362 1 16 . 1 1 67 67 GLY N N 67 109.034 109.034 109.282 -0.248 17857 8363 1 16 . 1 1 67 67 GLY C C 67 172.364 172.364 172.787 -0.423 17857 8364 1 16 . 1 1 67 67 GLY CA C 67 45.136 45.136 45.232 -0.096 17857 8365 1 16 . 1 1 67 67 GLY H H 67 8.237 8.237 8.445 -0.208 17857 8366 1 16 . 1 1 68 68 GLU N N 68 117.964 117.964 121.306 -3.342 17857 8367 1 16 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.051 0.118 17857 8368 1 16 . 1 1 68 68 GLU C C 68 176.201 176.201 174.544 1.657 17857 8369 1 16 . 1 1 68 68 GLU CA C 68 55.328 55.328 54.677 0.651 17857 8370 1 16 . 1 1 68 68 GLU CB C 68 33.900 33.900 32.730 1.170 17857 8371 1 16 . 1 1 68 68 GLU H H 68 8.415 8.415 8.367 0.048 17857 8372 1 16 . 1 1 69 69 VAL N N 69 116.232 116.232 119.520 -3.288 17857 8373 1 16 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.415 0.486 17857 8374 1 16 . 1 1 69 69 VAL C C 69 174.378 174.378 174.633 -0.255 17857 8375 1 16 . 1 1 69 69 VAL CA C 69 59.551 59.551 61.182 -1.631 17857 8376 1 16 . 1 1 69 69 VAL CB C 69 35.098 35.098 34.913 0.185 17857 8377 1 16 . 1 1 69 69 VAL H H 69 9.134 9.134 8.778 0.356 17857 8378 1 16 . 1 1 70 70 ASP N N 70 121.337 121.337 125.609 -4.272 17857 8379 1 16 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.894 0.637 17857 8380 1 16 . 1 1 70 70 ASP C C 70 176.081 176.081 176.964 -0.883 17857 8381 1 16 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.261 -0.946 17857 8382 1 16 . 1 1 70 70 ASP CB C 70 42.873 42.873 43.948 -1.075 17857 8383 1 16 . 1 1 70 70 ASP H H 70 8.233 8.233 8.275 -0.042 17857 8384 1 16 . 1 1 71 71 PHE N N 71 119.131 119.131 122.710 -3.579 17857 8385 1 16 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.568 -0.119 17857 8386 1 16 . 1 1 71 71 PHE C C 71 176.693 176.693 176.625 0.068 17857 8387 1 16 . 1 1 71 71 PHE CA C 71 61.576 61.576 61.763 -0.187 17857 8388 1 16 . 1 1 71 71 PHE CB C 71 40.468 40.468 38.964 1.504 17857 8389 1 16 . 1 1 71 71 PHE H H 71 9.370 9.370 8.596 0.774 17857 8390 1 16 . 1 1 72 72 GLN N N 72 116.462 116.462 117.594 -1.132 17857 8391 1 16 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.848 -0.410 17857 8392 1 16 . 1 1 72 72 GLN C C 72 177.396 177.396 178.164 -0.768 17857 8393 1 16 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.554 1.213 17857 8394 1 16 . 1 1 72 72 GLN CB C 72 28.783 28.783 27.889 0.894 17857 8395 1 16 . 1 1 72 72 GLN H H 72 8.096 8.096 8.729 -0.633 17857 8396 1 16 . 1 1 73 73 GLU N N 73 119.541 119.541 118.359 1.182 17857 8397 1 16 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.097 -0.110 17857 8398 1 16 . 1 1 73 73 GLU C C 73 178.861 178.861 178.543 0.318 17857 8399 1 16 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.827 0.452 17857 8400 1 16 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.315 0.991 17857 8401 1 16 . 1 1 73 73 GLU H H 73 8.139 8.139 8.603 -0.464 17857 8402 1 16 . 1 1 74 74 TYR N N 74 122.065 122.065 121.342 0.723 17857 8403 1 16 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.279 0.043 17857 8404 1 16 . 1 1 74 74 TYR C C 74 175.562 175.562 176.990 -1.428 17857 8405 1 16 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.237 -0.910 17857 8406 1 16 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.935 -2.068 17857 8407 1 16 . 1 1 74 74 TYR H H 74 8.157 8.157 7.942 0.215 17857 8408 1 16 . 1 1 75 75 VAL N N 75 119.872 119.872 117.851 2.021 17857 8409 1 16 . 1 1 75 75 VAL HA H 75 2.670 2.670 2.903 -0.233 17857 8410 1 16 . 1 1 75 75 VAL C C 75 177.425 177.425 177.849 -0.424 17857 8411 1 16 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.537 1.464 17857 8412 1 16 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.106 0.595 17857 8413 1 16 . 1 1 75 75 VAL H H 75 7.915 7.915 8.042 -0.127 17857 8414 1 16 . 1 1 76 76 VAL N N 76 119.169 119.169 119.476 -0.307 17857 8415 1 16 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.619 -0.269 17857 8416 1 16 . 1 1 76 76 VAL C C 76 178.933 178.933 177.866 1.067 17857 8417 1 16 . 1 1 76 76 VAL CA C 76 66.800 66.800 65.335 1.464 17857 8418 1 16 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.012 0.589 17857 8419 1 16 . 1 1 76 76 VAL H H 76 7.545 7.545 7.387 0.158 17857 8420 1 16 . 1 1 77 77 LEU N N 77 121.356 121.356 120.361 0.995 17857 8421 1 16 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.923 0.256 17857 8422 1 16 . 1 1 77 77 LEU C C 77 179.226 179.226 178.694 0.532 17857 8423 1 16 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.776 0.496 17857 8424 1 16 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.864 0.128 17857 8425 1 16 . 1 1 77 77 LEU H H 77 7.789 7.789 7.113 0.676 17857 8426 1 16 . 1 1 78 78 VAL N N 78 119.358 119.358 117.160 2.198 17857 8427 1 16 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.563 -0.110 17857 8428 1 16 . 1 1 78 78 VAL C C 78 180.653 180.653 176.990 3.663 17857 8429 1 16 . 1 1 78 78 VAL CA C 78 67.253 67.253 65.481 1.772 17857 8430 1 16 . 1 1 78 78 VAL CB C 78 31.392 31.392 30.928 0.464 17857 8431 1 16 . 1 1 78 78 VAL H H 78 8.350 8.350 7.724 0.626 17857 8432 1 16 . 1 1 79 79 ALA N N 79 125.018 125.018 120.232 4.786 17857 8433 1 16 . 1 1 79 79 ALA HA H 79 4.038 4.038 3.962 0.076 17857 8434 1 16 . 1 1 79 79 ALA C C 79 178.321 178.321 178.116 0.205 17857 8435 1 16 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.438 2.643 17857 8436 1 16 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.467 -0.178 17857 8437 1 16 . 1 1 79 79 ALA H H 79 9.009 9.009 7.418 1.591 17857 8438 1 16 . 1 1 80 80 ALA N N 80 121.933 121.933 123.469 -1.536 17857 8439 1 16 . 1 1 80 80 ALA HA H 80 4.003 4.003 3.996 0.007 17857 8440 1 16 . 1 1 80 80 ALA C C 80 181.548 181.548 179.063 2.485 17857 8441 1 16 . 1 1 80 80 ALA CA C 80 55.419 55.419 55.011 0.408 17857 8442 1 16 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.103 -0.434 17857 8443 1 16 . 1 1 80 80 ALA H H 80 8.311 8.311 7.496 0.815 17857 8444 1 16 . 1 1 81 81 LEU N N 81 117.563 117.563 114.067 3.496 17857 8445 1 16 . 1 1 81 81 LEU HA H 81 4.033 4.033 4.010 0.023 17857 8446 1 16 . 1 1 81 81 LEU C C 81 178.536 178.536 178.425 0.111 17857 8447 1 16 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.184 0.479 17857 8448 1 16 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.181 0.772 17857 8449 1 16 . 1 1 81 81 LEU H H 81 8.056 8.056 7.540 0.516 17857 8450 1 16 . 1 1 82 82 THR N N 82 117.473 117.473 116.806 0.667 17857 8451 1 16 . 1 1 82 82 THR HA H 82 3.669 3.669 3.539 0.130 17857 8452 1 16 . 1 1 82 82 THR C C 82 176.658 176.658 176.478 0.180 17857 8453 1 16 . 1 1 82 82 THR CA C 82 68.836 68.836 65.739 3.097 17857 8454 1 16 . 1 1 82 82 THR CB C 82 67.515 67.515 68.384 -0.869 17857 8455 1 16 . 1 1 82 82 THR H H 82 8.299 8.299 7.284 1.015 17857 8456 1 16 . 1 1 83 83 VAL N N 83 121.111 121.111 121.452 -0.341 17857 8457 1 16 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.664 -0.538 17857 8458 1 16 . 1 1 83 83 VAL C C 83 176.323 176.323 177.447 -1.124 17857 8459 1 16 . 1 1 83 83 VAL CA C 83 65.247 65.247 66.211 -0.964 17857 8460 1 16 . 1 1 83 83 VAL CB C 83 31.022 31.022 30.950 0.072 17857 8461 1 16 . 1 1 83 83 VAL H H 83 7.953 7.953 7.994 -0.041 17857 8462 1 16 . 1 1 84 84 ALA N N 84 117.068 117.068 121.651 -4.583 17857 8463 1 16 . 1 1 84 84 ALA HA H 84 4.573 4.573 3.964 0.609 17857 8464 1 16 . 1 1 84 84 ALA C C 84 177.919 177.919 178.396 -0.477 17857 8465 1 16 . 1 1 84 84 ALA CA C 84 54.020 54.020 55.318 -1.298 17857 8466 1 16 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.512 2.431 17857 8467 1 16 . 1 1 84 84 ALA H H 84 7.105 7.105 7.675 -0.570 17857 8468 1 16 . 1 1 85 85 CYS N N 85 112.195 112.195 112.748 -0.553 17857 8469 1 16 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.493 0.047 17857 8470 1 16 . 1 1 85 85 CYS C C 85 173.282 173.282 175.996 -2.714 17857 8471 1 16 . 1 1 85 85 CYS CA C 85 60.342 60.342 58.182 2.160 17857 8472 1 16 . 1 1 85 85 CYS CB C 85 32.440 32.440 27.304 5.136 17857 8473 1 16 . 1 1 85 85 CYS H H 85 7.371 7.371 7.258 0.113 17857 8474 1 16 . 1 1 86 86 ASN N N 86 118.815 118.815 120.878 -2.063 17857 8475 1 16 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.543 -0.046 17857 8476 1 16 . 1 1 86 86 ASN CA C 86 54.737 54.737 55.666 -0.930 17857 8477 1 16 . 1 1 86 86 ASN CB C 86 42.130 42.130 38.887 3.243 17857 8478 1 16 . 1 1 86 86 ASN H H 86 8.347 8.347 8.213 0.134 17857 8479 1 16 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.613 -0.288 17857 8480 1 16 . 1 1 87 87 ASN C C 87 176.216 176.216 175.568 0.648 17857 8481 1 16 . 1 1 87 87 ASN CA C 87 56.570 56.570 54.247 2.323 17857 8482 1 16 . 1 1 87 87 ASN CB C 87 38.479 38.479 36.484 1.994 17857 8483 1 16 . 1 1 88 88 PHE N N 88 120.522 120.522 120.612 -0.090 17857 8484 1 16 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.386 -0.289 17857 8485 1 16 . 1 1 88 88 PHE C C 88 176.803 176.803 176.715 0.088 17857 8486 1 16 . 1 1 88 88 PHE CA C 88 61.023 61.023 60.710 0.313 17857 8487 1 16 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.320 0.362 17857 8488 1 16 . 1 1 88 88 PHE H H 88 8.642 8.642 8.622 0.020 17857 8489 1 16 . 1 1 89 89 PHE N N 89 112.727 112.727 119.017 -6.290 17857 8490 1 16 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.463 -0.660 17857 8491 1 16 . 1 1 89 89 PHE C C 89 173.691 173.691 175.599 -1.908 17857 8492 1 16 . 1 1 89 89 PHE CA C 89 59.208 59.208 59.138 0.070 17857 8493 1 16 . 1 1 89 89 PHE CB C 89 39.029 39.029 38.971 0.058 17857 8494 1 16 . 1 1 89 89 PHE H H 89 7.408 7.408 8.387 -0.979 17857 8495 1 16 . 1 1 90 90 TRP N N 90 118.731 118.731 118.975 -0.244 17857 8496 1 16 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.424 0.166 17857 8497 1 16 . 1 1 90 90 TRP C C 90 175.269 175.269 176.270 -1.001 17857 8498 1 16 . 1 1 90 90 TRP CA C 90 56.840 56.840 58.806 -1.966 17857 8499 1 16 . 1 1 90 90 TRP CB C 90 31.400 31.400 29.237 2.163 17857 8500 1 16 . 1 1 90 90 TRP H H 90 7.359 7.359 7.972 -0.613 17857 8501 1 16 . 1 1 91 91 GLU N N 91 121.302 121.302 117.631 3.671 17857 8502 1 16 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.413 -0.071 17857 8503 1 16 . 1 1 91 91 GLU C C 91 176.081 176.081 175.745 0.336 17857 8504 1 16 . 1 1 91 91 GLU CA C 91 56.857 56.857 55.346 1.510 17857 8505 1 16 . 1 1 91 91 GLU CB C 91 30.548 30.548 31.237 -0.689 17857 8506 1 16 . 1 1 91 91 GLU H H 91 7.766 7.766 8.000 -0.234 17857 8507 1 16 . 1 1 92 92 ASN N N 92 120.522 120.522 122.194 -1.672 17857 8508 1 16 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.348 0.419 17857 8509 1 16 . 1 1 92 92 ASN C C 92 174.283 174.283 175.397 -1.114 17857 8510 1 16 . 1 1 92 92 ASN CA C 92 53.407 53.407 52.917 0.490 17857 8511 1 16 . 1 1 92 92 ASN CB C 92 39.276 39.276 38.439 0.837 17857 8512 1 16 . 1 1 92 92 ASN H H 92 8.462 8.462 8.423 0.039 17857 8513 1 17 . 1 1 2 2 SER N N 2 118.698 118.698 116.717 1.981 17857 8514 1 17 . 1 1 2 2 SER HA H 2 4.691 4.691 4.692 -0.001 17857 8515 1 17 . 1 1 2 2 SER C C 2 175.496 175.496 175.841 -0.345 17857 8516 1 17 . 1 1 2 2 SER CA C 2 57.481 57.481 56.803 0.678 17857 8517 1 17 . 1 1 2 2 SER CB C 2 65.371 65.371 64.903 0.468 17857 8518 1 17 . 1 1 2 2 SER H H 2 9.211 9.211 8.400 0.811 17857 8519 1 17 . 1 1 3 3 GLU N N 3 122.860 122.860 123.521 -0.661 17857 8520 1 17 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.067 0.048 17857 8521 1 17 . 1 1 3 3 GLU C C 3 179.171 179.171 178.218 0.953 17857 8522 1 17 . 1 1 3 3 GLU CA C 3 60.757 60.757 59.339 1.418 17857 8523 1 17 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.547 -0.508 17857 8524 1 17 . 1 1 3 3 GLU H H 3 9.205 9.205 9.061 0.144 17857 8525 1 17 . 1 1 4 4 LEU N N 4 120.718 120.718 120.460 0.258 17857 8526 1 17 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.153 -0.117 17857 8527 1 17 . 1 1 4 4 LEU C C 4 178.360 178.360 178.327 0.033 17857 8528 1 17 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.816 0.095 17857 8529 1 17 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.867 0.495 17857 8530 1 17 . 1 1 4 4 LEU H H 4 8.854 8.854 7.873 0.981 17857 8531 1 17 . 1 1 5 5 GLU N N 5 118.542 118.542 117.484 1.058 17857 8532 1 17 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.994 -0.739 17857 8533 1 17 . 1 1 5 5 GLU C C 5 179.204 179.204 178.905 0.299 17857 8534 1 17 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.683 0.134 17857 8535 1 17 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.299 -0.096 17857 8536 1 17 . 1 1 5 5 GLU H H 5 7.791 7.791 8.305 -0.514 17857 8537 1 17 . 1 1 6 6 THR N N 6 115.783 115.783 113.873 1.910 17857 8538 1 17 . 1 1 6 6 THR HA H 6 4.017 4.017 4.226 -0.209 17857 8539 1 17 . 1 1 6 6 THR C C 6 176.807 176.807 175.865 0.942 17857 8540 1 17 . 1 1 6 6 THR CA C 6 66.668 66.668 64.150 2.518 17857 8541 1 17 . 1 1 6 6 THR CB C 6 68.763 68.763 68.789 -0.026 17857 8542 1 17 . 1 1 6 6 THR H H 6 8.371 8.371 7.985 0.386 17857 8543 1 17 . 1 1 7 7 ALA N N 7 125.707 125.707 124.751 0.956 17857 8544 1 17 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.040 0.232 17857 8545 1 17 . 1 1 7 7 ALA C C 7 179.856 179.856 179.694 0.162 17857 8546 1 17 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.203 0.499 17857 8547 1 17 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.274 -0.044 17857 8548 1 17 . 1 1 7 7 ALA H H 7 8.267 8.267 7.649 0.618 17857 8549 1 17 . 1 1 8 8 MET N N 8 115.222 115.222 115.281 -0.059 17857 8550 1 17 . 1 1 8 8 MET HA H 8 4.858 4.858 4.446 0.412 17857 8551 1 17 . 1 1 8 8 MET C C 8 179.635 179.635 178.487 1.148 17857 8552 1 17 . 1 1 8 8 MET CA C 8 56.669 56.669 56.243 0.426 17857 8553 1 17 . 1 1 8 8 MET CB C 8 29.136 29.136 31.210 -2.074 17857 8554 1 17 . 1 1 8 8 MET H H 8 8.106 8.106 7.649 0.457 17857 8555 1 17 . 1 1 9 9 GLU N N 9 120.456 120.456 119.656 0.800 17857 8556 1 17 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.060 0.055 17857 8557 1 17 . 1 1 9 9 GLU C C 9 179.531 179.531 179.503 0.028 17857 8558 1 17 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.292 1.339 17857 8559 1 17 . 1 1 9 9 GLU CB C 9 28.977 28.977 28.934 0.043 17857 8560 1 17 . 1 1 9 9 GLU H H 9 8.658 8.658 7.926 0.732 17857 8561 1 17 . 1 1 10 10 THR N N 10 118.547 118.547 115.850 2.697 17857 8562 1 17 . 1 1 10 10 THR HA H 10 4.116 4.116 4.147 -0.031 17857 8563 1 17 . 1 1 10 10 THR C C 10 175.942 175.942 176.238 -0.296 17857 8564 1 17 . 1 1 10 10 THR CA C 10 67.521 67.521 66.414 1.107 17857 8565 1 17 . 1 1 10 10 THR CB C 10 67.933 67.933 68.866 -0.933 17857 8566 1 17 . 1 1 10 10 THR H H 10 8.417 8.417 7.919 0.498 17857 8567 1 17 . 1 1 11 11 LEU N N 11 121.715 121.715 122.839 -1.124 17857 8568 1 17 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.288 -0.221 17857 8569 1 17 . 1 1 11 11 LEU C C 11 181.784 181.784 179.137 2.647 17857 8570 1 17 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.370 2.073 17857 8571 1 17 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.137 -0.144 17857 8572 1 17 . 1 1 11 11 LEU H H 11 8.324 8.324 7.393 0.931 17857 8573 1 17 . 1 1 12 12 ILE N N 12 121.081 121.081 119.314 1.767 17857 8574 1 17 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.837 -0.273 17857 8575 1 17 . 1 1 12 12 ILE C C 12 176.221 176.221 177.180 -0.959 17857 8576 1 17 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.726 1.452 17857 8577 1 17 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.745 0.650 17857 8578 1 17 . 1 1 12 12 ILE H H 12 8.419 8.419 8.125 0.294 17857 8579 1 17 . 1 1 13 13 ASN N N 13 120.254 120.254 118.215 2.039 17857 8580 1 17 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.447 -0.077 17857 8581 1 17 . 1 1 13 13 ASN C C 13 179.124 179.124 177.790 1.334 17857 8582 1 17 . 1 1 13 13 ASN CA C 13 56.615 56.615 56.279 0.336 17857 8583 1 17 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.225 -0.070 17857 8584 1 17 . 1 1 13 13 ASN H H 13 8.593 8.593 7.915 0.678 17857 8585 1 17 . 1 1 14 14 VAL N N 14 121.599 121.599 119.316 2.283 17857 8586 1 17 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.798 0.058 17857 8587 1 17 . 1 1 14 14 VAL C C 14 177.155 177.155 177.355 -0.200 17857 8588 1 17 . 1 1 14 14 VAL CA C 14 66.705 66.705 65.671 1.034 17857 8589 1 17 . 1 1 14 14 VAL CB C 14 31.884 31.884 32.105 -0.221 17857 8590 1 17 . 1 1 14 14 VAL H H 14 8.838 8.838 7.654 1.184 17857 8591 1 17 . 1 1 15 15 PHE N N 15 120.139 120.139 121.522 -1.383 17857 8592 1 17 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.911 -0.312 17857 8593 1 17 . 1 1 15 15 PHE C C 15 177.601 177.601 177.309 0.292 17857 8594 1 17 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.391 0.008 17857 8595 1 17 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.285 0.346 17857 8596 1 17 . 1 1 15 15 PHE H H 15 7.456 7.456 8.062 -0.606 17857 8597 1 17 . 1 1 16 16 HIS N N 16 118.175 118.175 117.187 0.988 17857 8598 1 17 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.321 0.822 17857 8599 1 17 . 1 1 16 16 HIS C C 16 177.972 177.972 177.662 0.310 17857 8600 1 17 . 1 1 16 16 HIS CA C 16 55.795 55.795 59.386 -3.591 17857 8601 1 17 . 1 1 16 16 HIS CB C 16 30.327 30.327 29.696 0.631 17857 8602 1 17 . 1 1 16 16 HIS H H 16 9.137 9.137 9.075 0.062 17857 8603 1 17 . 1 1 17 17 ALA N N 17 121.734 121.734 120.753 0.981 17857 8604 1 17 . 1 1 17 17 ALA HA H 17 3.820 3.820 3.998 -0.178 17857 8605 1 17 . 1 1 17 17 ALA C C 17 178.713 178.713 178.238 0.475 17857 8606 1 17 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.369 0.248 17857 8607 1 17 . 1 1 17 17 ALA CB C 17 17.700 17.700 18.323 -0.623 17857 8608 1 17 . 1 1 17 17 ALA H H 17 8.133 8.133 7.545 0.588 17857 8609 1 17 . 1 1 18 18 HIS N N 18 113.408 113.408 115.437 -2.029 17857 8610 1 17 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.609 -0.289 17857 8611 1 17 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.490 0.347 17857 8612 1 17 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.542 2.106 17857 8613 1 17 . 1 1 18 18 HIS H H 18 7.286 7.286 7.714 -0.428 17857 8614 1 17 . 1 1 19 19 SER N N 19 120.877 120.877 115.096 5.781 17857 8615 1 17 . 1 1 19 19 SER HA H 19 4.124 4.124 4.002 0.122 17857 8616 1 17 . 1 1 19 19 SER C C 19 176.676 176.676 175.383 1.293 17857 8617 1 17 . 1 1 19 19 SER CA C 19 60.979 60.979 60.594 0.385 17857 8618 1 17 . 1 1 19 19 SER CB C 19 61.813 61.813 63.303 -1.490 17857 8619 1 17 . 1 1 19 19 SER H H 19 9.322 9.322 7.990 1.332 17857 8620 1 17 . 1 1 20 20 GLY N N 20 107.206 107.206 111.033 -3.827 17857 8621 1 17 . 1 1 20 20 GLY C C 20 174.913 174.913 173.665 1.248 17857 8622 1 17 . 1 1 20 20 GLY CA C 20 45.281 45.281 44.362 0.919 17857 8623 1 17 . 1 1 20 20 GLY H H 20 8.233 8.233 7.411 0.822 17857 8624 1 17 . 1 1 21 21 LYS N N 21 118.717 118.717 118.362 0.355 17857 8625 1 17 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.011 0.030 17857 8626 1 17 . 1 1 21 21 LYS C C 21 176.623 176.623 175.162 1.461 17857 8627 1 17 . 1 1 21 21 LYS CA C 21 58.185 58.185 57.195 0.990 17857 8628 1 17 . 1 1 21 21 LYS CB C 21 33.157 33.157 31.829 1.328 17857 8629 1 17 . 1 1 21 21 LYS H H 21 7.333 7.333 8.234 -0.901 17857 8630 1 17 . 1 1 22 22 GLU N N 22 116.257 116.257 119.279 -3.022 17857 8631 1 17 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.309 0.132 17857 8632 1 17 . 1 1 22 22 GLU C C 22 175.554 175.554 176.802 -1.248 17857 8633 1 17 . 1 1 22 22 GLU CA C 22 55.488 55.488 55.977 -0.489 17857 8634 1 17 . 1 1 22 22 GLU CB C 22 31.892 31.892 30.064 1.828 17857 8635 1 17 . 1 1 22 22 GLU H H 22 7.603 7.603 8.358 -0.755 17857 8636 1 17 . 1 1 23 23 GLY N N 23 108.614 108.614 111.059 -2.445 17857 8637 1 17 . 1 1 23 23 GLY C C 23 173.976 173.976 173.679 0.297 17857 8638 1 17 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.333 1.691 17857 8639 1 17 . 1 1 23 23 GLY H H 23 8.261 8.261 8.343 -0.082 17857 8640 1 17 . 1 1 24 24 ASP N N 24 124.252 124.252 120.260 3.992 17857 8641 1 17 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.615 -0.056 17857 8642 1 17 . 1 1 24 24 ASP C C 24 177.376 177.376 176.701 0.675 17857 8643 1 17 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.519 -0.695 17857 8644 1 17 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.672 1.020 17857 8645 1 17 . 1 1 24 24 ASP H H 24 8.313 8.313 8.568 -0.255 17857 8646 1 17 . 1 1 25 25 LYS N N 25 125.006 125.006 120.016 4.990 17857 8647 1 17 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.302 -0.165 17857 8648 1 17 . 1 1 25 25 LYS C C 25 175.980 175.980 176.878 -0.898 17857 8649 1 17 . 1 1 25 25 LYS CA C 25 57.436 57.436 57.506 -0.070 17857 8650 1 17 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.965 -0.620 17857 8651 1 17 . 1 1 25 25 LYS H H 25 8.327 8.327 8.437 -0.110 17857 8652 1 17 . 1 1 26 26 TYR N N 26 117.300 117.300 117.100 0.200 17857 8653 1 17 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.419 0.667 17857 8654 1 17 . 1 1 26 26 TYR C C 26 175.592 175.592 176.103 -0.511 17857 8655 1 17 . 1 1 26 26 TYR CA C 26 57.552 57.552 59.371 -1.819 17857 8656 1 17 . 1 1 26 26 TYR CB C 26 38.052 38.052 38.984 -0.932 17857 8657 1 17 . 1 1 26 26 TYR H H 26 8.490 8.490 7.937 0.553 17857 8658 1 17 . 1 1 27 27 LYS N N 27 117.820 117.820 117.807 0.013 17857 8659 1 17 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.694 0.809 17857 8660 1 17 . 1 1 27 27 LYS C C 27 174.259 174.259 175.457 -1.198 17857 8661 1 17 . 1 1 27 27 LYS CA C 27 54.094 54.094 55.458 -1.364 17857 8662 1 17 . 1 1 27 27 LYS CB C 27 37.626 37.626 34.319 3.307 17857 8663 1 17 . 1 1 27 27 LYS H H 27 7.793 7.793 7.663 0.130 17857 8664 1 17 . 1 1 28 28 LEU N N 28 120.282 120.282 121.198 -0.916 17857 8665 1 17 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.731 0.017 17857 8666 1 17 . 1 1 28 28 LEU C C 28 176.038 176.038 175.387 0.651 17857 8667 1 17 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.444 -0.402 17857 8668 1 17 . 1 1 28 28 LEU CB C 28 46.382 46.382 46.070 0.312 17857 8669 1 17 . 1 1 28 28 LEU H H 28 8.692 8.692 8.112 0.580 17857 8670 1 17 . 1 1 29 29 SER N N 29 119.669 119.669 119.650 0.019 17857 8671 1 17 . 1 1 29 29 SER HA H 29 5.121 5.121 4.622 0.499 17857 8672 1 17 . 1 1 29 29 SER C C 29 175.936 175.936 174.809 1.127 17857 8673 1 17 . 1 1 29 29 SER CA C 29 57.760 57.760 58.826 -1.066 17857 8674 1 17 . 1 1 29 29 SER CB C 29 64.689 64.689 64.099 0.590 17857 8675 1 17 . 1 1 29 29 SER H H 29 8.797 8.797 8.615 0.182 17857 8676 1 17 . 1 1 30 30 LYS N N 30 124.194 124.194 121.254 2.940 17857 8677 1 17 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.268 -0.407 17857 8678 1 17 . 1 1 30 30 LYS C C 30 178.523 178.523 178.489 0.034 17857 8679 1 17 . 1 1 30 30 LYS CA C 30 61.591 61.591 58.318 3.273 17857 8680 1 17 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.641 -0.637 17857 8681 1 17 . 1 1 30 30 LYS H H 30 8.842 8.842 8.533 0.309 17857 8682 1 17 . 1 1 31 31 LYS N N 31 119.922 119.922 118.756 1.166 17857 8683 1 17 . 1 1 31 31 LYS HA H 31 4.157 4.157 4.012 0.145 17857 8684 1 17 . 1 1 31 31 LYS C C 31 179.293 179.293 179.278 0.015 17857 8685 1 17 . 1 1 31 31 LYS CA C 31 59.426 59.426 58.937 0.489 17857 8686 1 17 . 1 1 31 31 LYS CB C 31 32.586 32.586 31.616 0.969 17857 8687 1 17 . 1 1 31 31 LYS H H 31 8.786 8.786 8.361 0.425 17857 8688 1 17 . 1 1 32 32 GLN N N 32 119.859 119.859 118.020 1.839 17857 8689 1 17 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.039 0.078 17857 8690 1 17 . 1 1 32 32 GLN C C 32 179.272 179.272 178.081 1.191 17857 8691 1 17 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.205 -0.027 17857 8692 1 17 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.128 0.692 17857 8693 1 17 . 1 1 32 32 GLN H H 32 7.769 7.769 7.541 0.228 17857 8694 1 17 . 1 1 33 33 LEU N N 33 122.146 122.146 120.994 1.152 17857 8695 1 17 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.978 0.067 17857 8696 1 17 . 1 1 33 33 LEU C C 33 177.408 177.408 178.283 -0.875 17857 8697 1 17 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.827 -1.492 17857 8698 1 17 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.786 -1.239 17857 8699 1 17 . 1 1 33 33 LEU H H 33 8.918 8.918 7.493 1.425 17857 8700 1 17 . 1 1 34 34 LYS N N 34 120.726 120.726 116.499 4.227 17857 8701 1 17 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.962 -0.336 17857 8702 1 17 . 1 1 34 34 LYS C C 34 177.675 177.675 179.126 -1.451 17857 8703 1 17 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.519 1.466 17857 8704 1 17 . 1 1 34 34 LYS CB C 34 32.000 32.000 31.885 0.115 17857 8705 1 17 . 1 1 34 34 LYS H H 34 8.423 8.423 7.869 0.554 17857 8706 1 17 . 1 1 35 35 GLU N N 35 116.999 116.999 119.200 -2.201 17857 8707 1 17 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.210 -0.140 17857 8708 1 17 . 1 1 35 35 GLU C C 35 179.003 179.003 178.773 0.230 17857 8709 1 17 . 1 1 35 35 GLU CA C 35 59.502 59.502 58.364 1.138 17857 8710 1 17 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.862 -0.467 17857 8711 1 17 . 1 1 35 35 GLU H H 35 7.186 7.186 7.780 -0.594 17857 8712 1 17 . 1 1 36 36 LEU N N 36 122.908 122.908 119.650 3.258 17857 8713 1 17 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.236 -0.523 17857 8714 1 17 . 1 1 36 36 LEU C C 36 178.810 178.810 178.883 -0.073 17857 8715 1 17 . 1 1 36 36 LEU CA C 36 59.433 59.433 57.734 1.699 17857 8716 1 17 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.233 1.069 17857 8717 1 17 . 1 1 36 36 LEU H H 36 8.141 8.141 8.635 -0.494 17857 8718 1 17 . 1 1 37 37 LEU N N 37 119.746 119.746 121.050 -1.304 17857 8719 1 17 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.812 -0.123 17857 8720 1 17 . 1 1 37 37 LEU C C 37 178.128 178.128 179.112 -0.984 17857 8721 1 17 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.577 -0.161 17857 8722 1 17 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.439 0.084 17857 8723 1 17 . 1 1 37 37 LEU H H 37 8.772 8.772 8.751 0.021 17857 8724 1 17 . 1 1 38 38 GLN N N 38 113.312 113.312 117.365 -4.053 17857 8725 1 17 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.124 -0.357 17857 8726 1 17 . 1 1 38 38 GLN C C 38 177.536 177.536 178.393 -0.857 17857 8727 1 17 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.677 0.109 17857 8728 1 17 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.815 0.199 17857 8729 1 17 . 1 1 38 38 GLN H H 38 8.082 8.082 8.086 -0.004 17857 8730 1 17 . 1 1 39 39 THR N N 39 109.779 109.779 114.570 -4.791 17857 8731 1 17 . 1 1 39 39 THR HA H 39 4.312 4.312 3.980 0.332 17857 8732 1 17 . 1 1 39 39 THR C C 39 176.802 176.802 175.964 0.838 17857 8733 1 17 . 1 1 39 39 THR CA C 39 64.576 64.576 65.388 -0.812 17857 8734 1 17 . 1 1 39 39 THR CB C 39 69.847 69.847 68.798 1.049 17857 8735 1 17 . 1 1 39 39 THR H H 39 7.683 7.683 7.779 -0.096 17857 8736 1 17 . 1 1 40 40 GLU N N 40 118.440 118.440 118.933 -0.493 17857 8737 1 17 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.299 0.417 17857 8738 1 17 . 1 1 40 40 GLU C C 40 177.106 177.106 178.010 -0.904 17857 8739 1 17 . 1 1 40 40 GLU CA C 40 56.922 56.922 58.180 -1.258 17857 8740 1 17 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.271 -0.010 17857 8741 1 17 . 1 1 40 40 GLU H H 40 8.971 8.971 8.379 0.592 17857 8742 1 17 . 1 1 41 41 LEU N N 41 119.219 119.219 118.939 0.280 17857 8743 1 17 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.485 0.643 17857 8744 1 17 . 1 1 41 41 LEU C C 41 177.669 177.669 177.455 0.214 17857 8745 1 17 . 1 1 41 41 LEU CA C 41 53.300 53.300 55.410 -2.110 17857 8746 1 17 . 1 1 41 41 LEU CB C 41 42.208 42.208 43.085 -0.877 17857 8747 1 17 . 1 1 41 41 LEU H H 41 7.733 7.733 8.121 -0.388 17857 8748 1 17 . 1 1 42 42 SER N N 42 112.897 112.897 112.617 0.280 17857 8749 1 17 . 1 1 42 42 SER HA H 42 3.880 3.880 4.167 -0.287 17857 8750 1 17 . 1 1 42 42 SER C C 42 176.429 176.429 174.353 2.076 17857 8751 1 17 . 1 1 42 42 SER CA C 42 61.867 61.867 59.635 2.232 17857 8752 1 17 . 1 1 42 42 SER CB C 42 62.864 62.864 62.632 0.232 17857 8753 1 17 . 1 1 42 42 SER H H 42 6.915 6.915 8.491 -1.576 17857 8754 1 17 . 1 1 43 43 GLY N N 43 114.357 114.357 105.527 8.830 17857 8755 1 17 . 1 1 43 43 GLY C C 43 178.051 178.051 174.323 3.728 17857 8756 1 17 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.216 1.628 17857 8757 1 17 . 1 1 43 43 GLY H H 43 9.244 9.244 8.254 0.990 17857 8758 1 17 . 1 1 44 44 PHE N N 44 124.297 124.297 120.776 3.521 17857 8759 1 17 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.326 0.267 17857 8760 1 17 . 1 1 44 44 PHE C C 44 178.168 178.168 178.212 -0.044 17857 8761 1 17 . 1 1 44 44 PHE CA C 44 57.510 57.510 60.096 -2.586 17857 8762 1 17 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.477 -2.334 17857 8763 1 17 . 1 1 44 44 PHE H H 44 8.273 8.273 8.195 0.078 17857 8764 1 17 . 1 1 45 45 LEU N N 45 116.097 116.097 114.106 1.991 17857 8765 1 17 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.328 -0.152 17857 8766 1 17 . 1 1 45 45 LEU C C 45 179.069 179.069 177.630 1.439 17857 8767 1 17 . 1 1 45 45 LEU CA C 45 57.580 57.580 56.716 0.864 17857 8768 1 17 . 1 1 45 45 LEU CB C 45 41.377 41.377 41.012 0.365 17857 8769 1 17 . 1 1 45 45 LEU H H 45 8.559 8.559 7.813 0.746 17857 8770 1 17 . 1 1 46 46 ASP N N 46 119.849 119.849 120.536 -0.687 17857 8771 1 17 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.524 0.189 17857 8772 1 17 . 1 1 46 46 ASP C C 46 176.152 176.152 175.940 0.212 17857 8773 1 17 . 1 1 46 46 ASP CA C 46 55.845 55.845 55.984 -0.139 17857 8774 1 17 . 1 1 46 46 ASP CB C 46 41.640 41.640 40.441 1.200 17857 8775 1 17 . 1 1 46 46 ASP H H 46 7.707 7.707 7.748 -0.041 17857 8776 1 17 . 1 1 47 47 ALA N N 47 124.027 124.027 121.730 2.297 17857 8777 1 17 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.644 -0.036 17857 8778 1 17 . 1 1 47 47 ALA C C 47 176.271 176.271 175.854 0.417 17857 8779 1 17 . 1 1 47 47 ALA CA C 47 50.721 50.721 51.684 -0.963 17857 8780 1 17 . 1 1 47 47 ALA CB C 47 18.985 18.985 19.847 -0.862 17857 8781 1 17 . 1 1 47 47 ALA H H 47 7.710 7.710 7.242 0.468 17857 8782 1 17 . 1 1 48 48 GLN N N 48 117.138 117.138 117.997 -0.859 17857 8783 1 17 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.314 -0.199 17857 8784 1 17 . 1 1 48 48 GLN C C 48 175.907 175.907 175.084 0.823 17857 8785 1 17 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.510 1.564 17857 8786 1 17 . 1 1 48 48 GLN CB C 48 30.504 30.504 29.972 0.532 17857 8787 1 17 . 1 1 48 48 GLN H H 48 7.562 7.562 7.658 -0.096 17857 8788 1 17 . 1 1 49 49 LYS N N 49 121.265 121.265 120.287 0.978 17857 8789 1 17 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.489 -0.340 17857 8790 1 17 . 1 1 49 49 LYS C C 49 176.157 176.157 176.483 -0.326 17857 8791 1 17 . 1 1 49 49 LYS CA C 49 56.337 56.337 56.150 0.187 17857 8792 1 17 . 1 1 49 49 LYS CB C 49 31.231 31.231 33.598 -2.367 17857 8793 1 17 . 1 1 49 49 LYS H H 49 7.974 7.974 8.507 -0.533 17857 8794 1 17 . 1 1 50 50 ASP N N 50 119.019 119.019 122.756 -3.737 17857 8795 1 17 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.479 0.203 17857 8796 1 17 . 1 1 50 50 ASP C C 50 175.466 175.466 177.075 -1.609 17857 8797 1 17 . 1 1 50 50 ASP CA C 50 51.810 51.810 55.375 -3.565 17857 8798 1 17 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.048 -1.093 17857 8799 1 17 . 1 1 50 50 ASP H H 50 7.523 7.523 8.284 -0.761 17857 8800 1 17 . 1 1 51 51 VAL N N 51 121.906 121.906 122.425 -0.519 17857 8801 1 17 . 1 1 51 51 VAL HA H 51 3.861 3.861 3.921 -0.060 17857 8802 1 17 . 1 1 51 51 VAL C C 51 178.158 178.158 177.080 1.078 17857 8803 1 17 . 1 1 51 51 VAL CA C 51 64.804 64.804 64.373 0.431 17857 8804 1 17 . 1 1 51 51 VAL CB C 51 31.831 31.831 32.241 -0.410 17857 8805 1 17 . 1 1 51 51 VAL H H 51 7.618 7.618 8.125 -0.507 17857 8806 1 17 . 1 1 52 52 ASP N N 52 119.692 119.692 121.859 -2.167 17857 8807 1 17 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.353 0.006 17857 8808 1 17 . 1 1 52 52 ASP C C 52 178.427 178.427 178.057 0.370 17857 8809 1 17 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.092 0.267 17857 8810 1 17 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.204 1.717 17857 8811 1 17 . 1 1 52 52 ASP H H 52 8.081 8.081 8.458 -0.377 17857 8812 1 17 . 1 1 53 53 ALA N N 53 122.046 122.046 121.958 0.088 17857 8813 1 17 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.059 -0.039 17857 8814 1 17 . 1 1 53 53 ALA C C 53 180.602 180.602 179.852 0.750 17857 8815 1 17 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.818 -0.088 17857 8816 1 17 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.068 0.799 17857 8817 1 17 . 1 1 53 53 ALA H H 53 7.538 7.538 8.227 -0.689 17857 8818 1 17 . 1 1 54 54 VAL N N 54 117.817 117.817 116.360 1.457 17857 8819 1 17 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.668 -0.318 17857 8820 1 17 . 1 1 54 54 VAL C C 54 177.718 177.718 177.670 0.048 17857 8821 1 17 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.817 0.850 17857 8822 1 17 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.177 0.538 17857 8823 1 17 . 1 1 54 54 VAL H H 54 7.286 7.286 7.975 -0.689 17857 8824 1 17 . 1 1 55 55 ASP N N 55 119.601 119.601 120.772 -1.171 17857 8825 1 17 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.375 -0.088 17857 8826 1 17 . 1 1 55 55 ASP C C 55 178.508 178.508 177.994 0.514 17857 8827 1 17 . 1 1 55 55 ASP CA C 55 57.618 57.618 57.417 0.201 17857 8828 1 17 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.758 0.470 17857 8829 1 17 . 1 1 55 55 ASP H H 55 8.456 8.456 8.182 0.274 17857 8830 1 17 . 1 1 56 56 LYS N N 56 117.890 117.890 120.453 -2.563 17857 8831 1 17 . 1 1 56 56 LYS HA H 56 3.935 3.935 4.013 -0.078 17857 8832 1 17 . 1 1 56 56 LYS C C 56 179.509 179.509 178.813 0.696 17857 8833 1 17 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.272 0.617 17857 8834 1 17 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.047 0.473 17857 8835 1 17 . 1 1 56 56 LYS H H 56 7.921 7.921 7.739 0.182 17857 8836 1 17 . 1 1 57 57 VAL N N 57 119.196 119.196 118.933 0.263 17857 8837 1 17 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.662 0.060 17857 8838 1 17 . 1 1 57 57 VAL C C 57 177.928 177.928 177.780 0.148 17857 8839 1 17 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.848 0.370 17857 8840 1 17 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.472 0.859 17857 8841 1 17 . 1 1 57 57 VAL H H 57 7.292 7.292 7.301 -0.009 17857 8842 1 17 . 1 1 58 58 MET N N 58 115.902 115.902 117.619 -1.717 17857 8843 1 17 . 1 1 58 58 MET HA H 58 4.128 4.128 4.102 0.026 17857 8844 1 17 . 1 1 58 58 MET C C 58 178.952 178.952 178.164 0.788 17857 8845 1 17 . 1 1 58 58 MET CA C 58 57.582 57.582 58.923 -1.341 17857 8846 1 17 . 1 1 58 58 MET CB C 58 31.511 31.511 32.305 -0.794 17857 8847 1 17 . 1 1 58 58 MET H H 58 8.313 8.313 7.360 0.953 17857 8848 1 17 . 1 1 59 59 LYS N N 59 118.845 118.845 120.545 -1.700 17857 8849 1 17 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.859 0.213 17857 8850 1 17 . 1 1 59 59 LYS C C 59 179.149 179.149 178.521 0.628 17857 8851 1 17 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.795 -0.635 17857 8852 1 17 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.226 0.319 17857 8853 1 17 . 1 1 59 59 LYS H H 59 8.563 8.563 8.344 0.219 17857 8854 1 17 . 1 1 60 60 GLU N N 60 119.868 119.868 117.816 2.052 17857 8855 1 17 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.098 -0.066 17857 8856 1 17 . 1 1 60 60 GLU C C 60 179.083 179.083 179.215 -0.132 17857 8857 1 17 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.331 0.435 17857 8858 1 17 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.260 -0.503 17857 8859 1 17 . 1 1 60 60 GLU H H 60 7.467 7.467 7.857 -0.390 17857 8860 1 17 . 1 1 61 61 LEU N N 61 116.866 116.866 117.970 -1.104 17857 8861 1 17 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.166 -0.199 17857 8862 1 17 . 1 1 61 61 LEU C C 61 177.870 177.870 178.919 -1.049 17857 8863 1 17 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.109 0.142 17857 8864 1 17 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.686 -0.916 17857 8865 1 17 . 1 1 61 61 LEU H H 61 7.597 7.597 7.513 0.084 17857 8866 1 17 . 1 1 62 62 ASP N N 62 115.773 115.773 118.944 -3.171 17857 8867 1 17 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.489 -0.002 17857 8868 1 17 . 1 1 62 62 ASP C C 62 178.871 178.871 178.681 0.190 17857 8869 1 17 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.519 -0.398 17857 8870 1 17 . 1 1 62 62 ASP CB C 62 41.826 41.826 41.161 0.665 17857 8871 1 17 . 1 1 62 62 ASP H H 62 7.509 7.509 7.667 -0.158 17857 8872 1 17 . 1 1 63 63 GLU N N 63 119.120 119.120 119.051 0.069 17857 8873 1 17 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.131 0.000 17857 8874 1 17 . 1 1 63 63 GLU C C 63 176.937 176.937 177.120 -0.183 17857 8875 1 17 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.312 -0.259 17857 8876 1 17 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.414 -0.295 17857 8877 1 17 . 1 1 63 63 GLU H H 63 8.068 8.068 8.264 -0.196 17857 8878 1 17 . 1 1 64 64 ASN N N 64 117.779 117.779 114.974 2.805 17857 8879 1 17 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.936 0.186 17857 8880 1 17 . 1 1 64 64 ASN C C 64 176.299 176.299 175.004 1.295 17857 8881 1 17 . 1 1 64 64 ASN CA C 64 52.221 52.221 52.346 -0.125 17857 8882 1 17 . 1 1 64 64 ASN CB C 64 38.943 38.943 38.941 0.002 17857 8883 1 17 . 1 1 64 64 ASN H H 64 7.719 7.719 7.652 0.067 17857 8884 1 17 . 1 1 65 65 GLY N N 65 106.860 106.860 108.916 -2.056 17857 8885 1 17 . 1 1 65 65 GLY C C 65 174.113 174.113 173.861 0.252 17857 8886 1 17 . 1 1 65 65 GLY CA C 65 47.965 47.965 46.513 1.452 17857 8887 1 17 . 1 1 65 65 GLY H H 65 7.705 7.705 8.667 -0.962 17857 8888 1 17 . 1 1 66 66 ASP N N 66 115.761 115.761 120.420 -4.659 17857 8889 1 17 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.774 0.063 17857 8890 1 17 . 1 1 66 66 ASP C C 66 177.865 177.865 175.499 2.366 17857 8891 1 17 . 1 1 66 66 ASP CA C 66 54.199 54.199 54.507 -0.308 17857 8892 1 17 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.755 -0.971 17857 8893 1 17 . 1 1 66 66 ASP H H 66 8.266 8.266 7.812 0.454 17857 8894 1 17 . 1 1 67 67 GLY N N 67 109.034 109.034 109.502 -0.468 17857 8895 1 17 . 1 1 67 67 GLY C C 67 172.364 172.364 171.623 0.741 17857 8896 1 17 . 1 1 67 67 GLY CA C 67 45.136 45.136 44.763 0.373 17857 8897 1 17 . 1 1 67 67 GLY H H 67 8.237 8.237 8.002 0.235 17857 8898 1 17 . 1 1 68 68 GLU N N 68 117.964 117.964 118.873 -0.909 17857 8899 1 17 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.377 -0.208 17857 8900 1 17 . 1 1 68 68 GLU C C 68 176.201 176.201 175.587 0.614 17857 8901 1 17 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.140 0.188 17857 8902 1 17 . 1 1 68 68 GLU CB C 68 33.900 33.900 33.648 0.252 17857 8903 1 17 . 1 1 68 68 GLU H H 68 8.415 8.415 8.389 0.026 17857 8904 1 17 . 1 1 69 69 VAL N N 69 116.232 116.232 115.901 0.331 17857 8905 1 17 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.967 -0.066 17857 8906 1 17 . 1 1 69 69 VAL C C 69 174.378 174.378 174.446 -0.068 17857 8907 1 17 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.684 -0.133 17857 8908 1 17 . 1 1 69 69 VAL CB C 69 35.098 35.098 34.586 0.512 17857 8909 1 17 . 1 1 69 69 VAL H H 69 9.134 9.134 9.015 0.119 17857 8910 1 17 . 1 1 70 70 ASP N N 70 121.337 121.337 121.665 -0.328 17857 8911 1 17 . 1 1 70 70 ASP HA H 70 5.531 5.531 5.102 0.429 17857 8912 1 17 . 1 1 70 70 ASP C C 70 176.081 176.081 177.192 -1.111 17857 8913 1 17 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.438 -1.123 17857 8914 1 17 . 1 1 70 70 ASP CB C 70 42.873 42.873 42.377 0.496 17857 8915 1 17 . 1 1 70 70 ASP H H 70 8.233 8.233 8.140 0.093 17857 8916 1 17 . 1 1 71 71 PHE N N 71 119.131 119.131 120.845 -1.714 17857 8917 1 17 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.664 -0.215 17857 8918 1 17 . 1 1 71 71 PHE C C 71 176.693 176.693 177.061 -0.368 17857 8919 1 17 . 1 1 71 71 PHE CA C 71 61.576 61.576 62.053 -0.477 17857 8920 1 17 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.109 1.359 17857 8921 1 17 . 1 1 71 71 PHE H H 71 9.370 9.370 8.605 0.765 17857 8922 1 17 . 1 1 72 72 GLN N N 72 116.462 116.462 117.491 -1.029 17857 8923 1 17 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.751 -0.313 17857 8924 1 17 . 1 1 72 72 GLN C C 72 177.396 177.396 177.991 -0.595 17857 8925 1 17 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.584 1.183 17857 8926 1 17 . 1 1 72 72 GLN CB C 72 28.783 28.783 27.726 1.057 17857 8927 1 17 . 1 1 72 72 GLN H H 72 8.096 8.096 8.631 -0.535 17857 8928 1 17 . 1 1 73 73 GLU N N 73 119.541 119.541 117.669 1.872 17857 8929 1 17 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.045 -0.058 17857 8930 1 17 . 1 1 73 73 GLU C C 73 178.861 178.861 178.782 0.079 17857 8931 1 17 . 1 1 73 73 GLU CA C 73 59.279 59.279 59.097 0.182 17857 8932 1 17 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.203 1.103 17857 8933 1 17 . 1 1 73 73 GLU H H 73 8.139 8.139 8.879 -0.740 17857 8934 1 17 . 1 1 74 74 TYR N N 74 122.065 122.065 119.058 3.007 17857 8935 1 17 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.501 -0.179 17857 8936 1 17 . 1 1 74 74 TYR C C 74 175.562 175.562 176.626 -1.064 17857 8937 1 17 . 1 1 74 74 TYR CA C 74 60.327 60.327 60.015 0.312 17857 8938 1 17 . 1 1 74 74 TYR CB C 74 36.867 36.867 39.235 -2.368 17857 8939 1 17 . 1 1 74 74 TYR H H 74 8.157 8.157 8.243 -0.086 17857 8940 1 17 . 1 1 75 75 VAL N N 75 119.872 119.872 121.050 -1.178 17857 8941 1 17 . 1 1 75 75 VAL HA H 75 2.670 2.670 3.427 -0.757 17857 8942 1 17 . 1 1 75 75 VAL C C 75 177.425 177.425 176.802 0.623 17857 8943 1 17 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.506 1.495 17857 8944 1 17 . 1 1 75 75 VAL CB C 75 30.701 30.701 31.737 -1.036 17857 8945 1 17 . 1 1 75 75 VAL H H 75 7.915 7.915 7.874 0.041 17857 8946 1 17 . 1 1 76 76 VAL N N 76 119.169 119.169 119.038 0.131 17857 8947 1 17 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.717 -0.367 17857 8948 1 17 . 1 1 76 76 VAL C C 76 178.933 178.933 176.922 2.011 17857 8949 1 17 . 1 1 76 76 VAL CA C 76 66.800 66.800 65.284 1.516 17857 8950 1 17 . 1 1 76 76 VAL CB C 76 31.600 31.600 32.024 -0.424 17857 8951 1 17 . 1 1 76 76 VAL H H 76 7.545 7.545 8.073 -0.528 17857 8952 1 17 . 1 1 77 77 LEU N N 77 121.356 121.356 120.535 0.821 17857 8953 1 17 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.911 0.268 17857 8954 1 17 . 1 1 77 77 LEU C C 77 179.226 179.226 178.702 0.524 17857 8955 1 17 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.898 0.375 17857 8956 1 17 . 1 1 77 77 LEU CB C 77 41.992 41.992 40.824 1.168 17857 8957 1 17 . 1 1 77 77 LEU H H 77 7.789 7.789 7.388 0.401 17857 8958 1 17 . 1 1 78 78 VAL N N 78 119.358 119.358 116.444 2.914 17857 8959 1 17 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.514 -0.061 17857 8960 1 17 . 1 1 78 78 VAL C C 78 180.653 180.653 177.451 3.202 17857 8961 1 17 . 1 1 78 78 VAL CA C 78 67.253 67.253 66.040 1.213 17857 8962 1 17 . 1 1 78 78 VAL CB C 78 31.392 31.392 30.738 0.654 17857 8963 1 17 . 1 1 78 78 VAL H H 78 8.350 8.350 7.206 1.144 17857 8964 1 17 . 1 1 79 79 ALA N N 79 125.018 125.018 121.051 3.967 17857 8965 1 17 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.044 -0.006 17857 8966 1 17 . 1 1 79 79 ALA C C 79 178.321 178.321 178.842 -0.521 17857 8967 1 17 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.840 2.240 17857 8968 1 17 . 1 1 79 79 ALA CB C 79 18.289 18.289 17.982 0.307 17857 8969 1 17 . 1 1 79 79 ALA H H 79 9.009 9.009 7.725 1.284 17857 8970 1 17 . 1 1 80 80 ALA N N 80 121.933 121.933 123.448 -1.515 17857 8971 1 17 . 1 1 80 80 ALA HA H 80 4.003 4.003 3.986 0.017 17857 8972 1 17 . 1 1 80 80 ALA C C 80 181.548 181.548 179.160 2.388 17857 8973 1 17 . 1 1 80 80 ALA CA C 80 55.419 55.419 55.102 0.317 17857 8974 1 17 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.038 -0.369 17857 8975 1 17 . 1 1 80 80 ALA H H 80 8.311 8.311 7.802 0.509 17857 8976 1 17 . 1 1 81 81 LEU N N 81 117.563 117.563 114.928 2.635 17857 8977 1 17 . 1 1 81 81 LEU HA H 81 4.033 4.033 3.994 0.039 17857 8978 1 17 . 1 1 81 81 LEU C C 81 178.536 178.536 178.358 0.178 17857 8979 1 17 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.097 0.566 17857 8980 1 17 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.118 0.834 17857 8981 1 17 . 1 1 81 81 LEU H H 81 8.056 8.056 7.534 0.522 17857 8982 1 17 . 1 1 82 82 THR N N 82 117.473 117.473 116.057 1.416 17857 8983 1 17 . 1 1 82 82 THR HA H 82 3.669 3.669 3.287 0.382 17857 8984 1 17 . 1 1 82 82 THR C C 82 176.658 176.658 176.814 -0.156 17857 8985 1 17 . 1 1 82 82 THR CA C 82 68.836 68.836 66.681 2.155 17857 8986 1 17 . 1 1 82 82 THR CB C 82 67.515 67.515 68.105 -0.590 17857 8987 1 17 . 1 1 82 82 THR H H 82 8.299 8.299 7.297 1.002 17857 8988 1 17 . 1 1 83 83 VAL N N 83 121.111 121.111 121.322 -0.211 17857 8989 1 17 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.700 -0.574 17857 8990 1 17 . 1 1 83 83 VAL C C 83 176.323 176.323 177.716 -1.393 17857 8991 1 17 . 1 1 83 83 VAL CA C 83 65.247 65.247 66.108 -0.861 17857 8992 1 17 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.505 -0.483 17857 8993 1 17 . 1 1 83 83 VAL H H 83 7.953 7.953 7.786 0.167 17857 8994 1 17 . 1 1 84 84 ALA N N 84 117.068 117.068 120.607 -3.539 17857 8995 1 17 . 1 1 84 84 ALA HA H 84 4.573 4.573 4.108 0.465 17857 8996 1 17 . 1 1 84 84 ALA C C 84 177.919 177.919 176.549 1.370 17857 8997 1 17 . 1 1 84 84 ALA CA C 84 54.020 54.020 53.873 0.147 17857 8998 1 17 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.842 2.101 17857 8999 1 17 . 1 1 84 84 ALA H H 84 7.105 7.105 7.668 -0.563 17857 9000 1 17 . 1 1 85 85 CYS N N 85 112.195 112.195 113.533 -1.338 17857 9001 1 17 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.673 -0.133 17857 9002 1 17 . 1 1 85 85 CYS C C 85 173.282 173.282 174.135 -0.853 17857 9003 1 17 . 1 1 85 85 CYS CA C 85 60.342 60.342 57.554 2.788 17857 9004 1 17 . 1 1 85 85 CYS CB C 85 32.440 32.440 28.187 4.253 17857 9005 1 17 . 1 1 85 85 CYS H H 85 7.371 7.371 7.473 -0.102 17857 9006 1 17 . 1 1 86 86 ASN N N 86 118.815 118.815 121.886 -3.071 17857 9007 1 17 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.765 -0.268 17857 9008 1 17 . 1 1 86 86 ASN CA C 86 54.737 54.737 55.771 -1.034 17857 9009 1 17 . 1 1 86 86 ASN CB C 86 42.130 42.130 39.022 3.108 17857 9010 1 17 . 1 1 86 86 ASN H H 86 8.347 8.347 7.572 0.775 17857 9011 1 17 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.628 -0.303 17857 9012 1 17 . 1 1 87 87 ASN C C 87 176.216 176.216 174.340 1.876 17857 9013 1 17 . 1 1 87 87 ASN CA C 87 56.570 56.570 54.075 2.495 17857 9014 1 17 . 1 1 87 87 ASN CB C 87 38.479 38.479 37.379 1.100 17857 9015 1 17 . 1 1 88 88 PHE N N 88 120.522 120.522 118.947 1.575 17857 9016 1 17 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.628 -0.531 17857 9017 1 17 . 1 1 88 88 PHE C C 88 176.803 176.803 176.453 0.350 17857 9018 1 17 . 1 1 88 88 PHE CA C 88 61.023 61.023 59.933 1.090 17857 9019 1 17 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.856 -0.174 17857 9020 1 17 . 1 1 88 88 PHE H H 88 8.642 8.642 8.566 0.076 17857 9021 1 17 . 1 1 89 89 PHE N N 89 112.727 112.727 119.623 -6.896 17857 9022 1 17 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.428 -0.625 17857 9023 1 17 . 1 1 89 89 PHE C C 89 173.691 173.691 175.384 -1.693 17857 9024 1 17 . 1 1 89 89 PHE CA C 89 59.208 59.208 59.396 -0.188 17857 9025 1 17 . 1 1 89 89 PHE CB C 89 39.029 39.029 39.020 0.009 17857 9026 1 17 . 1 1 89 89 PHE H H 89 7.408 7.408 8.371 -0.963 17857 9027 1 17 . 1 1 90 90 TRP N N 90 118.731 118.731 119.833 -1.102 17857 9028 1 17 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.467 0.123 17857 9029 1 17 . 1 1 90 90 TRP C C 90 175.269 175.269 176.230 -0.961 17857 9030 1 17 . 1 1 90 90 TRP CA C 90 56.840 56.840 58.272 -1.432 17857 9031 1 17 . 1 1 90 90 TRP CB C 90 31.400 31.400 28.975 2.425 17857 9032 1 17 . 1 1 90 90 TRP H H 90 7.359 7.359 8.092 -0.733 17857 9033 1 17 . 1 1 91 91 GLU N N 91 121.302 121.302 118.890 2.412 17857 9034 1 17 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.152 0.190 17857 9035 1 17 . 1 1 91 91 GLU C C 91 176.081 176.081 176.143 -0.062 17857 9036 1 17 . 1 1 91 91 GLU CA C 91 56.857 56.857 57.303 -0.446 17857 9037 1 17 . 1 1 91 91 GLU CB C 91 30.548 30.548 29.812 0.736 17857 9038 1 17 . 1 1 91 91 GLU H H 91 7.766 7.766 8.012 -0.246 17857 9039 1 17 . 1 1 92 92 ASN N N 92 120.522 120.522 120.898 -0.376 17857 9040 1 17 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.649 0.118 17857 9041 1 17 . 1 1 92 92 ASN C C 92 174.283 174.283 174.976 -0.693 17857 9042 1 17 . 1 1 92 92 ASN CA C 92 53.407 53.407 52.840 0.567 17857 9043 1 17 . 1 1 92 92 ASN CB C 92 39.276 39.276 38.665 0.611 17857 9044 1 17 . 1 1 92 92 ASN H H 92 8.462 8.462 8.739 -0.277 17857 9045 1 18 . 1 1 2 2 SER N N 2 118.698 118.698 116.695 2.003 17857 9046 1 18 . 1 1 2 2 SER HA H 2 4.691 4.691 4.269 0.422 17857 9047 1 18 . 1 1 2 2 SER C C 2 175.496 175.496 175.159 0.337 17857 9048 1 18 . 1 1 2 2 SER CA C 2 57.481 57.481 58.418 -0.937 17857 9049 1 18 . 1 1 2 2 SER CB C 2 65.371 65.371 63.961 1.411 17857 9050 1 18 . 1 1 2 2 SER H H 2 9.211 9.211 8.207 1.004 17857 9051 1 18 . 1 1 3 3 GLU N N 3 122.860 122.860 122.628 0.232 17857 9052 1 18 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.963 0.152 17857 9053 1 18 . 1 1 3 3 GLU C C 3 179.171 179.171 178.398 0.773 17857 9054 1 18 . 1 1 3 3 GLU CA C 3 60.757 60.757 59.105 1.652 17857 9055 1 18 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.668 -0.629 17857 9056 1 18 . 1 1 3 3 GLU H H 3 9.205 9.205 8.801 0.404 17857 9057 1 18 . 1 1 4 4 LEU N N 4 120.718 120.718 120.261 0.457 17857 9058 1 18 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.078 -0.042 17857 9059 1 18 . 1 1 4 4 LEU C C 4 178.360 178.360 178.182 0.178 17857 9060 1 18 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.567 0.344 17857 9061 1 18 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.543 0.819 17857 9062 1 18 . 1 1 4 4 LEU H H 4 8.854 8.854 8.140 0.714 17857 9063 1 18 . 1 1 5 5 GLU N N 5 118.542 118.542 118.273 0.269 17857 9064 1 18 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.952 -0.697 17857 9065 1 18 . 1 1 5 5 GLU C C 5 179.204 179.204 178.739 0.465 17857 9066 1 18 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.618 0.199 17857 9067 1 18 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.587 -0.384 17857 9068 1 18 . 1 1 5 5 GLU H H 5 7.791 7.791 7.730 0.061 17857 9069 1 18 . 1 1 6 6 THR N N 6 115.783 115.783 113.850 1.933 17857 9070 1 18 . 1 1 6 6 THR HA H 6 4.017 4.017 4.252 -0.235 17857 9071 1 18 . 1 1 6 6 THR C C 6 176.807 176.807 176.129 0.678 17857 9072 1 18 . 1 1 6 6 THR CA C 6 66.668 66.668 63.884 2.784 17857 9073 1 18 . 1 1 6 6 THR CB C 6 68.763 68.763 68.692 0.071 17857 9074 1 18 . 1 1 6 6 THR H H 6 8.371 8.371 7.468 0.903 17857 9075 1 18 . 1 1 7 7 ALA N N 7 125.707 125.707 124.881 0.826 17857 9076 1 18 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.015 0.257 17857 9077 1 18 . 1 1 7 7 ALA C C 7 179.856 179.856 179.605 0.251 17857 9078 1 18 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.302 0.400 17857 9079 1 18 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.425 -0.195 17857 9080 1 18 . 1 1 7 7 ALA H H 7 8.267 8.267 8.311 -0.044 17857 9081 1 18 . 1 1 8 8 MET N N 8 115.222 115.222 115.006 0.216 17857 9082 1 18 . 1 1 8 8 MET HA H 8 4.858 4.858 4.448 0.410 17857 9083 1 18 . 1 1 8 8 MET C C 8 179.635 179.635 178.146 1.489 17857 9084 1 18 . 1 1 8 8 MET CA C 8 56.669 56.669 56.713 -0.044 17857 9085 1 18 . 1 1 8 8 MET CB C 8 29.136 29.136 31.484 -2.348 17857 9086 1 18 . 1 1 8 8 MET H H 8 8.106 8.106 7.696 0.410 17857 9087 1 18 . 1 1 9 9 GLU N N 9 120.456 120.456 119.594 0.862 17857 9088 1 18 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.094 0.021 17857 9089 1 18 . 1 1 9 9 GLU C C 9 179.531 179.531 179.463 0.068 17857 9090 1 18 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.618 1.013 17857 9091 1 18 . 1 1 9 9 GLU CB C 9 28.977 28.977 28.926 0.051 17857 9092 1 18 . 1 1 9 9 GLU H H 9 8.658 8.658 7.765 0.893 17857 9093 1 18 . 1 1 10 10 THR N N 10 118.547 118.547 116.726 1.821 17857 9094 1 18 . 1 1 10 10 THR HA H 10 4.116 4.116 4.164 -0.048 17857 9095 1 18 . 1 1 10 10 THR C C 10 175.942 175.942 176.587 -0.645 17857 9096 1 18 . 1 1 10 10 THR CA C 10 67.521 67.521 65.902 1.619 17857 9097 1 18 . 1 1 10 10 THR CB C 10 67.933 67.933 68.812 -0.879 17857 9098 1 18 . 1 1 10 10 THR H H 10 8.417 8.417 7.843 0.574 17857 9099 1 18 . 1 1 11 11 LEU N N 11 121.715 121.715 122.719 -1.004 17857 9100 1 18 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.266 -0.199 17857 9101 1 18 . 1 1 11 11 LEU C C 11 181.784 181.784 179.077 2.707 17857 9102 1 18 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.413 2.030 17857 9103 1 18 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.356 -0.363 17857 9104 1 18 . 1 1 11 11 LEU H H 11 8.324 8.324 7.448 0.876 17857 9105 1 18 . 1 1 12 12 ILE N N 12 121.081 121.081 118.761 2.320 17857 9106 1 18 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.780 -0.216 17857 9107 1 18 . 1 1 12 12 ILE C C 12 176.221 176.221 176.778 -0.557 17857 9108 1 18 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.266 1.912 17857 9109 1 18 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.787 0.608 17857 9110 1 18 . 1 1 12 12 ILE H H 12 8.419 8.419 8.111 0.308 17857 9111 1 18 . 1 1 13 13 ASN N N 13 120.254 120.254 118.741 1.513 17857 9112 1 18 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.621 -0.251 17857 9113 1 18 . 1 1 13 13 ASN C C 13 179.124 179.124 176.856 2.268 17857 9114 1 18 . 1 1 13 13 ASN CA C 13 56.615 56.615 55.959 0.656 17857 9115 1 18 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.095 0.060 17857 9116 1 18 . 1 1 13 13 ASN H H 13 8.593 8.593 7.868 0.725 17857 9117 1 18 . 1 1 14 14 VAL N N 14 121.599 121.599 117.695 3.904 17857 9118 1 18 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.824 0.032 17857 9119 1 18 . 1 1 14 14 VAL C C 14 177.155 177.155 177.040 0.115 17857 9120 1 18 . 1 1 14 14 VAL CA C 14 66.705 66.705 64.179 2.526 17857 9121 1 18 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.546 0.338 17857 9122 1 18 . 1 1 14 14 VAL H H 14 8.838 8.838 7.517 1.321 17857 9123 1 18 . 1 1 15 15 PHE N N 15 120.139 120.139 123.032 -2.893 17857 9124 1 18 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.770 -0.171 17857 9125 1 18 . 1 1 15 15 PHE C C 15 177.601 177.601 176.586 1.015 17857 9126 1 18 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.333 0.066 17857 9127 1 18 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.057 0.575 17857 9128 1 18 . 1 1 15 15 PHE H H 15 7.456 7.456 7.414 0.042 17857 9129 1 18 . 1 1 16 16 HIS N N 16 118.175 118.175 117.006 1.169 17857 9130 1 18 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.225 0.918 17857 9131 1 18 . 1 1 16 16 HIS C C 16 177.972 177.972 177.115 0.857 17857 9132 1 18 . 1 1 16 16 HIS CA C 16 55.795 55.795 58.151 -2.356 17857 9133 1 18 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.600 1.727 17857 9134 1 18 . 1 1 16 16 HIS H H 16 9.137 9.137 8.421 0.716 17857 9135 1 18 . 1 1 17 17 ALA N N 17 121.734 121.734 122.621 -0.887 17857 9136 1 18 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.141 -0.321 17857 9137 1 18 . 1 1 17 17 ALA C C 17 178.713 178.713 178.783 -0.070 17857 9138 1 18 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.317 0.300 17857 9139 1 18 . 1 1 17 17 ALA CB C 17 17.700 17.700 18.359 -0.659 17857 9140 1 18 . 1 1 17 17 ALA H H 17 8.133 8.133 7.213 0.920 17857 9141 1 18 . 1 1 18 18 HIS N N 18 113.408 113.408 116.889 -3.481 17857 9142 1 18 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.426 -0.106 17857 9143 1 18 . 1 1 18 18 HIS CA C 18 57.837 57.837 58.732 -0.895 17857 9144 1 18 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.470 2.178 17857 9145 1 18 . 1 1 18 18 HIS H H 18 7.286 7.286 7.804 -0.518 17857 9146 1 18 . 1 1 19 19 SER N N 19 120.877 120.877 114.804 6.073 17857 9147 1 18 . 1 1 19 19 SER HA H 19 4.124 4.124 3.990 0.134 17857 9148 1 18 . 1 1 19 19 SER C C 19 176.676 176.676 175.699 0.977 17857 9149 1 18 . 1 1 19 19 SER CA C 19 60.979 60.979 61.711 -0.732 17857 9150 1 18 . 1 1 19 19 SER CB C 19 61.813 61.813 62.962 -1.149 17857 9151 1 18 . 1 1 19 19 SER H H 19 9.322 9.322 8.200 1.122 17857 9152 1 18 . 1 1 20 20 GLY N N 20 107.206 107.206 106.645 0.561 17857 9153 1 18 . 1 1 20 20 GLY C C 20 174.913 174.913 173.184 1.729 17857 9154 1 18 . 1 1 20 20 GLY CA C 20 45.281 45.281 44.599 0.681 17857 9155 1 18 . 1 1 20 20 GLY H H 20 8.233 8.233 7.486 0.747 17857 9156 1 18 . 1 1 21 21 LYS N N 21 118.717 118.717 120.685 -1.968 17857 9157 1 18 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.375 -0.334 17857 9158 1 18 . 1 1 21 21 LYS C C 21 176.623 176.623 175.366 1.257 17857 9159 1 18 . 1 1 21 21 LYS CA C 21 58.185 58.185 55.752 2.433 17857 9160 1 18 . 1 1 21 21 LYS CB C 21 33.157 33.157 33.946 -0.789 17857 9161 1 18 . 1 1 21 21 LYS H H 21 7.333 7.333 7.402 -0.069 17857 9162 1 18 . 1 1 22 22 GLU N N 22 116.257 116.257 122.165 -5.908 17857 9163 1 18 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.007 0.434 17857 9164 1 18 . 1 1 22 22 GLU C C 22 175.554 175.554 175.420 0.134 17857 9165 1 18 . 1 1 22 22 GLU CA C 22 55.488 55.488 57.148 -1.660 17857 9166 1 18 . 1 1 22 22 GLU CB C 22 31.892 31.892 29.368 2.524 17857 9167 1 18 . 1 1 22 22 GLU H H 22 7.603 7.603 8.773 -1.170 17857 9168 1 18 . 1 1 23 23 GLY N N 23 108.614 108.614 111.032 -2.418 17857 9169 1 18 . 1 1 23 23 GLY C C 23 173.976 173.976 173.364 0.612 17857 9170 1 18 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.399 1.625 17857 9171 1 18 . 1 1 23 23 GLY H H 23 8.261 8.261 7.987 0.274 17857 9172 1 18 . 1 1 24 24 ASP N N 24 124.252 124.252 120.853 3.399 17857 9173 1 18 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.699 -0.140 17857 9174 1 18 . 1 1 24 24 ASP C C 24 177.376 177.376 176.806 0.570 17857 9175 1 18 . 1 1 24 24 ASP CA C 24 53.824 53.824 52.825 0.999 17857 9176 1 18 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.870 0.822 17857 9177 1 18 . 1 1 24 24 ASP H H 24 8.313 8.313 8.590 -0.277 17857 9178 1 18 . 1 1 25 25 LYS N N 25 125.006 125.006 116.875 8.131 17857 9179 1 18 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.091 0.046 17857 9180 1 18 . 1 1 25 25 LYS C C 25 175.980 175.980 175.465 0.515 17857 9181 1 18 . 1 1 25 25 LYS CA C 25 57.436 57.436 56.225 1.211 17857 9182 1 18 . 1 1 25 25 LYS CB C 25 32.345 32.345 33.541 -1.196 17857 9183 1 18 . 1 1 25 25 LYS H H 25 8.327 8.327 8.441 -0.114 17857 9184 1 18 . 1 1 26 26 TYR N N 26 117.300 117.300 115.988 1.312 17857 9185 1 18 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.652 0.434 17857 9186 1 18 . 1 1 26 26 TYR C C 26 175.592 175.592 174.540 1.052 17857 9187 1 18 . 1 1 26 26 TYR CA C 26 57.552 57.552 57.548 0.004 17857 9188 1 18 . 1 1 26 26 TYR CB C 26 38.052 38.052 40.506 -2.454 17857 9189 1 18 . 1 1 26 26 TYR H H 26 8.490 8.490 7.763 0.727 17857 9190 1 18 . 1 1 27 27 LYS N N 27 117.820 117.820 120.411 -2.591 17857 9191 1 18 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.886 0.617 17857 9192 1 18 . 1 1 27 27 LYS C C 27 174.259 174.259 174.267 -0.008 17857 9193 1 18 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.789 -0.695 17857 9194 1 18 . 1 1 27 27 LYS CB C 27 37.626 37.626 35.767 1.859 17857 9195 1 18 . 1 1 27 27 LYS H H 27 7.793 7.793 7.906 -0.113 17857 9196 1 18 . 1 1 28 28 LEU N N 28 120.282 120.282 125.171 -4.889 17857 9197 1 18 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.551 0.197 17857 9198 1 18 . 1 1 28 28 LEU C C 28 176.038 176.038 175.632 0.406 17857 9199 1 18 . 1 1 28 28 LEU CA C 28 53.042 53.042 52.971 0.071 17857 9200 1 18 . 1 1 28 28 LEU CB C 28 46.382 46.382 44.821 1.561 17857 9201 1 18 . 1 1 28 28 LEU H H 28 8.692 8.692 8.209 0.483 17857 9202 1 18 . 1 1 29 29 SER N N 29 119.669 119.669 120.706 -1.037 17857 9203 1 18 . 1 1 29 29 SER HA H 29 5.121 5.121 5.088 0.033 17857 9204 1 18 . 1 1 29 29 SER C C 29 175.936 175.936 175.410 0.526 17857 9205 1 18 . 1 1 29 29 SER CA C 29 57.760 57.760 58.390 -0.630 17857 9206 1 18 . 1 1 29 29 SER CB C 29 64.689 64.689 64.513 0.176 17857 9207 1 18 . 1 1 29 29 SER H H 29 8.797 8.797 8.674 0.123 17857 9208 1 18 . 1 1 30 30 LYS N N 30 124.194 124.194 120.912 3.282 17857 9209 1 18 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.339 -0.478 17857 9210 1 18 . 1 1 30 30 LYS C C 30 178.523 178.523 177.631 0.892 17857 9211 1 18 . 1 1 30 30 LYS CA C 30 61.591 61.591 58.081 3.510 17857 9212 1 18 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.456 -0.452 17857 9213 1 18 . 1 1 30 30 LYS H H 30 8.842 8.842 8.220 0.622 17857 9214 1 18 . 1 1 31 31 LYS N N 31 119.922 119.922 118.075 1.847 17857 9215 1 18 . 1 1 31 31 LYS HA H 31 4.157 4.157 4.216 -0.059 17857 9216 1 18 . 1 1 31 31 LYS C C 31 179.293 179.293 178.249 1.044 17857 9217 1 18 . 1 1 31 31 LYS CA C 31 59.426 59.426 58.668 0.758 17857 9218 1 18 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.448 0.138 17857 9219 1 18 . 1 1 31 31 LYS H H 31 8.786 8.786 8.309 0.477 17857 9220 1 18 . 1 1 32 32 GLN N N 32 119.859 119.859 118.431 1.428 17857 9221 1 18 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.209 -0.092 17857 9222 1 18 . 1 1 32 32 GLN C C 32 179.272 179.272 177.677 1.595 17857 9223 1 18 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.005 0.173 17857 9224 1 18 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.987 -0.167 17857 9225 1 18 . 1 1 32 32 GLN H H 32 7.769 7.769 7.627 0.142 17857 9226 1 18 . 1 1 33 33 LEU N N 33 122.146 122.146 119.561 2.585 17857 9227 1 18 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.951 0.094 17857 9228 1 18 . 1 1 33 33 LEU C C 33 177.408 177.408 178.795 -1.387 17857 9229 1 18 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.013 -0.678 17857 9230 1 18 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.578 -1.031 17857 9231 1 18 . 1 1 33 33 LEU H H 33 8.918 8.918 8.055 0.863 17857 9232 1 18 . 1 1 34 34 LYS N N 34 120.726 120.726 118.335 2.391 17857 9233 1 18 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.950 -0.324 17857 9234 1 18 . 1 1 34 34 LYS C C 34 177.675 177.675 178.612 -0.937 17857 9235 1 18 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.824 1.161 17857 9236 1 18 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.172 -0.172 17857 9237 1 18 . 1 1 34 34 LYS H H 34 8.423 8.423 7.946 0.477 17857 9238 1 18 . 1 1 35 35 GLU N N 35 116.999 116.999 118.864 -1.865 17857 9239 1 18 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.210 -0.140 17857 9240 1 18 . 1 1 35 35 GLU C C 35 179.003 179.003 178.845 0.158 17857 9241 1 18 . 1 1 35 35 GLU CA C 35 59.502 59.502 58.364 1.138 17857 9242 1 18 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.434 -0.039 17857 9243 1 18 . 1 1 35 35 GLU H H 35 7.186 7.186 7.743 -0.557 17857 9244 1 18 . 1 1 36 36 LEU N N 36 122.908 122.908 122.551 0.357 17857 9245 1 18 . 1 1 36 36 LEU HA H 36 3.713 3.713 3.891 -0.178 17857 9246 1 18 . 1 1 36 36 LEU C C 36 178.810 178.810 178.045 0.765 17857 9247 1 18 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.108 1.325 17857 9248 1 18 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.474 0.829 17857 9249 1 18 . 1 1 36 36 LEU H H 36 8.141 8.141 8.530 -0.389 17857 9250 1 18 . 1 1 37 37 LEU N N 37 119.746 119.746 118.166 1.580 17857 9251 1 18 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.757 -0.068 17857 9252 1 18 . 1 1 37 37 LEU C C 37 178.128 178.128 178.759 -0.631 17857 9253 1 18 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.141 0.276 17857 9254 1 18 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.514 0.009 17857 9255 1 18 . 1 1 37 37 LEU H H 37 8.772 8.772 7.461 1.311 17857 9256 1 18 . 1 1 38 38 GLN N N 38 113.312 113.312 117.566 -4.254 17857 9257 1 18 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.011 -0.244 17857 9258 1 18 . 1 1 38 38 GLN C C 38 177.536 177.536 178.533 -0.997 17857 9259 1 18 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.677 0.109 17857 9260 1 18 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.681 0.333 17857 9261 1 18 . 1 1 38 38 GLN H H 38 8.082 8.082 8.073 0.009 17857 9262 1 18 . 1 1 39 39 THR N N 39 109.779 109.779 114.900 -5.121 17857 9263 1 18 . 1 1 39 39 THR HA H 39 4.312 4.312 3.972 0.340 17857 9264 1 18 . 1 1 39 39 THR C C 39 176.802 176.802 176.196 0.606 17857 9265 1 18 . 1 1 39 39 THR CA C 39 64.576 64.576 65.477 -0.901 17857 9266 1 18 . 1 1 39 39 THR CB C 39 69.847 69.847 68.993 0.854 17857 9267 1 18 . 1 1 39 39 THR H H 39 7.683 7.683 8.450 -0.767 17857 9268 1 18 . 1 1 40 40 GLU N N 40 118.440 118.440 119.482 -1.042 17857 9269 1 18 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.244 0.472 17857 9270 1 18 . 1 1 40 40 GLU C C 40 177.106 177.106 178.390 -1.284 17857 9271 1 18 . 1 1 40 40 GLU CA C 40 56.922 56.922 58.442 -1.520 17857 9272 1 18 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.101 0.161 17857 9273 1 18 . 1 1 40 40 GLU H H 40 8.971 8.971 8.138 0.833 17857 9274 1 18 . 1 1 41 41 LEU N N 41 119.219 119.219 119.314 -0.095 17857 9275 1 18 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.313 0.815 17857 9276 1 18 . 1 1 41 41 LEU C C 41 177.669 177.669 177.360 0.309 17857 9277 1 18 . 1 1 41 41 LEU CA C 41 53.300 53.300 56.460 -3.160 17857 9278 1 18 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.837 -0.629 17857 9279 1 18 . 1 1 41 41 LEU H H 41 7.733 7.733 8.468 -0.735 17857 9280 1 18 . 1 1 42 42 SER N N 42 112.897 112.897 112.563 0.334 17857 9281 1 18 . 1 1 42 42 SER HA H 42 3.880 3.880 4.279 -0.399 17857 9282 1 18 . 1 1 42 42 SER C C 42 176.429 176.429 174.337 2.092 17857 9283 1 18 . 1 1 42 42 SER CA C 42 61.867 61.867 58.977 2.889 17857 9284 1 18 . 1 1 42 42 SER CB C 42 62.864 62.864 62.304 0.559 17857 9285 1 18 . 1 1 42 42 SER H H 42 6.915 6.915 8.300 -1.385 17857 9286 1 18 . 1 1 43 43 GLY N N 43 114.357 114.357 106.395 7.962 17857 9287 1 18 . 1 1 43 43 GLY C C 43 178.051 178.051 175.168 2.883 17857 9288 1 18 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.394 1.450 17857 9289 1 18 . 1 1 43 43 GLY H H 43 9.244 9.244 7.974 1.270 17857 9290 1 18 . 1 1 44 44 PHE N N 44 124.297 124.297 122.008 2.289 17857 9291 1 18 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.282 0.311 17857 9292 1 18 . 1 1 44 44 PHE C C 44 178.168 178.168 177.204 0.964 17857 9293 1 18 . 1 1 44 44 PHE CA C 44 57.510 57.510 60.230 -2.720 17857 9294 1 18 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.281 -2.138 17857 9295 1 18 . 1 1 44 44 PHE H H 44 8.273 8.273 8.116 0.157 17857 9296 1 18 . 1 1 45 45 LEU N N 45 116.097 116.097 113.459 2.638 17857 9297 1 18 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.296 -0.120 17857 9298 1 18 . 1 1 45 45 LEU C C 45 179.069 179.069 176.598 2.471 17857 9299 1 18 . 1 1 45 45 LEU CA C 45 57.580 57.580 56.731 0.849 17857 9300 1 18 . 1 1 45 45 LEU CB C 45 41.377 41.377 41.040 0.337 17857 9301 1 18 . 1 1 45 45 LEU H H 45 8.559 8.559 7.945 0.614 17857 9302 1 18 . 1 1 46 46 ASP N N 46 119.849 119.849 120.461 -0.612 17857 9303 1 18 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.552 0.161 17857 9304 1 18 . 1 1 46 46 ASP C C 46 176.152 176.152 176.132 0.020 17857 9305 1 18 . 1 1 46 46 ASP CA C 46 55.845 55.845 55.333 0.512 17857 9306 1 18 . 1 1 46 46 ASP CB C 46 41.640 41.640 40.797 0.843 17857 9307 1 18 . 1 1 46 46 ASP H H 46 7.707 7.707 7.689 0.018 17857 9308 1 18 . 1 1 47 47 ALA N N 47 124.027 124.027 122.015 2.012 17857 9309 1 18 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.529 0.079 17857 9310 1 18 . 1 1 47 47 ALA C C 47 176.271 176.271 175.876 0.395 17857 9311 1 18 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.334 -1.613 17857 9312 1 18 . 1 1 47 47 ALA CB C 47 18.985 18.985 20.157 -1.173 17857 9313 1 18 . 1 1 47 47 ALA H H 47 7.710 7.710 7.326 0.384 17857 9314 1 18 . 1 1 48 48 GLN N N 48 117.138 117.138 121.435 -4.297 17857 9315 1 18 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.300 -0.185 17857 9316 1 18 . 1 1 48 48 GLN C C 48 175.907 175.907 176.052 -0.145 17857 9317 1 18 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.443 1.631 17857 9318 1 18 . 1 1 48 48 GLN CB C 48 30.504 30.504 29.158 1.346 17857 9319 1 18 . 1 1 48 48 GLN H H 48 7.562 7.562 8.551 -0.989 17857 9320 1 18 . 1 1 49 49 LYS N N 49 121.265 121.265 125.039 -3.774 17857 9321 1 18 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.250 -0.101 17857 9322 1 18 . 1 1 49 49 LYS C C 49 176.157 176.157 176.982 -0.825 17857 9323 1 18 . 1 1 49 49 LYS CA C 49 56.337 56.337 57.186 -0.849 17857 9324 1 18 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.913 -1.682 17857 9325 1 18 . 1 1 49 49 LYS H H 49 7.974 7.974 8.744 -0.770 17857 9326 1 18 . 1 1 50 50 ASP N N 50 119.019 119.019 118.959 0.060 17857 9327 1 18 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.541 0.141 17857 9328 1 18 . 1 1 50 50 ASP C C 50 175.466 175.466 176.420 -0.954 17857 9329 1 18 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.729 -2.919 17857 9330 1 18 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.139 -1.185 17857 9331 1 18 . 1 1 50 50 ASP H H 50 7.523 7.523 8.011 -0.488 17857 9332 1 18 . 1 1 51 51 VAL N N 51 121.906 121.906 119.024 2.882 17857 9333 1 18 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.207 -0.346 17857 9334 1 18 . 1 1 51 51 VAL C C 51 178.158 178.158 176.359 1.799 17857 9335 1 18 . 1 1 51 51 VAL CA C 51 64.804 64.804 63.976 0.828 17857 9336 1 18 . 1 1 51 51 VAL CB C 51 31.831 31.831 33.582 -1.751 17857 9337 1 18 . 1 1 51 51 VAL H H 51 7.618 7.618 8.073 -0.455 17857 9338 1 18 . 1 1 52 52 ASP N N 52 119.692 119.692 121.830 -2.138 17857 9339 1 18 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.416 -0.057 17857 9340 1 18 . 1 1 52 52 ASP C C 52 178.427 178.427 178.017 0.410 17857 9341 1 18 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.223 0.136 17857 9342 1 18 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.852 1.069 17857 9343 1 18 . 1 1 52 52 ASP H H 52 8.081 8.081 8.498 -0.417 17857 9344 1 18 . 1 1 53 53 ALA N N 53 122.046 122.046 121.376 0.670 17857 9345 1 18 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.176 -0.156 17857 9346 1 18 . 1 1 53 53 ALA C C 53 180.602 180.602 179.304 1.298 17857 9347 1 18 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.351 0.379 17857 9348 1 18 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.135 0.732 17857 9349 1 18 . 1 1 53 53 ALA H H 53 7.538 7.538 8.055 -0.517 17857 9350 1 18 . 1 1 54 54 VAL N N 54 117.817 117.817 116.985 0.832 17857 9351 1 18 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.678 -0.328 17857 9352 1 18 . 1 1 54 54 VAL C C 54 177.718 177.718 177.538 0.180 17857 9353 1 18 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.903 0.764 17857 9354 1 18 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.387 0.328 17857 9355 1 18 . 1 1 54 54 VAL H H 54 7.286 7.286 7.738 -0.452 17857 9356 1 18 . 1 1 55 55 ASP N N 55 119.601 119.601 119.135 0.466 17857 9357 1 18 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.517 -0.230 17857 9358 1 18 . 1 1 55 55 ASP C C 55 178.508 178.508 177.771 0.737 17857 9359 1 18 . 1 1 55 55 ASP CA C 55 57.618 57.618 55.845 1.773 17857 9360 1 18 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.535 0.692 17857 9361 1 18 . 1 1 55 55 ASP H H 55 8.456 8.456 7.785 0.671 17857 9362 1 18 . 1 1 56 56 LYS N N 56 117.890 117.890 121.205 -3.315 17857 9363 1 18 . 1 1 56 56 LYS HA H 56 3.935 3.935 4.014 -0.079 17857 9364 1 18 . 1 1 56 56 LYS C C 56 179.509 179.509 178.679 0.830 17857 9365 1 18 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.312 0.577 17857 9366 1 18 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.076 0.444 17857 9367 1 18 . 1 1 56 56 LYS H H 56 7.921 7.921 7.351 0.570 17857 9368 1 18 . 1 1 57 57 VAL N N 57 119.196 119.196 118.431 0.765 17857 9369 1 18 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.682 0.040 17857 9370 1 18 . 1 1 57 57 VAL C C 57 177.928 177.928 177.394 0.534 17857 9371 1 18 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.687 0.531 17857 9372 1 18 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.533 0.798 17857 9373 1 18 . 1 1 57 57 VAL H H 57 7.292 7.292 7.406 -0.114 17857 9374 1 18 . 1 1 58 58 MET N N 58 115.902 115.902 117.571 -1.669 17857 9375 1 18 . 1 1 58 58 MET HA H 58 4.128 4.128 4.067 0.061 17857 9376 1 18 . 1 1 58 58 MET C C 58 178.952 178.952 178.300 0.652 17857 9377 1 18 . 1 1 58 58 MET CA C 58 57.582 57.582 59.034 -1.452 17857 9378 1 18 . 1 1 58 58 MET CB C 58 31.511 31.511 32.297 -0.786 17857 9379 1 18 . 1 1 58 58 MET H H 58 8.313 8.313 7.418 0.895 17857 9380 1 18 . 1 1 59 59 LYS N N 59 118.845 118.845 120.110 -1.265 17857 9381 1 18 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.907 0.165 17857 9382 1 18 . 1 1 59 59 LYS C C 59 179.149 179.149 178.517 0.632 17857 9383 1 18 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.777 -0.617 17857 9384 1 18 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.319 0.226 17857 9385 1 18 . 1 1 59 59 LYS H H 59 8.563 8.563 8.414 0.149 17857 9386 1 18 . 1 1 60 60 GLU N N 60 119.868 119.868 118.380 1.488 17857 9387 1 18 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.074 -0.042 17857 9388 1 18 . 1 1 60 60 GLU C C 60 179.083 179.083 178.344 0.739 17857 9389 1 18 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.089 0.677 17857 9390 1 18 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.317 -0.559 17857 9391 1 18 . 1 1 60 60 GLU H H 60 7.467 7.467 7.657 -0.190 17857 9392 1 18 . 1 1 61 61 LEU N N 61 116.866 116.866 117.758 -0.892 17857 9393 1 18 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.148 -0.181 17857 9394 1 18 . 1 1 61 61 LEU C C 61 177.870 177.870 179.040 -1.170 17857 9395 1 18 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.544 -0.293 17857 9396 1 18 . 1 1 61 61 LEU CB C 61 40.770 40.770 42.095 -1.325 17857 9397 1 18 . 1 1 61 61 LEU H H 61 7.597 7.597 7.469 0.128 17857 9398 1 18 . 1 1 62 62 ASP N N 62 115.773 115.773 120.184 -4.411 17857 9399 1 18 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.376 0.111 17857 9400 1 18 . 1 1 62 62 ASP C C 62 178.871 178.871 177.733 1.138 17857 9401 1 18 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.944 -0.823 17857 9402 1 18 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.995 0.831 17857 9403 1 18 . 1 1 62 62 ASP H H 62 7.509 7.509 7.631 -0.122 17857 9404 1 18 . 1 1 63 63 GLU N N 63 119.120 119.120 117.377 1.743 17857 9405 1 18 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.139 -0.008 17857 9406 1 18 . 1 1 63 63 GLU C C 63 176.937 176.937 176.707 0.230 17857 9407 1 18 . 1 1 63 63 GLU CA C 63 58.053 58.053 57.818 0.235 17857 9408 1 18 . 1 1 63 63 GLU CB C 63 30.119 30.119 29.912 0.207 17857 9409 1 18 . 1 1 63 63 GLU H H 63 8.068 8.068 8.064 0.004 17857 9410 1 18 . 1 1 64 64 ASN N N 64 117.779 117.779 116.027 1.752 17857 9411 1 18 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.801 0.321 17857 9412 1 18 . 1 1 64 64 ASN C C 64 176.299 176.299 175.483 0.816 17857 9413 1 18 . 1 1 64 64 ASN CA C 64 52.221 52.221 53.175 -0.954 17857 9414 1 18 . 1 1 64 64 ASN CB C 64 38.943 38.943 40.520 -1.577 17857 9415 1 18 . 1 1 64 64 ASN H H 64 7.719 7.719 7.978 -0.259 17857 9416 1 18 . 1 1 65 65 GLY N N 65 106.860 106.860 108.329 -1.469 17857 9417 1 18 . 1 1 65 65 GLY C C 65 174.113 174.113 172.531 1.582 17857 9418 1 18 . 1 1 65 65 GLY CA C 65 47.965 47.965 45.767 2.198 17857 9419 1 18 . 1 1 65 65 GLY H H 65 7.705 7.705 8.593 -0.888 17857 9420 1 18 . 1 1 66 66 ASP N N 66 115.761 115.761 116.839 -1.078 17857 9421 1 18 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.711 0.126 17857 9422 1 18 . 1 1 66 66 ASP C C 66 177.865 177.865 174.711 3.154 17857 9423 1 18 . 1 1 66 66 ASP CA C 66 54.199 54.199 53.012 1.187 17857 9424 1 18 . 1 1 66 66 ASP CB C 66 40.784 40.784 42.296 -1.512 17857 9425 1 18 . 1 1 66 66 ASP H H 66 8.266 8.266 7.661 0.605 17857 9426 1 18 . 1 1 67 67 GLY N N 67 109.034 109.034 108.228 0.806 17857 9427 1 18 . 1 1 67 67 GLY C C 67 172.364 172.364 172.671 -0.307 17857 9428 1 18 . 1 1 67 67 GLY CA C 67 45.136 45.136 45.360 -0.224 17857 9429 1 18 . 1 1 67 67 GLY H H 67 8.237 8.237 7.921 0.316 17857 9430 1 18 . 1 1 68 68 GLU N N 68 117.964 117.964 118.739 -0.775 17857 9431 1 18 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.381 -0.212 17857 9432 1 18 . 1 1 68 68 GLU C C 68 176.201 176.201 175.806 0.395 17857 9433 1 18 . 1 1 68 68 GLU CA C 68 55.328 55.328 54.619 0.709 17857 9434 1 18 . 1 1 68 68 GLU CB C 68 33.900 33.900 33.955 -0.055 17857 9435 1 18 . 1 1 68 68 GLU H H 68 8.415 8.415 8.241 0.174 17857 9436 1 18 . 1 1 69 69 VAL N N 69 116.232 116.232 115.852 0.380 17857 9437 1 18 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.797 0.104 17857 9438 1 18 . 1 1 69 69 VAL C C 69 174.378 174.378 174.869 -0.491 17857 9439 1 18 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.828 -0.277 17857 9440 1 18 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.561 -0.463 17857 9441 1 18 . 1 1 69 69 VAL H H 69 9.134 9.134 8.818 0.316 17857 9442 1 18 . 1 1 70 70 ASP N N 70 121.337 121.337 121.752 -0.415 17857 9443 1 18 . 1 1 70 70 ASP HA H 70 5.531 5.531 5.075 0.456 17857 9444 1 18 . 1 1 70 70 ASP C C 70 176.081 176.081 177.031 -0.950 17857 9445 1 18 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.535 -1.220 17857 9446 1 18 . 1 1 70 70 ASP CB C 70 42.873 42.873 43.124 -0.251 17857 9447 1 18 . 1 1 70 70 ASP H H 70 8.233 8.233 8.101 0.132 17857 9448 1 18 . 1 1 71 71 PHE N N 71 119.131 119.131 121.250 -2.119 17857 9449 1 18 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.661 -0.212 17857 9450 1 18 . 1 1 71 71 PHE C C 71 176.693 176.693 176.902 -0.209 17857 9451 1 18 . 1 1 71 71 PHE CA C 71 61.576 61.576 61.980 -0.404 17857 9452 1 18 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.055 1.413 17857 9453 1 18 . 1 1 71 71 PHE H H 71 9.370 9.370 8.710 0.660 17857 9454 1 18 . 1 1 72 72 GLN N N 72 116.462 116.462 117.800 -1.338 17857 9455 1 18 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.859 -0.421 17857 9456 1 18 . 1 1 72 72 GLN C C 72 177.396 177.396 178.034 -0.638 17857 9457 1 18 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.265 1.502 17857 9458 1 18 . 1 1 72 72 GLN CB C 72 28.783 28.783 27.929 0.854 17857 9459 1 18 . 1 1 72 72 GLN H H 72 8.096 8.096 8.732 -0.636 17857 9460 1 18 . 1 1 73 73 GLU N N 73 119.541 119.541 118.636 0.905 17857 9461 1 18 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.120 -0.133 17857 9462 1 18 . 1 1 73 73 GLU C C 73 178.861 178.861 178.422 0.439 17857 9463 1 18 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.508 0.771 17857 9464 1 18 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.370 0.936 17857 9465 1 18 . 1 1 73 73 GLU H H 73 8.139 8.139 8.490 -0.351 17857 9466 1 18 . 1 1 74 74 TYR N N 74 122.065 122.065 121.812 0.253 17857 9467 1 18 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.220 0.102 17857 9468 1 18 . 1 1 74 74 TYR C C 74 175.562 175.562 176.997 -1.435 17857 9469 1 18 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.426 -1.099 17857 9470 1 18 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.781 -1.914 17857 9471 1 18 . 1 1 74 74 TYR H H 74 8.157 8.157 7.931 0.226 17857 9472 1 18 . 1 1 75 75 VAL N N 75 119.872 119.872 116.810 3.062 17857 9473 1 18 . 1 1 75 75 VAL HA H 75 2.670 2.670 3.161 -0.491 17857 9474 1 18 . 1 1 75 75 VAL C C 75 177.425 177.425 177.143 0.282 17857 9475 1 18 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.655 1.346 17857 9476 1 18 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.865 -0.164 17857 9477 1 18 . 1 1 75 75 VAL H H 75 7.915 7.915 7.647 0.268 17857 9478 1 18 . 1 1 76 76 VAL N N 76 119.169 119.169 120.442 -1.273 17857 9479 1 18 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.432 -0.082 17857 9480 1 18 . 1 1 76 76 VAL C C 76 178.933 178.933 177.982 0.951 17857 9481 1 18 . 1 1 76 76 VAL CA C 76 66.800 66.800 66.143 0.657 17857 9482 1 18 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.521 0.079 17857 9483 1 18 . 1 1 76 76 VAL H H 76 7.545 7.545 7.068 0.477 17857 9484 1 18 . 1 1 77 77 LEU N N 77 121.356 121.356 119.662 1.694 17857 9485 1 18 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.894 0.285 17857 9486 1 18 . 1 1 77 77 LEU C C 77 179.226 179.226 178.652 0.574 17857 9487 1 18 . 1 1 77 77 LEU CA C 77 58.273 58.273 58.066 0.207 17857 9488 1 18 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.203 0.789 17857 9489 1 18 . 1 1 77 77 LEU H H 77 7.789 7.789 7.254 0.535 17857 9490 1 18 . 1 1 78 78 VAL N N 78 119.358 119.358 117.870 1.488 17857 9491 1 18 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.388 0.065 17857 9492 1 18 . 1 1 78 78 VAL C C 78 180.653 180.653 177.451 3.202 17857 9493 1 18 . 1 1 78 78 VAL CA C 78 67.253 67.253 66.382 0.871 17857 9494 1 18 . 1 1 78 78 VAL CB C 78 31.392 31.392 31.265 0.127 17857 9495 1 18 . 1 1 78 78 VAL H H 78 8.350 8.350 7.340 1.010 17857 9496 1 18 . 1 1 79 79 ALA N N 79 125.018 125.018 118.954 6.064 17857 9497 1 18 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.109 -0.071 17857 9498 1 18 . 1 1 79 79 ALA C C 79 178.321 178.321 178.283 0.038 17857 9499 1 18 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.442 2.639 17857 9500 1 18 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.465 -0.176 17857 9501 1 18 . 1 1 79 79 ALA H H 79 9.009 9.009 7.510 1.499 17857 9502 1 18 . 1 1 80 80 ALA N N 80 121.933 121.933 123.594 -1.661 17857 9503 1 18 . 1 1 80 80 ALA HA H 80 4.003 4.003 3.974 0.029 17857 9504 1 18 . 1 1 80 80 ALA C C 80 181.548 181.548 179.183 2.365 17857 9505 1 18 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.999 0.420 17857 9506 1 18 . 1 1 80 80 ALA CB C 80 17.669 17.669 17.988 -0.319 17857 9507 1 18 . 1 1 80 80 ALA H H 80 8.311 8.311 7.250 1.061 17857 9508 1 18 . 1 1 81 81 LEU N N 81 117.563 117.563 115.074 2.489 17857 9509 1 18 . 1 1 81 81 LEU HA H 81 4.033 4.033 3.943 0.090 17857 9510 1 18 . 1 1 81 81 LEU C C 81 178.536 178.536 178.476 0.060 17857 9511 1 18 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.249 0.414 17857 9512 1 18 . 1 1 81 81 LEU CB C 81 41.953 41.953 40.985 0.968 17857 9513 1 18 . 1 1 81 81 LEU H H 81 8.056 8.056 7.495 0.561 17857 9514 1 18 . 1 1 82 82 THR N N 82 117.473 117.473 116.184 1.289 17857 9515 1 18 . 1 1 82 82 THR HA H 82 3.669 3.669 3.162 0.507 17857 9516 1 18 . 1 1 82 82 THR C C 82 176.658 176.658 175.607 1.051 17857 9517 1 18 . 1 1 82 82 THR CA C 82 68.836 68.836 65.842 2.994 17857 9518 1 18 . 1 1 82 82 THR CB C 82 67.515 67.515 68.379 -0.864 17857 9519 1 18 . 1 1 82 82 THR H H 82 8.299 8.299 7.221 1.078 17857 9520 1 18 . 1 1 83 83 VAL N N 83 121.111 121.111 119.075 2.036 17857 9521 1 18 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.636 -0.510 17857 9522 1 18 . 1 1 83 83 VAL C C 83 176.323 176.323 177.955 -1.632 17857 9523 1 18 . 1 1 83 83 VAL CA C 83 65.247 65.247 65.747 -0.500 17857 9524 1 18 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.304 -0.282 17857 9525 1 18 . 1 1 83 83 VAL H H 83 7.953 7.953 7.587 0.366 17857 9526 1 18 . 1 1 84 84 ALA N N 84 117.068 117.068 123.125 -6.057 17857 9527 1 18 . 1 1 84 84 ALA HA H 84 4.573 4.573 3.874 0.699 17857 9528 1 18 . 1 1 84 84 ALA C C 84 177.919 177.919 178.200 -0.281 17857 9529 1 18 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.769 -0.749 17857 9530 1 18 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.415 2.528 17857 9531 1 18 . 1 1 84 84 ALA H H 84 7.105 7.105 7.513 -0.408 17857 9532 1 18 . 1 1 85 85 CYS N N 85 112.195 112.195 113.137 -0.942 17857 9533 1 18 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.441 0.099 17857 9534 1 18 . 1 1 85 85 CYS C C 85 173.282 173.282 173.596 -0.314 17857 9535 1 18 . 1 1 85 85 CYS CA C 85 60.342 60.342 58.965 1.377 17857 9536 1 18 . 1 1 85 85 CYS CB C 85 32.440 32.440 27.206 5.234 17857 9537 1 18 . 1 1 85 85 CYS H H 85 7.371 7.371 7.397 -0.026 17857 9538 1 18 . 1 1 86 86 ASN N N 86 118.815 118.815 119.918 -1.103 17857 9539 1 18 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.780 -0.283 17857 9540 1 18 . 1 1 86 86 ASN CA C 86 54.737 54.737 53.261 1.476 17857 9541 1 18 . 1 1 86 86 ASN CB C 86 42.130 42.130 38.694 3.436 17857 9542 1 18 . 1 1 86 86 ASN H H 86 8.347 8.347 7.469 0.878 17857 9543 1 18 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.929 -0.604 17857 9544 1 18 . 1 1 87 87 ASN C C 87 176.216 176.216 174.630 1.586 17857 9545 1 18 . 1 1 87 87 ASN CA C 87 56.570 56.570 52.171 4.399 17857 9546 1 18 . 1 1 87 87 ASN CB C 87 38.479 38.479 38.210 0.269 17857 9547 1 18 . 1 1 88 88 PHE N N 88 120.522 120.522 120.540 -0.018 17857 9548 1 18 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.409 -0.312 17857 9549 1 18 . 1 1 88 88 PHE C C 88 176.803 176.803 176.109 0.694 17857 9550 1 18 . 1 1 88 88 PHE CA C 88 61.023 61.023 60.683 0.340 17857 9551 1 18 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.830 -0.148 17857 9552 1 18 . 1 1 88 88 PHE H H 88 8.642 8.642 7.882 0.760 17857 9553 1 18 . 1 1 89 89 PHE N N 89 112.727 112.727 115.273 -2.546 17857 9554 1 18 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.603 -0.800 17857 9555 1 18 . 1 1 89 89 PHE C C 89 173.691 173.691 175.350 -1.659 17857 9556 1 18 . 1 1 89 89 PHE CA C 89 59.208 59.208 57.349 1.859 17857 9557 1 18 . 1 1 89 89 PHE CB C 89 39.029 39.029 40.026 -0.997 17857 9558 1 18 . 1 1 89 89 PHE H H 89 7.408 7.408 8.375 -0.967 17857 9559 1 18 . 1 1 90 90 TRP N N 90 118.731 118.731 123.301 -4.570 17857 9560 1 18 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.608 -0.018 17857 9561 1 18 . 1 1 90 90 TRP C C 90 175.269 175.269 175.949 -0.680 17857 9562 1 18 . 1 1 90 90 TRP CA C 90 56.840 56.840 57.697 -0.857 17857 9563 1 18 . 1 1 90 90 TRP CB C 90 31.400 31.400 28.066 3.334 17857 9564 1 18 . 1 1 90 90 TRP H H 90 7.359 7.359 8.349 -0.990 17857 9565 1 18 . 1 1 91 91 GLU N N 91 121.302 121.302 119.720 1.582 17857 9566 1 18 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.369 -0.027 17857 9567 1 18 . 1 1 91 91 GLU C C 91 176.081 176.081 174.529 1.552 17857 9568 1 18 . 1 1 91 91 GLU CA C 91 56.857 56.857 54.982 1.875 17857 9569 1 18 . 1 1 91 91 GLU CB C 91 30.548 30.548 32.497 -1.949 17857 9570 1 18 . 1 1 91 91 GLU H H 91 7.766 7.766 7.870 -0.104 17857 9571 1 18 . 1 1 92 92 ASN N N 92 120.522 120.522 121.788 -1.266 17857 9572 1 18 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.476 0.291 17857 9573 1 18 . 1 1 92 92 ASN C C 92 174.283 174.283 174.732 -0.449 17857 9574 1 18 . 1 1 92 92 ASN CA C 92 53.407 53.407 53.970 -0.563 17857 9575 1 18 . 1 1 92 92 ASN CB C 92 39.276 39.276 38.334 0.942 17857 9576 1 18 . 1 1 92 92 ASN H H 92 8.462 8.462 8.606 -0.144 17857 9577 1 19 . 1 1 2 2 SER N N 2 118.698 118.698 117.811 0.887 17857 9578 1 19 . 1 1 2 2 SER HA H 2 4.691 4.691 4.487 0.204 17857 9579 1 19 . 1 1 2 2 SER C C 2 175.496 175.496 175.490 0.006 17857 9580 1 19 . 1 1 2 2 SER CA C 2 57.481 57.481 57.642 -0.161 17857 9581 1 19 . 1 1 2 2 SER CB C 2 65.371 65.371 64.502 0.869 17857 9582 1 19 . 1 1 2 2 SER H H 2 9.211 9.211 8.567 0.644 17857 9583 1 19 . 1 1 3 3 GLU N N 3 122.860 122.860 122.849 0.011 17857 9584 1 19 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.132 -0.017 17857 9585 1 19 . 1 1 3 3 GLU C C 3 179.171 179.171 178.511 0.660 17857 9586 1 19 . 1 1 3 3 GLU CA C 3 60.757 60.757 58.928 1.829 17857 9587 1 19 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.477 -0.438 17857 9588 1 19 . 1 1 3 3 GLU H H 3 9.205 9.205 8.971 0.234 17857 9589 1 19 . 1 1 4 4 LEU N N 4 120.718 120.718 119.340 1.378 17857 9590 1 19 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.027 0.009 17857 9591 1 19 . 1 1 4 4 LEU C C 4 178.360 178.360 178.277 0.083 17857 9592 1 19 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.495 0.416 17857 9593 1 19 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.772 0.590 17857 9594 1 19 . 1 1 4 4 LEU H H 4 8.854 8.854 8.091 0.763 17857 9595 1 19 . 1 1 5 5 GLU N N 5 118.542 118.542 118.437 0.105 17857 9596 1 19 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.976 -0.721 17857 9597 1 19 . 1 1 5 5 GLU C C 5 179.204 179.204 178.789 0.415 17857 9598 1 19 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.781 0.036 17857 9599 1 19 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.359 -0.156 17857 9600 1 19 . 1 1 5 5 GLU H H 5 7.791 7.791 7.720 0.071 17857 9601 1 19 . 1 1 6 6 THR N N 6 115.783 115.783 114.040 1.743 17857 9602 1 19 . 1 1 6 6 THR HA H 6 4.017 4.017 4.278 -0.261 17857 9603 1 19 . 1 1 6 6 THR C C 6 176.807 176.807 175.989 0.818 17857 9604 1 19 . 1 1 6 6 THR CA C 6 66.668 66.668 63.304 3.364 17857 9605 1 19 . 1 1 6 6 THR CB C 6 68.763 68.763 68.569 0.194 17857 9606 1 19 . 1 1 6 6 THR H H 6 8.371 8.371 7.599 0.772 17857 9607 1 19 . 1 1 7 7 ALA N N 7 125.707 125.707 124.818 0.889 17857 9608 1 19 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.028 0.244 17857 9609 1 19 . 1 1 7 7 ALA C C 7 179.856 179.856 179.608 0.248 17857 9610 1 19 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.355 0.347 17857 9611 1 19 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.461 -0.231 17857 9612 1 19 . 1 1 7 7 ALA H H 7 8.267 8.267 8.410 -0.143 17857 9613 1 19 . 1 1 8 8 MET N N 8 115.222 115.222 115.360 -0.138 17857 9614 1 19 . 1 1 8 8 MET HA H 8 4.858 4.858 4.410 0.448 17857 9615 1 19 . 1 1 8 8 MET C C 8 179.635 179.635 178.523 1.112 17857 9616 1 19 . 1 1 8 8 MET CA C 8 56.669 56.669 56.693 -0.024 17857 9617 1 19 . 1 1 8 8 MET CB C 8 29.136 29.136 31.440 -2.304 17857 9618 1 19 . 1 1 8 8 MET H H 8 8.106 8.106 7.636 0.470 17857 9619 1 19 . 1 1 9 9 GLU N N 9 120.456 120.456 119.647 0.809 17857 9620 1 19 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.128 -0.013 17857 9621 1 19 . 1 1 9 9 GLU C C 9 179.531 179.531 179.411 0.120 17857 9622 1 19 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.244 1.387 17857 9623 1 19 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.037 -0.060 17857 9624 1 19 . 1 1 9 9 GLU H H 9 8.658 8.658 8.018 0.640 17857 9625 1 19 . 1 1 10 10 THR N N 10 118.547 118.547 116.342 2.205 17857 9626 1 19 . 1 1 10 10 THR HA H 10 4.116 4.116 4.128 -0.012 17857 9627 1 19 . 1 1 10 10 THR C C 10 175.942 175.942 176.253 -0.311 17857 9628 1 19 . 1 1 10 10 THR CA C 10 67.521 67.521 66.270 1.251 17857 9629 1 19 . 1 1 10 10 THR CB C 10 67.933 67.933 68.949 -1.016 17857 9630 1 19 . 1 1 10 10 THR H H 10 8.417 8.417 7.959 0.458 17857 9631 1 19 . 1 1 11 11 LEU N N 11 121.715 121.715 122.564 -0.849 17857 9632 1 19 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.248 -0.181 17857 9633 1 19 . 1 1 11 11 LEU C C 11 181.784 181.784 179.058 2.726 17857 9634 1 19 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.243 2.200 17857 9635 1 19 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.195 -0.202 17857 9636 1 19 . 1 1 11 11 LEU H H 11 8.324 8.324 7.375 0.949 17857 9637 1 19 . 1 1 12 12 ILE N N 12 121.081 121.081 119.147 1.934 17857 9638 1 19 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.895 -0.331 17857 9639 1 19 . 1 1 12 12 ILE C C 12 176.221 176.221 176.936 -0.715 17857 9640 1 19 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.419 1.759 17857 9641 1 19 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.922 0.473 17857 9642 1 19 . 1 1 12 12 ILE H H 12 8.419 8.419 7.944 0.475 17857 9643 1 19 . 1 1 13 13 ASN N N 13 120.254 120.254 118.504 1.750 17857 9644 1 19 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.558 -0.188 17857 9645 1 19 . 1 1 13 13 ASN C C 13 179.124 179.124 177.209 1.915 17857 9646 1 19 . 1 1 13 13 ASN CA C 13 56.615 56.615 56.140 0.475 17857 9647 1 19 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.347 -0.192 17857 9648 1 19 . 1 1 13 13 ASN H H 13 8.593 8.593 7.951 0.642 17857 9649 1 19 . 1 1 14 14 VAL N N 14 121.599 121.599 117.889 3.710 17857 9650 1 19 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.674 0.182 17857 9651 1 19 . 1 1 14 14 VAL C C 14 177.155 177.155 176.969 0.186 17857 9652 1 19 . 1 1 14 14 VAL CA C 14 66.705 66.705 64.686 2.019 17857 9653 1 19 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.508 0.376 17857 9654 1 19 . 1 1 14 14 VAL H H 14 8.838 8.838 7.417 1.421 17857 9655 1 19 . 1 1 15 15 PHE N N 15 120.139 120.139 122.783 -2.644 17857 9656 1 19 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.923 -0.324 17857 9657 1 19 . 1 1 15 15 PHE C C 15 177.601 177.601 176.929 0.672 17857 9658 1 19 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.288 0.111 17857 9659 1 19 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.104 0.528 17857 9660 1 19 . 1 1 15 15 PHE H H 15 7.456 7.456 7.556 -0.100 17857 9661 1 19 . 1 1 16 16 HIS N N 16 118.175 118.175 117.994 0.181 17857 9662 1 19 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.495 0.648 17857 9663 1 19 . 1 1 16 16 HIS C C 16 177.972 177.972 177.294 0.678 17857 9664 1 19 . 1 1 16 16 HIS CA C 16 55.795 55.795 57.744 -1.949 17857 9665 1 19 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.510 1.817 17857 9666 1 19 . 1 1 16 16 HIS H H 16 9.137 9.137 8.536 0.601 17857 9667 1 19 . 1 1 17 17 ALA N N 17 121.734 121.734 121.409 0.325 17857 9668 1 19 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.079 -0.259 17857 9669 1 19 . 1 1 17 17 ALA C C 17 178.713 178.713 178.319 0.394 17857 9670 1 19 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.129 0.488 17857 9671 1 19 . 1 1 17 17 ALA CB C 17 17.700 17.700 18.115 -0.415 17857 9672 1 19 . 1 1 17 17 ALA H H 17 8.133 8.133 6.930 1.203 17857 9673 1 19 . 1 1 18 18 HIS N N 18 113.408 113.408 115.614 -2.206 17857 9674 1 19 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.554 -0.234 17857 9675 1 19 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.632 0.206 17857 9676 1 19 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.536 2.112 17857 9677 1 19 . 1 1 18 18 HIS H H 18 7.286 7.286 7.433 -0.147 17857 9678 1 19 . 1 1 19 19 SER N N 19 120.877 120.877 115.129 5.748 17857 9679 1 19 . 1 1 19 19 SER HA H 19 4.124 4.124 4.169 -0.045 17857 9680 1 19 . 1 1 19 19 SER C C 19 176.676 176.676 175.943 0.733 17857 9681 1 19 . 1 1 19 19 SER CA C 19 60.979 60.979 60.494 0.485 17857 9682 1 19 . 1 1 19 19 SER CB C 19 61.813 61.813 63.162 -1.349 17857 9683 1 19 . 1 1 19 19 SER H H 19 9.322 9.322 8.326 0.996 17857 9684 1 19 . 1 1 20 20 GLY N N 20 107.206 107.206 108.802 -1.596 17857 9685 1 19 . 1 1 20 20 GLY C C 20 174.913 174.913 174.321 0.592 17857 9686 1 19 . 1 1 20 20 GLY CA C 20 45.281 45.281 44.751 0.530 17857 9687 1 19 . 1 1 20 20 GLY H H 20 8.233 8.233 7.654 0.579 17857 9688 1 19 . 1 1 21 21 LYS N N 21 118.717 118.717 119.853 -1.136 17857 9689 1 19 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.429 -0.388 17857 9690 1 19 . 1 1 21 21 LYS C C 21 176.623 176.623 176.108 0.515 17857 9691 1 19 . 1 1 21 21 LYS CA C 21 58.185 58.185 54.879 3.306 17857 9692 1 19 . 1 1 21 21 LYS CB C 21 33.157 33.157 33.799 -0.642 17857 9693 1 19 . 1 1 21 21 LYS H H 21 7.333 7.333 7.161 0.172 17857 9694 1 19 . 1 1 22 22 GLU N N 22 116.257 116.257 119.384 -3.127 17857 9695 1 19 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.058 0.383 17857 9696 1 19 . 1 1 22 22 GLU C C 22 175.554 175.554 177.504 -1.950 17857 9697 1 19 . 1 1 22 22 GLU CA C 22 55.488 55.488 57.788 -2.300 17857 9698 1 19 . 1 1 22 22 GLU CB C 22 31.892 31.892 29.782 2.110 17857 9699 1 19 . 1 1 22 22 GLU H H 22 7.603 7.603 8.480 -0.877 17857 9700 1 19 . 1 1 23 23 GLY N N 23 108.614 108.614 115.139 -6.525 17857 9701 1 19 . 1 1 23 23 GLY C C 23 173.976 173.976 174.138 -0.162 17857 9702 1 19 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.840 1.184 17857 9703 1 19 . 1 1 23 23 GLY H H 23 8.261 8.261 8.478 -0.217 17857 9704 1 19 . 1 1 24 24 ASP N N 24 124.252 124.252 124.033 0.219 17857 9705 1 19 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.604 -0.045 17857 9706 1 19 . 1 1 24 24 ASP C C 24 177.376 177.376 177.039 0.337 17857 9707 1 19 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.665 -0.841 17857 9708 1 19 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.274 1.418 17857 9709 1 19 . 1 1 24 24 ASP H H 24 8.313 8.313 8.546 -0.233 17857 9710 1 19 . 1 1 25 25 LYS N N 25 125.006 125.006 113.782 11.224 17857 9711 1 19 . 1 1 25 25 LYS HA H 25 4.137 4.137 3.893 0.244 17857 9712 1 19 . 1 1 25 25 LYS C C 25 175.980 175.980 174.967 1.013 17857 9713 1 19 . 1 1 25 25 LYS CA C 25 57.436 57.436 57.743 -0.307 17857 9714 1 19 . 1 1 25 25 LYS CB C 25 32.345 32.345 29.946 2.399 17857 9715 1 19 . 1 1 25 25 LYS H H 25 8.327 8.327 8.108 0.219 17857 9716 1 19 . 1 1 26 26 TYR N N 26 117.300 117.300 113.609 3.691 17857 9717 1 19 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.629 0.457 17857 9718 1 19 . 1 1 26 26 TYR C C 26 175.592 175.592 174.743 0.849 17857 9719 1 19 . 1 1 26 26 TYR CA C 26 57.552 57.552 58.869 -1.317 17857 9720 1 19 . 1 1 26 26 TYR CB C 26 38.052 38.052 40.712 -2.660 17857 9721 1 19 . 1 1 26 26 TYR H H 26 8.490 8.490 8.061 0.429 17857 9722 1 19 . 1 1 27 27 LYS N N 27 117.820 117.820 119.114 -1.294 17857 9723 1 19 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.822 0.681 17857 9724 1 19 . 1 1 27 27 LYS C C 27 174.259 174.259 175.520 -1.261 17857 9725 1 19 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.931 -0.837 17857 9726 1 19 . 1 1 27 27 LYS CB C 27 37.626 37.626 34.485 3.141 17857 9727 1 19 . 1 1 27 27 LYS H H 27 7.793 7.793 7.655 0.138 17857 9728 1 19 . 1 1 28 28 LEU N N 28 120.282 120.282 122.818 -2.536 17857 9729 1 19 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.466 0.282 17857 9730 1 19 . 1 1 28 28 LEU C C 28 176.038 176.038 176.095 -0.057 17857 9731 1 19 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.326 -0.284 17857 9732 1 19 . 1 1 28 28 LEU CB C 28 46.382 46.382 44.336 2.046 17857 9733 1 19 . 1 1 28 28 LEU H H 28 8.692 8.692 8.055 0.637 17857 9734 1 19 . 1 1 29 29 SER N N 29 119.669 119.669 121.971 -2.302 17857 9735 1 19 . 1 1 29 29 SER HA H 29 5.121 5.121 4.512 0.609 17857 9736 1 19 . 1 1 29 29 SER C C 29 175.936 175.936 175.234 0.702 17857 9737 1 19 . 1 1 29 29 SER CA C 29 57.760 57.760 59.107 -1.347 17857 9738 1 19 . 1 1 29 29 SER CB C 29 64.689 64.689 63.921 0.768 17857 9739 1 19 . 1 1 29 29 SER H H 29 8.797 8.797 8.573 0.224 17857 9740 1 19 . 1 1 30 30 LYS N N 30 124.194 124.194 118.443 5.751 17857 9741 1 19 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.402 -0.541 17857 9742 1 19 . 1 1 30 30 LYS C C 30 178.523 178.523 178.201 0.322 17857 9743 1 19 . 1 1 30 30 LYS CA C 30 61.591 61.591 57.836 3.755 17857 9744 1 19 . 1 1 30 30 LYS CB C 30 32.004 32.004 33.627 -1.623 17857 9745 1 19 . 1 1 30 30 LYS H H 30 8.842 8.842 8.543 0.299 17857 9746 1 19 . 1 1 31 31 LYS N N 31 119.922 119.922 120.283 -0.361 17857 9747 1 19 . 1 1 31 31 LYS HA H 31 4.157 4.157 4.024 0.133 17857 9748 1 19 . 1 1 31 31 LYS C C 31 179.293 179.293 178.502 0.791 17857 9749 1 19 . 1 1 31 31 LYS CA C 31 59.426 59.426 58.882 0.544 17857 9750 1 19 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.465 0.121 17857 9751 1 19 . 1 1 31 31 LYS H H 31 8.786 8.786 8.281 0.505 17857 9752 1 19 . 1 1 32 32 GLN N N 32 119.859 119.859 117.376 2.483 17857 9753 1 19 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.060 0.057 17857 9754 1 19 . 1 1 32 32 GLN C C 32 179.272 179.272 177.670 1.602 17857 9755 1 19 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.238 -0.060 17857 9756 1 19 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.385 0.435 17857 9757 1 19 . 1 1 32 32 GLN H H 32 7.769 7.769 8.108 -0.339 17857 9758 1 19 . 1 1 33 33 LEU N N 33 122.146 122.146 121.130 1.016 17857 9759 1 19 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.876 0.169 17857 9760 1 19 . 1 1 33 33 LEU C C 33 177.408 177.408 178.234 -0.826 17857 9761 1 19 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.042 -0.707 17857 9762 1 19 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.697 -1.150 17857 9763 1 19 . 1 1 33 33 LEU H H 33 8.918 8.918 7.645 1.273 17857 9764 1 19 . 1 1 34 34 LYS N N 34 120.726 120.726 118.244 2.482 17857 9765 1 19 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.862 -0.236 17857 9766 1 19 . 1 1 34 34 LYS C C 34 177.675 177.675 179.068 -1.393 17857 9767 1 19 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.655 1.330 17857 9768 1 19 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.159 -0.159 17857 9769 1 19 . 1 1 34 34 LYS H H 34 8.423 8.423 8.002 0.421 17857 9770 1 19 . 1 1 35 35 GLU N N 35 116.999 116.999 119.224 -2.225 17857 9771 1 19 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.149 -0.079 17857 9772 1 19 . 1 1 35 35 GLU C C 35 179.003 179.003 178.714 0.289 17857 9773 1 19 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.016 0.486 17857 9774 1 19 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.680 -0.284 17857 9775 1 19 . 1 1 35 35 GLU H H 35 7.186 7.186 7.478 -0.292 17857 9776 1 19 . 1 1 36 36 LEU N N 36 122.908 122.908 120.306 2.602 17857 9777 1 19 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.134 -0.421 17857 9778 1 19 . 1 1 36 36 LEU C C 36 178.810 178.810 178.716 0.094 17857 9779 1 19 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.156 1.278 17857 9780 1 19 . 1 1 36 36 LEU CB C 36 42.303 42.303 40.992 1.311 17857 9781 1 19 . 1 1 36 36 LEU H H 36 8.141 8.141 7.656 0.485 17857 9782 1 19 . 1 1 37 37 LEU N N 37 119.746 119.746 120.548 -0.802 17857 9783 1 19 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.843 -0.154 17857 9784 1 19 . 1 1 37 37 LEU C C 37 178.128 178.128 179.217 -1.089 17857 9785 1 19 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.817 -0.401 17857 9786 1 19 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.427 0.096 17857 9787 1 19 . 1 1 37 37 LEU H H 37 8.772 8.772 8.785 -0.013 17857 9788 1 19 . 1 1 38 38 GLN N N 38 113.312 113.312 116.441 -3.129 17857 9789 1 19 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.076 -0.309 17857 9790 1 19 . 1 1 38 38 GLN C C 38 177.536 177.536 177.787 -0.251 17857 9791 1 19 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.710 0.076 17857 9792 1 19 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.558 0.456 17857 9793 1 19 . 1 1 38 38 GLN H H 38 8.082 8.082 8.160 -0.078 17857 9794 1 19 . 1 1 39 39 THR N N 39 109.779 109.779 113.455 -3.676 17857 9795 1 19 . 1 1 39 39 THR HA H 39 4.312 4.312 4.099 0.213 17857 9796 1 19 . 1 1 39 39 THR C C 39 176.802 176.802 176.212 0.590 17857 9797 1 19 . 1 1 39 39 THR CA C 39 64.576 64.576 65.133 -0.557 17857 9798 1 19 . 1 1 39 39 THR CB C 39 69.847 69.847 68.821 1.026 17857 9799 1 19 . 1 1 39 39 THR H H 39 7.683 7.683 7.718 -0.035 17857 9800 1 19 . 1 1 40 40 GLU N N 40 118.440 118.440 119.518 -1.078 17857 9801 1 19 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.276 0.440 17857 9802 1 19 . 1 1 40 40 GLU C C 40 177.106 177.106 177.760 -0.654 17857 9803 1 19 . 1 1 40 40 GLU CA C 40 56.922 56.922 58.065 -1.143 17857 9804 1 19 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.093 0.169 17857 9805 1 19 . 1 1 40 40 GLU H H 40 8.971 8.971 8.421 0.550 17857 9806 1 19 . 1 1 41 41 LEU N N 41 119.219 119.219 120.039 -0.820 17857 9807 1 19 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.350 0.778 17857 9808 1 19 . 1 1 41 41 LEU C C 41 177.669 177.669 177.456 0.213 17857 9809 1 19 . 1 1 41 41 LEU CA C 41 53.300 53.300 55.240 -1.940 17857 9810 1 19 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.897 -0.689 17857 9811 1 19 . 1 1 41 41 LEU H H 41 7.733 7.733 7.972 -0.239 17857 9812 1 19 . 1 1 42 42 SER N N 42 112.897 112.897 111.398 1.499 17857 9813 1 19 . 1 1 42 42 SER HA H 42 3.880 3.880 4.124 -0.244 17857 9814 1 19 . 1 1 42 42 SER C C 42 176.429 176.429 174.144 2.285 17857 9815 1 19 . 1 1 42 42 SER CA C 42 61.867 61.867 58.770 3.097 17857 9816 1 19 . 1 1 42 42 SER CB C 42 62.864 62.864 62.400 0.464 17857 9817 1 19 . 1 1 42 42 SER H H 42 6.915 6.915 8.696 -1.781 17857 9818 1 19 . 1 1 43 43 GLY N N 43 114.357 114.357 105.828 8.529 17857 9819 1 19 . 1 1 43 43 GLY C C 43 178.051 178.051 174.708 3.343 17857 9820 1 19 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.273 1.571 17857 9821 1 19 . 1 1 43 43 GLY H H 43 9.244 9.244 8.238 1.006 17857 9822 1 19 . 1 1 44 44 PHE N N 44 124.297 124.297 121.203 3.094 17857 9823 1 19 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.302 0.291 17857 9824 1 19 . 1 1 44 44 PHE C C 44 178.168 178.168 178.067 0.101 17857 9825 1 19 . 1 1 44 44 PHE CA C 44 57.510 57.510 60.018 -2.508 17857 9826 1 19 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.143 -2.000 17857 9827 1 19 . 1 1 44 44 PHE H H 44 8.273 8.273 7.843 0.430 17857 9828 1 19 . 1 1 45 45 LEU N N 45 116.097 116.097 116.680 -0.583 17857 9829 1 19 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.096 0.080 17857 9830 1 19 . 1 1 45 45 LEU C C 45 179.069 179.069 178.026 1.043 17857 9831 1 19 . 1 1 45 45 LEU CA C 45 57.580 57.580 57.525 0.056 17857 9832 1 19 . 1 1 45 45 LEU CB C 45 41.377 41.377 40.785 0.592 17857 9833 1 19 . 1 1 45 45 LEU H H 45 8.559 8.559 7.829 0.730 17857 9834 1 19 . 1 1 46 46 ASP N N 46 119.849 119.849 121.211 -1.362 17857 9835 1 19 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.450 0.263 17857 9836 1 19 . 1 1 46 46 ASP C C 46 176.152 176.152 175.758 0.394 17857 9837 1 19 . 1 1 46 46 ASP CA C 46 55.845 55.845 55.562 0.283 17857 9838 1 19 . 1 1 46 46 ASP CB C 46 41.640 41.640 40.645 0.995 17857 9839 1 19 . 1 1 46 46 ASP H H 46 7.707 7.707 8.430 -0.723 17857 9840 1 19 . 1 1 47 47 ALA N N 47 124.027 124.027 121.646 2.381 17857 9841 1 19 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.531 0.077 17857 9842 1 19 . 1 1 47 47 ALA C C 47 176.271 176.271 175.596 0.675 17857 9843 1 19 . 1 1 47 47 ALA CA C 47 50.721 50.721 51.603 -0.882 17857 9844 1 19 . 1 1 47 47 ALA CB C 47 18.985 18.985 19.775 -0.790 17857 9845 1 19 . 1 1 47 47 ALA H H 47 7.710 7.710 7.160 0.550 17857 9846 1 19 . 1 1 48 48 GLN N N 48 117.138 117.138 119.404 -2.266 17857 9847 1 19 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.492 -0.377 17857 9848 1 19 . 1 1 48 48 GLN C C 48 175.907 175.907 175.354 0.553 17857 9849 1 19 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.407 1.667 17857 9850 1 19 . 1 1 48 48 GLN CB C 48 30.504 30.504 29.782 0.722 17857 9851 1 19 . 1 1 48 48 GLN H H 48 7.562 7.562 8.003 -0.441 17857 9852 1 19 . 1 1 49 49 LYS N N 49 121.265 121.265 121.958 -0.693 17857 9853 1 19 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.424 -0.275 17857 9854 1 19 . 1 1 49 49 LYS C C 49 176.157 176.157 177.133 -0.976 17857 9855 1 19 . 1 1 49 49 LYS CA C 49 56.337 56.337 56.154 0.184 17857 9856 1 19 . 1 1 49 49 LYS CB C 49 31.231 31.231 33.018 -1.787 17857 9857 1 19 . 1 1 49 49 LYS H H 49 7.974 7.974 8.731 -0.757 17857 9858 1 19 . 1 1 50 50 ASP N N 50 119.019 119.019 122.123 -3.104 17857 9859 1 19 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.684 -0.002 17857 9860 1 19 . 1 1 50 50 ASP C C 50 175.466 175.466 175.858 -0.392 17857 9861 1 19 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.663 -2.853 17857 9862 1 19 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.733 -1.778 17857 9863 1 19 . 1 1 50 50 ASP H H 50 7.523 7.523 8.041 -0.518 17857 9864 1 19 . 1 1 51 51 VAL N N 51 121.906 121.906 117.353 4.553 17857 9865 1 19 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.144 -0.283 17857 9866 1 19 . 1 1 51 51 VAL C C 51 178.158 178.158 176.926 1.232 17857 9867 1 19 . 1 1 51 51 VAL CA C 51 64.804 64.804 63.473 1.331 17857 9868 1 19 . 1 1 51 51 VAL CB C 51 31.831 31.831 33.142 -1.311 17857 9869 1 19 . 1 1 51 51 VAL H H 51 7.618 7.618 8.072 -0.454 17857 9870 1 19 . 1 1 52 52 ASP N N 52 119.692 119.692 121.179 -1.487 17857 9871 1 19 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.287 0.072 17857 9872 1 19 . 1 1 52 52 ASP C C 52 178.427 178.427 177.948 0.479 17857 9873 1 19 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.890 -0.531 17857 9874 1 19 . 1 1 52 52 ASP CB C 52 40.921 40.921 40.717 0.204 17857 9875 1 19 . 1 1 52 52 ASP H H 52 8.081 8.081 8.401 -0.320 17857 9876 1 19 . 1 1 53 53 ALA N N 53 122.046 122.046 120.238 1.808 17857 9877 1 19 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.102 -0.082 17857 9878 1 19 . 1 1 53 53 ALA C C 53 180.602 180.602 179.321 1.281 17857 9879 1 19 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.960 -0.230 17857 9880 1 19 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.358 0.509 17857 9881 1 19 . 1 1 53 53 ALA H H 53 7.538 7.538 8.222 -0.684 17857 9882 1 19 . 1 1 54 54 VAL N N 54 117.817 117.817 118.172 -0.355 17857 9883 1 19 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.680 -0.330 17857 9884 1 19 . 1 1 54 54 VAL C C 54 177.718 177.718 177.667 0.051 17857 9885 1 19 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.137 1.530 17857 9886 1 19 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.892 -0.177 17857 9887 1 19 . 1 1 54 54 VAL H H 54 7.286 7.286 7.476 -0.190 17857 9888 1 19 . 1 1 55 55 ASP N N 55 119.601 119.601 119.360 0.241 17857 9889 1 19 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.501 -0.214 17857 9890 1 19 . 1 1 55 55 ASP C C 55 178.508 178.508 177.948 0.560 17857 9891 1 19 . 1 1 55 55 ASP CA C 55 57.618 57.618 56.565 1.053 17857 9892 1 19 . 1 1 55 55 ASP CB C 55 41.227 41.227 41.044 0.183 17857 9893 1 19 . 1 1 55 55 ASP H H 55 8.456 8.456 8.456 0.000 17857 9894 1 19 . 1 1 56 56 LYS N N 56 117.890 117.890 120.764 -2.874 17857 9895 1 19 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.992 -0.057 17857 9896 1 19 . 1 1 56 56 LYS C C 56 179.509 179.509 178.394 1.115 17857 9897 1 19 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.181 0.708 17857 9898 1 19 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.117 0.403 17857 9899 1 19 . 1 1 56 56 LYS H H 56 7.921 7.921 7.595 0.327 17857 9900 1 19 . 1 1 57 57 VAL N N 57 119.196 119.196 117.497 1.699 17857 9901 1 19 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.784 -0.062 17857 9902 1 19 . 1 1 57 57 VAL C C 57 177.928 177.928 177.847 0.081 17857 9903 1 19 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.101 1.117 17857 9904 1 19 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.829 0.502 17857 9905 1 19 . 1 1 57 57 VAL H H 57 7.292 7.292 7.340 -0.048 17857 9906 1 19 . 1 1 58 58 MET N N 58 115.902 115.902 118.328 -2.426 17857 9907 1 19 . 1 1 58 58 MET HA H 58 4.128 4.128 4.206 -0.078 17857 9908 1 19 . 1 1 58 58 MET C C 58 178.952 178.952 178.127 0.825 17857 9909 1 19 . 1 1 58 58 MET CA C 58 57.582 57.582 56.663 0.919 17857 9910 1 19 . 1 1 58 58 MET CB C 58 31.511 31.511 31.044 0.467 17857 9911 1 19 . 1 1 58 58 MET H H 58 8.313 8.313 7.712 0.602 17857 9912 1 19 . 1 1 59 59 LYS N N 59 118.845 118.845 120.715 -1.870 17857 9913 1 19 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.869 0.203 17857 9914 1 19 . 1 1 59 59 LYS C C 59 179.149 179.149 178.040 1.109 17857 9915 1 19 . 1 1 59 59 LYS CA C 59 59.160 59.160 60.011 -0.852 17857 9916 1 19 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.126 0.419 17857 9917 1 19 . 1 1 59 59 LYS H H 59 8.563 8.563 8.132 0.431 17857 9918 1 19 . 1 1 60 60 GLU N N 60 119.868 119.868 119.267 0.601 17857 9919 1 19 . 1 1 60 60 GLU HA H 60 4.032 4.032 3.994 0.038 17857 9920 1 19 . 1 1 60 60 GLU C C 60 179.083 179.083 179.161 -0.078 17857 9921 1 19 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.267 0.499 17857 9922 1 19 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.343 -0.586 17857 9923 1 19 . 1 1 60 60 GLU H H 60 7.467 7.467 7.741 -0.274 17857 9924 1 19 . 1 1 61 61 LEU N N 61 116.866 116.866 118.855 -1.989 17857 9925 1 19 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.001 -0.034 17857 9926 1 19 . 1 1 61 61 LEU C C 61 177.870 177.870 179.091 -1.221 17857 9927 1 19 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.561 -0.310 17857 9928 1 19 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.465 -0.695 17857 9929 1 19 . 1 1 61 61 LEU H H 61 7.597 7.597 7.777 -0.180 17857 9930 1 19 . 1 1 62 62 ASP N N 62 115.773 115.773 117.571 -1.798 17857 9931 1 19 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.460 0.027 17857 9932 1 19 . 1 1 62 62 ASP C C 62 178.871 178.871 177.860 1.011 17857 9933 1 19 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.420 -0.299 17857 9934 1 19 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.855 0.971 17857 9935 1 19 . 1 1 62 62 ASP H H 62 7.509 7.509 7.524 -0.015 17857 9936 1 19 . 1 1 63 63 GLU N N 63 119.120 119.120 118.703 0.417 17857 9937 1 19 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.221 -0.090 17857 9938 1 19 . 1 1 63 63 GLU C C 63 176.937 176.937 177.919 -0.982 17857 9939 1 19 . 1 1 63 63 GLU CA C 63 58.053 58.053 57.932 0.121 17857 9940 1 19 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.186 -0.067 17857 9941 1 19 . 1 1 63 63 GLU H H 63 8.068 8.068 8.404 -0.336 17857 9942 1 19 . 1 1 64 64 ASN N N 64 117.779 117.779 116.999 0.780 17857 9943 1 19 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.722 0.400 17857 9944 1 19 . 1 1 64 64 ASN C C 64 176.299 176.299 175.632 0.667 17857 9945 1 19 . 1 1 64 64 ASN CA C 64 52.221 52.221 53.117 -0.896 17857 9946 1 19 . 1 1 64 64 ASN CB C 64 38.943 38.943 39.565 -0.622 17857 9947 1 19 . 1 1 64 64 ASN H H 64 7.719 7.719 8.523 -0.804 17857 9948 1 19 . 1 1 65 65 GLY N N 65 106.860 106.860 106.766 0.094 17857 9949 1 19 . 1 1 65 65 GLY C C 65 174.113 174.113 172.941 1.172 17857 9950 1 19 . 1 1 65 65 GLY CA C 65 47.965 47.965 45.993 1.972 17857 9951 1 19 . 1 1 65 65 GLY H H 65 7.705 7.705 8.509 -0.804 17857 9952 1 19 . 1 1 66 66 ASP N N 66 115.761 115.761 119.845 -4.084 17857 9953 1 19 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.819 0.018 17857 9954 1 19 . 1 1 66 66 ASP C C 66 177.865 177.865 174.720 3.145 17857 9955 1 19 . 1 1 66 66 ASP CA C 66 54.199 54.199 53.365 0.834 17857 9956 1 19 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.084 -0.300 17857 9957 1 19 . 1 1 66 66 ASP H H 66 8.266 8.266 7.766 0.500 17857 9958 1 19 . 1 1 67 67 GLY N N 67 109.034 109.034 109.385 -0.351 17857 9959 1 19 . 1 1 67 67 GLY C C 67 172.364 172.364 171.628 0.736 17857 9960 1 19 . 1 1 67 67 GLY CA C 67 45.136 45.136 45.577 -0.441 17857 9961 1 19 . 1 1 67 67 GLY H H 67 8.237 8.237 7.977 0.260 17857 9962 1 19 . 1 1 68 68 GLU N N 68 117.964 117.964 118.243 -0.279 17857 9963 1 19 . 1 1 68 68 GLU HA H 68 5.169 5.169 5.243 -0.074 17857 9964 1 19 . 1 1 68 68 GLU C C 68 176.201 176.201 174.909 1.292 17857 9965 1 19 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.101 0.227 17857 9966 1 19 . 1 1 68 68 GLU CB C 68 33.900 33.900 33.850 0.050 17857 9967 1 19 . 1 1 68 68 GLU H H 68 8.415 8.415 8.365 0.050 17857 9968 1 19 . 1 1 69 69 VAL N N 69 116.232 116.232 113.013 3.219 17857 9969 1 19 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.743 0.158 17857 9970 1 19 . 1 1 69 69 VAL C C 69 174.378 174.378 174.779 -0.401 17857 9971 1 19 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.276 0.275 17857 9972 1 19 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.514 -0.416 17857 9973 1 19 . 1 1 69 69 VAL H H 69 9.134 9.134 8.925 0.209 17857 9974 1 19 . 1 1 70 70 ASP N N 70 121.337 121.337 123.361 -2.024 17857 9975 1 19 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.792 0.739 17857 9976 1 19 . 1 1 70 70 ASP C C 70 176.081 176.081 176.750 -0.669 17857 9977 1 19 . 1 1 70 70 ASP CA C 70 51.315 51.315 56.914 -5.599 17857 9978 1 19 . 1 1 70 70 ASP CB C 70 42.873 42.873 41.971 0.902 17857 9979 1 19 . 1 1 70 70 ASP H H 70 8.233 8.233 9.182 -0.949 17857 9980 1 19 . 1 1 71 71 PHE N N 71 119.131 119.131 117.558 1.573 17857 9981 1 19 . 1 1 71 71 PHE HA H 71 3.449 3.449 4.419 -0.970 17857 9982 1 19 . 1 1 71 71 PHE C C 71 176.693 176.693 175.436 1.257 17857 9983 1 19 . 1 1 71 71 PHE CA C 71 61.576 61.576 59.153 2.423 17857 9984 1 19 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.406 1.062 17857 9985 1 19 . 1 1 71 71 PHE H H 71 9.370 9.370 7.660 1.710 17857 9986 1 19 . 1 1 72 72 GLN N N 72 116.462 116.462 120.088 -3.626 17857 9987 1 19 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.975 -0.537 17857 9988 1 19 . 1 1 72 72 GLN C C 72 177.396 177.396 177.628 -0.232 17857 9989 1 19 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.454 1.313 17857 9990 1 19 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.253 0.530 17857 9991 1 19 . 1 1 72 72 GLN H H 72 8.096 8.096 8.658 -0.562 17857 9992 1 19 . 1 1 73 73 GLU N N 73 119.541 119.541 118.387 1.154 17857 9993 1 19 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.116 -0.129 17857 9994 1 19 . 1 1 73 73 GLU C C 73 178.861 178.861 178.411 0.450 17857 9995 1 19 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.620 0.659 17857 9996 1 19 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.307 0.999 17857 9997 1 19 . 1 1 73 73 GLU H H 73 8.139 8.139 8.758 -0.619 17857 9998 1 19 . 1 1 74 74 TYR N N 74 122.065 122.065 120.519 1.546 17857 9999 1 19 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.213 0.109 17857 10000 1 19 . 1 1 74 74 TYR C C 74 175.562 175.562 176.799 -1.237 17857 10001 1 19 . 1 1 74 74 TYR CA C 74 60.327 60.327 60.802 -0.475 17857 10002 1 19 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.435 -1.568 17857 10003 1 19 . 1 1 74 74 TYR H H 74 8.157 8.157 7.612 0.545 17857 10004 1 19 . 1 1 75 75 VAL N N 75 119.872 119.872 116.009 3.863 17857 10005 1 19 . 1 1 75 75 VAL HA H 75 2.670 2.670 2.929 -0.259 17857 10006 1 19 . 1 1 75 75 VAL C C 75 177.425 177.425 177.660 -0.235 17857 10007 1 19 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.445 1.556 17857 10008 1 19 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.744 -0.043 17857 10009 1 19 . 1 1 75 75 VAL H H 75 7.915 7.915 7.741 0.174 17857 10010 1 19 . 1 1 76 76 VAL N N 76 119.169 119.169 119.966 -0.797 17857 10011 1 19 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.545 -0.195 17857 10012 1 19 . 1 1 76 76 VAL C C 76 178.933 178.933 178.295 0.638 17857 10013 1 19 . 1 1 76 76 VAL CA C 76 66.800 66.800 66.124 0.676 17857 10014 1 19 . 1 1 76 76 VAL CB C 76 31.600 31.600 30.852 0.748 17857 10015 1 19 . 1 1 76 76 VAL H H 76 7.545 7.545 7.277 0.268 17857 10016 1 19 . 1 1 77 77 LEU N N 77 121.356 121.356 119.889 1.467 17857 10017 1 19 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.960 0.219 17857 10018 1 19 . 1 1 77 77 LEU C C 77 179.226 179.226 179.122 0.104 17857 10019 1 19 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.670 0.603 17857 10020 1 19 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.028 0.965 17857 10021 1 19 . 1 1 77 77 LEU H H 77 7.789 7.789 7.561 0.228 17857 10022 1 19 . 1 1 78 78 VAL N N 78 119.358 119.358 118.505 0.853 17857 10023 1 19 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.475 -0.022 17857 10024 1 19 . 1 1 78 78 VAL C C 78 180.653 180.653 177.609 3.044 17857 10025 1 19 . 1 1 78 78 VAL CA C 78 67.253 67.253 66.156 1.097 17857 10026 1 19 . 1 1 78 78 VAL CB C 78 31.392 31.392 30.862 0.530 17857 10027 1 19 . 1 1 78 78 VAL H H 78 8.350 8.350 7.358 0.992 17857 10028 1 19 . 1 1 79 79 ALA N N 79 125.018 125.018 118.980 6.038 17857 10029 1 19 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.078 -0.040 17857 10030 1 19 . 1 1 79 79 ALA C C 79 178.321 178.321 178.283 0.038 17857 10031 1 19 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.532 2.549 17857 10032 1 19 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.237 0.052 17857 10033 1 19 . 1 1 79 79 ALA H H 79 9.009 9.009 7.433 1.576 17857 10034 1 19 . 1 1 80 80 ALA N N 80 121.933 121.933 123.538 -1.605 17857 10035 1 19 . 1 1 80 80 ALA HA H 80 4.003 4.003 3.964 0.039 17857 10036 1 19 . 1 1 80 80 ALA C C 80 181.548 181.548 179.138 2.410 17857 10037 1 19 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.931 0.488 17857 10038 1 19 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.081 -0.412 17857 10039 1 19 . 1 1 80 80 ALA H H 80 8.311 8.311 7.541 0.770 17857 10040 1 19 . 1 1 81 81 LEU N N 81 117.563 117.563 114.275 3.288 17857 10041 1 19 . 1 1 81 81 LEU HA H 81 4.033 4.033 4.041 -0.008 17857 10042 1 19 . 1 1 81 81 LEU C C 81 178.536 178.536 178.528 0.008 17857 10043 1 19 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.399 0.264 17857 10044 1 19 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.330 0.624 17857 10045 1 19 . 1 1 81 81 LEU H H 81 8.056 8.056 7.545 0.511 17857 10046 1 19 . 1 1 82 82 THR N N 82 117.473 117.473 116.912 0.561 17857 10047 1 19 . 1 1 82 82 THR HA H 82 3.669 3.669 3.566 0.103 17857 10048 1 19 . 1 1 82 82 THR C C 82 176.658 176.658 176.321 0.337 17857 10049 1 19 . 1 1 82 82 THR CA C 82 68.836 68.836 66.501 2.335 17857 10050 1 19 . 1 1 82 82 THR CB C 82 67.515 67.515 68.378 -0.863 17857 10051 1 19 . 1 1 82 82 THR H H 82 8.299 8.299 7.263 1.036 17857 10052 1 19 . 1 1 83 83 VAL N N 83 121.111 121.111 121.190 -0.079 17857 10053 1 19 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.406 -0.280 17857 10054 1 19 . 1 1 83 83 VAL C C 83 176.323 176.323 176.116 0.207 17857 10055 1 19 . 1 1 83 83 VAL CA C 83 65.247 65.247 65.812 -0.565 17857 10056 1 19 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.248 -0.227 17857 10057 1 19 . 1 1 83 83 VAL H H 83 7.953 7.953 7.715 0.238 17857 10058 1 19 . 1 1 84 84 ALA N N 84 117.068 117.068 119.625 -2.557 17857 10059 1 19 . 1 1 84 84 ALA HA H 84 4.573 4.573 4.193 0.380 17857 10060 1 19 . 1 1 84 84 ALA C C 84 177.919 177.919 178.698 -0.779 17857 10061 1 19 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.712 -0.692 17857 10062 1 19 . 1 1 84 84 ALA CB C 84 20.943 20.943 19.120 1.823 17857 10063 1 19 . 1 1 84 84 ALA H H 84 7.105 7.105 7.530 -0.425 17857 10064 1 19 . 1 1 85 85 CYS N N 85 112.195 112.195 114.814 -2.619 17857 10065 1 19 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.402 0.138 17857 10066 1 19 . 1 1 85 85 CYS C C 85 173.282 173.282 175.221 -1.939 17857 10067 1 19 . 1 1 85 85 CYS CA C 85 60.342 60.342 57.627 2.715 17857 10068 1 19 . 1 1 85 85 CYS CB C 85 32.440 32.440 28.063 4.377 17857 10069 1 19 . 1 1 85 85 CYS H H 85 7.371 7.371 7.210 0.161 17857 10070 1 19 . 1 1 86 86 ASN N N 86 118.815 118.815 122.615 -3.800 17857 10071 1 19 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.432 0.065 17857 10072 1 19 . 1 1 86 86 ASN CA C 86 54.737 54.737 55.081 -0.344 17857 10073 1 19 . 1 1 86 86 ASN CB C 86 42.130 42.130 38.404 3.726 17857 10074 1 19 . 1 1 86 86 ASN H H 86 8.347 8.347 8.327 0.020 17857 10075 1 19 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.798 -0.473 17857 10076 1 19 . 1 1 87 87 ASN C C 87 176.216 176.216 176.855 -0.639 17857 10077 1 19 . 1 1 87 87 ASN CA C 87 56.570 56.570 54.975 1.595 17857 10078 1 19 . 1 1 87 87 ASN CB C 87 38.479 38.479 39.236 -0.757 17857 10079 1 19 . 1 1 88 88 PHE N N 88 120.522 120.522 116.333 4.189 17857 10080 1 19 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.236 -0.139 17857 10081 1 19 . 1 1 88 88 PHE C C 88 176.803 176.803 176.353 0.450 17857 10082 1 19 . 1 1 88 88 PHE CA C 88 61.023 61.023 61.284 -0.261 17857 10083 1 19 . 1 1 88 88 PHE CB C 88 39.682 39.682 38.367 1.315 17857 10084 1 19 . 1 1 88 88 PHE H H 88 8.642 8.642 8.382 0.260 17857 10085 1 19 . 1 1 89 89 PHE N N 89 112.727 112.727 117.874 -5.147 17857 10086 1 19 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.664 -0.861 17857 10087 1 19 . 1 1 89 89 PHE C C 89 173.691 173.691 174.539 -0.848 17857 10088 1 19 . 1 1 89 89 PHE CA C 89 59.208 59.208 57.475 1.733 17857 10089 1 19 . 1 1 89 89 PHE CB C 89 39.029 39.029 40.709 -1.680 17857 10090 1 19 . 1 1 89 89 PHE H H 89 7.408 7.408 8.645 -1.237 17857 10091 1 19 . 1 1 90 90 TRP N N 90 118.731 118.731 121.119 -2.388 17857 10092 1 19 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.686 -0.096 17857 10093 1 19 . 1 1 90 90 TRP C C 90 175.269 175.269 175.633 -0.364 17857 10094 1 19 . 1 1 90 90 TRP CA C 90 56.840 56.840 57.676 -0.836 17857 10095 1 19 . 1 1 90 90 TRP CB C 90 31.400 31.400 29.470 1.930 17857 10096 1 19 . 1 1 90 90 TRP H H 90 7.359 7.359 8.624 -1.265 17857 10097 1 19 . 1 1 91 91 GLU N N 91 121.302 121.302 119.135 2.167 17857 10098 1 19 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.447 -0.105 17857 10099 1 19 . 1 1 91 91 GLU C C 91 176.081 176.081 175.270 0.811 17857 10100 1 19 . 1 1 91 91 GLU CA C 91 56.857 56.857 55.422 1.435 17857 10101 1 19 . 1 1 91 91 GLU CB C 91 30.548 30.548 32.026 -1.478 17857 10102 1 19 . 1 1 91 91 GLU H H 91 7.766 7.766 7.688 0.078 17857 10103 1 19 . 1 1 92 92 ASN N N 92 120.522 120.522 121.526 -1.004 17857 10104 1 19 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.742 0.025 17857 10105 1 19 . 1 1 92 92 ASN C C 92 174.283 174.283 175.184 -0.901 17857 10106 1 19 . 1 1 92 92 ASN CA C 92 53.407 53.407 52.992 0.415 17857 10107 1 19 . 1 1 92 92 ASN CB C 92 39.276 39.276 38.923 0.353 17857 10108 1 19 . 1 1 92 92 ASN H H 92 8.462 8.462 8.344 0.118 17857 10109 1 20 . 1 1 2 2 SER N N 2 118.698 118.698 116.730 1.968 17857 10110 1 20 . 1 1 2 2 SER HA H 2 4.691 4.691 4.630 0.061 17857 10111 1 20 . 1 1 2 2 SER C C 2 175.496 175.496 175.457 0.039 17857 10112 1 20 . 1 1 2 2 SER CA C 2 57.481 57.481 57.434 0.047 17857 10113 1 20 . 1 1 2 2 SER CB C 2 65.371 65.371 65.040 0.331 17857 10114 1 20 . 1 1 2 2 SER H H 2 9.211 9.211 7.847 1.364 17857 10115 1 20 . 1 1 3 3 GLU N N 3 122.860 122.860 121.047 1.813 17857 10116 1 20 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.075 0.040 17857 10117 1 20 . 1 1 3 3 GLU C C 3 179.171 179.171 178.409 0.762 17857 10118 1 20 . 1 1 3 3 GLU CA C 3 60.757 60.757 59.410 1.347 17857 10119 1 20 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.305 -0.266 17857 10120 1 20 . 1 1 3 3 GLU H H 3 9.205 9.205 9.032 0.173 17857 10121 1 20 . 1 1 4 4 LEU N N 4 120.718 120.718 119.894 0.824 17857 10122 1 20 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.081 -0.045 17857 10123 1 20 . 1 1 4 4 LEU C C 4 178.360 178.360 178.122 0.238 17857 10124 1 20 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.399 0.512 17857 10125 1 20 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.875 0.487 17857 10126 1 20 . 1 1 4 4 LEU H H 4 8.854 8.854 7.660 1.194 17857 10127 1 20 . 1 1 5 5 GLU N N 5 118.542 118.542 118.399 0.143 17857 10128 1 20 . 1 1 5 5 GLU HA H 5 3.255 3.255 4.009 -0.754 17857 10129 1 20 . 1 1 5 5 GLU C C 5 179.204 179.204 178.917 0.287 17857 10130 1 20 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.337 0.480 17857 10131 1 20 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.593 -0.390 17857 10132 1 20 . 1 1 5 5 GLU H H 5 7.791 7.791 7.535 0.256 17857 10133 1 20 . 1 1 6 6 THR N N 6 115.783 115.783 113.721 2.062 17857 10134 1 20 . 1 1 6 6 THR HA H 6 4.017 4.017 4.275 -0.258 17857 10135 1 20 . 1 1 6 6 THR C C 6 176.807 176.807 176.033 0.774 17857 10136 1 20 . 1 1 6 6 THR CA C 6 66.668 66.668 63.599 3.069 17857 10137 1 20 . 1 1 6 6 THR CB C 6 68.763 68.763 68.774 -0.011 17857 10138 1 20 . 1 1 6 6 THR H H 6 8.371 8.371 7.498 0.873 17857 10139 1 20 . 1 1 7 7 ALA N N 7 125.707 125.707 124.909 0.798 17857 10140 1 20 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.019 0.253 17857 10141 1 20 . 1 1 7 7 ALA C C 7 179.856 179.856 179.561 0.295 17857 10142 1 20 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.138 0.564 17857 10143 1 20 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.365 -0.135 17857 10144 1 20 . 1 1 7 7 ALA H H 7 8.267 8.267 7.981 0.286 17857 10145 1 20 . 1 1 8 8 MET N N 8 115.222 115.222 115.127 0.095 17857 10146 1 20 . 1 1 8 8 MET HA H 8 4.858 4.858 4.325 0.533 17857 10147 1 20 . 1 1 8 8 MET C C 8 179.635 179.635 178.411 1.224 17857 10148 1 20 . 1 1 8 8 MET CA C 8 56.669 56.669 56.836 -0.167 17857 10149 1 20 . 1 1 8 8 MET CB C 8 29.136 29.136 31.526 -2.390 17857 10150 1 20 . 1 1 8 8 MET H H 8 8.106 8.106 7.783 0.323 17857 10151 1 20 . 1 1 9 9 GLU N N 9 120.456 120.456 119.983 0.473 17857 10152 1 20 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.059 0.056 17857 10153 1 20 . 1 1 9 9 GLU C C 9 179.531 179.531 179.351 0.180 17857 10154 1 20 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.276 1.355 17857 10155 1 20 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.095 -0.118 17857 10156 1 20 . 1 1 9 9 GLU H H 9 8.658 8.658 7.838 0.820 17857 10157 1 20 . 1 1 10 10 THR N N 10 118.547 118.547 116.572 1.975 17857 10158 1 20 . 1 1 10 10 THR HA H 10 4.116 4.116 4.126 -0.010 17857 10159 1 20 . 1 1 10 10 THR C C 10 175.942 175.942 176.112 -0.170 17857 10160 1 20 . 1 1 10 10 THR CA C 10 67.521 67.521 66.437 1.084 17857 10161 1 20 . 1 1 10 10 THR CB C 10 67.933 67.933 68.945 -1.012 17857 10162 1 20 . 1 1 10 10 THR H H 10 8.417 8.417 7.719 0.698 17857 10163 1 20 . 1 1 11 11 LEU N N 11 121.715 121.715 122.834 -1.119 17857 10164 1 20 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.348 -0.281 17857 10165 1 20 . 1 1 11 11 LEU C C 11 181.784 181.784 179.011 2.773 17857 10166 1 20 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.155 2.288 17857 10167 1 20 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.274 -0.281 17857 10168 1 20 . 1 1 11 11 LEU H H 11 8.324 8.324 7.685 0.639 17857 10169 1 20 . 1 1 12 12 ILE N N 12 121.081 121.081 120.006 1.075 17857 10170 1 20 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.709 -0.145 17857 10171 1 20 . 1 1 12 12 ILE C C 12 176.221 176.221 177.590 -1.369 17857 10172 1 20 . 1 1 12 12 ILE CA C 12 66.178 66.178 63.838 2.340 17857 10173 1 20 . 1 1 12 12 ILE CB C 12 38.395 38.395 36.869 1.526 17857 10174 1 20 . 1 1 12 12 ILE H H 12 8.419 8.419 8.389 0.030 17857 10175 1 20 . 1 1 13 13 ASN N N 13 120.254 120.254 118.786 1.468 17857 10176 1 20 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.535 -0.165 17857 10177 1 20 . 1 1 13 13 ASN C C 13 179.124 179.124 177.605 1.519 17857 10178 1 20 . 1 1 13 13 ASN CA C 13 56.615 56.615 56.105 0.510 17857 10179 1 20 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.314 -0.159 17857 10180 1 20 . 1 1 13 13 ASN H H 13 8.593 8.593 8.062 0.531 17857 10181 1 20 . 1 1 14 14 VAL N N 14 121.599 121.599 116.287 5.312 17857 10182 1 20 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.410 0.446 17857 10183 1 20 . 1 1 14 14 VAL C C 14 177.155 177.155 177.271 -0.116 17857 10184 1 20 . 1 1 14 14 VAL CA C 14 66.705 66.705 65.700 1.005 17857 10185 1 20 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.300 0.584 17857 10186 1 20 . 1 1 14 14 VAL H H 14 8.838 8.838 7.255 1.583 17857 10187 1 20 . 1 1 15 15 PHE N N 15 120.139 120.139 122.086 -1.947 17857 10188 1 20 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.891 -0.292 17857 10189 1 20 . 1 1 15 15 PHE C C 15 177.601 177.601 176.608 0.993 17857 10190 1 20 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.448 -0.049 17857 10191 1 20 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.270 0.362 17857 10192 1 20 . 1 1 15 15 PHE H H 15 7.456 7.456 8.207 -0.751 17857 10193 1 20 . 1 1 16 16 HIS N N 16 118.175 118.175 116.287 1.888 17857 10194 1 20 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.276 0.867 17857 10195 1 20 . 1 1 16 16 HIS C C 16 177.972 177.972 177.014 0.958 17857 10196 1 20 . 1 1 16 16 HIS CA C 16 55.795 55.795 56.955 -1.160 17857 10197 1 20 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.768 1.559 17857 10198 1 20 . 1 1 16 16 HIS H H 16 9.137 9.137 7.971 1.166 17857 10199 1 20 . 1 1 17 17 ALA N N 17 121.734 121.734 122.037 -0.303 17857 10200 1 20 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.050 -0.230 17857 10201 1 20 . 1 1 17 17 ALA C C 17 178.713 178.713 179.375 -0.662 17857 10202 1 20 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.446 0.171 17857 10203 1 20 . 1 1 17 17 ALA CB C 17 17.700 17.700 17.742 -0.042 17857 10204 1 20 . 1 1 17 17 ALA H H 17 8.133 8.133 6.969 1.164 17857 10205 1 20 . 1 1 18 18 HIS N N 18 113.408 113.408 116.654 -3.246 17857 10206 1 20 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.553 -0.233 17857 10207 1 20 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.388 0.449 17857 10208 1 20 . 1 1 18 18 HIS CB C 18 32.648 32.648 29.892 2.756 17857 10209 1 20 . 1 1 18 18 HIS H H 18 7.286 7.286 7.687 -0.401 17857 10210 1 20 . 1 1 19 19 SER N N 19 120.877 120.877 115.213 5.664 17857 10211 1 20 . 1 1 19 19 SER HA H 19 4.124 4.124 4.278 -0.154 17857 10212 1 20 . 1 1 19 19 SER C C 19 176.676 176.676 175.964 0.712 17857 10213 1 20 . 1 1 19 19 SER CA C 19 60.979 60.979 60.713 0.266 17857 10214 1 20 . 1 1 19 19 SER CB C 19 61.813 61.813 62.604 -0.791 17857 10215 1 20 . 1 1 19 19 SER H H 19 9.322 9.322 7.599 1.723 17857 10216 1 20 . 1 1 20 20 GLY N N 20 107.206 107.206 108.582 -1.376 17857 10217 1 20 . 1 1 20 20 GLY C C 20 174.913 174.913 175.756 -0.843 17857 10218 1 20 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.910 -0.629 17857 10219 1 20 . 1 1 20 20 GLY H H 20 8.233 8.233 7.528 0.705 17857 10220 1 20 . 1 1 21 21 LYS N N 21 118.717 118.717 119.701 -0.984 17857 10221 1 20 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.077 -0.036 17857 10222 1 20 . 1 1 21 21 LYS C C 21 176.623 176.623 177.350 -0.727 17857 10223 1 20 . 1 1 21 21 LYS CA C 21 58.185 58.185 58.665 -0.480 17857 10224 1 20 . 1 1 21 21 LYS CB C 21 33.157 33.157 32.845 0.312 17857 10225 1 20 . 1 1 21 21 LYS H H 21 7.333 7.333 7.536 -0.203 17857 10226 1 20 . 1 1 22 22 GLU N N 22 116.257 116.257 115.562 0.695 17857 10227 1 20 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.585 -0.144 17857 10228 1 20 . 1 1 22 22 GLU C C 22 175.554 175.554 175.392 0.162 17857 10229 1 20 . 1 1 22 22 GLU CA C 22 55.488 55.488 54.872 0.616 17857 10230 1 20 . 1 1 22 22 GLU CB C 22 31.892 31.892 33.744 -1.852 17857 10231 1 20 . 1 1 22 22 GLU H H 22 7.603 7.603 8.042 -0.439 17857 10232 1 20 . 1 1 23 23 GLY N N 23 108.614 108.614 108.174 0.440 17857 10233 1 20 . 1 1 23 23 GLY C C 23 173.976 173.976 173.168 0.808 17857 10234 1 20 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.529 1.495 17857 10235 1 20 . 1 1 23 23 GLY H H 23 8.261 8.261 8.208 0.053 17857 10236 1 20 . 1 1 24 24 ASP N N 24 124.252 124.252 120.202 4.050 17857 10237 1 20 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.620 -0.061 17857 10238 1 20 . 1 1 24 24 ASP C C 24 177.376 177.376 177.292 0.084 17857 10239 1 20 . 1 1 24 24 ASP CA C 24 53.824 53.824 53.303 0.521 17857 10240 1 20 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.256 1.436 17857 10241 1 20 . 1 1 24 24 ASP H H 24 8.313 8.313 8.267 0.046 17857 10242 1 20 . 1 1 25 25 LYS N N 25 125.006 125.006 120.423 4.583 17857 10243 1 20 . 1 1 25 25 LYS HA H 25 4.137 4.137 3.834 0.303 17857 10244 1 20 . 1 1 25 25 LYS C C 25 175.980 175.980 178.368 -2.388 17857 10245 1 20 . 1 1 25 25 LYS CA C 25 57.436 57.436 59.520 -2.084 17857 10246 1 20 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.413 -0.068 17857 10247 1 20 . 1 1 25 25 LYS H H 25 8.327 8.327 8.519 -0.192 17857 10248 1 20 . 1 1 26 26 TYR N N 26 117.300 117.300 115.439 1.861 17857 10249 1 20 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.488 0.598 17857 10250 1 20 . 1 1 26 26 TYR C C 26 175.592 175.592 175.830 -0.238 17857 10251 1 20 . 1 1 26 26 TYR CA C 26 57.552 57.552 59.329 -1.777 17857 10252 1 20 . 1 1 26 26 TYR CB C 26 38.052 38.052 38.905 -0.853 17857 10253 1 20 . 1 1 26 26 TYR H H 26 8.490 8.490 7.891 0.599 17857 10254 1 20 . 1 1 27 27 LYS N N 27 117.820 117.820 118.720 -0.900 17857 10255 1 20 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.617 0.886 17857 10256 1 20 . 1 1 27 27 LYS C C 27 174.259 174.259 175.766 -1.507 17857 10257 1 20 . 1 1 27 27 LYS CA C 27 54.094 54.094 55.181 -1.087 17857 10258 1 20 . 1 1 27 27 LYS CB C 27 37.626 37.626 33.533 4.093 17857 10259 1 20 . 1 1 27 27 LYS H H 27 7.793 7.793 7.633 0.160 17857 10260 1 20 . 1 1 28 28 LEU N N 28 120.282 120.282 119.908 0.374 17857 10261 1 20 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.631 0.117 17857 10262 1 20 . 1 1 28 28 LEU C C 28 176.038 176.038 175.053 0.985 17857 10263 1 20 . 1 1 28 28 LEU CA C 28 53.042 53.042 54.301 -1.259 17857 10264 1 20 . 1 1 28 28 LEU CB C 28 46.382 46.382 45.985 0.397 17857 10265 1 20 . 1 1 28 28 LEU H H 28 8.692 8.692 8.138 0.554 17857 10266 1 20 . 1 1 29 29 SER N N 29 119.669 119.669 119.537 0.132 17857 10267 1 20 . 1 1 29 29 SER HA H 29 5.121 5.121 4.675 0.446 17857 10268 1 20 . 1 1 29 29 SER C C 29 175.936 175.936 175.487 0.449 17857 10269 1 20 . 1 1 29 29 SER CA C 29 57.760 57.760 57.056 0.704 17857 10270 1 20 . 1 1 29 29 SER CB C 29 64.689 64.689 64.602 0.088 17857 10271 1 20 . 1 1 29 29 SER H H 29 8.797 8.797 8.616 0.181 17857 10272 1 20 . 1 1 30 30 LYS N N 30 124.194 124.194 121.527 2.667 17857 10273 1 20 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.200 -0.339 17857 10274 1 20 . 1 1 30 30 LYS C C 30 178.523 178.523 178.884 -0.361 17857 10275 1 20 . 1 1 30 30 LYS CA C 30 61.591 61.591 59.342 2.249 17857 10276 1 20 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.573 -0.569 17857 10277 1 20 . 1 1 30 30 LYS H H 30 8.842 8.842 8.643 0.199 17857 10278 1 20 . 1 1 31 31 LYS N N 31 119.922 119.922 119.199 0.723 17857 10279 1 20 . 1 1 31 31 LYS HA H 31 4.157 4.157 3.931 0.226 17857 10280 1 20 . 1 1 31 31 LYS C C 31 179.293 179.293 179.427 -0.134 17857 10281 1 20 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.392 0.033 17857 10282 1 20 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.212 0.374 17857 10283 1 20 . 1 1 31 31 LYS H H 31 8.786 8.786 7.952 0.834 17857 10284 1 20 . 1 1 32 32 GLN N N 32 119.859 119.859 117.255 2.604 17857 10285 1 20 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.101 0.016 17857 10286 1 20 . 1 1 32 32 GLN C C 32 179.272 179.272 178.094 1.178 17857 10287 1 20 . 1 1 32 32 GLN CA C 32 58.178 58.178 57.736 0.442 17857 10288 1 20 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.576 0.244 17857 10289 1 20 . 1 1 32 32 GLN H H 32 7.769 7.769 7.680 0.089 17857 10290 1 20 . 1 1 33 33 LEU N N 33 122.146 122.146 121.822 0.324 17857 10291 1 20 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.794 0.251 17857 10292 1 20 . 1 1 33 33 LEU C C 33 177.408 177.408 178.527 -1.119 17857 10293 1 20 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.275 -0.940 17857 10294 1 20 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.678 -1.131 17857 10295 1 20 . 1 1 33 33 LEU H H 33 8.918 8.918 7.534 1.384 17857 10296 1 20 . 1 1 34 34 LYS N N 34 120.726 120.726 118.145 2.581 17857 10297 1 20 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.846 -0.220 17857 10298 1 20 . 1 1 34 34 LYS C C 34 177.675 177.675 178.921 -1.246 17857 10299 1 20 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.642 1.343 17857 10300 1 20 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.160 -0.160 17857 10301 1 20 . 1 1 34 34 LYS H H 34 8.423 8.423 7.881 0.542 17857 10302 1 20 . 1 1 35 35 GLU N N 35 116.999 116.999 119.005 -2.006 17857 10303 1 20 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.147 -0.077 17857 10304 1 20 . 1 1 35 35 GLU C C 35 179.003 179.003 178.638 0.365 17857 10305 1 20 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.010 0.492 17857 10306 1 20 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.728 -0.333 17857 10307 1 20 . 1 1 35 35 GLU H H 35 7.186 7.186 7.354 -0.168 17857 10308 1 20 . 1 1 36 36 LEU N N 36 122.908 122.908 119.886 3.022 17857 10309 1 20 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.054 -0.341 17857 10310 1 20 . 1 1 36 36 LEU C C 36 178.810 178.810 178.600 0.210 17857 10311 1 20 . 1 1 36 36 LEU CA C 36 59.433 59.433 57.968 1.465 17857 10312 1 20 . 1 1 36 36 LEU CB C 36 42.303 42.303 40.999 1.304 17857 10313 1 20 . 1 1 36 36 LEU H H 36 8.141 8.141 8.345 -0.204 17857 10314 1 20 . 1 1 37 37 LEU N N 37 119.746 119.746 120.133 -0.387 17857 10315 1 20 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.815 -0.126 17857 10316 1 20 . 1 1 37 37 LEU C C 37 178.128 178.128 179.061 -0.933 17857 10317 1 20 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.790 -0.374 17857 10318 1 20 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.517 0.006 17857 10319 1 20 . 1 1 37 37 LEU H H 37 8.772 8.772 8.925 -0.153 17857 10320 1 20 . 1 1 38 38 GLN N N 38 113.312 113.312 117.021 -3.709 17857 10321 1 20 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.032 -0.265 17857 10322 1 20 . 1 1 38 38 GLN C C 38 177.536 177.536 178.921 -1.385 17857 10323 1 20 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.779 0.007 17857 10324 1 20 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.589 0.425 17857 10325 1 20 . 1 1 38 38 GLN H H 38 8.082 8.082 7.987 0.095 17857 10326 1 20 . 1 1 39 39 THR N N 39 109.779 109.779 116.639 -6.860 17857 10327 1 20 . 1 1 39 39 THR HA H 39 4.312 4.312 4.015 0.297 17857 10328 1 20 . 1 1 39 39 THR C C 39 176.802 176.802 176.856 -0.054 17857 10329 1 20 . 1 1 39 39 THR CA C 39 64.576 64.576 66.567 -1.991 17857 10330 1 20 . 1 1 39 39 THR CB C 39 69.847 69.847 68.521 1.326 17857 10331 1 20 . 1 1 39 39 THR H H 39 7.683 7.683 7.662 0.021 17857 10332 1 20 . 1 1 40 40 GLU N N 40 118.440 118.440 120.955 -2.515 17857 10333 1 20 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.209 0.507 17857 10334 1 20 . 1 1 40 40 GLU C C 40 177.106 177.106 178.487 -1.381 17857 10335 1 20 . 1 1 40 40 GLU CA C 40 56.922 56.922 58.638 -1.716 17857 10336 1 20 . 1 1 40 40 GLU CB C 40 30.262 30.262 29.625 0.637 17857 10337 1 20 . 1 1 40 40 GLU H H 40 8.971 8.971 8.554 0.417 17857 10338 1 20 . 1 1 41 41 LEU N N 41 119.219 119.219 118.042 1.177 17857 10339 1 20 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.350 0.778 17857 10340 1 20 . 1 1 41 41 LEU C C 41 177.669 177.669 177.606 0.063 17857 10341 1 20 . 1 1 41 41 LEU CA C 41 53.300 53.300 55.769 -2.469 17857 10342 1 20 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.858 -0.650 17857 10343 1 20 . 1 1 41 41 LEU H H 41 7.733 7.733 8.241 -0.508 17857 10344 1 20 . 1 1 42 42 SER N N 42 112.897 112.897 112.958 -0.061 17857 10345 1 20 . 1 1 42 42 SER HA H 42 3.880 3.880 4.059 -0.179 17857 10346 1 20 . 1 1 42 42 SER C C 42 176.429 176.429 174.622 1.807 17857 10347 1 20 . 1 1 42 42 SER CA C 42 61.867 61.867 58.943 2.925 17857 10348 1 20 . 1 1 42 42 SER CB C 42 62.864 62.864 61.882 0.982 17857 10349 1 20 . 1 1 42 42 SER H H 42 6.915 6.915 8.167 -1.252 17857 10350 1 20 . 1 1 43 43 GLY N N 43 114.357 114.357 107.128 7.229 17857 10351 1 20 . 1 1 43 43 GLY C C 43 178.051 178.051 175.255 2.796 17857 10352 1 20 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.151 1.693 17857 10353 1 20 . 1 1 43 43 GLY H H 43 9.244 9.244 8.101 1.143 17857 10354 1 20 . 1 1 44 44 PHE N N 44 124.297 124.297 121.459 2.838 17857 10355 1 20 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.128 0.465 17857 10356 1 20 . 1 1 44 44 PHE C C 44 178.168 178.168 177.506 0.662 17857 10357 1 20 . 1 1 44 44 PHE CA C 44 57.510 57.510 60.822 -3.312 17857 10358 1 20 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.625 -2.482 17857 10359 1 20 . 1 1 44 44 PHE H H 44 8.273 8.273 8.166 0.107 17857 10360 1 20 . 1 1 45 45 LEU N N 45 116.097 116.097 114.812 1.285 17857 10361 1 20 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.120 0.056 17857 10362 1 20 . 1 1 45 45 LEU C C 45 179.069 179.069 177.572 1.497 17857 10363 1 20 . 1 1 45 45 LEU CA C 45 57.580 57.580 57.435 0.145 17857 10364 1 20 . 1 1 45 45 LEU CB C 45 41.377 41.377 41.576 -0.199 17857 10365 1 20 . 1 1 45 45 LEU H H 45 8.559 8.559 7.968 0.591 17857 10366 1 20 . 1 1 46 46 ASP N N 46 119.849 119.849 118.814 1.035 17857 10367 1 20 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.550 0.163 17857 10368 1 20 . 1 1 46 46 ASP C C 46 176.152 176.152 176.030 0.122 17857 10369 1 20 . 1 1 46 46 ASP CA C 46 55.845 55.845 54.295 1.550 17857 10370 1 20 . 1 1 46 46 ASP CB C 46 41.640 41.640 41.171 0.469 17857 10371 1 20 . 1 1 46 46 ASP H H 46 7.707 7.707 8.193 -0.486 17857 10372 1 20 . 1 1 47 47 ALA N N 47 124.027 124.027 121.381 2.646 17857 10373 1 20 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.567 0.041 17857 10374 1 20 . 1 1 47 47 ALA C C 47 176.271 176.271 176.819 -0.548 17857 10375 1 20 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.505 -1.784 17857 10376 1 20 . 1 1 47 47 ALA CB C 47 18.985 18.985 20.337 -1.352 17857 10377 1 20 . 1 1 47 47 ALA H H 47 7.710 7.710 7.550 0.160 17857 10378 1 20 . 1 1 48 48 GLN N N 48 117.138 117.138 116.968 0.170 17857 10379 1 20 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.000 0.115 17857 10380 1 20 . 1 1 48 48 GLN C C 48 175.907 175.907 175.510 0.397 17857 10381 1 20 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.998 1.076 17857 10382 1 20 . 1 1 48 48 GLN CB C 48 30.504 30.504 26.161 4.343 17857 10383 1 20 . 1 1 48 48 GLN H H 48 7.562 7.562 8.136 -0.574 17857 10384 1 20 . 1 1 49 49 LYS N N 49 121.265 121.265 118.957 2.308 17857 10385 1 20 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.057 0.092 17857 10386 1 20 . 1 1 49 49 LYS C C 49 176.157 176.157 176.874 -0.717 17857 10387 1 20 . 1 1 49 49 LYS CA C 49 56.337 56.337 58.234 -1.897 17857 10388 1 20 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.784 -1.553 17857 10389 1 20 . 1 1 49 49 LYS H H 49 7.974 7.974 8.421 -0.447 17857 10390 1 20 . 1 1 50 50 ASP N N 50 119.019 119.019 116.363 2.656 17857 10391 1 20 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.671 0.011 17857 10392 1 20 . 1 1 50 50 ASP C C 50 175.466 175.466 175.936 -0.470 17857 10393 1 20 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.516 -2.706 17857 10394 1 20 . 1 1 50 50 ASP CB C 50 39.955 39.955 42.378 -2.423 17857 10395 1 20 . 1 1 50 50 ASP H H 50 7.523 7.523 7.797 -0.274 17857 10396 1 20 . 1 1 51 51 VAL N N 51 121.906 121.906 116.464 5.442 17857 10397 1 20 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.084 -0.223 17857 10398 1 20 . 1 1 51 51 VAL C C 51 178.158 178.158 175.754 2.404 17857 10399 1 20 . 1 1 51 51 VAL CA C 51 64.804 64.804 63.594 1.210 17857 10400 1 20 . 1 1 51 51 VAL CB C 51 31.831 31.831 33.092 -1.261 17857 10401 1 20 . 1 1 51 51 VAL H H 51 7.618 7.618 8.040 -0.422 17857 10402 1 20 . 1 1 52 52 ASP N N 52 119.692 119.692 122.601 -2.909 17857 10403 1 20 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.375 -0.016 17857 10404 1 20 . 1 1 52 52 ASP C C 52 178.427 178.427 177.847 0.580 17857 10405 1 20 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.627 -0.268 17857 10406 1 20 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.920 1.001 17857 10407 1 20 . 1 1 52 52 ASP H H 52 8.081 8.081 8.674 -0.593 17857 10408 1 20 . 1 1 53 53 ALA N N 53 122.046 122.046 121.736 0.310 17857 10409 1 20 . 1 1 53 53 ALA HA H 53 4.020 4.020 3.967 0.053 17857 10410 1 20 . 1 1 53 53 ALA C C 53 180.602 180.602 179.313 1.289 17857 10411 1 20 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.791 -0.061 17857 10412 1 20 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.171 0.696 17857 10413 1 20 . 1 1 53 53 ALA H H 53 7.538 7.538 8.512 -0.974 17857 10414 1 20 . 1 1 54 54 VAL N N 54 117.817 117.817 117.384 0.433 17857 10415 1 20 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.609 -0.259 17857 10416 1 20 . 1 1 54 54 VAL C C 54 177.718 177.718 177.496 0.222 17857 10417 1 20 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.412 1.255 17857 10418 1 20 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.627 0.088 17857 10419 1 20 . 1 1 54 54 VAL H H 54 7.286 7.286 7.746 -0.460 17857 10420 1 20 . 1 1 55 55 ASP N N 55 119.601 119.601 120.437 -0.836 17857 10421 1 20 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.396 -0.109 17857 10422 1 20 . 1 1 55 55 ASP C C 55 178.508 178.508 178.083 0.425 17857 10423 1 20 . 1 1 55 55 ASP CA C 55 57.618 57.618 57.047 0.571 17857 10424 1 20 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.498 0.729 17857 10425 1 20 . 1 1 55 55 ASP H H 55 8.456 8.456 7.780 0.676 17857 10426 1 20 . 1 1 56 56 LYS N N 56 117.890 117.890 120.157 -2.267 17857 10427 1 20 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.968 -0.033 17857 10428 1 20 . 1 1 56 56 LYS C C 56 179.509 179.509 178.942 0.567 17857 10429 1 20 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.348 0.541 17857 10430 1 20 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.073 0.447 17857 10431 1 20 . 1 1 56 56 LYS H H 56 7.921 7.921 7.660 0.261 17857 10432 1 20 . 1 1 57 57 VAL N N 57 119.196 119.196 119.109 0.087 17857 10433 1 20 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.791 -0.069 17857 10434 1 20 . 1 1 57 57 VAL C C 57 177.928 177.928 177.544 0.384 17857 10435 1 20 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.961 0.257 17857 10436 1 20 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.842 0.489 17857 10437 1 20 . 1 1 57 57 VAL H H 57 7.292 7.292 7.348 -0.056 17857 10438 1 20 . 1 1 58 58 MET N N 58 115.902 115.902 117.696 -1.794 17857 10439 1 20 . 1 1 58 58 MET HA H 58 4.128 4.128 4.112 0.016 17857 10440 1 20 . 1 1 58 58 MET C C 58 178.952 178.952 178.166 0.786 17857 10441 1 20 . 1 1 58 58 MET CA C 58 57.582 57.582 58.426 -0.844 17857 10442 1 20 . 1 1 58 58 MET CB C 58 31.511 31.511 32.342 -0.831 17857 10443 1 20 . 1 1 58 58 MET H H 58 8.313 8.313 7.538 0.775 17857 10444 1 20 . 1 1 59 59 LYS N N 59 118.845 118.845 120.810 -1.965 17857 10445 1 20 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.970 0.102 17857 10446 1 20 . 1 1 59 59 LYS C C 59 179.149 179.149 178.418 0.731 17857 10447 1 20 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.279 -0.119 17857 10448 1 20 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.220 0.325 17857 10449 1 20 . 1 1 59 59 LYS H H 59 8.563 8.563 8.569 -0.006 17857 10450 1 20 . 1 1 60 60 GLU N N 60 119.868 119.868 119.473 0.395 17857 10451 1 20 . 1 1 60 60 GLU HA H 60 4.032 4.032 3.961 0.071 17857 10452 1 20 . 1 1 60 60 GLU C C 60 179.083 179.083 178.924 0.159 17857 10453 1 20 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.368 0.398 17857 10454 1 20 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.314 -0.557 17857 10455 1 20 . 1 1 60 60 GLU H H 60 7.467 7.467 8.020 -0.553 17857 10456 1 20 . 1 1 61 61 LEU N N 61 116.866 116.866 118.742 -1.876 17857 10457 1 20 . 1 1 61 61 LEU HA H 61 3.967 3.967 3.934 0.033 17857 10458 1 20 . 1 1 61 61 LEU C C 61 177.870 177.870 178.848 -0.978 17857 10459 1 20 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.410 -0.159 17857 10460 1 20 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.549 -0.779 17857 10461 1 20 . 1 1 61 61 LEU H H 61 7.597 7.597 7.470 0.127 17857 10462 1 20 . 1 1 62 62 ASP N N 62 115.773 115.773 118.046 -2.273 17857 10463 1 20 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.415 0.072 17857 10464 1 20 . 1 1 62 62 ASP C C 62 178.871 178.871 178.235 0.636 17857 10465 1 20 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.353 -0.232 17857 10466 1 20 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.657 1.169 17857 10467 1 20 . 1 1 62 62 ASP H H 62 7.509 7.509 7.785 -0.276 17857 10468 1 20 . 1 1 63 63 GLU N N 63 119.120 119.120 118.021 1.099 17857 10469 1 20 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.136 -0.005 17857 10470 1 20 . 1 1 63 63 GLU C C 63 176.937 176.937 177.375 -0.438 17857 10471 1 20 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.186 -0.133 17857 10472 1 20 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.125 -0.007 17857 10473 1 20 . 1 1 63 63 GLU H H 63 8.068 8.068 7.967 0.101 17857 10474 1 20 . 1 1 64 64 ASN N N 64 117.779 117.779 115.639 2.140 17857 10475 1 20 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.867 0.255 17857 10476 1 20 . 1 1 64 64 ASN C C 64 176.299 176.299 176.066 0.233 17857 10477 1 20 . 1 1 64 64 ASN CA C 64 52.221 52.221 53.050 -0.829 17857 10478 1 20 . 1 1 64 64 ASN CB C 64 38.943 38.943 39.749 -0.806 17857 10479 1 20 . 1 1 64 64 ASN H H 64 7.719 7.719 8.041 -0.322 17857 10480 1 20 . 1 1 65 65 GLY N N 65 106.860 106.860 108.990 -2.130 17857 10481 1 20 . 1 1 65 65 GLY C C 65 174.113 174.113 173.130 0.983 17857 10482 1 20 . 1 1 65 65 GLY CA C 65 47.965 47.965 46.374 1.591 17857 10483 1 20 . 1 1 65 65 GLY H H 65 7.705 7.705 8.579 -0.874 17857 10484 1 20 . 1 1 66 66 ASP N N 66 115.761 115.761 117.855 -2.094 17857 10485 1 20 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.711 0.126 17857 10486 1 20 . 1 1 66 66 ASP C C 66 177.865 177.865 174.704 3.161 17857 10487 1 20 . 1 1 66 66 ASP CA C 66 54.199 54.199 53.621 0.578 17857 10488 1 20 . 1 1 66 66 ASP CB C 66 40.784 40.784 40.452 0.332 17857 10489 1 20 . 1 1 66 66 ASP H H 66 8.266 8.266 7.906 0.360 17857 10490 1 20 . 1 1 67 67 GLY N N 67 109.034 109.034 107.895 1.139 17857 10491 1 20 . 1 1 67 67 GLY C C 67 172.364 172.364 172.492 -0.128 17857 10492 1 20 . 1 1 67 67 GLY CA C 67 45.136 45.136 45.083 0.053 17857 10493 1 20 . 1 1 67 67 GLY H H 67 8.237 8.237 7.489 0.748 17857 10494 1 20 . 1 1 68 68 GLU N N 68 117.964 117.964 120.029 -2.065 17857 10495 1 20 . 1 1 68 68 GLU HA H 68 5.169 5.169 4.534 0.635 17857 10496 1 20 . 1 1 68 68 GLU C C 68 176.201 176.201 176.069 0.132 17857 10497 1 20 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.687 -0.359 17857 10498 1 20 . 1 1 68 68 GLU CB C 68 33.900 33.900 31.377 2.523 17857 10499 1 20 . 1 1 68 68 GLU H H 68 8.415 8.415 8.394 0.021 17857 10500 1 20 . 1 1 69 69 VAL N N 69 116.232 116.232 116.941 -0.709 17857 10501 1 20 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.958 -0.057 17857 10502 1 20 . 1 1 69 69 VAL C C 69 174.378 174.378 174.619 -0.241 17857 10503 1 20 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.706 -0.155 17857 10504 1 20 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.057 0.041 17857 10505 1 20 . 1 1 69 69 VAL H H 69 9.134 9.134 8.587 0.547 17857 10506 1 20 . 1 1 70 70 ASP N N 70 121.337 121.337 122.289 -0.952 17857 10507 1 20 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.949 0.582 17857 10508 1 20 . 1 1 70 70 ASP C C 70 176.081 176.081 177.333 -1.252 17857 10509 1 20 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.581 -1.266 17857 10510 1 20 . 1 1 70 70 ASP CB C 70 42.873 42.873 44.278 -1.405 17857 10511 1 20 . 1 1 70 70 ASP H H 70 8.233 8.233 8.191 0.042 17857 10512 1 20 . 1 1 71 71 PHE N N 71 119.131 119.131 120.712 -1.581 17857 10513 1 20 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.798 -0.349 17857 10514 1 20 . 1 1 71 71 PHE C C 71 176.693 176.693 176.666 0.027 17857 10515 1 20 . 1 1 71 71 PHE CA C 71 61.576 61.576 61.594 -0.018 17857 10516 1 20 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.183 1.285 17857 10517 1 20 . 1 1 71 71 PHE H H 71 9.370 9.370 8.661 0.709 17857 10518 1 20 . 1 1 72 72 GLN N N 72 116.462 116.462 117.600 -1.138 17857 10519 1 20 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.776 -0.338 17857 10520 1 20 . 1 1 72 72 GLN C C 72 177.396 177.396 178.021 -0.625 17857 10521 1 20 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.378 1.389 17857 10522 1 20 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.305 0.478 17857 10523 1 20 . 1 1 72 72 GLN H H 72 8.096 8.096 8.050 0.046 17857 10524 1 20 . 1 1 73 73 GLU N N 73 119.541 119.541 118.432 1.109 17857 10525 1 20 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.098 -0.111 17857 10526 1 20 . 1 1 73 73 GLU C C 73 178.861 178.861 178.185 0.676 17857 10527 1 20 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.837 0.442 17857 10528 1 20 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.328 0.978 17857 10529 1 20 . 1 1 73 73 GLU H H 73 8.139 8.139 8.598 -0.459 17857 10530 1 20 . 1 1 74 74 TYR N N 74 122.065 122.065 120.920 1.145 17857 10531 1 20 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.286 0.036 17857 10532 1 20 . 1 1 74 74 TYR C C 74 175.562 175.562 176.940 -1.378 17857 10533 1 20 . 1 1 74 74 TYR CA C 74 60.327 60.327 60.858 -0.530 17857 10534 1 20 . 1 1 74 74 TYR CB C 74 36.867 36.867 39.087 -2.220 17857 10535 1 20 . 1 1 74 74 TYR H H 74 8.157 8.157 7.935 0.222 17857 10536 1 20 . 1 1 75 75 VAL N N 75 119.872 119.872 117.639 2.233 17857 10537 1 20 . 1 1 75 75 VAL HA H 75 2.670 2.670 2.803 -0.133 17857 10538 1 20 . 1 1 75 75 VAL C C 75 177.425 177.425 177.631 -0.206 17857 10539 1 20 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.746 1.254 17857 10540 1 20 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.453 0.248 17857 10541 1 20 . 1 1 75 75 VAL H H 75 7.915 7.915 7.893 0.022 17857 10542 1 20 . 1 1 76 76 VAL N N 76 119.169 119.169 118.313 0.856 17857 10543 1 20 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.625 -0.275 17857 10544 1 20 . 1 1 76 76 VAL C C 76 178.933 178.933 177.331 1.602 17857 10545 1 20 . 1 1 76 76 VAL CA C 76 66.800 66.800 65.728 1.071 17857 10546 1 20 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.809 -0.209 17857 10547 1 20 . 1 1 76 76 VAL H H 76 7.545 7.545 7.281 0.264 17857 10548 1 20 . 1 1 77 77 LEU N N 77 121.356 121.356 119.956 1.400 17857 10549 1 20 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.960 0.219 17857 10550 1 20 . 1 1 77 77 LEU C C 77 179.226 179.226 178.591 0.635 17857 10551 1 20 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.826 0.447 17857 10552 1 20 . 1 1 77 77 LEU CB C 77 41.992 41.992 40.944 1.048 17857 10553 1 20 . 1 1 77 77 LEU H H 77 7.789 7.789 7.656 0.133 17857 10554 1 20 . 1 1 78 78 VAL N N 78 119.358 119.358 118.462 0.896 17857 10555 1 20 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.527 -0.074 17857 10556 1 20 . 1 1 78 78 VAL C C 78 180.653 180.653 177.643 3.010 17857 10557 1 20 . 1 1 78 78 VAL CA C 78 67.253 67.253 66.306 0.947 17857 10558 1 20 . 1 1 78 78 VAL CB C 78 31.392 31.392 30.924 0.468 17857 10559 1 20 . 1 1 78 78 VAL H H 78 8.350 8.350 7.393 0.957 17857 10560 1 20 . 1 1 79 79 ALA N N 79 125.018 125.018 120.399 4.619 17857 10561 1 20 . 1 1 79 79 ALA HA H 79 4.038 4.038 3.913 0.125 17857 10562 1 20 . 1 1 79 79 ALA C C 79 178.321 178.321 178.777 -0.456 17857 10563 1 20 . 1 1 79 79 ALA CA C 79 56.081 56.081 54.666 1.415 17857 10564 1 20 . 1 1 79 79 ALA CB C 79 18.289 18.289 17.724 0.566 17857 10565 1 20 . 1 1 79 79 ALA H H 79 9.009 9.009 7.540 1.469 17857 10566 1 20 . 1 1 80 80 ALA N N 80 121.933 121.933 122.153 -0.220 17857 10567 1 20 . 1 1 80 80 ALA HA H 80 4.003 4.003 4.066 -0.063 17857 10568 1 20 . 1 1 80 80 ALA C C 80 181.548 181.548 178.791 2.757 17857 10569 1 20 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.297 1.122 17857 10570 1 20 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.358 -0.689 17857 10571 1 20 . 1 1 80 80 ALA H H 80 8.311 8.311 7.248 1.063 17857 10572 1 20 . 1 1 81 81 LEU N N 81 117.563 117.563 118.102 -0.539 17857 10573 1 20 . 1 1 81 81 LEU HA H 81 4.033 4.033 3.874 0.159 17857 10574 1 20 . 1 1 81 81 LEU C C 81 178.536 178.536 178.299 0.237 17857 10575 1 20 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.303 0.360 17857 10576 1 20 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.624 0.329 17857 10577 1 20 . 1 1 81 81 LEU H H 81 8.056 8.056 7.443 0.613 17857 10578 1 20 . 1 1 82 82 THR N N 82 117.473 117.473 115.741 1.732 17857 10579 1 20 . 1 1 82 82 THR HA H 82 3.669 3.669 3.408 0.261 17857 10580 1 20 . 1 1 82 82 THR C C 82 176.658 176.658 176.186 0.472 17857 10581 1 20 . 1 1 82 82 THR CA C 82 68.836 68.836 66.543 2.293 17857 10582 1 20 . 1 1 82 82 THR CB C 82 67.515 67.515 68.196 -0.681 17857 10583 1 20 . 1 1 82 82 THR H H 82 8.299 8.299 7.874 0.425 17857 10584 1 20 . 1 1 83 83 VAL N N 83 121.111 121.111 121.464 -0.353 17857 10585 1 20 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.796 -0.670 17857 10586 1 20 . 1 1 83 83 VAL C C 83 176.323 176.323 177.143 -0.820 17857 10587 1 20 . 1 1 83 83 VAL CA C 83 65.247 65.247 65.540 -0.293 17857 10588 1 20 . 1 1 83 83 VAL CB C 83 31.022 31.022 30.964 0.058 17857 10589 1 20 . 1 1 83 83 VAL H H 83 7.953 7.953 7.343 0.610 17857 10590 1 20 . 1 1 84 84 ALA N N 84 117.068 117.068 120.810 -3.742 17857 10591 1 20 . 1 1 84 84 ALA HA H 84 4.573 4.573 3.804 0.769 17857 10592 1 20 . 1 1 84 84 ALA C C 84 177.919 177.919 178.719 -0.800 17857 10593 1 20 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.982 -0.962 17857 10594 1 20 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.455 2.488 17857 10595 1 20 . 1 1 84 84 ALA H H 84 7.105 7.105 7.780 -0.675 17857 10596 1 20 . 1 1 85 85 CYS N N 85 112.195 112.195 113.247 -1.052 17857 10597 1 20 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.332 0.208 17857 10598 1 20 . 1 1 85 85 CYS C C 85 173.282 173.282 174.689 -1.407 17857 10599 1 20 . 1 1 85 85 CYS CA C 85 60.342 60.342 60.837 -0.495 17857 10600 1 20 . 1 1 85 85 CYS CB C 85 32.440 32.440 29.270 3.170 17857 10601 1 20 . 1 1 85 85 CYS H H 85 7.371 7.371 7.451 -0.080 17857 10602 1 20 . 1 1 86 86 ASN N N 86 118.815 118.815 119.677 -0.862 17857 10603 1 20 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.697 -0.200 17857 10604 1 20 . 1 1 86 86 ASN CA C 86 54.737 54.737 53.083 1.654 17857 10605 1 20 . 1 1 86 86 ASN CB C 86 42.130 42.130 37.637 4.493 17857 10606 1 20 . 1 1 86 86 ASN H H 86 8.347 8.347 8.238 0.109 17857 10607 1 20 . 1 1 87 87 ASN HA H 87 4.325 4.325 5.012 -0.687 17857 10608 1 20 . 1 1 87 87 ASN C C 87 176.216 176.216 174.310 1.906 17857 10609 1 20 . 1 1 87 87 ASN CA C 87 56.570 56.570 52.779 3.791 17857 10610 1 20 . 1 1 87 87 ASN CB C 87 38.479 38.479 39.244 -0.765 17857 10611 1 20 . 1 1 88 88 PHE N N 88 120.522 120.522 123.461 -2.939 17857 10612 1 20 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.216 -0.119 17857 10613 1 20 . 1 1 88 88 PHE C C 88 176.803 176.803 174.168 2.635 17857 10614 1 20 . 1 1 88 88 PHE CA C 88 61.023 61.023 59.886 1.137 17857 10615 1 20 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.744 -0.062 17857 10616 1 20 . 1 1 88 88 PHE H H 88 8.642 8.642 8.637 0.005 17857 10617 1 20 . 1 1 89 89 PHE N N 89 112.727 112.727 114.324 -1.597 17857 10618 1 20 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.466 -0.663 17857 10619 1 20 . 1 1 89 89 PHE C C 89 173.691 173.691 175.991 -2.300 17857 10620 1 20 . 1 1 89 89 PHE CA C 89 59.208 59.208 57.863 1.345 17857 10621 1 20 . 1 1 89 89 PHE CB C 89 39.029 39.029 39.150 -0.121 17857 10622 1 20 . 1 1 89 89 PHE H H 89 7.408 7.408 8.325 -0.917 17857 10623 1 20 . 1 1 90 90 TRP N N 90 118.731 118.731 120.770 -2.039 17857 10624 1 20 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.538 0.052 17857 10625 1 20 . 1 1 90 90 TRP C C 90 175.269 175.269 176.551 -1.282 17857 10626 1 20 . 1 1 90 90 TRP CA C 90 56.840 56.840 59.314 -2.474 17857 10627 1 20 . 1 1 90 90 TRP CB C 90 31.400 31.400 29.813 1.587 17857 10628 1 20 . 1 1 90 90 TRP H H 90 7.359 7.359 8.195 -0.836 17857 10629 1 20 . 1 1 91 91 GLU N N 91 121.302 121.302 117.815 3.487 17857 10630 1 20 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.468 -0.126 17857 10631 1 20 . 1 1 91 91 GLU C C 91 176.081 176.081 175.397 0.684 17857 10632 1 20 . 1 1 91 91 GLU CA C 91 56.857 56.857 56.048 0.809 17857 10633 1 20 . 1 1 91 91 GLU CB C 91 30.548 30.548 31.443 -0.895 17857 10634 1 20 . 1 1 91 91 GLU H H 91 7.766 7.766 7.934 -0.168 17857 10635 1 20 . 1 1 92 92 ASN N N 92 120.522 120.522 124.084 -3.562 17857 10636 1 20 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.444 0.323 17857 10637 1 20 . 1 1 92 92 ASN C C 92 174.283 174.283 175.081 -0.798 17857 10638 1 20 . 1 1 92 92 ASN CA C 92 53.407 53.407 53.443 -0.035 17857 10639 1 20 . 1 1 92 92 ASN CB C 92 39.276 39.276 37.981 1.295 17857 10640 1 20 . 1 1 92 92 ASN H H 92 8.462 8.462 8.808 -0.346 17857 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 90 2.633 -0.444 2.610 17857 2 1 1 "Average Difference" HA 96 0.311 0.001 0.312 17857 3 1 1 "Average Difference" C 89 1.253 -0.369 1.204 17857 4 1 1 "Average Difference" CA 91 1.369 -0.307 1.341 17857 5 1 1 "Average Difference" CB 86 1.239 -0.171 1.235 17857 6 1 1 "Average Difference" HN 90 0.704 -0.240 0.666 17857 7 1 2 "Average Difference" N 90 2.712 0.066 2.727 17857 8 1 2 "Average Difference" HA 96 0.321 -0.020 0.322 17857 9 1 2 "Average Difference" C 89 1.113 -0.271 1.086 17857 10 1 2 "Average Difference" CA 91 1.370 -0.226 1.359 17857 11 1 2 "Average Difference" CB 86 1.274 -0.200 1.266 17857 12 1 2 "Average Difference" HN 90 0.642 -0.164 0.624 17857 13 1 3 "Average Difference" N 90 2.764 -0.147 2.776 17857 14 1 3 "Average Difference" HA 96 0.311 -0.044 0.310 17857 15 1 3 "Average Difference" C 89 1.099 -0.250 1.076 17857 16 1 3 "Average Difference" CA 91 1.239 -0.281 1.214 17857 17 1 3 "Average Difference" CB 86 1.485 -0.307 1.461 17857 18 1 3 "Average Difference" HN 90 0.692 -0.174 0.674 17857 19 1 4 "Average Difference" N 90 2.496 0.019 2.510 17857 20 1 4 "Average Difference" HA 96 0.325 -0.015 0.327 17857 21 1 4 "Average Difference" C 89 1.046 -0.307 1.006 17857 22 1 4 "Average Difference" CA 91 1.310 -0.336 1.273 17857 23 1 4 "Average Difference" CB 86 1.217 -0.244 1.200 17857 24 1 4 "Average Difference" HN 90 0.644 -0.181 0.621 17857 25 1 5 "Average Difference" N 90 2.657 -0.242 2.661 17857 26 1 5 "Average Difference" HA 96 0.301 -0.012 0.303 17857 27 1 5 "Average Difference" C 89 1.075 -0.305 1.037 17857 28 1 5 "Average Difference" CA 91 1.305 -0.180 1.299 17857 29 1 5 "Average Difference" CB 86 1.178 -0.211 1.166 17857 30 1 5 "Average Difference" HN 90 0.613 -0.179 0.589 17857 31 1 6 "Average Difference" N 90 2.372 -0.150 2.381 17857 32 1 6 "Average Difference" HA 96 0.294 0.002 0.296 17857 33 1 6 "Average Difference" C 89 1.077 -0.256 1.052 17857 34 1 6 "Average Difference" CA 91 1.298 -0.221 1.286 17857 35 1 6 "Average Difference" CB 86 1.134 -0.193 1.124 17857 36 1 6 "Average Difference" HN 90 0.653 -0.125 0.644 17857 37 1 7 "Average Difference" N 90 2.629 -0.142 2.640 17857 38 1 7 "Average Difference" HA 96 0.305 0.021 0.306 17857 39 1 7 "Average Difference" C 89 1.053 -0.340 1.002 17857 40 1 7 "Average Difference" CA 91 1.310 -0.443 1.240 17857 41 1 7 "Average Difference" CB 86 1.165 -0.185 1.157 17857 42 1 7 "Average Difference" HN 90 0.623 -0.237 0.579 17857 43 1 8 "Average Difference" N 90 2.883 -0.021 2.899 17857 44 1 8 "Average Difference" HA 96 0.308 -0.005 0.310 17857 45 1 8 "Average Difference" C 89 1.140 -0.316 1.102 17857 46 1 8 "Average Difference" CA 91 1.350 -0.301 1.323 17857 47 1 8 "Average Difference" CB 86 1.200 -0.085 1.204 17857 48 1 8 "Average Difference" HN 90 0.660 -0.184 0.637 17857 49 1 9 "Average Difference" N 90 2.378 -0.089 2.390 17857 50 1 9 "Average Difference" HA 96 0.328 -0.001 0.330 17857 51 1 9 "Average Difference" C 89 1.081 -0.252 1.057 17857 52 1 9 "Average Difference" CA 91 1.456 -0.236 1.445 17857 53 1 9 "Average Difference" CB 86 1.202 -0.191 1.194 17857 54 1 9 "Average Difference" HN 90 0.667 -0.145 0.655 17857 55 1 10 "Average Difference" N 90 2.407 0.110 2.418 17857 56 1 10 "Average Difference" HA 96 0.300 -0.006 0.302 17857 57 1 10 "Average Difference" C 89 1.097 -0.238 1.077 17857 58 1 10 "Average Difference" CA 91 1.304 -0.187 1.297 17857 59 1 10 "Average Difference" CB 86 1.280 -0.302 1.251 17857 60 1 10 "Average Difference" HN 90 0.626 -0.137 0.614 17857 61 1 11 "Average Difference" N 90 2.846 -0.100 2.860 17857 62 1 11 "Average Difference" HA 96 0.283 -0.019 0.284 17857 63 1 11 "Average Difference" C 89 1.163 -0.282 1.135 17857 64 1 11 "Average Difference" CA 91 1.195 -0.244 1.177 17857 65 1 11 "Average Difference" CB 86 1.363 -0.366 1.321 17857 66 1 11 "Average Difference" HN 90 0.645 -0.159 0.628 17857 67 1 12 "Average Difference" N 90 2.450 -0.141 2.459 17857 68 1 12 "Average Difference" HA 96 0.317 -0.008 0.319 17857 69 1 12 "Average Difference" C 89 1.100 -0.209 1.086 17857 70 1 12 "Average Difference" CA 91 1.371 -0.267 1.352 17857 71 1 12 "Average Difference" CB 86 1.186 -0.278 1.160 17857 72 1 12 "Average Difference" HN 90 0.623 -0.157 0.607 17857 73 1 13 "Average Difference" N 90 2.587 0.009 2.602 17857 74 1 13 "Average Difference" HA 96 0.328 -0.009 0.329 17857 75 1 13 "Average Difference" C 89 1.061 -0.284 1.028 17857 76 1 13 "Average Difference" CA 91 1.375 -0.361 1.334 17857 77 1 13 "Average Difference" CB 86 1.270 -0.262 1.250 17857 78 1 13 "Average Difference" HN 90 0.651 -0.200 0.623 17857 79 1 14 "Average Difference" N 90 2.490 -0.072 2.503 17857 80 1 14 "Average Difference" HA 96 0.291 -0.025 0.291 17857 81 1 14 "Average Difference" C 89 1.149 -0.207 1.136 17857 82 1 14 "Average Difference" CA 91 1.102 -0.243 1.081 17857 83 1 14 "Average Difference" CB 86 1.305 -0.257 1.287 17857 84 1 14 "Average Difference" HN 90 0.641 -0.155 0.625 17857 85 1 15 "Average Difference" N 90 2.455 0.073 2.468 17857 86 1 15 "Average Difference" HA 96 0.293 0.018 0.294 17857 87 1 15 "Average Difference" C 89 1.137 -0.324 1.096 17857 88 1 15 "Average Difference" CA 91 1.260 -0.302 1.230 17857 89 1 15 "Average Difference" CB 86 1.234 -0.226 1.220 17857 90 1 15 "Average Difference" HN 90 0.648 -0.189 0.624 17857 91 1 16 "Average Difference" N 90 2.568 0.236 2.572 17857 92 1 16 "Average Difference" HA 96 0.289 0.001 0.291 17857 93 1 16 "Average Difference" C 89 1.160 -0.327 1.119 17857 94 1 16 "Average Difference" CA 91 1.368 -0.438 1.304 17857 95 1 16 "Average Difference" CB 86 1.225 -0.221 1.212 17857 96 1 16 "Average Difference" HN 90 0.651 -0.115 0.644 17857 97 1 17 "Average Difference" N 90 2.487 -0.173 2.495 17857 98 1 17 "Average Difference" HA 96 0.303 0.004 0.305 17857 99 1 17 "Average Difference" C 89 1.092 -0.292 1.058 17857 100 1 17 "Average Difference" CA 91 1.275 -0.273 1.252 17857 101 1 17 "Average Difference" CB 86 1.171 -0.239 1.153 17857 102 1 17 "Average Difference" HN 90 0.609 -0.113 0.602 17857 103 1 18 "Average Difference" N 90 2.696 -0.111 2.709 17857 104 1 18 "Average Difference" HA 96 0.307 -0.005 0.308 17857 105 1 18 "Average Difference" C 89 1.149 -0.477 1.051 17857 106 1 18 "Average Difference" CA 91 1.447 -0.430 1.389 17857 107 1 18 "Average Difference" CB 86 1.296 -0.135 1.296 17857 108 1 18 "Average Difference" HN 90 0.661 -0.205 0.632 17857 109 1 19 "Average Difference" N 90 2.862 -0.213 2.870 17857 110 1 19 "Average Difference" HA 96 0.314 0.002 0.316 17857 111 1 19 "Average Difference" C 89 1.077 -0.349 1.025 17857 112 1 19 "Average Difference" CA 91 1.484 -0.389 1.440 17857 113 1 19 "Average Difference" CB 86 1.253 -0.206 1.243 17857 114 1 19 "Average Difference" HN 90 0.648 -0.155 0.632 17857 115 1 20 "Average Difference" N 90 2.376 -0.362 2.361 17857 116 1 20 "Average Difference" HA 96 0.318 -0.044 0.317 17857 117 1 20 "Average Difference" C 89 1.169 -0.227 1.154 17857 118 1 20 "Average Difference" CA 91 1.325 -0.253 1.308 17857 119 1 20 "Average Difference" CB 86 1.346 -0.231 1.333 17857 120 1 20 "Average Difference" HN 90 0.645 -0.188 0.620 17857 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 17857 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER N N 2 118.698 118.698 116.232 2.466 17857 2 1 . 1 1 2 2 SER HA H 2 4.691 4.691 4.612 0.079 17857 3 1 . 1 1 2 2 SER C C 2 175.496 175.496 175.346 0.150 17857 4 1 . 1 1 2 2 SER CA C 2 57.481 57.481 57.382 0.099 17857 5 1 . 1 1 2 2 SER CB C 2 65.371 65.371 65.117 0.254 17857 6 1 . 1 1 2 2 SER H H 2 9.211 9.211 8.209 1.002 17857 7 1 . 1 1 3 3 GLU N N 3 122.860 122.860 122.074 0.786 17857 8 1 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.098 0.017 17857 9 1 . 1 1 3 3 GLU C C 3 179.171 179.171 178.384 0.787 17857 10 1 . 1 1 3 3 GLU CA C 3 60.757 60.757 59.061 1.696 17857 11 1 . 1 1 3 3 GLU CB C 3 29.039 29.039 29.552 -0.513 17857 12 1 . 1 1 3 3 GLU H H 3 9.205 9.205 8.944 0.261 17857 13 1 . 1 1 4 4 LEU N N 4 120.718 120.718 120.010 0.708 17857 14 1 . 1 1 4 4 LEU HA H 4 4.036 4.036 4.114 -0.078 17857 15 1 . 1 1 4 4 LEU C C 4 178.360 178.360 178.222 0.138 17857 16 1 . 1 1 4 4 LEU CA C 4 57.911 57.911 57.495 0.416 17857 17 1 . 1 1 4 4 LEU CB C 4 42.362 42.362 41.806 0.556 17857 18 1 . 1 1 4 4 LEU H H 4 8.854 8.854 7.837 1.017 17857 19 1 . 1 1 5 5 GLU N N 5 118.542 118.542 118.262 0.280 17857 20 1 . 1 1 5 5 GLU HA H 5 3.255 3.255 3.986 -0.731 17857 21 1 . 1 1 5 5 GLU C C 5 179.204 179.204 178.984 0.220 17857 22 1 . 1 1 5 5 GLU CA C 5 59.817 59.817 59.565 0.253 17857 23 1 . 1 1 5 5 GLU CB C 5 29.203 29.203 29.452 -0.249 17857 24 1 . 1 1 5 5 GLU H H 5 7.791 7.791 7.807 -0.016 17857 25 1 . 1 1 6 6 THR N N 6 115.783 115.783 113.801 1.982 17857 26 1 . 1 1 6 6 THR HA H 6 4.017 4.017 4.237 -0.221 17857 27 1 . 1 1 6 6 THR C C 6 176.807 176.807 175.935 0.872 17857 28 1 . 1 1 6 6 THR CA C 6 66.668 66.668 64.314 2.354 17857 29 1 . 1 1 6 6 THR CB C 6 68.763 68.763 68.745 0.018 17857 30 1 . 1 1 6 6 THR H H 6 8.371 8.371 7.721 0.650 17857 31 1 . 1 1 7 7 ALA N N 7 125.707 125.707 124.511 1.196 17857 32 1 . 1 1 7 7 ALA HA H 7 4.272 4.272 4.044 0.228 17857 33 1 . 1 1 7 7 ALA C C 7 179.856 179.856 179.547 0.309 17857 34 1 . 1 1 7 7 ALA CA C 7 55.702 55.702 55.210 0.493 17857 35 1 . 1 1 7 7 ALA CB C 7 18.230 18.230 18.325 -0.095 17857 36 1 . 1 1 7 7 ALA H H 7 8.267 8.267 7.830 0.437 17857 37 1 . 1 1 8 8 MET N N 8 115.222 115.222 115.639 -0.417 17857 38 1 . 1 1 8 8 MET HA H 8 4.858 4.858 4.429 0.429 17857 39 1 . 1 1 8 8 MET C C 8 179.635 179.635 178.538 1.097 17857 40 1 . 1 1 8 8 MET CA C 8 56.669 56.669 56.639 0.030 17857 41 1 . 1 1 8 8 MET CB C 8 29.136 29.136 31.476 -2.340 17857 42 1 . 1 1 8 8 MET H H 8 8.106 8.106 7.689 0.417 17857 43 1 . 1 1 9 9 GLU N N 9 120.456 120.456 119.694 0.762 17857 44 1 . 1 1 9 9 GLU HA H 9 4.115 4.115 4.105 0.010 17857 45 1 . 1 1 9 9 GLU C C 9 179.531 179.531 179.339 0.192 17857 46 1 . 1 1 9 9 GLU CA C 9 60.631 60.631 59.313 1.318 17857 47 1 . 1 1 9 9 GLU CB C 9 28.977 28.977 29.064 -0.087 17857 48 1 . 1 1 9 9 GLU H H 9 8.658 8.658 7.893 0.765 17857 49 1 . 1 1 10 10 THR N N 10 118.547 118.547 116.438 2.109 17857 50 1 . 1 1 10 10 THR HA H 10 4.116 4.116 4.208 -0.092 17857 51 1 . 1 1 10 10 THR C C 10 175.942 175.942 176.248 -0.306 17857 52 1 . 1 1 10 10 THR CA C 10 67.521 67.521 66.278 1.243 17857 53 1 . 1 1 10 10 THR CB C 10 67.933 67.933 68.827 -0.894 17857 54 1 . 1 1 10 10 THR H H 10 8.417 8.417 7.901 0.516 17857 55 1 . 1 1 11 11 LEU N N 11 121.715 121.715 122.815 -1.100 17857 56 1 . 1 1 11 11 LEU HA H 11 4.067 4.067 4.282 -0.215 17857 57 1 . 1 1 11 11 LEU C C 11 181.784 181.784 179.082 2.702 17857 58 1 . 1 1 11 11 LEU CA C 11 60.443 60.443 58.371 2.073 17857 59 1 . 1 1 11 11 LEU CB C 11 41.993 41.993 42.184 -0.191 17857 60 1 . 1 1 11 11 LEU H H 11 8.324 8.324 7.482 0.842 17857 61 1 . 1 1 12 12 ILE N N 12 121.081 121.081 119.347 1.734 17857 62 1 . 1 1 12 12 ILE HA H 12 3.564 3.564 3.789 -0.225 17857 63 1 . 1 1 12 12 ILE C C 12 176.221 176.221 177.171 -0.950 17857 64 1 . 1 1 12 12 ILE CA C 12 66.178 66.178 64.287 1.891 17857 65 1 . 1 1 12 12 ILE CB C 12 38.395 38.395 37.461 0.934 17857 66 1 . 1 1 12 12 ILE H H 12 8.419 8.419 8.294 0.125 17857 67 1 . 1 1 13 13 ASN N N 13 120.254 120.254 118.416 1.838 17857 68 1 . 1 1 13 13 ASN HA H 13 4.370 4.370 4.525 -0.155 17857 69 1 . 1 1 13 13 ASN C C 13 179.124 179.124 177.430 1.694 17857 70 1 . 1 1 13 13 ASN CA C 13 56.615 56.615 56.071 0.545 17857 71 1 . 1 1 13 13 ASN CB C 13 38.155 38.155 38.282 -0.127 17857 72 1 . 1 1 13 13 ASN H H 13 8.593 8.593 7.916 0.677 17857 73 1 . 1 1 14 14 VAL N N 14 121.599 121.599 118.263 3.336 17857 74 1 . 1 1 14 14 VAL HA H 14 3.856 3.856 3.655 0.201 17857 75 1 . 1 1 14 14 VAL C C 14 177.155 177.155 177.143 0.012 17857 76 1 . 1 1 14 14 VAL CA C 14 66.705 66.705 65.196 1.509 17857 77 1 . 1 1 14 14 VAL CB C 14 31.884 31.884 31.694 0.190 17857 78 1 . 1 1 14 14 VAL H H 14 8.838 8.838 7.483 1.355 17857 79 1 . 1 1 15 15 PHE N N 15 120.139 120.139 122.282 -2.143 17857 80 1 . 1 1 15 15 PHE HA H 15 3.599 3.599 3.893 -0.294 17857 81 1 . 1 1 15 15 PHE C C 15 177.601 177.601 176.709 0.892 17857 82 1 . 1 1 15 15 PHE CA C 15 62.399 62.399 62.170 0.229 17857 83 1 . 1 1 15 15 PHE CB C 15 39.632 39.632 39.222 0.410 17857 84 1 . 1 1 15 15 PHE H H 15 7.456 7.456 7.891 -0.435 17857 85 1 . 1 1 16 16 HIS N N 16 118.175 118.175 117.347 0.828 17857 86 1 . 1 1 16 16 HIS HA H 16 5.143 5.143 4.352 0.791 17857 87 1 . 1 1 16 16 HIS C C 16 177.972 177.972 177.276 0.696 17857 88 1 . 1 1 16 16 HIS CA C 16 55.795 55.795 57.826 -2.031 17857 89 1 . 1 1 16 16 HIS CB C 16 30.327 30.327 28.805 1.522 17857 90 1 . 1 1 16 16 HIS H H 16 9.137 9.137 8.351 0.786 17857 91 1 . 1 1 17 17 ALA N N 17 121.734 121.734 122.141 -0.407 17857 92 1 . 1 1 17 17 ALA HA H 17 3.820 3.820 4.030 -0.210 17857 93 1 . 1 1 17 17 ALA C C 17 178.713 178.713 178.728 -0.015 17857 94 1 . 1 1 17 17 ALA CA C 17 54.617 54.617 54.459 0.158 17857 95 1 . 1 1 17 17 ALA CB C 17 17.700 17.700 18.012 -0.312 17857 96 1 . 1 1 17 17 ALA H H 17 8.133 8.133 7.177 0.956 17857 97 1 . 1 1 18 18 HIS N N 18 113.408 113.408 115.731 -2.323 17857 98 1 . 1 1 18 18 HIS HA H 18 4.320 4.320 4.525 -0.205 17857 99 1 . 1 1 18 18 HIS CA C 18 57.837 57.837 57.831 0.006 17857 100 1 . 1 1 18 18 HIS CB C 18 32.648 32.648 30.262 2.386 17857 101 1 . 1 1 18 18 HIS H H 18 7.286 7.286 7.554 -0.268 17857 102 1 . 1 1 19 19 SER N N 19 120.877 120.877 115.710 5.167 17857 103 1 . 1 1 19 19 SER HA H 19 4.124 4.124 4.109 0.015 17857 104 1 . 1 1 19 19 SER C C 19 176.676 176.676 176.204 0.472 17857 105 1 . 1 1 19 19 SER CA C 19 60.979 60.979 60.901 0.078 17857 106 1 . 1 1 19 19 SER CB C 19 61.813 61.813 62.907 -1.094 17857 107 1 . 1 1 19 19 SER H H 19 9.322 9.322 7.953 1.369 17857 108 1 . 1 1 20 20 GLY N N 20 107.206 107.206 109.132 -1.926 17857 109 1 . 1 1 20 20 GLY C C 20 174.913 174.913 174.336 0.577 17857 110 1 . 1 1 20 20 GLY CA C 20 45.281 45.281 45.236 0.045 17857 111 1 . 1 1 20 20 GLY H H 20 8.233 8.233 7.787 0.446 17857 112 1 . 1 1 21 21 LYS N N 21 118.717 118.717 120.456 -1.739 17857 113 1 . 1 1 21 21 LYS HA H 21 4.041 4.041 4.231 -0.190 17857 114 1 . 1 1 21 21 LYS C C 21 176.623 176.623 176.251 0.372 17857 115 1 . 1 1 21 21 LYS CA C 21 58.185 58.185 56.884 1.301 17857 116 1 . 1 1 21 21 LYS CB C 21 33.157 33.157 33.049 0.108 17857 117 1 . 1 1 21 21 LYS H H 21 7.333 7.333 7.612 -0.279 17857 118 1 . 1 1 22 22 GLU N N 22 116.257 116.257 119.364 -3.107 17857 119 1 . 1 1 22 22 GLU HA H 22 4.441 4.441 4.274 0.167 17857 120 1 . 1 1 22 22 GLU C C 22 175.554 175.554 176.319 -0.765 17857 121 1 . 1 1 22 22 GLU CA C 22 55.488 55.488 56.549 -1.061 17857 122 1 . 1 1 22 22 GLU CB C 22 31.892 31.892 30.469 1.423 17857 123 1 . 1 1 22 22 GLU H H 22 7.603 7.603 8.378 -0.775 17857 124 1 . 1 1 23 23 GLY N N 23 108.614 108.614 110.857 -2.243 17857 125 1 . 1 1 23 23 GLY C C 23 173.976 173.976 173.467 0.509 17857 126 1 . 1 1 23 23 GLY CA C 23 46.024 46.024 44.530 1.494 17857 127 1 . 1 1 23 23 GLY H H 23 8.261 8.261 8.285 -0.024 17857 128 1 . 1 1 24 24 ASP N N 24 124.252 124.252 121.709 2.543 17857 129 1 . 1 1 24 24 ASP HA H 24 4.559 4.559 4.649 -0.090 17857 130 1 . 1 1 24 24 ASP C C 24 177.376 177.376 176.739 0.637 17857 131 1 . 1 1 24 24 ASP CA C 24 53.824 53.824 54.210 -0.386 17857 132 1 . 1 1 24 24 ASP CB C 24 42.692 42.692 41.254 1.438 17857 133 1 . 1 1 24 24 ASP H H 24 8.313 8.313 8.460 -0.147 17857 134 1 . 1 1 25 25 LYS N N 25 125.006 125.006 119.530 5.476 17857 135 1 . 1 1 25 25 LYS HA H 25 4.137 4.137 4.082 0.055 17857 136 1 . 1 1 25 25 LYS C C 25 175.980 175.980 176.888 -0.908 17857 137 1 . 1 1 25 25 LYS CA C 25 57.436 57.436 57.938 -0.502 17857 138 1 . 1 1 25 25 LYS CB C 25 32.345 32.345 32.409 -0.064 17857 139 1 . 1 1 25 25 LYS H H 25 8.327 8.327 8.259 0.068 17857 140 1 . 1 1 26 26 TYR N N 26 117.300 117.300 116.815 0.485 17857 141 1 . 1 1 26 26 TYR HA H 26 5.086 5.086 4.500 0.586 17857 142 1 . 1 1 26 26 TYR C C 26 175.592 175.592 175.716 -0.124 17857 143 1 . 1 1 26 26 TYR CA C 26 57.552 57.552 59.238 -1.686 17857 144 1 . 1 1 26 26 TYR CB C 26 38.052 38.052 39.201 -1.149 17857 145 1 . 1 1 26 26 TYR H H 26 8.490 8.490 7.929 0.561 17857 146 1 . 1 1 27 27 LYS N N 27 117.820 117.820 117.597 0.223 17857 147 1 . 1 1 27 27 LYS HA H 27 5.503 5.503 4.812 0.691 17857 148 1 . 1 1 27 27 LYS C C 27 174.259 174.259 174.941 -0.682 17857 149 1 . 1 1 27 27 LYS CA C 27 54.094 54.094 54.855 -0.761 17857 150 1 . 1 1 27 27 LYS CB C 27 37.626 37.626 35.414 2.212 17857 151 1 . 1 1 27 27 LYS H H 27 7.793 7.793 7.633 0.160 17857 152 1 . 1 1 28 28 LEU N N 28 120.282 120.282 122.118 -1.836 17857 153 1 . 1 1 28 28 LEU HA H 28 4.748 4.748 4.619 0.129 17857 154 1 . 1 1 28 28 LEU C C 28 176.038 176.038 175.491 0.547 17857 155 1 . 1 1 28 28 LEU CA C 28 53.042 53.042 53.538 -0.496 17857 156 1 . 1 1 28 28 LEU CB C 28 46.382 46.382 45.393 0.989 17857 157 1 . 1 1 28 28 LEU H H 28 8.692 8.692 8.395 0.297 17857 158 1 . 1 1 29 29 SER N N 29 119.669 119.669 118.537 1.132 17857 159 1 . 1 1 29 29 SER HA H 29 5.121 5.121 4.718 0.403 17857 160 1 . 1 1 29 29 SER C C 29 175.936 175.936 175.302 0.634 17857 161 1 . 1 1 29 29 SER CA C 29 57.760 57.760 58.017 -0.258 17857 162 1 . 1 1 29 29 SER CB C 29 64.689 64.689 64.529 0.160 17857 163 1 . 1 1 29 29 SER H H 29 8.797 8.797 8.576 0.221 17857 164 1 . 1 1 30 30 LYS N N 30 124.194 124.194 121.645 2.549 17857 165 1 . 1 1 30 30 LYS HA H 30 3.861 3.861 4.224 -0.363 17857 166 1 . 1 1 30 30 LYS C C 30 178.523 178.523 178.411 0.112 17857 167 1 . 1 1 30 30 LYS CA C 30 61.591 61.591 58.882 2.709 17857 168 1 . 1 1 30 30 LYS CB C 30 32.004 32.004 32.552 -0.548 17857 169 1 . 1 1 30 30 LYS H H 30 8.842 8.842 8.472 0.370 17857 170 1 . 1 1 31 31 LYS N N 31 119.922 119.922 119.266 0.656 17857 171 1 . 1 1 31 31 LYS HA H 31 4.157 4.157 4.015 0.142 17857 172 1 . 1 1 31 31 LYS C C 31 179.293 179.293 179.054 0.239 17857 173 1 . 1 1 31 31 LYS CA C 31 59.426 59.426 59.243 0.183 17857 174 1 . 1 1 31 31 LYS CB C 31 32.586 32.586 32.013 0.573 17857 175 1 . 1 1 31 31 LYS H H 31 8.786 8.786 8.241 0.545 17857 176 1 . 1 1 32 32 GLN N N 32 119.859 119.859 117.872 1.987 17857 177 1 . 1 1 32 32 GLN HA H 32 4.117 4.117 4.115 0.002 17857 178 1 . 1 1 32 32 GLN C C 32 179.272 179.272 177.924 1.348 17857 179 1 . 1 1 32 32 GLN CA C 32 58.178 58.178 58.062 0.116 17857 180 1 . 1 1 32 32 GLN CB C 32 28.820 28.820 28.531 0.289 17857 181 1 . 1 1 32 32 GLN H H 32 7.769 7.769 7.655 0.114 17857 182 1 . 1 1 33 33 LEU N N 33 122.146 122.146 120.776 1.370 17857 183 1 . 1 1 33 33 LEU HA H 33 4.045 4.045 3.943 0.102 17857 184 1 . 1 1 33 33 LEU C C 33 177.408 177.408 178.471 -1.063 17857 185 1 . 1 1 33 33 LEU CA C 33 57.335 57.335 58.196 -0.861 17857 186 1 . 1 1 33 33 LEU CB C 33 40.547 40.547 41.640 -1.093 17857 187 1 . 1 1 33 33 LEU H H 33 8.918 8.918 7.701 1.217 17857 188 1 . 1 1 34 34 LYS N N 34 120.726 120.726 117.785 2.941 17857 189 1 . 1 1 34 34 LYS HA H 34 3.626 3.626 3.959 -0.333 17857 190 1 . 1 1 34 34 LYS C C 34 177.675 177.675 178.821 -1.146 17857 191 1 . 1 1 34 34 LYS CA C 34 60.985 60.985 59.532 1.453 17857 192 1 . 1 1 34 34 LYS CB C 34 32.000 32.000 32.110 -0.110 17857 193 1 . 1 1 34 34 LYS H H 34 8.423 8.423 7.732 0.691 17857 194 1 . 1 1 35 35 GLU N N 35 116.999 116.999 119.525 -2.526 17857 195 1 . 1 1 35 35 GLU HA H 35 4.070 4.070 4.118 -0.048 17857 196 1 . 1 1 35 35 GLU C C 35 179.003 179.003 178.793 0.210 17857 197 1 . 1 1 35 35 GLU CA C 35 59.502 59.502 59.021 0.481 17857 198 1 . 1 1 35 35 GLU CB C 35 29.395 29.395 29.763 -0.368 17857 199 1 . 1 1 35 35 GLU H H 35 7.186 7.186 7.609 -0.423 17857 200 1 . 1 1 36 36 LEU N N 36 122.908 122.908 119.658 3.250 17857 201 1 . 1 1 36 36 LEU HA H 36 3.713 3.713 4.108 -0.395 17857 202 1 . 1 1 36 36 LEU C C 36 178.810 178.810 178.518 0.292 17857 203 1 . 1 1 36 36 LEU CA C 36 59.433 59.433 58.025 1.408 17857 204 1 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.207 1.095 17857 205 1 . 1 1 36 36 LEU H H 36 8.141 8.141 8.413 -0.272 17857 206 1 . 1 1 37 37 LEU N N 37 119.746 119.746 119.945 -0.199 17857 207 1 . 1 1 37 37 LEU HA H 37 3.689 3.689 3.835 -0.146 17857 208 1 . 1 1 37 37 LEU C C 37 178.128 178.128 179.137 -1.009 17857 209 1 . 1 1 37 37 LEU CA C 37 58.416 58.416 58.469 -0.053 17857 210 1 . 1 1 37 37 LEU CB C 37 41.523 41.523 41.460 0.063 17857 211 1 . 1 1 37 37 LEU H H 37 8.772 8.772 8.210 0.562 17857 212 1 . 1 1 38 38 GLN N N 38 113.312 113.312 117.071 -3.759 17857 213 1 . 1 1 38 38 GLN HA H 38 3.767 3.767 4.154 -0.387 17857 214 1 . 1 1 38 38 GLN C C 38 177.536 177.536 178.305 -0.769 17857 215 1 . 1 1 38 38 GLN CA C 38 58.786 58.786 58.509 0.277 17857 216 1 . 1 1 38 38 GLN CB C 38 29.014 29.014 28.673 0.342 17857 217 1 . 1 1 38 38 GLN H H 38 8.082 8.082 7.952 0.130 17857 218 1 . 1 1 39 39 THR N N 39 109.779 109.779 114.674 -4.895 17857 219 1 . 1 1 39 39 THR HA H 39 4.312 4.312 4.061 0.251 17857 220 1 . 1 1 39 39 THR C C 39 176.802 176.802 176.016 0.786 17857 221 1 . 1 1 39 39 THR CA C 39 64.576 64.576 65.447 -0.871 17857 222 1 . 1 1 39 39 THR CB C 39 69.847 69.847 68.862 0.985 17857 223 1 . 1 1 39 39 THR H H 39 7.683 7.683 7.927 -0.244 17857 224 1 . 1 1 40 40 GLU N N 40 118.440 118.440 119.430 -0.990 17857 225 1 . 1 1 40 40 GLU HA H 40 4.716 4.716 4.334 0.382 17857 226 1 . 1 1 40 40 GLU C C 40 177.106 177.106 177.670 -0.564 17857 227 1 . 1 1 40 40 GLU CA C 40 56.922 56.922 57.871 -0.949 17857 228 1 . 1 1 40 40 GLU CB C 40 30.262 30.262 30.395 -0.133 17857 229 1 . 1 1 40 40 GLU H H 40 8.971 8.971 8.379 0.592 17857 230 1 . 1 1 41 41 LEU N N 41 119.219 119.219 120.130 -0.911 17857 231 1 . 1 1 41 41 LEU HA H 41 5.128 5.128 4.467 0.661 17857 232 1 . 1 1 41 41 LEU C C 41 177.669 177.669 176.979 0.690 17857 233 1 . 1 1 41 41 LEU CA C 41 53.300 53.300 55.292 -1.993 17857 234 1 . 1 1 41 41 LEU CB C 41 42.208 42.208 42.619 -0.411 17857 235 1 . 1 1 41 41 LEU H H 41 7.733 7.733 8.232 -0.499 17857 236 1 . 1 1 42 42 SER N N 42 112.897 112.897 114.432 -1.535 17857 237 1 . 1 1 42 42 SER HA H 42 3.880 3.880 4.294 -0.414 17857 238 1 . 1 1 42 42 SER C C 42 176.429 176.429 174.473 1.956 17857 239 1 . 1 1 42 42 SER CA C 42 61.867 61.867 58.770 3.097 17857 240 1 . 1 1 42 42 SER CB C 42 62.864 62.864 62.667 0.198 17857 241 1 . 1 1 42 42 SER H H 42 6.915 6.915 8.438 -1.523 17857 242 1 . 1 1 43 43 GLY N N 43 114.357 114.357 107.638 6.719 17857 243 1 . 1 1 43 43 GLY C C 43 178.051 178.051 175.026 3.025 17857 244 1 . 1 1 43 43 GLY CA C 43 46.844 46.844 45.274 1.570 17857 245 1 . 1 1 43 43 GLY H H 43 9.244 9.244 8.196 1.048 17857 246 1 . 1 1 44 44 PHE N N 44 124.297 124.297 120.984 3.313 17857 247 1 . 1 1 44 44 PHE HA H 44 4.593 4.593 4.287 0.306 17857 248 1 . 1 1 44 44 PHE C C 44 178.168 178.168 177.325 0.843 17857 249 1 . 1 1 44 44 PHE CA C 44 57.510 57.510 59.993 -2.483 17857 250 1 . 1 1 44 44 PHE CB C 44 36.143 36.143 38.495 -2.352 17857 251 1 . 1 1 44 44 PHE H H 44 8.273 8.273 8.051 0.222 17857 252 1 . 1 1 45 45 LEU N N 45 116.097 116.097 114.551 1.546 17857 253 1 . 1 1 45 45 LEU HA H 45 4.176 4.176 4.270 -0.094 17857 254 1 . 1 1 45 45 LEU C C 45 179.069 179.069 177.462 1.607 17857 255 1 . 1 1 45 45 LEU CA C 45 57.580 57.580 56.554 1.026 17857 256 1 . 1 1 45 45 LEU CB C 45 41.377 41.377 41.041 0.336 17857 257 1 . 1 1 45 45 LEU H H 45 8.559 8.559 7.923 0.636 17857 258 1 . 1 1 46 46 ASP N N 46 119.849 119.849 120.622 -0.773 17857 259 1 . 1 1 46 46 ASP HA H 46 4.713 4.713 4.559 0.154 17857 260 1 . 1 1 46 46 ASP C C 46 176.152 176.152 175.980 0.173 17857 261 1 . 1 1 46 46 ASP CA C 46 55.845 55.845 55.091 0.754 17857 262 1 . 1 1 46 46 ASP CB C 46 41.640 41.640 40.999 0.641 17857 263 1 . 1 1 46 46 ASP H H 46 7.707 7.707 8.018 -0.311 17857 264 1 . 1 1 47 47 ALA N N 47 124.027 124.027 121.484 2.543 17857 265 1 . 1 1 47 47 ALA HA H 47 4.608 4.608 4.600 0.008 17857 266 1 . 1 1 47 47 ALA C C 47 176.271 176.271 175.909 0.362 17857 267 1 . 1 1 47 47 ALA CA C 47 50.721 50.721 52.104 -1.383 17857 268 1 . 1 1 47 47 ALA CB C 47 18.985 18.985 19.924 -0.939 17857 269 1 . 1 1 47 47 ALA H H 47 7.710 7.710 7.460 0.250 17857 270 1 . 1 1 48 48 GLN N N 48 117.138 117.138 119.597 -2.459 17857 271 1 . 1 1 48 48 GLN HA H 48 4.115 4.115 4.239 -0.124 17857 272 1 . 1 1 48 48 GLN C C 48 175.907 175.907 175.832 0.075 17857 273 1 . 1 1 48 48 GLN CA C 48 57.074 57.074 55.787 1.287 17857 274 1 . 1 1 48 48 GLN CB C 48 30.504 30.504 28.490 2.014 17857 275 1 . 1 1 48 48 GLN H H 48 7.562 7.562 8.172 -0.610 17857 276 1 . 1 1 49 49 LYS N N 49 121.265 121.265 123.397 -2.132 17857 277 1 . 1 1 49 49 LYS HA H 49 4.149 4.149 4.265 -0.116 17857 278 1 . 1 1 49 49 LYS C C 49 176.157 176.157 176.905 -0.748 17857 279 1 . 1 1 49 49 LYS CA C 49 56.337 56.337 57.180 -0.843 17857 280 1 . 1 1 49 49 LYS CB C 49 31.231 31.231 32.941 -1.710 17857 281 1 . 1 1 49 49 LYS H H 49 7.974 7.974 8.593 -0.619 17857 282 1 . 1 1 50 50 ASP N N 50 119.019 119.019 119.691 -0.672 17857 283 1 . 1 1 50 50 ASP HA H 50 4.682 4.682 4.616 0.066 17857 284 1 . 1 1 50 50 ASP C C 50 175.466 175.466 176.396 -0.930 17857 285 1 . 1 1 50 50 ASP CA C 50 51.810 51.810 54.362 -2.552 17857 286 1 . 1 1 50 50 ASP CB C 50 39.955 39.955 41.803 -1.848 17857 287 1 . 1 1 50 50 ASP H H 50 7.523 7.523 7.919 -0.396 17857 288 1 . 1 1 51 51 VAL N N 51 121.906 121.906 120.432 1.474 17857 289 1 . 1 1 51 51 VAL HA H 51 3.861 3.861 4.109 -0.248 17857 290 1 . 1 1 51 51 VAL C C 51 178.158 178.158 176.493 1.665 17857 291 1 . 1 1 51 51 VAL CA C 51 64.804 64.804 63.962 0.842 17857 292 1 . 1 1 51 51 VAL CB C 51 31.831 31.831 32.978 -1.148 17857 293 1 . 1 1 51 51 VAL H H 51 7.618 7.618 8.186 -0.568 17857 294 1 . 1 1 52 52 ASP N N 52 119.692 119.692 121.331 -1.639 17857 295 1 . 1 1 52 52 ASP HA H 52 4.359 4.359 4.358 0.000 17857 296 1 . 1 1 52 52 ASP C C 52 178.427 178.427 177.949 0.478 17857 297 1 . 1 1 52 52 ASP CA C 52 57.359 57.359 57.452 -0.093 17857 298 1 . 1 1 52 52 ASP CB C 52 40.921 40.921 39.693 1.228 17857 299 1 . 1 1 52 52 ASP H H 52 8.081 8.081 8.561 -0.480 17857 300 1 . 1 1 53 53 ALA N N 53 122.046 122.046 121.796 0.250 17857 301 1 . 1 1 53 53 ALA HA H 53 4.020 4.020 4.100 -0.080 17857 302 1 . 1 1 53 53 ALA C C 53 180.602 180.602 179.383 1.219 17857 303 1 . 1 1 53 53 ALA CA C 53 54.730 54.730 54.738 -0.008 17857 304 1 . 1 1 53 53 ALA CB C 53 18.867 18.867 18.295 0.572 17857 305 1 . 1 1 53 53 ALA H H 53 7.538 7.538 8.280 -0.742 17857 306 1 . 1 1 54 54 VAL N N 54 117.817 117.817 117.206 0.611 17857 307 1 . 1 1 54 54 VAL HA H 54 3.350 3.350 3.694 -0.344 17857 308 1 . 1 1 54 54 VAL C C 54 177.718 177.718 177.612 0.107 17857 309 1 . 1 1 54 54 VAL CA C 54 66.667 66.667 65.529 1.139 17857 310 1 . 1 1 54 54 VAL CB C 54 31.715 31.715 31.425 0.290 17857 311 1 . 1 1 54 54 VAL H H 54 7.286 7.286 7.672 -0.386 17857 312 1 . 1 1 55 55 ASP N N 55 119.601 119.601 120.140 -0.539 17857 313 1 . 1 1 55 55 ASP HA H 55 4.287 4.287 4.457 -0.170 17857 314 1 . 1 1 55 55 ASP C C 55 178.508 178.508 178.049 0.459 17857 315 1 . 1 1 55 55 ASP CA C 55 57.618 57.618 56.764 0.854 17857 316 1 . 1 1 55 55 ASP CB C 55 41.227 41.227 40.744 0.483 17857 317 1 . 1 1 55 55 ASP H H 55 8.456 8.456 8.127 0.329 17857 318 1 . 1 1 56 56 LYS N N 56 117.890 117.890 120.708 -2.818 17857 319 1 . 1 1 56 56 LYS HA H 56 3.935 3.935 3.981 -0.046 17857 320 1 . 1 1 56 56 LYS C C 56 179.509 179.509 178.737 0.772 17857 321 1 . 1 1 56 56 LYS CA C 56 59.889 59.889 59.511 0.378 17857 322 1 . 1 1 56 56 LYS CB C 56 32.520 32.520 32.223 0.297 17857 323 1 . 1 1 56 56 LYS H H 56 7.921 7.921 7.667 0.254 17857 324 1 . 1 1 57 57 VAL N N 57 119.196 119.196 118.976 0.220 17857 325 1 . 1 1 57 57 VAL HA H 57 3.722 3.722 3.735 -0.013 17857 326 1 . 1 1 57 57 VAL C C 57 177.928 177.928 177.560 0.368 17857 327 1 . 1 1 57 57 VAL CA C 57 66.218 66.218 65.674 0.544 17857 328 1 . 1 1 57 57 VAL CB C 57 32.331 32.331 31.683 0.648 17857 329 1 . 1 1 57 57 VAL H H 57 7.292 7.292 7.415 -0.123 17857 330 1 . 1 1 58 58 MET N N 58 115.902 115.902 117.892 -1.990 17857 331 1 . 1 1 58 58 MET HA H 58 4.128 4.128 4.134 -0.006 17857 332 1 . 1 1 58 58 MET C C 58 178.952 178.952 178.029 0.923 17857 333 1 . 1 1 58 58 MET CA C 58 57.582 57.582 58.259 -0.677 17857 334 1 . 1 1 58 58 MET CB C 58 31.511 31.511 32.108 -0.597 17857 335 1 . 1 1 58 58 MET H H 58 8.313 8.313 7.534 0.779 17857 336 1 . 1 1 59 59 LYS N N 59 118.845 118.845 120.507 -1.662 17857 337 1 . 1 1 59 59 LYS HA H 59 4.072 4.072 3.965 0.107 17857 338 1 . 1 1 59 59 LYS C C 59 179.149 179.149 178.562 0.587 17857 339 1 . 1 1 59 59 LYS CA C 59 59.160 59.160 59.637 -0.477 17857 340 1 . 1 1 59 59 LYS CB C 59 32.545 32.545 32.070 0.475 17857 341 1 . 1 1 59 59 LYS H H 59 8.563 8.563 8.316 0.247 17857 342 1 . 1 1 60 60 GLU N N 60 119.868 119.868 118.947 0.921 17857 343 1 . 1 1 60 60 GLU HA H 60 4.032 4.032 4.052 -0.020 17857 344 1 . 1 1 60 60 GLU C C 60 179.083 179.083 178.896 0.187 17857 345 1 . 1 1 60 60 GLU CA C 60 59.766 59.766 59.397 0.369 17857 346 1 . 1 1 60 60 GLU CB C 60 28.757 28.757 29.362 -0.605 17857 347 1 . 1 1 60 60 GLU H H 60 7.467 7.467 7.858 -0.391 17857 348 1 . 1 1 61 61 LEU N N 61 116.866 116.866 118.213 -1.347 17857 349 1 . 1 1 61 61 LEU HA H 61 3.967 3.967 4.048 -0.081 17857 350 1 . 1 1 61 61 LEU C C 61 177.870 177.870 178.572 -0.702 17857 351 1 . 1 1 61 61 LEU CA C 61 57.251 57.251 57.447 -0.196 17857 352 1 . 1 1 61 61 LEU CB C 61 40.770 40.770 41.793 -1.023 17857 353 1 . 1 1 61 61 LEU H H 61 7.597 7.597 7.453 0.144 17857 354 1 . 1 1 62 62 ASP N N 62 115.773 115.773 118.277 -2.504 17857 355 1 . 1 1 62 62 ASP HA H 62 4.487 4.487 4.406 0.081 17857 356 1 . 1 1 62 62 ASP C C 62 178.871 178.871 178.528 0.343 17857 357 1 . 1 1 62 62 ASP CA C 62 56.121 56.121 56.686 -0.565 17857 358 1 . 1 1 62 62 ASP CB C 62 41.826 41.826 40.670 1.156 17857 359 1 . 1 1 62 62 ASP H H 62 7.509 7.509 7.782 -0.273 17857 360 1 . 1 1 63 63 GLU N N 63 119.120 119.120 118.716 0.404 17857 361 1 . 1 1 63 63 GLU HA H 63 4.131 4.131 4.127 0.004 17857 362 1 . 1 1 63 63 GLU C C 63 176.937 176.937 177.309 -0.372 17857 363 1 . 1 1 63 63 GLU CA C 63 58.053 58.053 58.351 -0.298 17857 364 1 . 1 1 63 63 GLU CB C 63 30.119 30.119 30.164 -0.045 17857 365 1 . 1 1 63 63 GLU H H 63 8.068 8.068 8.199 -0.131 17857 366 1 . 1 1 64 64 ASN N N 64 117.779 117.779 115.419 2.360 17857 367 1 . 1 1 64 64 ASN HA H 64 5.122 5.122 4.801 0.321 17857 368 1 . 1 1 64 64 ASN C C 64 176.299 176.299 175.494 0.805 17857 369 1 . 1 1 64 64 ASN CA C 64 52.221 52.221 53.069 -0.848 17857 370 1 . 1 1 64 64 ASN CB C 64 38.943 38.943 39.570 -0.627 17857 371 1 . 1 1 64 64 ASN H H 64 7.719 7.719 7.813 -0.094 17857 372 1 . 1 1 65 65 GLY N N 65 106.860 106.860 108.473 -1.613 17857 373 1 . 1 1 65 65 GLY C C 65 174.113 174.113 173.488 0.625 17857 374 1 . 1 1 65 65 GLY CA C 65 47.965 47.965 45.891 2.074 17857 375 1 . 1 1 65 65 GLY H H 65 7.705 7.705 8.530 -0.825 17857 376 1 . 1 1 66 66 ASP N N 66 115.761 115.761 119.335 -3.574 17857 377 1 . 1 1 66 66 ASP HA H 66 4.837 4.837 4.720 0.117 17857 378 1 . 1 1 66 66 ASP C C 66 177.865 177.865 175.723 2.142 17857 379 1 . 1 1 66 66 ASP CA C 66 54.199 54.199 53.714 0.485 17857 380 1 . 1 1 66 66 ASP CB C 66 40.784 40.784 41.121 -0.337 17857 381 1 . 1 1 66 66 ASP H H 66 8.266 8.266 7.872 0.394 17857 382 1 . 1 1 67 67 GLY N N 67 109.034 109.034 108.730 0.304 17857 383 1 . 1 1 67 67 GLY C C 67 172.364 172.364 172.474 -0.110 17857 384 1 . 1 1 67 67 GLY CA C 67 45.136 45.136 44.927 0.209 17857 385 1 . 1 1 67 67 GLY H H 67 8.237 8.237 7.913 0.324 17857 386 1 . 1 1 68 68 GLU N N 68 117.964 117.964 118.929 -0.965 17857 387 1 . 1 1 68 68 GLU HA H 68 5.169 5.169 4.911 0.258 17857 388 1 . 1 1 68 68 GLU C C 68 176.201 176.201 175.328 0.873 17857 389 1 . 1 1 68 68 GLU CA C 68 55.328 55.328 55.578 -0.250 17857 390 1 . 1 1 68 68 GLU CB C 68 33.900 33.900 32.723 1.177 17857 391 1 . 1 1 68 68 GLU H H 68 8.415 8.415 8.323 0.092 17857 392 1 . 1 1 69 69 VAL N N 69 116.232 116.232 117.567 -1.335 17857 393 1 . 1 1 69 69 VAL HA H 69 4.901 4.901 4.725 0.176 17857 394 1 . 1 1 69 69 VAL C C 69 174.378 174.378 174.611 -0.233 17857 395 1 . 1 1 69 69 VAL CA C 69 59.551 59.551 59.952 -0.401 17857 396 1 . 1 1 69 69 VAL CB C 69 35.098 35.098 35.255 -0.157 17857 397 1 . 1 1 69 69 VAL H H 69 9.134 9.134 8.791 0.343 17857 398 1 . 1 1 70 70 ASP N N 70 121.337 121.337 122.501 -1.164 17857 399 1 . 1 1 70 70 ASP HA H 70 5.531 5.531 4.966 0.565 17857 400 1 . 1 1 70 70 ASP C C 70 176.081 176.081 176.739 -0.658 17857 401 1 . 1 1 70 70 ASP CA C 70 51.315 51.315 52.907 -1.592 17857 402 1 . 1 1 70 70 ASP CB C 70 42.873 42.873 42.942 -0.069 17857 403 1 . 1 1 70 70 ASP H H 70 8.233 8.233 8.308 -0.075 17857 404 1 . 1 1 71 71 PHE N N 71 119.131 119.131 120.725 -1.594 17857 405 1 . 1 1 71 71 PHE HA H 71 3.449 3.449 3.834 -0.385 17857 406 1 . 1 1 71 71 PHE C C 71 176.693 176.693 176.684 0.009 17857 407 1 . 1 1 71 71 PHE CA C 71 61.576 61.576 61.649 -0.073 17857 408 1 . 1 1 71 71 PHE CB C 71 40.468 40.468 39.284 1.184 17857 409 1 . 1 1 71 71 PHE H H 71 9.370 9.370 8.572 0.798 17857 410 1 . 1 1 72 72 GLN N N 72 116.462 116.462 117.799 -1.337 17857 411 1 . 1 1 72 72 GLN HA H 72 3.438 3.438 3.812 -0.374 17857 412 1 . 1 1 72 72 GLN C C 72 177.396 177.396 178.070 -0.674 17857 413 1 . 1 1 72 72 GLN CA C 72 60.767 60.767 59.353 1.414 17857 414 1 . 1 1 72 72 GLN CB C 72 28.783 28.783 28.181 0.602 17857 415 1 . 1 1 72 72 GLN H H 72 8.096 8.096 8.522 -0.426 17857 416 1 . 1 1 73 73 GLU N N 73 119.541 119.541 118.434 1.107 17857 417 1 . 1 1 73 73 GLU HA H 73 3.987 3.987 4.096 -0.109 17857 418 1 . 1 1 73 73 GLU C C 73 178.861 178.861 178.459 0.402 17857 419 1 . 1 1 73 73 GLU CA C 73 59.279 59.279 58.721 0.558 17857 420 1 . 1 1 73 73 GLU CB C 73 30.306 30.306 29.280 1.026 17857 421 1 . 1 1 73 73 GLU H H 73 8.139 8.139 8.604 -0.465 17857 422 1 . 1 1 74 74 TYR N N 74 122.065 122.065 120.786 1.279 17857 423 1 . 1 1 74 74 TYR HA H 74 4.322 4.322 4.286 0.036 17857 424 1 . 1 1 74 74 TYR C C 74 175.562 175.562 176.966 -1.404 17857 425 1 . 1 1 74 74 TYR CA C 74 60.327 60.327 61.021 -0.693 17857 426 1 . 1 1 74 74 TYR CB C 74 36.867 36.867 38.919 -2.052 17857 427 1 . 1 1 74 74 TYR H H 74 8.157 8.157 7.852 0.305 17857 428 1 . 1 1 75 75 VAL N N 75 119.872 119.872 117.112 2.760 17857 429 1 . 1 1 75 75 VAL HA H 75 2.670 2.670 3.006 -0.336 17857 430 1 . 1 1 75 75 VAL C C 75 177.425 177.425 177.522 -0.097 17857 431 1 . 1 1 75 75 VAL CA C 75 67.001 67.001 65.603 1.398 17857 432 1 . 1 1 75 75 VAL CB C 75 30.701 30.701 30.680 0.021 17857 433 1 . 1 1 75 75 VAL H H 75 7.915 7.915 7.871 0.044 17857 434 1 . 1 1 76 76 VAL N N 76 119.169 119.169 119.686 -0.517 17857 435 1 . 1 1 76 76 VAL HA H 76 3.350 3.350 3.555 -0.205 17857 436 1 . 1 1 76 76 VAL C C 76 178.933 178.933 177.772 1.161 17857 437 1 . 1 1 76 76 VAL CA C 76 66.800 66.800 65.947 0.853 17857 438 1 . 1 1 76 76 VAL CB C 76 31.600 31.600 31.397 0.203 17857 439 1 . 1 1 76 76 VAL H H 76 7.545 7.545 7.331 0.214 17857 440 1 . 1 1 77 77 LEU N N 77 121.356 121.356 119.498 1.858 17857 441 1 . 1 1 77 77 LEU HA H 77 4.179 4.179 3.894 0.285 17857 442 1 . 1 1 77 77 LEU C C 77 179.226 179.226 178.837 0.389 17857 443 1 . 1 1 77 77 LEU CA C 77 58.273 58.273 57.785 0.488 17857 444 1 . 1 1 77 77 LEU CB C 77 41.992 41.992 41.446 0.546 17857 445 1 . 1 1 77 77 LEU H H 77 7.789 7.789 7.341 0.448 17857 446 1 . 1 1 78 78 VAL N N 78 119.358 119.358 118.001 1.357 17857 447 1 . 1 1 78 78 VAL HA H 78 3.453 3.453 3.512 -0.059 17857 448 1 . 1 1 78 78 VAL C C 78 180.653 180.653 177.335 3.318 17857 449 1 . 1 1 78 78 VAL CA C 78 67.253 67.253 66.046 1.207 17857 450 1 . 1 1 78 78 VAL CB C 78 31.392 31.392 31.043 0.349 17857 451 1 . 1 1 78 78 VAL H H 78 8.350 8.350 7.486 0.864 17857 452 1 . 1 1 79 79 ALA N N 79 125.018 125.018 119.942 5.076 17857 453 1 . 1 1 79 79 ALA HA H 79 4.038 4.038 4.069 -0.032 17857 454 1 . 1 1 79 79 ALA C C 79 178.321 178.321 178.535 -0.214 17857 455 1 . 1 1 79 79 ALA CA C 79 56.081 56.081 53.821 2.260 17857 456 1 . 1 1 79 79 ALA CB C 79 18.289 18.289 18.214 0.075 17857 457 1 . 1 1 79 79 ALA H H 79 9.009 9.009 7.439 1.570 17857 458 1 . 1 1 80 80 ALA N N 80 121.933 121.933 123.308 -1.375 17857 459 1 . 1 1 80 80 ALA HA H 80 4.003 4.003 4.017 -0.014 17857 460 1 . 1 1 80 80 ALA C C 80 181.548 181.548 179.149 2.399 17857 461 1 . 1 1 80 80 ALA CA C 80 55.419 55.419 54.929 0.490 17857 462 1 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.128 -0.459 17857 463 1 . 1 1 80 80 ALA H H 80 8.311 8.311 7.450 0.861 17857 464 1 . 1 1 81 81 LEU N N 81 117.563 117.563 115.032 2.530 17857 465 1 . 1 1 81 81 LEU HA H 81 4.033 4.033 3.994 0.039 17857 466 1 . 1 1 81 81 LEU C C 81 178.536 178.536 178.418 0.118 17857 467 1 . 1 1 81 81 LEU CA C 81 57.663 57.663 57.268 0.395 17857 468 1 . 1 1 81 81 LEU CB C 81 41.953 41.953 41.226 0.727 17857 469 1 . 1 1 81 81 LEU H H 81 8.056 8.056 7.531 0.525 17857 470 1 . 1 1 82 82 THR N N 82 117.473 117.473 116.500 0.973 17857 471 1 . 1 1 82 82 THR HA H 82 3.669 3.669 3.354 0.315 17857 472 1 . 1 1 82 82 THR C C 82 176.658 176.658 176.288 0.370 17857 473 1 . 1 1 82 82 THR CA C 82 68.836 68.836 66.381 2.455 17857 474 1 . 1 1 82 82 THR CB C 82 67.515 67.515 68.243 -0.728 17857 475 1 . 1 1 82 82 THR H H 82 8.299 8.299 7.307 0.992 17857 476 1 . 1 1 83 83 VAL N N 83 121.111 121.111 120.810 0.301 17857 477 1 . 1 1 83 83 VAL HA H 83 3.126 3.126 3.649 -0.523 17857 478 1 . 1 1 83 83 VAL C C 83 176.323 176.323 177.067 -0.744 17857 479 1 . 1 1 83 83 VAL CA C 83 65.247 65.247 65.867 -0.620 17857 480 1 . 1 1 83 83 VAL CB C 83 31.022 31.022 31.255 -0.233 17857 481 1 . 1 1 83 83 VAL H H 83 7.953 7.953 7.676 0.277 17857 482 1 . 1 1 84 84 ALA N N 84 117.068 117.068 120.727 -3.659 17857 483 1 . 1 1 84 84 ALA HA H 84 4.573 4.573 4.000 0.573 17857 484 1 . 1 1 84 84 ALA C C 84 177.919 177.919 178.186 -0.267 17857 485 1 . 1 1 84 84 ALA CA C 84 54.020 54.020 54.748 -0.728 17857 486 1 . 1 1 84 84 ALA CB C 84 20.943 20.943 18.690 2.253 17857 487 1 . 1 1 84 84 ALA H H 84 7.105 7.105 7.557 -0.452 17857 488 1 . 1 1 85 85 CYS N N 85 112.195 112.195 113.931 -1.736 17857 489 1 . 1 1 85 85 CYS HA H 85 4.540 4.540 4.505 0.035 17857 490 1 . 1 1 85 85 CYS C C 85 173.282 173.282 175.079 -1.797 17857 491 1 . 1 1 85 85 CYS CA C 85 60.342 60.342 58.923 1.419 17857 492 1 . 1 1 85 85 CYS CB C 85 32.440 32.440 28.310 4.130 17857 493 1 . 1 1 85 85 CYS H H 85 7.371 7.371 7.442 -0.071 17857 494 1 . 1 1 86 86 ASN N N 86 118.815 118.815 120.817 -2.002 17857 495 1 . 1 1 86 86 ASN HA H 86 4.497 4.497 4.618 -0.121 17857 496 1 . 1 1 86 86 ASN CA C 86 54.737 54.737 55.101 -0.364 17857 497 1 . 1 1 86 86 ASN CB C 86 42.130 42.130 38.893 3.237 17857 498 1 . 1 1 86 86 ASN H H 86 8.347 8.347 8.107 0.240 17857 499 1 . 1 1 87 87 ASN HA H 87 4.325 4.325 4.814 -0.489 17857 500 1 . 1 1 87 87 ASN C C 87 176.216 176.216 174.648 1.568 17857 501 1 . 1 1 87 87 ASN CA C 87 56.570 56.570 53.216 3.354 17857 502 1 . 1 1 87 87 ASN CB C 87 38.479 38.479 38.147 0.332 17857 503 1 . 1 1 88 88 PHE N N 88 120.522 120.522 120.504 0.018 17857 504 1 . 1 1 88 88 PHE HA H 88 4.097 4.097 4.338 -0.241 17857 505 1 . 1 1 88 88 PHE C C 88 176.803 176.803 176.093 0.710 17857 506 1 . 1 1 88 88 PHE CA C 88 61.023 61.023 60.933 0.090 17857 507 1 . 1 1 88 88 PHE CB C 88 39.682 39.682 39.515 0.167 17857 508 1 . 1 1 88 88 PHE H H 88 8.642 8.642 8.411 0.231 17857 509 1 . 1 1 89 89 PHE N N 89 112.727 112.727 116.717 -3.990 17857 510 1 . 1 1 89 89 PHE HA H 89 3.803 3.803 4.481 -0.678 17857 511 1 . 1 1 89 89 PHE C C 89 173.691 173.691 175.666 -1.974 17857 512 1 . 1 1 89 89 PHE CA C 89 59.208 59.208 58.764 0.444 17857 513 1 . 1 1 89 89 PHE CB C 89 39.029 39.029 39.169 -0.140 17857 514 1 . 1 1 89 89 PHE H H 89 7.408 7.408 8.248 -0.840 17857 515 1 . 1 1 90 90 TRP N N 90 118.731 118.731 120.452 -1.721 17857 516 1 . 1 1 90 90 TRP HA H 90 4.590 4.590 4.543 0.047 17857 517 1 . 1 1 90 90 TRP C C 90 175.269 175.269 176.238 -0.969 17857 518 1 . 1 1 90 90 TRP CA C 90 56.840 56.840 57.945 -1.105 17857 519 1 . 1 1 90 90 TRP CB C 90 31.400 31.400 28.734 2.666 17857 520 1 . 1 1 90 90 TRP H H 90 7.359 7.359 8.087 -0.728 17857 521 1 . 1 1 91 91 GLU N N 91 121.302 121.302 119.844 1.458 17857 522 1 . 1 1 91 91 GLU HA H 91 4.342 4.342 4.175 0.167 17857 523 1 . 1 1 91 91 GLU C C 91 176.081 176.081 176.095 -0.014 17857 524 1 . 1 1 91 91 GLU CA C 91 56.857 56.857 56.764 0.093 17857 525 1 . 1 1 91 91 GLU CB C 91 30.548 30.548 30.184 0.364 17857 526 1 . 1 1 91 91 GLU H H 91 7.766 7.766 8.086 -0.320 17857 527 1 . 1 1 92 92 ASN N N 92 120.522 120.522 120.002 0.520 17857 528 1 . 1 1 92 92 ASN HA H 92 4.767 4.767 4.577 0.190 17857 529 1 . 1 1 92 92 ASN C C 92 174.283 174.283 175.121 -0.838 17857 530 1 . 1 1 92 92 ASN CA C 92 53.407 53.407 53.722 -0.315 17857 531 1 . 1 1 92 92 ASN CB C 92 39.276 39.276 38.382 0.894 17857 532 1 . 1 1 92 92 ASN H H 92 8.462 8.462 8.496 -0.034 17857 stop_ save_