data_25293 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25293 _Entry.PDB_ID 2MW0 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 25293 _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 TRP N N 2 124.464 124.464 126.797 -2.333 25293 2 1 1 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.670 -0.649 25293 3 1 1 . 1 1 2 2 TRP CA C 2 59.121 59.121 57.958 1.163 25293 4 1 1 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.893 -0.204 25293 5 1 1 . 1 1 2 2 TRP H H 2 8.268 8.268 7.527 0.741 25293 6 1 1 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.280 0.171 25293 7 1 1 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.306 1.909 25293 8 1 1 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.061 -0.311 25293 9 1 1 . 1 1 4 4 ILE N N 4 126.955 126.955 119.258 7.697 25293 10 1 1 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.740 0.446 25293 11 1 1 . 1 1 4 4 ILE CA C 4 60.005 60.005 61.343 -1.338 25293 12 1 1 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.246 0.163 25293 13 1 1 . 1 1 4 4 ILE H H 4 8.276 8.276 7.409 0.867 25293 14 1 1 . 1 1 5 5 CYS N N 5 124.228 124.228 123.987 0.241 25293 15 1 1 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.599 0.226 25293 16 1 1 . 1 1 5 5 CYS CB C 5 43.781 43.781 29.550 14.231 25293 17 1 1 . 1 1 5 5 CYS H H 5 7.650 7.650 8.102 -0.452 25293 18 1 1 . 1 1 6 6 LYS N N 6 122.395 122.395 122.348 0.047 25293 19 1 1 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.912 0.026 25293 20 1 1 . 1 1 6 6 LYS H H 6 9.212 9.212 8.062 1.150 25293 21 1 1 . 1 1 7 7 ARG N N 7 122.102 122.102 125.686 -3.584 25293 22 1 1 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.224 0.487 25293 23 1 1 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.512 2.209 25293 24 1 1 . 1 1 7 7 ARG H H 7 8.700 8.700 8.743 -0.043 25293 25 1 1 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.741 -0.426 25293 26 1 1 . 1 1 8 8 ASN CA C 8 54.388 54.388 53.032 1.356 25293 27 1 1 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.724 -1.159 25293 28 1 1 . 1 1 8 8 ASN H H 8 7.794 7.794 8.477 -0.683 25293 29 1 1 . 1 1 9 9 GLY N N 9 101.289 101.289 106.157 -4.868 25293 30 1 1 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.182 0.082 25293 31 1 1 . 1 1 9 9 GLY H H 9 8.652 8.652 8.469 0.183 25293 32 1 1 . 1 1 10 10 LEU N N 10 120.783 120.783 118.551 2.232 25293 33 1 1 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.726 0.329 25293 34 1 1 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.060 0.475 25293 35 1 1 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.165 -1.105 25293 36 1 1 . 1 1 10 10 LEU H H 10 7.791 7.791 7.681 0.110 25293 37 1 1 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.443 0.614 25293 38 1 1 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.788 -2.451 25293 39 1 1 . 1 1 12 12 VAL N N 12 115.299 115.299 117.716 -2.417 25293 40 1 1 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.230 0.371 25293 41 1 1 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.561 -1.460 25293 42 1 1 . 1 1 12 12 VAL H H 12 7.971 7.971 8.203 -0.232 25293 43 1 1 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.461 -0.130 25293 44 1 1 . 1 1 13 13 CYS CA C 13 59.105 59.105 59.476 -0.371 25293 45 1 1 . 1 1 13 13 CYS CB C 13 48.573 48.573 27.139 21.434 25293 46 1 1 . 1 1 13 13 CYS H H 13 8.103 8.103 8.012 0.091 25293 47 1 1 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.840 0.629 25293 48 1 1 . 1 1 14 14 GLY H H 14 8.433 8.433 8.578 -0.145 25293 49 1 1 . 1 1 15 15 GLU N N 15 115.613 115.613 117.066 -1.453 25293 50 1 1 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.627 0.040 25293 51 1 1 . 1 1 15 15 GLU CB C 15 32.554 32.554 32.853 -0.299 25293 52 1 1 . 1 1 15 15 GLU H H 15 7.064 7.064 7.961 -0.897 25293 53 1 1 . 1 1 16 16 THR N N 16 115.298 115.298 113.068 2.230 25293 54 1 1 . 1 1 16 16 THR HA H 16 4.525 4.525 4.719 -0.194 25293 55 1 1 . 1 1 16 16 THR CB C 16 70.742 70.742 69.344 1.399 25293 56 1 1 . 1 1 16 16 THR H H 16 8.413 8.413 8.026 0.387 25293 57 1 1 . 1 1 17 17 CYS N N 17 115.927 115.927 124.011 -8.084 25293 58 1 1 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.762 0.299 25293 59 1 1 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.321 5.277 25293 60 1 1 . 1 1 17 17 CYS CB C 17 47.454 47.454 29.221 18.233 25293 61 1 1 . 1 1 17 17 CYS H H 17 8.239 8.239 8.471 -0.232 25293 62 1 1 . 1 1 18 18 THR N N 18 117.192 117.192 116.102 1.090 25293 63 1 1 . 1 1 18 18 THR HA H 18 3.912 3.912 4.789 -0.877 25293 64 1 1 . 1 1 18 18 THR CA C 18 65.404 65.404 62.917 2.487 25293 65 1 1 . 1 1 18 18 THR H H 18 8.277 8.277 8.814 -0.537 25293 66 1 1 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.918 -0.427 25293 67 1 1 . 1 1 19 19 LEU CB C 19 40.963 40.963 42.055 -1.092 25293 68 1 1 . 1 1 19 19 LEU H H 19 8.474 8.474 7.706 0.768 25293 69 1 1 . 1 1 20 20 GLY N N 20 105.833 105.833 107.873 -2.040 25293 70 1 1 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.698 0.261 25293 71 1 1 . 1 1 20 20 GLY H H 20 8.123 8.123 8.405 -0.282 25293 72 1 1 . 1 1 21 21 THR N N 21 111.926 111.926 111.658 0.268 25293 73 1 1 . 1 1 21 21 THR HA H 21 4.653 4.653 4.378 0.275 25293 74 1 1 . 1 1 21 21 THR CB C 21 68.777 68.777 70.321 -1.544 25293 75 1 1 . 1 1 21 21 THR H H 21 7.658 7.658 7.538 0.120 25293 76 1 1 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.531 0.110 25293 77 1 1 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.476 17.281 25293 78 1 1 . 1 1 22 22 CYS H H 22 8.470 8.470 8.851 -0.381 25293 79 1 1 . 1 1 23 23 SER N N 23 122.918 122.918 118.793 4.125 25293 80 1 1 . 1 1 23 23 SER HA H 23 4.423 4.423 4.298 0.125 25293 81 1 1 . 1 1 23 23 SER CA C 23 59.914 59.914 60.221 -0.307 25293 82 1 1 . 1 1 23 23 SER CB C 23 64.597 64.597 63.425 1.172 25293 83 1 1 . 1 1 23 23 SER H H 23 10.973 10.973 8.807 2.166 25293 84 1 1 . 1 1 24 24 THR N N 24 124.108 124.108 115.229 8.879 25293 85 1 1 . 1 1 24 24 THR HA H 24 3.979 3.979 4.416 -0.437 25293 86 1 1 . 1 1 24 24 THR CA C 24 63.960 63.960 61.552 2.408 25293 87 1 1 . 1 1 24 24 THR CB C 24 68.471 68.471 69.777 -1.306 25293 88 1 1 . 1 1 24 24 THR H H 24 9.476 9.476 7.750 1.726 25293 89 1 1 . 1 1 25 25 GLN N N 25 128.543 128.543 121.500 7.043 25293 90 1 1 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.434 -0.509 25293 91 1 1 . 1 1 25 25 GLN CA C 25 57.951 57.951 55.887 2.064 25293 92 1 1 . 1 1 25 25 GLN CB C 25 28.195 28.195 28.626 -0.431 25293 93 1 1 . 1 1 25 25 GLN H H 25 8.714 8.714 8.590 0.124 25293 94 1 1 . 1 1 26 26 GLY CA C 26 45.249 45.249 45.178 0.071 25293 95 1 1 . 1 1 26 26 GLY H H 26 8.810 8.810 8.685 0.125 25293 96 1 1 . 1 1 27 27 CYS N N 27 117.687 117.687 119.834 -2.147 25293 97 1 1 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.606 0.467 25293 98 1 1 . 1 1 27 27 CYS CB C 27 49.941 49.941 28.649 21.292 25293 99 1 1 . 1 1 27 27 CYS H H 27 7.697 7.697 8.011 -0.314 25293 100 1 1 . 1 1 28 28 THR N N 28 115.298 115.298 117.942 -2.644 25293 101 1 1 . 1 1 28 28 THR HA H 28 4.488 4.488 4.641 -0.153 25293 102 1 1 . 1 1 28 28 THR CA C 28 60.019 60.019 61.185 -1.166 25293 103 1 1 . 1 1 28 28 THR CB C 28 71.515 71.515 70.330 1.185 25293 104 1 1 . 1 1 28 28 THR H H 28 9.354 9.354 8.598 0.756 25293 105 1 2 . 1 1 2 2 TRP N N 2 124.464 124.464 126.670 -2.206 25293 106 1 2 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.685 -0.664 25293 107 1 2 . 1 1 2 2 TRP CA C 2 59.121 59.121 58.332 0.789 25293 108 1 2 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.741 -0.052 25293 109 1 2 . 1 1 2 2 TRP H H 2 8.268 8.268 7.532 0.736 25293 110 1 2 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.285 0.166 25293 111 1 2 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.294 1.921 25293 112 1 2 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.108 -0.358 25293 113 1 2 . 1 1 4 4 ILE N N 4 126.955 126.955 119.069 7.886 25293 114 1 2 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.715 0.471 25293 115 1 2 . 1 1 4 4 ILE CA C 4 60.005 60.005 60.889 -0.884 25293 116 1 2 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.544 -0.135 25293 117 1 2 . 1 1 4 4 ILE H H 4 8.276 8.276 7.530 0.746 25293 118 1 2 . 1 1 5 5 CYS N N 5 124.228 124.228 122.858 1.370 25293 119 1 2 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.769 0.056 25293 120 1 2 . 1 1 5 5 CYS CB C 5 43.781 43.781 30.426 13.355 25293 121 1 2 . 1 1 5 5 CYS H H 5 7.650 7.650 8.259 -0.609 25293 122 1 2 . 1 1 6 6 LYS N N 6 122.395 122.395 121.459 0.936 25293 123 1 2 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.955 -0.017 25293 124 1 2 . 1 1 6 6 LYS H H 6 9.212 9.212 8.864 0.348 25293 125 1 2 . 1 1 7 7 ARG N N 7 122.102 122.102 125.821 -3.719 25293 126 1 2 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.320 0.391 25293 127 1 2 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.857 1.864 25293 128 1 2 . 1 1 7 7 ARG H H 7 8.700 8.700 8.573 0.127 25293 129 1 2 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.811 -0.496 25293 130 1 2 . 1 1 8 8 ASN CA C 8 54.388 54.388 53.000 1.388 25293 131 1 2 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.542 -0.977 25293 132 1 2 . 1 1 8 8 ASN H H 8 7.794 7.794 8.460 -0.666 25293 133 1 2 . 1 1 9 9 GLY N N 9 101.289 101.289 106.906 -5.617 25293 134 1 2 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.358 -0.093 25293 135 1 2 . 1 1 9 9 GLY H H 9 8.652 8.652 8.527 0.125 25293 136 1 2 . 1 1 10 10 LEU N N 10 120.783 120.783 118.375 2.408 25293 137 1 2 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.720 0.335 25293 138 1 2 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.121 0.414 25293 139 1 2 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.292 -1.232 25293 140 1 2 . 1 1 10 10 LEU H H 10 7.791 7.791 7.675 0.116 25293 141 1 2 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.455 0.602 25293 142 1 2 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.864 -2.527 25293 143 1 2 . 1 1 12 12 VAL N N 12 115.299 115.299 117.267 -1.968 25293 144 1 2 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.393 0.208 25293 145 1 2 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.529 -1.428 25293 146 1 2 . 1 1 12 12 VAL H H 12 7.971 7.971 7.973 -0.002 25293 147 1 2 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.672 -0.341 25293 148 1 2 . 1 1 13 13 CYS CA C 13 59.105 59.105 58.634 0.471 25293 149 1 2 . 1 1 13 13 CYS CB C 13 48.573 48.573 29.110 19.463 25293 150 1 2 . 1 1 13 13 CYS H H 13 8.103 8.103 8.032 0.071 25293 151 1 2 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.862 0.607 25293 152 1 2 . 1 1 14 14 GLY H H 14 8.433 8.433 8.745 -0.312 25293 153 1 2 . 1 1 15 15 GLU N N 15 115.613 115.613 117.721 -2.108 25293 154 1 2 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.520 0.147 25293 155 1 2 . 1 1 15 15 GLU CB C 15 32.554 32.554 29.607 2.947 25293 156 1 2 . 1 1 15 15 GLU H H 15 7.064 7.064 8.043 -0.979 25293 157 1 2 . 1 1 16 16 THR N N 16 115.298 115.298 113.812 1.486 25293 158 1 2 . 1 1 16 16 THR HA H 16 4.525 4.525 4.214 0.311 25293 159 1 2 . 1 1 16 16 THR CB C 16 70.742 70.742 68.680 2.062 25293 160 1 2 . 1 1 16 16 THR H H 16 8.413 8.413 8.076 0.337 25293 161 1 2 . 1 1 17 17 CYS N N 17 115.927 115.927 123.895 -7.968 25293 162 1 2 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.666 0.395 25293 163 1 2 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.316 5.282 25293 164 1 2 . 1 1 17 17 CYS CB C 17 47.454 47.454 28.951 18.503 25293 165 1 2 . 1 1 17 17 CYS H H 17 8.239 8.239 8.324 -0.085 25293 166 1 2 . 1 1 18 18 THR N N 18 117.192 117.192 115.390 1.802 25293 167 1 2 . 1 1 18 18 THR HA H 18 3.912 3.912 4.772 -0.860 25293 168 1 2 . 1 1 18 18 THR CA C 18 65.404 65.404 62.938 2.466 25293 169 1 2 . 1 1 18 18 THR H H 18 8.277 8.277 8.936 -0.659 25293 170 1 2 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.853 -0.362 25293 171 1 2 . 1 1 19 19 LEU CB C 19 40.963 40.963 42.006 -1.043 25293 172 1 2 . 1 1 19 19 LEU H H 19 8.474 8.474 7.871 0.603 25293 173 1 2 . 1 1 20 20 GLY N N 20 105.833 105.833 107.996 -2.163 25293 174 1 2 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.577 0.383 25293 175 1 2 . 1 1 20 20 GLY H H 20 8.123 8.123 8.388 -0.265 25293 176 1 2 . 1 1 21 21 THR N N 21 111.926 111.926 112.020 -0.094 25293 177 1 2 . 1 1 21 21 THR HA H 21 4.653 4.653 4.363 0.290 25293 178 1 2 . 1 1 21 21 THR CB C 21 68.777 68.777 70.033 -1.256 25293 179 1 2 . 1 1 21 21 THR H H 21 7.658 7.658 7.570 0.088 25293 180 1 2 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.501 0.140 25293 181 1 2 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.813 16.944 25293 182 1 2 . 1 1 22 22 CYS H H 22 8.470 8.470 8.725 -0.255 25293 183 1 2 . 1 1 23 23 SER N N 23 122.918 122.918 117.607 5.311 25293 184 1 2 . 1 1 23 23 SER HA H 23 4.423 4.423 4.475 -0.052 25293 185 1 2 . 1 1 23 23 SER CA C 23 59.914 59.914 60.642 -0.728 25293 186 1 2 . 1 1 23 23 SER CB C 23 64.597 64.597 63.833 0.764 25293 187 1 2 . 1 1 23 23 SER H H 23 10.973 10.973 8.606 2.367 25293 188 1 2 . 1 1 24 24 THR N N 24 124.108 124.108 116.046 8.062 25293 189 1 2 . 1 1 24 24 THR HA H 24 3.979 3.979 4.218 -0.239 25293 190 1 2 . 1 1 24 24 THR CA C 24 63.960 63.960 62.871 1.089 25293 191 1 2 . 1 1 24 24 THR CB C 24 68.471 68.471 69.527 -1.056 25293 192 1 2 . 1 1 24 24 THR H H 24 9.476 9.476 8.284 1.192 25293 193 1 2 . 1 1 25 25 GLN N N 25 128.543 128.543 123.346 5.197 25293 194 1 2 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.331 -0.406 25293 195 1 2 . 1 1 25 25 GLN CA C 25 57.951 57.951 55.624 2.327 25293 196 1 2 . 1 1 25 25 GLN CB C 25 28.195 28.195 27.766 0.429 25293 197 1 2 . 1 1 25 25 GLN H H 25 8.714 8.714 8.619 0.095 25293 198 1 2 . 1 1 26 26 GLY CA C 26 45.249 45.249 45.021 0.228 25293 199 1 2 . 1 1 26 26 GLY H H 26 8.810 8.810 8.020 0.790 25293 200 1 2 . 1 1 27 27 CYS N N 27 117.687 117.687 120.005 -2.318 25293 201 1 2 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.451 0.622 25293 202 1 2 . 1 1 27 27 CYS CB C 27 49.941 49.941 26.943 22.998 25293 203 1 2 . 1 1 27 27 CYS H H 27 7.697 7.697 8.233 -0.536 25293 204 1 2 . 1 1 28 28 THR N N 28 115.298 115.298 117.049 -1.751 25293 205 1 2 . 1 1 28 28 THR HA H 28 4.488 4.488 4.691 -0.203 25293 206 1 2 . 1 1 28 28 THR CA C 28 60.019 60.019 61.144 -1.125 25293 207 1 2 . 1 1 28 28 THR CB C 28 71.515 71.515 70.931 0.584 25293 208 1 2 . 1 1 28 28 THR H H 28 9.354 9.354 8.833 0.521 25293 209 1 3 . 1 1 2 2 TRP N N 2 124.464 124.464 126.832 -2.368 25293 210 1 3 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.672 -0.651 25293 211 1 3 . 1 1 2 2 TRP CA C 2 59.121 59.121 58.245 0.875 25293 212 1 3 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.884 -0.195 25293 213 1 3 . 1 1 2 2 TRP H H 2 8.268 8.268 7.576 0.692 25293 214 1 3 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.279 0.172 25293 215 1 3 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.301 1.914 25293 216 1 3 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.061 -0.311 25293 217 1 3 . 1 1 4 4 ILE N N 4 126.955 126.955 119.233 7.722 25293 218 1 3 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.740 0.446 25293 219 1 3 . 1 1 4 4 ILE CA C 4 60.005 60.005 61.348 -1.343 25293 220 1 3 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.247 0.162 25293 221 1 3 . 1 1 4 4 ILE H H 4 8.276 8.276 7.412 0.864 25293 222 1 3 . 1 1 5 5 CYS N N 5 124.228 124.228 123.629 0.599 25293 223 1 3 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.606 0.219 25293 224 1 3 . 1 1 5 5 CYS CB C 5 43.781 43.781 29.635 14.146 25293 225 1 3 . 1 1 5 5 CYS H H 5 7.650 7.650 8.120 -0.470 25293 226 1 3 . 1 1 6 6 LYS N N 6 122.395 122.395 122.352 0.043 25293 227 1 3 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.934 0.004 25293 228 1 3 . 1 1 6 6 LYS H H 6 9.212 9.212 8.052 1.160 25293 229 1 3 . 1 1 7 7 ARG N N 7 122.102 122.102 125.000 -2.898 25293 230 1 3 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.123 0.588 25293 231 1 3 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.624 2.097 25293 232 1 3 . 1 1 7 7 ARG H H 7 8.700 8.700 8.809 -0.109 25293 233 1 3 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.795 -0.480 25293 234 1 3 . 1 1 8 8 ASN CA C 8 54.388 54.388 53.227 1.161 25293 235 1 3 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.581 -1.016 25293 236 1 3 . 1 1 8 8 ASN H H 8 7.794 7.794 8.571 -0.777 25293 237 1 3 . 1 1 9 9 GLY N N 9 101.289 101.289 106.343 -5.054 25293 238 1 3 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.182 0.082 25293 239 1 3 . 1 1 9 9 GLY H H 9 8.652 8.652 8.489 0.163 25293 240 1 3 . 1 1 10 10 LEU N N 10 120.783 120.783 118.622 2.161 25293 241 1 3 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.722 0.333 25293 242 1 3 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.064 0.471 25293 243 1 3 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.216 -1.156 25293 244 1 3 . 1 1 10 10 LEU H H 10 7.791 7.791 7.713 0.078 25293 245 1 3 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.445 0.612 25293 246 1 3 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.792 -2.455 25293 247 1 3 . 1 1 12 12 VAL N N 12 115.299 115.299 117.716 -2.417 25293 248 1 3 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.230 0.371 25293 249 1 3 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.569 -1.468 25293 250 1 3 . 1 1 12 12 VAL H H 12 7.971 7.971 8.207 -0.236 25293 251 1 3 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.469 -0.138 25293 252 1 3 . 1 1 13 13 CYS CA C 13 59.105 59.105 59.456 -0.351 25293 253 1 3 . 1 1 13 13 CYS CB C 13 48.573 48.573 27.252 21.322 25293 254 1 3 . 1 1 13 13 CYS H H 13 8.103 8.103 8.013 0.090 25293 255 1 3 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.781 0.688 25293 256 1 3 . 1 1 14 14 GLY H H 14 8.433 8.433 8.577 -0.144 25293 257 1 3 . 1 1 15 15 GLU N N 15 115.613 115.613 117.371 -1.758 25293 258 1 3 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.650 0.017 25293 259 1 3 . 1 1 15 15 GLU CB C 15 32.554 32.554 33.050 -0.496 25293 260 1 3 . 1 1 15 15 GLU H H 15 7.064 7.064 7.942 -0.878 25293 261 1 3 . 1 1 16 16 THR N N 16 115.298 115.298 112.425 2.873 25293 262 1 3 . 1 1 16 16 THR HA H 16 4.525 4.525 4.810 -0.285 25293 263 1 3 . 1 1 16 16 THR CB C 16 70.742 70.742 69.628 1.114 25293 264 1 3 . 1 1 16 16 THR H H 16 8.413 8.413 7.965 0.448 25293 265 1 3 . 1 1 17 17 CYS N N 17 115.927 115.927 124.371 -8.444 25293 266 1 3 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.801 0.260 25293 267 1 3 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.131 5.467 25293 268 1 3 . 1 1 17 17 CYS CB C 17 47.454 47.454 28.840 18.614 25293 269 1 3 . 1 1 17 17 CYS H H 17 8.239 8.239 8.474 -0.235 25293 270 1 3 . 1 1 18 18 THR N N 18 117.192 117.192 115.522 1.670 25293 271 1 3 . 1 1 18 18 THR HA H 18 3.912 3.912 4.798 -0.886 25293 272 1 3 . 1 1 18 18 THR CA C 18 65.404 65.404 63.249 2.155 25293 273 1 3 . 1 1 18 18 THR H H 18 8.277 8.277 8.756 -0.479 25293 274 1 3 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.935 -0.444 25293 275 1 3 . 1 1 19 19 LEU CB C 19 40.963 40.963 41.916 -0.953 25293 276 1 3 . 1 1 19 19 LEU H H 19 8.474 8.474 7.799 0.675 25293 277 1 3 . 1 1 20 20 GLY N N 20 105.833 105.833 108.188 -2.355 25293 278 1 3 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.612 0.347 25293 279 1 3 . 1 1 20 20 GLY H H 20 8.123 8.123 8.432 -0.309 25293 280 1 3 . 1 1 21 21 THR N N 21 111.926 111.926 111.443 0.483 25293 281 1 3 . 1 1 21 21 THR HA H 21 4.653 4.653 4.365 0.288 25293 282 1 3 . 1 1 21 21 THR CB C 21 68.777 68.777 70.023 -1.246 25293 283 1 3 . 1 1 21 21 THR H H 21 7.658 7.658 7.593 0.065 25293 284 1 3 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.524 0.117 25293 285 1 3 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.657 17.101 25293 286 1 3 . 1 1 22 22 CYS H H 22 8.470 8.470 8.874 -0.404 25293 287 1 3 . 1 1 23 23 SER N N 23 122.918 122.918 118.533 4.385 25293 288 1 3 . 1 1 23 23 SER HA H 23 4.423 4.423 4.342 0.081 25293 289 1 3 . 1 1 23 23 SER CA C 23 59.914 59.914 60.302 -0.388 25293 290 1 3 . 1 1 23 23 SER CB C 23 64.597 64.597 63.521 1.076 25293 291 1 3 . 1 1 23 23 SER H H 23 10.973 10.973 8.838 2.135 25293 292 1 3 . 1 1 24 24 THR N N 24 124.108 124.108 114.731 9.377 25293 293 1 3 . 1 1 24 24 THR HA H 24 3.979 3.979 4.405 -0.426 25293 294 1 3 . 1 1 24 24 THR CA C 24 63.960 63.960 61.976 1.984 25293 295 1 3 . 1 1 24 24 THR CB C 24 68.471 68.471 69.659 -1.188 25293 296 1 3 . 1 1 24 24 THR H H 24 9.476 9.476 7.668 1.808 25293 297 1 3 . 1 1 25 25 GLN N N 25 128.543 128.543 121.692 6.851 25293 298 1 3 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.613 -0.688 25293 299 1 3 . 1 1 25 25 GLN CA C 25 57.951 57.951 55.811 2.140 25293 300 1 3 . 1 1 25 25 GLN CB C 25 28.195 28.195 28.768 -0.573 25293 301 1 3 . 1 1 25 25 GLN H H 25 8.714 8.714 8.703 0.011 25293 302 1 3 . 1 1 26 26 GLY CA C 26 45.249 45.249 45.159 0.090 25293 303 1 3 . 1 1 26 26 GLY H H 26 8.810 8.810 8.419 0.391 25293 304 1 3 . 1 1 27 27 CYS N N 27 117.687 117.687 117.790 -0.103 25293 305 1 3 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.721 0.352 25293 306 1 3 . 1 1 27 27 CYS CB C 27 49.941 49.941 30.941 19.000 25293 307 1 3 . 1 1 27 27 CYS H H 27 7.697 7.697 7.856 -0.159 25293 308 1 3 . 1 1 28 28 THR N N 28 115.298 115.298 117.754 -2.456 25293 309 1 3 . 1 1 28 28 THR HA H 28 4.488 4.488 4.677 -0.189 25293 310 1 3 . 1 1 28 28 THR CA C 28 60.019 60.019 61.182 -1.163 25293 311 1 3 . 1 1 28 28 THR CB C 28 71.515 71.515 70.424 1.091 25293 312 1 3 . 1 1 28 28 THR H H 28 9.354 9.354 8.626 0.728 25293 313 1 4 . 1 1 2 2 TRP N N 2 124.464 124.464 126.946 -2.482 25293 314 1 4 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.678 -0.657 25293 315 1 4 . 1 1 2 2 TRP CA C 2 59.121 59.121 57.898 1.223 25293 316 1 4 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.873 -0.184 25293 317 1 4 . 1 1 2 2 TRP H H 2 8.268 8.268 7.542 0.726 25293 318 1 4 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.279 0.172 25293 319 1 4 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.310 1.905 25293 320 1 4 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.050 -0.300 25293 321 1 4 . 1 1 4 4 ILE N N 4 126.955 126.955 119.259 7.696 25293 322 1 4 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.744 0.442 25293 323 1 4 . 1 1 4 4 ILE CA C 4 60.005 60.005 61.344 -1.339 25293 324 1 4 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.248 0.161 25293 325 1 4 . 1 1 4 4 ILE H H 4 8.276 8.276 7.415 0.861 25293 326 1 4 . 1 1 5 5 CYS N N 5 124.228 124.228 123.873 0.355 25293 327 1 4 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.551 0.274 25293 328 1 4 . 1 1 5 5 CYS CB C 5 43.781 43.781 29.825 13.956 25293 329 1 4 . 1 1 5 5 CYS H H 5 7.650 7.650 8.308 -0.658 25293 330 1 4 . 1 1 6 6 LYS N N 6 122.395 122.395 122.456 -0.061 25293 331 1 4 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.928 0.010 25293 332 1 4 . 1 1 6 6 LYS H H 6 9.212 9.212 8.183 1.029 25293 333 1 4 . 1 1 7 7 ARG N N 7 122.102 122.102 125.709 -3.607 25293 334 1 4 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.201 0.510 25293 335 1 4 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.628 2.093 25293 336 1 4 . 1 1 7 7 ARG H H 7 8.700 8.700 8.751 -0.051 25293 337 1 4 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.793 -0.478 25293 338 1 4 . 1 1 8 8 ASN CA C 8 54.388 54.388 52.927 1.461 25293 339 1 4 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.636 -1.071 25293 340 1 4 . 1 1 8 8 ASN H H 8 7.794 7.794 8.415 -0.621 25293 341 1 4 . 1 1 9 9 GLY N N 9 101.289 101.289 107.067 -5.778 25293 342 1 4 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.593 -0.329 25293 343 1 4 . 1 1 9 9 GLY H H 9 8.652 8.652 8.550 0.102 25293 344 1 4 . 1 1 10 10 LEU N N 10 120.783 120.783 118.089 2.694 25293 345 1 4 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.695 0.360 25293 346 1 4 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.171 0.364 25293 347 1 4 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.411 -1.351 25293 348 1 4 . 1 1 10 10 LEU H H 10 7.791 7.791 7.664 0.127 25293 349 1 4 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.460 0.597 25293 350 1 4 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.517 -2.180 25293 351 1 4 . 1 1 12 12 VAL N N 12 115.299 115.299 116.125 -0.826 25293 352 1 4 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.221 0.380 25293 353 1 4 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.824 -1.723 25293 354 1 4 . 1 1 12 12 VAL H H 12 7.971 7.971 8.046 -0.075 25293 355 1 4 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.458 -0.127 25293 356 1 4 . 1 1 13 13 CYS CA C 13 59.105 59.105 59.285 -0.180 25293 357 1 4 . 1 1 13 13 CYS CB C 13 48.573 48.573 27.343 21.230 25293 358 1 4 . 1 1 13 13 CYS H H 13 8.103 8.103 8.064 0.039 25293 359 1 4 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.504 0.965 25293 360 1 4 . 1 1 14 14 GLY H H 14 8.433 8.433 8.660 -0.227 25293 361 1 4 . 1 1 15 15 GLU N N 15 115.613 115.613 117.229 -1.616 25293 362 1 4 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.659 0.008 25293 363 1 4 . 1 1 15 15 GLU CB C 15 32.554 32.554 31.892 0.662 25293 364 1 4 . 1 1 15 15 GLU H H 15 7.064 7.064 8.030 -0.966 25293 365 1 4 . 1 1 16 16 THR N N 16 115.298 115.298 111.798 3.500 25293 366 1 4 . 1 1 16 16 THR HA H 16 4.525 4.525 4.868 -0.343 25293 367 1 4 . 1 1 16 16 THR CB C 16 70.742 70.742 69.597 1.145 25293 368 1 4 . 1 1 16 16 THR H H 16 8.413 8.413 8.237 0.176 25293 369 1 4 . 1 1 17 17 CYS N N 17 115.927 115.927 124.386 -8.459 25293 370 1 4 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.794 0.267 25293 371 1 4 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.286 5.312 25293 372 1 4 . 1 1 17 17 CYS CB C 17 47.454 47.454 29.063 18.391 25293 373 1 4 . 1 1 17 17 CYS H H 17 8.239 8.239 8.508 -0.269 25293 374 1 4 . 1 1 18 18 THR N N 18 117.192 117.192 115.392 1.800 25293 375 1 4 . 1 1 18 18 THR HA H 18 3.912 3.912 4.777 -0.865 25293 376 1 4 . 1 1 18 18 THR CA C 18 65.404 65.404 63.525 1.879 25293 377 1 4 . 1 1 18 18 THR H H 18 8.277 8.277 8.844 -0.567 25293 378 1 4 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.907 -0.416 25293 379 1 4 . 1 1 19 19 LEU CB C 19 40.963 40.963 41.834 -0.871 25293 380 1 4 . 1 1 19 19 LEU H H 19 8.474 8.474 7.680 0.794 25293 381 1 4 . 1 1 20 20 GLY N N 20 105.833 105.833 108.366 -2.533 25293 382 1 4 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.779 0.180 25293 383 1 4 . 1 1 20 20 GLY H H 20 8.123 8.123 8.394 -0.271 25293 384 1 4 . 1 1 21 21 THR N N 21 111.926 111.926 112.424 -0.498 25293 385 1 4 . 1 1 21 21 THR HA H 21 4.653 4.653 4.406 0.247 25293 386 1 4 . 1 1 21 21 THR CB C 21 68.777 68.777 69.900 -1.123 25293 387 1 4 . 1 1 21 21 THR H H 21 7.658 7.658 7.601 0.057 25293 388 1 4 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.462 0.179 25293 389 1 4 . 1 1 22 22 CYS CB C 22 44.757 44.757 28.163 16.594 25293 390 1 4 . 1 1 22 22 CYS H H 22 8.470 8.470 8.441 0.029 25293 391 1 4 . 1 1 23 23 SER N N 23 122.918 122.918 114.787 8.131 25293 392 1 4 . 1 1 23 23 SER HA H 23 4.423 4.423 4.705 -0.282 25293 393 1 4 . 1 1 23 23 SER CA C 23 59.914 59.914 58.795 1.119 25293 394 1 4 . 1 1 23 23 SER CB C 23 64.597 64.597 63.400 1.197 25293 395 1 4 . 1 1 23 23 SER H H 23 10.973 10.973 8.768 2.205 25293 396 1 4 . 1 1 24 24 THR N N 24 124.108 124.108 115.753 8.355 25293 397 1 4 . 1 1 24 24 THR HA H 24 3.979 3.979 4.406 -0.427 25293 398 1 4 . 1 1 24 24 THR CA C 24 63.960 63.960 61.727 2.233 25293 399 1 4 . 1 1 24 24 THR CB C 24 68.471 68.471 69.156 -0.685 25293 400 1 4 . 1 1 24 24 THR H H 24 9.476 9.476 7.900 1.576 25293 401 1 4 . 1 1 25 25 GLN N N 25 128.543 128.543 119.744 8.799 25293 402 1 4 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.087 -0.162 25293 403 1 4 . 1 1 25 25 GLN CA C 25 57.951 57.951 56.867 1.084 25293 404 1 4 . 1 1 25 25 GLN CB C 25 28.195 28.195 27.370 0.825 25293 405 1 4 . 1 1 25 25 GLN H H 25 8.714 8.714 8.294 0.420 25293 406 1 4 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.915 0.334 25293 407 1 4 . 1 1 26 26 GLY H H 26 8.810 8.810 8.536 0.274 25293 408 1 4 . 1 1 27 27 CYS N N 27 117.687 117.687 120.355 -2.668 25293 409 1 4 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.536 0.537 25293 410 1 4 . 1 1 27 27 CYS CB C 27 49.941 49.941 28.695 21.247 25293 411 1 4 . 1 1 27 27 CYS H H 27 7.697 7.697 8.218 -0.521 25293 412 1 4 . 1 1 28 28 THR N N 28 115.298 115.298 116.851 -1.553 25293 413 1 4 . 1 1 28 28 THR HA H 28 4.488 4.488 4.577 -0.089 25293 414 1 4 . 1 1 28 28 THR CA C 28 60.019 60.019 61.460 -1.441 25293 415 1 4 . 1 1 28 28 THR CB C 28 71.515 71.515 70.098 1.417 25293 416 1 4 . 1 1 28 28 THR H H 28 9.354 9.354 8.380 0.974 25293 417 1 5 . 1 1 2 2 TRP N N 2 124.464 124.464 126.871 -2.407 25293 418 1 5 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.684 -0.663 25293 419 1 5 . 1 1 2 2 TRP CA C 2 59.121 59.121 57.925 1.196 25293 420 1 5 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.848 -0.159 25293 421 1 5 . 1 1 2 2 TRP H H 2 8.268 8.268 7.519 0.749 25293 422 1 5 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.279 0.172 25293 423 1 5 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.305 1.910 25293 424 1 5 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.056 -0.306 25293 425 1 5 . 1 1 4 4 ILE N N 4 126.955 126.955 119.267 7.688 25293 426 1 5 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.741 0.445 25293 427 1 5 . 1 1 4 4 ILE CA C 4 60.005 60.005 61.307 -1.302 25293 428 1 5 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.238 0.171 25293 429 1 5 . 1 1 4 4 ILE H H 4 8.276 8.276 7.403 0.873 25293 430 1 5 . 1 1 5 5 CYS N N 5 124.228 124.228 124.002 0.226 25293 431 1 5 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.603 0.222 25293 432 1 5 . 1 1 5 5 CYS CB C 5 43.781 43.781 29.454 14.327 25293 433 1 5 . 1 1 5 5 CYS H H 5 7.650 7.650 8.100 -0.450 25293 434 1 5 . 1 1 6 6 LYS N N 6 122.395 122.395 122.474 -0.079 25293 435 1 5 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.926 0.012 25293 436 1 5 . 1 1 6 6 LYS H H 6 9.212 9.212 8.045 1.167 25293 437 1 5 . 1 1 7 7 ARG N N 7 122.102 122.102 124.728 -2.626 25293 438 1 5 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.222 0.489 25293 439 1 5 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.762 1.959 25293 440 1 5 . 1 1 7 7 ARG H H 7 8.700 8.700 8.725 -0.025 25293 441 1 5 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.806 -0.491 25293 442 1 5 . 1 1 8 8 ASN CA C 8 54.388 54.388 52.886 1.502 25293 443 1 5 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.566 -1.001 25293 444 1 5 . 1 1 8 8 ASN H H 8 7.794 7.794 8.405 -0.611 25293 445 1 5 . 1 1 9 9 GLY N N 9 101.289 101.289 105.776 -4.487 25293 446 1 5 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.557 -0.293 25293 447 1 5 . 1 1 9 9 GLY H H 9 8.652 8.652 8.502 0.150 25293 448 1 5 . 1 1 10 10 LEU N N 10 120.783 120.783 118.995 1.788 25293 449 1 5 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.722 0.333 25293 450 1 5 . 1 1 10 10 LEU CA C 10 51.535 51.535 50.755 0.779 25293 451 1 5 . 1 1 10 10 LEU CB C 10 44.060 44.060 44.871 -0.811 25293 452 1 5 . 1 1 10 10 LEU H H 10 7.791 7.791 7.664 0.127 25293 453 1 5 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.466 0.591 25293 454 1 5 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.532 -2.195 25293 455 1 5 . 1 1 12 12 VAL N N 12 115.299 115.299 116.344 -1.045 25293 456 1 5 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.216 0.385 25293 457 1 5 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.815 -1.714 25293 458 1 5 . 1 1 12 12 VAL H H 12 7.971 7.971 8.038 -0.067 25293 459 1 5 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.482 -0.151 25293 460 1 5 . 1 1 13 13 CYS CA C 13 59.105 59.105 59.150 -0.045 25293 461 1 5 . 1 1 13 13 CYS CB C 13 48.573 48.573 26.929 21.644 25293 462 1 5 . 1 1 13 13 CYS H H 13 8.103 8.103 8.058 0.045 25293 463 1 5 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.913 0.556 25293 464 1 5 . 1 1 14 14 GLY H H 14 8.433 8.433 8.645 -0.212 25293 465 1 5 . 1 1 15 15 GLU N N 15 115.613 115.613 116.655 -1.042 25293 466 1 5 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.655 0.012 25293 467 1 5 . 1 1 15 15 GLU CB C 15 32.554 32.554 32.808 -0.254 25293 468 1 5 . 1 1 15 15 GLU H H 15 7.064 7.064 7.891 -0.827 25293 469 1 5 . 1 1 16 16 THR N N 16 115.298 115.298 112.721 2.577 25293 470 1 5 . 1 1 16 16 THR HA H 16 4.525 4.525 4.805 -0.280 25293 471 1 5 . 1 1 16 16 THR CB C 16 70.742 70.742 69.791 0.951 25293 472 1 5 . 1 1 16 16 THR H H 16 8.413 8.413 8.013 0.400 25293 473 1 5 . 1 1 17 17 CYS N N 17 115.927 115.927 124.167 -8.240 25293 474 1 5 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.755 0.306 25293 475 1 5 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.277 5.321 25293 476 1 5 . 1 1 17 17 CYS CB C 17 47.454 47.454 29.190 18.264 25293 477 1 5 . 1 1 17 17 CYS H H 17 8.239 8.239 8.541 -0.302 25293 478 1 5 . 1 1 18 18 THR N N 18 117.192 117.192 116.255 0.937 25293 479 1 5 . 1 1 18 18 THR HA H 18 3.912 3.912 4.793 -0.881 25293 480 1 5 . 1 1 18 18 THR CA C 18 65.404 65.404 63.119 2.285 25293 481 1 5 . 1 1 18 18 THR H H 18 8.277 8.277 8.827 -0.550 25293 482 1 5 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.872 -0.381 25293 483 1 5 . 1 1 19 19 LEU CB C 19 40.963 40.963 42.128 -1.165 25293 484 1 5 . 1 1 19 19 LEU H H 19 8.474 8.474 7.773 0.701 25293 485 1 5 . 1 1 20 20 GLY N N 20 105.833 105.833 107.928 -2.095 25293 486 1 5 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.695 0.264 25293 487 1 5 . 1 1 20 20 GLY H H 20 8.123 8.123 8.406 -0.283 25293 488 1 5 . 1 1 21 21 THR N N 21 111.926 111.926 111.409 0.517 25293 489 1 5 . 1 1 21 21 THR HA H 21 4.653 4.653 4.415 0.237 25293 490 1 5 . 1 1 21 21 THR CB C 21 68.777 68.777 70.274 -1.497 25293 491 1 5 . 1 1 21 21 THR H H 21 7.658 7.658 7.504 0.154 25293 492 1 5 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.579 0.062 25293 493 1 5 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.542 17.215 25293 494 1 5 . 1 1 22 22 CYS H H 22 8.470 8.470 8.889 -0.419 25293 495 1 5 . 1 1 23 23 SER N N 23 122.918 122.918 118.918 4.000 25293 496 1 5 . 1 1 23 23 SER HA H 23 4.423 4.423 4.308 0.115 25293 497 1 5 . 1 1 23 23 SER CA C 23 59.914 59.914 60.489 -0.575 25293 498 1 5 . 1 1 23 23 SER CB C 23 64.597 64.597 63.560 1.037 25293 499 1 5 . 1 1 23 23 SER H H 23 10.973 10.973 8.876 2.097 25293 500 1 5 . 1 1 24 24 THR N N 24 124.108 124.108 116.045 8.063 25293 501 1 5 . 1 1 24 24 THR HA H 24 3.979 3.979 4.413 -0.434 25293 502 1 5 . 1 1 24 24 THR CA C 24 63.960 63.960 61.808 2.152 25293 503 1 5 . 1 1 24 24 THR CB C 24 68.471 68.471 69.858 -1.387 25293 504 1 5 . 1 1 24 24 THR H H 24 9.476 9.476 7.683 1.793 25293 505 1 5 . 1 1 25 25 GLN N N 25 128.543 128.543 121.189 7.354 25293 506 1 5 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.405 -0.480 25293 507 1 5 . 1 1 25 25 GLN CA C 25 57.951 57.951 55.331 2.620 25293 508 1 5 . 1 1 25 25 GLN CB C 25 28.195 28.195 28.788 -0.593 25293 509 1 5 . 1 1 25 25 GLN H H 25 8.714 8.714 8.499 0.215 25293 510 1 5 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.812 0.437 25293 511 1 5 . 1 1 26 26 GLY H H 26 8.810 8.810 8.518 0.292 25293 512 1 5 . 1 1 27 27 CYS N N 27 117.687 117.687 120.943 -3.256 25293 513 1 5 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.461 0.612 25293 514 1 5 . 1 1 27 27 CYS CB C 27 49.941 49.941 27.970 21.971 25293 515 1 5 . 1 1 27 27 CYS H H 27 7.697 7.697 8.163 -0.466 25293 516 1 5 . 1 1 28 28 THR N N 28 115.298 115.298 118.173 -2.875 25293 517 1 5 . 1 1 28 28 THR HA H 28 4.488 4.488 4.615 -0.127 25293 518 1 5 . 1 1 28 28 THR CA C 28 60.019 60.019 61.384 -1.365 25293 519 1 5 . 1 1 28 28 THR CB C 28 71.515 71.515 69.894 1.621 25293 520 1 5 . 1 1 28 28 THR H H 28 9.354 9.354 8.614 0.740 25293 521 1 6 . 1 1 2 2 TRP N N 2 124.464 124.464 126.543 -2.079 25293 522 1 6 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.672 -0.651 25293 523 1 6 . 1 1 2 2 TRP CA C 2 59.121 59.121 58.148 0.973 25293 524 1 6 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.868 -0.179 25293 525 1 6 . 1 1 2 2 TRP H H 2 8.268 8.268 7.550 0.718 25293 526 1 6 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.265 0.186 25293 527 1 6 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.286 1.929 25293 528 1 6 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.029 -0.279 25293 529 1 6 . 1 1 4 4 ILE N N 4 126.955 126.955 119.104 7.851 25293 530 1 6 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.743 0.443 25293 531 1 6 . 1 1 4 4 ILE CA C 4 60.005 60.005 61.458 -1.452 25293 532 1 6 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.245 0.164 25293 533 1 6 . 1 1 4 4 ILE H H 4 8.276 8.276 7.435 0.841 25293 534 1 6 . 1 1 5 5 CYS N N 5 124.228 124.228 122.812 1.416 25293 535 1 6 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.736 0.089 25293 536 1 6 . 1 1 5 5 CYS CB C 5 43.781 43.781 30.505 13.276 25293 537 1 6 . 1 1 5 5 CYS H H 5 7.650 7.650 8.168 -0.518 25293 538 1 6 . 1 1 6 6 LYS N N 6 122.395 122.395 120.908 1.487 25293 539 1 6 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.906 0.032 25293 540 1 6 . 1 1 6 6 LYS H H 6 9.212 9.212 8.791 0.421 25293 541 1 6 . 1 1 7 7 ARG N N 7 122.102 122.102 125.335 -3.233 25293 542 1 6 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.254 0.457 25293 543 1 6 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.513 2.208 25293 544 1 6 . 1 1 7 7 ARG H H 7 8.700 8.700 8.735 -0.035 25293 545 1 6 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.774 -0.459 25293 546 1 6 . 1 1 8 8 ASN CA C 8 54.388 54.388 52.963 1.425 25293 547 1 6 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.555 -0.990 25293 548 1 6 . 1 1 8 8 ASN H H 8 7.794 7.794 8.480 -0.686 25293 549 1 6 . 1 1 9 9 GLY N N 9 101.289 101.289 106.126 -4.837 25293 550 1 6 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.288 -0.024 25293 551 1 6 . 1 1 9 9 GLY H H 9 8.652 8.652 8.476 0.176 25293 552 1 6 . 1 1 10 10 LEU N N 10 120.783 120.783 118.706 2.077 25293 553 1 6 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.738 0.317 25293 554 1 6 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.000 0.535 25293 555 1 6 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.175 -1.115 25293 556 1 6 . 1 1 10 10 LEU H H 10 7.791 7.791 7.682 0.109 25293 557 1 6 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.465 0.593 25293 558 1 6 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.758 -2.421 25293 559 1 6 . 1 1 12 12 VAL N N 12 115.299 115.299 118.087 -2.788 25293 560 1 6 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.235 0.366 25293 561 1 6 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.640 -1.539 25293 562 1 6 . 1 1 12 12 VAL H H 12 7.971 7.971 8.052 -0.081 25293 563 1 6 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.515 -0.184 25293 564 1 6 . 1 1 13 13 CYS CA C 13 59.105 59.105 59.173 -0.068 25293 565 1 6 . 1 1 13 13 CYS CB C 13 48.573 48.573 27.155 21.418 25293 566 1 6 . 1 1 13 13 CYS H H 13 8.103 8.103 7.990 0.113 25293 567 1 6 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.838 0.631 25293 568 1 6 . 1 1 14 14 GLY H H 14 8.433 8.433 8.595 -0.162 25293 569 1 6 . 1 1 15 15 GLU N N 15 115.613 115.613 117.463 -1.850 25293 570 1 6 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.644 0.023 25293 571 1 6 . 1 1 15 15 GLU CB C 15 32.554 32.554 33.051 -0.497 25293 572 1 6 . 1 1 15 15 GLU H H 15 7.064 7.064 7.962 -0.898 25293 573 1 6 . 1 1 16 16 THR N N 16 115.298 115.298 112.378 2.920 25293 574 1 6 . 1 1 16 16 THR HA H 16 4.525 4.525 4.820 -0.295 25293 575 1 6 . 1 1 16 16 THR CB C 16 70.742 70.742 69.638 1.104 25293 576 1 6 . 1 1 16 16 THR H H 16 8.413 8.413 7.986 0.427 25293 577 1 6 . 1 1 17 17 CYS N N 17 115.927 115.927 124.056 -8.129 25293 578 1 6 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.779 0.282 25293 579 1 6 . 1 1 17 17 CYS CA C 17 62.598 62.598 56.988 5.610 25293 580 1 6 . 1 1 17 17 CYS CB C 17 47.454 47.454 29.324 18.130 25293 581 1 6 . 1 1 17 17 CYS H H 17 8.239 8.239 8.504 -0.265 25293 582 1 6 . 1 1 18 18 THR N N 18 117.192 117.192 116.064 1.128 25293 583 1 6 . 1 1 18 18 THR HA H 18 3.912 3.912 4.796 -0.884 25293 584 1 6 . 1 1 18 18 THR CA C 18 65.404 65.404 63.451 1.953 25293 585 1 6 . 1 1 18 18 THR H H 18 8.277 8.277 8.906 -0.629 25293 586 1 6 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.735 -0.244 25293 587 1 6 . 1 1 19 19 LEU CB C 19 40.963 40.963 42.033 -1.070 25293 588 1 6 . 1 1 19 19 LEU H H 19 8.474 8.474 7.681 0.793 25293 589 1 6 . 1 1 20 20 GLY N N 20 105.833 105.833 107.996 -2.163 25293 590 1 6 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.334 0.625 25293 591 1 6 . 1 1 20 20 GLY H H 20 8.123 8.123 8.279 -0.156 25293 592 1 6 . 1 1 21 21 THR N N 21 111.926 111.926 111.934 -0.008 25293 593 1 6 . 1 1 21 21 THR HA H 21 4.653 4.653 4.338 0.315 25293 594 1 6 . 1 1 21 21 THR CB C 21 68.777 68.777 70.004 -1.227 25293 595 1 6 . 1 1 21 21 THR H H 21 7.658 7.658 7.563 0.095 25293 596 1 6 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.614 0.027 25293 597 1 6 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.834 16.923 25293 598 1 6 . 1 1 22 22 CYS H H 22 8.470 8.470 8.457 0.013 25293 599 1 6 . 1 1 23 23 SER N N 23 122.918 122.918 117.058 5.860 25293 600 1 6 . 1 1 23 23 SER HA H 23 4.423 4.423 4.407 0.016 25293 601 1 6 . 1 1 23 23 SER CA C 23 59.914 59.914 60.507 -0.593 25293 602 1 6 . 1 1 23 23 SER CB C 23 64.597 64.597 63.477 1.120 25293 603 1 6 . 1 1 23 23 SER H H 23 10.973 10.973 8.629 2.344 25293 604 1 6 . 1 1 24 24 THR N N 24 124.108 124.108 116.215 7.893 25293 605 1 6 . 1 1 24 24 THR HA H 24 3.979 3.979 4.341 -0.362 25293 606 1 6 . 1 1 24 24 THR CA C 24 63.960 63.960 62.257 1.704 25293 607 1 6 . 1 1 24 24 THR CB C 24 68.471 68.471 69.526 -1.055 25293 608 1 6 . 1 1 24 24 THR H H 24 9.476 9.476 7.653 1.823 25293 609 1 6 . 1 1 25 25 GLN N N 25 128.543 128.543 121.491 7.052 25293 610 1 6 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.432 -0.507 25293 611 1 6 . 1 1 25 25 GLN CA C 25 57.951 57.951 55.724 2.227 25293 612 1 6 . 1 1 25 25 GLN CB C 25 28.195 28.195 28.610 -0.415 25293 613 1 6 . 1 1 25 25 GLN H H 25 8.714 8.714 8.549 0.165 25293 614 1 6 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.716 0.533 25293 615 1 6 . 1 1 26 26 GLY H H 26 8.810 8.810 8.527 0.283 25293 616 1 6 . 1 1 27 27 CYS N N 27 117.687 117.687 119.160 -1.473 25293 617 1 6 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.621 0.452 25293 618 1 6 . 1 1 27 27 CYS CB C 27 49.941 49.941 28.698 21.244 25293 619 1 6 . 1 1 27 27 CYS H H 27 7.697 7.697 8.094 -0.397 25293 620 1 6 . 1 1 28 28 THR N N 28 115.298 115.298 116.607 -1.309 25293 621 1 6 . 1 1 28 28 THR HA H 28 4.488 4.488 4.678 -0.190 25293 622 1 6 . 1 1 28 28 THR CA C 28 60.019 60.019 61.503 -1.484 25293 623 1 6 . 1 1 28 28 THR CB C 28 71.515 71.515 70.879 0.636 25293 624 1 6 . 1 1 28 28 THR H H 28 9.354 9.354 8.840 0.514 25293 625 1 7 . 1 1 2 2 TRP N N 2 124.464 124.464 126.525 -2.061 25293 626 1 7 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.665 -0.644 25293 627 1 7 . 1 1 2 2 TRP CA C 2 59.121 59.121 57.911 1.210 25293 628 1 7 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.841 -0.152 25293 629 1 7 . 1 1 2 2 TRP H H 2 8.268 8.268 7.489 0.779 25293 630 1 7 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.276 0.175 25293 631 1 7 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.303 1.912 25293 632 1 7 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.101 -0.351 25293 633 1 7 . 1 1 4 4 ILE N N 4 126.955 126.955 119.006 7.949 25293 634 1 7 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.717 0.469 25293 635 1 7 . 1 1 4 4 ILE CA C 4 60.005 60.005 60.864 -0.859 25293 636 1 7 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.529 -0.120 25293 637 1 7 . 1 1 4 4 ILE H H 4 8.276 8.276 7.547 0.729 25293 638 1 7 . 1 1 5 5 CYS N N 5 124.228 124.228 122.875 1.353 25293 639 1 7 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.777 0.048 25293 640 1 7 . 1 1 5 5 CYS CB C 5 43.781 43.781 30.517 13.264 25293 641 1 7 . 1 1 5 5 CYS H H 5 7.650 7.650 8.270 -0.620 25293 642 1 7 . 1 1 6 6 LYS N N 6 122.395 122.395 121.235 1.160 25293 643 1 7 . 1 1 6 6 LYS HA H 6 4.938 4.938 5.021 -0.083 25293 644 1 7 . 1 1 6 6 LYS H H 6 9.212 9.212 8.885 0.327 25293 645 1 7 . 1 1 7 7 ARG N N 7 122.102 122.102 125.453 -3.351 25293 646 1 7 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.356 0.355 25293 647 1 7 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.834 1.887 25293 648 1 7 . 1 1 7 7 ARG H H 7 8.700 8.700 8.750 -0.050 25293 649 1 7 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.797 -0.482 25293 650 1 7 . 1 1 8 8 ASN CA C 8 54.388 54.388 53.044 1.344 25293 651 1 7 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.712 -1.147 25293 652 1 7 . 1 1 8 8 ASN H H 8 7.794 7.794 8.488 -0.694 25293 653 1 7 . 1 1 9 9 GLY N N 9 101.289 101.289 106.415 -5.126 25293 654 1 7 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.047 0.216 25293 655 1 7 . 1 1 9 9 GLY H H 9 8.652 8.652 8.476 0.176 25293 656 1 7 . 1 1 10 10 LEU N N 10 120.783 120.783 118.407 2.376 25293 657 1 7 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.700 0.355 25293 658 1 7 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.238 0.297 25293 659 1 7 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.410 -1.350 25293 660 1 7 . 1 1 10 10 LEU H H 10 7.791 7.791 7.707 0.084 25293 661 1 7 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.476 0.581 25293 662 1 7 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.592 -2.255 25293 663 1 7 . 1 1 12 12 VAL N N 12 115.299 115.299 116.251 -0.952 25293 664 1 7 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.228 0.373 25293 665 1 7 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.853 -1.752 25293 666 1 7 . 1 1 12 12 VAL H H 12 7.971 7.971 8.037 -0.065 25293 667 1 7 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.455 -0.124 25293 668 1 7 . 1 1 13 13 CYS CA C 13 59.105 59.105 59.886 -0.781 25293 669 1 7 . 1 1 13 13 CYS CB C 13 48.573 48.573 26.980 21.593 25293 670 1 7 . 1 1 13 13 CYS H H 13 8.103 8.103 8.110 -0.007 25293 671 1 7 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.542 0.927 25293 672 1 7 . 1 1 14 14 GLY H H 14 8.433 8.433 8.815 -0.382 25293 673 1 7 . 1 1 15 15 GLU N N 15 115.613 115.613 117.875 -2.262 25293 674 1 7 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.524 0.143 25293 675 1 7 . 1 1 15 15 GLU CB C 15 32.554 32.554 29.628 2.926 25293 676 1 7 . 1 1 15 15 GLU H H 15 7.064 7.064 8.068 -1.004 25293 677 1 7 . 1 1 16 16 THR N N 16 115.298 115.298 113.918 1.380 25293 678 1 7 . 1 1 16 16 THR HA H 16 4.525 4.525 4.195 0.330 25293 679 1 7 . 1 1 16 16 THR CB C 16 70.742 70.742 68.597 2.145 25293 680 1 7 . 1 1 16 16 THR H H 16 8.413 8.413 8.033 0.380 25293 681 1 7 . 1 1 17 17 CYS N N 17 115.927 115.927 124.952 -9.025 25293 682 1 7 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.626 0.435 25293 683 1 7 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.185 5.413 25293 684 1 7 . 1 1 17 17 CYS CB C 17 47.454 47.454 28.823 18.631 25293 685 1 7 . 1 1 17 17 CYS H H 17 8.239 8.239 8.295 -0.056 25293 686 1 7 . 1 1 18 18 THR N N 18 117.192 117.192 115.085 2.107 25293 687 1 7 . 1 1 18 18 THR HA H 18 3.912 3.912 4.797 -0.885 25293 688 1 7 . 1 1 18 18 THR CA C 18 65.404 65.404 62.917 2.487 25293 689 1 7 . 1 1 18 18 THR H H 18 8.277 8.277 8.903 -0.626 25293 690 1 7 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.913 -0.422 25293 691 1 7 . 1 1 19 19 LEU CB C 19 40.963 40.963 41.948 -0.985 25293 692 1 7 . 1 1 19 19 LEU H H 19 8.474 8.474 7.855 0.619 25293 693 1 7 . 1 1 20 20 GLY N N 20 105.833 105.833 108.097 -2.264 25293 694 1 7 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.646 0.313 25293 695 1 7 . 1 1 20 20 GLY H H 20 8.123 8.123 8.424 -0.301 25293 696 1 7 . 1 1 21 21 THR N N 21 111.926 111.926 111.443 0.483 25293 697 1 7 . 1 1 21 21 THR HA H 21 4.653 4.653 4.362 0.291 25293 698 1 7 . 1 1 21 21 THR CB C 21 68.777 68.777 70.017 -1.240 25293 699 1 7 . 1 1 21 21 THR H H 21 7.658 7.658 7.582 0.076 25293 700 1 7 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.598 0.043 25293 701 1 7 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.843 16.914 25293 702 1 7 . 1 1 22 22 CYS H H 22 8.470 8.470 8.852 -0.382 25293 703 1 7 . 1 1 23 23 SER N N 23 122.918 122.918 117.293 5.625 25293 704 1 7 . 1 1 23 23 SER HA H 23 4.423 4.423 4.433 -0.010 25293 705 1 7 . 1 1 23 23 SER CA C 23 59.914 59.914 60.279 -0.365 25293 706 1 7 . 1 1 23 23 SER CB C 23 64.597 64.597 63.977 0.620 25293 707 1 7 . 1 1 23 23 SER H H 23 10.973 10.973 8.665 2.308 25293 708 1 7 . 1 1 24 24 THR N N 24 124.108 124.108 115.375 8.733 25293 709 1 7 . 1 1 24 24 THR HA H 24 3.979 3.979 4.195 -0.216 25293 710 1 7 . 1 1 24 24 THR CA C 24 63.960 63.960 63.050 0.910 25293 711 1 7 . 1 1 24 24 THR CB C 24 68.471 68.471 69.538 -1.067 25293 712 1 7 . 1 1 24 24 THR H H 24 9.476 9.476 8.367 1.109 25293 713 1 7 . 1 1 25 25 GLN N N 25 128.543 128.543 122.234 6.309 25293 714 1 7 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.339 -0.414 25293 715 1 7 . 1 1 25 25 GLN CA C 25 57.951 57.951 55.871 2.080 25293 716 1 7 . 1 1 25 25 GLN CB C 25 28.195 28.195 28.550 -0.355 25293 717 1 7 . 1 1 25 25 GLN H H 25 8.714 8.714 8.507 0.207 25293 718 1 7 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.745 0.505 25293 719 1 7 . 1 1 26 26 GLY H H 26 8.810 8.810 8.505 0.305 25293 720 1 7 . 1 1 27 27 CYS N N 27 117.687 117.687 119.634 -1.947 25293 721 1 7 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.550 0.523 25293 722 1 7 . 1 1 27 27 CYS CB C 27 49.941 49.941 28.179 21.762 25293 723 1 7 . 1 1 27 27 CYS H H 27 7.697 7.697 8.175 -0.478 25293 724 1 7 . 1 1 28 28 THR N N 28 115.298 115.298 115.931 -0.633 25293 725 1 7 . 1 1 28 28 THR HA H 28 4.488 4.488 4.706 -0.218 25293 726 1 7 . 1 1 28 28 THR CA C 28 60.019 60.019 61.444 -1.425 25293 727 1 7 . 1 1 28 28 THR CB C 28 71.515 71.515 71.162 0.353 25293 728 1 7 . 1 1 28 28 THR H H 28 9.354 9.354 8.781 0.573 25293 729 1 8 . 1 1 2 2 TRP N N 2 124.464 124.464 126.942 -2.478 25293 730 1 8 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.692 -0.671 25293 731 1 8 . 1 1 2 2 TRP CA C 2 59.121 59.121 58.373 0.748 25293 732 1 8 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.776 -0.087 25293 733 1 8 . 1 1 2 2 TRP H H 2 8.268 8.268 7.563 0.705 25293 734 1 8 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.296 0.155 25293 735 1 8 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.307 1.908 25293 736 1 8 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.114 -0.364 25293 737 1 8 . 1 1 4 4 ILE N N 4 126.955 126.955 119.178 7.777 25293 738 1 8 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.716 0.470 25293 739 1 8 . 1 1 4 4 ILE CA C 4 60.005 60.005 60.789 -0.784 25293 740 1 8 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.535 -0.126 25293 741 1 8 . 1 1 4 4 ILE H H 4 8.276 8.276 7.502 0.774 25293 742 1 8 . 1 1 5 5 CYS N N 5 124.228 124.228 123.682 0.546 25293 743 1 8 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.539 0.286 25293 744 1 8 . 1 1 5 5 CYS CB C 5 43.781 43.781 29.674 14.107 25293 745 1 8 . 1 1 5 5 CYS H H 5 7.650 7.650 8.346 -0.696 25293 746 1 8 . 1 1 6 6 LYS N N 6 122.395 122.395 122.420 -0.025 25293 747 1 8 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.817 0.121 25293 748 1 8 . 1 1 6 6 LYS H H 6 9.212 9.212 8.123 1.089 25293 749 1 8 . 1 1 7 7 ARG N N 7 122.102 122.102 124.934 -2.832 25293 750 1 8 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.458 0.253 25293 751 1 8 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.692 2.029 25293 752 1 8 . 1 1 7 7 ARG H H 7 8.700 8.700 8.570 0.130 25293 753 1 8 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.745 -0.430 25293 754 1 8 . 1 1 8 8 ASN CA C 8 54.388 54.388 53.155 1.233 25293 755 1 8 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.696 -1.131 25293 756 1 8 . 1 1 8 8 ASN H H 8 7.794 7.794 8.486 -0.692 25293 757 1 8 . 1 1 9 9 GLY N N 9 101.289 101.289 106.081 -4.792 25293 758 1 8 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.338 -0.074 25293 759 1 8 . 1 1 9 9 GLY H H 9 8.652 8.652 8.465 0.187 25293 760 1 8 . 1 1 10 10 LEU N N 10 120.783 120.783 118.885 1.898 25293 761 1 8 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.752 0.303 25293 762 1 8 . 1 1 10 10 LEU CA C 10 51.535 51.535 50.917 0.618 25293 763 1 8 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.121 -1.061 25293 764 1 8 . 1 1 10 10 LEU H H 10 7.791 7.791 7.677 0.114 25293 765 1 8 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.432 0.625 25293 766 1 8 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.303 -1.966 25293 767 1 8 . 1 1 12 12 VAL N N 12 115.299 115.299 117.003 -1.704 25293 768 1 8 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.464 0.137 25293 769 1 8 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.288 -1.187 25293 770 1 8 . 1 1 12 12 VAL H H 12 7.971 7.971 8.034 -0.063 25293 771 1 8 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.690 -0.359 25293 772 1 8 . 1 1 13 13 CYS CA C 13 59.105 59.105 58.575 0.530 25293 773 1 8 . 1 1 13 13 CYS CB C 13 48.573 48.573 29.262 19.311 25293 774 1 8 . 1 1 13 13 CYS H H 13 8.103 8.103 8.092 0.011 25293 775 1 8 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.920 0.549 25293 776 1 8 . 1 1 14 14 GLY H H 14 8.433 8.433 8.762 -0.329 25293 777 1 8 . 1 1 15 15 GLU N N 15 115.613 115.613 117.970 -2.357 25293 778 1 8 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.529 0.138 25293 779 1 8 . 1 1 15 15 GLU CB C 15 32.554 32.554 29.546 3.008 25293 780 1 8 . 1 1 15 15 GLU H H 15 7.064 7.064 8.007 -0.943 25293 781 1 8 . 1 1 16 16 THR N N 16 115.298 115.298 113.945 1.353 25293 782 1 8 . 1 1 16 16 THR HA H 16 4.525 4.525 4.225 0.300 25293 783 1 8 . 1 1 16 16 THR CB C 16 70.742 70.742 68.691 2.051 25293 784 1 8 . 1 1 16 16 THR H H 16 8.413 8.413 8.129 0.284 25293 785 1 8 . 1 1 17 17 CYS N N 17 115.927 115.927 123.929 -8.002 25293 786 1 8 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.684 0.377 25293 787 1 8 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.659 4.939 25293 788 1 8 . 1 1 17 17 CYS CB C 17 47.454 47.454 28.954 18.500 25293 789 1 8 . 1 1 17 17 CYS H H 17 8.239 8.239 8.314 -0.075 25293 790 1 8 . 1 1 18 18 THR N N 18 117.192 117.192 114.971 2.221 25293 791 1 8 . 1 1 18 18 THR HA H 18 3.912 3.912 4.747 -0.835 25293 792 1 8 . 1 1 18 18 THR CA C 18 65.404 65.404 63.450 1.954 25293 793 1 8 . 1 1 18 18 THR H H 18 8.277 8.277 8.915 -0.638 25293 794 1 8 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.912 -0.421 25293 795 1 8 . 1 1 19 19 LEU CB C 19 40.963 40.963 41.769 -0.806 25293 796 1 8 . 1 1 19 19 LEU H H 19 8.474 8.474 7.726 0.748 25293 797 1 8 . 1 1 20 20 GLY N N 20 105.833 105.833 108.010 -2.177 25293 798 1 8 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.761 0.198 25293 799 1 8 . 1 1 20 20 GLY H H 20 8.123 8.123 8.445 -0.322 25293 800 1 8 . 1 1 21 21 THR N N 21 111.926 111.926 111.793 0.133 25293 801 1 8 . 1 1 21 21 THR HA H 21 4.653 4.653 4.395 0.258 25293 802 1 8 . 1 1 21 21 THR CB C 21 68.777 68.777 70.095 -1.318 25293 803 1 8 . 1 1 21 21 THR H H 21 7.658 7.658 7.539 0.119 25293 804 1 8 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.570 0.071 25293 805 1 8 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.595 17.162 25293 806 1 8 . 1 1 22 22 CYS H H 22 8.470 8.470 8.858 -0.388 25293 807 1 8 . 1 1 23 23 SER N N 23 122.918 122.918 118.954 3.964 25293 808 1 8 . 1 1 23 23 SER HA H 23 4.423 4.423 4.313 0.110 25293 809 1 8 . 1 1 23 23 SER CA C 23 59.914 59.914 60.267 -0.353 25293 810 1 8 . 1 1 23 23 SER CB C 23 64.597 64.597 63.605 0.992 25293 811 1 8 . 1 1 23 23 SER H H 23 10.973 10.973 8.612 2.361 25293 812 1 8 . 1 1 24 24 THR N N 24 124.108 124.108 114.842 9.266 25293 813 1 8 . 1 1 24 24 THR HA H 24 3.979 3.979 4.496 -0.517 25293 814 1 8 . 1 1 24 24 THR CA C 24 63.960 63.960 61.292 2.668 25293 815 1 8 . 1 1 24 24 THR CB C 24 68.471 68.471 69.815 -1.344 25293 816 1 8 . 1 1 24 24 THR H H 24 9.476 9.476 8.057 1.419 25293 817 1 8 . 1 1 25 25 GLN N N 25 128.543 128.543 121.954 6.589 25293 818 1 8 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.551 -0.626 25293 819 1 8 . 1 1 25 25 GLN CA C 25 57.951 57.951 56.680 1.271 25293 820 1 8 . 1 1 25 25 GLN CB C 25 28.195 28.195 28.703 -0.508 25293 821 1 8 . 1 1 25 25 GLN H H 25 8.714 8.714 8.564 0.150 25293 822 1 8 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.937 0.312 25293 823 1 8 . 1 1 26 26 GLY H H 26 8.810 8.810 8.385 0.425 25293 824 1 8 . 1 1 27 27 CYS N N 27 117.687 117.687 118.007 -0.320 25293 825 1 8 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.662 0.411 25293 826 1 8 . 1 1 27 27 CYS CB C 27 49.941 49.941 31.061 18.880 25293 827 1 8 . 1 1 27 27 CYS H H 27 7.697 7.697 7.861 -0.164 25293 828 1 8 . 1 1 28 28 THR N N 28 115.298 115.298 118.379 -3.081 25293 829 1 8 . 1 1 28 28 THR HA H 28 4.488 4.488 4.686 -0.198 25293 830 1 8 . 1 1 28 28 THR CA C 28 60.019 60.019 61.296 -1.277 25293 831 1 8 . 1 1 28 28 THR CB C 28 71.515 71.515 70.006 1.509 25293 832 1 8 . 1 1 28 28 THR H H 28 9.354 9.354 8.728 0.626 25293 833 1 9 . 1 1 2 2 TRP N N 2 124.464 124.464 126.858 -2.394 25293 834 1 9 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.666 -0.645 25293 835 1 9 . 1 1 2 2 TRP CA C 2 59.121 59.121 58.076 1.045 25293 836 1 9 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.891 -0.202 25293 837 1 9 . 1 1 2 2 TRP H H 2 8.268 8.268 7.556 0.712 25293 838 1 9 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.282 0.169 25293 839 1 9 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.308 1.907 25293 840 1 9 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.071 -0.321 25293 841 1 9 . 1 1 4 4 ILE N N 4 126.955 126.955 119.243 7.712 25293 842 1 9 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.720 0.466 25293 843 1 9 . 1 1 4 4 ILE CA C 4 60.005 60.005 60.672 -0.667 25293 844 1 9 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.538 -0.129 25293 845 1 9 . 1 1 4 4 ILE H H 4 8.276 8.276 7.529 0.747 25293 846 1 9 . 1 1 5 5 CYS N N 5 124.228 124.228 123.850 0.378 25293 847 1 9 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.528 0.297 25293 848 1 9 . 1 1 5 5 CYS CB C 5 43.781 43.781 29.768 14.013 25293 849 1 9 . 1 1 5 5 CYS H H 5 7.650 7.650 8.377 -0.727 25293 850 1 9 . 1 1 6 6 LYS N N 6 122.395 122.395 122.523 -0.128 25293 851 1 9 . 1 1 6 6 LYS HA H 6 4.938 4.938 5.034 -0.096 25293 852 1 9 . 1 1 6 6 LYS H H 6 9.212 9.212 8.162 1.050 25293 853 1 9 . 1 1 7 7 ARG N N 7 122.102 122.102 125.390 -3.288 25293 854 1 9 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.285 0.426 25293 855 1 9 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.803 1.918 25293 856 1 9 . 1 1 7 7 ARG H H 7 8.700 8.700 8.576 0.124 25293 857 1 9 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.825 -0.510 25293 858 1 9 . 1 1 8 8 ASN CA C 8 54.388 54.388 52.950 1.438 25293 859 1 9 . 1 1 8 8 ASN CB C 8 37.565 37.565 39.188 -1.623 25293 860 1 9 . 1 1 8 8 ASN H H 8 7.794 7.794 8.373 -0.579 25293 861 1 9 . 1 1 9 9 GLY N N 9 101.289 101.289 106.585 -5.296 25293 862 1 9 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.279 -0.015 25293 863 1 9 . 1 1 9 9 GLY H H 9 8.652 8.652 8.499 0.153 25293 864 1 9 . 1 1 10 10 LEU N N 10 120.783 120.783 118.636 2.147 25293 865 1 9 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.712 0.343 25293 866 1 9 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.022 0.513 25293 867 1 9 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.282 -1.222 25293 868 1 9 . 1 1 10 10 LEU H H 10 7.791 7.791 7.652 0.139 25293 869 1 9 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.458 0.599 25293 870 1 9 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.672 -2.335 25293 871 1 9 . 1 1 12 12 VAL N N 12 115.299 115.299 116.574 -1.275 25293 872 1 9 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.384 0.217 25293 873 1 9 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.501 -1.400 25293 874 1 9 . 1 1 12 12 VAL H H 12 7.971 7.971 8.295 -0.324 25293 875 1 9 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.696 -0.365 25293 876 1 9 . 1 1 13 13 CYS CA C 13 59.105 59.105 58.804 0.301 25293 877 1 9 . 1 1 13 13 CYS CB C 13 48.573 48.573 29.214 19.359 25293 878 1 9 . 1 1 13 13 CYS H H 13 8.103 8.103 8.071 0.032 25293 879 1 9 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.848 0.621 25293 880 1 9 . 1 1 14 14 GLY H H 14 8.433 8.433 8.734 -0.301 25293 881 1 9 . 1 1 15 15 GLU N N 15 115.613 115.613 117.966 -2.353 25293 882 1 9 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.509 0.158 25293 883 1 9 . 1 1 15 15 GLU CB C 15 32.554 32.554 30.180 2.374 25293 884 1 9 . 1 1 15 15 GLU H H 15 7.064 7.064 8.041 -0.977 25293 885 1 9 . 1 1 16 16 THR N N 16 115.298 115.298 114.209 1.089 25293 886 1 9 . 1 1 16 16 THR HA H 16 4.525 4.525 4.195 0.330 25293 887 1 9 . 1 1 16 16 THR CB C 16 70.742 70.742 68.362 2.380 25293 888 1 9 . 1 1 16 16 THR H H 16 8.413 8.413 8.001 0.412 25293 889 1 9 . 1 1 17 17 CYS N N 17 115.927 115.927 124.708 -8.781 25293 890 1 9 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.701 0.360 25293 891 1 9 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.471 5.128 25293 892 1 9 . 1 1 17 17 CYS CB C 17 47.454 47.454 29.010 18.444 25293 893 1 9 . 1 1 17 17 CYS H H 17 8.239 8.239 8.242 -0.003 25293 894 1 9 . 1 1 18 18 THR N N 18 117.192 117.192 115.490 1.702 25293 895 1 9 . 1 1 18 18 THR HA H 18 3.912 3.912 4.773 -0.861 25293 896 1 9 . 1 1 18 18 THR CA C 18 65.404 65.404 63.313 2.091 25293 897 1 9 . 1 1 18 18 THR H H 18 8.277 8.277 8.824 -0.547 25293 898 1 9 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.902 -0.411 25293 899 1 9 . 1 1 19 19 LEU CB C 19 40.963 40.963 41.852 -0.889 25293 900 1 9 . 1 1 19 19 LEU H H 19 8.474 8.474 7.680 0.794 25293 901 1 9 . 1 1 20 20 GLY N N 20 105.833 105.833 108.105 -2.272 25293 902 1 9 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.785 0.174 25293 903 1 9 . 1 1 20 20 GLY H H 20 8.123 8.123 8.464 -0.341 25293 904 1 9 . 1 1 21 21 THR N N 21 111.926 111.926 111.896 0.030 25293 905 1 9 . 1 1 21 21 THR HA H 21 4.653 4.653 4.397 0.256 25293 906 1 9 . 1 1 21 21 THR CB C 21 68.777 68.777 70.103 -1.326 25293 907 1 9 . 1 1 21 21 THR H H 21 7.658 7.658 7.565 0.093 25293 908 1 9 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.524 0.117 25293 909 1 9 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.548 17.209 25293 910 1 9 . 1 1 22 22 CYS H H 22 8.470 8.470 8.891 -0.421 25293 911 1 9 . 1 1 23 23 SER N N 23 122.918 122.918 119.270 3.648 25293 912 1 9 . 1 1 23 23 SER HA H 23 4.423 4.423 4.338 0.085 25293 913 1 9 . 1 1 23 23 SER CA C 23 59.914 59.914 60.284 -0.370 25293 914 1 9 . 1 1 23 23 SER CB C 23 64.597 64.597 63.658 0.939 25293 915 1 9 . 1 1 23 23 SER H H 23 10.973 10.973 8.661 2.312 25293 916 1 9 . 1 1 24 24 THR N N 24 124.108 124.108 115.480 8.628 25293 917 1 9 . 1 1 24 24 THR HA H 24 3.979 3.979 4.351 -0.372 25293 918 1 9 . 1 1 24 24 THR CA C 24 63.960 63.960 61.938 2.022 25293 919 1 9 . 1 1 24 24 THR CB C 24 68.471 68.471 69.689 -1.218 25293 920 1 9 . 1 1 24 24 THR H H 24 9.476 9.476 8.256 1.220 25293 921 1 9 . 1 1 25 25 GLN N N 25 128.543 128.543 122.587 5.956 25293 922 1 9 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.450 -0.525 25293 923 1 9 . 1 1 25 25 GLN CA C 25 57.951 57.951 55.935 2.016 25293 924 1 9 . 1 1 25 25 GLN CB C 25 28.195 28.195 27.743 0.452 25293 925 1 9 . 1 1 25 25 GLN H H 25 8.714 8.714 8.642 0.072 25293 926 1 9 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.995 0.254 25293 927 1 9 . 1 1 26 26 GLY H H 26 8.810 8.810 8.280 0.530 25293 928 1 9 . 1 1 27 27 CYS N N 27 117.687 117.687 121.704 -4.017 25293 929 1 9 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.425 0.648 25293 930 1 9 . 1 1 27 27 CYS CB C 27 49.941 49.941 27.360 22.581 25293 931 1 9 . 1 1 27 27 CYS H H 27 7.697 7.697 8.159 -0.462 25293 932 1 9 . 1 1 28 28 THR N N 28 115.298 115.298 119.369 -4.071 25293 933 1 9 . 1 1 28 28 THR HA H 28 4.488 4.488 4.619 -0.131 25293 934 1 9 . 1 1 28 28 THR CA C 28 60.019 60.019 61.343 -1.324 25293 935 1 9 . 1 1 28 28 THR CB C 28 71.515 71.515 69.871 1.644 25293 936 1 9 . 1 1 28 28 THR H H 28 9.354 9.354 8.602 0.752 25293 937 1 10 . 1 1 2 2 TRP N N 2 124.464 124.464 126.491 -2.027 25293 938 1 10 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.660 -0.639 25293 939 1 10 . 1 1 2 2 TRP CA C 2 59.121 59.121 57.952 1.169 25293 940 1 10 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.884 -0.195 25293 941 1 10 . 1 1 2 2 TRP H H 2 8.268 8.268 7.512 0.756 25293 942 1 10 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.269 0.182 25293 943 1 10 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.286 1.929 25293 944 1 10 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.070 -0.320 25293 945 1 10 . 1 1 4 4 ILE N N 4 126.955 126.955 119.100 7.855 25293 946 1 10 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.718 0.468 25293 947 1 10 . 1 1 4 4 ILE CA C 4 60.005 60.005 60.826 -0.821 25293 948 1 10 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.551 -0.142 25293 949 1 10 . 1 1 4 4 ILE H H 4 8.276 8.276 7.563 0.713 25293 950 1 10 . 1 1 5 5 CYS N N 5 124.228 124.228 122.923 1.305 25293 951 1 10 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.741 0.084 25293 952 1 10 . 1 1 5 5 CYS CB C 5 43.781 43.781 30.407 13.374 25293 953 1 10 . 1 1 5 5 CYS H H 5 7.650 7.650 8.265 -0.615 25293 954 1 10 . 1 1 6 6 LYS N N 6 122.395 122.395 121.194 1.201 25293 955 1 10 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.987 -0.049 25293 956 1 10 . 1 1 6 6 LYS H H 6 9.212 9.212 8.845 0.367 25293 957 1 10 . 1 1 7 7 ARG N N 7 122.102 122.102 126.274 -4.172 25293 958 1 10 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.250 0.461 25293 959 1 10 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.748 1.973 25293 960 1 10 . 1 1 7 7 ARG H H 7 8.700 8.700 8.532 0.168 25293 961 1 10 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.801 -0.486 25293 962 1 10 . 1 1 8 8 ASN CA C 8 54.388 54.388 52.785 1.603 25293 963 1 10 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.563 -0.998 25293 964 1 10 . 1 1 8 8 ASN H H 8 7.794 7.794 8.316 -0.522 25293 965 1 10 . 1 1 9 9 GLY N N 9 101.289 101.289 106.972 -5.683 25293 966 1 10 . 1 1 9 9 GLY CA C 9 45.264 45.264 44.960 0.304 25293 967 1 10 . 1 1 9 9 GLY H H 9 8.652 8.652 8.492 0.160 25293 968 1 10 . 1 1 10 10 LEU N N 10 120.783 120.783 118.104 2.679 25293 969 1 10 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.689 0.366 25293 970 1 10 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.384 0.151 25293 971 1 10 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.452 -1.392 25293 972 1 10 . 1 1 10 10 LEU H H 10 7.791 7.791 7.709 0.082 25293 973 1 10 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.447 0.610 25293 974 1 10 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.545 -2.208 25293 975 1 10 . 1 1 12 12 VAL N N 12 115.299 115.299 116.431 -1.132 25293 976 1 10 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.356 0.245 25293 977 1 10 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.405 -1.304 25293 978 1 10 . 1 1 12 12 VAL H H 12 7.971 7.971 8.332 -0.361 25293 979 1 10 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.691 -0.360 25293 980 1 10 . 1 1 13 13 CYS CA C 13 59.105 59.105 58.691 0.414 25293 981 1 10 . 1 1 13 13 CYS CB C 13 48.573 48.573 29.154 19.419 25293 982 1 10 . 1 1 13 13 CYS H H 13 8.103 8.103 7.914 0.189 25293 983 1 10 . 1 1 14 14 GLY CA C 14 46.469 46.469 46.049 0.420 25293 984 1 10 . 1 1 14 14 GLY H H 14 8.433 8.433 8.737 -0.304 25293 985 1 10 . 1 1 15 15 GLU N N 15 115.613 115.613 117.687 -2.074 25293 986 1 10 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.471 0.196 25293 987 1 10 . 1 1 15 15 GLU CB C 15 32.554 32.554 30.061 2.493 25293 988 1 10 . 1 1 15 15 GLU H H 15 7.064 7.064 8.156 -1.092 25293 989 1 10 . 1 1 16 16 THR N N 16 115.298 115.298 113.893 1.405 25293 990 1 10 . 1 1 16 16 THR HA H 16 4.525 4.525 4.178 0.347 25293 991 1 10 . 1 1 16 16 THR CB C 16 70.742 70.742 68.512 2.230 25293 992 1 10 . 1 1 16 16 THR H H 16 8.413 8.413 7.968 0.445 25293 993 1 10 . 1 1 17 17 CYS N N 17 115.927 115.927 124.999 -9.072 25293 994 1 10 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.681 0.380 25293 995 1 10 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.014 5.584 25293 996 1 10 . 1 1 17 17 CYS CB C 17 47.454 47.454 28.952 18.502 25293 997 1 10 . 1 1 17 17 CYS H H 17 8.239 8.239 8.175 0.064 25293 998 1 10 . 1 1 18 18 THR N N 18 117.192 117.192 115.507 1.685 25293 999 1 10 . 1 1 18 18 THR HA H 18 3.912 3.912 4.808 -0.896 25293 1000 1 10 . 1 1 18 18 THR CA C 18 65.404 65.404 62.648 2.756 25293 1001 1 10 . 1 1 18 18 THR H H 18 8.277 8.277 8.701 -0.424 25293 1002 1 10 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.876 -0.385 25293 1003 1 10 . 1 1 19 19 LEU CB C 19 40.963 40.963 42.000 -1.037 25293 1004 1 10 . 1 1 19 19 LEU H H 19 8.474 8.474 7.877 0.597 25293 1005 1 10 . 1 1 20 20 GLY N N 20 105.833 105.833 108.210 -2.377 25293 1006 1 10 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.690 0.269 25293 1007 1 10 . 1 1 20 20 GLY H H 20 8.123 8.123 8.363 -0.240 25293 1008 1 10 . 1 1 21 21 THR N N 21 111.926 111.926 112.414 -0.488 25293 1009 1 10 . 1 1 21 21 THR HA H 21 4.653 4.653 4.379 0.274 25293 1010 1 10 . 1 1 21 21 THR CB C 21 68.777 68.777 70.093 -1.316 25293 1011 1 10 . 1 1 21 21 THR H H 21 7.658 7.658 7.569 0.089 25293 1012 1 10 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.566 0.075 25293 1013 1 10 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.922 16.835 25293 1014 1 10 . 1 1 22 22 CYS H H 22 8.470 8.470 8.789 -0.319 25293 1015 1 10 . 1 1 23 23 SER N N 23 122.918 122.918 116.614 6.304 25293 1016 1 10 . 1 1 23 23 SER HA H 23 4.423 4.423 4.421 0.002 25293 1017 1 10 . 1 1 23 23 SER CA C 23 59.914 59.914 59.865 0.049 25293 1018 1 10 . 1 1 23 23 SER CB C 23 64.597 64.597 63.607 0.990 25293 1019 1 10 . 1 1 23 23 SER H H 23 10.973 10.973 8.659 2.314 25293 1020 1 10 . 1 1 24 24 THR N N 24 124.108 124.108 116.026 8.082 25293 1021 1 10 . 1 1 24 24 THR HA H 24 3.979 3.979 4.209 -0.230 25293 1022 1 10 . 1 1 24 24 THR CA C 24 63.960 63.960 62.842 1.118 25293 1023 1 10 . 1 1 24 24 THR CB C 24 68.471 68.471 69.788 -1.317 25293 1024 1 10 . 1 1 24 24 THR H H 24 9.476 9.476 8.284 1.192 25293 1025 1 10 . 1 1 25 25 GLN N N 25 128.543 128.543 123.382 5.161 25293 1026 1 10 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.320 -0.395 25293 1027 1 10 . 1 1 25 25 GLN CA C 25 57.951 57.951 55.501 2.450 25293 1028 1 10 . 1 1 25 25 GLN CB C 25 28.195 28.195 27.521 0.674 25293 1029 1 10 . 1 1 25 25 GLN H H 25 8.714 8.714 8.588 0.126 25293 1030 1 10 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.870 0.379 25293 1031 1 10 . 1 1 26 26 GLY H H 26 8.810 8.810 8.253 0.557 25293 1032 1 10 . 1 1 27 27 CYS N N 27 117.687 117.687 120.912 -3.225 25293 1033 1 10 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.401 0.672 25293 1034 1 10 . 1 1 27 27 CYS CB C 27 49.941 49.941 26.894 23.047 25293 1035 1 10 . 1 1 27 27 CYS H H 27 7.697 7.697 8.273 -0.576 25293 1036 1 10 . 1 1 28 28 THR N N 28 115.298 115.298 115.947 -0.649 25293 1037 1 10 . 1 1 28 28 THR HA H 28 4.488 4.488 4.694 -0.206 25293 1038 1 10 . 1 1 28 28 THR CA C 28 60.019 60.019 61.583 -1.564 25293 1039 1 10 . 1 1 28 28 THR CB C 28 71.515 71.515 71.160 0.355 25293 1040 1 10 . 1 1 28 28 THR H H 28 9.354 9.354 8.689 0.665 25293 1041 1 11 . 1 1 2 2 TRP N N 2 124.464 124.464 126.749 -2.285 25293 1042 1 11 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.684 -0.663 25293 1043 1 11 . 1 1 2 2 TRP CA C 2 59.121 59.121 58.387 0.734 25293 1044 1 11 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.770 -0.081 25293 1045 1 11 . 1 1 2 2 TRP H H 2 8.268 8.268 7.571 0.697 25293 1046 1 11 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.273 0.178 25293 1047 1 11 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.297 1.918 25293 1048 1 11 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.052 -0.302 25293 1049 1 11 . 1 1 4 4 ILE N N 4 126.955 126.955 119.164 7.791 25293 1050 1 11 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.734 0.452 25293 1051 1 11 . 1 1 4 4 ILE CA C 4 60.005 60.005 61.391 -1.386 25293 1052 1 11 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.255 0.153 25293 1053 1 11 . 1 1 4 4 ILE H H 4 8.276 8.276 7.422 0.854 25293 1054 1 11 . 1 1 5 5 CYS N N 5 124.228 124.228 123.683 0.545 25293 1055 1 11 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.600 0.225 25293 1056 1 11 . 1 1 5 5 CYS CB C 5 43.781 43.781 29.521 14.260 25293 1057 1 11 . 1 1 5 5 CYS H H 5 7.650 7.650 8.135 -0.485 25293 1058 1 11 . 1 1 6 6 LYS N N 6 122.395 122.395 121.591 0.804 25293 1059 1 11 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.988 -0.050 25293 1060 1 11 . 1 1 6 6 LYS H H 6 9.212 9.212 7.985 1.227 25293 1061 1 11 . 1 1 7 7 ARG N N 7 122.102 122.102 124.208 -2.106 25293 1062 1 11 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.076 0.635 25293 1063 1 11 . 1 1 7 7 ARG CB C 7 32.721 32.721 31.098 1.623 25293 1064 1 11 . 1 1 7 7 ARG H H 7 8.700 8.700 8.057 0.643 25293 1065 1 11 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.740 -0.425 25293 1066 1 11 . 1 1 8 8 ASN CA C 8 54.388 54.388 52.892 1.496 25293 1067 1 11 . 1 1 8 8 ASN CB C 8 37.565 37.565 37.777 -0.212 25293 1068 1 11 . 1 1 8 8 ASN H H 8 7.794 7.794 8.149 -0.355 25293 1069 1 11 . 1 1 9 9 GLY N N 9 101.289 101.289 106.557 -5.268 25293 1070 1 11 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.099 0.165 25293 1071 1 11 . 1 1 9 9 GLY H H 9 8.652 8.652 8.454 0.198 25293 1072 1 11 . 1 1 10 10 LEU N N 10 120.783 120.783 118.475 2.308 25293 1073 1 11 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.695 0.360 25293 1074 1 11 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.276 0.259 25293 1075 1 11 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.498 -1.438 25293 1076 1 11 . 1 1 10 10 LEU H H 10 7.791 7.791 7.700 0.091 25293 1077 1 11 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.488 0.569 25293 1078 1 11 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.714 -2.377 25293 1079 1 11 . 1 1 12 12 VAL N N 12 115.299 115.299 117.830 -2.531 25293 1080 1 11 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.224 0.377 25293 1081 1 11 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.549 -1.448 25293 1082 1 11 . 1 1 12 12 VAL H H 12 7.971 7.971 8.084 -0.113 25293 1083 1 11 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.501 -0.170 25293 1084 1 11 . 1 1 13 13 CYS CA C 13 59.105 59.105 59.227 -0.122 25293 1085 1 11 . 1 1 13 13 CYS CB C 13 48.573 48.573 26.923 21.650 25293 1086 1 11 . 1 1 13 13 CYS H H 13 8.103 8.103 7.979 0.124 25293 1087 1 11 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.967 0.502 25293 1088 1 11 . 1 1 14 14 GLY H H 14 8.433 8.433 8.611 -0.178 25293 1089 1 11 . 1 1 15 15 GLU N N 15 115.613 115.613 116.552 -0.939 25293 1090 1 11 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.628 0.039 25293 1091 1 11 . 1 1 15 15 GLU CB C 15 32.554 32.554 32.912 -0.358 25293 1092 1 11 . 1 1 15 15 GLU H H 15 7.064 7.064 7.862 -0.798 25293 1093 1 11 . 1 1 16 16 THR N N 16 115.298 115.298 112.370 2.928 25293 1094 1 11 . 1 1 16 16 THR HA H 16 4.525 4.525 4.780 -0.255 25293 1095 1 11 . 1 1 16 16 THR CB C 16 70.742 70.742 69.747 0.995 25293 1096 1 11 . 1 1 16 16 THR H H 16 8.413 8.413 8.061 0.352 25293 1097 1 11 . 1 1 17 17 CYS N N 17 115.927 115.927 123.983 -8.056 25293 1098 1 11 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.755 0.306 25293 1099 1 11 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.184 5.414 25293 1100 1 11 . 1 1 17 17 CYS CB C 17 47.454 47.454 29.103 18.351 25293 1101 1 11 . 1 1 17 17 CYS H H 17 8.239 8.239 8.442 -0.203 25293 1102 1 11 . 1 1 18 18 THR N N 18 117.192 117.192 116.066 1.126 25293 1103 1 11 . 1 1 18 18 THR HA H 18 3.912 3.912 4.800 -0.888 25293 1104 1 11 . 1 1 18 18 THR CA C 18 65.404 65.404 63.132 2.272 25293 1105 1 11 . 1 1 18 18 THR H H 18 8.277 8.277 8.779 -0.502 25293 1106 1 11 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.865 -0.374 25293 1107 1 11 . 1 1 19 19 LEU CB C 19 40.963 40.963 42.190 -1.226 25293 1108 1 11 . 1 1 19 19 LEU H H 19 8.474 8.474 7.841 0.633 25293 1109 1 11 . 1 1 20 20 GLY N N 20 105.833 105.833 108.013 -2.180 25293 1110 1 11 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.622 0.337 25293 1111 1 11 . 1 1 20 20 GLY H H 20 8.123 8.123 8.339 -0.216 25293 1112 1 11 . 1 1 21 21 THR N N 21 111.926 111.926 111.630 0.296 25293 1113 1 11 . 1 1 21 21 THR HA H 21 4.653 4.653 4.397 0.256 25293 1114 1 11 . 1 1 21 21 THR CB C 21 68.777 68.777 70.121 -1.344 25293 1115 1 11 . 1 1 21 21 THR H H 21 7.658 7.658 7.609 0.049 25293 1116 1 11 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.642 -0.001 25293 1117 1 11 . 1 1 22 22 CYS CB C 22 44.757 44.757 28.461 16.296 25293 1118 1 11 . 1 1 22 22 CYS H H 22 8.470 8.470 8.700 -0.230 25293 1119 1 11 . 1 1 23 23 SER N N 23 122.918 122.918 118.530 4.388 25293 1120 1 11 . 1 1 23 23 SER HA H 23 4.423 4.423 4.310 0.113 25293 1121 1 11 . 1 1 23 23 SER CA C 23 59.914 59.914 60.108 -0.194 25293 1122 1 11 . 1 1 23 23 SER CB C 23 64.597 64.597 63.410 1.187 25293 1123 1 11 . 1 1 23 23 SER H H 23 10.973 10.973 8.837 2.136 25293 1124 1 11 . 1 1 24 24 THR N N 24 124.108 124.108 115.528 8.580 25293 1125 1 11 . 1 1 24 24 THR HA H 24 3.979 3.979 4.299 -0.320 25293 1126 1 11 . 1 1 24 24 THR CA C 24 63.960 63.960 61.975 1.985 25293 1127 1 11 . 1 1 24 24 THR CB C 24 68.471 68.471 69.846 -1.375 25293 1128 1 11 . 1 1 24 24 THR H H 24 9.476 9.476 7.660 1.816 25293 1129 1 11 . 1 1 25 25 GLN N N 25 128.543 128.543 122.314 6.229 25293 1130 1 11 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.389 -0.464 25293 1131 1 11 . 1 1 25 25 GLN CA C 25 57.951 57.951 56.005 1.946 25293 1132 1 11 . 1 1 25 25 GLN CB C 25 28.195 28.195 28.711 -0.516 25293 1133 1 11 . 1 1 25 25 GLN H H 25 8.714 8.714 8.537 0.177 25293 1134 1 11 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.777 0.472 25293 1135 1 11 . 1 1 26 26 GLY H H 26 8.810 8.810 8.592 0.218 25293 1136 1 11 . 1 1 27 27 CYS N N 27 117.687 117.687 119.534 -1.847 25293 1137 1 11 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.505 0.568 25293 1138 1 11 . 1 1 27 27 CYS CB C 27 49.941 49.941 28.951 20.991 25293 1139 1 11 . 1 1 27 27 CYS H H 27 7.697 7.697 8.026 -0.329 25293 1140 1 11 . 1 1 28 28 THR N N 28 115.298 115.298 116.376 -1.078 25293 1141 1 11 . 1 1 28 28 THR HA H 28 4.488 4.488 4.567 -0.079 25293 1142 1 11 . 1 1 28 28 THR CA C 28 60.019 60.019 61.712 -1.694 25293 1143 1 11 . 1 1 28 28 THR CB C 28 71.515 71.515 69.970 1.545 25293 1144 1 11 . 1 1 28 28 THR H H 28 9.354 9.354 8.458 0.896 25293 1145 1 12 . 1 1 2 2 TRP N N 2 124.464 124.464 125.964 -1.500 25293 1146 1 12 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.640 -0.619 25293 1147 1 12 . 1 1 2 2 TRP CA C 2 59.121 59.121 57.965 1.155 25293 1148 1 12 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.867 -0.178 25293 1149 1 12 . 1 1 2 2 TRP H H 2 8.268 8.268 7.481 0.787 25293 1150 1 12 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.253 0.198 25293 1151 1 12 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.280 1.935 25293 1152 1 12 . 1 1 3 3 PRO CB C 3 31.750 31.750 31.971 -0.221 25293 1153 1 12 . 1 1 4 4 ILE N N 4 126.955 126.955 119.018 7.937 25293 1154 1 12 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.736 0.450 25293 1155 1 12 . 1 1 4 4 ILE CA C 4 60.005 60.005 60.691 -0.686 25293 1156 1 12 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.552 -0.143 25293 1157 1 12 . 1 1 4 4 ILE H H 4 8.276 8.276 7.644 0.632 25293 1158 1 12 . 1 1 5 5 CYS N N 5 124.228 124.228 123.292 0.936 25293 1159 1 12 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.711 0.114 25293 1160 1 12 . 1 1 5 5 CYS CB C 5 43.781 43.781 30.222 13.559 25293 1161 1 12 . 1 1 5 5 CYS H H 5 7.650 7.650 8.276 -0.626 25293 1162 1 12 . 1 1 6 6 LYS N N 6 122.395 122.395 122.154 0.241 25293 1163 1 12 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.983 -0.045 25293 1164 1 12 . 1 1 6 6 LYS H H 6 9.212 9.212 8.847 0.365 25293 1165 1 12 . 1 1 7 7 ARG N N 7 122.102 122.102 125.569 -3.467 25293 1166 1 12 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.293 0.418 25293 1167 1 12 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.806 1.915 25293 1168 1 12 . 1 1 7 7 ARG H H 7 8.700 8.700 8.611 0.089 25293 1169 1 12 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.804 -0.489 25293 1170 1 12 . 1 1 8 8 ASN CA C 8 54.388 54.388 53.011 1.377 25293 1171 1 12 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.605 -1.040 25293 1172 1 12 . 1 1 8 8 ASN H H 8 7.794 7.794 8.453 -0.659 25293 1173 1 12 . 1 1 9 9 GLY N N 9 101.289 101.289 106.527 -5.238 25293 1174 1 12 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.367 -0.103 25293 1175 1 12 . 1 1 9 9 GLY H H 9 8.652 8.652 8.490 0.162 25293 1176 1 12 . 1 1 10 10 LEU N N 10 120.783 120.783 118.549 2.234 25293 1177 1 12 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.731 0.324 25293 1178 1 12 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.012 0.523 25293 1179 1 12 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.296 -1.236 25293 1180 1 12 . 1 1 10 10 LEU H H 10 7.791 7.791 7.673 0.118 25293 1181 1 12 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.458 0.599 25293 1182 1 12 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.858 -2.521 25293 1183 1 12 . 1 1 12 12 VAL N N 12 115.299 115.299 117.528 -2.229 25293 1184 1 12 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.416 0.185 25293 1185 1 12 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.410 -1.309 25293 1186 1 12 . 1 1 12 12 VAL H H 12 7.971 7.971 7.982 -0.011 25293 1187 1 12 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.699 -0.368 25293 1188 1 12 . 1 1 13 13 CYS CA C 13 59.105 59.105 58.525 0.580 25293 1189 1 12 . 1 1 13 13 CYS CB C 13 48.573 48.573 28.943 19.630 25293 1190 1 12 . 1 1 13 13 CYS H H 13 8.103 8.103 8.086 0.017 25293 1191 1 12 . 1 1 14 14 GLY CA C 14 46.469 46.469 46.155 0.314 25293 1192 1 12 . 1 1 14 14 GLY H H 14 8.433 8.433 8.718 -0.285 25293 1193 1 12 . 1 1 15 15 GLU N N 15 115.613 115.613 118.122 -2.509 25293 1194 1 12 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.552 0.115 25293 1195 1 12 . 1 1 15 15 GLU CB C 15 32.554 32.554 29.752 2.802 25293 1196 1 12 . 1 1 15 15 GLU H H 15 7.064 7.064 8.202 -1.138 25293 1197 1 12 . 1 1 16 16 THR N N 16 115.298 115.298 114.015 1.283 25293 1198 1 12 . 1 1 16 16 THR HA H 16 4.525 4.525 4.182 0.343 25293 1199 1 12 . 1 1 16 16 THR CB C 16 70.742 70.742 68.795 1.947 25293 1200 1 12 . 1 1 16 16 THR H H 16 8.413 8.413 7.972 0.441 25293 1201 1 12 . 1 1 17 17 CYS N N 17 115.927 115.927 123.947 -8.020 25293 1202 1 12 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.827 0.234 25293 1203 1 12 . 1 1 17 17 CYS CA C 17 62.598 62.598 56.832 5.766 25293 1204 1 12 . 1 1 17 17 CYS CB C 17 47.454 47.454 30.066 17.388 25293 1205 1 12 . 1 1 17 17 CYS H H 17 8.239 8.239 8.628 -0.389 25293 1206 1 12 . 1 1 18 18 THR N N 18 117.192 117.192 115.184 2.008 25293 1207 1 12 . 1 1 18 18 THR HA H 18 3.912 3.912 4.758 -0.846 25293 1208 1 12 . 1 1 18 18 THR CA C 18 65.404 65.404 64.235 1.169 25293 1209 1 12 . 1 1 18 18 THR H H 18 8.277 8.277 8.914 -0.637 25293 1210 1 12 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.771 -0.280 25293 1211 1 12 . 1 1 19 19 LEU CB C 19 40.963 40.963 42.133 -1.170 25293 1212 1 12 . 1 1 19 19 LEU H H 19 8.474 8.474 7.689 0.785 25293 1213 1 12 . 1 1 20 20 GLY N N 20 105.833 105.833 107.540 -1.707 25293 1214 1 12 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.060 0.899 25293 1215 1 12 . 1 1 20 20 GLY H H 20 8.123 8.123 8.248 -0.125 25293 1216 1 12 . 1 1 21 21 THR N N 21 111.926 111.926 111.651 0.275 25293 1217 1 12 . 1 1 21 21 THR HA H 21 4.653 4.653 4.375 0.278 25293 1218 1 12 . 1 1 21 21 THR CB C 21 68.777 68.777 69.814 -1.037 25293 1219 1 12 . 1 1 21 21 THR H H 21 7.658 7.658 7.564 0.094 25293 1220 1 12 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.417 0.224 25293 1221 1 12 . 1 1 22 22 CYS CB C 22 44.757 44.757 28.171 16.587 25293 1222 1 12 . 1 1 22 22 CYS H H 22 8.470 8.470 8.550 -0.080 25293 1223 1 12 . 1 1 23 23 SER N N 23 122.918 122.918 115.467 7.451 25293 1224 1 12 . 1 1 23 23 SER HA H 23 4.423 4.423 4.702 -0.279 25293 1225 1 12 . 1 1 23 23 SER CA C 23 59.914 59.914 58.494 1.420 25293 1226 1 12 . 1 1 23 23 SER CB C 23 64.597 64.597 63.431 1.166 25293 1227 1 12 . 1 1 23 23 SER H H 23 10.973 10.973 8.892 2.081 25293 1228 1 12 . 1 1 24 24 THR N N 24 124.108 124.108 115.098 9.010 25293 1229 1 12 . 1 1 24 24 THR HA H 24 3.979 3.979 4.394 -0.415 25293 1230 1 12 . 1 1 24 24 THR CA C 24 63.960 63.960 62.067 1.893 25293 1231 1 12 . 1 1 24 24 THR CB C 24 68.471 68.471 69.211 -0.740 25293 1232 1 12 . 1 1 24 24 THR H H 24 9.476 9.476 8.016 1.460 25293 1233 1 12 . 1 1 25 25 GLN N N 25 128.543 128.543 118.964 9.579 25293 1234 1 12 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.063 -0.138 25293 1235 1 12 . 1 1 25 25 GLN CA C 25 57.951 57.951 56.451 1.500 25293 1236 1 12 . 1 1 25 25 GLN CB C 25 28.195 28.195 28.296 -0.101 25293 1237 1 12 . 1 1 25 25 GLN H H 25 8.714 8.714 8.143 0.571 25293 1238 1 12 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.804 0.445 25293 1239 1 12 . 1 1 26 26 GLY H H 26 8.810 8.810 8.398 0.412 25293 1240 1 12 . 1 1 27 27 CYS N N 27 117.687 117.687 120.480 -2.793 25293 1241 1 12 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.493 0.580 25293 1242 1 12 . 1 1 27 27 CYS CB C 27 49.941 49.941 27.691 22.250 25293 1243 1 12 . 1 1 27 27 CYS H H 27 7.697 7.697 8.200 -0.503 25293 1244 1 12 . 1 1 28 28 THR N N 28 115.298 115.298 117.812 -2.514 25293 1245 1 12 . 1 1 28 28 THR HA H 28 4.488 4.488 4.670 -0.182 25293 1246 1 12 . 1 1 28 28 THR CA C 28 60.019 60.019 61.290 -1.271 25293 1247 1 12 . 1 1 28 28 THR CB C 28 71.515 71.515 71.160 0.355 25293 1248 1 12 . 1 1 28 28 THR H H 28 9.354 9.354 8.849 0.505 25293 1249 1 13 . 1 1 2 2 TRP N N 2 124.464 124.464 126.890 -2.426 25293 1250 1 13 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.683 -0.662 25293 1251 1 13 . 1 1 2 2 TRP CA C 2 59.121 59.121 58.316 0.805 25293 1252 1 13 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.827 -0.138 25293 1253 1 13 . 1 1 2 2 TRP H H 2 8.268 8.268 7.584 0.684 25293 1254 1 13 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.274 0.177 25293 1255 1 13 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.304 1.911 25293 1256 1 13 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.057 -0.307 25293 1257 1 13 . 1 1 4 4 ILE N N 4 126.955 126.955 119.179 7.776 25293 1258 1 13 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.736 0.450 25293 1259 1 13 . 1 1 4 4 ILE CA C 4 60.005 60.005 61.372 -1.367 25293 1260 1 13 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.236 0.173 25293 1261 1 13 . 1 1 4 4 ILE H H 4 8.276 8.276 7.419 0.857 25293 1262 1 13 . 1 1 5 5 CYS N N 5 124.228 124.228 123.638 0.590 25293 1263 1 13 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.600 0.225 25293 1264 1 13 . 1 1 5 5 CYS CB C 5 43.781 43.781 29.674 14.107 25293 1265 1 13 . 1 1 5 5 CYS H H 5 7.650 7.650 8.132 -0.482 25293 1266 1 13 . 1 1 6 6 LYS N N 6 122.395 122.395 121.404 0.991 25293 1267 1 13 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.962 -0.024 25293 1268 1 13 . 1 1 6 6 LYS H H 6 9.212 9.212 7.998 1.214 25293 1269 1 13 . 1 1 7 7 ARG N N 7 122.102 122.102 125.311 -3.209 25293 1270 1 13 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.052 0.659 25293 1271 1 13 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.953 1.768 25293 1272 1 13 . 1 1 7 7 ARG H H 7 8.700 8.700 8.273 0.427 25293 1273 1 13 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.757 -0.442 25293 1274 1 13 . 1 1 8 8 ASN CA C 8 54.388 54.388 53.007 1.381 25293 1275 1 13 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.044 -0.478 25293 1276 1 13 . 1 1 8 8 ASN H H 8 7.794 7.794 8.450 -0.656 25293 1277 1 13 . 1 1 9 9 GLY N N 9 101.289 101.289 106.262 -4.973 25293 1278 1 13 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.085 0.179 25293 1279 1 13 . 1 1 9 9 GLY H H 9 8.652 8.652 8.480 0.172 25293 1280 1 13 . 1 1 10 10 LEU N N 10 120.783 120.783 119.107 1.676 25293 1281 1 13 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.735 0.320 25293 1282 1 13 . 1 1 10 10 LEU CA C 10 51.535 51.535 50.887 0.648 25293 1283 1 13 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.085 -1.025 25293 1284 1 13 . 1 1 10 10 LEU H H 10 7.791 7.791 7.725 0.066 25293 1285 1 13 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.464 0.593 25293 1286 1 13 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.788 -2.451 25293 1287 1 13 . 1 1 12 12 VAL N N 12 115.299 115.299 117.011 -1.712 25293 1288 1 13 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.246 0.355 25293 1289 1 13 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.498 -1.397 25293 1290 1 13 . 1 1 12 12 VAL H H 12 7.971 7.971 8.247 -0.276 25293 1291 1 13 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.512 -0.181 25293 1292 1 13 . 1 1 13 13 CYS CA C 13 59.105 59.105 58.971 0.134 25293 1293 1 13 . 1 1 13 13 CYS CB C 13 48.573 48.573 27.541 21.032 25293 1294 1 13 . 1 1 13 13 CYS H H 13 8.103 8.103 7.950 0.153 25293 1295 1 13 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.966 0.503 25293 1296 1 13 . 1 1 14 14 GLY H H 14 8.433 8.433 8.611 -0.178 25293 1297 1 13 . 1 1 15 15 GLU N N 15 115.613 115.613 116.958 -1.345 25293 1298 1 13 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.619 0.048 25293 1299 1 13 . 1 1 15 15 GLU CB C 15 32.554 32.554 33.038 -0.485 25293 1300 1 13 . 1 1 15 15 GLU H H 15 7.064 7.064 7.926 -0.862 25293 1301 1 13 . 1 1 16 16 THR N N 16 115.298 115.298 112.235 3.063 25293 1302 1 13 . 1 1 16 16 THR HA H 16 4.525 4.525 4.796 -0.271 25293 1303 1 13 . 1 1 16 16 THR CB C 16 70.742 70.742 69.453 1.289 25293 1304 1 13 . 1 1 16 16 THR H H 16 8.413 8.413 7.994 0.419 25293 1305 1 13 . 1 1 17 17 CYS N N 17 115.927 115.927 124.550 -8.623 25293 1306 1 13 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.768 0.293 25293 1307 1 13 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.324 5.274 25293 1308 1 13 . 1 1 17 17 CYS CB C 17 47.454 47.454 28.839 18.615 25293 1309 1 13 . 1 1 17 17 CYS H H 17 8.239 8.239 8.401 -0.162 25293 1310 1 13 . 1 1 18 18 THR N N 18 117.192 117.192 115.756 1.436 25293 1311 1 13 . 1 1 18 18 THR HA H 18 3.912 3.912 4.789 -0.877 25293 1312 1 13 . 1 1 18 18 THR CA C 18 65.404 65.404 63.296 2.108 25293 1313 1 13 . 1 1 18 18 THR H H 18 8.277 8.277 8.764 -0.487 25293 1314 1 13 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.948 -0.457 25293 1315 1 13 . 1 1 19 19 LEU CB C 19 40.963 40.963 41.999 -1.036 25293 1316 1 13 . 1 1 19 19 LEU H H 19 8.474 8.474 7.753 0.721 25293 1317 1 13 . 1 1 20 20 GLY N N 20 105.833 105.833 108.111 -2.278 25293 1318 1 13 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.554 0.404 25293 1319 1 13 . 1 1 20 20 GLY H H 20 8.123 8.123 8.410 -0.287 25293 1320 1 13 . 1 1 21 21 THR N N 21 111.926 111.926 110.876 1.050 25293 1321 1 13 . 1 1 21 21 THR HA H 21 4.653 4.653 4.387 0.266 25293 1322 1 13 . 1 1 21 21 THR CB C 21 68.777 68.777 70.018 -1.241 25293 1323 1 13 . 1 1 21 21 THR H H 21 7.658 7.658 7.605 0.053 25293 1324 1 13 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.574 0.067 25293 1325 1 13 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.885 16.872 25293 1326 1 13 . 1 1 22 22 CYS H H 22 8.470 8.470 8.805 -0.335 25293 1327 1 13 . 1 1 23 23 SER N N 23 122.918 122.918 117.995 4.923 25293 1328 1 13 . 1 1 23 23 SER HA H 23 4.423 4.423 4.325 0.098 25293 1329 1 13 . 1 1 23 23 SER CA C 23 59.914 59.914 60.352 -0.438 25293 1330 1 13 . 1 1 23 23 SER CB C 23 64.597 64.597 63.637 0.960 25293 1331 1 13 . 1 1 23 23 SER H H 23 10.973 10.973 8.732 2.241 25293 1332 1 13 . 1 1 24 24 THR N N 24 124.108 124.108 115.646 8.462 25293 1333 1 13 . 1 1 24 24 THR HA H 24 3.979 3.979 4.426 -0.447 25293 1334 1 13 . 1 1 24 24 THR CA C 24 63.960 63.960 61.636 2.324 25293 1335 1 13 . 1 1 24 24 THR CB C 24 68.471 68.471 69.596 -1.125 25293 1336 1 13 . 1 1 24 24 THR H H 24 9.476 9.476 7.714 1.762 25293 1337 1 13 . 1 1 25 25 GLN N N 25 128.543 128.543 122.999 5.544 25293 1338 1 13 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.557 -0.632 25293 1339 1 13 . 1 1 25 25 GLN CA C 25 57.951 57.951 55.712 2.239 25293 1340 1 13 . 1 1 25 25 GLN CB C 25 28.195 28.195 28.673 -0.478 25293 1341 1 13 . 1 1 25 25 GLN H H 25 8.714 8.714 8.659 0.055 25293 1342 1 13 . 1 1 26 26 GLY CA C 26 45.249 45.249 45.103 0.145 25293 1343 1 13 . 1 1 26 26 GLY H H 26 8.810 8.810 8.326 0.484 25293 1344 1 13 . 1 1 27 27 CYS N N 27 117.687 117.687 117.458 0.229 25293 1345 1 13 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.722 0.351 25293 1346 1 13 . 1 1 27 27 CYS CB C 27 49.941 49.941 30.956 18.985 25293 1347 1 13 . 1 1 27 27 CYS H H 27 7.697 7.697 7.969 -0.272 25293 1348 1 13 . 1 1 28 28 THR N N 28 115.298 115.298 116.091 -0.793 25293 1349 1 13 . 1 1 28 28 THR HA H 28 4.488 4.488 4.567 -0.079 25293 1350 1 13 . 1 1 28 28 THR CA C 28 60.019 60.019 61.786 -1.767 25293 1351 1 13 . 1 1 28 28 THR CB C 28 71.515 71.515 70.224 1.291 25293 1352 1 13 . 1 1 28 28 THR H H 28 9.354 9.354 8.375 0.979 25293 1353 1 14 . 1 1 2 2 TRP N N 2 124.464 124.464 126.816 -2.352 25293 1354 1 14 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.669 -0.648 25293 1355 1 14 . 1 1 2 2 TRP CA C 2 59.121 59.121 57.921 1.200 25293 1356 1 14 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.882 -0.193 25293 1357 1 14 . 1 1 2 2 TRP H H 2 8.268 8.268 7.549 0.719 25293 1358 1 14 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.275 0.176 25293 1359 1 14 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.306 1.909 25293 1360 1 14 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.039 -0.290 25293 1361 1 14 . 1 1 4 4 ILE N N 4 126.955 126.955 119.218 7.737 25293 1362 1 14 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.862 0.324 25293 1363 1 14 . 1 1 4 4 ILE CA C 4 60.005 60.005 61.363 -1.358 25293 1364 1 14 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.239 0.170 25293 1365 1 14 . 1 1 4 4 ILE H H 4 8.276 8.276 7.432 0.844 25293 1366 1 14 . 1 1 5 5 CYS N N 5 124.228 124.228 123.618 0.610 25293 1367 1 14 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.553 0.272 25293 1368 1 14 . 1 1 5 5 CYS CB C 5 43.781 43.781 30.227 13.554 25293 1369 1 14 . 1 1 5 5 CYS H H 5 7.650 7.650 8.284 -0.634 25293 1370 1 14 . 1 1 6 6 LYS N N 6 122.395 122.395 121.883 0.512 25293 1371 1 14 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.802 0.136 25293 1372 1 14 . 1 1 6 6 LYS H H 6 9.212 9.212 8.052 1.160 25293 1373 1 14 . 1 1 7 7 ARG N N 7 122.102 122.102 124.488 -2.386 25293 1374 1 14 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.205 0.506 25293 1375 1 14 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.456 2.265 25293 1376 1 14 . 1 1 7 7 ARG H H 7 8.700 8.700 8.769 -0.069 25293 1377 1 14 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.750 -0.435 25293 1378 1 14 . 1 1 8 8 ASN CA C 8 54.388 54.388 53.336 1.052 25293 1379 1 14 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.359 -0.794 25293 1380 1 14 . 1 1 8 8 ASN H H 8 7.794 7.794 8.579 -0.785 25293 1381 1 14 . 1 1 9 9 GLY N N 9 101.289 101.289 106.222 -4.933 25293 1382 1 14 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.348 -0.084 25293 1383 1 14 . 1 1 9 9 GLY H H 9 8.652 8.652 8.444 0.208 25293 1384 1 14 . 1 1 10 10 LEU N N 10 120.783 120.783 118.505 2.278 25293 1385 1 14 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.713 0.342 25293 1386 1 14 . 1 1 10 10 LEU CA C 10 51.535 51.535 50.999 0.536 25293 1387 1 14 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.107 -1.047 25293 1388 1 14 . 1 1 10 10 LEU H H 10 7.791 7.791 7.671 0.120 25293 1389 1 14 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.469 0.588 25293 1390 1 14 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.777 -2.440 25293 1391 1 14 . 1 1 12 12 VAL N N 12 115.299 115.299 118.109 -2.810 25293 1392 1 14 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.240 0.361 25293 1393 1 14 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.656 -1.555 25293 1394 1 14 . 1 1 12 12 VAL H H 12 7.971 7.971 8.034 -0.063 25293 1395 1 14 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.478 -0.147 25293 1396 1 14 . 1 1 13 13 CYS CA C 13 59.105 59.105 59.409 -0.304 25293 1397 1 14 . 1 1 13 13 CYS CB C 13 48.573 48.573 26.835 21.738 25293 1398 1 14 . 1 1 13 13 CYS H H 13 8.103 8.103 7.985 0.118 25293 1399 1 14 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.876 0.593 25293 1400 1 14 . 1 1 14 14 GLY H H 14 8.433 8.433 8.657 -0.224 25293 1401 1 14 . 1 1 15 15 GLU N N 15 115.613 115.613 116.625 -1.012 25293 1402 1 14 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.634 0.033 25293 1403 1 14 . 1 1 15 15 GLU CB C 15 32.554 32.554 32.834 -0.280 25293 1404 1 14 . 1 1 15 15 GLU H H 15 7.064 7.064 7.881 -0.817 25293 1405 1 14 . 1 1 16 16 THR N N 16 115.298 115.298 112.587 2.711 25293 1406 1 14 . 1 1 16 16 THR HA H 16 4.525 4.525 4.810 -0.285 25293 1407 1 14 . 1 1 16 16 THR CB C 16 70.742 70.742 69.679 1.063 25293 1408 1 14 . 1 1 16 16 THR H H 16 8.413 8.413 8.009 0.404 25293 1409 1 14 . 1 1 17 17 CYS N N 17 115.927 115.927 124.235 -8.308 25293 1410 1 14 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.759 0.302 25293 1411 1 14 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.510 5.088 25293 1412 1 14 . 1 1 17 17 CYS CB C 17 47.454 47.454 29.131 18.323 25293 1413 1 14 . 1 1 17 17 CYS H H 17 8.239 8.239 8.556 -0.317 25293 1414 1 14 . 1 1 18 18 THR N N 18 117.192 117.192 115.889 1.303 25293 1415 1 14 . 1 1 18 18 THR HA H 18 3.912 3.912 4.784 -0.872 25293 1416 1 14 . 1 1 18 18 THR CA C 18 65.404 65.404 63.143 2.261 25293 1417 1 14 . 1 1 18 18 THR H H 18 8.277 8.277 8.874 -0.597 25293 1418 1 14 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.866 -0.375 25293 1419 1 14 . 1 1 19 19 LEU CB C 19 40.963 40.963 42.024 -1.061 25293 1420 1 14 . 1 1 19 19 LEU H H 19 8.474 8.474 7.675 0.799 25293 1421 1 14 . 1 1 20 20 GLY N N 20 105.833 105.833 108.599 -2.766 25293 1422 1 14 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.777 0.182 25293 1423 1 14 . 1 1 20 20 GLY H H 20 8.123 8.123 8.393 -0.270 25293 1424 1 14 . 1 1 21 21 THR N N 21 111.926 111.926 112.383 -0.457 25293 1425 1 14 . 1 1 21 21 THR HA H 21 4.653 4.653 4.421 0.232 25293 1426 1 14 . 1 1 21 21 THR CB C 21 68.777 68.777 69.890 -1.113 25293 1427 1 14 . 1 1 21 21 THR H H 21 7.658 7.658 7.609 0.049 25293 1428 1 14 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.346 0.295 25293 1429 1 14 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.939 16.819 25293 1430 1 14 . 1 1 22 22 CYS H H 22 8.470 8.470 8.721 -0.251 25293 1431 1 14 . 1 1 23 23 SER N N 23 122.918 122.918 115.432 7.486 25293 1432 1 14 . 1 1 23 23 SER HA H 23 4.423 4.423 4.713 -0.290 25293 1433 1 14 . 1 1 23 23 SER CA C 23 59.914 59.914 58.669 1.245 25293 1434 1 14 . 1 1 23 23 SER CB C 23 64.597 64.597 63.665 0.932 25293 1435 1 14 . 1 1 23 23 SER H H 23 10.973 10.973 8.948 2.025 25293 1436 1 14 . 1 1 24 24 THR N N 24 124.108 124.108 115.610 8.498 25293 1437 1 14 . 1 1 24 24 THR HA H 24 3.979 3.979 4.446 -0.467 25293 1438 1 14 . 1 1 24 24 THR CA C 24 63.960 63.960 61.210 2.750 25293 1439 1 14 . 1 1 24 24 THR CB C 24 68.471 68.471 69.147 -0.676 25293 1440 1 14 . 1 1 24 24 THR H H 24 9.476 9.476 7.947 1.529 25293 1441 1 14 . 1 1 25 25 GLN N N 25 128.543 128.543 119.776 8.767 25293 1442 1 14 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.082 -0.157 25293 1443 1 14 . 1 1 25 25 GLN CA C 25 57.951 57.951 56.775 1.176 25293 1444 1 14 . 1 1 25 25 GLN CB C 25 28.195 28.195 27.342 0.853 25293 1445 1 14 . 1 1 25 25 GLN H H 25 8.714 8.714 8.237 0.477 25293 1446 1 14 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.932 0.317 25293 1447 1 14 . 1 1 26 26 GLY H H 26 8.810 8.810 8.464 0.346 25293 1448 1 14 . 1 1 27 27 CYS N N 27 117.687 117.687 120.342 -2.655 25293 1449 1 14 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.491 0.582 25293 1450 1 14 . 1 1 27 27 CYS CB C 27 49.941 49.941 28.422 21.519 25293 1451 1 14 . 1 1 27 27 CYS H H 27 7.697 7.697 8.165 -0.468 25293 1452 1 14 . 1 1 28 28 THR N N 28 115.298 115.298 117.617 -2.319 25293 1453 1 14 . 1 1 28 28 THR HA H 28 4.488 4.488 4.605 -0.117 25293 1454 1 14 . 1 1 28 28 THR CA C 28 60.019 60.019 61.429 -1.410 25293 1455 1 14 . 1 1 28 28 THR CB C 28 71.515 71.515 69.692 1.823 25293 1456 1 14 . 1 1 28 28 THR H H 28 9.354 9.354 8.489 0.865 25293 1457 1 15 . 1 1 2 2 TRP N N 2 124.464 124.464 126.316 -1.852 25293 1458 1 15 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.680 -0.659 25293 1459 1 15 . 1 1 2 2 TRP CA C 2 59.121 59.121 58.195 0.926 25293 1460 1 15 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.845 -0.156 25293 1461 1 15 . 1 1 2 2 TRP H H 2 8.268 8.268 7.564 0.704 25293 1462 1 15 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.270 0.181 25293 1463 1 15 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.279 1.936 25293 1464 1 15 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.070 -0.320 25293 1465 1 15 . 1 1 4 4 ILE N N 4 126.955 126.955 118.952 8.003 25293 1466 1 15 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.722 0.464 25293 1467 1 15 . 1 1 4 4 ILE CA C 4 60.005 60.005 60.831 -0.826 25293 1468 1 15 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.559 -0.150 25293 1469 1 15 . 1 1 4 4 ILE H H 4 8.276 8.276 7.539 0.737 25293 1470 1 15 . 1 1 5 5 CYS N N 5 124.228 124.228 123.198 1.030 25293 1471 1 15 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.612 0.213 25293 1472 1 15 . 1 1 5 5 CYS CB C 5 43.781 43.781 29.416 14.365 25293 1473 1 15 . 1 1 5 5 CYS H H 5 7.650 7.650 8.280 -0.630 25293 1474 1 15 . 1 1 6 6 LYS N N 6 122.395 122.395 123.720 -1.325 25293 1475 1 15 . 1 1 6 6 LYS HA H 6 4.938 4.938 5.008 -0.070 25293 1476 1 15 . 1 1 6 6 LYS H H 6 9.212 9.212 8.823 0.389 25293 1477 1 15 . 1 1 7 7 ARG N N 7 122.102 122.102 125.239 -3.137 25293 1478 1 15 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.227 0.484 25293 1479 1 15 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.783 1.938 25293 1480 1 15 . 1 1 7 7 ARG H H 7 8.700 8.700 8.596 0.104 25293 1481 1 15 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.760 -0.445 25293 1482 1 15 . 1 1 8 8 ASN CA C 8 54.388 54.388 53.278 1.110 25293 1483 1 15 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.349 -0.784 25293 1484 1 15 . 1 1 8 8 ASN H H 8 7.794 7.794 8.536 -0.742 25293 1485 1 15 . 1 1 9 9 GLY N N 9 101.289 101.289 106.495 -5.206 25293 1486 1 15 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.311 -0.047 25293 1487 1 15 . 1 1 9 9 GLY H H 9 8.652 8.652 8.526 0.126 25293 1488 1 15 . 1 1 10 10 LEU N N 10 120.783 120.783 118.377 2.406 25293 1489 1 15 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.710 0.345 25293 1490 1 15 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.025 0.510 25293 1491 1 15 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.058 -0.998 25293 1492 1 15 . 1 1 10 10 LEU H H 10 7.791 7.791 7.666 0.125 25293 1493 1 15 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.431 0.626 25293 1494 1 15 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.598 -2.261 25293 1495 1 15 . 1 1 12 12 VAL N N 12 115.299 115.299 116.591 -1.292 25293 1496 1 15 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.366 0.235 25293 1497 1 15 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.565 -1.464 25293 1498 1 15 . 1 1 12 12 VAL H H 12 7.971 7.971 8.290 -0.319 25293 1499 1 15 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.750 -0.419 25293 1500 1 15 . 1 1 13 13 CYS CA C 13 59.105 59.105 58.584 0.520 25293 1501 1 15 . 1 1 13 13 CYS CB C 13 48.573 48.573 29.123 19.450 25293 1502 1 15 . 1 1 13 13 CYS H H 13 8.103 8.103 8.000 0.103 25293 1503 1 15 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.923 0.546 25293 1504 1 15 . 1 1 14 14 GLY H H 14 8.433 8.433 8.774 -0.341 25293 1505 1 15 . 1 1 15 15 GLU N N 15 115.613 115.613 117.920 -2.307 25293 1506 1 15 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.534 0.133 25293 1507 1 15 . 1 1 15 15 GLU CB C 15 32.554 32.554 29.720 2.834 25293 1508 1 15 . 1 1 15 15 GLU H H 15 7.064 7.064 8.086 -1.022 25293 1509 1 15 . 1 1 16 16 THR N N 16 115.298 115.298 113.803 1.495 25293 1510 1 15 . 1 1 16 16 THR HA H 16 4.525 4.525 4.212 0.313 25293 1511 1 15 . 1 1 16 16 THR CB C 16 70.742 70.742 68.575 2.167 25293 1512 1 15 . 1 1 16 16 THR H H 16 8.413 8.413 7.995 0.418 25293 1513 1 15 . 1 1 17 17 CYS N N 17 115.927 115.927 124.928 -9.001 25293 1514 1 15 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.606 0.455 25293 1515 1 15 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.202 5.396 25293 1516 1 15 . 1 1 17 17 CYS CB C 17 47.454 47.454 28.863 18.591 25293 1517 1 15 . 1 1 17 17 CYS H H 17 8.239 8.239 8.287 -0.048 25293 1518 1 15 . 1 1 18 18 THR N N 18 117.192 117.192 115.007 2.185 25293 1519 1 15 . 1 1 18 18 THR HA H 18 3.912 3.912 4.804 -0.892 25293 1520 1 15 . 1 1 18 18 THR CA C 18 65.404 65.404 62.759 2.645 25293 1521 1 15 . 1 1 18 18 THR H H 18 8.277 8.277 8.903 -0.626 25293 1522 1 15 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.892 -0.401 25293 1523 1 15 . 1 1 19 19 LEU CB C 19 40.963 40.963 41.969 -1.006 25293 1524 1 15 . 1 1 19 19 LEU H H 19 8.474 8.474 7.865 0.609 25293 1525 1 15 . 1 1 20 20 GLY N N 20 105.833 105.833 107.832 -1.999 25293 1526 1 15 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.689 0.270 25293 1527 1 15 . 1 1 20 20 GLY H H 20 8.123 8.123 8.414 -0.291 25293 1528 1 15 . 1 1 21 21 THR N N 21 111.926 111.926 111.597 0.329 25293 1529 1 15 . 1 1 21 21 THR HA H 21 4.653 4.653 4.411 0.242 25293 1530 1 15 . 1 1 21 21 THR CB C 21 68.777 68.777 70.308 -1.531 25293 1531 1 15 . 1 1 21 21 THR H H 21 7.658 7.658 7.522 0.136 25293 1532 1 15 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.580 0.061 25293 1533 1 15 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.522 17.235 25293 1534 1 15 . 1 1 22 22 CYS H H 22 8.470 8.470 8.836 -0.366 25293 1535 1 15 . 1 1 23 23 SER N N 23 122.918 122.918 119.247 3.671 25293 1536 1 15 . 1 1 23 23 SER HA H 23 4.423 4.423 4.306 0.117 25293 1537 1 15 . 1 1 23 23 SER CA C 23 59.914 59.914 60.166 -0.252 25293 1538 1 15 . 1 1 23 23 SER CB C 23 64.597 64.597 63.460 1.137 25293 1539 1 15 . 1 1 23 23 SER H H 23 10.973 10.973 8.689 2.284 25293 1540 1 15 . 1 1 24 24 THR N N 24 124.108 124.108 115.013 9.095 25293 1541 1 15 . 1 1 24 24 THR HA H 24 3.979 3.979 4.396 -0.417 25293 1542 1 15 . 1 1 24 24 THR CA C 24 63.960 63.960 61.442 2.518 25293 1543 1 15 . 1 1 24 24 THR CB C 24 68.471 68.471 69.767 -1.296 25293 1544 1 15 . 1 1 24 24 THR H H 24 9.476 9.476 7.665 1.811 25293 1545 1 15 . 1 1 25 25 GLN N N 25 128.543 128.543 122.717 5.826 25293 1546 1 15 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.452 -0.527 25293 1547 1 15 . 1 1 25 25 GLN CA C 25 57.951 57.951 56.069 1.882 25293 1548 1 15 . 1 1 25 25 GLN CB C 25 28.195 28.195 27.500 0.695 25293 1549 1 15 . 1 1 25 25 GLN H H 25 8.714 8.714 8.658 0.056 25293 1550 1 15 . 1 1 26 26 GLY CA C 26 45.249 45.249 45.521 -0.272 25293 1551 1 15 . 1 1 26 26 GLY H H 26 8.810 8.810 8.268 0.542 25293 1552 1 15 . 1 1 27 27 CYS N N 27 117.687 117.687 120.159 -2.472 25293 1553 1 15 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.471 0.602 25293 1554 1 15 . 1 1 27 27 CYS CB C 27 49.941 49.941 28.216 21.725 25293 1555 1 15 . 1 1 27 27 CYS H H 27 7.697 7.697 8.110 -0.413 25293 1556 1 15 . 1 1 28 28 THR N N 28 115.298 115.298 114.727 0.571 25293 1557 1 15 . 1 1 28 28 THR HA H 28 4.488 4.488 4.658 -0.170 25293 1558 1 15 . 1 1 28 28 THR CA C 28 60.019 60.019 60.851 -0.832 25293 1559 1 15 . 1 1 28 28 THR CB C 28 71.515 71.515 70.782 0.733 25293 1560 1 15 . 1 1 28 28 THR H H 28 9.354 9.354 8.434 0.920 25293 1561 1 16 . 1 1 2 2 TRP N N 2 124.464 124.464 125.889 -1.425 25293 1562 1 16 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.658 -0.637 25293 1563 1 16 . 1 1 2 2 TRP CA C 2 59.121 59.121 57.880 1.241 25293 1564 1 16 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.858 -0.169 25293 1565 1 16 . 1 1 2 2 TRP H H 2 8.268 8.268 7.497 0.771 25293 1566 1 16 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.260 0.191 25293 1567 1 16 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.263 1.952 25293 1568 1 16 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.044 -0.294 25293 1569 1 16 . 1 1 4 4 ILE N N 4 126.955 126.955 118.842 8.113 25293 1570 1 16 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.725 0.461 25293 1571 1 16 . 1 1 4 4 ILE CA C 4 60.005 60.005 60.865 -0.861 25293 1572 1 16 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.565 -0.156 25293 1573 1 16 . 1 1 4 4 ILE H H 4 8.276 8.276 7.582 0.694 25293 1574 1 16 . 1 1 5 5 CYS N N 5 124.228 124.228 123.038 1.190 25293 1575 1 16 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.754 0.071 25293 1576 1 16 . 1 1 5 5 CYS CB C 5 43.781 43.781 30.020 13.761 25293 1577 1 16 . 1 1 5 5 CYS H H 5 7.650 7.650 8.279 -0.629 25293 1578 1 16 . 1 1 6 6 LYS N N 6 122.395 122.395 122.853 -0.458 25293 1579 1 16 . 1 1 6 6 LYS HA H 6 4.938 4.938 5.039 -0.101 25293 1580 1 16 . 1 1 6 6 LYS H H 6 9.212 9.212 8.866 0.346 25293 1581 1 16 . 1 1 7 7 ARG N N 7 122.102 122.102 125.308 -3.206 25293 1582 1 16 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.232 0.479 25293 1583 1 16 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.657 2.064 25293 1584 1 16 . 1 1 7 7 ARG H H 7 8.700 8.700 8.858 -0.158 25293 1585 1 16 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.878 -0.563 25293 1586 1 16 . 1 1 8 8 ASN CA C 8 54.388 54.388 52.911 1.477 25293 1587 1 16 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.795 -1.230 25293 1588 1 16 . 1 1 8 8 ASN H H 8 7.794 7.794 8.426 -0.632 25293 1589 1 16 . 1 1 9 9 GLY N N 9 101.289 101.289 106.640 -5.351 25293 1590 1 16 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.230 0.034 25293 1591 1 16 . 1 1 9 9 GLY H H 9 8.652 8.652 8.525 0.127 25293 1592 1 16 . 1 1 10 10 LEU N N 10 120.783 120.783 118.335 2.448 25293 1593 1 16 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.695 0.360 25293 1594 1 16 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.156 0.379 25293 1595 1 16 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.379 -1.319 25293 1596 1 16 . 1 1 10 10 LEU H H 10 7.791 7.791 7.693 0.098 25293 1597 1 16 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.487 0.570 25293 1598 1 16 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.820 -2.483 25293 1599 1 16 . 1 1 12 12 VAL N N 12 115.299 115.299 118.146 -2.847 25293 1600 1 16 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.253 0.348 25293 1601 1 16 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.612 -1.511 25293 1602 1 16 . 1 1 12 12 VAL H H 12 7.971 7.971 8.027 -0.056 25293 1603 1 16 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.443 -0.112 25293 1604 1 16 . 1 1 13 13 CYS CA C 13 59.105 59.105 59.909 -0.804 25293 1605 1 16 . 1 1 13 13 CYS CB C 13 48.573 48.573 26.715 21.858 25293 1606 1 16 . 1 1 13 13 CYS H H 13 8.103 8.103 7.940 0.163 25293 1607 1 16 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.700 0.769 25293 1608 1 16 . 1 1 14 14 GLY H H 14 8.433 8.433 8.837 -0.404 25293 1609 1 16 . 1 1 15 15 GLU N N 15 115.613 115.613 117.659 -2.046 25293 1610 1 16 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.535 0.132 25293 1611 1 16 . 1 1 15 15 GLU CB C 15 32.554 32.554 29.494 3.060 25293 1612 1 16 . 1 1 15 15 GLU H H 15 7.064 7.064 7.959 -0.895 25293 1613 1 16 . 1 1 16 16 THR N N 16 115.298 115.298 113.825 1.473 25293 1614 1 16 . 1 1 16 16 THR HA H 16 4.525 4.525 4.204 0.321 25293 1615 1 16 . 1 1 16 16 THR CB C 16 70.742 70.742 68.704 2.038 25293 1616 1 16 . 1 1 16 16 THR H H 16 8.413 8.413 8.091 0.322 25293 1617 1 16 . 1 1 17 17 CYS N N 17 115.927 115.927 123.859 -7.932 25293 1618 1 16 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.659 0.402 25293 1619 1 16 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.354 5.244 25293 1620 1 16 . 1 1 17 17 CYS CB C 17 47.454 47.454 28.979 18.476 25293 1621 1 16 . 1 1 17 17 CYS H H 17 8.239 8.239 8.341 -0.102 25293 1622 1 16 . 1 1 18 18 THR N N 18 117.192 117.192 114.927 2.265 25293 1623 1 16 . 1 1 18 18 THR HA H 18 3.912 3.912 4.779 -0.867 25293 1624 1 16 . 1 1 18 18 THR CA C 18 65.404 65.404 62.907 2.497 25293 1625 1 16 . 1 1 18 18 THR H H 18 8.277 8.277 8.926 -0.649 25293 1626 1 16 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.859 -0.368 25293 1627 1 16 . 1 1 19 19 LEU CB C 19 40.963 40.963 41.833 -0.870 25293 1628 1 16 . 1 1 19 19 LEU H H 19 8.474 8.474 7.861 0.613 25293 1629 1 16 . 1 1 20 20 GLY N N 20 105.833 105.833 108.015 -2.182 25293 1630 1 16 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.718 0.241 25293 1631 1 16 . 1 1 20 20 GLY H H 20 8.123 8.123 8.438 -0.316 25293 1632 1 16 . 1 1 21 21 THR N N 21 111.926 111.926 111.659 0.267 25293 1633 1 16 . 1 1 21 21 THR HA H 21 4.653 4.653 4.407 0.246 25293 1634 1 16 . 1 1 21 21 THR CB C 21 68.777 68.777 70.121 -1.343 25293 1635 1 16 . 1 1 21 21 THR H H 21 7.658 7.658 7.558 0.100 25293 1636 1 16 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.580 0.061 25293 1637 1 16 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.777 16.980 25293 1638 1 16 . 1 1 22 22 CYS H H 22 8.470 8.470 8.683 -0.213 25293 1639 1 16 . 1 1 23 23 SER N N 23 122.918 122.918 118.483 4.435 25293 1640 1 16 . 1 1 23 23 SER HA H 23 4.423 4.423 4.407 0.016 25293 1641 1 16 . 1 1 23 23 SER CA C 23 59.914 59.914 60.877 -0.962 25293 1642 1 16 . 1 1 23 23 SER CB C 23 64.597 64.597 63.719 0.878 25293 1643 1 16 . 1 1 23 23 SER H H 23 10.973 10.973 8.679 2.294 25293 1644 1 16 . 1 1 24 24 THR N N 24 124.108 124.108 115.719 8.389 25293 1645 1 16 . 1 1 24 24 THR HA H 24 3.979 3.979 4.296 -0.317 25293 1646 1 16 . 1 1 24 24 THR CA C 24 63.960 63.960 61.815 2.145 25293 1647 1 16 . 1 1 24 24 THR CB C 24 68.471 68.471 69.653 -1.182 25293 1648 1 16 . 1 1 24 24 THR H H 24 9.476 9.476 8.383 1.093 25293 1649 1 16 . 1 1 25 25 GLN N N 25 128.543 128.543 121.536 7.007 25293 1650 1 16 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.451 -0.526 25293 1651 1 16 . 1 1 25 25 GLN CA C 25 57.951 57.951 55.560 2.391 25293 1652 1 16 . 1 1 25 25 GLN CB C 25 28.195 28.195 27.662 0.533 25293 1653 1 16 . 1 1 25 25 GLN H H 25 8.714 8.714 8.498 0.216 25293 1654 1 16 . 1 1 26 26 GLY CA C 26 45.249 45.249 45.003 0.246 25293 1655 1 16 . 1 1 26 26 GLY H H 26 8.810 8.810 8.394 0.416 25293 1656 1 16 . 1 1 27 27 CYS N N 27 117.687 117.687 120.324 -2.637 25293 1657 1 16 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.400 0.673 25293 1658 1 16 . 1 1 27 27 CYS CB C 27 49.941 49.941 27.317 22.624 25293 1659 1 16 . 1 1 27 27 CYS H H 27 7.697 7.697 8.213 -0.516 25293 1660 1 16 . 1 1 28 28 THR N N 28 115.298 115.298 114.009 1.289 25293 1661 1 16 . 1 1 28 28 THR HA H 28 4.488 4.488 4.589 -0.101 25293 1662 1 16 . 1 1 28 28 THR CA C 28 60.019 60.019 61.315 -1.296 25293 1663 1 16 . 1 1 28 28 THR CB C 28 71.515 71.515 70.943 0.572 25293 1664 1 16 . 1 1 28 28 THR H H 28 9.354 9.354 8.409 0.945 25293 1665 1 17 . 1 1 2 2 TRP N N 2 124.464 124.464 123.344 1.120 25293 1666 1 17 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.464 -0.443 25293 1667 1 17 . 1 1 2 2 TRP CA C 2 59.121 59.121 58.355 0.766 25293 1668 1 17 . 1 1 2 2 TRP CB C 2 29.689 29.689 28.741 0.948 25293 1669 1 17 . 1 1 2 2 TRP H H 2 8.268 8.268 8.182 0.086 25293 1670 1 17 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.344 0.107 25293 1671 1 17 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.222 1.993 25293 1672 1 17 . 1 1 3 3 PRO CB C 3 31.750 31.750 31.978 -0.228 25293 1673 1 17 . 1 1 4 4 ILE N N 4 126.955 126.955 117.773 9.182 25293 1674 1 17 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.946 0.240 25293 1675 1 17 . 1 1 4 4 ILE CA C 4 60.005 60.005 60.287 -0.282 25293 1676 1 17 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.791 -0.382 25293 1677 1 17 . 1 1 4 4 ILE H H 4 8.276 8.276 7.233 1.043 25293 1678 1 17 . 1 1 5 5 CYS N N 5 124.228 124.228 125.124 -0.896 25293 1679 1 17 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.944 -0.119 25293 1680 1 17 . 1 1 5 5 CYS CB C 5 43.781 43.781 29.084 14.697 25293 1681 1 17 . 1 1 5 5 CYS H H 5 7.650 7.650 8.225 -0.575 25293 1682 1 17 . 1 1 6 6 LYS N N 6 122.395 122.395 122.670 -0.275 25293 1683 1 17 . 1 1 6 6 LYS HA H 6 4.938 4.938 5.038 -0.100 25293 1684 1 17 . 1 1 6 6 LYS H H 6 9.212 9.212 8.645 0.567 25293 1685 1 17 . 1 1 7 7 ARG N N 7 122.102 122.102 126.309 -4.207 25293 1686 1 17 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.124 0.587 25293 1687 1 17 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.714 2.007 25293 1688 1 17 . 1 1 7 7 ARG H H 7 8.700 8.700 8.291 0.409 25293 1689 1 17 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.795 -0.480 25293 1690 1 17 . 1 1 8 8 ASN CA C 8 54.388 54.388 52.973 1.415 25293 1691 1 17 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.871 -1.306 25293 1692 1 17 . 1 1 8 8 ASN H H 8 7.794 7.794 8.469 -0.675 25293 1693 1 17 . 1 1 9 9 GLY N N 9 101.289 101.289 106.541 -5.252 25293 1694 1 17 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.192 0.072 25293 1695 1 17 . 1 1 9 9 GLY H H 9 8.652 8.652 8.475 0.177 25293 1696 1 17 . 1 1 10 10 LEU N N 10 120.783 120.783 118.896 1.887 25293 1697 1 17 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.738 0.317 25293 1698 1 17 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.201 0.334 25293 1699 1 17 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.296 -1.236 25293 1700 1 17 . 1 1 10 10 LEU H H 10 7.791 7.791 7.724 0.067 25293 1701 1 17 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.466 0.591 25293 1702 1 17 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.696 -2.359 25293 1703 1 17 . 1 1 12 12 VAL N N 12 115.299 115.299 115.874 -0.575 25293 1704 1 17 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.457 0.144 25293 1705 1 17 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.578 -1.478 25293 1706 1 17 . 1 1 12 12 VAL H H 12 7.971 7.971 8.012 -0.041 25293 1707 1 17 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.736 -0.405 25293 1708 1 17 . 1 1 13 13 CYS CA C 13 59.105 59.105 58.573 0.532 25293 1709 1 17 . 1 1 13 13 CYS CB C 13 48.573 48.573 28.962 19.611 25293 1710 1 17 . 1 1 13 13 CYS H H 13 8.103 8.103 8.200 -0.097 25293 1711 1 17 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.471 0.998 25293 1712 1 17 . 1 1 14 14 GLY H H 14 8.433 8.433 8.674 -0.241 25293 1713 1 17 . 1 1 15 15 GLU N N 15 115.613 115.613 117.543 -1.930 25293 1714 1 17 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.730 -0.063 25293 1715 1 17 . 1 1 15 15 GLU CB C 15 32.554 32.554 31.959 0.595 25293 1716 1 17 . 1 1 15 15 GLU H H 15 7.064 7.064 7.895 -0.831 25293 1717 1 17 . 1 1 16 16 THR N N 16 115.298 115.298 113.515 1.783 25293 1718 1 17 . 1 1 16 16 THR HA H 16 4.525 4.525 5.078 -0.553 25293 1719 1 17 . 1 1 16 16 THR CB C 16 70.742 70.742 69.677 1.065 25293 1720 1 17 . 1 1 16 16 THR H H 16 8.413 8.413 8.320 0.093 25293 1721 1 17 . 1 1 17 17 CYS N N 17 115.927 115.927 123.534 -7.607 25293 1722 1 17 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.812 0.249 25293 1723 1 17 . 1 1 17 17 CYS CA C 17 62.598 62.598 56.983 5.615 25293 1724 1 17 . 1 1 17 17 CYS CB C 17 47.454 47.454 29.853 17.601 25293 1725 1 17 . 1 1 17 17 CYS H H 17 8.239 8.239 8.484 -0.245 25293 1726 1 17 . 1 1 18 18 THR N N 18 117.192 117.192 115.838 1.354 25293 1727 1 17 . 1 1 18 18 THR HA H 18 3.912 3.912 4.760 -0.848 25293 1728 1 17 . 1 1 18 18 THR CA C 18 65.404 65.404 63.327 2.077 25293 1729 1 17 . 1 1 18 18 THR H H 18 8.277 8.277 8.825 -0.548 25293 1730 1 17 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.897 -0.406 25293 1731 1 17 . 1 1 19 19 LEU CB C 19 40.963 40.963 42.196 -1.233 25293 1732 1 17 . 1 1 19 19 LEU H H 19 8.474 8.474 7.718 0.756 25293 1733 1 17 . 1 1 20 20 GLY N N 20 105.833 105.833 107.931 -2.098 25293 1734 1 17 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.622 0.337 25293 1735 1 17 . 1 1 20 20 GLY H H 20 8.123 8.123 8.441 -0.318 25293 1736 1 17 . 1 1 21 21 THR N N 21 111.926 111.926 112.614 -0.688 25293 1737 1 17 . 1 1 21 21 THR HA H 21 4.653 4.653 4.392 0.261 25293 1738 1 17 . 1 1 21 21 THR CB C 21 68.777 68.777 70.434 -1.657 25293 1739 1 17 . 1 1 21 21 THR H H 21 7.658 7.658 7.532 0.126 25293 1740 1 17 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.465 0.176 25293 1741 1 17 . 1 1 22 22 CYS CB C 22 44.757 44.757 28.171 16.586 25293 1742 1 17 . 1 1 22 22 CYS H H 22 8.470 8.470 8.695 -0.225 25293 1743 1 17 . 1 1 23 23 SER N N 23 122.918 122.918 114.671 8.247 25293 1744 1 17 . 1 1 23 23 SER HA H 23 4.423 4.423 4.666 -0.243 25293 1745 1 17 . 1 1 23 23 SER CA C 23 59.914 59.914 58.919 0.995 25293 1746 1 17 . 1 1 23 23 SER CB C 23 64.597 64.597 63.502 1.095 25293 1747 1 17 . 1 1 23 23 SER H H 23 10.973 10.973 8.763 2.210 25293 1748 1 17 . 1 1 24 24 THR N N 24 124.108 124.108 116.051 8.057 25293 1749 1 17 . 1 1 24 24 THR HA H 24 3.979 3.979 4.370 -0.391 25293 1750 1 17 . 1 1 24 24 THR CA C 24 63.960 63.960 62.173 1.787 25293 1751 1 17 . 1 1 24 24 THR CB C 24 68.471 68.471 68.845 -0.374 25293 1752 1 17 . 1 1 24 24 THR H H 24 9.476 9.476 8.026 1.450 25293 1753 1 17 . 1 1 25 25 GLN N N 25 128.543 128.543 118.858 9.685 25293 1754 1 17 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.125 -0.200 25293 1755 1 17 . 1 1 25 25 GLN CA C 25 57.951 57.951 57.005 0.945 25293 1756 1 17 . 1 1 25 25 GLN CB C 25 28.195 28.195 27.779 0.416 25293 1757 1 17 . 1 1 25 25 GLN H H 25 8.714 8.714 8.345 0.369 25293 1758 1 17 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.919 0.330 25293 1759 1 17 . 1 1 26 26 GLY H H 26 8.810 8.810 8.410 0.400 25293 1760 1 17 . 1 1 27 27 CYS N N 27 117.687 117.687 117.944 -0.257 25293 1761 1 17 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.799 0.274 25293 1762 1 17 . 1 1 27 27 CYS CB C 27 49.941 49.941 30.035 19.906 25293 1763 1 17 . 1 1 27 27 CYS H H 27 7.697 7.697 7.914 -0.217 25293 1764 1 17 . 1 1 28 28 THR N N 28 115.298 115.298 115.492 -0.194 25293 1765 1 17 . 1 1 28 28 THR HA H 28 4.488 4.488 4.683 -0.195 25293 1766 1 17 . 1 1 28 28 THR CA C 28 60.019 60.019 61.112 -1.093 25293 1767 1 17 . 1 1 28 28 THR CB C 28 71.515 71.515 70.955 0.560 25293 1768 1 17 . 1 1 28 28 THR H H 28 9.354 9.354 8.630 0.724 25293 1769 1 18 . 1 1 2 2 TRP N N 2 124.464 124.464 125.828 -1.364 25293 1770 1 18 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.667 -0.646 25293 1771 1 18 . 1 1 2 2 TRP CA C 2 59.121 59.121 57.861 1.260 25293 1772 1 18 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.848 -0.159 25293 1773 1 18 . 1 1 2 2 TRP H H 2 8.268 8.268 7.457 0.811 25293 1774 1 18 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.266 0.185 25293 1775 1 18 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.266 1.950 25293 1776 1 18 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.013 -0.263 25293 1777 1 18 . 1 1 4 4 ILE N N 4 126.955 126.955 118.940 8.015 25293 1778 1 18 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.739 0.447 25293 1779 1 18 . 1 1 4 4 ILE CA C 4 60.005 60.005 61.492 -1.487 25293 1780 1 18 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.275 0.134 25293 1781 1 18 . 1 1 4 4 ILE H H 4 8.276 8.276 7.445 0.831 25293 1782 1 18 . 1 1 5 5 CYS N N 5 124.228 124.228 122.773 1.455 25293 1783 1 18 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.667 0.158 25293 1784 1 18 . 1 1 5 5 CYS CB C 5 43.781 43.781 30.321 13.460 25293 1785 1 18 . 1 1 5 5 CYS H H 5 7.650 7.650 8.142 -0.492 25293 1786 1 18 . 1 1 6 6 LYS N N 6 122.395 122.395 121.325 1.070 25293 1787 1 18 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.918 0.020 25293 1788 1 18 . 1 1 6 6 LYS H H 6 9.212 9.212 8.822 0.390 25293 1789 1 18 . 1 1 7 7 ARG N N 7 122.102 122.102 124.928 -2.826 25293 1790 1 18 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.182 0.529 25293 1791 1 18 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.658 2.063 25293 1792 1 18 . 1 1 7 7 ARG H H 7 8.700 8.700 8.739 -0.039 25293 1793 1 18 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.857 -0.542 25293 1794 1 18 . 1 1 8 8 ASN CA C 8 54.388 54.388 53.016 1.372 25293 1795 1 18 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.522 -0.957 25293 1796 1 18 . 1 1 8 8 ASN H H 8 7.794 7.794 8.359 -0.565 25293 1797 1 18 . 1 1 9 9 GLY N N 9 101.289 101.289 107.258 -5.969 25293 1798 1 18 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.603 -0.339 25293 1799 1 18 . 1 1 9 9 GLY H H 9 8.652 8.652 8.603 0.049 25293 1800 1 18 . 1 1 10 10 LEU N N 10 120.783 120.783 118.257 2.526 25293 1801 1 18 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.709 0.346 25293 1802 1 18 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.117 0.418 25293 1803 1 18 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.398 -1.338 25293 1804 1 18 . 1 1 10 10 LEU H H 10 7.791 7.791 7.664 0.127 25293 1805 1 18 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.462 0.595 25293 1806 1 18 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.527 -2.190 25293 1807 1 18 . 1 1 12 12 VAL N N 12 115.299 115.299 116.315 -1.016 25293 1808 1 18 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.218 0.383 25293 1809 1 18 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.815 -1.714 25293 1810 1 18 . 1 1 12 12 VAL H H 12 7.971 7.971 8.042 -0.071 25293 1811 1 18 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.493 -0.162 25293 1812 1 18 . 1 1 13 13 CYS CA C 13 59.105 59.105 59.725 -0.620 25293 1813 1 18 . 1 1 13 13 CYS CB C 13 48.573 48.573 27.192 21.381 25293 1814 1 18 . 1 1 13 13 CYS H H 13 8.103 8.103 8.102 0.001 25293 1815 1 18 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.351 1.118 25293 1816 1 18 . 1 1 14 14 GLY H H 14 8.433 8.433 8.648 -0.215 25293 1817 1 18 . 1 1 15 15 GLU N N 15 115.613 115.613 117.397 -1.784 25293 1818 1 18 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.613 0.054 25293 1819 1 18 . 1 1 15 15 GLU CB C 15 32.554 32.554 31.871 0.683 25293 1820 1 18 . 1 1 15 15 GLU H H 15 7.064 7.064 8.066 -1.002 25293 1821 1 18 . 1 1 16 16 THR N N 16 115.298 115.298 111.690 3.608 25293 1822 1 18 . 1 1 16 16 THR HA H 16 4.525 4.525 4.916 -0.391 25293 1823 1 18 . 1 1 16 16 THR CB C 16 70.742 70.742 69.817 0.925 25293 1824 1 18 . 1 1 16 16 THR H H 16 8.413 8.413 8.229 0.184 25293 1825 1 18 . 1 1 17 17 CYS N N 17 115.927 115.927 123.821 -7.894 25293 1826 1 18 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.796 0.265 25293 1827 1 18 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.508 5.090 25293 1828 1 18 . 1 1 17 17 CYS CB C 17 47.454 47.454 28.868 18.586 25293 1829 1 18 . 1 1 17 17 CYS H H 17 8.239 8.239 8.474 -0.235 25293 1830 1 18 . 1 1 18 18 THR N N 18 117.192 117.192 114.783 2.409 25293 1831 1 18 . 1 1 18 18 THR HA H 18 3.912 3.912 4.790 -0.878 25293 1832 1 18 . 1 1 18 18 THR CA C 18 65.404 65.404 63.728 1.676 25293 1833 1 18 . 1 1 18 18 THR H H 18 8.277 8.277 8.780 -0.503 25293 1834 1 18 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.777 -0.286 25293 1835 1 18 . 1 1 19 19 LEU CB C 19 40.963 40.963 41.755 -0.792 25293 1836 1 18 . 1 1 19 19 LEU H H 19 8.474 8.474 7.710 0.764 25293 1837 1 18 . 1 1 20 20 GLY N N 20 105.833 105.833 108.444 -2.611 25293 1838 1 18 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.505 0.454 25293 1839 1 18 . 1 1 20 20 GLY H H 20 8.123 8.123 8.571 -0.448 25293 1840 1 18 . 1 1 21 21 THR N N 21 111.926 111.926 112.675 -0.749 25293 1841 1 18 . 1 1 21 21 THR HA H 21 4.653 4.653 4.389 0.264 25293 1842 1 18 . 1 1 21 21 THR CB C 21 68.777 68.777 70.606 -1.829 25293 1843 1 18 . 1 1 21 21 THR H H 21 7.658 7.658 7.607 0.051 25293 1844 1 18 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.629 0.012 25293 1845 1 18 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.675 17.082 25293 1846 1 18 . 1 1 22 22 CYS H H 22 8.470 8.470 8.561 -0.091 25293 1847 1 18 . 1 1 23 23 SER N N 23 122.918 122.918 119.098 3.820 25293 1848 1 18 . 1 1 23 23 SER HA H 23 4.423 4.423 4.255 0.168 25293 1849 1 18 . 1 1 23 23 SER CA C 23 59.914 59.914 60.419 -0.505 25293 1850 1 18 . 1 1 23 23 SER CB C 23 64.597 64.597 63.549 1.048 25293 1851 1 18 . 1 1 23 23 SER H H 23 10.973 10.973 8.629 2.344 25293 1852 1 18 . 1 1 24 24 THR N N 24 124.108 124.108 116.363 7.745 25293 1853 1 18 . 1 1 24 24 THR HA H 24 3.979 3.979 4.430 -0.451 25293 1854 1 18 . 1 1 24 24 THR CA C 24 63.960 63.960 61.361 2.599 25293 1855 1 18 . 1 1 24 24 THR CB C 24 68.471 68.471 69.892 -1.421 25293 1856 1 18 . 1 1 24 24 THR H H 24 9.476 9.476 7.670 1.806 25293 1857 1 18 . 1 1 25 25 GLN N N 25 128.543 128.543 120.603 7.940 25293 1858 1 18 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.535 -0.610 25293 1859 1 18 . 1 1 25 25 GLN CA C 25 57.951 57.951 55.437 2.514 25293 1860 1 18 . 1 1 25 25 GLN CB C 25 28.195 28.195 29.018 -0.823 25293 1861 1 18 . 1 1 25 25 GLN H H 25 8.714 8.714 8.511 0.203 25293 1862 1 18 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.816 0.433 25293 1863 1 18 . 1 1 26 26 GLY H H 26 8.810 8.810 8.587 0.223 25293 1864 1 18 . 1 1 27 27 CYS N N 27 117.687 117.687 120.136 -2.449 25293 1865 1 18 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.528 0.545 25293 1866 1 18 . 1 1 27 27 CYS CB C 27 49.941 49.941 28.104 21.837 25293 1867 1 18 . 1 1 27 27 CYS H H 27 7.697 7.697 8.038 -0.341 25293 1868 1 18 . 1 1 28 28 THR N N 28 115.298 115.298 115.304 -0.006 25293 1869 1 18 . 1 1 28 28 THR HA H 28 4.488 4.488 4.631 -0.143 25293 1870 1 18 . 1 1 28 28 THR CA C 28 60.019 60.019 60.832 -0.813 25293 1871 1 18 . 1 1 28 28 THR CB C 28 71.515 71.515 70.561 0.954 25293 1872 1 18 . 1 1 28 28 THR H H 28 9.354 9.354 8.673 0.681 25293 1873 1 19 . 1 1 2 2 TRP N N 2 124.464 124.464 126.984 -2.520 25293 1874 1 19 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.734 -0.713 25293 1875 1 19 . 1 1 2 2 TRP CA C 2 59.121 59.121 58.521 0.600 25293 1876 1 19 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.773 -0.084 25293 1877 1 19 . 1 1 2 2 TRP H H 2 8.268 8.268 7.538 0.730 25293 1878 1 19 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.346 0.105 25293 1879 1 19 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.315 1.900 25293 1880 1 19 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.142 -0.391 25293 1881 1 19 . 1 1 4 4 ILE N N 4 126.955 126.955 119.269 7.686 25293 1882 1 19 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.721 0.465 25293 1883 1 19 . 1 1 4 4 ILE CA C 4 60.005 60.005 61.258 -1.254 25293 1884 1 19 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.162 0.247 25293 1885 1 19 . 1 1 4 4 ILE H H 4 8.276 8.276 7.440 0.836 25293 1886 1 19 . 1 1 5 5 CYS N N 5 124.228 124.228 123.462 0.766 25293 1887 1 19 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.966 -0.141 25293 1888 1 19 . 1 1 5 5 CYS CB C 5 43.781 43.781 29.613 14.168 25293 1889 1 19 . 1 1 5 5 CYS H H 5 7.650 7.650 8.150 -0.500 25293 1890 1 19 . 1 1 6 6 LYS N N 6 122.395 122.395 121.770 0.625 25293 1891 1 19 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.710 0.228 25293 1892 1 19 . 1 1 6 6 LYS H H 6 9.212 9.212 8.648 0.564 25293 1893 1 19 . 1 1 7 7 ARG N N 7 122.102 122.102 125.261 -3.159 25293 1894 1 19 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.447 0.264 25293 1895 1 19 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.929 1.792 25293 1896 1 19 . 1 1 7 7 ARG H H 7 8.700 8.700 8.608 0.092 25293 1897 1 19 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.765 -0.450 25293 1898 1 19 . 1 1 8 8 ASN CA C 8 54.388 54.388 53.078 1.310 25293 1899 1 19 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.565 -1.000 25293 1900 1 19 . 1 1 8 8 ASN H H 8 7.794 7.794 8.492 -0.698 25293 1901 1 19 . 1 1 9 9 GLY N N 9 101.289 101.289 106.498 -5.209 25293 1902 1 19 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.539 -0.275 25293 1903 1 19 . 1 1 9 9 GLY H H 9 8.652 8.652 8.542 0.110 25293 1904 1 19 . 1 1 10 10 LEU N N 10 120.783 120.783 118.560 2.223 25293 1905 1 19 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.732 0.323 25293 1906 1 19 . 1 1 10 10 LEU CA C 10 51.535 51.535 50.963 0.572 25293 1907 1 19 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.256 -1.196 25293 1908 1 19 . 1 1 10 10 LEU H H 10 7.791 7.791 7.667 0.124 25293 1909 1 19 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.445 0.612 25293 1910 1 19 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.864 -2.527 25293 1911 1 19 . 1 1 12 12 VAL N N 12 115.299 115.299 118.028 -2.729 25293 1912 1 19 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.319 0.282 25293 1913 1 19 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.378 -1.277 25293 1914 1 19 . 1 1 12 12 VAL H H 12 7.971 7.971 8.168 -0.197 25293 1915 1 19 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.688 -0.357 25293 1916 1 19 . 1 1 13 13 CYS CA C 13 59.105 59.105 58.673 0.432 25293 1917 1 19 . 1 1 13 13 CYS CB C 13 48.573 48.573 28.811 19.762 25293 1918 1 19 . 1 1 13 13 CYS H H 13 8.103 8.103 7.899 0.204 25293 1919 1 19 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.619 0.850 25293 1920 1 19 . 1 1 14 14 GLY H H 14 8.433 8.433 8.636 -0.204 25293 1921 1 19 . 1 1 15 15 GLU N N 15 115.613 115.613 117.801 -2.188 25293 1922 1 19 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.731 -0.064 25293 1923 1 19 . 1 1 15 15 GLU CB C 15 32.554 32.554 31.937 0.617 25293 1924 1 19 . 1 1 15 15 GLU H H 15 7.064 7.064 7.925 -0.861 25293 1925 1 19 . 1 1 16 16 THR N N 16 115.298 115.298 112.865 2.433 25293 1926 1 19 . 1 1 16 16 THR HA H 16 4.525 4.525 4.812 -0.287 25293 1927 1 19 . 1 1 16 16 THR CB C 16 70.742 70.742 69.603 1.139 25293 1928 1 19 . 1 1 16 16 THR H H 16 8.413 8.413 8.289 0.124 25293 1929 1 19 . 1 1 17 17 CYS N N 17 115.927 115.927 123.754 -7.827 25293 1930 1 19 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.769 0.292 25293 1931 1 19 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.208 5.390 25293 1932 1 19 . 1 1 17 17 CYS CB C 17 47.454 47.454 29.235 18.219 25293 1933 1 19 . 1 1 17 17 CYS H H 17 8.239 8.239 8.571 -0.332 25293 1934 1 19 . 1 1 18 18 THR N N 18 117.192 117.192 116.704 0.488 25293 1935 1 19 . 1 1 18 18 THR HA H 18 3.912 3.912 4.755 -0.843 25293 1936 1 19 . 1 1 18 18 THR CA C 18 65.404 65.404 63.204 2.200 25293 1937 1 19 . 1 1 18 18 THR H H 18 8.277 8.277 8.861 -0.584 25293 1938 1 19 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.796 -0.305 25293 1939 1 19 . 1 1 19 19 LEU CB C 19 40.963 40.963 42.089 -1.126 25293 1940 1 19 . 1 1 19 19 LEU H H 19 8.474 8.474 7.694 0.780 25293 1941 1 19 . 1 1 20 20 GLY N N 20 105.833 105.833 108.526 -2.693 25293 1942 1 19 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.439 0.520 25293 1943 1 19 . 1 1 20 20 GLY H H 20 8.123 8.123 8.540 -0.417 25293 1944 1 19 . 1 1 21 21 THR N N 21 111.926 111.926 112.751 -0.825 25293 1945 1 19 . 1 1 21 21 THR HA H 21 4.653 4.653 4.404 0.249 25293 1946 1 19 . 1 1 21 21 THR CB C 21 68.777 68.777 70.529 -1.752 25293 1947 1 19 . 1 1 21 21 THR H H 21 7.658 7.658 7.537 0.121 25293 1948 1 19 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.431 0.210 25293 1949 1 19 . 1 1 22 22 CYS CB C 22 44.757 44.757 28.512 16.245 25293 1950 1 19 . 1 1 22 22 CYS H H 22 8.470 8.470 9.026 -0.556 25293 1951 1 19 . 1 1 23 23 SER N N 23 122.918 122.918 115.703 7.215 25293 1952 1 19 . 1 1 23 23 SER HA H 23 4.423 4.423 4.505 -0.082 25293 1953 1 19 . 1 1 23 23 SER CA C 23 59.914 59.914 59.272 0.642 25293 1954 1 19 . 1 1 23 23 SER CB C 23 64.597 64.597 63.428 1.169 25293 1955 1 19 . 1 1 23 23 SER H H 23 10.973 10.973 8.931 2.042 25293 1956 1 19 . 1 1 24 24 THR N N 24 124.108 124.108 117.012 7.096 25293 1957 1 19 . 1 1 24 24 THR HA H 24 3.979 3.979 4.224 -0.245 25293 1958 1 19 . 1 1 24 24 THR CA C 24 63.960 63.960 63.147 0.813 25293 1959 1 19 . 1 1 24 24 THR CB C 24 68.471 68.471 69.537 -1.066 25293 1960 1 19 . 1 1 24 24 THR H H 24 9.476 9.476 7.659 1.817 25293 1961 1 19 . 1 1 25 25 GLN N N 25 128.543 128.543 120.429 8.114 25293 1962 1 19 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.444 -0.519 25293 1963 1 19 . 1 1 25 25 GLN CA C 25 57.951 57.951 56.063 1.888 25293 1964 1 19 . 1 1 25 25 GLN CB C 25 28.195 28.195 28.531 -0.336 25293 1965 1 19 . 1 1 25 25 GLN H H 25 8.714 8.714 8.559 0.155 25293 1966 1 19 . 1 1 26 26 GLY CA C 26 45.249 45.249 45.351 -0.102 25293 1967 1 19 . 1 1 26 26 GLY H H 26 8.810 8.810 8.122 0.688 25293 1968 1 19 . 1 1 27 27 CYS N N 27 117.687 117.687 118.012 -0.325 25293 1969 1 19 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.775 0.298 25293 1970 1 19 . 1 1 27 27 CYS CB C 27 49.941 49.941 30.338 19.603 25293 1971 1 19 . 1 1 27 27 CYS H H 27 7.697 7.697 7.982 -0.285 25293 1972 1 19 . 1 1 28 28 THR N N 28 115.298 115.298 115.036 0.262 25293 1973 1 19 . 1 1 28 28 THR HA H 28 4.488 4.488 4.677 -0.189 25293 1974 1 19 . 1 1 28 28 THR CA C 28 60.019 60.019 61.061 -1.042 25293 1975 1 19 . 1 1 28 28 THR CB C 28 71.515 71.515 71.335 0.179 25293 1976 1 19 . 1 1 28 28 THR H H 28 9.354 9.354 8.266 1.088 25293 1977 1 20 . 1 1 2 2 TRP N N 2 124.464 124.464 127.536 -3.072 25293 1978 1 20 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.665 -0.644 25293 1979 1 20 . 1 1 2 2 TRP CA C 2 59.121 59.121 57.932 1.188 25293 1980 1 20 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.909 -0.220 25293 1981 1 20 . 1 1 2 2 TRP H H 2 8.268 8.268 7.630 0.638 25293 1982 1 20 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.260 0.191 25293 1983 1 20 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.273 1.942 25293 1984 1 20 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.042 -0.292 25293 1985 1 20 . 1 1 4 4 ILE N N 4 126.955 126.955 118.857 8.098 25293 1986 1 20 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.726 0.460 25293 1987 1 20 . 1 1 4 4 ILE CA C 4 60.005 60.005 60.837 -0.832 25293 1988 1 20 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.562 -0.153 25293 1989 1 20 . 1 1 4 4 ILE H H 4 8.276 8.276 7.588 0.688 25293 1990 1 20 . 1 1 5 5 CYS N N 5 124.228 124.228 123.040 1.188 25293 1991 1 20 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.597 0.228 25293 1992 1 20 . 1 1 5 5 CYS CB C 5 43.781 43.781 30.121 13.660 25293 1993 1 20 . 1 1 5 5 CYS H H 5 7.650 7.650 8.277 -0.627 25293 1994 1 20 . 1 1 6 6 LYS N N 6 122.395 122.395 121.991 0.404 25293 1995 1 20 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.991 -0.053 25293 1996 1 20 . 1 1 6 6 LYS H H 6 9.212 9.212 8.768 0.444 25293 1997 1 20 . 1 1 7 7 ARG N N 7 122.102 122.102 124.614 -2.512 25293 1998 1 20 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.107 0.604 25293 1999 1 20 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.340 2.381 25293 2000 1 20 . 1 1 7 7 ARG H H 7 8.700 8.700 8.691 0.009 25293 2001 1 20 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.790 -0.475 25293 2002 1 20 . 1 1 8 8 ASN CA C 8 54.388 54.388 52.986 1.402 25293 2003 1 20 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.409 -0.844 25293 2004 1 20 . 1 1 8 8 ASN H H 8 7.794 7.794 8.257 -0.463 25293 2005 1 20 . 1 1 9 9 GLY N N 9 101.289 101.289 106.325 -5.036 25293 2006 1 20 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.278 -0.014 25293 2007 1 20 . 1 1 9 9 GLY H H 9 8.652 8.652 8.475 0.177 25293 2008 1 20 . 1 1 10 10 LEU N N 10 120.783 120.783 118.998 1.785 25293 2009 1 20 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.757 0.298 25293 2010 1 20 . 1 1 10 10 LEU CA C 10 51.535 51.535 50.960 0.575 25293 2011 1 20 . 1 1 10 10 LEU CB C 10 44.060 44.060 44.913 -0.853 25293 2012 1 20 . 1 1 10 10 LEU H H 10 7.791 7.791 7.733 0.058 25293 2013 1 20 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.438 0.619 25293 2014 1 20 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.651 -2.314 25293 2015 1 20 . 1 1 12 12 VAL N N 12 115.299 115.299 116.415 -1.116 25293 2016 1 20 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.396 0.205 25293 2017 1 20 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.506 -1.405 25293 2018 1 20 . 1 1 12 12 VAL H H 12 7.971 7.971 8.303 -0.332 25293 2019 1 20 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.719 -0.388 25293 2020 1 20 . 1 1 13 13 CYS CA C 13 59.105 59.105 58.804 0.301 25293 2021 1 20 . 1 1 13 13 CYS CB C 13 48.573 48.573 29.219 19.354 25293 2022 1 20 . 1 1 13 13 CYS H H 13 8.103 8.103 8.066 0.037 25293 2023 1 20 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.928 0.541 25293 2024 1 20 . 1 1 14 14 GLY H H 14 8.433 8.433 8.766 -0.333 25293 2025 1 20 . 1 1 15 15 GLU N N 15 115.613 115.613 117.646 -2.033 25293 2026 1 20 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.508 0.159 25293 2027 1 20 . 1 1 15 15 GLU CB C 15 32.554 32.554 29.753 2.801 25293 2028 1 20 . 1 1 15 15 GLU H H 15 7.064 7.064 8.100 -1.036 25293 2029 1 20 . 1 1 16 16 THR N N 16 115.298 115.298 113.873 1.425 25293 2030 1 20 . 1 1 16 16 THR HA H 16 4.525 4.525 4.236 0.289 25293 2031 1 20 . 1 1 16 16 THR CB C 16 70.742 70.742 68.446 2.296 25293 2032 1 20 . 1 1 16 16 THR H H 16 8.413 8.413 8.012 0.401 25293 2033 1 20 . 1 1 17 17 CYS N N 17 115.927 115.927 124.666 -8.739 25293 2034 1 20 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.642 0.419 25293 2035 1 20 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.908 4.689 25293 2036 1 20 . 1 1 17 17 CYS CB C 17 47.454 47.454 28.613 18.841 25293 2037 1 20 . 1 1 17 17 CYS H H 17 8.239 8.239 8.307 -0.068 25293 2038 1 20 . 1 1 18 18 THR N N 18 117.192 117.192 115.259 1.933 25293 2039 1 20 . 1 1 18 18 THR HA H 18 3.912 3.912 4.772 -0.860 25293 2040 1 20 . 1 1 18 18 THR CA C 18 65.404 65.404 63.154 2.250 25293 2041 1 20 . 1 1 18 18 THR H H 18 8.277 8.277 8.949 -0.672 25293 2042 1 20 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.951 -0.460 25293 2043 1 20 . 1 1 19 19 LEU CB C 19 40.963 40.963 42.018 -1.055 25293 2044 1 20 . 1 1 19 19 LEU H H 19 8.474 8.474 7.733 0.741 25293 2045 1 20 . 1 1 20 20 GLY N N 20 105.833 105.833 108.010 -2.177 25293 2046 1 20 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.605 0.354 25293 2047 1 20 . 1 1 20 20 GLY H H 20 8.123 8.123 8.425 -0.302 25293 2048 1 20 . 1 1 21 21 THR N N 21 111.926 111.926 110.967 0.959 25293 2049 1 20 . 1 1 21 21 THR HA H 21 4.653 4.653 4.386 0.267 25293 2050 1 20 . 1 1 21 21 THR CB C 21 68.777 68.777 69.962 -1.185 25293 2051 1 20 . 1 1 21 21 THR H H 21 7.658 7.658 7.574 0.084 25293 2052 1 20 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.470 0.171 25293 2053 1 20 . 1 1 22 22 CYS CB C 22 44.757 44.757 28.497 16.260 25293 2054 1 20 . 1 1 22 22 CYS H H 22 8.470 8.470 8.756 -0.286 25293 2055 1 20 . 1 1 23 23 SER N N 23 122.918 122.918 114.829 8.089 25293 2056 1 20 . 1 1 23 23 SER HA H 23 4.423 4.423 4.665 -0.242 25293 2057 1 20 . 1 1 23 23 SER CA C 23 59.914 59.914 58.900 1.014 25293 2058 1 20 . 1 1 23 23 SER CB C 23 64.597 64.597 64.303 0.294 25293 2059 1 20 . 1 1 23 23 SER H H 23 10.973 10.973 8.991 1.982 25293 2060 1 20 . 1 1 24 24 THR N N 24 124.108 124.108 115.714 8.394 25293 2061 1 20 . 1 1 24 24 THR HA H 24 3.979 3.979 4.440 -0.461 25293 2062 1 20 . 1 1 24 24 THR CA C 24 63.960 63.960 60.996 2.964 25293 2063 1 20 . 1 1 24 24 THR CB C 24 68.471 68.471 68.887 -0.416 25293 2064 1 20 . 1 1 24 24 THR H H 24 9.476 9.476 7.925 1.551 25293 2065 1 20 . 1 1 25 25 GLN N N 25 128.543 128.543 118.024 10.519 25293 2066 1 20 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.051 -0.126 25293 2067 1 20 . 1 1 25 25 GLN CA C 25 57.951 57.951 56.860 1.091 25293 2068 1 20 . 1 1 25 25 GLN CB C 25 28.195 28.195 26.955 1.240 25293 2069 1 20 . 1 1 25 25 GLN H H 25 8.714 8.714 8.533 0.181 25293 2070 1 20 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.986 0.263 25293 2071 1 20 . 1 1 26 26 GLY H H 26 8.810 8.810 8.468 0.342 25293 2072 1 20 . 1 1 27 27 CYS N N 27 117.687 117.687 117.221 0.466 25293 2073 1 20 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.736 0.337 25293 2074 1 20 . 1 1 27 27 CYS CB C 27 49.941 49.941 31.527 18.414 25293 2075 1 20 . 1 1 27 27 CYS H H 27 7.697 7.697 7.814 -0.117 25293 2076 1 20 . 1 1 28 28 THR N N 28 115.298 115.298 115.252 0.046 25293 2077 1 20 . 1 1 28 28 THR HA H 28 4.488 4.488 4.621 -0.133 25293 2078 1 20 . 1 1 28 28 THR CA C 28 60.019 60.019 61.203 -1.184 25293 2079 1 20 . 1 1 28 28 THR CB C 28 71.515 71.515 70.137 1.378 25293 2080 1 20 . 1 1 28 28 THR H H 28 9.354 9.354 8.473 0.881 25293 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 19 4.274 -0.225 4.385 25293 2 1 1 "Average Difference" HA 31 0.386 -0.059 0.387 25293 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25293 4 1 1 "Average Difference" CA 16 1.854 -0.937 1.652 25293 5 1 1 "Average Difference" CB 21 9.187 -4.154 8.397 25293 6 1 1 "Average Difference" HN 25 0.746 -0.205 0.732 25293 7 1 2 "Average Difference" N 19 4.178 -0.239 4.285 25293 8 1 2 "Average Difference" HA 31 0.385 -0.071 0.385 25293 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25293 10 1 2 "Average Difference" CA 16 1.774 -0.908 1.574 25293 11 1 2 "Average Difference" CB 21 9.123 -4.279 8.257 25293 12 1 2 "Average Difference" HN 25 0.705 -0.156 0.701 25293 13 1 3 "Average Difference" N 19 4.361 -0.437 4.458 25293 14 1 3 "Average Difference" HA 31 0.402 -0.023 0.408 25293 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25293 16 1 3 "Average Difference" CA 16 1.822 -0.883 1.645 25293 17 1 3 "Average Difference" CB 21 8.938 -4.032 8.174 25293 18 1 3 "Average Difference" HN 25 0.749 -0.204 0.736 25293 19 1 4 "Average Difference" N 19 4.807 -0.592 4.901 25293 20 1 4 "Average Difference" HA 31 0.385 -0.062 0.386 25293 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25293 22 1 4 "Average Difference" CA 16 1.796 -0.923 1.592 25293 23 1 4 "Average Difference" CB 21 9.087 -4.258 8.226 25293 24 1 4 "Average Difference" HN 25 0.751 -0.207 0.737 25293 25 1 5 "Average Difference" N 19 4.176 -0.263 4.282 25293 26 1 5 "Average Difference" HA 31 0.395 -0.060 0.397 25293 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25293 28 1 5 "Average Difference" CA 16 1.896 -0.965 1.685 25293 29 1 5 "Average Difference" CB 21 9.285 -4.194 8.488 25293 30 1 5 "Average Difference" HN 25 0.745 -0.212 0.729 25293 31 1 6 "Average Difference" N 19 4.294 -0.517 4.380 25293 32 1 6 "Average Difference" HA 31 0.382 -0.048 0.385 25293 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25293 34 1 6 "Average Difference" CA 16 1.869 -0.908 1.687 25293 35 1 6 "Average Difference" CB 21 9.060 -4.068 8.296 25293 36 1 6 "Average Difference" HN 25 0.740 -0.200 0.727 25293 37 1 7 "Average Difference" N 19 4.382 -0.519 4.470 25293 38 1 7 "Average Difference" HA 31 0.385 -0.083 0.382 25293 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25293 40 1 7 "Average Difference" CA 16 1.810 -0.887 1.630 25293 41 1 7 "Average Difference" CB 21 9.210 -4.253 8.371 25293 42 1 7 "Average Difference" HN 25 0.685 -0.120 0.688 25293 43 1 8 "Average Difference" N 19 4.231 -0.315 4.335 25293 44 1 8 "Average Difference" HA 31 0.397 -0.034 0.402 25293 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25293 46 1 8 "Average Difference" CA 16 1.698 -0.903 1.486 25293 47 1 8 "Average Difference" CB 21 8.724 -4.174 7.849 25293 48 1 8 "Average Difference" HN 25 0.744 -0.193 0.733 25293 49 1 9 "Average Difference" N 19 4.342 0.136 4.459 25293 50 1 9 "Average Difference" HA 31 0.399 -0.072 0.399 25293 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25293 52 1 9 "Average Difference" CA 16 1.746 -0.946 1.516 25293 53 1 9 "Average Difference" CB 21 9.134 -4.317 8.248 25293 54 1 9 "Average Difference" HN 25 0.736 -0.178 0.729 25293 55 1 10 "Average Difference" N 19 4.395 -0.251 4.508 25293 56 1 10 "Average Difference" HA 31 0.393 -0.073 0.393 25293 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25293 58 1 10 "Average Difference" CA 16 1.896 -1.013 1.655 25293 59 1 10 "Average Difference" CB 21 9.112 -4.270 8.249 25293 60 1 10 "Average Difference" HN 25 0.697 -0.161 0.693 25293 61 1 11 "Average Difference" N 19 4.152 -0.458 4.239 25293 62 1 11 "Average Difference" HA 31 0.386 -0.064 0.387 25293 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25293 64 1 11 "Average Difference" CA 16 1.840 -0.881 1.668 25293 65 1 11 "Average Difference" CB 21 9.097 -4.113 8.315 25293 66 1 11 "Average Difference" HN 25 0.749 -0.268 0.713 25293 67 1 12 "Average Difference" N 19 4.798 -0.578 4.894 25293 68 1 12 "Average Difference" HA 31 0.377 -0.074 0.376 25293 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25293 70 1 12 "Average Difference" CA 16 1.824 -1.057 1.535 25293 71 1 12 "Average Difference" CB 21 8.924 -4.186 8.076 25293 72 1 12 "Average Difference" HN 25 0.700 -0.163 0.695 25293 73 1 13 "Average Difference" N 19 4.165 -0.546 4.242 25293 74 1 13 "Average Difference" HA 31 0.399 -0.027 0.405 25293 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25293 76 1 13 "Average Difference" CA 16 1.853 -0.905 1.670 25293 77 1 13 "Average Difference" CB 21 8.875 -4.044 8.095 25293 78 1 13 "Average Difference" HN 25 0.774 -0.252 0.747 25293 79 1 14 "Average Difference" N 19 4.666 -0.521 4.764 25293 80 1 14 "Average Difference" HA 31 0.385 -0.071 0.385 25293 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25293 82 1 14 "Average Difference" CA 16 1.810 -0.947 1.592 25293 83 1 14 "Average Difference" CB 21 9.160 -4.267 8.306 25293 84 1 14 "Average Difference" HN 25 0.736 -0.207 0.721 25293 85 1 15 "Average Difference" N 19 4.284 -0.317 4.389 25293 86 1 15 "Average Difference" HA 31 0.407 -0.071 0.407 25293 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25293 88 1 15 "Average Difference" CA 16 1.841 -1.002 1.596 25293 89 1 15 "Average Difference" CB 21 9.082 -4.329 8.181 25293 90 1 15 "Average Difference" HN 25 0.760 -0.171 0.756 25293 91 1 16 "Average Difference" N 19 4.289 -0.463 4.381 25293 92 1 16 "Average Difference" HA 31 0.398 -0.085 0.395 25293 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25293 94 1 16 "Average Difference" CA 16 1.878 -0.918 1.692 25293 95 1 16 "Average Difference" CB 21 9.370 -4.395 8.480 25293 96 1 16 "Average Difference" HN 25 0.691 -0.145 0.690 25293 97 1 17 "Average Difference" N 19 4.779 -0.912 4.820 25293 98 1 17 "Average Difference" HA 31 0.363 0.010 0.369 25293 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25293 100 1 17 "Average Difference" CA 16 1.775 -1.051 1.476 25293 101 1 17 "Average Difference" CB 21 8.744 -4.040 7.946 25293 102 1 17 "Average Difference" HN 25 0.697 -0.179 0.687 25293 103 1 18 "Average Difference" N 19 4.327 -0.627 4.398 25293 104 1 18 "Average Difference" HA 31 0.404 -0.061 0.406 25293 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25293 106 1 18 "Average Difference" CA 16 1.846 -0.945 1.637 25293 107 1 18 "Average Difference" CB 21 9.199 -4.127 8.425 25293 108 1 18 "Average Difference" HN 25 0.740 -0.179 0.733 25293 109 1 19 "Average Difference" N 19 4.380 -0.496 4.471 25293 110 1 19 "Average Difference" HA 31 0.375 -0.018 0.381 25293 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25293 112 1 19 "Average Difference" CA 16 1.740 -0.903 1.537 25293 113 1 19 "Average Difference" CB 21 8.712 -3.923 7.971 25293 114 1 19 "Average Difference" HN 25 0.748 -0.194 0.738 25293 115 1 20 "Average Difference" N 19 4.874 -0.980 4.905 25293 116 1 20 "Average Difference" HA 31 0.390 -0.053 0.392 25293 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25293 118 1 20 "Average Difference" CA 16 1.736 -1.034 1.440 25293 119 1 20 "Average Difference" CB 21 8.601 -4.199 7.692 25293 120 1 20 "Average Difference" HN 25 0.682 -0.159 0.677 25293 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 25293 _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 TRP N N 2 124.464 124.464 126.490 -2.026 25293 2 1 . 1 1 2 2 TRP HA H 2 4.021 4.021 4.664 -0.643 25293 3 1 . 1 1 2 2 TRP CA C 2 59.121 59.121 58.108 1.013 25293 4 1 . 1 1 2 2 TRP CB C 2 29.689 29.689 29.791 -0.102 25293 5 1 . 1 1 2 2 TRP H H 2 8.268 8.268 7.571 0.697 25293 6 1 . 1 1 3 3 PRO HA H 3 3.451 3.451 3.281 0.170 25293 7 1 . 1 1 3 3 PRO CA C 3 65.215 65.215 63.291 1.925 25293 8 1 . 1 1 3 3 PRO CB C 3 31.750 31.750 32.056 -0.306 25293 9 1 . 1 1 4 4 ILE N N 4 126.955 126.955 119.046 7.909 25293 10 1 . 1 1 4 4 ILE HA H 4 4.186 4.186 3.747 0.439 25293 11 1 . 1 1 4 4 ILE CA C 4 60.005 60.005 61.061 -1.056 25293 12 1 . 1 1 4 4 ILE CB C 4 37.409 37.409 37.406 0.003 25293 13 1 . 1 1 4 4 ILE H H 4 8.276 8.276 7.474 0.802 25293 14 1 . 1 1 5 5 CYS N N 5 124.228 124.228 123.468 0.760 25293 15 1 . 1 1 5 5 CYS HA H 5 4.825 4.825 4.673 0.152 25293 16 1 . 1 1 5 5 CYS CB C 5 43.781 43.781 29.899 13.882 25293 17 1 . 1 1 5 5 CYS H H 5 7.650 7.650 8.225 -0.575 25293 18 1 . 1 1 6 6 LYS N N 6 122.395 122.395 122.036 0.358 25293 19 1 . 1 1 6 6 LYS HA H 6 4.938 4.938 4.943 -0.005 25293 20 1 . 1 1 6 6 LYS H H 6 9.212 9.212 8.473 0.739 25293 21 1 . 1 1 7 7 ARG N N 7 122.102 122.102 125.278 -3.176 25293 22 1 . 1 1 7 7 ARG HA H 7 4.711 4.711 4.232 0.479 25293 23 1 . 1 1 7 7 ARG CB C 7 32.721 32.721 30.718 2.003 25293 24 1 . 1 1 7 7 ARG H H 7 8.700 8.700 8.613 0.087 25293 25 1 . 1 1 8 8 ASN HA H 8 4.315 4.315 4.789 -0.474 25293 26 1 . 1 1 8 8 ASN CA C 8 54.388 54.388 53.023 1.365 25293 27 1 . 1 1 8 8 ASN CB C 8 37.565 37.565 38.553 -0.988 25293 28 1 . 1 1 8 8 ASN H H 8 7.794 7.794 8.432 -0.638 25293 29 1 . 1 1 9 9 GLY N N 9 101.289 101.289 106.488 -5.199 25293 30 1 . 1 1 9 9 GLY CA C 9 45.264 45.264 45.292 -0.028 25293 31 1 . 1 1 9 9 GLY H H 9 8.652 8.652 8.498 0.154 25293 32 1 . 1 1 10 10 LEU N N 10 120.783 120.783 118.571 2.212 25293 33 1 . 1 1 10 10 LEU HA H 10 5.055 5.055 4.720 0.335 25293 34 1 . 1 1 10 10 LEU CA C 10 51.535 51.535 51.066 0.469 25293 35 1 . 1 1 10 10 LEU CB C 10 44.060 44.060 45.234 -1.174 25293 36 1 . 1 1 10 10 LEU H H 10 7.791 7.791 7.687 0.104 25293 37 1 . 1 1 11 11 PRO HA H 11 5.057 5.057 4.458 0.599 25293 38 1 . 1 1 11 11 PRO CB C 11 28.337 28.337 30.683 -2.346 25293 39 1 . 1 1 12 12 VAL N N 12 115.299 115.299 117.068 -1.769 25293 40 1 . 1 1 12 12 VAL HA H 12 4.601 4.601 4.305 0.296 25293 41 1 . 1 1 12 12 VAL CB C 12 31.101 31.101 32.578 -1.477 25293 42 1 . 1 1 12 12 VAL H H 12 7.971 7.971 8.120 -0.149 25293 43 1 . 1 1 13 13 CYS HA H 13 4.331 4.331 4.580 -0.249 25293 44 1 . 1 1 13 13 CYS CA C 13 59.105 59.105 59.076 0.028 25293 45 1 . 1 1 13 13 CYS CB C 13 48.573 48.573 27.990 20.583 25293 46 1 . 1 1 13 13 CYS H H 13 8.103 8.103 8.028 0.075 25293 47 1 . 1 1 14 14 GLY CA C 14 46.469 46.469 45.803 0.666 25293 48 1 . 1 1 14 14 GLY H H 14 8.433 8.433 8.689 -0.256 25293 49 1 . 1 1 15 15 GLU N N 15 115.613 115.613 117.461 -1.848 25293 50 1 . 1 1 15 15 GLU HA H 15 4.667 4.667 4.594 0.073 25293 51 1 . 1 1 15 15 GLU CB C 15 32.554 32.554 31.297 1.257 25293 52 1 . 1 1 15 15 GLU H H 15 7.064 7.064 8.000 -0.936 25293 53 1 . 1 1 16 16 THR N N 16 115.298 115.298 113.147 2.151 25293 54 1 . 1 1 16 16 THR HA H 16 4.525 4.525 4.553 -0.028 25293 55 1 . 1 1 16 16 THR CB C 16 70.742 70.742 69.167 1.575 25293 56 1 . 1 1 16 16 THR H H 16 8.413 8.413 8.070 0.343 25293 57 1 . 1 1 17 17 CYS N N 17 115.927 115.927 124.238 -8.311 25293 58 1 . 1 1 17 17 CYS HA H 17 5.061 5.061 4.732 0.329 25293 59 1 . 1 1 17 17 CYS CA C 17 62.598 62.598 57.283 5.315 25293 60 1 . 1 1 17 17 CYS CB C 17 47.454 47.454 29.094 18.360 25293 61 1 . 1 1 17 17 CYS H H 17 8.239 8.239 8.417 -0.178 25293 62 1 . 1 1 18 18 THR N N 18 117.192 117.192 115.560 1.632 25293 63 1 . 1 1 18 18 THR HA H 18 3.912 3.912 4.782 -0.870 25293 64 1 . 1 1 18 18 THR CA C 18 65.404 65.404 63.221 2.183 25293 65 1 . 1 1 18 18 THR H H 18 8.277 8.277 8.850 -0.573 25293 66 1 . 1 1 19 19 LEU HA H 19 4.491 4.491 4.872 -0.381 25293 67 1 . 1 1 19 19 LEU CB C 19 40.963 40.963 41.987 -1.024 25293 68 1 . 1 1 19 19 LEU H H 19 8.474 8.474 7.759 0.715 25293 69 1 . 1 1 20 20 GLY N N 20 105.833 105.833 108.090 -2.256 25293 70 1 . 1 1 20 20 GLY CA C 20 45.959 45.959 45.608 0.351 25293 71 1 . 1 1 20 20 GLY H H 20 8.123 8.123 8.411 -0.288 25293 72 1 . 1 1 21 21 THR N N 21 111.926 111.926 111.862 0.064 25293 73 1 . 1 1 21 21 THR HA H 21 4.653 4.653 4.388 0.265 25293 74 1 . 1 1 21 21 THR CB C 21 68.777 68.777 70.133 -1.356 25293 75 1 . 1 1 21 21 THR H H 21 7.658 7.658 7.567 0.091 25293 76 1 . 1 1 22 22 CYS HA H 22 4.641 4.641 4.530 0.111 25293 77 1 . 1 1 22 22 CYS CB C 22 44.757 44.757 27.900 16.857 25293 78 1 . 1 1 22 22 CYS H H 22 8.470 8.470 8.748 -0.278 25293 79 1 . 1 1 23 23 SER N N 23 122.918 122.918 117.364 5.554 25293 80 1 . 1 1 23 23 SER HA H 23 4.423 4.423 4.445 -0.022 25293 81 1 . 1 1 23 23 SER CA C 23 59.914 59.914 59.891 0.023 25293 82 1 . 1 1 23 23 SER CB C 23 64.597 64.597 63.608 0.989 25293 83 1 . 1 1 23 23 SER H H 23 10.973 10.973 8.761 2.212 25293 84 1 . 1 1 24 24 THR N N 24 124.108 124.108 115.675 8.433 25293 85 1 . 1 1 24 24 THR HA H 24 3.979 3.979 4.359 -0.380 25293 86 1 . 1 1 24 24 THR CA C 24 63.960 63.960 61.957 2.003 25293 87 1 . 1 1 24 24 THR CB C 24 68.471 68.471 69.536 -1.065 25293 88 1 . 1 1 24 24 THR H H 24 9.476 9.476 7.928 1.548 25293 89 1 . 1 1 25 25 GLN N N 25 128.543 128.543 121.267 7.276 25293 90 1 . 1 1 25 25 GLN HA H 25 3.925 3.925 4.356 -0.431 25293 91 1 . 1 1 25 25 GLN CA C 25 57.951 57.951 56.058 1.893 25293 92 1 . 1 1 25 25 GLN CB C 25 28.195 28.195 28.146 0.049 25293 93 1 . 1 1 25 25 GLN H H 25 8.714 8.714 8.512 0.202 25293 94 1 . 1 1 26 26 GLY CA C 26 45.249 45.249 44.978 0.271 25293 95 1 . 1 1 26 26 GLY H H 26 8.810 8.810 8.408 0.402 25293 96 1 . 1 1 27 27 CYS N N 27 117.687 117.687 119.498 -1.811 25293 97 1 . 1 1 27 27 CYS HA H 27 5.073 5.073 4.568 0.505 25293 98 1 . 1 1 27 27 CYS CB C 27 49.941 49.941 28.847 21.094 25293 99 1 . 1 1 27 27 CYS H H 27 7.697 7.697 8.074 -0.377 25293 100 1 . 1 1 28 28 THR N N 28 115.298 115.298 116.586 -1.288 25293 101 1 . 1 1 28 28 THR HA H 28 4.488 4.488 4.643 -0.155 25293 102 1 . 1 1 28 28 THR CA C 28 60.019 60.019 61.306 -1.287 25293 103 1 . 1 1 28 28 THR CB C 28 71.515 71.515 70.526 0.989 25293 104 1 . 1 1 28 28 THR H H 28 9.354 9.354 8.587 0.767 25293 stop_ save_