data_25694 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25694 _Entry.PDB_ID 2N55 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 25694 _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 0 0 MET HA H 0 4.501 4.501 5.086 -0.585 25694 2 1 1 . 1 1 0 0 MET C C 0 176.102 176.102 174.950 1.152 25694 3 1 1 . 1 1 0 0 MET CA C 0 55.781 55.781 54.472 1.309 25694 4 1 1 . 1 1 0 0 MET CB C 0 33.455 33.455 36.022 -2.567 25694 5 1 1 . 1 1 1 1 LYS N N 1 124.708 124.708 122.005 2.703 25694 6 1 1 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.751 -0.113 25694 7 1 1 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.660 -0.173 25694 8 1 1 . 1 1 1 1 LYS CB C 1 32.808 32.808 33.935 -1.127 25694 9 1 1 . 1 1 1 1 LYS H H 1 8.503 8.503 8.249 0.254 25694 10 1 1 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.458 0.026 25694 11 1 1 . 1 1 2 2 PRO C C 2 177.031 177.031 177.777 -0.746 25694 12 1 1 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.578 0.622 25694 13 1 1 . 1 1 2 2 PRO CB C 2 32.161 32.161 32.374 -0.214 25694 14 1 1 . 1 1 3 3 VAL N N 3 120.641 120.641 123.738 -3.097 25694 15 1 1 . 1 1 3 3 VAL HA H 3 4.119 4.119 3.802 0.317 25694 16 1 1 . 1 1 3 3 VAL C C 3 176.393 176.393 176.516 -0.123 25694 17 1 1 . 1 1 3 3 VAL CA C 3 62.495 62.495 64.590 -2.095 25694 18 1 1 . 1 1 3 3 VAL CB C 3 33.100 33.100 31.654 1.446 25694 19 1 1 . 1 1 3 3 VAL H H 3 8.290 8.290 8.678 -0.388 25694 20 1 1 . 1 1 4 4 SER N N 4 119.097 119.097 110.842 8.255 25694 21 1 1 . 1 1 4 4 SER HA H 4 4.470 4.470 4.171 0.299 25694 22 1 1 . 1 1 4 4 SER C C 4 174.617 174.617 174.958 -0.341 25694 23 1 1 . 1 1 4 4 SER CA C 4 58.369 58.369 58.707 -0.338 25694 24 1 1 . 1 1 4 4 SER CB C 4 64.187 64.187 63.412 0.775 25694 25 1 1 . 1 1 4 4 SER H H 4 8.349 8.349 7.874 0.475 25694 26 1 1 . 1 1 5 5 LEU N N 5 124.723 124.723 117.315 7.408 25694 27 1 1 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.211 0.169 25694 28 1 1 . 1 1 5 5 LEU C C 5 177.355 177.355 175.646 1.709 25694 29 1 1 . 1 1 5 5 LEU CA C 5 55.388 55.388 56.136 -0.748 25694 30 1 1 . 1 1 5 5 LEU CB C 5 42.515 42.515 41.920 0.595 25694 31 1 1 . 1 1 5 5 LEU H H 5 8.339 8.339 8.591 -0.252 25694 32 1 1 . 1 1 6 6 SER N N 6 115.926 115.926 116.148 -0.222 25694 33 1 1 . 1 1 6 6 SER HA H 6 4.414 4.414 4.498 -0.084 25694 34 1 1 . 1 1 6 6 SER C C 6 174.235 174.235 173.756 0.479 25694 35 1 1 . 1 1 6 6 SER CA C 6 58.369 58.369 59.272 -0.903 25694 36 1 1 . 1 1 6 6 SER CB C 6 64.187 64.187 62.694 1.493 25694 37 1 1 . 1 1 6 6 SER H H 6 8.199 8.199 7.851 0.348 25694 38 1 1 . 1 1 7 7 TYR N N 7 122.124 122.124 124.561 -2.437 25694 39 1 1 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.819 -0.243 25694 40 1 1 . 1 1 7 7 TYR C C 7 175.530 175.530 174.369 1.161 25694 41 1 1 . 1 1 7 7 TYR CA C 7 58.008 58.008 57.781 0.227 25694 42 1 1 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.716 0.253 25694 43 1 1 . 1 1 7 7 TYR H H 7 8.049 8.049 7.849 0.200 25694 44 1 1 . 1 1 8 8 ARG N N 8 121.947 121.947 119.973 1.974 25694 45 1 1 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.166 0.160 25694 46 1 1 . 1 1 8 8 ARG C C 8 175.845 175.845 174.997 0.848 25694 47 1 1 . 1 1 8 8 ARG CA C 8 56.104 56.104 55.482 0.622 25694 48 1 1 . 1 1 8 8 ARG CB C 8 31.100 31.100 30.805 0.295 25694 49 1 1 . 1 1 8 8 ARG H H 8 8.177 8.177 8.167 0.010 25694 50 1 1 . 1 1 9 9 CYS N N 9 120.943 120.943 119.691 1.252 25694 51 1 1 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.816 0.138 25694 52 1 1 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.215 -3.087 25694 53 1 1 . 1 1 9 9 CYS CB C 9 40.218 40.218 28.834 11.384 25694 54 1 1 . 1 1 9 9 CYS H H 9 8.173 8.173 8.151 0.022 25694 55 1 1 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.489 -0.137 25694 56 1 1 . 1 1 10 10 PRO C C 10 177.347 177.347 175.731 1.616 25694 57 1 1 . 1 1 10 10 PRO CA C 10 64.859 64.859 64.165 0.694 25694 58 1 1 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.221 0.287 25694 59 1 1 . 1 1 11 11 CYS N N 11 114.096 114.096 113.529 0.567 25694 60 1 1 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.780 -0.055 25694 61 1 1 . 1 1 11 11 CYS CA C 11 53.429 53.429 56.839 -3.410 25694 62 1 1 . 1 1 11 11 CYS CB C 11 39.279 39.279 29.544 9.735 25694 63 1 1 . 1 1 11 11 CYS H H 11 8.232 8.232 7.615 0.617 25694 64 1 1 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.109 -0.040 25694 65 1 1 . 1 1 12 12 ARG C C 12 175.106 175.106 174.883 0.223 25694 66 1 1 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.617 0.383 25694 67 1 1 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.254 1.246 25694 68 1 1 . 1 1 13 13 PHE N N 13 116.259 116.259 119.051 -2.792 25694 69 1 1 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.384 0.246 25694 70 1 1 . 1 1 13 13 PHE C C 13 174.227 174.227 174.046 0.181 25694 71 1 1 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.433 -0.462 25694 72 1 1 . 1 1 13 13 PHE CB C 13 41.059 41.059 41.182 -0.124 25694 73 1 1 . 1 1 13 13 PHE H H 13 7.572 7.572 7.206 0.366 25694 74 1 1 . 1 1 14 14 PHE N N 14 119.623 119.623 119.625 -0.002 25694 75 1 1 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.785 0.151 25694 76 1 1 . 1 1 14 14 PHE C C 14 175.496 175.496 174.859 0.637 25694 77 1 1 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.535 -0.388 25694 78 1 1 . 1 1 14 14 PHE CB C 14 41.544 41.544 42.441 -0.897 25694 79 1 1 . 1 1 14 14 PHE H H 14 8.450 8.450 8.467 -0.017 25694 80 1 1 . 1 1 15 15 GLU N N 15 122.147 122.147 122.820 -0.673 25694 81 1 1 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.625 0.010 25694 82 1 1 . 1 1 15 15 GLU C C 15 176.990 176.990 176.862 0.128 25694 83 1 1 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.560 1.220 25694 84 1 1 . 1 1 15 15 GLU CB C 15 31.109 31.109 30.098 1.011 25694 85 1 1 . 1 1 15 15 GLU H H 15 8.956 8.956 9.211 -0.255 25694 86 1 1 . 1 1 16 16 SER N N 16 119.943 119.943 121.229 -1.286 25694 87 1 1 . 1 1 16 16 SER HA H 16 4.598 4.598 4.307 0.291 25694 88 1 1 . 1 1 16 16 SER C C 16 174.385 174.385 174.352 0.033 25694 89 1 1 . 1 1 16 16 SER CA C 16 59.799 59.799 59.566 0.233 25694 90 1 1 . 1 1 16 16 SER CB C 16 64.517 64.517 63.766 0.751 25694 91 1 1 . 1 1 16 16 SER H H 16 8.943 8.943 8.998 -0.055 25694 92 1 1 . 1 1 17 17 HIS N N 17 119.124 119.124 115.964 3.160 25694 93 1 1 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.802 -0.102 25694 94 1 1 . 1 1 17 17 HIS C C 17 174.567 174.567 173.591 0.976 25694 95 1 1 . 1 1 17 17 HIS CA C 17 56.751 56.751 53.585 3.166 25694 96 1 1 . 1 1 17 17 HIS CB C 17 29.896 29.896 30.066 -0.170 25694 97 1 1 . 1 1 17 17 HIS H H 17 8.649 8.649 8.569 0.080 25694 98 1 1 . 1 1 18 18 VAL N N 18 121.960 121.960 122.454 -0.494 25694 99 1 1 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.289 -0.132 25694 100 1 1 . 1 1 18 18 VAL C C 18 175.140 175.140 174.953 0.187 25694 101 1 1 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.977 -0.049 25694 102 1 1 . 1 1 18 18 VAL CB C 18 33.700 33.700 32.574 1.126 25694 103 1 1 . 1 1 18 18 VAL H H 18 7.876 7.876 8.083 -0.207 25694 104 1 1 . 1 1 19 19 ALA N N 19 132.226 132.226 129.391 2.835 25694 105 1 1 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.741 -0.226 25694 106 1 1 . 1 1 19 19 ALA C C 19 178.060 178.060 177.539 0.521 25694 107 1 1 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.695 0.805 25694 108 1 1 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.370 -1.486 25694 109 1 1 . 1 1 19 19 ALA H H 19 8.843 8.843 8.439 0.404 25694 110 1 1 . 1 1 20 20 ARG N N 20 125.791 125.791 124.392 1.399 25694 111 1 1 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.145 -0.308 25694 112 1 1 . 1 1 20 20 ARG C C 20 178.459 178.459 177.658 0.801 25694 113 1 1 . 1 1 20 20 ARG CA C 20 58.639 58.639 57.711 0.928 25694 114 1 1 . 1 1 20 20 ARG CB C 20 28.925 28.925 28.937 -0.012 25694 115 1 1 . 1 1 20 20 ARG H H 20 8.196 8.196 8.400 -0.204 25694 116 1 1 . 1 1 21 21 ALA N N 21 117.396 117.396 120.054 -2.658 25694 117 1 1 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.056 0.026 25694 118 1 1 . 1 1 21 21 ALA C C 21 177.745 177.745 177.768 -0.023 25694 119 1 1 . 1 1 21 21 ALA CA C 21 53.809 53.809 54.395 -0.586 25694 120 1 1 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.651 0.233 25694 121 1 1 . 1 1 21 21 ALA H H 21 8.309 8.309 8.176 0.133 25694 122 1 1 . 1 1 22 22 ASN N N 22 113.201 113.201 113.018 0.183 25694 123 1 1 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.774 0.200 25694 124 1 1 . 1 1 22 22 ASN C C 22 174.999 174.999 174.091 0.908 25694 125 1 1 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.914 -0.324 25694 126 1 1 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.769 0.132 25694 127 1 1 . 1 1 22 22 ASN H H 22 7.796 7.796 8.212 -0.416 25694 128 1 1 . 1 1 23 23 VAL N N 23 117.829 117.829 113.666 4.163 25694 129 1 1 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.973 -0.485 25694 130 1 1 . 1 1 23 23 VAL C C 23 174.393 174.393 175.882 -1.489 25694 131 1 1 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.219 2.031 25694 132 1 1 . 1 1 23 23 VAL CB C 23 33.700 33.700 35.107 -1.407 25694 133 1 1 . 1 1 23 23 VAL H H 23 7.477 7.477 7.219 0.258 25694 134 1 1 . 1 1 24 24 LYS N N 24 123.962 123.962 123.812 0.150 25694 135 1 1 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.441 0.039 25694 136 1 1 . 1 1 24 24 LYS C C 24 175.090 175.090 176.443 -1.353 25694 137 1 1 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.791 -0.687 25694 138 1 1 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.624 1.772 25694 139 1 1 . 1 1 24 24 LYS H H 24 9.276 9.276 8.829 0.447 25694 140 1 1 . 1 1 25 25 HIS N N 25 115.921 115.921 119.048 -3.127 25694 141 1 1 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.893 -0.190 25694 142 1 1 . 1 1 25 25 HIS C C 25 173.364 173.364 172.562 0.802 25694 143 1 1 . 1 1 25 25 HIS CA C 25 55.781 55.781 56.352 -0.572 25694 144 1 1 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.058 0.103 25694 145 1 1 . 1 1 25 25 HIS H H 25 7.964 7.964 7.614 0.350 25694 146 1 1 . 1 1 26 26 LEU N N 26 122.215 122.215 125.727 -3.512 25694 147 1 1 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.077 -0.109 25694 148 1 1 . 1 1 26 26 LEU C C 26 175.720 175.720 175.720 0.000 25694 149 1 1 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.464 1.993 25694 150 1 1 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.830 -0.236 25694 151 1 1 . 1 1 26 26 LEU H H 26 8.076 8.076 8.490 -0.414 25694 152 1 1 . 1 1 27 27 LYS N N 27 122.738 122.738 118.626 4.112 25694 153 1 1 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.655 0.114 25694 154 1 1 . 1 1 27 27 LYS C C 27 173.953 173.953 174.574 -0.621 25694 155 1 1 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.866 0.264 25694 156 1 1 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.950 0.350 25694 157 1 1 . 1 1 27 27 LYS H H 27 9.113 9.113 8.873 0.240 25694 158 1 1 . 1 1 28 28 ILE N N 28 122.212 122.212 123.993 -1.781 25694 159 1 1 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.801 -0.025 25694 160 1 1 . 1 1 28 28 ILE C C 28 175.895 175.895 175.009 0.886 25694 161 1 1 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.613 0.587 25694 162 1 1 . 1 1 28 28 ILE CB C 28 39.200 39.200 39.117 0.083 25694 163 1 1 . 1 1 28 28 ILE H H 28 8.535 8.535 8.641 -0.106 25694 164 1 1 . 1 1 29 29 LEU N N 29 128.977 128.977 131.717 -2.740 25694 165 1 1 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.587 0.128 25694 166 1 1 . 1 1 29 29 LEU C C 29 175.438 175.438 175.230 0.208 25694 167 1 1 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.541 0.559 25694 168 1 1 . 1 1 29 29 LEU CB C 29 44.132 44.132 40.059 4.073 25694 169 1 1 . 1 1 29 29 LEU H H 29 9.137 9.137 8.523 0.614 25694 170 1 1 . 1 1 30 30 ASN N N 30 124.331 124.331 120.574 3.757 25694 171 1 1 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.947 0.198 25694 172 1 1 . 1 1 30 30 ASN C C 30 174.335 174.335 174.978 -0.643 25694 173 1 1 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.929 0.484 25694 174 1 1 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.311 1.289 25694 175 1 1 . 1 1 30 30 ASN H H 30 8.824 8.824 8.271 0.553 25694 176 1 1 . 1 1 31 31 THR N N 31 118.685 118.685 114.089 4.596 25694 177 1 1 . 1 1 31 31 THR HA H 31 4.796 4.796 4.755 0.041 25694 178 1 1 . 1 1 31 31 THR CA C 31 59.600 59.600 58.435 1.165 25694 179 1 1 . 1 1 31 31 THR CB C 31 70.459 70.459 69.450 1.009 25694 180 1 1 . 1 1 31 31 THR H H 31 8.456 8.456 7.932 0.524 25694 181 1 1 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.406 -0.116 25694 182 1 1 . 1 1 32 32 PRO C C 32 177.197 177.197 177.023 0.174 25694 183 1 1 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.366 0.475 25694 184 1 1 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.748 0.422 25694 185 1 1 . 1 1 33 33 ASN N N 33 112.484 112.484 115.203 -2.719 25694 186 1 1 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.636 -0.154 25694 187 1 1 . 1 1 33 33 ASN C C 33 174.526 174.526 175.176 -0.650 25694 188 1 1 . 1 1 33 33 ASN CA C 33 54.945 54.945 54.470 0.475 25694 189 1 1 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.532 0.100 25694 190 1 1 . 1 1 33 33 ASN H H 33 8.470 8.470 8.543 -0.073 25694 191 1 1 . 1 1 34 34 CYS N N 34 116.720 116.720 116.647 0.073 25694 192 1 1 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.597 0.330 25694 193 1 1 . 1 1 34 34 CYS C C 34 173.762 173.762 173.896 -0.134 25694 194 1 1 . 1 1 34 34 CYS CA C 34 54.810 54.810 58.320 -3.510 25694 195 1 1 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.845 14.255 25694 196 1 1 . 1 1 34 34 CYS H H 34 7.663 7.663 7.282 0.381 25694 197 1 1 . 1 1 35 35 ALA N N 35 125.254 125.254 122.032 3.222 25694 198 1 1 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.642 -0.345 25694 199 1 1 . 1 1 35 35 ALA C C 35 176.882 176.882 174.963 1.919 25694 200 1 1 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.419 0.994 25694 201 1 1 . 1 1 35 35 ALA CB C 35 18.968 18.968 21.021 -2.054 25694 202 1 1 . 1 1 35 35 ALA H H 35 8.449 8.449 8.290 0.159 25694 203 1 1 . 1 1 36 36 LEU N N 36 122.078 122.078 121.424 0.654 25694 204 1 1 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.822 -0.421 25694 205 1 1 . 1 1 36 36 LEU C C 36 176.442 176.442 175.995 0.447 25694 206 1 1 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.851 1.900 25694 207 1 1 . 1 1 36 36 LEU CB C 36 42.465 42.465 41.614 0.851 25694 208 1 1 . 1 1 36 36 LEU H H 36 8.073 8.073 8.342 -0.269 25694 209 1 1 . 1 1 37 37 GLN N N 37 121.790 121.790 125.707 -3.917 25694 210 1 1 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.725 0.023 25694 211 1 1 . 1 1 37 37 GLN C C 37 173.804 173.804 174.690 -0.886 25694 212 1 1 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.400 -0.000 25694 213 1 1 . 1 1 37 37 GLN CB C 37 32.463 32.463 33.147 -0.684 25694 214 1 1 . 1 1 37 37 GLN H H 37 8.397 8.397 9.225 -0.828 25694 215 1 1 . 1 1 38 38 ILE N N 38 123.702 123.702 122.980 0.722 25694 216 1 1 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.744 0.001 25694 217 1 1 . 1 1 38 38 ILE C C 38 174.808 174.808 175.030 -0.222 25694 218 1 1 . 1 1 38 38 ILE CA C 38 60.950 60.950 59.054 1.896 25694 219 1 1 . 1 1 38 38 ILE CB C 38 39.600 39.600 37.696 1.904 25694 220 1 1 . 1 1 38 38 ILE H H 38 9.213 9.213 8.425 0.788 25694 221 1 1 . 1 1 39 39 VAL N N 39 125.930 125.930 128.954 -3.024 25694 222 1 1 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.830 0.186 25694 223 1 1 . 1 1 39 39 VAL C C 39 174.741 174.741 174.145 0.596 25694 224 1 1 . 1 1 39 39 VAL CA C 39 60.950 60.950 60.535 0.415 25694 225 1 1 . 1 1 39 39 VAL CB C 39 34.426 34.426 33.758 0.668 25694 226 1 1 . 1 1 39 39 VAL H H 39 9.056 9.056 8.621 0.435 25694 227 1 1 . 1 1 40 40 ALA N N 40 127.551 127.551 130.142 -2.591 25694 228 1 1 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.328 0.004 25694 229 1 1 . 1 1 40 40 ALA C C 40 175.948 175.948 175.364 0.584 25694 230 1 1 . 1 1 40 40 ALA CA C 40 50.280 50.280 50.359 -0.079 25694 231 1 1 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.685 0.378 25694 232 1 1 . 1 1 40 40 ALA H H 40 9.335 9.335 9.457 -0.122 25694 233 1 1 . 1 1 41 41 ARG N N 41 118.658 118.658 120.789 -2.131 25694 234 1 1 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.324 -0.105 25694 235 1 1 . 1 1 41 41 ARG C C 41 176.310 176.310 175.873 0.437 25694 236 1 1 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.203 0.897 25694 237 1 1 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.925 0.503 25694 238 1 1 . 1 1 41 41 ARG H H 41 8.511 8.511 8.979 -0.468 25694 239 1 1 . 1 1 42 42 LEU N N 42 125.307 125.307 125.706 -0.399 25694 240 1 1 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.738 0.188 25694 241 1 1 . 1 1 42 42 LEU C C 42 178.475 178.475 177.897 0.578 25694 242 1 1 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.648 -1.319 25694 243 1 1 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.022 -0.525 25694 244 1 1 . 1 1 42 42 LEU H H 42 9.038 9.038 9.024 0.014 25694 245 1 1 . 1 1 43 43 LYS N N 43 120.597 120.597 123.220 -2.623 25694 246 1 1 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.954 -0.121 25694 247 1 1 . 1 1 43 43 LYS C C 43 178.342 178.342 178.959 -0.617 25694 248 1 1 . 1 1 43 43 LYS CA C 43 59.340 59.340 60.312 -0.973 25694 249 1 1 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.454 0.991 25694 250 1 1 . 1 1 43 43 LYS H H 43 8.480 8.480 8.800 -0.320 25694 251 1 1 . 1 1 44 44 ASN N N 44 114.812 114.812 117.710 -2.898 25694 252 1 1 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.533 -0.057 25694 253 1 1 . 1 1 44 44 ASN C C 44 176.032 176.032 176.432 -0.400 25694 254 1 1 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.488 0.292 25694 255 1 1 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.395 0.112 25694 256 1 1 . 1 1 44 44 ASN H H 44 8.725 8.725 8.699 0.026 25694 257 1 1 . 1 1 45 45 ASN N N 45 115.093 115.093 117.363 -2.270 25694 258 1 1 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.719 0.019 25694 259 1 1 . 1 1 45 45 ASN C C 45 175.513 175.513 174.689 0.824 25694 260 1 1 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.999 -0.230 25694 261 1 1 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.532 0.678 25694 262 1 1 . 1 1 45 45 ASN H H 45 7.519 7.519 8.188 -0.669 25694 263 1 1 . 1 1 46 46 ASN N N 46 116.121 116.121 113.877 2.244 25694 264 1 1 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.550 0.119 25694 265 1 1 . 1 1 46 46 ASN C C 46 174.816 174.816 173.854 0.962 25694 266 1 1 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.748 0.052 25694 267 1 1 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.714 1.565 25694 268 1 1 . 1 1 46 46 ASN H H 46 8.033 8.033 8.349 -0.316 25694 269 1 1 . 1 1 47 47 ARG N N 47 119.917 119.917 117.981 1.936 25694 270 1 1 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.317 -0.064 25694 271 1 1 . 1 1 47 47 ARG C C 47 175.845 175.845 175.635 0.210 25694 272 1 1 . 1 1 47 47 ARG CA C 47 57.084 57.084 56.601 0.483 25694 273 1 1 . 1 1 47 47 ARG CB C 47 31.785 31.785 31.070 0.715 25694 274 1 1 . 1 1 47 47 ARG H H 47 7.981 7.981 7.937 0.044 25694 275 1 1 . 1 1 48 48 GLN N N 48 123.497 123.497 124.200 -0.703 25694 276 1 1 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.041 0.201 25694 277 1 1 . 1 1 48 48 GLN C C 48 175.629 175.629 174.754 0.875 25694 278 1 1 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.741 0.039 25694 279 1 1 . 1 1 48 48 GLN CB C 48 31.190 31.190 29.263 1.927 25694 280 1 1 . 1 1 48 48 GLN H H 48 8.737 8.737 8.419 0.318 25694 281 1 1 . 1 1 49 49 VAL N N 49 119.819 119.819 125.546 -5.727 25694 282 1 1 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.505 0.268 25694 283 1 1 . 1 1 49 49 VAL C C 49 174.235 174.235 173.187 1.048 25694 284 1 1 . 1 1 49 49 VAL CA C 49 59.266 59.266 59.622 -0.356 25694 285 1 1 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.367 -0.367 25694 286 1 1 . 1 1 49 49 VAL H H 49 9.150 9.150 9.347 -0.197 25694 287 1 1 . 1 1 50 50 CYS N N 50 120.721 120.721 121.917 -1.196 25694 288 1 1 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.603 0.050 25694 289 1 1 . 1 1 50 50 CYS C C 50 174.078 174.078 175.118 -1.040 25694 290 1 1 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.676 -1.248 25694 291 1 1 . 1 1 50 50 CYS CB C 50 45.270 45.270 30.119 15.151 25694 292 1 1 . 1 1 50 50 CYS H H 50 8.854 8.854 8.764 0.090 25694 293 1 1 . 1 1 51 51 ILE N N 51 124.038 124.038 122.353 1.685 25694 294 1 1 . 1 1 51 51 ILE HA H 51 4.510 4.510 5.112 -0.602 25694 295 1 1 . 1 1 51 51 ILE C C 51 174.775 174.775 175.023 -0.248 25694 296 1 1 . 1 1 51 51 ILE CA C 51 59.300 59.300 59.766 -0.466 25694 297 1 1 . 1 1 51 51 ILE CB C 51 39.603 39.603 40.226 -0.623 25694 298 1 1 . 1 1 51 51 ILE H H 51 8.934 8.934 9.052 -0.118 25694 299 1 1 . 1 1 52 52 ASP N N 52 127.393 127.393 123.602 3.791 25694 300 1 1 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.292 -0.547 25694 301 1 1 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.558 0.332 25694 302 1 1 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.763 0.399 25694 303 1 1 . 1 1 52 52 ASP H H 52 8.098 8.098 8.056 0.042 25694 304 1 1 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.087 -0.002 25694 305 1 1 . 1 1 53 53 PRO C C 53 176.500 176.500 176.331 0.169 25694 306 1 1 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.831 0.679 25694 307 1 1 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.552 0.720 25694 308 1 1 . 1 1 54 54 LYS N N 54 116.899 116.899 116.580 0.319 25694 309 1 1 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.326 -0.121 25694 310 1 1 . 1 1 54 54 LYS C C 54 176.791 176.791 177.149 -0.358 25694 311 1 1 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.898 -0.198 25694 312 1 1 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.444 -1.644 25694 313 1 1 . 1 1 54 54 LYS H H 54 8.129 8.129 8.196 -0.067 25694 314 1 1 . 1 1 55 55 CYS N N 55 119.988 119.988 118.328 1.660 25694 315 1 1 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.513 -0.116 25694 316 1 1 . 1 1 55 55 CYS CA C 55 57.075 57.075 56.563 0.512 25694 317 1 1 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.767 12.777 25694 318 1 1 . 1 1 55 55 CYS H H 55 7.989 7.989 7.381 0.608 25694 319 1 1 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.160 -0.033 25694 320 1 1 . 1 1 56 56 LYS C C 56 178.326 178.326 178.293 0.033 25694 321 1 1 . 1 1 56 56 LYS CA C 56 60.600 60.600 59.156 1.444 25694 322 1 1 . 1 1 56 56 LYS CB C 56 32.800 32.800 33.065 -0.265 25694 323 1 1 . 1 1 57 57 TRP N N 57 114.860 114.860 117.180 -2.320 25694 324 1 1 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.678 0.227 25694 325 1 1 . 1 1 57 57 TRP C C 57 177.803 177.803 177.781 0.022 25694 326 1 1 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.751 -1.511 25694 327 1 1 . 1 1 57 57 TRP CB C 57 28.925 28.925 28.331 0.594 25694 328 1 1 . 1 1 57 57 TRP H H 57 7.274 7.274 7.862 -0.588 25694 329 1 1 . 1 1 58 58 CYS N N 58 121.960 121.960 117.383 4.577 25694 330 1 1 . 1 1 58 58 CYS HA H 58 3.917 3.917 3.606 0.311 25694 331 1 1 . 1 1 58 58 CYS C C 58 175.480 175.480 177.087 -1.607 25694 332 1 1 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.065 4.770 25694 333 1 1 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.027 11.340 25694 334 1 1 . 1 1 58 58 CYS H H 58 7.780 7.780 7.299 0.481 25694 335 1 1 . 1 1 59 59 GLN N N 59 119.203 119.203 121.130 -1.927 25694 336 1 1 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.928 0.019 25694 337 1 1 . 1 1 59 59 GLN C C 59 178.152 178.152 178.293 -0.141 25694 338 1 1 . 1 1 59 59 GLN CA C 59 59.663 59.663 59.276 0.387 25694 339 1 1 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.973 -0.001 25694 340 1 1 . 1 1 59 59 GLN H H 59 8.073 8.073 7.753 0.320 25694 341 1 1 . 1 1 60 60 GLU N N 60 118.831 118.831 118.201 0.630 25694 342 1 1 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.165 -0.044 25694 343 1 1 . 1 1 60 60 GLU C C 60 178.367 178.367 178.909 -0.542 25694 344 1 1 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.611 0.729 25694 345 1 1 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.269 0.627 25694 346 1 1 . 1 1 60 60 GLU H H 60 8.085 8.085 7.969 0.116 25694 347 1 1 . 1 1 61 61 TYR N N 61 118.802 118.802 121.954 -3.152 25694 348 1 1 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.251 0.079 25694 349 1 1 . 1 1 61 61 TYR C C 61 177.629 177.629 177.314 0.315 25694 350 1 1 . 1 1 61 61 TYR CA C 61 61.281 61.281 60.771 0.510 25694 351 1 1 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.081 0.875 25694 352 1 1 . 1 1 61 61 TYR H H 61 7.666 7.666 7.716 -0.050 25694 353 1 1 . 1 1 62 62 LEU N N 62 119.351 119.351 119.453 -0.102 25694 354 1 1 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.638 0.229 25694 355 1 1 . 1 1 62 62 LEU C C 62 178.724 178.724 179.175 -0.451 25694 356 1 1 . 1 1 62 62 LEU CA C 62 57.619 57.619 58.173 -0.554 25694 357 1 1 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.473 0.717 25694 358 1 1 . 1 1 62 62 LEU H H 62 8.275 8.275 8.675 -0.400 25694 359 1 1 . 1 1 63 63 GLU N N 63 118.049 118.049 118.013 0.036 25694 360 1 1 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.063 -0.066 25694 361 1 1 . 1 1 63 63 GLU C C 63 178.649 178.649 179.532 -0.883 25694 362 1 1 . 1 1 63 63 GLU CA C 63 59.143 59.143 59.033 0.110 25694 363 1 1 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.191 0.705 25694 364 1 1 . 1 1 63 63 GLU H H 63 8.066 8.066 7.691 0.375 25694 365 1 1 . 1 1 64 64 LYS N N 64 117.297 117.297 119.459 -2.162 25694 366 1 1 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.208 0.020 25694 367 1 1 . 1 1 64 64 LYS C C 64 178.085 178.085 178.939 -0.854 25694 368 1 1 . 1 1 64 64 LYS CA C 64 57.820 57.820 57.914 -0.094 25694 369 1 1 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.025 0.783 25694 370 1 1 . 1 1 64 64 LYS H H 64 7.572 7.572 7.573 -0.001 25694 371 1 1 . 1 1 65 65 ALA N N 65 121.570 121.570 122.070 -0.500 25694 372 1 1 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.106 0.068 25694 373 1 1 . 1 1 65 65 ALA C C 65 178.707 178.707 178.776 -0.069 25694 374 1 1 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.231 -0.431 25694 375 1 1 . 1 1 65 65 ALA CB C 65 19.534 19.534 17.977 1.557 25694 376 1 1 . 1 1 65 65 ALA H H 65 7.964 7.964 8.189 -0.225 25694 377 1 1 . 1 1 66 66 LEU N N 66 117.399 117.399 118.661 -1.262 25694 378 1 1 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.984 0.341 25694 379 1 1 . 1 1 66 66 LEU C C 66 177.264 177.264 178.067 -0.803 25694 380 1 1 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.628 -1.171 25694 381 1 1 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.296 1.204 25694 382 1 1 . 1 1 66 66 LEU H H 66 7.888 7.888 7.625 0.263 25694 383 1 1 . 1 1 67 67 ASN N N 67 118.846 118.846 117.511 1.335 25694 384 1 1 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.634 0.136 25694 385 1 1 . 1 1 67 67 ASN C C 67 174.094 174.094 175.410 -1.316 25694 386 1 1 . 1 1 67 67 ASN CA C 67 53.434 53.434 53.253 0.181 25694 387 1 1 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.881 -0.602 25694 388 1 1 . 1 1 67 67 ASN H H 67 7.959 7.959 7.574 0.385 25694 389 1 2 . 1 1 0 0 MET HA H 0 4.501 4.501 4.712 -0.211 25694 390 1 2 . 1 1 0 0 MET C C 0 176.102 176.102 174.752 1.350 25694 391 1 2 . 1 1 0 0 MET CA C 0 55.781 55.781 55.817 -0.036 25694 392 1 2 . 1 1 0 0 MET CB C 0 33.455 33.455 33.271 0.184 25694 393 1 2 . 1 1 1 1 LYS N N 1 124.708 124.708 123.511 1.197 25694 394 1 2 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.716 -0.078 25694 395 1 2 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.650 -0.164 25694 396 1 2 . 1 1 1 1 LYS CB C 1 32.808 32.808 34.614 -1.806 25694 397 1 2 . 1 1 1 1 LYS H H 1 8.503 8.503 8.270 0.233 25694 398 1 2 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.555 -0.071 25694 399 1 2 . 1 1 2 2 PRO C C 2 177.031 177.031 176.521 0.510 25694 400 1 2 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.551 0.649 25694 401 1 2 . 1 1 2 2 PRO CB C 2 32.161 32.161 30.795 1.366 25694 402 1 2 . 1 1 3 3 VAL N N 3 120.641 120.641 122.006 -1.365 25694 403 1 2 . 1 1 3 3 VAL HA H 3 4.119 4.119 4.054 0.065 25694 404 1 2 . 1 1 3 3 VAL C C 3 176.393 176.393 175.444 0.949 25694 405 1 2 . 1 1 3 3 VAL CA C 3 62.495 62.495 63.068 -0.573 25694 406 1 2 . 1 1 3 3 VAL CB C 3 33.100 33.100 31.875 1.225 25694 407 1 2 . 1 1 3 3 VAL H H 3 8.290 8.290 7.742 0.548 25694 408 1 2 . 1 1 4 4 SER N N 4 119.097 119.097 122.417 -3.320 25694 409 1 2 . 1 1 4 4 SER HA H 4 4.470 4.470 4.669 -0.199 25694 410 1 2 . 1 1 4 4 SER C C 4 174.617 174.617 173.636 0.981 25694 411 1 2 . 1 1 4 4 SER CA C 4 58.369 58.369 57.898 0.471 25694 412 1 2 . 1 1 4 4 SER CB C 4 64.187 64.187 63.123 1.065 25694 413 1 2 . 1 1 4 4 SER H H 4 8.349 8.349 8.267 0.082 25694 414 1 2 . 1 1 5 5 LEU N N 5 124.723 124.723 122.752 1.971 25694 415 1 2 . 1 1 5 5 LEU HA H 5 4.380 4.380 5.027 -0.647 25694 416 1 2 . 1 1 5 5 LEU C C 5 177.355 177.355 175.673 1.682 25694 417 1 2 . 1 1 5 5 LEU CA C 5 55.388 55.388 54.806 0.582 25694 418 1 2 . 1 1 5 5 LEU CB C 5 42.515 42.515 43.955 -1.440 25694 419 1 2 . 1 1 5 5 LEU H H 5 8.339 8.339 8.141 0.198 25694 420 1 2 . 1 1 6 6 SER N N 6 115.926 115.926 115.563 0.363 25694 421 1 2 . 1 1 6 6 SER HA H 6 4.414 4.414 4.298 0.116 25694 422 1 2 . 1 1 6 6 SER C C 6 174.235 174.235 173.565 0.670 25694 423 1 2 . 1 1 6 6 SER CA C 6 58.369 58.369 59.732 -1.363 25694 424 1 2 . 1 1 6 6 SER CB C 6 64.187 64.187 62.221 1.966 25694 425 1 2 . 1 1 6 6 SER H H 6 8.199 8.199 9.051 -0.852 25694 426 1 2 . 1 1 7 7 TYR N N 7 122.124 122.124 117.299 4.825 25694 427 1 2 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.668 -0.092 25694 428 1 2 . 1 1 7 7 TYR C C 7 175.530 175.530 174.309 1.221 25694 429 1 2 . 1 1 7 7 TYR CA C 7 58.008 58.008 56.997 1.011 25694 430 1 2 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.998 -0.029 25694 431 1 2 . 1 1 7 7 TYR H H 7 8.049 8.049 7.958 0.091 25694 432 1 2 . 1 1 8 8 ARG N N 8 121.947 121.947 118.208 3.739 25694 433 1 2 . 1 1 8 8 ARG HA H 8 4.326 4.326 3.955 0.371 25694 434 1 2 . 1 1 8 8 ARG C C 8 175.845 175.845 174.599 1.246 25694 435 1 2 . 1 1 8 8 ARG CA C 8 56.104 56.104 56.273 -0.169 25694 436 1 2 . 1 1 8 8 ARG CB C 8 31.100 31.100 29.752 1.349 25694 437 1 2 . 1 1 8 8 ARG H H 8 8.177 8.177 7.764 0.413 25694 438 1 2 . 1 1 9 9 CYS N N 9 120.943 120.943 121.308 -0.365 25694 439 1 2 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.558 0.396 25694 440 1 2 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.465 -3.338 25694 441 1 2 . 1 1 9 9 CYS CB C 9 40.218 40.218 26.552 13.666 25694 442 1 2 . 1 1 9 9 CYS H H 9 8.173 8.173 8.364 -0.191 25694 443 1 2 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.353 -0.001 25694 444 1 2 . 1 1 10 10 PRO C C 10 177.347 177.347 176.509 0.838 25694 445 1 2 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.798 1.061 25694 446 1 2 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.312 0.196 25694 447 1 2 . 1 1 11 11 CYS N N 11 114.096 114.096 118.032 -3.936 25694 448 1 2 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.531 0.194 25694 449 1 2 . 1 1 11 11 CYS CA C 11 53.429 53.429 58.697 -5.268 25694 450 1 2 . 1 1 11 11 CYS CB C 11 39.279 39.279 25.301 13.978 25694 451 1 2 . 1 1 11 11 CYS H H 11 8.232 8.232 7.976 0.256 25694 452 1 2 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.029 0.040 25694 453 1 2 . 1 1 12 12 ARG C C 12 175.106 175.106 175.442 -0.336 25694 454 1 2 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.909 0.091 25694 455 1 2 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.935 0.565 25694 456 1 2 . 1 1 13 13 PHE N N 13 116.259 116.259 117.324 -1.065 25694 457 1 2 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.576 0.054 25694 458 1 2 . 1 1 13 13 PHE C C 13 174.227 174.227 174.128 0.099 25694 459 1 2 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.896 -0.925 25694 460 1 2 . 1 1 13 13 PHE CB C 13 41.059 41.059 41.037 0.022 25694 461 1 2 . 1 1 13 13 PHE H H 13 7.572 7.572 7.714 -0.142 25694 462 1 2 . 1 1 14 14 PHE N N 14 119.623 119.623 118.105 1.518 25694 463 1 2 . 1 1 14 14 PHE HA H 14 4.936 4.936 5.098 -0.162 25694 464 1 2 . 1 1 14 14 PHE C C 14 175.496 175.496 174.977 0.519 25694 465 1 2 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.556 -0.409 25694 466 1 2 . 1 1 14 14 PHE CB C 14 41.544 41.544 42.210 -0.666 25694 467 1 2 . 1 1 14 14 PHE H H 14 8.450 8.450 8.263 0.187 25694 468 1 2 . 1 1 15 15 GLU N N 15 122.147 122.147 121.827 0.320 25694 469 1 2 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.701 -0.066 25694 470 1 2 . 1 1 15 15 GLU C C 15 176.990 176.990 177.003 -0.013 25694 471 1 2 . 1 1 15 15 GLU CA C 15 55.780 55.780 55.485 0.295 25694 472 1 2 . 1 1 15 15 GLU CB C 15 31.109 31.109 32.057 -0.948 25694 473 1 2 . 1 1 15 15 GLU H H 15 8.956 8.956 8.980 -0.024 25694 474 1 2 . 1 1 16 16 SER N N 16 119.943 119.943 120.368 -0.425 25694 475 1 2 . 1 1 16 16 SER HA H 16 4.598 4.598 4.311 0.287 25694 476 1 2 . 1 1 16 16 SER C C 16 174.385 174.385 174.796 -0.411 25694 477 1 2 . 1 1 16 16 SER CA C 16 59.799 59.799 60.555 -0.756 25694 478 1 2 . 1 1 16 16 SER CB C 16 64.517 64.517 63.381 1.136 25694 479 1 2 . 1 1 16 16 SER H H 16 8.943 8.943 8.787 0.156 25694 480 1 2 . 1 1 17 17 HIS N N 17 119.124 119.124 122.619 -3.495 25694 481 1 2 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.753 -0.053 25694 482 1 2 . 1 1 17 17 HIS C C 17 174.567 174.567 173.994 0.573 25694 483 1 2 . 1 1 17 17 HIS CA C 17 56.751 56.751 55.340 1.411 25694 484 1 2 . 1 1 17 17 HIS CB C 17 29.896 29.896 28.816 1.080 25694 485 1 2 . 1 1 17 17 HIS H H 17 8.649 8.649 8.372 0.277 25694 486 1 2 . 1 1 18 18 VAL N N 18 121.960 121.960 124.257 -2.297 25694 487 1 2 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.236 -0.079 25694 488 1 2 . 1 1 18 18 VAL C C 18 175.140 175.140 174.509 0.631 25694 489 1 2 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.562 0.366 25694 490 1 2 . 1 1 18 18 VAL CB C 18 33.700 33.700 33.798 -0.098 25694 491 1 2 . 1 1 18 18 VAL H H 18 7.876 7.876 7.866 0.010 25694 492 1 2 . 1 1 19 19 ALA N N 19 132.226 132.226 129.329 2.897 25694 493 1 2 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.833 -0.318 25694 494 1 2 . 1 1 19 19 ALA C C 19 178.060 178.060 177.299 0.761 25694 495 1 2 . 1 1 19 19 ALA CA C 19 51.500 51.500 49.904 1.596 25694 496 1 2 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.728 -1.844 25694 497 1 2 . 1 1 19 19 ALA H H 19 8.843 8.843 9.348 -0.505 25694 498 1 2 . 1 1 20 20 ARG N N 20 125.791 125.791 123.909 1.882 25694 499 1 2 . 1 1 20 20 ARG HA H 20 2.837 2.837 2.969 -0.132 25694 500 1 2 . 1 1 20 20 ARG C C 20 178.459 178.459 176.889 1.570 25694 501 1 2 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.185 0.454 25694 502 1 2 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.212 -0.287 25694 503 1 2 . 1 1 20 20 ARG H H 20 8.196 8.196 8.345 -0.149 25694 504 1 2 . 1 1 21 21 ALA N N 21 117.396 117.396 119.783 -2.387 25694 505 1 2 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.115 -0.033 25694 506 1 2 . 1 1 21 21 ALA C C 21 177.745 177.745 177.420 0.325 25694 507 1 2 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.988 -0.179 25694 508 1 2 . 1 1 21 21 ALA CB C 21 18.884 18.884 19.111 -0.227 25694 509 1 2 . 1 1 21 21 ALA H H 21 8.309 8.309 8.079 0.230 25694 510 1 2 . 1 1 22 22 ASN N N 22 113.201 113.201 113.883 -0.682 25694 511 1 2 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.686 0.288 25694 512 1 2 . 1 1 22 22 ASN C C 22 174.999 174.999 174.047 0.952 25694 513 1 2 . 1 1 22 22 ASN CA C 22 52.590 52.590 53.423 -0.833 25694 514 1 2 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.174 0.726 25694 515 1 2 . 1 1 22 22 ASN H H 22 7.796 7.796 8.007 -0.211 25694 516 1 2 . 1 1 23 23 VAL N N 23 117.829 117.829 114.373 3.456 25694 517 1 2 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.813 -0.325 25694 518 1 2 . 1 1 23 23 VAL C C 23 174.393 174.393 174.886 -0.493 25694 519 1 2 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.664 1.586 25694 520 1 2 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.464 -0.764 25694 521 1 2 . 1 1 23 23 VAL H H 23 7.477 7.477 7.005 0.472 25694 522 1 2 . 1 1 24 24 LYS N N 24 123.962 123.962 122.302 1.660 25694 523 1 2 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.494 -0.014 25694 524 1 2 . 1 1 24 24 LYS C C 24 175.090 175.090 176.958 -1.868 25694 525 1 2 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.227 -0.123 25694 526 1 2 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.406 1.990 25694 527 1 2 . 1 1 24 24 LYS H H 24 9.276 9.276 8.807 0.469 25694 528 1 2 . 1 1 25 25 HIS N N 25 115.921 115.921 119.131 -3.210 25694 529 1 2 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.853 -0.150 25694 530 1 2 . 1 1 25 25 HIS C C 25 173.364 173.364 172.836 0.528 25694 531 1 2 . 1 1 25 25 HIS CA C 25 55.781 55.781 55.580 0.201 25694 532 1 2 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.422 -0.262 25694 533 1 2 . 1 1 25 25 HIS H H 25 7.964 7.964 7.741 0.223 25694 534 1 2 . 1 1 26 26 LEU N N 26 122.215 122.215 125.492 -3.277 25694 535 1 2 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.410 -0.442 25694 536 1 2 . 1 1 26 26 LEU C C 26 175.720 175.720 175.549 0.171 25694 537 1 2 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.565 1.892 25694 538 1 2 . 1 1 26 26 LEU CB C 26 45.594 45.594 46.681 -1.087 25694 539 1 2 . 1 1 26 26 LEU H H 26 8.076 8.076 8.709 -0.633 25694 540 1 2 . 1 1 27 27 LYS N N 27 122.738 122.738 121.084 1.654 25694 541 1 2 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.618 0.151 25694 542 1 2 . 1 1 27 27 LYS C C 27 173.953 173.953 174.801 -0.848 25694 543 1 2 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.602 0.528 25694 544 1 2 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.680 0.620 25694 545 1 2 . 1 1 27 27 LYS H H 27 9.113 9.113 8.951 0.162 25694 546 1 2 . 1 1 28 28 ILE N N 28 122.212 122.212 122.834 -0.622 25694 547 1 2 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.448 0.328 25694 548 1 2 . 1 1 28 28 ILE C C 28 175.895 175.895 175.753 0.142 25694 549 1 2 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.751 0.450 25694 550 1 2 . 1 1 28 28 ILE CB C 28 39.200 39.200 37.554 1.646 25694 551 1 2 . 1 1 28 28 ILE H H 28 8.535 8.535 8.613 -0.078 25694 552 1 2 . 1 1 29 29 LEU N N 29 128.977 128.977 132.304 -3.327 25694 553 1 2 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.544 0.171 25694 554 1 2 . 1 1 29 29 LEU C C 29 175.438 175.438 174.733 0.705 25694 555 1 2 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.469 0.631 25694 556 1 2 . 1 1 29 29 LEU CB C 29 44.132 44.132 42.121 2.011 25694 557 1 2 . 1 1 29 29 LEU H H 29 9.137 9.137 8.845 0.292 25694 558 1 2 . 1 1 30 30 ASN N N 30 124.331 124.331 123.022 1.309 25694 559 1 2 . 1 1 30 30 ASN HA H 30 5.145 5.145 5.144 0.001 25694 560 1 2 . 1 1 30 30 ASN C C 30 174.335 174.335 175.031 -0.696 25694 561 1 2 . 1 1 30 30 ASN CA C 30 52.413 52.413 50.593 1.820 25694 562 1 2 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.153 1.447 25694 563 1 2 . 1 1 30 30 ASN H H 30 8.824 8.824 8.232 0.592 25694 564 1 2 . 1 1 31 31 THR N N 31 118.685 118.685 113.624 5.061 25694 565 1 2 . 1 1 31 31 THR HA H 31 4.796 4.796 4.643 0.153 25694 566 1 2 . 1 1 31 31 THR CA C 31 59.600 59.600 60.028 -0.428 25694 567 1 2 . 1 1 31 31 THR CB C 31 70.459 70.459 68.604 1.855 25694 568 1 2 . 1 1 31 31 THR H H 31 8.456 8.456 7.953 0.503 25694 569 1 2 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.356 -0.066 25694 570 1 2 . 1 1 32 32 PRO C C 32 177.197 177.197 177.154 0.043 25694 571 1 2 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.786 0.055 25694 572 1 2 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.686 0.484 25694 573 1 2 . 1 1 33 33 ASN N N 33 112.484 112.484 113.479 -0.995 25694 574 1 2 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.744 -0.262 25694 575 1 2 . 1 1 33 33 ASN C C 33 174.526 174.526 175.098 -0.572 25694 576 1 2 . 1 1 33 33 ASN CA C 33 54.945 54.945 53.839 1.106 25694 577 1 2 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.754 -0.122 25694 578 1 2 . 1 1 33 33 ASN H H 33 8.470 8.470 8.437 0.033 25694 579 1 2 . 1 1 34 34 CYS N N 34 116.720 116.720 117.317 -0.597 25694 580 1 2 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.577 0.350 25694 581 1 2 . 1 1 34 34 CYS C C 34 173.762 173.762 173.143 0.619 25694 582 1 2 . 1 1 34 34 CYS CA C 34 54.810 54.810 58.141 -3.331 25694 583 1 2 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.778 14.322 25694 584 1 2 . 1 1 34 34 CYS H H 34 7.663 7.663 7.529 0.134 25694 585 1 2 . 1 1 35 35 ALA N N 35 125.254 125.254 122.367 2.887 25694 586 1 2 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.628 -0.331 25694 587 1 2 . 1 1 35 35 ALA C C 35 176.882 176.882 174.650 2.232 25694 588 1 2 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.411 1.002 25694 589 1 2 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.953 -1.985 25694 590 1 2 . 1 1 35 35 ALA H H 35 8.449 8.449 8.543 -0.094 25694 591 1 2 . 1 1 36 36 LEU N N 36 122.078 122.078 120.337 1.741 25694 592 1 2 . 1 1 36 36 LEU HA H 36 4.401 4.401 5.583 -1.182 25694 593 1 2 . 1 1 36 36 LEU C C 36 176.442 176.442 175.886 0.556 25694 594 1 2 . 1 1 36 36 LEU CA C 36 56.751 56.751 53.444 3.307 25694 595 1 2 . 1 1 36 36 LEU CB C 36 42.465 42.465 43.975 -1.510 25694 596 1 2 . 1 1 36 36 LEU H H 36 8.073 8.073 8.344 -0.271 25694 597 1 2 . 1 1 37 37 GLN N N 37 121.790 121.790 124.705 -2.915 25694 598 1 2 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.757 -0.009 25694 599 1 2 . 1 1 37 37 GLN C C 37 173.804 173.804 175.036 -1.232 25694 600 1 2 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.254 0.146 25694 601 1 2 . 1 1 37 37 GLN CB C 37 32.463 32.463 32.697 -0.234 25694 602 1 2 . 1 1 37 37 GLN H H 37 8.397 8.397 9.107 -0.710 25694 603 1 2 . 1 1 38 38 ILE N N 38 123.702 123.702 122.408 1.294 25694 604 1 2 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.431 0.314 25694 605 1 2 . 1 1 38 38 ILE C C 38 174.808 174.808 175.152 -0.344 25694 606 1 2 . 1 1 38 38 ILE CA C 38 60.950 60.950 59.740 1.210 25694 607 1 2 . 1 1 38 38 ILE CB C 38 39.600 39.600 37.628 1.972 25694 608 1 2 . 1 1 38 38 ILE H H 38 9.213 9.213 8.213 1.000 25694 609 1 2 . 1 1 39 39 VAL N N 39 125.930 125.930 128.432 -2.502 25694 610 1 2 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.845 0.171 25694 611 1 2 . 1 1 39 39 VAL C C 39 174.741 174.741 174.100 0.641 25694 612 1 2 . 1 1 39 39 VAL CA C 39 60.950 60.950 60.760 0.190 25694 613 1 2 . 1 1 39 39 VAL CB C 39 34.426 34.426 33.421 1.005 25694 614 1 2 . 1 1 39 39 VAL H H 39 9.056 9.056 8.335 0.721 25694 615 1 2 . 1 1 40 40 ALA N N 40 127.551 127.551 130.336 -2.785 25694 616 1 2 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.611 -0.279 25694 617 1 2 . 1 1 40 40 ALA C C 40 175.948 175.948 175.418 0.530 25694 618 1 2 . 1 1 40 40 ALA CA C 40 50.280 50.280 49.976 0.304 25694 619 1 2 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.540 0.523 25694 620 1 2 . 1 1 40 40 ALA H H 40 9.335 9.335 9.480 -0.145 25694 621 1 2 . 1 1 41 41 ARG N N 41 118.658 118.658 120.070 -1.412 25694 622 1 2 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.349 -0.130 25694 623 1 2 . 1 1 41 41 ARG C C 41 176.310 176.310 175.810 0.500 25694 624 1 2 . 1 1 41 41 ARG CA C 41 54.100 54.100 54.049 0.051 25694 625 1 2 . 1 1 41 41 ARG CB C 41 32.428 32.428 33.131 -0.703 25694 626 1 2 . 1 1 41 41 ARG H H 41 8.511 8.511 9.040 -0.529 25694 627 1 2 . 1 1 42 42 LEU N N 42 125.307 125.307 124.438 0.869 25694 628 1 2 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.823 0.103 25694 629 1 2 . 1 1 42 42 LEU C C 42 178.475 178.475 177.524 0.951 25694 630 1 2 . 1 1 42 42 LEU CA C 42 54.329 54.329 54.672 -0.343 25694 631 1 2 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.383 -0.885 25694 632 1 2 . 1 1 42 42 LEU H H 42 9.038 9.038 8.851 0.187 25694 633 1 2 . 1 1 43 43 LYS N N 43 120.597 120.597 123.141 -2.544 25694 634 1 2 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.966 -0.133 25694 635 1 2 . 1 1 43 43 LYS C C 43 178.342 178.342 178.781 -0.439 25694 636 1 2 . 1 1 43 43 LYS CA C 43 59.340 59.340 60.144 -0.804 25694 637 1 2 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.553 0.892 25694 638 1 2 . 1 1 43 43 LYS H H 43 8.480 8.480 8.688 -0.208 25694 639 1 2 . 1 1 44 44 ASN N N 44 114.812 114.812 116.722 -1.910 25694 640 1 2 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.561 -0.085 25694 641 1 2 . 1 1 44 44 ASN C C 44 176.032 176.032 176.529 -0.497 25694 642 1 2 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.189 0.591 25694 643 1 2 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.630 -0.123 25694 644 1 2 . 1 1 44 44 ASN H H 44 8.725 8.725 8.401 0.324 25694 645 1 2 . 1 1 45 45 ASN N N 45 115.093 115.093 117.491 -2.398 25694 646 1 2 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.623 0.115 25694 647 1 2 . 1 1 45 45 ASN C C 45 175.513 175.513 175.581 -0.068 25694 648 1 2 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.870 -0.101 25694 649 1 2 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.727 0.484 25694 650 1 2 . 1 1 45 45 ASN H H 45 7.519 7.519 8.121 -0.602 25694 651 1 2 . 1 1 46 46 ASN N N 46 116.121 116.121 113.014 3.107 25694 652 1 2 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.466 0.203 25694 653 1 2 . 1 1 46 46 ASN C C 46 174.816 174.816 173.721 1.095 25694 654 1 2 . 1 1 46 46 ASN CA C 46 54.800 54.800 55.385 -0.585 25694 655 1 2 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.182 2.097 25694 656 1 2 . 1 1 46 46 ASN H H 46 8.033 8.033 8.595 -0.562 25694 657 1 2 . 1 1 47 47 ARG N N 47 119.917 119.917 118.145 1.772 25694 658 1 2 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.474 -0.221 25694 659 1 2 . 1 1 47 47 ARG C C 47 175.845 175.845 175.231 0.614 25694 660 1 2 . 1 1 47 47 ARG CA C 47 57.084 57.084 55.165 1.919 25694 661 1 2 . 1 1 47 47 ARG CB C 47 31.785 31.785 31.284 0.501 25694 662 1 2 . 1 1 47 47 ARG H H 47 7.981 7.981 7.922 0.059 25694 663 1 2 . 1 1 48 48 GLN N N 48 123.497 123.497 124.813 -1.316 25694 664 1 2 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.232 0.010 25694 665 1 2 . 1 1 48 48 GLN C C 48 175.629 175.629 174.860 0.769 25694 666 1 2 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.859 -0.079 25694 667 1 2 . 1 1 48 48 GLN CB C 48 31.190 31.190 29.902 1.288 25694 668 1 2 . 1 1 48 48 GLN H H 48 8.737 8.737 8.537 0.200 25694 669 1 2 . 1 1 49 49 VAL N N 49 119.819 119.819 126.183 -6.364 25694 670 1 2 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.573 0.200 25694 671 1 2 . 1 1 49 49 VAL C C 49 174.235 174.235 173.347 0.888 25694 672 1 2 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.162 -0.896 25694 673 1 2 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.495 -0.495 25694 674 1 2 . 1 1 49 49 VAL H H 49 9.150 9.150 9.146 0.004 25694 675 1 2 . 1 1 50 50 CYS N N 50 120.721 120.721 123.732 -3.011 25694 676 1 2 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.440 0.213 25694 677 1 2 . 1 1 50 50 CYS C C 50 174.078 174.078 175.421 -1.343 25694 678 1 2 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.737 -1.309 25694 679 1 2 . 1 1 50 50 CYS CB C 50 45.270 45.270 26.563 18.707 25694 680 1 2 . 1 1 50 50 CYS H H 50 8.854 8.854 8.610 0.244 25694 681 1 2 . 1 1 51 51 ILE N N 51 124.038 124.038 124.593 -0.555 25694 682 1 2 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.321 0.189 25694 683 1 2 . 1 1 51 51 ILE C C 51 174.775 174.775 174.998 -0.223 25694 684 1 2 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.961 -1.661 25694 685 1 2 . 1 1 51 51 ILE CB C 51 39.603 39.603 39.220 0.383 25694 686 1 2 . 1 1 51 51 ILE H H 51 8.934 8.934 8.974 -0.040 25694 687 1 2 . 1 1 52 52 ASP N N 52 127.393 127.393 125.391 2.002 25694 688 1 2 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.248 -0.503 25694 689 1 2 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.906 -0.016 25694 690 1 2 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.423 0.739 25694 691 1 2 . 1 1 52 52 ASP H H 52 8.098 8.098 8.196 -0.098 25694 692 1 2 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.304 -0.219 25694 693 1 2 . 1 1 53 53 PRO C C 53 176.500 176.500 176.437 0.063 25694 694 1 2 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.196 1.314 25694 695 1 2 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.106 1.166 25694 696 1 2 . 1 1 54 54 LYS N N 54 116.899 116.899 117.370 -0.471 25694 697 1 2 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.263 -0.058 25694 698 1 2 . 1 1 54 54 LYS C C 54 176.791 176.791 176.983 -0.192 25694 699 1 2 . 1 1 54 54 LYS CA C 54 55.700 55.700 56.426 -0.726 25694 700 1 2 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.857 -2.057 25694 701 1 2 . 1 1 54 54 LYS H H 54 8.129 8.129 7.721 0.408 25694 702 1 2 . 1 1 55 55 CYS N N 55 119.988 119.988 120.195 -0.207 25694 703 1 2 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.314 0.083 25694 704 1 2 . 1 1 55 55 CYS CA C 55 57.075 57.075 57.281 -0.206 25694 705 1 2 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.140 13.404 25694 706 1 2 . 1 1 55 55 CYS H H 55 7.989 7.989 7.403 0.586 25694 707 1 2 . 1 1 56 56 LYS HA H 56 4.127 4.127 3.957 0.170 25694 708 1 2 . 1 1 56 56 LYS C C 56 178.326 178.326 177.929 0.397 25694 709 1 2 . 1 1 56 56 LYS CA C 56 60.600 60.600 59.097 1.503 25694 710 1 2 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.367 0.433 25694 711 1 2 . 1 1 57 57 TRP N N 57 114.860 114.860 115.530 -0.670 25694 712 1 2 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.645 0.260 25694 713 1 2 . 1 1 57 57 TRP C C 57 177.803 177.803 177.230 0.573 25694 714 1 2 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.892 -1.652 25694 715 1 2 . 1 1 57 57 TRP CB C 57 28.925 28.925 27.748 1.177 25694 716 1 2 . 1 1 57 57 TRP H H 57 7.274 7.274 8.013 -0.739 25694 717 1 2 . 1 1 58 58 CYS N N 58 121.960 121.960 117.702 4.258 25694 718 1 2 . 1 1 58 58 CYS HA H 58 3.917 3.917 3.755 0.162 25694 719 1 2 . 1 1 58 58 CYS C C 58 175.480 175.480 177.355 -1.875 25694 720 1 2 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.009 4.826 25694 721 1 2 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.858 10.509 25694 722 1 2 . 1 1 58 58 CYS H H 58 7.780 7.780 7.014 0.766 25694 723 1 2 . 1 1 59 59 GLN N N 59 119.203 119.203 121.142 -1.939 25694 724 1 2 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.932 0.015 25694 725 1 2 . 1 1 59 59 GLN C C 59 178.152 178.152 178.830 -0.678 25694 726 1 2 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.969 0.694 25694 727 1 2 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.766 0.206 25694 728 1 2 . 1 1 59 59 GLN H H 59 8.073 8.073 7.939 0.134 25694 729 1 2 . 1 1 60 60 GLU N N 60 118.831 118.831 118.783 0.048 25694 730 1 2 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.111 0.010 25694 731 1 2 . 1 1 60 60 GLU C C 60 178.367 178.367 179.113 -0.746 25694 732 1 2 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.791 0.549 25694 733 1 2 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.643 0.253 25694 734 1 2 . 1 1 60 60 GLU H H 60 8.085 8.085 7.793 0.292 25694 735 1 2 . 1 1 61 61 TYR N N 61 118.802 118.802 121.365 -2.563 25694 736 1 2 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.254 0.076 25694 737 1 2 . 1 1 61 61 TYR C C 61 177.629 177.629 176.810 0.819 25694 738 1 2 . 1 1 61 61 TYR CA C 61 61.281 61.281 60.972 0.309 25694 739 1 2 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.396 0.560 25694 740 1 2 . 1 1 61 61 TYR H H 61 7.666 7.666 7.782 -0.116 25694 741 1 2 . 1 1 62 62 LEU N N 62 119.351 119.351 120.025 -0.674 25694 742 1 2 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.746 0.121 25694 743 1 2 . 1 1 62 62 LEU C C 62 178.724 178.724 179.233 -0.509 25694 744 1 2 . 1 1 62 62 LEU CA C 62 57.619 57.619 58.045 -0.426 25694 745 1 2 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.577 0.613 25694 746 1 2 . 1 1 62 62 LEU H H 62 8.275 8.275 8.416 -0.141 25694 747 1 2 . 1 1 63 63 GLU N N 63 118.049 118.049 117.809 0.240 25694 748 1 2 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.012 -0.015 25694 749 1 2 . 1 1 63 63 GLU C C 63 178.649 178.649 178.742 -0.093 25694 750 1 2 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.937 0.206 25694 751 1 2 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.073 0.824 25694 752 1 2 . 1 1 63 63 GLU H H 63 8.066 8.066 7.926 0.140 25694 753 1 2 . 1 1 64 64 LYS N N 64 117.297 117.297 118.347 -1.050 25694 754 1 2 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.210 0.018 25694 755 1 2 . 1 1 64 64 LYS C C 64 178.085 178.085 178.807 -0.722 25694 756 1 2 . 1 1 64 64 LYS CA C 64 57.820 57.820 58.155 -0.335 25694 757 1 2 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.474 0.334 25694 758 1 2 . 1 1 64 64 LYS H H 64 7.572 7.572 7.405 0.167 25694 759 1 2 . 1 1 65 65 ALA N N 65 121.570 121.570 123.303 -1.733 25694 760 1 2 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.539 -0.365 25694 761 1 2 . 1 1 65 65 ALA C C 65 178.707 178.707 179.555 -0.848 25694 762 1 2 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.037 -0.237 25694 763 1 2 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.038 1.496 25694 764 1 2 . 1 1 65 65 ALA H H 65 7.964 7.964 7.922 0.042 25694 765 1 2 . 1 1 66 66 LEU N N 66 117.399 117.399 116.725 0.674 25694 766 1 2 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.948 0.377 25694 767 1 2 . 1 1 66 66 LEU C C 66 177.264 177.264 177.276 -0.012 25694 768 1 2 . 1 1 66 66 LEU CA C 66 55.457 55.457 57.299 -1.842 25694 769 1 2 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.721 0.779 25694 770 1 2 . 1 1 66 66 LEU H H 66 7.888 7.888 7.595 0.293 25694 771 1 2 . 1 1 67 67 ASN N N 67 118.846 118.846 116.983 1.863 25694 772 1 2 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.809 -0.039 25694 773 1 2 . 1 1 67 67 ASN C C 67 174.094 174.094 174.606 -0.512 25694 774 1 2 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.662 0.772 25694 775 1 2 . 1 1 67 67 ASN CB C 67 39.279 39.279 38.846 0.433 25694 776 1 2 . 1 1 67 67 ASN H H 67 7.959 7.959 7.629 0.330 25694 777 1 3 . 1 1 0 0 MET HA H 0 4.501 4.501 5.184 -0.683 25694 778 1 3 . 1 1 0 0 MET C C 0 176.102 176.102 173.893 2.209 25694 779 1 3 . 1 1 0 0 MET CA C 0 55.781 55.781 54.185 1.596 25694 780 1 3 . 1 1 0 0 MET CB C 0 33.455 33.455 34.285 -0.830 25694 781 1 3 . 1 1 1 1 LYS N N 1 124.708 124.708 121.961 2.747 25694 782 1 3 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.798 -0.160 25694 783 1 3 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.716 -0.230 25694 784 1 3 . 1 1 1 1 LYS CB C 1 32.808 32.808 32.282 0.526 25694 785 1 3 . 1 1 1 1 LYS H H 1 8.503 8.503 8.353 0.150 25694 786 1 3 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.413 0.071 25694 787 1 3 . 1 1 2 2 PRO C C 2 177.031 177.031 176.655 0.376 25694 788 1 3 . 1 1 2 2 PRO CA C 2 63.200 63.200 63.072 0.129 25694 789 1 3 . 1 1 2 2 PRO CB C 2 32.161 32.161 32.325 -0.164 25694 790 1 3 . 1 1 3 3 VAL N N 3 120.641 120.641 121.827 -1.186 25694 791 1 3 . 1 1 3 3 VAL HA H 3 4.119 4.119 3.802 0.317 25694 792 1 3 . 1 1 3 3 VAL C C 3 176.393 176.393 175.714 0.679 25694 793 1 3 . 1 1 3 3 VAL CA C 3 62.495 62.495 63.030 -0.535 25694 794 1 3 . 1 1 3 3 VAL CB C 3 33.100 33.100 32.110 0.990 25694 795 1 3 . 1 1 3 3 VAL H H 3 8.290 8.290 8.022 0.268 25694 796 1 3 . 1 1 4 4 SER N N 4 119.097 119.097 112.684 6.413 25694 797 1 3 . 1 1 4 4 SER HA H 4 4.470 4.470 4.384 0.086 25694 798 1 3 . 1 1 4 4 SER C C 4 174.617 174.617 173.532 1.085 25694 799 1 3 . 1 1 4 4 SER CA C 4 58.369 58.369 58.560 -0.191 25694 800 1 3 . 1 1 4 4 SER CB C 4 64.187 64.187 63.589 0.598 25694 801 1 3 . 1 1 4 4 SER H H 4 8.349 8.349 8.069 0.280 25694 802 1 3 . 1 1 5 5 LEU N N 5 124.723 124.723 122.297 2.426 25694 803 1 3 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.238 0.142 25694 804 1 3 . 1 1 5 5 LEU C C 5 177.355 177.355 177.808 -0.453 25694 805 1 3 . 1 1 5 5 LEU CA C 5 55.388 55.388 56.924 -1.536 25694 806 1 3 . 1 1 5 5 LEU CB C 5 42.515 42.515 42.260 0.255 25694 807 1 3 . 1 1 5 5 LEU H H 5 8.339 8.339 8.335 0.004 25694 808 1 3 . 1 1 6 6 SER N N 6 115.926 115.926 115.446 0.480 25694 809 1 3 . 1 1 6 6 SER HA H 6 4.414 4.414 4.631 -0.217 25694 810 1 3 . 1 1 6 6 SER C C 6 174.235 174.235 173.217 1.018 25694 811 1 3 . 1 1 6 6 SER CA C 6 58.369 58.369 57.517 0.853 25694 812 1 3 . 1 1 6 6 SER CB C 6 64.187 64.187 62.052 2.135 25694 813 1 3 . 1 1 6 6 SER H H 6 8.199 8.199 8.271 -0.072 25694 814 1 3 . 1 1 7 7 TYR N N 7 122.124 122.124 123.699 -1.575 25694 815 1 3 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.841 -0.265 25694 816 1 3 . 1 1 7 7 TYR C C 7 175.530 175.530 174.564 0.966 25694 817 1 3 . 1 1 7 7 TYR CA C 7 58.008 58.008 56.013 1.995 25694 818 1 3 . 1 1 7 7 TYR CB C 7 38.969 38.969 39.835 -0.866 25694 819 1 3 . 1 1 7 7 TYR H H 7 8.049 8.049 7.751 0.298 25694 820 1 3 . 1 1 8 8 ARG N N 8 121.947 121.947 119.484 2.463 25694 821 1 3 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.131 0.195 25694 822 1 3 . 1 1 8 8 ARG C C 8 175.845 175.845 174.851 0.994 25694 823 1 3 . 1 1 8 8 ARG CA C 8 56.104 56.104 55.682 0.422 25694 824 1 3 . 1 1 8 8 ARG CB C 8 31.100 31.100 30.720 0.380 25694 825 1 3 . 1 1 8 8 ARG H H 8 8.177 8.177 8.338 -0.161 25694 826 1 3 . 1 1 9 9 CYS N N 9 120.943 120.943 120.430 0.513 25694 827 1 3 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.562 0.392 25694 828 1 3 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.847 -3.720 25694 829 1 3 . 1 1 9 9 CYS CB C 9 40.218 40.218 26.339 13.879 25694 830 1 3 . 1 1 9 9 CYS H H 9 8.173 8.173 8.389 -0.216 25694 831 1 3 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.343 0.009 25694 832 1 3 . 1 1 10 10 PRO C C 10 177.347 177.347 176.775 0.572 25694 833 1 3 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.821 1.038 25694 834 1 3 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.265 0.243 25694 835 1 3 . 1 1 11 11 CYS N N 11 114.096 114.096 115.815 -1.719 25694 836 1 3 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.531 0.194 25694 837 1 3 . 1 1 11 11 CYS CA C 11 53.429 53.429 58.070 -4.641 25694 838 1 3 . 1 1 11 11 CYS CB C 11 39.279 39.279 25.270 14.009 25694 839 1 3 . 1 1 11 11 CYS H H 11 8.232 8.232 8.131 0.101 25694 840 1 3 . 1 1 12 12 ARG HA H 12 4.069 4.069 3.985 0.084 25694 841 1 3 . 1 1 12 12 ARG C C 12 175.106 175.106 175.351 -0.245 25694 842 1 3 . 1 1 12 12 ARG CA C 12 57.000 57.000 57.212 -0.212 25694 843 1 3 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.631 0.869 25694 844 1 3 . 1 1 13 13 PHE N N 13 116.259 116.259 117.534 -1.275 25694 845 1 3 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.546 0.084 25694 846 1 3 . 1 1 13 13 PHE C C 13 174.227 174.227 173.615 0.612 25694 847 1 3 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.228 -0.257 25694 848 1 3 . 1 1 13 13 PHE CB C 13 41.059 41.059 42.059 -1.000 25694 849 1 3 . 1 1 13 13 PHE H H 13 7.572 7.572 7.459 0.113 25694 850 1 3 . 1 1 14 14 PHE N N 14 119.623 119.623 117.968 1.655 25694 851 1 3 . 1 1 14 14 PHE HA H 14 4.936 4.936 5.017 -0.081 25694 852 1 3 . 1 1 14 14 PHE C C 14 175.496 175.496 175.199 0.297 25694 853 1 3 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.510 -0.363 25694 854 1 3 . 1 1 14 14 PHE CB C 14 41.544 41.544 42.386 -0.842 25694 855 1 3 . 1 1 14 14 PHE H H 14 8.450 8.450 8.335 0.115 25694 856 1 3 . 1 1 15 15 GLU N N 15 122.147 122.147 121.098 1.049 25694 857 1 3 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.699 -0.064 25694 858 1 3 . 1 1 15 15 GLU C C 15 176.990 176.990 175.300 1.690 25694 859 1 3 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.980 0.800 25694 860 1 3 . 1 1 15 15 GLU CB C 15 31.109 31.109 32.445 -1.336 25694 861 1 3 . 1 1 15 15 GLU H H 15 8.956 8.956 9.004 -0.048 25694 862 1 3 . 1 1 16 16 SER N N 16 119.943 119.943 114.575 5.368 25694 863 1 3 . 1 1 16 16 SER HA H 16 4.598 4.598 4.389 0.209 25694 864 1 3 . 1 1 16 16 SER C C 16 174.385 174.385 173.128 1.257 25694 865 1 3 . 1 1 16 16 SER CA C 16 59.799 59.799 57.340 2.458 25694 866 1 3 . 1 1 16 16 SER CB C 16 64.517 64.517 63.952 0.565 25694 867 1 3 . 1 1 16 16 SER H H 16 8.943 8.943 8.201 0.742 25694 868 1 3 . 1 1 17 17 HIS N N 17 119.124 119.124 118.323 0.801 25694 869 1 3 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.386 0.314 25694 870 1 3 . 1 1 17 17 HIS C C 17 174.567 174.567 173.726 0.841 25694 871 1 3 . 1 1 17 17 HIS CA C 17 56.751 56.751 56.307 0.444 25694 872 1 3 . 1 1 17 17 HIS CB C 17 29.896 29.896 27.198 2.699 25694 873 1 3 . 1 1 17 17 HIS H H 17 8.649 8.649 8.501 0.148 25694 874 1 3 . 1 1 18 18 VAL N N 18 121.960 121.960 119.881 2.079 25694 875 1 3 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.269 -0.112 25694 876 1 3 . 1 1 18 18 VAL C C 18 175.140 175.140 174.842 0.298 25694 877 1 3 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.557 0.371 25694 878 1 3 . 1 1 18 18 VAL CB C 18 33.700 33.700 32.754 0.946 25694 879 1 3 . 1 1 18 18 VAL H H 18 7.876 7.876 8.028 -0.152 25694 880 1 3 . 1 1 19 19 ALA N N 19 132.226 132.226 128.503 3.723 25694 881 1 3 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.697 -0.182 25694 882 1 3 . 1 1 19 19 ALA C C 19 178.060 178.060 177.255 0.805 25694 883 1 3 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.246 1.254 25694 884 1 3 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.639 -1.755 25694 885 1 3 . 1 1 19 19 ALA H H 19 8.843 8.843 8.654 0.189 25694 886 1 3 . 1 1 20 20 ARG N N 20 125.791 125.791 124.006 1.785 25694 887 1 3 . 1 1 20 20 ARG HA H 20 2.837 2.837 2.860 -0.023 25694 888 1 3 . 1 1 20 20 ARG C C 20 178.459 178.459 176.095 2.364 25694 889 1 3 . 1 1 20 20 ARG CA C 20 58.639 58.639 57.772 0.867 25694 890 1 3 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.306 -0.381 25694 891 1 3 . 1 1 20 20 ARG H H 20 8.196 8.196 8.083 0.113 25694 892 1 3 . 1 1 21 21 ALA N N 21 117.396 117.396 117.187 0.209 25694 893 1 3 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.146 -0.064 25694 894 1 3 . 1 1 21 21 ALA C C 21 177.745 177.745 177.633 0.112 25694 895 1 3 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.510 0.299 25694 896 1 3 . 1 1 21 21 ALA CB C 21 18.884 18.884 19.168 -0.284 25694 897 1 3 . 1 1 21 21 ALA H H 21 8.309 8.309 7.857 0.452 25694 898 1 3 . 1 1 22 22 ASN N N 22 113.201 113.201 114.933 -1.732 25694 899 1 3 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.737 0.237 25694 900 1 3 . 1 1 22 22 ASN C C 22 174.999 174.999 174.561 0.438 25694 901 1 3 . 1 1 22 22 ASN CA C 22 52.590 52.590 53.160 -0.570 25694 902 1 3 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.389 0.511 25694 903 1 3 . 1 1 22 22 ASN H H 22 7.796 7.796 7.969 -0.173 25694 904 1 3 . 1 1 23 23 VAL N N 23 117.829 117.829 114.937 2.892 25694 905 1 3 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.734 -0.246 25694 906 1 3 . 1 1 23 23 VAL C C 23 174.393 174.393 174.843 -0.450 25694 907 1 3 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.647 1.603 25694 908 1 3 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.252 -0.552 25694 909 1 3 . 1 1 23 23 VAL H H 23 7.477 7.477 7.123 0.354 25694 910 1 3 . 1 1 24 24 LYS N N 24 123.962 123.962 121.899 2.063 25694 911 1 3 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.512 -0.032 25694 912 1 3 . 1 1 24 24 LYS C C 24 175.090 175.090 177.057 -1.967 25694 913 1 3 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.460 -0.356 25694 914 1 3 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.527 1.869 25694 915 1 3 . 1 1 24 24 LYS H H 24 9.276 9.276 8.811 0.465 25694 916 1 3 . 1 1 25 25 HIS N N 25 115.921 115.921 118.597 -2.676 25694 917 1 3 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.832 -0.129 25694 918 1 3 . 1 1 25 25 HIS C C 25 173.364 173.364 172.714 0.650 25694 919 1 3 . 1 1 25 25 HIS CA C 25 55.781 55.781 56.354 -0.573 25694 920 1 3 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.284 -0.123 25694 921 1 3 . 1 1 25 25 HIS H H 25 7.964 7.964 7.795 0.169 25694 922 1 3 . 1 1 26 26 LEU N N 26 122.215 122.215 125.261 -3.046 25694 923 1 3 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.246 -0.278 25694 924 1 3 . 1 1 26 26 LEU C C 26 175.720 175.720 175.735 -0.015 25694 925 1 3 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.385 2.072 25694 926 1 3 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.911 -0.317 25694 927 1 3 . 1 1 26 26 LEU H H 26 8.076 8.076 8.424 -0.348 25694 928 1 3 . 1 1 27 27 LYS N N 27 122.738 122.738 119.446 3.292 25694 929 1 3 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.547 0.222 25694 930 1 3 . 1 1 27 27 LYS C C 27 173.953 173.953 174.802 -0.849 25694 931 1 3 . 1 1 27 27 LYS CA C 27 55.130 55.130 55.165 -0.035 25694 932 1 3 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.834 0.466 25694 933 1 3 . 1 1 27 27 LYS H H 27 9.113 9.113 8.803 0.310 25694 934 1 3 . 1 1 28 28 ILE N N 28 122.212 122.212 123.091 -0.879 25694 935 1 3 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.435 0.341 25694 936 1 3 . 1 1 28 28 ILE C C 28 175.895 175.895 175.685 0.210 25694 937 1 3 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.918 0.282 25694 938 1 3 . 1 1 28 28 ILE CB C 28 39.200 39.200 37.330 1.870 25694 939 1 3 . 1 1 28 28 ILE H H 28 8.535 8.535 8.602 -0.067 25694 940 1 3 . 1 1 29 29 LEU N N 29 128.977 128.977 132.405 -3.428 25694 941 1 3 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.668 0.047 25694 942 1 3 . 1 1 29 29 LEU C C 29 175.438 175.438 174.487 0.951 25694 943 1 3 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.340 0.760 25694 944 1 3 . 1 1 29 29 LEU CB C 29 44.132 44.132 42.680 1.452 25694 945 1 3 . 1 1 29 29 LEU H H 29 9.137 9.137 8.499 0.638 25694 946 1 3 . 1 1 30 30 ASN N N 30 124.331 124.331 123.301 1.030 25694 947 1 3 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.971 0.174 25694 948 1 3 . 1 1 30 30 ASN C C 30 174.335 174.335 174.874 -0.539 25694 949 1 3 . 1 1 30 30 ASN CA C 30 52.413 52.413 50.944 1.470 25694 950 1 3 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.183 1.417 25694 951 1 3 . 1 1 30 30 ASN H H 30 8.824 8.824 8.387 0.437 25694 952 1 3 . 1 1 31 31 THR N N 31 118.685 118.685 114.858 3.827 25694 953 1 3 . 1 1 31 31 THR HA H 31 4.796 4.796 4.742 0.054 25694 954 1 3 . 1 1 31 31 THR CA C 31 59.600 59.600 59.218 0.382 25694 955 1 3 . 1 1 31 31 THR CB C 31 70.459 70.459 68.756 1.703 25694 956 1 3 . 1 1 31 31 THR H H 31 8.456 8.456 7.829 0.627 25694 957 1 3 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.302 -0.012 25694 958 1 3 . 1 1 32 32 PRO C C 32 177.197 177.197 177.198 -0.001 25694 959 1 3 . 1 1 32 32 PRO CA C 32 64.841 64.841 65.057 -0.216 25694 960 1 3 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.873 0.297 25694 961 1 3 . 1 1 33 33 ASN N N 33 112.484 112.484 114.178 -1.694 25694 962 1 3 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.768 -0.286 25694 963 1 3 . 1 1 33 33 ASN C C 33 174.526 174.526 174.798 -0.272 25694 964 1 3 . 1 1 33 33 ASN CA C 33 54.945 54.945 53.256 1.689 25694 965 1 3 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.511 0.121 25694 966 1 3 . 1 1 33 33 ASN H H 33 8.470 8.470 8.552 -0.082 25694 967 1 3 . 1 1 34 34 CYS N N 34 116.720 116.720 116.538 0.182 25694 968 1 3 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.578 0.349 25694 969 1 3 . 1 1 34 34 CYS C C 34 173.762 173.762 172.592 1.170 25694 970 1 3 . 1 1 34 34 CYS CA C 34 54.810 54.810 56.916 -2.106 25694 971 1 3 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.642 14.458 25694 972 1 3 . 1 1 34 34 CYS H H 34 7.663 7.663 7.499 0.164 25694 973 1 3 . 1 1 35 35 ALA N N 35 125.254 125.254 122.066 3.188 25694 974 1 3 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.560 -0.263 25694 975 1 3 . 1 1 35 35 ALA C C 35 176.882 176.882 176.141 0.741 25694 976 1 3 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.051 1.361 25694 977 1 3 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.252 -1.284 25694 978 1 3 . 1 1 35 35 ALA H H 35 8.449 8.449 8.196 0.253 25694 979 1 3 . 1 1 36 36 LEU N N 36 122.078 122.078 119.574 2.504 25694 980 1 3 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.690 -0.289 25694 981 1 3 . 1 1 36 36 LEU C C 36 176.442 176.442 176.244 0.198 25694 982 1 3 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.675 2.076 25694 983 1 3 . 1 1 36 36 LEU CB C 36 42.465 42.465 42.980 -0.515 25694 984 1 3 . 1 1 36 36 LEU H H 36 8.073 8.073 8.195 -0.122 25694 985 1 3 . 1 1 37 37 GLN N N 37 121.790 121.790 125.055 -3.265 25694 986 1 3 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.772 -0.024 25694 987 1 3 . 1 1 37 37 GLN C C 37 173.804 173.804 174.761 -0.957 25694 988 1 3 . 1 1 37 37 GLN CA C 37 54.400 54.400 53.357 1.043 25694 989 1 3 . 1 1 37 37 GLN CB C 37 32.463 32.463 31.916 0.547 25694 990 1 3 . 1 1 37 37 GLN H H 37 8.397 8.397 9.138 -0.741 25694 991 1 3 . 1 1 38 38 ILE N N 38 123.702 123.702 124.691 -0.989 25694 992 1 3 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.363 0.382 25694 993 1 3 . 1 1 38 38 ILE C C 38 174.808 174.808 175.130 -0.322 25694 994 1 3 . 1 1 38 38 ILE CA C 38 60.950 60.950 59.393 1.557 25694 995 1 3 . 1 1 38 38 ILE CB C 38 39.600 39.600 37.000 2.600 25694 996 1 3 . 1 1 38 38 ILE H H 38 9.213 9.213 8.929 0.284 25694 997 1 3 . 1 1 39 39 VAL N N 39 125.930 125.930 129.636 -3.706 25694 998 1 3 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.298 0.718 25694 999 1 3 . 1 1 39 39 VAL C C 39 174.741 174.741 173.927 0.814 25694 1000 1 3 . 1 1 39 39 VAL CA C 39 60.950 60.950 61.446 -0.496 25694 1001 1 3 . 1 1 39 39 VAL CB C 39 34.426 34.426 32.486 1.940 25694 1002 1 3 . 1 1 39 39 VAL H H 39 9.056 9.056 8.372 0.684 25694 1003 1 3 . 1 1 40 40 ALA N N 40 127.551 127.551 130.907 -3.356 25694 1004 1 3 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.350 -0.018 25694 1005 1 3 . 1 1 40 40 ALA C C 40 175.948 175.948 175.690 0.258 25694 1006 1 3 . 1 1 40 40 ALA CA C 40 50.280 50.280 49.884 0.396 25694 1007 1 3 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.182 0.881 25694 1008 1 3 . 1 1 40 40 ALA H H 40 9.335 9.335 9.382 -0.047 25694 1009 1 3 . 1 1 41 41 ARG N N 41 118.658 118.658 121.681 -3.023 25694 1010 1 3 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.142 0.077 25694 1011 1 3 . 1 1 41 41 ARG C C 41 176.310 176.310 175.641 0.669 25694 1012 1 3 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.069 1.031 25694 1013 1 3 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.959 0.469 25694 1014 1 3 . 1 1 41 41 ARG H H 41 8.511 8.511 9.146 -0.635 25694 1015 1 3 . 1 1 42 42 LEU N N 42 125.307 125.307 125.288 0.019 25694 1016 1 3 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.620 0.306 25694 1017 1 3 . 1 1 42 42 LEU C C 42 178.475 178.475 178.207 0.268 25694 1018 1 3 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.656 -1.327 25694 1019 1 3 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.117 -0.620 25694 1020 1 3 . 1 1 42 42 LEU H H 42 9.038 9.038 9.107 -0.069 25694 1021 1 3 . 1 1 43 43 LYS N N 43 120.597 120.597 123.900 -3.303 25694 1022 1 3 . 1 1 43 43 LYS HA H 43 3.833 3.833 4.017 -0.184 25694 1023 1 3 . 1 1 43 43 LYS C C 43 178.342 178.342 178.236 0.106 25694 1024 1 3 . 1 1 43 43 LYS CA C 43 59.340 59.340 59.891 -0.551 25694 1025 1 3 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.518 0.927 25694 1026 1 3 . 1 1 43 43 LYS H H 43 8.480 8.480 8.788 -0.308 25694 1027 1 3 . 1 1 44 44 ASN N N 44 114.812 114.812 116.350 -1.538 25694 1028 1 3 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.579 -0.103 25694 1029 1 3 . 1 1 44 44 ASN C C 44 176.032 176.032 176.567 -0.535 25694 1030 1 3 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.111 0.669 25694 1031 1 3 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.680 -0.173 25694 1032 1 3 . 1 1 44 44 ASN H H 44 8.725 8.725 8.418 0.307 25694 1033 1 3 . 1 1 45 45 ASN N N 45 115.093 115.093 118.452 -3.359 25694 1034 1 3 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.598 0.140 25694 1035 1 3 . 1 1 45 45 ASN C C 45 175.513 175.513 174.983 0.530 25694 1036 1 3 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.866 -0.097 25694 1037 1 3 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.719 0.492 25694 1038 1 3 . 1 1 45 45 ASN H H 45 7.519 7.519 8.148 -0.629 25694 1039 1 3 . 1 1 46 46 ASN N N 46 116.121 116.121 113.663 2.458 25694 1040 1 3 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.605 0.064 25694 1041 1 3 . 1 1 46 46 ASN C C 46 174.816 174.816 173.843 0.973 25694 1042 1 3 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.731 0.069 25694 1043 1 3 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.607 1.672 25694 1044 1 3 . 1 1 46 46 ASN H H 46 8.033 8.033 8.647 -0.614 25694 1045 1 3 . 1 1 47 47 ARG N N 47 119.917 119.917 117.795 2.122 25694 1046 1 3 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.474 -0.221 25694 1047 1 3 . 1 1 47 47 ARG C C 47 175.845 175.845 175.409 0.436 25694 1048 1 3 . 1 1 47 47 ARG CA C 47 57.084 57.084 55.683 1.401 25694 1049 1 3 . 1 1 47 47 ARG CB C 47 31.785 31.785 31.588 0.197 25694 1050 1 3 . 1 1 47 47 ARG H H 47 7.981 7.981 8.017 -0.036 25694 1051 1 3 . 1 1 48 48 GLN N N 48 123.497 123.497 122.774 0.723 25694 1052 1 3 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.121 0.121 25694 1053 1 3 . 1 1 48 48 GLN C C 48 175.629 175.629 175.024 0.605 25694 1054 1 3 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.587 0.192 25694 1055 1 3 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.098 1.092 25694 1056 1 3 . 1 1 48 48 GLN H H 48 8.737 8.737 8.464 0.273 25694 1057 1 3 . 1 1 49 49 VAL N N 49 119.819 119.819 125.014 -5.195 25694 1058 1 3 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.475 0.298 25694 1059 1 3 . 1 1 49 49 VAL C C 49 174.235 174.235 173.614 0.621 25694 1060 1 3 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.282 -1.016 25694 1061 1 3 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.013 -0.013 25694 1062 1 3 . 1 1 49 49 VAL H H 49 9.150 9.150 9.163 -0.013 25694 1063 1 3 . 1 1 50 50 CYS N N 50 120.721 120.721 125.389 -4.668 25694 1064 1 3 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.506 0.147 25694 1065 1 3 . 1 1 50 50 CYS C C 50 174.078 174.078 175.472 -1.394 25694 1066 1 3 . 1 1 50 50 CYS CA C 50 56.428 56.428 58.022 -1.594 25694 1067 1 3 . 1 1 50 50 CYS CB C 50 45.270 45.270 27.156 18.114 25694 1068 1 3 . 1 1 50 50 CYS H H 50 8.854 8.854 8.888 -0.034 25694 1069 1 3 . 1 1 51 51 ILE N N 51 124.038 124.038 123.462 0.576 25694 1070 1 3 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.271 0.239 25694 1071 1 3 . 1 1 51 51 ILE C C 51 174.775 174.775 174.826 -0.051 25694 1072 1 3 . 1 1 51 51 ILE CA C 51 59.300 59.300 61.039 -1.739 25694 1073 1 3 . 1 1 51 51 ILE CB C 51 39.603 39.603 39.593 0.010 25694 1074 1 3 . 1 1 51 51 ILE H H 51 8.934 8.934 8.372 0.562 25694 1075 1 3 . 1 1 52 52 ASP N N 52 127.393 127.393 123.553 3.840 25694 1076 1 3 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.201 -0.456 25694 1077 1 3 . 1 1 52 52 ASP CA C 52 51.890 51.890 50.658 1.232 25694 1078 1 3 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.280 0.882 25694 1079 1 3 . 1 1 52 52 ASP H H 52 8.098 8.098 8.221 -0.123 25694 1080 1 3 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.224 -0.139 25694 1081 1 3 . 1 1 53 53 PRO C C 53 176.500 176.500 176.012 0.488 25694 1082 1 3 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.173 1.337 25694 1083 1 3 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.093 1.179 25694 1084 1 3 . 1 1 54 54 LYS N N 54 116.899 116.899 116.983 -0.084 25694 1085 1 3 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.292 -0.087 25694 1086 1 3 . 1 1 54 54 LYS C C 54 176.791 176.791 177.078 -0.287 25694 1087 1 3 . 1 1 54 54 LYS CA C 54 55.700 55.700 56.097 -0.397 25694 1088 1 3 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.750 -1.950 25694 1089 1 3 . 1 1 54 54 LYS H H 54 8.129 8.129 7.202 0.927 25694 1090 1 3 . 1 1 55 55 CYS N N 55 119.988 119.988 119.972 0.016 25694 1091 1 3 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.455 -0.058 25694 1092 1 3 . 1 1 55 55 CYS CA C 55 57.075 57.075 57.733 -0.658 25694 1093 1 3 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.128 13.416 25694 1094 1 3 . 1 1 55 55 CYS H H 55 7.989 7.989 7.571 0.418 25694 1095 1 3 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.192 -0.065 25694 1096 1 3 . 1 1 56 56 LYS C C 56 178.326 178.326 177.774 0.552 25694 1097 1 3 . 1 1 56 56 LYS CA C 56 60.600 60.600 58.830 1.770 25694 1098 1 3 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.595 0.205 25694 1099 1 3 . 1 1 57 57 TRP N N 57 114.860 114.860 117.269 -2.409 25694 1100 1 3 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.673 0.232 25694 1101 1 3 . 1 1 57 57 TRP C C 57 177.803 177.803 177.731 0.072 25694 1102 1 3 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.959 -1.719 25694 1103 1 3 . 1 1 57 57 TRP CB C 57 28.925 28.925 27.683 1.242 25694 1104 1 3 . 1 1 57 57 TRP H H 57 7.274 7.274 7.800 -0.526 25694 1105 1 3 . 1 1 58 58 CYS N N 58 121.960 121.960 117.702 4.258 25694 1106 1 3 . 1 1 58 58 CYS HA H 58 3.917 3.917 3.402 0.515 25694 1107 1 3 . 1 1 58 58 CYS C C 58 175.480 175.480 177.106 -1.626 25694 1108 1 3 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.440 4.395 25694 1109 1 3 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.313 11.054 25694 1110 1 3 . 1 1 58 58 CYS H H 58 7.780 7.780 7.174 0.606 25694 1111 1 3 . 1 1 59 59 GLN N N 59 119.203 119.203 121.768 -2.565 25694 1112 1 3 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.931 0.016 25694 1113 1 3 . 1 1 59 59 GLN C C 59 178.152 178.152 178.069 0.083 25694 1114 1 3 . 1 1 59 59 GLN CA C 59 59.663 59.663 59.174 0.489 25694 1115 1 3 . 1 1 59 59 GLN CB C 59 27.972 27.972 28.425 -0.453 25694 1116 1 3 . 1 1 59 59 GLN H H 59 8.073 8.073 7.780 0.293 25694 1117 1 3 . 1 1 60 60 GLU N N 60 118.831 118.831 119.347 -0.516 25694 1118 1 3 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.081 0.040 25694 1119 1 3 . 1 1 60 60 GLU C C 60 178.367 178.367 178.977 -0.610 25694 1120 1 3 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.914 0.426 25694 1121 1 3 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.800 0.096 25694 1122 1 3 . 1 1 60 60 GLU H H 60 8.085 8.085 7.709 0.376 25694 1123 1 3 . 1 1 61 61 TYR N N 61 118.802 118.802 121.550 -2.748 25694 1124 1 3 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.211 0.119 25694 1125 1 3 . 1 1 61 61 TYR C C 61 177.629 177.629 176.931 0.698 25694 1126 1 3 . 1 1 61 61 TYR CA C 61 61.281 61.281 61.058 0.223 25694 1127 1 3 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.247 0.709 25694 1128 1 3 . 1 1 61 61 TYR H H 61 7.666 7.666 8.303 -0.637 25694 1129 1 3 . 1 1 62 62 LEU N N 62 119.351 119.351 119.765 -0.414 25694 1130 1 3 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.678 0.189 25694 1131 1 3 . 1 1 62 62 LEU C C 62 178.724 178.724 179.209 -0.485 25694 1132 1 3 . 1 1 62 62 LEU CA C 62 57.619 57.619 58.015 -0.396 25694 1133 1 3 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.425 0.765 25694 1134 1 3 . 1 1 62 62 LEU H H 62 8.275 8.275 8.275 0.000 25694 1135 1 3 . 1 1 63 63 GLU N N 63 118.049 118.049 117.623 0.426 25694 1136 1 3 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.022 -0.025 25694 1137 1 3 . 1 1 63 63 GLU C C 63 178.649 178.649 178.987 -0.338 25694 1138 1 3 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.946 0.197 25694 1139 1 3 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.039 0.857 25694 1140 1 3 . 1 1 63 63 GLU H H 63 8.066 8.066 7.722 0.344 25694 1141 1 3 . 1 1 64 64 LYS N N 64 117.297 117.297 118.542 -1.245 25694 1142 1 3 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.143 0.085 25694 1143 1 3 . 1 1 64 64 LYS C C 64 178.085 178.085 179.057 -0.972 25694 1144 1 3 . 1 1 64 64 LYS CA C 64 57.820 57.820 58.850 -1.030 25694 1145 1 3 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.661 0.147 25694 1146 1 3 . 1 1 64 64 LYS H H 64 7.572 7.572 7.613 -0.041 25694 1147 1 3 . 1 1 65 65 ALA N N 65 121.570 121.570 122.473 -0.903 25694 1148 1 3 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.376 -0.202 25694 1149 1 3 . 1 1 65 65 ALA C C 65 178.707 178.707 179.404 -0.697 25694 1150 1 3 . 1 1 65 65 ALA CA C 65 53.800 53.800 53.988 -0.188 25694 1151 1 3 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.129 1.405 25694 1152 1 3 . 1 1 65 65 ALA H H 65 7.964 7.964 8.056 -0.092 25694 1153 1 3 . 1 1 66 66 LEU N N 66 117.399 117.399 116.507 0.892 25694 1154 1 3 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.948 0.377 25694 1155 1 3 . 1 1 66 66 LEU C C 66 177.264 177.264 177.607 -0.343 25694 1156 1 3 . 1 1 66 66 LEU CA C 66 55.457 55.457 57.266 -1.809 25694 1157 1 3 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.812 0.688 25694 1158 1 3 . 1 1 66 66 LEU H H 66 7.888 7.888 7.625 0.263 25694 1159 1 3 . 1 1 67 67 ASN N N 67 118.846 118.846 116.889 1.957 25694 1160 1 3 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.779 -0.009 25694 1161 1 3 . 1 1 67 67 ASN C C 67 174.094 174.094 174.385 -0.291 25694 1162 1 3 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.587 0.848 25694 1163 1 3 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.113 0.166 25694 1164 1 3 . 1 1 67 67 ASN H H 67 7.959 7.959 7.644 0.315 25694 1165 1 4 . 1 1 0 0 MET HA H 0 4.501 4.501 4.612 -0.111 25694 1166 1 4 . 1 1 0 0 MET C C 0 176.102 176.102 175.858 0.244 25694 1167 1 4 . 1 1 0 0 MET CA C 0 55.781 55.781 55.221 0.560 25694 1168 1 4 . 1 1 0 0 MET CB C 0 33.455 33.455 33.194 0.261 25694 1169 1 4 . 1 1 1 1 LYS N N 1 124.708 124.708 126.422 -1.714 25694 1170 1 4 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.775 -0.137 25694 1171 1 4 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.664 -0.178 25694 1172 1 4 . 1 1 1 1 LYS CB C 1 32.808 32.808 31.489 1.319 25694 1173 1 4 . 1 1 1 1 LYS H H 1 8.503 8.503 8.098 0.405 25694 1174 1 4 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.169 0.315 25694 1175 1 4 . 1 1 2 2 PRO C C 2 177.031 177.031 176.828 0.203 25694 1176 1 4 . 1 1 2 2 PRO CA C 2 63.200 63.200 65.223 -2.023 25694 1177 1 4 . 1 1 2 2 PRO CB C 2 32.161 32.161 31.458 0.703 25694 1178 1 4 . 1 1 3 3 VAL N N 3 120.641 120.641 113.619 7.022 25694 1179 1 4 . 1 1 3 3 VAL HA H 3 4.119 4.119 4.283 -0.164 25694 1180 1 4 . 1 1 3 3 VAL C C 3 176.393 176.393 175.475 0.918 25694 1181 1 4 . 1 1 3 3 VAL CA C 3 62.495 62.495 61.683 0.812 25694 1182 1 4 . 1 1 3 3 VAL CB C 3 33.100 33.100 31.645 1.455 25694 1183 1 4 . 1 1 3 3 VAL H H 3 8.290 8.290 7.519 0.771 25694 1184 1 4 . 1 1 4 4 SER N N 4 119.097 119.097 120.116 -1.019 25694 1185 1 4 . 1 1 4 4 SER HA H 4 4.470 4.470 4.418 0.052 25694 1186 1 4 . 1 1 4 4 SER C C 4 174.617 174.617 174.946 -0.329 25694 1187 1 4 . 1 1 4 4 SER CA C 4 58.369 58.369 58.755 -0.386 25694 1188 1 4 . 1 1 4 4 SER CB C 4 64.187 64.187 63.747 0.440 25694 1189 1 4 . 1 1 4 4 SER H H 4 8.349 8.349 8.520 -0.171 25694 1190 1 4 . 1 1 5 5 LEU N N 5 124.723 124.723 121.018 3.705 25694 1191 1 4 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.184 0.196 25694 1192 1 4 . 1 1 5 5 LEU C C 5 177.355 177.355 175.294 2.061 25694 1193 1 4 . 1 1 5 5 LEU CA C 5 55.388 55.388 55.192 0.196 25694 1194 1 4 . 1 1 5 5 LEU CB C 5 42.515 42.515 42.782 -0.267 25694 1195 1 4 . 1 1 5 5 LEU H H 5 8.339 8.339 7.932 0.407 25694 1196 1 4 . 1 1 6 6 SER N N 6 115.926 115.926 117.782 -1.856 25694 1197 1 4 . 1 1 6 6 SER HA H 6 4.414 4.414 4.376 0.038 25694 1198 1 4 . 1 1 6 6 SER C C 6 174.235 174.235 173.128 1.107 25694 1199 1 4 . 1 1 6 6 SER CA C 6 58.369 58.369 59.241 -0.872 25694 1200 1 4 . 1 1 6 6 SER CB C 6 64.187 64.187 62.917 1.270 25694 1201 1 4 . 1 1 6 6 SER H H 6 8.199 8.199 8.340 -0.141 25694 1202 1 4 . 1 1 7 7 TYR N N 7 122.124 122.124 122.070 0.054 25694 1203 1 4 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.753 -0.177 25694 1204 1 4 . 1 1 7 7 TYR C C 7 175.530 175.530 173.721 1.809 25694 1205 1 4 . 1 1 7 7 TYR CA C 7 58.008 58.008 56.357 1.651 25694 1206 1 4 . 1 1 7 7 TYR CB C 7 38.969 38.969 39.537 -0.568 25694 1207 1 4 . 1 1 7 7 TYR H H 7 8.049 8.049 7.846 0.203 25694 1208 1 4 . 1 1 8 8 ARG N N 8 121.947 121.947 119.779 2.168 25694 1209 1 4 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.335 -0.009 25694 1210 1 4 . 1 1 8 8 ARG C C 8 175.845 175.845 175.799 0.046 25694 1211 1 4 . 1 1 8 8 ARG CA C 8 56.104 56.104 55.039 1.065 25694 1212 1 4 . 1 1 8 8 ARG CB C 8 31.100 31.100 31.769 -0.669 25694 1213 1 4 . 1 1 8 8 ARG H H 8 8.177 8.177 8.329 -0.152 25694 1214 1 4 . 1 1 9 9 CYS N N 9 120.943 120.943 120.352 0.591 25694 1215 1 4 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.455 0.499 25694 1216 1 4 . 1 1 9 9 CYS CA C 9 53.127 53.127 57.142 -4.015 25694 1217 1 4 . 1 1 9 9 CYS CB C 9 40.218 40.218 25.428 14.790 25694 1218 1 4 . 1 1 9 9 CYS H H 9 8.173 8.173 8.486 -0.313 25694 1219 1 4 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.482 -0.130 25694 1220 1 4 . 1 1 10 10 PRO C C 10 177.347 177.347 176.634 0.713 25694 1221 1 4 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.947 0.912 25694 1222 1 4 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.414 0.094 25694 1223 1 4 . 1 1 11 11 CYS N N 11 114.096 114.096 120.150 -6.054 25694 1224 1 4 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.057 0.668 25694 1225 1 4 . 1 1 11 11 CYS CA C 11 53.429 53.429 57.349 -3.920 25694 1226 1 4 . 1 1 11 11 CYS CB C 11 39.279 39.279 25.352 13.928 25694 1227 1 4 . 1 1 11 11 CYS H H 11 8.232 8.232 7.983 0.249 25694 1228 1 4 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.305 -0.236 25694 1229 1 4 . 1 1 12 12 ARG C C 12 175.106 175.106 175.346 -0.240 25694 1230 1 4 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.249 0.751 25694 1231 1 4 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.558 0.942 25694 1232 1 4 . 1 1 13 13 PHE N N 13 116.259 116.259 117.096 -0.837 25694 1233 1 4 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.688 -0.058 25694 1234 1 4 . 1 1 13 13 PHE C C 13 174.227 174.227 172.997 1.230 25694 1235 1 4 . 1 1 13 13 PHE CA C 13 55.971 55.971 55.844 0.127 25694 1236 1 4 . 1 1 13 13 PHE CB C 13 41.059 41.059 40.588 0.471 25694 1237 1 4 . 1 1 13 13 PHE H H 13 7.572 7.572 6.774 0.798 25694 1238 1 4 . 1 1 14 14 PHE N N 14 119.623 119.623 117.892 1.731 25694 1239 1 4 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.717 0.219 25694 1240 1 4 . 1 1 14 14 PHE C C 14 175.496 175.496 174.236 1.260 25694 1241 1 4 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.733 -0.586 25694 1242 1 4 . 1 1 14 14 PHE CB C 14 41.544 41.544 42.031 -0.487 25694 1243 1 4 . 1 1 14 14 PHE H H 14 8.450 8.450 8.187 0.263 25694 1244 1 4 . 1 1 15 15 GLU N N 15 122.147 122.147 120.872 1.275 25694 1245 1 4 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.698 -0.063 25694 1246 1 4 . 1 1 15 15 GLU C C 15 176.990 176.990 176.077 0.913 25694 1247 1 4 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.314 1.466 25694 1248 1 4 . 1 1 15 15 GLU CB C 15 31.109 31.109 32.187 -1.078 25694 1249 1 4 . 1 1 15 15 GLU H H 15 8.956 8.956 8.874 0.082 25694 1250 1 4 . 1 1 16 16 SER N N 16 119.943 119.943 118.055 1.888 25694 1251 1 4 . 1 1 16 16 SER HA H 16 4.598 4.598 4.315 0.283 25694 1252 1 4 . 1 1 16 16 SER C C 16 174.385 174.385 174.537 -0.152 25694 1253 1 4 . 1 1 16 16 SER CA C 16 59.799 59.799 60.365 -0.566 25694 1254 1 4 . 1 1 16 16 SER CB C 16 64.517 64.517 63.541 0.976 25694 1255 1 4 . 1 1 16 16 SER H H 16 8.943 8.943 8.678 0.265 25694 1256 1 4 . 1 1 17 17 HIS N N 17 119.124 119.124 119.005 0.119 25694 1257 1 4 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.898 -0.198 25694 1258 1 4 . 1 1 17 17 HIS C C 17 174.567 174.567 173.808 0.759 25694 1259 1 4 . 1 1 17 17 HIS CA C 17 56.751 56.751 54.075 2.676 25694 1260 1 4 . 1 1 17 17 HIS CB C 17 29.896 29.896 29.105 0.791 25694 1261 1 4 . 1 1 17 17 HIS H H 17 8.649 8.649 8.016 0.633 25694 1262 1 4 . 1 1 18 18 VAL N N 18 121.960 121.960 123.560 -1.600 25694 1263 1 4 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.270 -0.113 25694 1264 1 4 . 1 1 18 18 VAL C C 18 175.140 175.140 174.766 0.374 25694 1265 1 4 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.927 0.001 25694 1266 1 4 . 1 1 18 18 VAL CB C 18 33.700 33.700 33.206 0.494 25694 1267 1 4 . 1 1 18 18 VAL H H 18 7.876 7.876 8.129 -0.253 25694 1268 1 4 . 1 1 19 19 ALA N N 19 132.226 132.226 129.263 2.963 25694 1269 1 4 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.838 -0.323 25694 1270 1 4 . 1 1 19 19 ALA C C 19 178.060 178.060 177.423 0.637 25694 1271 1 4 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.093 1.407 25694 1272 1 4 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.454 -1.570 25694 1273 1 4 . 1 1 19 19 ALA H H 19 8.843 8.843 8.666 0.177 25694 1274 1 4 . 1 1 20 20 ARG N N 20 125.791 125.791 123.708 2.083 25694 1275 1 4 . 1 1 20 20 ARG HA H 20 2.837 2.837 2.877 -0.040 25694 1276 1 4 . 1 1 20 20 ARG C C 20 178.459 178.459 176.582 1.877 25694 1277 1 4 . 1 1 20 20 ARG CA C 20 58.639 58.639 57.842 0.797 25694 1278 1 4 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.281 -0.356 25694 1279 1 4 . 1 1 20 20 ARG H H 20 8.196 8.196 8.190 0.006 25694 1280 1 4 . 1 1 21 21 ALA N N 21 117.396 117.396 119.155 -1.759 25694 1281 1 4 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.129 -0.047 25694 1282 1 4 . 1 1 21 21 ALA C C 21 177.745 177.745 176.708 1.037 25694 1283 1 4 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.546 0.263 25694 1284 1 4 . 1 1 21 21 ALA CB C 21 18.884 18.884 19.226 -0.342 25694 1285 1 4 . 1 1 21 21 ALA H H 21 8.309 8.309 7.982 0.327 25694 1286 1 4 . 1 1 22 22 ASN N N 22 113.201 113.201 113.419 -0.218 25694 1287 1 4 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.723 0.251 25694 1288 1 4 . 1 1 22 22 ASN C C 22 174.999 174.999 174.170 0.829 25694 1289 1 4 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.607 -0.017 25694 1290 1 4 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.137 0.763 25694 1291 1 4 . 1 1 22 22 ASN H H 22 7.796 7.796 7.965 -0.169 25694 1292 1 4 . 1 1 23 23 VAL N N 23 117.829 117.829 113.296 4.533 25694 1293 1 4 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.803 -0.315 25694 1294 1 4 . 1 1 23 23 VAL C C 23 174.393 174.393 175.229 -0.836 25694 1295 1 4 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.615 1.635 25694 1296 1 4 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.894 -1.194 25694 1297 1 4 . 1 1 23 23 VAL H H 23 7.477 7.477 6.922 0.555 25694 1298 1 4 . 1 1 24 24 LYS N N 24 123.962 123.962 122.008 1.954 25694 1299 1 4 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.605 -0.125 25694 1300 1 4 . 1 1 24 24 LYS C C 24 175.090 175.090 176.909 -1.819 25694 1301 1 4 . 1 1 24 24 LYS CA C 24 56.104 56.104 55.929 0.175 25694 1302 1 4 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.447 1.949 25694 1303 1 4 . 1 1 24 24 LYS H H 24 9.276 9.276 8.492 0.784 25694 1304 1 4 . 1 1 25 25 HIS N N 25 115.921 115.921 117.731 -1.810 25694 1305 1 4 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.709 -0.006 25694 1306 1 4 . 1 1 25 25 HIS C C 25 173.364 173.364 172.501 0.863 25694 1307 1 4 . 1 1 25 25 HIS CA C 25 55.781 55.781 56.035 -0.255 25694 1308 1 4 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.117 0.043 25694 1309 1 4 . 1 1 25 25 HIS H H 25 7.964 7.964 7.637 0.327 25694 1310 1 4 . 1 1 26 26 LEU N N 26 122.215 122.215 125.056 -2.841 25694 1311 1 4 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.096 -0.128 25694 1312 1 4 . 1 1 26 26 LEU C C 26 175.720 175.720 175.508 0.212 25694 1313 1 4 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.268 2.189 25694 1314 1 4 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.760 -0.166 25694 1315 1 4 . 1 1 26 26 LEU H H 26 8.076 8.076 8.303 -0.227 25694 1316 1 4 . 1 1 27 27 LYS N N 27 122.738 122.738 119.224 3.514 25694 1317 1 4 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.595 0.174 25694 1318 1 4 . 1 1 27 27 LYS C C 27 173.953 173.953 175.037 -1.084 25694 1319 1 4 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.623 0.507 25694 1320 1 4 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.455 0.845 25694 1321 1 4 . 1 1 27 27 LYS H H 27 9.113 9.113 8.696 0.417 25694 1322 1 4 . 1 1 28 28 ILE N N 28 122.212 122.212 122.682 -0.470 25694 1323 1 4 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.333 0.443 25694 1324 1 4 . 1 1 28 28 ILE C C 28 175.895 175.895 176.069 -0.174 25694 1325 1 4 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.933 0.267 25694 1326 1 4 . 1 1 28 28 ILE CB C 28 39.200 39.200 36.999 2.201 25694 1327 1 4 . 1 1 28 28 ILE H H 28 8.535 8.535 8.647 -0.112 25694 1328 1 4 . 1 1 29 29 LEU N N 29 128.977 128.977 131.668 -2.691 25694 1329 1 4 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.499 0.216 25694 1330 1 4 . 1 1 29 29 LEU C C 29 175.438 175.438 175.823 -0.385 25694 1331 1 4 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.489 0.611 25694 1332 1 4 . 1 1 29 29 LEU CB C 29 44.132 44.132 39.028 5.104 25694 1333 1 4 . 1 1 29 29 LEU H H 29 9.137 9.137 8.329 0.808 25694 1334 1 4 . 1 1 30 30 ASN N N 30 124.331 124.331 119.391 4.940 25694 1335 1 4 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.749 0.396 25694 1336 1 4 . 1 1 30 30 ASN C C 30 174.335 174.335 175.057 -0.722 25694 1337 1 4 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.088 1.325 25694 1338 1 4 . 1 1 30 30 ASN CB C 30 39.600 39.600 37.073 2.527 25694 1339 1 4 . 1 1 30 30 ASN H H 30 8.824 8.824 7.842 0.982 25694 1340 1 4 . 1 1 31 31 THR N N 31 118.685 118.685 113.115 5.570 25694 1341 1 4 . 1 1 31 31 THR HA H 31 4.796 4.796 4.419 0.377 25694 1342 1 4 . 1 1 31 31 THR CA C 31 59.600 59.600 60.804 -1.204 25694 1343 1 4 . 1 1 31 31 THR CB C 31 70.459 70.459 68.688 1.771 25694 1344 1 4 . 1 1 31 31 THR H H 31 8.456 8.456 7.472 0.984 25694 1345 1 4 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.380 -0.090 25694 1346 1 4 . 1 1 32 32 PRO C C 32 177.197 177.197 177.275 -0.078 25694 1347 1 4 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.665 0.176 25694 1348 1 4 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.788 0.382 25694 1349 1 4 . 1 1 33 33 ASN N N 33 112.484 112.484 114.087 -1.603 25694 1350 1 4 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.775 -0.293 25694 1351 1 4 . 1 1 33 33 ASN C C 33 174.526 174.526 174.455 0.071 25694 1352 1 4 . 1 1 33 33 ASN CA C 33 54.945 54.945 53.757 1.188 25694 1353 1 4 . 1 1 33 33 ASN CB C 33 38.632 38.632 39.157 -0.525 25694 1354 1 4 . 1 1 33 33 ASN H H 33 8.470 8.470 8.550 -0.080 25694 1355 1 4 . 1 1 34 34 CYS N N 34 116.720 116.720 115.736 0.984 25694 1356 1 4 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.707 0.220 25694 1357 1 4 . 1 1 34 34 CYS C C 34 173.762 173.762 173.177 0.585 25694 1358 1 4 . 1 1 34 34 CYS CA C 34 54.810 54.810 57.946 -3.136 25694 1359 1 4 . 1 1 34 34 CYS CB C 34 44.100 44.100 30.893 13.207 25694 1360 1 4 . 1 1 34 34 CYS H H 34 7.663 7.663 7.298 0.365 25694 1361 1 4 . 1 1 35 35 ALA N N 35 125.254 125.254 122.126 3.128 25694 1362 1 4 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.594 -0.297 25694 1363 1 4 . 1 1 35 35 ALA C C 35 176.882 176.882 175.688 1.194 25694 1364 1 4 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.255 1.157 25694 1365 1 4 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.326 -1.358 25694 1366 1 4 . 1 1 35 35 ALA H H 35 8.449 8.449 8.270 0.179 25694 1367 1 4 . 1 1 36 36 LEU N N 36 122.078 122.078 119.305 2.773 25694 1368 1 4 . 1 1 36 36 LEU HA H 36 4.401 4.401 5.229 -0.828 25694 1369 1 4 . 1 1 36 36 LEU C C 36 176.442 176.442 176.234 0.208 25694 1370 1 4 . 1 1 36 36 LEU CA C 36 56.751 56.751 53.863 2.888 25694 1371 1 4 . 1 1 36 36 LEU CB C 36 42.465 42.465 43.074 -0.609 25694 1372 1 4 . 1 1 36 36 LEU H H 36 8.073 8.073 8.137 -0.064 25694 1373 1 4 . 1 1 37 37 GLN N N 37 121.790 121.790 125.494 -3.704 25694 1374 1 4 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.768 -0.020 25694 1375 1 4 . 1 1 37 37 GLN C C 37 173.804 173.804 174.591 -0.787 25694 1376 1 4 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.620 -0.220 25694 1377 1 4 . 1 1 37 37 GLN CB C 37 32.463 32.463 31.876 0.587 25694 1378 1 4 . 1 1 37 37 GLN H H 37 8.397 8.397 8.785 -0.388 25694 1379 1 4 . 1 1 38 38 ILE N N 38 123.702 123.702 123.685 0.017 25694 1380 1 4 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.477 0.268 25694 1381 1 4 . 1 1 38 38 ILE C C 38 174.808 174.808 175.277 -0.469 25694 1382 1 4 . 1 1 38 38 ILE CA C 38 60.950 60.950 59.106 1.844 25694 1383 1 4 . 1 1 38 38 ILE CB C 38 39.600 39.600 37.613 1.987 25694 1384 1 4 . 1 1 38 38 ILE H H 38 9.213 9.213 9.021 0.192 25694 1385 1 4 . 1 1 39 39 VAL N N 39 125.930 125.930 129.789 -3.859 25694 1386 1 4 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.455 0.561 25694 1387 1 4 . 1 1 39 39 VAL C C 39 174.741 174.741 173.899 0.842 25694 1388 1 4 . 1 1 39 39 VAL CA C 39 60.950 60.950 61.339 -0.389 25694 1389 1 4 . 1 1 39 39 VAL CB C 39 34.426 34.426 33.407 1.019 25694 1390 1 4 . 1 1 39 39 VAL H H 39 9.056 9.056 7.976 1.080 25694 1391 1 4 . 1 1 40 40 ALA N N 40 127.551 127.551 130.516 -2.965 25694 1392 1 4 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.267 0.065 25694 1393 1 4 . 1 1 40 40 ALA C C 40 175.948 175.948 175.552 0.396 25694 1394 1 4 . 1 1 40 40 ALA CA C 40 50.280 50.280 49.715 0.565 25694 1395 1 4 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.205 0.858 25694 1396 1 4 . 1 1 40 40 ALA H H 40 9.335 9.335 9.348 -0.013 25694 1397 1 4 . 1 1 41 41 ARG N N 41 118.658 118.658 120.346 -1.688 25694 1398 1 4 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.164 0.055 25694 1399 1 4 . 1 1 41 41 ARG C C 41 176.310 176.310 175.708 0.602 25694 1400 1 4 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.175 0.925 25694 1401 1 4 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.987 0.441 25694 1402 1 4 . 1 1 41 41 ARG H H 41 8.511 8.511 9.008 -0.497 25694 1403 1 4 . 1 1 42 42 LEU N N 42 125.307 125.307 124.663 0.644 25694 1404 1 4 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.680 0.246 25694 1405 1 4 . 1 1 42 42 LEU C C 42 178.475 178.475 178.440 0.035 25694 1406 1 4 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.436 -1.107 25694 1407 1 4 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.218 -0.721 25694 1408 1 4 . 1 1 42 42 LEU H H 42 9.038 9.038 8.950 0.088 25694 1409 1 4 . 1 1 43 43 LYS N N 43 120.597 120.597 123.151 -2.554 25694 1410 1 4 . 1 1 43 43 LYS HA H 43 3.833 3.833 4.015 -0.182 25694 1411 1 4 . 1 1 43 43 LYS C C 43 178.342 178.342 178.633 -0.291 25694 1412 1 4 . 1 1 43 43 LYS CA C 43 59.340 59.340 59.814 -0.474 25694 1413 1 4 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.477 0.968 25694 1414 1 4 . 1 1 43 43 LYS H H 43 8.480 8.480 8.632 -0.152 25694 1415 1 4 . 1 1 44 44 ASN N N 44 114.812 114.812 117.323 -2.511 25694 1416 1 4 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.534 -0.058 25694 1417 1 4 . 1 1 44 44 ASN C C 44 176.032 176.032 176.713 -0.681 25694 1418 1 4 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.174 0.606 25694 1419 1 4 . 1 1 44 44 ASN CB C 44 37.507 37.507 38.373 -0.867 25694 1420 1 4 . 1 1 44 44 ASN H H 44 8.725 8.725 8.386 0.339 25694 1421 1 4 . 1 1 45 45 ASN N N 45 115.093 115.093 118.041 -2.948 25694 1422 1 4 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.576 0.162 25694 1423 1 4 . 1 1 45 45 ASN C C 45 175.513 175.513 175.466 0.047 25694 1424 1 4 . 1 1 45 45 ASN CA C 45 52.769 52.769 53.022 -0.252 25694 1425 1 4 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.464 0.747 25694 1426 1 4 . 1 1 45 45 ASN H H 45 7.519 7.519 8.186 -0.667 25694 1427 1 4 . 1 1 46 46 ASN N N 46 116.121 116.121 114.807 1.314 25694 1428 1 4 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.569 0.100 25694 1429 1 4 . 1 1 46 46 ASN C C 46 174.816 174.816 174.068 0.748 25694 1430 1 4 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.603 0.196 25694 1431 1 4 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.608 1.671 25694 1432 1 4 . 1 1 46 46 ASN H H 46 8.033 8.033 8.408 -0.375 25694 1433 1 4 . 1 1 47 47 ARG N N 47 119.917 119.917 119.005 0.912 25694 1434 1 4 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.205 0.048 25694 1435 1 4 . 1 1 47 47 ARG C C 47 175.845 175.845 175.980 -0.135 25694 1436 1 4 . 1 1 47 47 ARG CA C 47 57.084 57.084 56.762 0.322 25694 1437 1 4 . 1 1 47 47 ARG CB C 47 31.785 31.785 30.675 1.110 25694 1438 1 4 . 1 1 47 47 ARG H H 47 7.981 7.981 7.814 0.167 25694 1439 1 4 . 1 1 48 48 GLN N N 48 123.497 123.497 123.590 -0.093 25694 1440 1 4 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.238 0.004 25694 1441 1 4 . 1 1 48 48 GLN C C 48 175.629 175.629 175.024 0.605 25694 1442 1 4 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.541 0.239 25694 1443 1 4 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.016 1.174 25694 1444 1 4 . 1 1 48 48 GLN H H 48 8.737 8.737 8.523 0.214 25694 1445 1 4 . 1 1 49 49 VAL N N 49 119.819 119.819 125.433 -5.614 25694 1446 1 4 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.704 0.069 25694 1447 1 4 . 1 1 49 49 VAL C C 49 174.235 174.235 173.601 0.634 25694 1448 1 4 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.528 -1.262 25694 1449 1 4 . 1 1 49 49 VAL CB C 49 36.000 36.000 35.969 0.031 25694 1450 1 4 . 1 1 49 49 VAL H H 49 9.150 9.150 9.012 0.138 25694 1451 1 4 . 1 1 50 50 CYS N N 50 120.721 120.721 124.520 -3.799 25694 1452 1 4 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.500 0.153 25694 1453 1 4 . 1 1 50 50 CYS C C 50 174.078 174.078 175.271 -1.193 25694 1454 1 4 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.864 -1.436 25694 1455 1 4 . 1 1 50 50 CYS CB C 50 45.270 45.270 27.052 18.218 25694 1456 1 4 . 1 1 50 50 CYS H H 50 8.854 8.854 8.677 0.177 25694 1457 1 4 . 1 1 51 51 ILE N N 51 124.038 124.038 123.542 0.496 25694 1458 1 4 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.348 0.162 25694 1459 1 4 . 1 1 51 51 ILE C C 51 174.775 174.775 174.719 0.056 25694 1460 1 4 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.597 -1.297 25694 1461 1 4 . 1 1 51 51 ILE CB C 51 39.603 39.603 39.842 -0.238 25694 1462 1 4 . 1 1 51 51 ILE H H 51 8.934 8.934 8.548 0.386 25694 1463 1 4 . 1 1 52 52 ASP N N 52 127.393 127.393 124.769 2.624 25694 1464 1 4 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.240 -0.495 25694 1465 1 4 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.719 0.171 25694 1466 1 4 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.587 0.576 25694 1467 1 4 . 1 1 52 52 ASP H H 52 8.098 8.098 7.971 0.127 25694 1468 1 4 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.143 -0.058 25694 1469 1 4 . 1 1 53 53 PRO C C 53 176.500 176.500 176.445 0.055 25694 1470 1 4 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.841 0.669 25694 1471 1 4 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.669 0.603 25694 1472 1 4 . 1 1 54 54 LYS N N 54 116.899 116.899 116.368 0.531 25694 1473 1 4 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.306 -0.101 25694 1474 1 4 . 1 1 54 54 LYS C C 54 176.791 176.791 177.116 -0.325 25694 1475 1 4 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.903 -0.203 25694 1476 1 4 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.256 -1.456 25694 1477 1 4 . 1 1 54 54 LYS H H 54 8.129 8.129 8.080 0.049 25694 1478 1 4 . 1 1 55 55 CYS N N 55 119.988 119.988 118.365 1.623 25694 1479 1 4 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.540 -0.143 25694 1480 1 4 . 1 1 55 55 CYS CA C 55 57.075 57.075 56.327 0.748 25694 1481 1 4 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.851 12.693 25694 1482 1 4 . 1 1 55 55 CYS H H 55 7.989 7.989 7.486 0.503 25694 1483 1 4 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.175 -0.048 25694 1484 1 4 . 1 1 56 56 LYS C C 56 178.326 178.326 178.384 -0.058 25694 1485 1 4 . 1 1 56 56 LYS CA C 56 60.600 60.600 59.039 1.561 25694 1486 1 4 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.926 -0.126 25694 1487 1 4 . 1 1 57 57 TRP N N 57 114.860 114.860 117.945 -3.085 25694 1488 1 4 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.737 0.168 25694 1489 1 4 . 1 1 57 57 TRP C C 57 177.803 177.803 178.065 -0.262 25694 1490 1 4 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.560 -1.320 25694 1491 1 4 . 1 1 57 57 TRP CB C 57 28.925 28.925 28.516 0.409 25694 1492 1 4 . 1 1 57 57 TRP H H 57 7.274 7.274 7.810 -0.536 25694 1493 1 4 . 1 1 58 58 CYS N N 58 121.960 121.960 118.475 3.485 25694 1494 1 4 . 1 1 58 58 CYS HA H 58 3.917 3.917 3.786 0.131 25694 1495 1 4 . 1 1 58 58 CYS C C 58 175.480 175.480 177.093 -1.613 25694 1496 1 4 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.816 4.019 25694 1497 1 4 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.396 10.971 25694 1498 1 4 . 1 1 58 58 CYS H H 58 7.780 7.780 7.317 0.463 25694 1499 1 4 . 1 1 59 59 GLN N N 59 119.203 119.203 118.916 0.287 25694 1500 1 4 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.952 -0.005 25694 1501 1 4 . 1 1 59 59 GLN C C 59 178.152 178.152 178.467 -0.315 25694 1502 1 4 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.502 1.161 25694 1503 1 4 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.700 0.272 25694 1504 1 4 . 1 1 59 59 GLN H H 59 8.073 8.073 8.125 -0.052 25694 1505 1 4 . 1 1 60 60 GLU N N 60 118.831 118.831 118.368 0.463 25694 1506 1 4 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.213 -0.092 25694 1507 1 4 . 1 1 60 60 GLU C C 60 178.367 178.367 178.736 -0.369 25694 1508 1 4 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.725 0.615 25694 1509 1 4 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.513 0.383 25694 1510 1 4 . 1 1 60 60 GLU H H 60 8.085 8.085 8.004 0.081 25694 1511 1 4 . 1 1 61 61 TYR N N 61 118.802 118.802 119.709 -0.907 25694 1512 1 4 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.465 -0.135 25694 1513 1 4 . 1 1 61 61 TYR C C 61 177.629 177.629 177.081 0.548 25694 1514 1 4 . 1 1 61 61 TYR CA C 61 61.281 61.281 60.228 1.053 25694 1515 1 4 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.104 0.852 25694 1516 1 4 . 1 1 61 61 TYR H H 61 7.666 7.666 7.449 0.217 25694 1517 1 4 . 1 1 62 62 LEU N N 62 119.351 119.351 120.466 -1.115 25694 1518 1 4 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.204 0.663 25694 1519 1 4 . 1 1 62 62 LEU C C 62 178.724 178.724 179.197 -0.473 25694 1520 1 4 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.692 -0.073 25694 1521 1 4 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.224 0.966 25694 1522 1 4 . 1 1 62 62 LEU H H 62 8.275 8.275 7.755 0.520 25694 1523 1 4 . 1 1 63 63 GLU N N 63 118.049 118.049 117.397 0.652 25694 1524 1 4 . 1 1 63 63 GLU HA H 63 3.997 3.997 3.993 0.004 25694 1525 1 4 . 1 1 63 63 GLU C C 63 178.649 178.649 178.963 -0.314 25694 1526 1 4 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.833 0.310 25694 1527 1 4 . 1 1 63 63 GLU CB C 63 29.896 29.896 28.995 0.901 25694 1528 1 4 . 1 1 63 63 GLU H H 63 8.066 8.066 7.656 0.410 25694 1529 1 4 . 1 1 64 64 LYS N N 64 117.297 117.297 118.727 -1.430 25694 1530 1 4 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.188 0.040 25694 1531 1 4 . 1 1 64 64 LYS C C 64 178.085 178.085 178.992 -0.907 25694 1532 1 4 . 1 1 64 64 LYS CA C 64 57.820 57.820 58.181 -0.361 25694 1533 1 4 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.154 0.654 25694 1534 1 4 . 1 1 64 64 LYS H H 64 7.572 7.572 7.569 0.003 25694 1535 1 4 . 1 1 65 65 ALA N N 65 121.570 121.570 122.780 -1.210 25694 1536 1 4 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.567 -0.393 25694 1537 1 4 . 1 1 65 65 ALA C C 65 178.707 178.707 179.493 -0.786 25694 1538 1 4 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.075 -0.275 25694 1539 1 4 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.241 1.293 25694 1540 1 4 . 1 1 65 65 ALA H H 65 7.964 7.964 7.923 0.041 25694 1541 1 4 . 1 1 66 66 LEU N N 66 117.399 117.399 117.143 0.256 25694 1542 1 4 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.973 0.352 25694 1543 1 4 . 1 1 66 66 LEU C C 66 177.264 177.264 177.550 -0.286 25694 1544 1 4 . 1 1 66 66 LEU CA C 66 55.457 55.457 57.258 -1.801 25694 1545 1 4 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.700 0.799 25694 1546 1 4 . 1 1 66 66 LEU H H 66 7.888 7.888 7.522 0.366 25694 1547 1 4 . 1 1 67 67 ASN N N 67 118.846 118.846 116.272 2.574 25694 1548 1 4 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.851 -0.081 25694 1549 1 4 . 1 1 67 67 ASN C C 67 174.094 174.094 174.522 -0.428 25694 1550 1 4 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.465 0.969 25694 1551 1 4 . 1 1 67 67 ASN CB C 67 39.279 39.279 37.840 1.439 25694 1552 1 4 . 1 1 67 67 ASN H H 67 7.959 7.959 7.710 0.249 25694 1553 1 5 . 1 1 0 0 MET HA H 0 4.501 4.501 4.598 -0.097 25694 1554 1 5 . 1 1 0 0 MET C C 0 176.102 176.102 175.812 0.290 25694 1555 1 5 . 1 1 0 0 MET CA C 0 55.781 55.781 55.551 0.230 25694 1556 1 5 . 1 1 0 0 MET CB C 0 33.455 33.455 33.723 -0.268 25694 1557 1 5 . 1 1 1 1 LYS N N 1 124.708 124.708 125.399 -0.691 25694 1558 1 5 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.802 -0.164 25694 1559 1 5 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.400 0.086 25694 1560 1 5 . 1 1 1 1 LYS CB C 1 32.808 32.808 33.078 -0.270 25694 1561 1 5 . 1 1 1 1 LYS H H 1 8.503 8.503 8.495 0.008 25694 1562 1 5 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.622 -0.138 25694 1563 1 5 . 1 1 2 2 PRO C C 2 177.031 177.031 176.520 0.511 25694 1564 1 5 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.669 0.531 25694 1565 1 5 . 1 1 2 2 PRO CB C 2 32.161 32.161 32.499 -0.338 25694 1566 1 5 . 1 1 3 3 VAL N N 3 120.641 120.641 116.262 4.379 25694 1567 1 5 . 1 1 3 3 VAL HA H 3 4.119 4.119 3.840 0.279 25694 1568 1 5 . 1 1 3 3 VAL C C 3 176.393 176.393 174.862 1.531 25694 1569 1 5 . 1 1 3 3 VAL CA C 3 62.495 62.495 63.630 -1.135 25694 1570 1 5 . 1 1 3 3 VAL CB C 3 33.100 33.100 30.541 2.559 25694 1571 1 5 . 1 1 3 3 VAL H H 3 8.290 8.290 8.619 -0.329 25694 1572 1 5 . 1 1 4 4 SER N N 4 119.097 119.097 115.475 3.622 25694 1573 1 5 . 1 1 4 4 SER HA H 4 4.470 4.470 4.588 -0.118 25694 1574 1 5 . 1 1 4 4 SER C C 4 174.617 174.617 174.324 0.293 25694 1575 1 5 . 1 1 4 4 SER CA C 4 58.369 58.369 57.709 0.660 25694 1576 1 5 . 1 1 4 4 SER CB C 4 64.187 64.187 66.128 -1.941 25694 1577 1 5 . 1 1 4 4 SER H H 4 8.349 8.349 7.676 0.673 25694 1578 1 5 . 1 1 5 5 LEU N N 5 124.723 124.723 121.821 2.902 25694 1579 1 5 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.017 0.363 25694 1580 1 5 . 1 1 5 5 LEU C C 5 177.355 177.355 175.940 1.415 25694 1581 1 5 . 1 1 5 5 LEU CA C 5 55.388 55.388 55.423 -0.035 25694 1582 1 5 . 1 1 5 5 LEU CB C 5 42.515 42.515 41.486 1.029 25694 1583 1 5 . 1 1 5 5 LEU H H 5 8.339 8.339 8.603 -0.264 25694 1584 1 5 . 1 1 6 6 SER N N 6 115.926 115.926 114.740 1.186 25694 1585 1 5 . 1 1 6 6 SER HA H 6 4.414 4.414 4.398 0.016 25694 1586 1 5 . 1 1 6 6 SER C C 6 174.235 174.235 175.120 -0.885 25694 1587 1 5 . 1 1 6 6 SER CA C 6 58.369 58.369 59.879 -1.510 25694 1588 1 5 . 1 1 6 6 SER CB C 6 64.187 64.187 63.516 0.671 25694 1589 1 5 . 1 1 6 6 SER H H 6 8.199 8.199 8.188 0.011 25694 1590 1 5 . 1 1 7 7 TYR N N 7 122.124 122.124 120.637 1.487 25694 1591 1 5 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.830 -0.254 25694 1592 1 5 . 1 1 7 7 TYR C C 7 175.530 175.530 175.712 -0.182 25694 1593 1 5 . 1 1 7 7 TYR CA C 7 58.008 58.008 57.005 1.004 25694 1594 1 5 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.200 0.769 25694 1595 1 5 . 1 1 7 7 TYR H H 7 8.049 8.049 7.940 0.109 25694 1596 1 5 . 1 1 8 8 ARG N N 8 121.947 121.947 119.970 1.977 25694 1597 1 5 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.295 0.031 25694 1598 1 5 . 1 1 8 8 ARG C C 8 175.845 175.845 175.180 0.665 25694 1599 1 5 . 1 1 8 8 ARG CA C 8 56.104 56.104 56.528 -0.424 25694 1600 1 5 . 1 1 8 8 ARG CB C 8 31.100 31.100 31.233 -0.133 25694 1601 1 5 . 1 1 8 8 ARG H H 8 8.177 8.177 8.378 -0.201 25694 1602 1 5 . 1 1 9 9 CYS N N 9 120.943 120.943 118.906 2.037 25694 1603 1 5 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.764 0.190 25694 1604 1 5 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.431 -3.304 25694 1605 1 5 . 1 1 9 9 CYS CB C 9 40.218 40.218 27.195 13.023 25694 1606 1 5 . 1 1 9 9 CYS H H 9 8.173 8.173 8.241 -0.068 25694 1607 1 5 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.611 -0.259 25694 1608 1 5 . 1 1 10 10 PRO C C 10 177.347 177.347 176.228 1.119 25694 1609 1 5 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.892 0.967 25694 1610 1 5 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.307 0.201 25694 1611 1 5 . 1 1 11 11 CYS N N 11 114.096 114.096 117.381 -3.285 25694 1612 1 5 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.648 0.077 25694 1613 1 5 . 1 1 11 11 CYS CA C 11 53.429 53.429 58.168 -4.739 25694 1614 1 5 . 1 1 11 11 CYS CB C 11 39.279 39.279 26.136 13.143 25694 1615 1 5 . 1 1 11 11 CYS H H 11 8.232 8.232 8.046 0.186 25694 1616 1 5 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.067 0.002 25694 1617 1 5 . 1 1 12 12 ARG C C 12 175.106 175.106 175.204 -0.098 25694 1618 1 5 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.972 0.028 25694 1619 1 5 . 1 1 12 12 ARG CB C 12 31.500 31.500 31.148 0.351 25694 1620 1 5 . 1 1 13 13 PHE N N 13 116.259 116.259 116.639 -0.380 25694 1621 1 5 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.390 0.240 25694 1622 1 5 . 1 1 13 13 PHE C C 13 174.227 174.227 173.374 0.853 25694 1623 1 5 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.513 -0.542 25694 1624 1 5 . 1 1 13 13 PHE CB C 13 41.059 41.059 41.702 -0.643 25694 1625 1 5 . 1 1 13 13 PHE H H 13 7.572 7.572 7.488 0.084 25694 1626 1 5 . 1 1 14 14 PHE N N 14 119.623 119.623 118.367 1.256 25694 1627 1 5 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.870 0.066 25694 1628 1 5 . 1 1 14 14 PHE C C 14 175.496 175.496 174.857 0.639 25694 1629 1 5 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.418 -0.271 25694 1630 1 5 . 1 1 14 14 PHE CB C 14 41.544 41.544 42.591 -1.047 25694 1631 1 5 . 1 1 14 14 PHE H H 14 8.450 8.450 8.418 0.032 25694 1632 1 5 . 1 1 15 15 GLU N N 15 122.147 122.147 122.462 -0.315 25694 1633 1 5 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.607 0.028 25694 1634 1 5 . 1 1 15 15 GLU C C 15 176.990 176.990 177.475 -0.485 25694 1635 1 5 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.682 1.098 25694 1636 1 5 . 1 1 15 15 GLU CB C 15 31.109 31.109 31.155 -0.046 25694 1637 1 5 . 1 1 15 15 GLU H H 15 8.956 8.956 8.996 -0.040 25694 1638 1 5 . 1 1 16 16 SER N N 16 119.943 119.943 123.148 -3.205 25694 1639 1 5 . 1 1 16 16 SER HA H 16 4.598 4.598 4.172 0.426 25694 1640 1 5 . 1 1 16 16 SER C C 16 174.385 174.385 174.557 -0.172 25694 1641 1 5 . 1 1 16 16 SER CA C 16 59.799 59.799 60.732 -0.933 25694 1642 1 5 . 1 1 16 16 SER CB C 16 64.517 64.517 63.178 1.339 25694 1643 1 5 . 1 1 16 16 SER H H 16 8.943 8.943 8.952 -0.009 25694 1644 1 5 . 1 1 17 17 HIS N N 17 119.124 119.124 118.360 0.764 25694 1645 1 5 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.859 -0.159 25694 1646 1 5 . 1 1 17 17 HIS C C 17 174.567 174.567 173.853 0.714 25694 1647 1 5 . 1 1 17 17 HIS CA C 17 56.751 56.751 54.324 2.427 25694 1648 1 5 . 1 1 17 17 HIS CB C 17 29.896 29.896 29.037 0.859 25694 1649 1 5 . 1 1 17 17 HIS H H 17 8.649 8.649 7.890 0.759 25694 1650 1 5 . 1 1 18 18 VAL N N 18 121.960 121.960 123.951 -1.991 25694 1651 1 5 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.266 -0.110 25694 1652 1 5 . 1 1 18 18 VAL C C 18 175.140 175.140 175.004 0.136 25694 1653 1 5 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.393 0.535 25694 1654 1 5 . 1 1 18 18 VAL CB C 18 33.700 33.700 33.325 0.375 25694 1655 1 5 . 1 1 18 18 VAL H H 18 7.876 7.876 8.379 -0.503 25694 1656 1 5 . 1 1 19 19 ALA N N 19 132.226 132.226 128.852 3.374 25694 1657 1 5 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.728 -0.213 25694 1658 1 5 . 1 1 19 19 ALA C C 19 178.060 178.060 177.559 0.501 25694 1659 1 5 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.450 1.050 25694 1660 1 5 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.266 -1.382 25694 1661 1 5 . 1 1 19 19 ALA H H 19 8.843 8.843 8.518 0.325 25694 1662 1 5 . 1 1 20 20 ARG N N 20 125.791 125.791 124.020 1.771 25694 1663 1 5 . 1 1 20 20 ARG HA H 20 2.837 2.837 2.615 0.222 25694 1664 1 5 . 1 1 20 20 ARG C C 20 178.459 178.459 176.940 1.519 25694 1665 1 5 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.072 0.567 25694 1666 1 5 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.216 -0.291 25694 1667 1 5 . 1 1 20 20 ARG H H 20 8.196 8.196 8.240 -0.044 25694 1668 1 5 . 1 1 21 21 ALA N N 21 117.396 117.396 119.053 -1.657 25694 1669 1 5 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.143 -0.061 25694 1670 1 5 . 1 1 21 21 ALA C C 21 177.745 177.745 176.677 1.068 25694 1671 1 5 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.426 0.383 25694 1672 1 5 . 1 1 21 21 ALA CB C 21 18.884 18.884 19.120 -0.236 25694 1673 1 5 . 1 1 21 21 ALA H H 21 8.309 8.309 8.041 0.268 25694 1674 1 5 . 1 1 22 22 ASN N N 22 113.201 113.201 113.409 -0.208 25694 1675 1 5 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.760 0.214 25694 1676 1 5 . 1 1 22 22 ASN C C 22 174.999 174.999 173.977 1.022 25694 1677 1 5 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.438 0.152 25694 1678 1 5 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.072 0.828 25694 1679 1 5 . 1 1 22 22 ASN H H 22 7.796 7.796 7.840 -0.044 25694 1680 1 5 . 1 1 23 23 VAL N N 23 117.829 117.829 113.719 4.110 25694 1681 1 5 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.853 -0.365 25694 1682 1 5 . 1 1 23 23 VAL C C 23 174.393 174.393 175.552 -1.159 25694 1683 1 5 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.204 2.046 25694 1684 1 5 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.713 -1.013 25694 1685 1 5 . 1 1 23 23 VAL H H 23 7.477 7.477 7.036 0.441 25694 1686 1 5 . 1 1 24 24 LYS N N 24 123.962 123.962 123.142 0.820 25694 1687 1 5 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.433 0.047 25694 1688 1 5 . 1 1 24 24 LYS C C 24 175.090 175.090 176.314 -1.224 25694 1689 1 5 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.331 -0.227 25694 1690 1 5 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.513 1.883 25694 1691 1 5 . 1 1 24 24 LYS H H 24 9.276 9.276 8.301 0.975 25694 1692 1 5 . 1 1 25 25 HIS N N 25 115.921 115.921 118.253 -2.332 25694 1693 1 5 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.823 -0.120 25694 1694 1 5 . 1 1 25 25 HIS C C 25 173.364 173.364 172.664 0.700 25694 1695 1 5 . 1 1 25 25 HIS CA C 25 55.781 55.781 56.588 -0.807 25694 1696 1 5 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.264 -0.103 25694 1697 1 5 . 1 1 25 25 HIS H H 25 7.964 7.964 7.647 0.317 25694 1698 1 5 . 1 1 26 26 LEU N N 26 122.215 122.215 124.398 -2.183 25694 1699 1 5 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.281 -0.313 25694 1700 1 5 . 1 1 26 26 LEU C C 26 175.720 175.720 175.579 0.141 25694 1701 1 5 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.396 2.061 25694 1702 1 5 . 1 1 26 26 LEU CB C 26 45.594 45.594 46.238 -0.644 25694 1703 1 5 . 1 1 26 26 LEU H H 26 8.076 8.076 8.410 -0.334 25694 1704 1 5 . 1 1 27 27 LYS N N 27 122.738 122.738 119.087 3.651 25694 1705 1 5 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.592 0.177 25694 1706 1 5 . 1 1 27 27 LYS C C 27 173.953 173.953 174.920 -0.967 25694 1707 1 5 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.895 0.235 25694 1708 1 5 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.626 0.674 25694 1709 1 5 . 1 1 27 27 LYS H H 27 9.113 9.113 8.628 0.485 25694 1710 1 5 . 1 1 28 28 ILE N N 28 122.212 122.212 123.055 -0.843 25694 1711 1 5 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.419 0.357 25694 1712 1 5 . 1 1 28 28 ILE C C 28 175.895 175.895 175.755 0.140 25694 1713 1 5 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.830 0.370 25694 1714 1 5 . 1 1 28 28 ILE CB C 28 39.200 39.200 37.116 2.084 25694 1715 1 5 . 1 1 28 28 ILE H H 28 8.535 8.535 8.620 -0.085 25694 1716 1 5 . 1 1 29 29 LEU N N 29 128.977 128.977 131.173 -2.196 25694 1717 1 5 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.579 0.136 25694 1718 1 5 . 1 1 29 29 LEU C C 29 175.438 175.438 175.123 0.315 25694 1719 1 5 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.475 0.625 25694 1720 1 5 . 1 1 29 29 LEU CB C 29 44.132 44.132 40.297 3.835 25694 1721 1 5 . 1 1 29 29 LEU H H 29 9.137 9.137 8.232 0.905 25694 1722 1 5 . 1 1 30 30 ASN N N 30 124.331 124.331 120.371 3.960 25694 1723 1 5 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.931 0.214 25694 1724 1 5 . 1 1 30 30 ASN C C 30 174.335 174.335 175.062 -0.727 25694 1725 1 5 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.674 0.739 25694 1726 1 5 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.800 0.799 25694 1727 1 5 . 1 1 30 30 ASN H H 30 8.824 8.824 8.317 0.507 25694 1728 1 5 . 1 1 31 31 THR N N 31 118.685 118.685 114.992 3.693 25694 1729 1 5 . 1 1 31 31 THR HA H 31 4.796 4.796 4.737 0.059 25694 1730 1 5 . 1 1 31 31 THR CA C 31 59.600 59.600 58.871 0.729 25694 1731 1 5 . 1 1 31 31 THR CB C 31 70.459 70.459 68.994 1.465 25694 1732 1 5 . 1 1 31 31 THR H H 31 8.456 8.456 8.102 0.354 25694 1733 1 5 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.318 -0.028 25694 1734 1 5 . 1 1 32 32 PRO C C 32 177.197 177.197 176.897 0.300 25694 1735 1 5 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.853 -0.012 25694 1736 1 5 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.766 0.404 25694 1737 1 5 . 1 1 33 33 ASN N N 33 112.484 112.484 115.310 -2.826 25694 1738 1 5 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.757 -0.275 25694 1739 1 5 . 1 1 33 33 ASN C C 33 174.526 174.526 174.791 -0.265 25694 1740 1 5 . 1 1 33 33 ASN CA C 33 54.945 54.945 53.535 1.409 25694 1741 1 5 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.550 0.082 25694 1742 1 5 . 1 1 33 33 ASN H H 33 8.470 8.470 8.259 0.211 25694 1743 1 5 . 1 1 34 34 CYS N N 34 116.720 116.720 118.133 -1.413 25694 1744 1 5 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.554 0.373 25694 1745 1 5 . 1 1 34 34 CYS C C 34 173.762 173.762 173.203 0.559 25694 1746 1 5 . 1 1 34 34 CYS CA C 34 54.810 54.810 58.050 -3.240 25694 1747 1 5 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.902 14.198 25694 1748 1 5 . 1 1 34 34 CYS H H 34 7.663 7.663 7.537 0.126 25694 1749 1 5 . 1 1 35 35 ALA N N 35 125.254 125.254 121.040 4.214 25694 1750 1 5 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.647 -0.350 25694 1751 1 5 . 1 1 35 35 ALA C C 35 176.882 176.882 174.937 1.945 25694 1752 1 5 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.360 1.053 25694 1753 1 5 . 1 1 35 35 ALA CB C 35 18.968 18.968 21.446 -2.478 25694 1754 1 5 . 1 1 35 35 ALA H H 35 8.449 8.449 8.660 -0.211 25694 1755 1 5 . 1 1 36 36 LEU N N 36 122.078 122.078 121.605 0.473 25694 1756 1 5 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.821 -0.420 25694 1757 1 5 . 1 1 36 36 LEU C C 36 176.442 176.442 175.957 0.485 25694 1758 1 5 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.757 1.994 25694 1759 1 5 . 1 1 36 36 LEU CB C 36 42.465 42.465 41.704 0.761 25694 1760 1 5 . 1 1 36 36 LEU H H 36 8.073 8.073 8.347 -0.274 25694 1761 1 5 . 1 1 37 37 GLN N N 37 121.790 121.790 125.655 -3.865 25694 1762 1 5 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.822 -0.074 25694 1763 1 5 . 1 1 37 37 GLN C C 37 173.804 173.804 174.632 -0.828 25694 1764 1 5 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.437 -0.037 25694 1765 1 5 . 1 1 37 37 GLN CB C 37 32.463 32.463 33.146 -0.683 25694 1766 1 5 . 1 1 37 37 GLN H H 37 8.397 8.397 9.088 -0.691 25694 1767 1 5 . 1 1 38 38 ILE N N 38 123.702 123.702 123.175 0.527 25694 1768 1 5 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.553 0.192 25694 1769 1 5 . 1 1 38 38 ILE C C 38 174.808 174.808 174.643 0.165 25694 1770 1 5 . 1 1 38 38 ILE CA C 38 60.950 60.950 58.789 2.161 25694 1771 1 5 . 1 1 38 38 ILE CB C 38 39.600 39.600 38.234 1.366 25694 1772 1 5 . 1 1 38 38 ILE H H 38 9.213 9.213 8.321 0.892 25694 1773 1 5 . 1 1 39 39 VAL N N 39 125.930 125.930 129.453 -3.523 25694 1774 1 5 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.578 0.438 25694 1775 1 5 . 1 1 39 39 VAL C C 39 174.741 174.741 174.209 0.532 25694 1776 1 5 . 1 1 39 39 VAL CA C 39 60.950 60.950 61.306 -0.356 25694 1777 1 5 . 1 1 39 39 VAL CB C 39 34.426 34.426 32.772 1.654 25694 1778 1 5 . 1 1 39 39 VAL H H 39 9.056 9.056 8.221 0.835 25694 1779 1 5 . 1 1 40 40 ALA N N 40 127.551 127.551 130.878 -3.327 25694 1780 1 5 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.430 -0.098 25694 1781 1 5 . 1 1 40 40 ALA C C 40 175.948 175.948 175.629 0.319 25694 1782 1 5 . 1 1 40 40 ALA CA C 40 50.280 50.280 49.717 0.563 25694 1783 1 5 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.298 0.765 25694 1784 1 5 . 1 1 40 40 ALA H H 40 9.335 9.335 9.474 -0.139 25694 1785 1 5 . 1 1 41 41 ARG N N 41 118.658 118.658 120.849 -2.191 25694 1786 1 5 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.267 -0.048 25694 1787 1 5 . 1 1 41 41 ARG C C 41 176.310 176.310 175.769 0.541 25694 1788 1 5 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.029 1.071 25694 1789 1 5 . 1 1 41 41 ARG CB C 41 32.428 32.428 32.047 0.381 25694 1790 1 5 . 1 1 41 41 ARG H H 41 8.511 8.511 8.898 -0.387 25694 1791 1 5 . 1 1 42 42 LEU N N 42 125.307 125.307 124.571 0.736 25694 1792 1 5 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.696 0.230 25694 1793 1 5 . 1 1 42 42 LEU C C 42 178.475 178.475 178.478 -0.003 25694 1794 1 5 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.522 -1.193 25694 1795 1 5 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.212 -0.715 25694 1796 1 5 . 1 1 42 42 LEU H H 42 9.038 9.038 8.756 0.282 25694 1797 1 5 . 1 1 43 43 LYS N N 43 120.597 120.597 121.863 -1.266 25694 1798 1 5 . 1 1 43 43 LYS HA H 43 3.833 3.833 4.015 -0.182 25694 1799 1 5 . 1 1 43 43 LYS C C 43 178.342 178.342 178.823 -0.481 25694 1800 1 5 . 1 1 43 43 LYS CA C 43 59.340 59.340 60.306 -0.966 25694 1801 1 5 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.492 0.953 25694 1802 1 5 . 1 1 43 43 LYS H H 43 8.480 8.480 8.635 -0.155 25694 1803 1 5 . 1 1 44 44 ASN N N 44 114.812 114.812 117.132 -2.320 25694 1804 1 5 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.532 -0.056 25694 1805 1 5 . 1 1 44 44 ASN C C 44 176.032 176.032 176.329 -0.297 25694 1806 1 5 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.490 0.290 25694 1807 1 5 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.461 0.046 25694 1808 1 5 . 1 1 44 44 ASN H H 44 8.725 8.725 8.454 0.271 25694 1809 1 5 . 1 1 45 45 ASN N N 45 115.093 115.093 118.135 -3.042 25694 1810 1 5 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.612 0.126 25694 1811 1 5 . 1 1 45 45 ASN C C 45 175.513 175.513 174.908 0.605 25694 1812 1 5 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.874 -0.105 25694 1813 1 5 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.883 0.327 25694 1814 1 5 . 1 1 45 45 ASN H H 45 7.519 7.519 8.200 -0.681 25694 1815 1 5 . 1 1 46 46 ASN N N 46 116.121 116.121 112.609 3.512 25694 1816 1 5 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.601 0.068 25694 1817 1 5 . 1 1 46 46 ASN C C 46 174.816 174.816 173.985 0.831 25694 1818 1 5 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.669 0.131 25694 1819 1 5 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.184 2.095 25694 1820 1 5 . 1 1 46 46 ASN H H 46 8.033 8.033 8.555 -0.522 25694 1821 1 5 . 1 1 47 47 ARG N N 47 119.917 119.917 118.416 1.501 25694 1822 1 5 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.237 0.017 25694 1823 1 5 . 1 1 47 47 ARG C C 47 175.845 175.845 175.497 0.348 25694 1824 1 5 . 1 1 47 47 ARG CA C 47 57.084 57.084 56.532 0.552 25694 1825 1 5 . 1 1 47 47 ARG CB C 47 31.785 31.785 30.783 1.002 25694 1826 1 5 . 1 1 47 47 ARG H H 47 7.981 7.981 7.735 0.246 25694 1827 1 5 . 1 1 48 48 GLN N N 48 123.497 123.497 125.278 -1.781 25694 1828 1 5 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.081 0.161 25694 1829 1 5 . 1 1 48 48 GLN C C 48 175.629 175.629 174.422 1.207 25694 1830 1 5 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.676 0.103 25694 1831 1 5 . 1 1 48 48 GLN CB C 48 31.190 31.190 29.442 1.748 25694 1832 1 5 . 1 1 48 48 GLN H H 48 8.737 8.737 8.403 0.334 25694 1833 1 5 . 1 1 49 49 VAL N N 49 119.819 119.819 125.277 -5.458 25694 1834 1 5 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.559 0.214 25694 1835 1 5 . 1 1 49 49 VAL C C 49 174.235 174.235 172.758 1.477 25694 1836 1 5 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.387 -1.121 25694 1837 1 5 . 1 1 49 49 VAL CB C 49 36.000 36.000 35.905 0.095 25694 1838 1 5 . 1 1 49 49 VAL H H 49 9.150 9.150 9.068 0.082 25694 1839 1 5 . 1 1 50 50 CYS N N 50 120.721 120.721 124.346 -3.625 25694 1840 1 5 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.689 -0.036 25694 1841 1 5 . 1 1 50 50 CYS C C 50 174.078 174.078 174.598 -0.520 25694 1842 1 5 . 1 1 50 50 CYS CA C 50 56.428 56.428 56.655 -0.227 25694 1843 1 5 . 1 1 50 50 CYS CB C 50 45.270 45.270 28.267 17.003 25694 1844 1 5 . 1 1 50 50 CYS H H 50 8.854 8.854 8.558 0.296 25694 1845 1 5 . 1 1 51 51 ILE N N 51 124.038 124.038 126.968 -2.930 25694 1846 1 5 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.401 0.109 25694 1847 1 5 . 1 1 51 51 ILE C C 51 174.775 174.775 174.790 -0.015 25694 1848 1 5 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.796 -1.496 25694 1849 1 5 . 1 1 51 51 ILE CB C 51 39.603 39.603 39.918 -0.315 25694 1850 1 5 . 1 1 51 51 ILE H H 51 8.934 8.934 8.994 -0.060 25694 1851 1 5 . 1 1 52 52 ASP N N 52 127.393 127.393 124.202 3.191 25694 1852 1 5 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.202 -0.457 25694 1853 1 5 . 1 1 52 52 ASP CA C 52 51.890 51.890 52.240 -0.350 25694 1854 1 5 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.332 0.830 25694 1855 1 5 . 1 1 52 52 ASP H H 52 8.098 8.098 7.970 0.128 25694 1856 1 5 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.177 -0.092 25694 1857 1 5 . 1 1 53 53 PRO C C 53 176.500 176.500 176.006 0.494 25694 1858 1 5 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.454 1.056 25694 1859 1 5 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.513 0.759 25694 1860 1 5 . 1 1 54 54 LYS N N 54 116.899 116.899 116.737 0.162 25694 1861 1 5 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.342 -0.137 25694 1862 1 5 . 1 1 54 54 LYS C C 54 176.791 176.791 177.109 -0.318 25694 1863 1 5 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.965 -0.265 25694 1864 1 5 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.950 -2.150 25694 1865 1 5 . 1 1 54 54 LYS H H 54 8.129 8.129 7.601 0.528 25694 1866 1 5 . 1 1 55 55 CYS N N 55 119.988 119.988 119.365 0.623 25694 1867 1 5 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.366 0.031 25694 1868 1 5 . 1 1 55 55 CYS CA C 55 57.075 57.075 57.479 -0.404 25694 1869 1 5 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.274 13.270 25694 1870 1 5 . 1 1 55 55 CYS H H 55 7.989 7.989 7.522 0.467 25694 1871 1 5 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.067 0.060 25694 1872 1 5 . 1 1 56 56 LYS C C 56 178.326 178.326 178.180 0.146 25694 1873 1 5 . 1 1 56 56 LYS CA C 56 60.600 60.600 59.308 1.292 25694 1874 1 5 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.787 0.013 25694 1875 1 5 . 1 1 57 57 TRP N N 57 114.860 114.860 116.051 -1.191 25694 1876 1 5 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.753 0.152 25694 1877 1 5 . 1 1 57 57 TRP C C 57 177.803 177.803 177.586 0.217 25694 1878 1 5 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.494 -1.254 25694 1879 1 5 . 1 1 57 57 TRP CB C 57 28.925 28.925 27.782 1.143 25694 1880 1 5 . 1 1 57 57 TRP H H 57 7.274 7.274 7.927 -0.653 25694 1881 1 5 . 1 1 58 58 CYS N N 58 121.960 121.960 117.359 4.601 25694 1882 1 5 . 1 1 58 58 CYS HA H 58 3.917 3.917 3.601 0.316 25694 1883 1 5 . 1 1 58 58 CYS C C 58 175.480 175.480 177.213 -1.733 25694 1884 1 5 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.219 4.616 25694 1885 1 5 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.519 10.848 25694 1886 1 5 . 1 1 58 58 CYS H H 58 7.780 7.780 7.330 0.450 25694 1887 1 5 . 1 1 59 59 GLN N N 59 119.203 119.203 120.203 -1.000 25694 1888 1 5 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.944 0.003 25694 1889 1 5 . 1 1 59 59 GLN C C 59 178.152 178.152 178.779 -0.627 25694 1890 1 5 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.737 0.926 25694 1891 1 5 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.768 0.204 25694 1892 1 5 . 1 1 59 59 GLN H H 59 8.073 8.073 7.909 0.164 25694 1893 1 5 . 1 1 60 60 GLU N N 60 118.831 118.831 119.309 -0.478 25694 1894 1 5 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.401 -0.280 25694 1895 1 5 . 1 1 60 60 GLU C C 60 178.367 178.367 179.338 -0.971 25694 1896 1 5 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.951 0.389 25694 1897 1 5 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.422 0.474 25694 1898 1 5 . 1 1 60 60 GLU H H 60 8.085 8.085 8.021 0.064 25694 1899 1 5 . 1 1 61 61 TYR N N 61 118.802 118.802 121.205 -2.403 25694 1900 1 5 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.260 0.070 25694 1901 1 5 . 1 1 61 61 TYR C C 61 177.629 177.629 176.935 0.694 25694 1902 1 5 . 1 1 61 61 TYR CA C 61 61.281 61.281 60.934 0.347 25694 1903 1 5 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.472 0.484 25694 1904 1 5 . 1 1 61 61 TYR H H 61 7.666 7.666 7.688 -0.022 25694 1905 1 5 . 1 1 62 62 LEU N N 62 119.351 119.351 119.670 -0.319 25694 1906 1 5 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.645 0.222 25694 1907 1 5 . 1 1 62 62 LEU C C 62 178.724 178.724 179.014 -0.290 25694 1908 1 5 . 1 1 62 62 LEU CA C 62 57.619 57.619 58.202 -0.583 25694 1909 1 5 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.508 0.682 25694 1910 1 5 . 1 1 62 62 LEU H H 62 8.275 8.275 8.650 -0.375 25694 1911 1 5 . 1 1 63 63 GLU N N 63 118.049 118.049 118.145 -0.096 25694 1912 1 5 . 1 1 63 63 GLU HA H 63 3.997 3.997 3.939 0.058 25694 1913 1 5 . 1 1 63 63 GLU C C 63 178.649 178.649 178.529 0.120 25694 1914 1 5 . 1 1 63 63 GLU CA C 63 59.143 59.143 59.334 -0.191 25694 1915 1 5 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.305 0.591 25694 1916 1 5 . 1 1 63 63 GLU H H 63 8.066 8.066 7.858 0.208 25694 1917 1 5 . 1 1 64 64 LYS N N 64 117.297 117.297 117.342 -0.045 25694 1918 1 5 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.242 -0.014 25694 1919 1 5 . 1 1 64 64 LYS C C 64 178.085 178.085 178.888 -0.803 25694 1920 1 5 . 1 1 64 64 LYS CA C 64 57.820 57.820 58.418 -0.598 25694 1921 1 5 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.836 -0.028 25694 1922 1 5 . 1 1 64 64 LYS H H 64 7.572 7.572 7.393 0.179 25694 1923 1 5 . 1 1 65 65 ALA N N 65 121.570 121.570 123.266 -1.696 25694 1924 1 5 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.368 -0.194 25694 1925 1 5 . 1 1 65 65 ALA C C 65 178.707 178.707 179.656 -0.949 25694 1926 1 5 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.200 -0.400 25694 1927 1 5 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.172 1.362 25694 1928 1 5 . 1 1 65 65 ALA H H 65 7.964 7.964 8.305 -0.341 25694 1929 1 5 . 1 1 66 66 LEU N N 66 117.399 117.399 118.361 -0.962 25694 1930 1 5 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.959 0.366 25694 1931 1 5 . 1 1 66 66 LEU C C 66 177.264 177.264 177.877 -0.613 25694 1932 1 5 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.942 -1.485 25694 1933 1 5 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.719 0.781 25694 1934 1 5 . 1 1 66 66 LEU H H 66 7.888 7.888 7.817 0.071 25694 1935 1 5 . 1 1 67 67 ASN N N 67 118.846 118.846 116.255 2.591 25694 1936 1 5 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.763 0.007 25694 1937 1 5 . 1 1 67 67 ASN C C 67 174.094 174.094 174.208 -0.114 25694 1938 1 5 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.939 0.495 25694 1939 1 5 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.512 -0.233 25694 1940 1 5 . 1 1 67 67 ASN H H 67 7.959 7.959 7.554 0.405 25694 1941 1 6 . 1 1 0 0 MET HA H 0 4.501 4.501 4.137 0.364 25694 1942 1 6 . 1 1 0 0 MET C C 0 176.102 176.102 175.457 0.645 25694 1943 1 6 . 1 1 0 0 MET CA C 0 55.781 55.781 56.048 -0.267 25694 1944 1 6 . 1 1 0 0 MET CB C 0 33.455 33.455 32.060 1.395 25694 1945 1 6 . 1 1 1 1 LYS N N 1 124.708 124.708 118.598 6.110 25694 1946 1 6 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.396 0.242 25694 1947 1 6 . 1 1 1 1 LYS CA C 1 54.486 54.486 57.347 -2.861 25694 1948 1 6 . 1 1 1 1 LYS CB C 1 32.808 32.808 31.764 1.044 25694 1949 1 6 . 1 1 1 1 LYS H H 1 8.503 8.503 8.057 0.446 25694 1950 1 6 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.427 0.057 25694 1951 1 6 . 1 1 2 2 PRO C C 2 177.031 177.031 175.824 1.207 25694 1952 1 6 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.875 0.325 25694 1953 1 6 . 1 1 2 2 PRO CB C 2 32.161 32.161 29.824 2.337 25694 1954 1 6 . 1 1 3 3 VAL N N 3 120.641 120.641 121.536 -0.895 25694 1955 1 6 . 1 1 3 3 VAL HA H 3 4.119 4.119 4.425 -0.306 25694 1956 1 6 . 1 1 3 3 VAL C C 3 176.393 176.393 175.073 1.320 25694 1957 1 6 . 1 1 3 3 VAL CA C 3 62.495 62.495 61.456 1.039 25694 1958 1 6 . 1 1 3 3 VAL CB C 3 33.100 33.100 32.194 0.906 25694 1959 1 6 . 1 1 3 3 VAL H H 3 8.290 8.290 7.725 0.565 25694 1960 1 6 . 1 1 4 4 SER N N 4 119.097 119.097 123.077 -3.980 25694 1961 1 6 . 1 1 4 4 SER HA H 4 4.470 4.470 4.849 -0.379 25694 1962 1 6 . 1 1 4 4 SER C C 4 174.617 174.617 173.375 1.242 25694 1963 1 6 . 1 1 4 4 SER CA C 4 58.369 58.369 57.734 0.635 25694 1964 1 6 . 1 1 4 4 SER CB C 4 64.187 64.187 63.946 0.241 25694 1965 1 6 . 1 1 4 4 SER H H 4 8.349 8.349 8.569 -0.220 25694 1966 1 6 . 1 1 5 5 LEU N N 5 124.723 124.723 123.360 1.363 25694 1967 1 6 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.688 -0.308 25694 1968 1 6 . 1 1 5 5 LEU C C 5 177.355 177.355 176.908 0.447 25694 1969 1 6 . 1 1 5 5 LEU CA C 5 55.388 55.388 55.022 0.366 25694 1970 1 6 . 1 1 5 5 LEU CB C 5 42.515 42.515 43.813 -1.298 25694 1971 1 6 . 1 1 5 5 LEU H H 5 8.339 8.339 8.461 -0.122 25694 1972 1 6 . 1 1 6 6 SER N N 6 115.926 115.926 112.376 3.550 25694 1973 1 6 . 1 1 6 6 SER HA H 6 4.414 4.414 4.212 0.202 25694 1974 1 6 . 1 1 6 6 SER C C 6 174.235 174.235 173.597 0.638 25694 1975 1 6 . 1 1 6 6 SER CA C 6 58.369 58.369 59.389 -1.020 25694 1976 1 6 . 1 1 6 6 SER CB C 6 64.187 64.187 62.409 1.778 25694 1977 1 6 . 1 1 6 6 SER H H 6 8.199 8.199 8.441 -0.242 25694 1978 1 6 . 1 1 7 7 TYR N N 7 122.124 122.124 117.461 4.663 25694 1979 1 6 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.503 0.073 25694 1980 1 6 . 1 1 7 7 TYR C C 7 175.530 175.530 175.588 -0.058 25694 1981 1 6 . 1 1 7 7 TYR CA C 7 58.008 58.008 57.604 0.404 25694 1982 1 6 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.810 0.159 25694 1983 1 6 . 1 1 7 7 TYR H H 7 8.049 8.049 7.475 0.574 25694 1984 1 6 . 1 1 8 8 ARG N N 8 121.947 121.947 119.431 2.516 25694 1985 1 6 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.162 0.165 25694 1986 1 6 . 1 1 8 8 ARG C C 8 175.845 175.845 175.272 0.573 25694 1987 1 6 . 1 1 8 8 ARG CA C 8 56.104 56.104 57.070 -0.966 25694 1988 1 6 . 1 1 8 8 ARG CB C 8 31.100 31.100 30.331 0.770 25694 1989 1 6 . 1 1 8 8 ARG H H 8 8.177 8.177 8.584 -0.407 25694 1990 1 6 . 1 1 9 9 CYS N N 9 120.943 120.943 117.237 3.706 25694 1991 1 6 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.708 0.246 25694 1992 1 6 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.059 -2.932 25694 1993 1 6 . 1 1 9 9 CYS CB C 9 40.218 40.218 27.653 12.565 25694 1994 1 6 . 1 1 9 9 CYS H H 9 8.173 8.173 8.102 0.071 25694 1995 1 6 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.498 -0.146 25694 1996 1 6 . 1 1 10 10 PRO C C 10 177.347 177.347 176.028 1.319 25694 1997 1 6 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.373 1.486 25694 1998 1 6 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.247 0.261 25694 1999 1 6 . 1 1 11 11 CYS N N 11 114.096 114.096 117.203 -3.107 25694 2000 1 6 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.656 0.069 25694 2001 1 6 . 1 1 11 11 CYS CA C 11 53.429 53.429 57.303 -3.874 25694 2002 1 6 . 1 1 11 11 CYS CB C 11 39.279 39.279 28.032 11.247 25694 2003 1 6 . 1 1 11 11 CYS H H 11 8.232 8.232 7.907 0.325 25694 2004 1 6 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.185 -0.116 25694 2005 1 6 . 1 1 12 12 ARG C C 12 175.106 175.106 175.434 -0.328 25694 2006 1 6 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.660 0.340 25694 2007 1 6 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.921 0.580 25694 2008 1 6 . 1 1 13 13 PHE N N 13 116.259 116.259 118.519 -2.260 25694 2009 1 6 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.500 0.130 25694 2010 1 6 . 1 1 13 13 PHE C C 13 174.227 174.227 174.759 -0.532 25694 2011 1 6 . 1 1 13 13 PHE CA C 13 55.971 55.971 57.291 -1.320 25694 2012 1 6 . 1 1 13 13 PHE CB C 13 41.059 41.059 40.039 1.020 25694 2013 1 6 . 1 1 13 13 PHE H H 13 7.572 7.572 7.896 -0.324 25694 2014 1 6 . 1 1 14 14 PHE N N 14 119.623 119.623 120.365 -0.742 25694 2015 1 6 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.759 0.177 25694 2016 1 6 . 1 1 14 14 PHE C C 14 175.496 175.496 175.311 0.185 25694 2017 1 6 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.654 -0.507 25694 2018 1 6 . 1 1 14 14 PHE CB C 14 41.544 41.544 41.451 0.093 25694 2019 1 6 . 1 1 14 14 PHE H H 14 8.450 8.450 8.503 -0.053 25694 2020 1 6 . 1 1 15 15 GLU N N 15 122.147 122.147 121.965 0.182 25694 2021 1 6 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.681 -0.046 25694 2022 1 6 . 1 1 15 15 GLU C C 15 176.990 176.990 175.449 1.541 25694 2023 1 6 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.329 1.451 25694 2024 1 6 . 1 1 15 15 GLU CB C 15 31.109 31.109 32.667 -1.558 25694 2025 1 6 . 1 1 15 15 GLU H H 15 8.956 8.956 9.203 -0.247 25694 2026 1 6 . 1 1 16 16 SER N N 16 119.943 119.943 117.479 2.464 25694 2027 1 6 . 1 1 16 16 SER HA H 16 4.598 4.598 5.090 -0.492 25694 2028 1 6 . 1 1 16 16 SER C C 16 174.385 174.385 174.683 -0.298 25694 2029 1 6 . 1 1 16 16 SER CA C 16 59.799 59.799 57.502 2.297 25694 2030 1 6 . 1 1 16 16 SER CB C 16 64.517 64.517 65.116 -0.599 25694 2031 1 6 . 1 1 16 16 SER H H 16 8.943 8.943 8.225 0.718 25694 2032 1 6 . 1 1 17 17 HIS N N 17 119.124 119.124 116.604 2.520 25694 2033 1 6 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.237 0.463 25694 2034 1 6 . 1 1 17 17 HIS C C 17 174.567 174.567 174.232 0.335 25694 2035 1 6 . 1 1 17 17 HIS CA C 17 56.751 56.751 56.562 0.189 25694 2036 1 6 . 1 1 17 17 HIS CB C 17 29.896 29.896 27.939 1.957 25694 2037 1 6 . 1 1 17 17 HIS H H 17 8.649 8.649 8.570 0.079 25694 2038 1 6 . 1 1 18 18 VAL N N 18 121.960 121.960 118.871 3.089 25694 2039 1 6 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.217 -0.060 25694 2040 1 6 . 1 1 18 18 VAL C C 18 175.140 175.140 175.815 -0.675 25694 2041 1 6 . 1 1 18 18 VAL CA C 18 61.928 61.928 62.391 -0.463 25694 2042 1 6 . 1 1 18 18 VAL CB C 18 33.700 33.700 32.787 0.913 25694 2043 1 6 . 1 1 18 18 VAL H H 18 7.876 7.876 8.048 -0.172 25694 2044 1 6 . 1 1 19 19 ALA N N 19 132.226 132.226 129.231 2.995 25694 2045 1 6 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.617 -0.102 25694 2046 1 6 . 1 1 19 19 ALA C C 19 178.060 178.060 177.401 0.659 25694 2047 1 6 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.778 0.722 25694 2048 1 6 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.068 -1.184 25694 2049 1 6 . 1 1 19 19 ALA H H 19 8.843 8.843 8.564 0.279 25694 2050 1 6 . 1 1 20 20 ARG N N 20 125.791 125.791 123.865 1.926 25694 2051 1 6 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.087 -0.250 25694 2052 1 6 . 1 1 20 20 ARG C C 20 178.459 178.459 177.221 1.238 25694 2053 1 6 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.194 0.445 25694 2054 1 6 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.411 -0.486 25694 2055 1 6 . 1 1 20 20 ARG H H 20 8.196 8.196 8.343 -0.147 25694 2056 1 6 . 1 1 21 21 ALA N N 21 117.396 117.396 118.364 -0.968 25694 2057 1 6 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.123 -0.041 25694 2058 1 6 . 1 1 21 21 ALA C C 21 177.745 177.745 177.680 0.065 25694 2059 1 6 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.647 0.162 25694 2060 1 6 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.116 0.767 25694 2061 1 6 . 1 1 21 21 ALA H H 21 8.309 8.309 8.219 0.090 25694 2062 1 6 . 1 1 22 22 ASN N N 22 113.201 113.201 115.767 -2.566 25694 2063 1 6 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.742 0.232 25694 2064 1 6 . 1 1 22 22 ASN C C 22 174.999 174.999 174.219 0.780 25694 2065 1 6 . 1 1 22 22 ASN CA C 22 52.590 52.590 53.398 -0.808 25694 2066 1 6 . 1 1 22 22 ASN CB C 22 39.900 39.900 40.358 -0.459 25694 2067 1 6 . 1 1 22 22 ASN H H 22 7.796 7.796 7.613 0.183 25694 2068 1 6 . 1 1 23 23 VAL N N 23 117.829 117.829 113.167 4.662 25694 2069 1 6 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.884 -0.396 25694 2070 1 6 . 1 1 23 23 VAL C C 23 174.393 174.393 174.898 -0.505 25694 2071 1 6 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.509 1.741 25694 2072 1 6 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.480 -0.780 25694 2073 1 6 . 1 1 23 23 VAL H H 23 7.477 7.477 7.185 0.292 25694 2074 1 6 . 1 1 24 24 LYS N N 24 123.962 123.962 121.528 2.434 25694 2075 1 6 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.604 -0.124 25694 2076 1 6 . 1 1 24 24 LYS C C 24 175.090 175.090 176.895 -1.805 25694 2077 1 6 . 1 1 24 24 LYS CA C 24 56.104 56.104 55.875 0.229 25694 2078 1 6 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.370 2.026 25694 2079 1 6 . 1 1 24 24 LYS H H 24 9.276 9.276 8.626 0.650 25694 2080 1 6 . 1 1 25 25 HIS N N 25 115.921 115.921 117.958 -2.037 25694 2081 1 6 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.760 -0.057 25694 2082 1 6 . 1 1 25 25 HIS C C 25 173.364 173.364 172.556 0.808 25694 2083 1 6 . 1 1 25 25 HIS CA C 25 55.781 55.781 56.074 -0.293 25694 2084 1 6 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.178 -0.017 25694 2085 1 6 . 1 1 25 25 HIS H H 25 7.964 7.964 7.665 0.299 25694 2086 1 6 . 1 1 26 26 LEU N N 26 122.215 122.215 125.153 -2.938 25694 2087 1 6 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.302 -0.334 25694 2088 1 6 . 1 1 26 26 LEU C C 26 175.720 175.720 175.536 0.184 25694 2089 1 6 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.404 2.053 25694 2090 1 6 . 1 1 26 26 LEU CB C 26 45.594 45.594 46.210 -0.616 25694 2091 1 6 . 1 1 26 26 LEU H H 26 8.076 8.076 8.338 -0.262 25694 2092 1 6 . 1 1 27 27 LYS N N 27 122.738 122.738 119.302 3.436 25694 2093 1 6 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.625 0.144 25694 2094 1 6 . 1 1 27 27 LYS C C 27 173.953 173.953 174.822 -0.869 25694 2095 1 6 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.782 0.348 25694 2096 1 6 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.781 0.519 25694 2097 1 6 . 1 1 27 27 LYS H H 27 9.113 9.113 8.635 0.478 25694 2098 1 6 . 1 1 28 28 ILE N N 28 122.212 122.212 124.034 -1.822 25694 2099 1 6 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.615 0.161 25694 2100 1 6 . 1 1 28 28 ILE C C 28 175.895 175.895 175.689 0.206 25694 2101 1 6 . 1 1 28 28 ILE CA C 28 60.200 60.200 60.842 -0.641 25694 2102 1 6 . 1 1 28 28 ILE CB C 28 39.200 39.200 38.481 0.719 25694 2103 1 6 . 1 1 28 28 ILE H H 28 8.535 8.535 8.603 -0.068 25694 2104 1 6 . 1 1 29 29 LEU N N 29 128.977 128.977 131.035 -2.058 25694 2105 1 6 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.524 0.191 25694 2106 1 6 . 1 1 29 29 LEU C C 29 175.438 175.438 175.516 -0.078 25694 2107 1 6 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.375 0.725 25694 2108 1 6 . 1 1 29 29 LEU CB C 29 44.132 44.132 39.825 4.307 25694 2109 1 6 . 1 1 29 29 LEU H H 29 9.137 9.137 9.050 0.087 25694 2110 1 6 . 1 1 30 30 ASN N N 30 124.331 124.331 121.027 3.304 25694 2111 1 6 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.863 0.282 25694 2112 1 6 . 1 1 30 30 ASN C C 30 174.335 174.335 174.789 -0.454 25694 2113 1 6 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.700 0.713 25694 2114 1 6 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.100 1.500 25694 2115 1 6 . 1 1 30 30 ASN H H 30 8.824 8.824 8.187 0.637 25694 2116 1 6 . 1 1 31 31 THR N N 31 118.685 118.685 113.958 4.727 25694 2117 1 6 . 1 1 31 31 THR HA H 31 4.796 4.796 4.600 0.196 25694 2118 1 6 . 1 1 31 31 THR CA C 31 59.600 59.600 60.175 -0.575 25694 2119 1 6 . 1 1 31 31 THR CB C 31 70.459 70.459 68.999 1.460 25694 2120 1 6 . 1 1 31 31 THR H H 31 8.456 8.456 7.696 0.760 25694 2121 1 6 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.385 -0.095 25694 2122 1 6 . 1 1 32 32 PRO C C 32 177.197 177.197 177.394 -0.197 25694 2123 1 6 . 1 1 32 32 PRO CA C 32 64.841 64.841 65.047 -0.206 25694 2124 1 6 . 1 1 32 32 PRO CB C 32 32.170 32.170 32.132 0.038 25694 2125 1 6 . 1 1 33 33 ASN N N 33 112.484 112.484 113.313 -0.829 25694 2126 1 6 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.636 -0.154 25694 2127 1 6 . 1 1 33 33 ASN C C 33 174.526 174.526 174.623 -0.097 25694 2128 1 6 . 1 1 33 33 ASN CA C 33 54.945 54.945 54.071 0.874 25694 2129 1 6 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.397 0.235 25694 2130 1 6 . 1 1 33 33 ASN H H 33 8.470 8.470 8.461 0.009 25694 2131 1 6 . 1 1 34 34 CYS N N 34 116.720 116.720 115.158 1.562 25694 2132 1 6 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.567 0.360 25694 2133 1 6 . 1 1 34 34 CYS C C 34 173.762 173.762 172.706 1.056 25694 2134 1 6 . 1 1 34 34 CYS CA C 34 54.810 54.810 57.219 -2.409 25694 2135 1 6 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.842 14.258 25694 2136 1 6 . 1 1 34 34 CYS H H 34 7.663 7.663 7.128 0.535 25694 2137 1 6 . 1 1 35 35 ALA N N 35 125.254 125.254 122.221 3.033 25694 2138 1 6 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.476 -0.179 25694 2139 1 6 . 1 1 35 35 ALA C C 35 176.882 176.882 176.547 0.335 25694 2140 1 6 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.511 0.902 25694 2141 1 6 . 1 1 35 35 ALA CB C 35 18.968 18.968 19.792 -0.824 25694 2142 1 6 . 1 1 35 35 ALA H H 35 8.449 8.449 8.333 0.116 25694 2143 1 6 . 1 1 36 36 LEU N N 36 122.078 122.078 120.356 1.722 25694 2144 1 6 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.967 -0.566 25694 2145 1 6 . 1 1 36 36 LEU C C 36 176.442 176.442 176.381 0.061 25694 2146 1 6 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.704 2.047 25694 2147 1 6 . 1 1 36 36 LEU CB C 36 42.465 42.465 42.631 -0.166 25694 2148 1 6 . 1 1 36 36 LEU H H 36 8.073 8.073 8.280 -0.207 25694 2149 1 6 . 1 1 37 37 GLN N N 37 121.790 121.790 125.447 -3.657 25694 2150 1 6 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.836 -0.088 25694 2151 1 6 . 1 1 37 37 GLN C C 37 173.804 173.804 174.375 -0.571 25694 2152 1 6 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.813 -0.413 25694 2153 1 6 . 1 1 37 37 GLN CB C 37 32.463 32.463 32.081 0.382 25694 2154 1 6 . 1 1 37 37 GLN H H 37 8.397 8.397 8.952 -0.555 25694 2155 1 6 . 1 1 38 38 ILE N N 38 123.702 123.702 123.439 0.263 25694 2156 1 6 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.655 0.090 25694 2157 1 6 . 1 1 38 38 ILE C C 38 174.808 174.808 175.122 -0.314 25694 2158 1 6 . 1 1 38 38 ILE CA C 38 60.950 60.950 59.067 1.883 25694 2159 1 6 . 1 1 38 38 ILE CB C 38 39.600 39.600 38.078 1.522 25694 2160 1 6 . 1 1 38 38 ILE H H 38 9.213 9.213 9.083 0.130 25694 2161 1 6 . 1 1 39 39 VAL N N 39 125.930 125.930 128.709 -2.779 25694 2162 1 6 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.669 0.347 25694 2163 1 6 . 1 1 39 39 VAL C C 39 174.741 174.741 174.103 0.638 25694 2164 1 6 . 1 1 39 39 VAL CA C 39 60.950 60.950 60.868 0.082 25694 2165 1 6 . 1 1 39 39 VAL CB C 39 34.426 34.426 33.561 0.865 25694 2166 1 6 . 1 1 39 39 VAL H H 39 9.056 9.056 8.595 0.461 25694 2167 1 6 . 1 1 40 40 ALA N N 40 127.551 127.551 130.288 -2.737 25694 2168 1 6 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.478 -0.146 25694 2169 1 6 . 1 1 40 40 ALA C C 40 175.948 175.948 175.671 0.277 25694 2170 1 6 . 1 1 40 40 ALA CA C 40 50.280 50.280 49.569 0.711 25694 2171 1 6 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.381 0.682 25694 2172 1 6 . 1 1 40 40 ALA H H 40 9.335 9.335 9.439 -0.104 25694 2173 1 6 . 1 1 41 41 ARG N N 41 118.658 118.658 120.383 -1.725 25694 2174 1 6 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.081 0.138 25694 2175 1 6 . 1 1 41 41 ARG C C 41 176.310 176.310 175.539 0.771 25694 2176 1 6 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.490 0.610 25694 2177 1 6 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.989 0.439 25694 2178 1 6 . 1 1 41 41 ARG H H 41 8.511 8.511 9.016 -0.505 25694 2179 1 6 . 1 1 42 42 LEU N N 42 125.307 125.307 124.961 0.346 25694 2180 1 6 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.693 0.233 25694 2181 1 6 . 1 1 42 42 LEU C C 42 178.475 178.475 177.961 0.514 25694 2182 1 6 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.219 -0.890 25694 2183 1 6 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.227 -0.730 25694 2184 1 6 . 1 1 42 42 LEU H H 42 9.038 9.038 8.820 0.218 25694 2185 1 6 . 1 1 43 43 LYS N N 43 120.597 120.597 122.576 -1.979 25694 2186 1 6 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.992 -0.159 25694 2187 1 6 . 1 1 43 43 LYS C C 43 178.342 178.342 178.928 -0.586 25694 2188 1 6 . 1 1 43 43 LYS CA C 43 59.340 59.340 59.904 -0.564 25694 2189 1 6 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.533 0.912 25694 2190 1 6 . 1 1 43 43 LYS H H 43 8.480 8.480 8.595 -0.115 25694 2191 1 6 . 1 1 44 44 ASN N N 44 114.812 114.812 116.483 -1.671 25694 2192 1 6 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.590 -0.114 25694 2193 1 6 . 1 1 44 44 ASN C C 44 176.032 176.032 176.711 -0.679 25694 2194 1 6 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.335 0.445 25694 2195 1 6 . 1 1 44 44 ASN CB C 44 37.507 37.507 38.168 -0.661 25694 2196 1 6 . 1 1 44 44 ASN H H 44 8.725 8.725 8.471 0.254 25694 2197 1 6 . 1 1 45 45 ASN N N 45 115.093 115.093 118.048 -2.955 25694 2198 1 6 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.637 0.101 25694 2199 1 6 . 1 1 45 45 ASN C C 45 175.513 175.513 175.164 0.349 25694 2200 1 6 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.878 -0.109 25694 2201 1 6 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.656 0.555 25694 2202 1 6 . 1 1 45 45 ASN H H 45 7.519 7.519 8.234 -0.715 25694 2203 1 6 . 1 1 46 46 ASN N N 46 116.121 116.121 113.395 2.726 25694 2204 1 6 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.527 0.142 25694 2205 1 6 . 1 1 46 46 ASN C C 46 174.816 174.816 173.521 1.295 25694 2206 1 6 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.650 0.150 25694 2207 1 6 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.707 1.572 25694 2208 1 6 . 1 1 46 46 ASN H H 46 8.033 8.033 8.408 -0.375 25694 2209 1 6 . 1 1 47 47 ARG N N 47 119.917 119.917 116.867 3.050 25694 2210 1 6 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.483 -0.230 25694 2211 1 6 . 1 1 47 47 ARG C C 47 175.845 175.845 174.866 0.979 25694 2212 1 6 . 1 1 47 47 ARG CA C 47 57.084 57.084 54.535 2.549 25694 2213 1 6 . 1 1 47 47 ARG CB C 47 31.785 31.785 31.101 0.684 25694 2214 1 6 . 1 1 47 47 ARG H H 47 7.981 7.981 7.721 0.260 25694 2215 1 6 . 1 1 48 48 GLN N N 48 123.497 123.497 124.007 -0.510 25694 2216 1 6 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.436 -0.194 25694 2217 1 6 . 1 1 48 48 GLN C C 48 175.629 175.629 174.850 0.779 25694 2218 1 6 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.277 0.503 25694 2219 1 6 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.016 1.174 25694 2220 1 6 . 1 1 48 48 GLN H H 48 8.737 8.737 8.516 0.221 25694 2221 1 6 . 1 1 49 49 VAL N N 49 119.819 119.819 124.906 -5.087 25694 2222 1 6 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.508 0.265 25694 2223 1 6 . 1 1 49 49 VAL C C 49 174.235 174.235 173.368 0.867 25694 2224 1 6 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.081 -0.815 25694 2225 1 6 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.415 -0.415 25694 2226 1 6 . 1 1 49 49 VAL H H 49 9.150 9.150 9.032 0.118 25694 2227 1 6 . 1 1 50 50 CYS N N 50 120.721 120.721 122.051 -1.330 25694 2228 1 6 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.627 0.026 25694 2229 1 6 . 1 1 50 50 CYS C C 50 174.078 174.078 175.297 -1.219 25694 2230 1 6 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.974 -1.546 25694 2231 1 6 . 1 1 50 50 CYS CB C 50 45.270 45.270 27.634 17.636 25694 2232 1 6 . 1 1 50 50 CYS H H 50 8.854 8.854 8.821 0.033 25694 2233 1 6 . 1 1 51 51 ILE N N 51 124.038 124.038 122.960 1.078 25694 2234 1 6 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.547 -0.037 25694 2235 1 6 . 1 1 51 51 ILE C C 51 174.775 174.775 175.180 -0.405 25694 2236 1 6 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.293 -0.993 25694 2237 1 6 . 1 1 51 51 ILE CB C 51 39.603 39.603 40.447 -0.844 25694 2238 1 6 . 1 1 51 51 ILE H H 51 8.934 8.934 8.623 0.311 25694 2239 1 6 . 1 1 52 52 ASP N N 52 127.393 127.393 125.289 2.104 25694 2240 1 6 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.358 -0.613 25694 2241 1 6 . 1 1 52 52 ASP CA C 52 51.890 51.890 53.483 -1.593 25694 2242 1 6 . 1 1 52 52 ASP CB C 52 43.162 43.162 41.216 1.946 25694 2243 1 6 . 1 1 52 52 ASP H H 52 8.098 8.098 8.133 -0.035 25694 2244 1 6 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.229 -0.144 25694 2245 1 6 . 1 1 53 53 PRO C C 53 176.500 176.500 176.201 0.299 25694 2246 1 6 . 1 1 53 53 PRO CA C 53 64.510 64.510 62.930 1.580 25694 2247 1 6 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.692 0.580 25694 2248 1 6 . 1 1 54 54 LYS N N 54 116.899 116.899 116.444 0.455 25694 2249 1 6 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.329 -0.124 25694 2250 1 6 . 1 1 54 54 LYS C C 54 176.791 176.791 177.012 -0.221 25694 2251 1 6 . 1 1 54 54 LYS CA C 54 55.700 55.700 56.533 -0.833 25694 2252 1 6 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.561 -1.761 25694 2253 1 6 . 1 1 54 54 LYS H H 54 8.129 8.129 7.637 0.492 25694 2254 1 6 . 1 1 55 55 CYS N N 55 119.988 119.988 118.794 1.194 25694 2255 1 6 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.439 -0.042 25694 2256 1 6 . 1 1 55 55 CYS CA C 55 57.075 57.075 57.456 -0.381 25694 2257 1 6 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.271 13.273 25694 2258 1 6 . 1 1 55 55 CYS H H 55 7.989 7.989 7.519 0.470 25694 2259 1 6 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.174 -0.047 25694 2260 1 6 . 1 1 56 56 LYS C C 56 178.326 178.326 178.300 0.026 25694 2261 1 6 . 1 1 56 56 LYS CA C 56 60.600 60.600 58.916 1.684 25694 2262 1 6 . 1 1 56 56 LYS CB C 56 32.800 32.800 33.050 -0.250 25694 2263 1 6 . 1 1 57 57 TRP N N 57 114.860 114.860 117.115 -2.255 25694 2264 1 6 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.660 0.245 25694 2265 1 6 . 1 1 57 57 TRP C C 57 177.803 177.803 177.752 0.051 25694 2266 1 6 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.891 -1.651 25694 2267 1 6 . 1 1 57 57 TRP CB C 57 28.925 28.925 28.089 0.836 25694 2268 1 6 . 1 1 57 57 TRP H H 57 7.274 7.274 7.832 -0.558 25694 2269 1 6 . 1 1 58 58 CYS N N 58 121.960 121.960 117.418 4.542 25694 2270 1 6 . 1 1 58 58 CYS HA H 58 3.917 3.917 3.689 0.228 25694 2271 1 6 . 1 1 58 58 CYS C C 58 175.480 175.480 177.289 -1.809 25694 2272 1 6 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.323 4.512 25694 2273 1 6 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.474 10.893 25694 2274 1 6 . 1 1 58 58 CYS H H 58 7.780 7.780 7.229 0.551 25694 2275 1 6 . 1 1 59 59 GLN N N 59 119.203 119.203 118.994 0.209 25694 2276 1 6 . 1 1 59 59 GLN HA H 59 3.947 3.947 4.033 -0.086 25694 2277 1 6 . 1 1 59 59 GLN C C 59 178.152 178.152 178.719 -0.567 25694 2278 1 6 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.459 1.204 25694 2279 1 6 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.720 0.252 25694 2280 1 6 . 1 1 59 59 GLN H H 59 8.073 8.073 7.772 0.301 25694 2281 1 6 . 1 1 60 60 GLU N N 60 118.831 118.831 119.902 -1.071 25694 2282 1 6 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.174 -0.053 25694 2283 1 6 . 1 1 60 60 GLU C C 60 178.367 178.367 178.695 -0.328 25694 2284 1 6 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.629 0.711 25694 2285 1 6 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.240 0.656 25694 2286 1 6 . 1 1 60 60 GLU H H 60 8.085 8.085 7.849 0.236 25694 2287 1 6 . 1 1 61 61 TYR N N 61 118.802 118.802 122.093 -3.291 25694 2288 1 6 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.215 0.115 25694 2289 1 6 . 1 1 61 61 TYR C C 61 177.629 177.629 177.684 -0.055 25694 2290 1 6 . 1 1 61 61 TYR CA C 61 61.281 61.281 61.409 -0.128 25694 2291 1 6 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.351 0.605 25694 2292 1 6 . 1 1 61 61 TYR H H 61 7.666 7.666 7.839 -0.173 25694 2293 1 6 . 1 1 62 62 LEU N N 62 119.351 119.351 118.185 1.166 25694 2294 1 6 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.792 0.075 25694 2295 1 6 . 1 1 62 62 LEU C C 62 178.724 178.724 179.231 -0.507 25694 2296 1 6 . 1 1 62 62 LEU CA C 62 57.619 57.619 58.094 -0.475 25694 2297 1 6 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.294 0.896 25694 2298 1 6 . 1 1 62 62 LEU H H 62 8.275 8.275 8.595 -0.320 25694 2299 1 6 . 1 1 63 63 GLU N N 63 118.049 118.049 117.636 0.413 25694 2300 1 6 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.106 -0.109 25694 2301 1 6 . 1 1 63 63 GLU C C 63 178.649 178.649 178.699 -0.050 25694 2302 1 6 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.979 0.164 25694 2303 1 6 . 1 1 63 63 GLU CB C 63 29.896 29.896 28.973 0.923 25694 2304 1 6 . 1 1 63 63 GLU H H 63 8.066 8.066 7.917 0.149 25694 2305 1 6 . 1 1 64 64 LYS N N 64 117.297 117.297 118.075 -0.778 25694 2306 1 6 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.266 -0.038 25694 2307 1 6 . 1 1 64 64 LYS C C 64 178.085 178.085 178.815 -0.730 25694 2308 1 6 . 1 1 64 64 LYS CA C 64 57.820 57.820 57.638 0.182 25694 2309 1 6 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.505 0.303 25694 2310 1 6 . 1 1 64 64 LYS H H 64 7.572 7.572 7.863 -0.291 25694 2311 1 6 . 1 1 65 65 ALA N N 65 121.570 121.570 122.393 -0.823 25694 2312 1 6 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.156 0.018 25694 2313 1 6 . 1 1 65 65 ALA C C 65 178.707 178.707 179.326 -0.619 25694 2314 1 6 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.429 -0.629 25694 2315 1 6 . 1 1 65 65 ALA CB C 65 19.534 19.534 17.984 1.550 25694 2316 1 6 . 1 1 65 65 ALA H H 65 7.964 7.964 8.209 -0.245 25694 2317 1 6 . 1 1 66 66 LEU N N 66 117.399 117.399 118.886 -1.487 25694 2318 1 6 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.964 0.361 25694 2319 1 6 . 1 1 66 66 LEU C C 66 177.264 177.264 178.162 -0.898 25694 2320 1 6 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.925 -1.468 25694 2321 1 6 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.339 1.161 25694 2322 1 6 . 1 1 66 66 LEU H H 66 7.888 7.888 7.718 0.170 25694 2323 1 6 . 1 1 67 67 ASN N N 67 118.846 118.846 116.767 2.079 25694 2324 1 6 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.716 0.054 25694 2325 1 6 . 1 1 67 67 ASN C C 67 174.094 174.094 175.006 -0.912 25694 2326 1 6 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.702 0.732 25694 2327 1 6 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.424 -0.145 25694 2328 1 6 . 1 1 67 67 ASN H H 67 7.959 7.959 7.704 0.255 25694 2329 1 7 . 1 1 0 0 MET HA H 0 4.501 4.501 4.401 0.100 25694 2330 1 7 . 1 1 0 0 MET C C 0 176.102 176.102 176.459 -0.357 25694 2331 1 7 . 1 1 0 0 MET CA C 0 55.781 55.781 56.837 -1.056 25694 2332 1 7 . 1 1 0 0 MET CB C 0 33.455 33.455 32.962 0.493 25694 2333 1 7 . 1 1 1 1 LYS N N 1 124.708 124.708 119.696 5.012 25694 2334 1 7 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.688 -0.050 25694 2335 1 7 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.636 -0.150 25694 2336 1 7 . 1 1 1 1 LYS CB C 1 32.808 32.808 32.900 -0.092 25694 2337 1 7 . 1 1 1 1 LYS H H 1 8.503 8.503 7.739 0.764 25694 2338 1 7 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.500 -0.016 25694 2339 1 7 . 1 1 2 2 PRO C C 2 177.031 177.031 176.113 0.918 25694 2340 1 7 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.685 0.515 25694 2341 1 7 . 1 1 2 2 PRO CB C 2 32.161 32.161 31.489 0.672 25694 2342 1 7 . 1 1 3 3 VAL N N 3 120.641 120.641 126.453 -5.812 25694 2343 1 7 . 1 1 3 3 VAL HA H 3 4.119 4.119 4.103 0.016 25694 2344 1 7 . 1 1 3 3 VAL C C 3 176.393 176.393 175.752 0.641 25694 2345 1 7 . 1 1 3 3 VAL CA C 3 62.495 62.495 62.430 0.065 25694 2346 1 7 . 1 1 3 3 VAL CB C 3 33.100 33.100 31.273 1.827 25694 2347 1 7 . 1 1 3 3 VAL H H 3 8.290 8.290 8.149 0.141 25694 2348 1 7 . 1 1 4 4 SER N N 4 119.097 119.097 122.217 -3.120 25694 2349 1 7 . 1 1 4 4 SER HA H 4 4.470 4.470 4.707 -0.237 25694 2350 1 7 . 1 1 4 4 SER C C 4 174.617 174.617 175.212 -0.595 25694 2351 1 7 . 1 1 4 4 SER CA C 4 58.369 58.369 57.682 0.687 25694 2352 1 7 . 1 1 4 4 SER CB C 4 64.187 64.187 63.298 0.889 25694 2353 1 7 . 1 1 4 4 SER H H 4 8.349 8.349 8.300 0.049 25694 2354 1 7 . 1 1 5 5 LEU N N 5 124.723 124.723 120.848 3.875 25694 2355 1 7 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.504 -0.124 25694 2356 1 7 . 1 1 5 5 LEU C C 5 177.355 177.355 176.890 0.465 25694 2357 1 7 . 1 1 5 5 LEU CA C 5 55.388 55.388 55.833 -0.445 25694 2358 1 7 . 1 1 5 5 LEU CB C 5 42.515 42.515 42.088 0.427 25694 2359 1 7 . 1 1 5 5 LEU H H 5 8.339 8.339 8.140 0.199 25694 2360 1 7 . 1 1 6 6 SER N N 6 115.926 115.926 116.449 -0.523 25694 2361 1 7 . 1 1 6 6 SER HA H 6 4.414 4.414 4.706 -0.292 25694 2362 1 7 . 1 1 6 6 SER C C 6 174.235 174.235 173.162 1.073 25694 2363 1 7 . 1 1 6 6 SER CA C 6 58.369 58.369 57.680 0.689 25694 2364 1 7 . 1 1 6 6 SER CB C 6 64.187 64.187 63.415 0.772 25694 2365 1 7 . 1 1 6 6 SER H H 6 8.199 8.199 8.141 0.058 25694 2366 1 7 . 1 1 7 7 TYR N N 7 122.124 122.124 122.539 -0.415 25694 2367 1 7 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.940 -0.364 25694 2368 1 7 . 1 1 7 7 TYR C C 7 175.530 175.530 174.717 0.813 25694 2369 1 7 . 1 1 7 7 TYR CA C 7 58.008 58.008 56.516 1.492 25694 2370 1 7 . 1 1 7 7 TYR CB C 7 38.969 38.969 39.669 -0.700 25694 2371 1 7 . 1 1 7 7 TYR H H 7 8.049 8.049 7.831 0.218 25694 2372 1 7 . 1 1 8 8 ARG N N 8 121.947 121.947 120.436 1.511 25694 2373 1 7 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.465 -0.139 25694 2374 1 7 . 1 1 8 8 ARG C C 8 175.845 175.845 174.896 0.949 25694 2375 1 7 . 1 1 8 8 ARG CA C 8 56.104 56.104 55.997 0.107 25694 2376 1 7 . 1 1 8 8 ARG CB C 8 31.100 31.100 31.773 -0.673 25694 2377 1 7 . 1 1 8 8 ARG H H 8 8.177 8.177 8.492 -0.315 25694 2378 1 7 . 1 1 9 9 CYS N N 9 120.943 120.943 117.933 3.010 25694 2379 1 7 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.845 0.109 25694 2380 1 7 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.571 -3.443 25694 2381 1 7 . 1 1 9 9 CYS CB C 9 40.218 40.218 27.884 12.334 25694 2382 1 7 . 1 1 9 9 CYS H H 9 8.173 8.173 8.219 -0.046 25694 2383 1 7 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.522 -0.170 25694 2384 1 7 . 1 1 10 10 PRO C C 10 177.347 177.347 175.852 1.495 25694 2385 1 7 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.856 1.003 25694 2386 1 7 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.305 0.203 25694 2387 1 7 . 1 1 11 11 CYS N N 11 114.096 114.096 116.976 -2.880 25694 2388 1 7 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.613 0.112 25694 2389 1 7 . 1 1 11 11 CYS CA C 11 53.429 53.429 58.160 -4.731 25694 2390 1 7 . 1 1 11 11 CYS CB C 11 39.279 39.279 28.735 10.543 25694 2391 1 7 . 1 1 11 11 CYS H H 11 8.232 8.232 7.899 0.333 25694 2392 1 7 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.114 -0.045 25694 2393 1 7 . 1 1 12 12 ARG C C 12 175.106 175.106 174.739 0.367 25694 2394 1 7 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.938 0.062 25694 2395 1 7 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.992 0.508 25694 2396 1 7 . 1 1 13 13 PHE N N 13 116.259 116.259 116.419 -0.160 25694 2397 1 7 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.680 -0.050 25694 2398 1 7 . 1 1 13 13 PHE C C 13 174.227 174.227 174.322 -0.095 25694 2399 1 7 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.277 -0.306 25694 2400 1 7 . 1 1 13 13 PHE CB C 13 41.059 41.059 41.515 -0.456 25694 2401 1 7 . 1 1 13 13 PHE H H 13 7.572 7.572 7.510 0.062 25694 2402 1 7 . 1 1 14 14 PHE N N 14 119.623 119.623 119.496 0.127 25694 2403 1 7 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.815 0.121 25694 2404 1 7 . 1 1 14 14 PHE C C 14 175.496 175.496 175.041 0.455 25694 2405 1 7 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.792 -0.645 25694 2406 1 7 . 1 1 14 14 PHE CB C 14 41.544 41.544 42.444 -0.900 25694 2407 1 7 . 1 1 14 14 PHE H H 14 8.450 8.450 8.508 -0.058 25694 2408 1 7 . 1 1 15 15 GLU N N 15 122.147 122.147 122.261 -0.114 25694 2409 1 7 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.622 0.013 25694 2410 1 7 . 1 1 15 15 GLU C C 15 176.990 176.990 176.489 0.501 25694 2411 1 7 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.769 1.012 25694 2412 1 7 . 1 1 15 15 GLU CB C 15 31.109 31.109 31.334 -0.225 25694 2413 1 7 . 1 1 15 15 GLU H H 15 8.956 8.956 8.976 -0.019 25694 2414 1 7 . 1 1 16 16 SER N N 16 119.943 119.943 120.871 -0.928 25694 2415 1 7 . 1 1 16 16 SER HA H 16 4.598 4.598 4.173 0.425 25694 2416 1 7 . 1 1 16 16 SER C C 16 174.385 174.385 174.424 -0.039 25694 2417 1 7 . 1 1 16 16 SER CA C 16 59.799 59.799 60.462 -0.663 25694 2418 1 7 . 1 1 16 16 SER CB C 16 64.517 64.517 63.395 1.122 25694 2419 1 7 . 1 1 16 16 SER H H 16 8.943 8.943 8.944 -0.001 25694 2420 1 7 . 1 1 17 17 HIS N N 17 119.124 119.124 119.772 -0.648 25694 2421 1 7 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.804 -0.104 25694 2422 1 7 . 1 1 17 17 HIS C C 17 174.567 174.567 173.660 0.907 25694 2423 1 7 . 1 1 17 17 HIS CA C 17 56.751 56.751 54.591 2.160 25694 2424 1 7 . 1 1 17 17 HIS CB C 17 29.896 29.896 28.518 1.378 25694 2425 1 7 . 1 1 17 17 HIS H H 17 8.649 8.649 8.012 0.637 25694 2426 1 7 . 1 1 18 18 VAL N N 18 121.960 121.960 123.486 -1.526 25694 2427 1 7 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.257 -0.100 25694 2428 1 7 . 1 1 18 18 VAL C C 18 175.140 175.140 175.307 -0.167 25694 2429 1 7 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.548 0.380 25694 2430 1 7 . 1 1 18 18 VAL CB C 18 33.700 33.700 33.467 0.233 25694 2431 1 7 . 1 1 18 18 VAL H H 18 7.876 7.876 7.980 -0.104 25694 2432 1 7 . 1 1 19 19 ALA N N 19 132.226 132.226 129.424 2.802 25694 2433 1 7 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.660 -0.145 25694 2434 1 7 . 1 1 19 19 ALA C C 19 178.060 178.060 177.939 0.121 25694 2435 1 7 . 1 1 19 19 ALA CA C 19 51.500 51.500 51.011 0.489 25694 2436 1 7 . 1 1 19 19 ALA CB C 19 18.884 18.884 19.645 -0.761 25694 2437 1 7 . 1 1 19 19 ALA H H 19 8.843 8.843 8.563 0.280 25694 2438 1 7 . 1 1 20 20 ARG N N 20 125.791 125.791 125.064 0.727 25694 2439 1 7 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.069 -0.232 25694 2440 1 7 . 1 1 20 20 ARG C C 20 178.459 178.459 177.227 1.232 25694 2441 1 7 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.480 0.159 25694 2442 1 7 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.539 -0.614 25694 2443 1 7 . 1 1 20 20 ARG H H 20 8.196 8.196 8.691 -0.495 25694 2444 1 7 . 1 1 21 21 ALA N N 21 117.396 117.396 118.245 -0.849 25694 2445 1 7 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.202 -0.120 25694 2446 1 7 . 1 1 21 21 ALA C C 21 177.745 177.745 177.310 0.435 25694 2447 1 7 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.258 0.551 25694 2448 1 7 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.404 0.480 25694 2449 1 7 . 1 1 21 21 ALA H H 21 8.309 8.309 8.188 0.121 25694 2450 1 7 . 1 1 22 22 ASN N N 22 113.201 113.201 115.924 -2.723 25694 2451 1 7 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.780 0.194 25694 2452 1 7 . 1 1 22 22 ASN C C 22 174.999 174.999 173.994 1.005 25694 2453 1 7 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.615 -0.025 25694 2454 1 7 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.946 -0.046 25694 2455 1 7 . 1 1 22 22 ASN H H 22 7.796 7.796 7.769 0.027 25694 2456 1 7 . 1 1 23 23 VAL N N 23 117.829 117.829 114.648 3.181 25694 2457 1 7 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.771 -0.283 25694 2458 1 7 . 1 1 23 23 VAL C C 23 174.393 174.393 175.024 -0.631 25694 2459 1 7 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.440 1.810 25694 2460 1 7 . 1 1 23 23 VAL CB C 23 33.700 33.700 33.843 -0.143 25694 2461 1 7 . 1 1 23 23 VAL H H 23 7.477 7.477 7.048 0.429 25694 2462 1 7 . 1 1 24 24 LYS N N 24 123.962 123.962 122.800 1.162 25694 2463 1 7 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.463 0.017 25694 2464 1 7 . 1 1 24 24 LYS C C 24 175.090 175.090 177.155 -2.065 25694 2465 1 7 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.462 -0.358 25694 2466 1 7 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.470 1.926 25694 2467 1 7 . 1 1 24 24 LYS H H 24 9.276 9.276 8.897 0.379 25694 2468 1 7 . 1 1 25 25 HIS N N 25 115.921 115.921 118.686 -2.765 25694 2469 1 7 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.753 -0.050 25694 2470 1 7 . 1 1 25 25 HIS C C 25 173.364 173.364 172.483 0.881 25694 2471 1 7 . 1 1 25 25 HIS CA C 25 55.781 55.781 55.347 0.434 25694 2472 1 7 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.902 -0.741 25694 2473 1 7 . 1 1 25 25 HIS H H 25 7.964 7.964 7.763 0.201 25694 2474 1 7 . 1 1 26 26 LEU N N 26 122.215 122.215 125.300 -3.085 25694 2475 1 7 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.077 -0.109 25694 2476 1 7 . 1 1 26 26 LEU C C 26 175.720 175.720 174.749 0.971 25694 2477 1 7 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.205 2.252 25694 2478 1 7 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.840 -0.246 25694 2479 1 7 . 1 1 26 26 LEU H H 26 8.076 8.076 8.349 -0.273 25694 2480 1 7 . 1 1 27 27 LYS N N 27 122.738 122.738 123.043 -0.305 25694 2481 1 7 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.709 0.060 25694 2482 1 7 . 1 1 27 27 LYS C C 27 173.953 173.953 174.901 -0.948 25694 2483 1 7 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.026 1.104 25694 2484 1 7 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.854 0.446 25694 2485 1 7 . 1 1 27 27 LYS H H 27 9.113 9.113 8.923 0.190 25694 2486 1 7 . 1 1 28 28 ILE N N 28 122.212 122.212 122.766 -0.554 25694 2487 1 7 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.839 -0.063 25694 2488 1 7 . 1 1 28 28 ILE C C 28 175.895 175.895 176.109 -0.214 25694 2489 1 7 . 1 1 28 28 ILE CA C 28 60.200 60.200 60.868 -0.668 25694 2490 1 7 . 1 1 28 28 ILE CB C 28 39.200 39.200 38.679 0.521 25694 2491 1 7 . 1 1 28 28 ILE H H 28 8.535 8.535 8.594 -0.059 25694 2492 1 7 . 1 1 29 29 LEU N N 29 128.977 128.977 130.735 -1.758 25694 2493 1 7 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.674 0.041 25694 2494 1 7 . 1 1 29 29 LEU C C 29 175.438 175.438 175.147 0.291 25694 2495 1 7 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.286 0.813 25694 2496 1 7 . 1 1 29 29 LEU CB C 29 44.132 44.132 40.131 4.001 25694 2497 1 7 . 1 1 29 29 LEU H H 29 9.137 9.137 8.625 0.512 25694 2498 1 7 . 1 1 30 30 ASN N N 30 124.331 124.331 118.761 5.570 25694 2499 1 7 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.883 0.262 25694 2500 1 7 . 1 1 30 30 ASN C C 30 174.335 174.335 174.835 -0.500 25694 2501 1 7 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.911 0.502 25694 2502 1 7 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.228 1.372 25694 2503 1 7 . 1 1 30 30 ASN H H 30 8.824 8.824 8.184 0.640 25694 2504 1 7 . 1 1 31 31 THR N N 31 118.685 118.685 114.400 4.285 25694 2505 1 7 . 1 1 31 31 THR HA H 31 4.796 4.796 4.798 -0.002 25694 2506 1 7 . 1 1 31 31 THR CA C 31 59.600 59.600 58.509 1.091 25694 2507 1 7 . 1 1 31 31 THR CB C 31 70.459 70.459 69.550 0.909 25694 2508 1 7 . 1 1 31 31 THR H H 31 8.456 8.456 7.848 0.608 25694 2509 1 7 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.455 -0.165 25694 2510 1 7 . 1 1 32 32 PRO C C 32 177.197 177.197 177.358 -0.161 25694 2511 1 7 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.590 0.251 25694 2512 1 7 . 1 1 32 32 PRO CB C 32 32.170 32.170 32.080 0.090 25694 2513 1 7 . 1 1 33 33 ASN N N 33 112.484 112.484 115.356 -2.872 25694 2514 1 7 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.741 -0.259 25694 2515 1 7 . 1 1 33 33 ASN C C 33 174.526 174.526 174.366 0.160 25694 2516 1 7 . 1 1 33 33 ASN CA C 33 54.945 54.945 53.416 1.529 25694 2517 1 7 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.775 -0.143 25694 2518 1 7 . 1 1 33 33 ASN H H 33 8.470 8.470 8.550 -0.080 25694 2519 1 7 . 1 1 34 34 CYS N N 34 116.720 116.720 115.327 1.393 25694 2520 1 7 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.645 0.282 25694 2521 1 7 . 1 1 34 34 CYS C C 34 173.762 173.762 172.967 0.795 25694 2522 1 7 . 1 1 34 34 CYS CA C 34 54.810 54.810 57.007 -2.197 25694 2523 1 7 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.972 14.128 25694 2524 1 7 . 1 1 34 34 CYS H H 34 7.663 7.663 7.164 0.499 25694 2525 1 7 . 1 1 35 35 ALA N N 35 125.254 125.254 122.226 3.028 25694 2526 1 7 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.484 -0.187 25694 2527 1 7 . 1 1 35 35 ALA C C 35 176.882 176.882 176.182 0.700 25694 2528 1 7 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.443 0.970 25694 2529 1 7 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.038 -1.070 25694 2530 1 7 . 1 1 35 35 ALA H H 35 8.449 8.449 8.216 0.233 25694 2531 1 7 . 1 1 36 36 LEU N N 36 122.078 122.078 119.384 2.694 25694 2532 1 7 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.840 -0.439 25694 2533 1 7 . 1 1 36 36 LEU C C 36 176.442 176.442 176.150 0.292 25694 2534 1 7 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.153 2.598 25694 2535 1 7 . 1 1 36 36 LEU CB C 36 42.465 42.465 42.241 0.224 25694 2536 1 7 . 1 1 36 36 LEU H H 36 8.073 8.073 8.155 -0.082 25694 2537 1 7 . 1 1 37 37 GLN N N 37 121.790 121.790 123.627 -1.837 25694 2538 1 7 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.905 -0.157 25694 2539 1 7 . 1 1 37 37 GLN C C 37 173.804 173.804 174.946 -1.142 25694 2540 1 7 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.134 0.266 25694 2541 1 7 . 1 1 37 37 GLN CB C 37 32.463 32.463 32.474 -0.010 25694 2542 1 7 . 1 1 37 37 GLN H H 37 8.397 8.397 9.108 -0.711 25694 2543 1 7 . 1 1 38 38 ILE N N 38 123.702 123.702 122.855 0.847 25694 2544 1 7 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.499 0.246 25694 2545 1 7 . 1 1 38 38 ILE C C 38 174.808 174.808 174.583 0.225 25694 2546 1 7 . 1 1 38 38 ILE CA C 38 60.950 60.950 59.301 1.649 25694 2547 1 7 . 1 1 38 38 ILE CB C 38 39.600 39.600 38.778 0.822 25694 2548 1 7 . 1 1 38 38 ILE H H 38 9.213 9.213 8.374 0.839 25694 2549 1 7 . 1 1 39 39 VAL N N 39 125.930 125.930 129.219 -3.289 25694 2550 1 7 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.871 0.145 25694 2551 1 7 . 1 1 39 39 VAL C C 39 174.741 174.741 174.013 0.728 25694 2552 1 7 . 1 1 39 39 VAL CA C 39 60.950 60.950 60.875 0.075 25694 2553 1 7 . 1 1 39 39 VAL CB C 39 34.426 34.426 34.047 0.379 25694 2554 1 7 . 1 1 39 39 VAL H H 39 9.056 9.056 8.375 0.681 25694 2555 1 7 . 1 1 40 40 ALA N N 40 127.551 127.551 129.709 -2.158 25694 2556 1 7 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.290 0.042 25694 2557 1 7 . 1 1 40 40 ALA C C 40 175.948 175.948 175.317 0.631 25694 2558 1 7 . 1 1 40 40 ALA CA C 40 50.280 50.280 50.031 0.249 25694 2559 1 7 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.354 0.709 25694 2560 1 7 . 1 1 40 40 ALA H H 40 9.335 9.335 9.430 -0.095 25694 2561 1 7 . 1 1 41 41 ARG N N 41 118.658 118.658 120.739 -2.081 25694 2562 1 7 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.108 0.111 25694 2563 1 7 . 1 1 41 41 ARG C C 41 176.310 176.310 175.655 0.655 25694 2564 1 7 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.420 0.680 25694 2565 1 7 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.456 0.972 25694 2566 1 7 . 1 1 41 41 ARG H H 41 8.511 8.511 9.004 -0.493 25694 2567 1 7 . 1 1 42 42 LEU N N 42 125.307 125.307 125.432 -0.125 25694 2568 1 7 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.663 0.263 25694 2569 1 7 . 1 1 42 42 LEU C C 42 178.475 178.475 178.012 0.463 25694 2570 1 7 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.262 -0.933 25694 2571 1 7 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.194 -0.697 25694 2572 1 7 . 1 1 42 42 LEU H H 42 9.038 9.038 9.019 0.019 25694 2573 1 7 . 1 1 43 43 LYS N N 43 120.597 120.597 123.262 -2.665 25694 2574 1 7 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.965 -0.132 25694 2575 1 7 . 1 1 43 43 LYS C C 43 178.342 178.342 178.529 -0.187 25694 2576 1 7 . 1 1 43 43 LYS CA C 43 59.340 59.340 60.050 -0.710 25694 2577 1 7 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.472 0.973 25694 2578 1 7 . 1 1 43 43 LYS H H 43 8.480 8.480 8.828 -0.348 25694 2579 1 7 . 1 1 44 44 ASN N N 44 114.812 114.812 116.289 -1.477 25694 2580 1 7 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.532 -0.056 25694 2581 1 7 . 1 1 44 44 ASN C C 44 176.032 176.032 176.374 -0.342 25694 2582 1 7 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.400 0.380 25694 2583 1 7 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.582 -0.075 25694 2584 1 7 . 1 1 44 44 ASN H H 44 8.725 8.725 8.474 0.251 25694 2585 1 7 . 1 1 45 45 ASN N N 45 115.093 115.093 118.271 -3.178 25694 2586 1 7 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.567 0.171 25694 2587 1 7 . 1 1 45 45 ASN C C 45 175.513 175.513 175.266 0.247 25694 2588 1 7 . 1 1 45 45 ASN CA C 45 52.769 52.769 53.007 -0.238 25694 2589 1 7 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.696 0.515 25694 2590 1 7 . 1 1 45 45 ASN H H 45 7.519 7.519 8.049 -0.530 25694 2591 1 7 . 1 1 46 46 ASN N N 46 116.121 116.121 114.171 1.950 25694 2592 1 7 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.630 0.039 25694 2593 1 7 . 1 1 46 46 ASN C C 46 174.816 174.816 173.446 1.370 25694 2594 1 7 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.833 -0.033 25694 2595 1 7 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.559 1.720 25694 2596 1 7 . 1 1 46 46 ASN H H 46 8.033 8.033 8.505 -0.472 25694 2597 1 7 . 1 1 47 47 ARG N N 47 119.917 119.917 118.200 1.717 25694 2598 1 7 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.454 -0.201 25694 2599 1 7 . 1 1 47 47 ARG C C 47 175.845 175.845 175.159 0.686 25694 2600 1 7 . 1 1 47 47 ARG CA C 47 57.084 57.084 55.645 1.439 25694 2601 1 7 . 1 1 47 47 ARG CB C 47 31.785 31.785 31.465 0.320 25694 2602 1 7 . 1 1 47 47 ARG H H 47 7.981 7.981 7.852 0.129 25694 2603 1 7 . 1 1 48 48 GLN N N 48 123.497 123.497 123.216 0.281 25694 2604 1 7 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.326 -0.084 25694 2605 1 7 . 1 1 48 48 GLN C C 48 175.629 175.629 174.982 0.647 25694 2606 1 7 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.454 0.326 25694 2607 1 7 . 1 1 48 48 GLN CB C 48 31.190 31.190 29.922 1.268 25694 2608 1 7 . 1 1 48 48 GLN H H 48 8.737 8.737 8.511 0.226 25694 2609 1 7 . 1 1 49 49 VAL N N 49 119.819 119.819 125.116 -5.297 25694 2610 1 7 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.490 0.283 25694 2611 1 7 . 1 1 49 49 VAL C C 49 174.235 174.235 173.174 1.061 25694 2612 1 7 . 1 1 49 49 VAL CA C 49 59.266 59.266 59.649 -0.383 25694 2613 1 7 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.037 -0.037 25694 2614 1 7 . 1 1 49 49 VAL H H 49 9.150 9.150 9.239 -0.089 25694 2615 1 7 . 1 1 50 50 CYS N N 50 120.721 120.721 123.580 -2.859 25694 2616 1 7 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.672 -0.019 25694 2617 1 7 . 1 1 50 50 CYS C C 50 174.078 174.078 174.687 -0.609 25694 2618 1 7 . 1 1 50 50 CYS CA C 50 56.428 56.428 56.669 -0.240 25694 2619 1 7 . 1 1 50 50 CYS CB C 50 45.270 45.270 27.689 17.581 25694 2620 1 7 . 1 1 50 50 CYS H H 50 8.854 8.854 8.720 0.134 25694 2621 1 7 . 1 1 51 51 ILE N N 51 124.038 124.038 127.284 -3.246 25694 2622 1 7 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.658 -0.148 25694 2623 1 7 . 1 1 51 51 ILE C C 51 174.775 174.775 174.806 -0.031 25694 2624 1 7 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.654 -1.354 25694 2625 1 7 . 1 1 51 51 ILE CB C 51 39.603 39.603 40.267 -0.664 25694 2626 1 7 . 1 1 51 51 ILE H H 51 8.934 8.934 9.244 -0.310 25694 2627 1 7 . 1 1 52 52 ASP N N 52 127.393 127.393 123.331 4.062 25694 2628 1 7 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.481 -0.736 25694 2629 1 7 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.785 0.105 25694 2630 1 7 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.476 0.686 25694 2631 1 7 . 1 1 52 52 ASP H H 52 8.098 8.098 8.107 -0.009 25694 2632 1 7 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.282 -0.197 25694 2633 1 7 . 1 1 53 53 PRO C C 53 176.500 176.500 175.812 0.688 25694 2634 1 7 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.360 1.150 25694 2635 1 7 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.632 0.640 25694 2636 1 7 . 1 1 54 54 LYS N N 54 116.899 116.899 116.947 -0.048 25694 2637 1 7 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.339 -0.134 25694 2638 1 7 . 1 1 54 54 LYS C C 54 176.791 176.791 177.161 -0.370 25694 2639 1 7 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.943 -0.243 25694 2640 1 7 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.788 -1.988 25694 2641 1 7 . 1 1 54 54 LYS H H 54 8.129 8.129 7.628 0.501 25694 2642 1 7 . 1 1 55 55 CYS N N 55 119.988 119.988 118.642 1.346 25694 2643 1 7 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.280 0.117 25694 2644 1 7 . 1 1 55 55 CYS CA C 55 57.075 57.075 58.106 -1.031 25694 2645 1 7 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.678 12.866 25694 2646 1 7 . 1 1 55 55 CYS H H 55 7.989 7.989 7.378 0.611 25694 2647 1 7 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.076 0.051 25694 2648 1 7 . 1 1 56 56 LYS C C 56 178.326 178.326 178.335 -0.009 25694 2649 1 7 . 1 1 56 56 LYS CA C 56 60.600 60.600 59.427 1.173 25694 2650 1 7 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.992 -0.192 25694 2651 1 7 . 1 1 57 57 TRP N N 57 114.860 114.860 116.529 -1.669 25694 2652 1 7 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.679 0.226 25694 2653 1 7 . 1 1 57 57 TRP C C 57 177.803 177.803 177.606 0.197 25694 2654 1 7 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.762 -1.522 25694 2655 1 7 . 1 1 57 57 TRP CB C 57 28.925 28.925 28.244 0.681 25694 2656 1 7 . 1 1 57 57 TRP H H 57 7.274 7.274 7.843 -0.569 25694 2657 1 7 . 1 1 58 58 CYS N N 58 121.960 121.960 117.589 4.371 25694 2658 1 7 . 1 1 58 58 CYS HA H 58 3.917 3.917 4.192 -0.275 25694 2659 1 7 . 1 1 58 58 CYS C C 58 175.480 175.480 177.263 -1.783 25694 2660 1 7 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.538 4.296 25694 2661 1 7 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.789 10.578 25694 2662 1 7 . 1 1 58 58 CYS H H 58 7.780 7.780 7.422 0.358 25694 2663 1 7 . 1 1 59 59 GLN N N 59 119.203 119.203 118.824 0.379 25694 2664 1 7 . 1 1 59 59 GLN HA H 59 3.947 3.947 4.034 -0.087 25694 2665 1 7 . 1 1 59 59 GLN C C 59 178.152 178.152 178.572 -0.420 25694 2666 1 7 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.358 1.305 25694 2667 1 7 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.592 0.380 25694 2668 1 7 . 1 1 59 59 GLN H H 59 8.073 8.073 7.944 0.129 25694 2669 1 7 . 1 1 60 60 GLU N N 60 118.831 118.831 119.947 -1.116 25694 2670 1 7 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.200 -0.079 25694 2671 1 7 . 1 1 60 60 GLU C C 60 178.367 178.367 178.699 -0.332 25694 2672 1 7 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.506 0.834 25694 2673 1 7 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.444 0.452 25694 2674 1 7 . 1 1 60 60 GLU H H 60 8.085 8.085 7.813 0.272 25694 2675 1 7 . 1 1 61 61 TYR N N 61 118.802 118.802 121.791 -2.989 25694 2676 1 7 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.250 0.080 25694 2677 1 7 . 1 1 61 61 TYR C C 61 177.629 177.629 177.677 -0.048 25694 2678 1 7 . 1 1 61 61 TYR CA C 61 61.281 61.281 61.087 0.195 25694 2679 1 7 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.326 0.630 25694 2680 1 7 . 1 1 61 61 TYR H H 61 7.666 7.666 8.197 -0.531 25694 2681 1 7 . 1 1 62 62 LEU N N 62 119.351 119.351 118.891 0.460 25694 2682 1 7 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.347 0.520 25694 2683 1 7 . 1 1 62 62 LEU C C 62 178.724 178.724 179.177 -0.453 25694 2684 1 7 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.920 -0.301 25694 2685 1 7 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.191 0.999 25694 2686 1 7 . 1 1 62 62 LEU H H 62 8.275 8.275 8.678 -0.403 25694 2687 1 7 . 1 1 63 63 GLU N N 63 118.049 118.049 117.586 0.463 25694 2688 1 7 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.060 -0.063 25694 2689 1 7 . 1 1 63 63 GLU C C 63 178.649 178.649 178.375 0.274 25694 2690 1 7 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.651 0.492 25694 2691 1 7 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.104 0.792 25694 2692 1 7 . 1 1 63 63 GLU H H 63 8.066 8.066 7.843 0.223 25694 2693 1 7 . 1 1 64 64 LYS N N 64 117.297 117.297 118.234 -0.937 25694 2694 1 7 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.256 -0.028 25694 2695 1 7 . 1 1 64 64 LYS C C 64 178.085 178.085 178.700 -0.615 25694 2696 1 7 . 1 1 64 64 LYS CA C 64 57.820 57.820 57.402 0.418 25694 2697 1 7 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.595 0.213 25694 2698 1 7 . 1 1 64 64 LYS H H 64 7.572 7.572 7.620 -0.048 25694 2699 1 7 . 1 1 65 65 ALA N N 65 121.570 121.570 122.320 -0.750 25694 2700 1 7 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.207 -0.033 25694 2701 1 7 . 1 1 65 65 ALA C C 65 178.707 178.707 179.420 -0.713 25694 2702 1 7 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.493 -0.693 25694 2703 1 7 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.033 1.501 25694 2704 1 7 . 1 1 65 65 ALA H H 65 7.964 7.964 8.347 -0.383 25694 2705 1 7 . 1 1 66 66 LEU N N 66 117.399 117.399 118.615 -1.216 25694 2706 1 7 . 1 1 66 66 LEU HA H 66 4.325 4.325 4.023 0.302 25694 2707 1 7 . 1 1 66 66 LEU C C 66 177.264 177.264 178.393 -1.129 25694 2708 1 7 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.198 -0.741 25694 2709 1 7 . 1 1 66 66 LEU CB C 66 42.500 42.500 40.562 1.938 25694 2710 1 7 . 1 1 66 66 LEU H H 66 7.888 7.888 7.662 0.226 25694 2711 1 7 . 1 1 67 67 ASN N N 67 118.846 118.846 118.295 0.551 25694 2712 1 7 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.572 0.198 25694 2713 1 7 . 1 1 67 67 ASN C C 67 174.094 174.094 175.603 -1.509 25694 2714 1 7 . 1 1 67 67 ASN CA C 67 53.434 53.434 55.056 -1.622 25694 2715 1 7 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.441 -0.162 25694 2716 1 7 . 1 1 67 67 ASN H H 67 7.959 7.959 7.716 0.243 25694 2717 1 8 . 1 1 0 0 MET HA H 0 4.501 4.501 4.488 0.013 25694 2718 1 8 . 1 1 0 0 MET C C 0 176.102 176.102 175.979 0.123 25694 2719 1 8 . 1 1 0 0 MET CA C 0 55.781 55.781 55.874 -0.094 25694 2720 1 8 . 1 1 0 0 MET CB C 0 33.455 33.455 33.243 0.212 25694 2721 1 8 . 1 1 1 1 LYS N N 1 124.708 124.708 125.761 -1.053 25694 2722 1 8 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.611 0.027 25694 2723 1 8 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.648 -0.162 25694 2724 1 8 . 1 1 1 1 LYS CB C 1 32.808 32.808 32.729 0.079 25694 2725 1 8 . 1 1 1 1 LYS H H 1 8.503 8.503 8.358 0.145 25694 2726 1 8 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.485 -0.001 25694 2727 1 8 . 1 1 2 2 PRO C C 2 177.031 177.031 176.868 0.163 25694 2728 1 8 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.696 0.504 25694 2729 1 8 . 1 1 2 2 PRO CB C 2 32.161 32.161 32.122 0.039 25694 2730 1 8 . 1 1 3 3 VAL N N 3 120.641 120.641 120.224 0.417 25694 2731 1 8 . 1 1 3 3 VAL HA H 3 4.119 4.119 3.904 0.215 25694 2732 1 8 . 1 1 3 3 VAL C C 3 176.393 176.393 175.066 1.327 25694 2733 1 8 . 1 1 3 3 VAL CA C 3 62.495 62.495 62.905 -0.410 25694 2734 1 8 . 1 1 3 3 VAL CB C 3 33.100 33.100 31.732 1.369 25694 2735 1 8 . 1 1 3 3 VAL H H 3 8.290 8.290 8.276 0.014 25694 2736 1 8 . 1 1 4 4 SER N N 4 119.097 119.097 120.360 -1.263 25694 2737 1 8 . 1 1 4 4 SER HA H 4 4.470 4.470 4.850 -0.380 25694 2738 1 8 . 1 1 4 4 SER C C 4 174.617 174.617 173.782 0.835 25694 2739 1 8 . 1 1 4 4 SER CA C 4 58.369 58.369 57.943 0.426 25694 2740 1 8 . 1 1 4 4 SER CB C 4 64.187 64.187 63.539 0.648 25694 2741 1 8 . 1 1 4 4 SER H H 4 8.349 8.349 8.279 0.070 25694 2742 1 8 . 1 1 5 5 LEU N N 5 124.723 124.723 122.259 2.464 25694 2743 1 8 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.703 -0.323 25694 2744 1 8 . 1 1 5 5 LEU C C 5 177.355 177.355 177.147 0.208 25694 2745 1 8 . 1 1 5 5 LEU CA C 5 55.388 55.388 53.867 1.521 25694 2746 1 8 . 1 1 5 5 LEU CB C 5 42.515 42.515 42.804 -0.289 25694 2747 1 8 . 1 1 5 5 LEU H H 5 8.339 8.339 7.914 0.425 25694 2748 1 8 . 1 1 6 6 SER N N 6 115.926 115.926 111.451 4.475 25694 2749 1 8 . 1 1 6 6 SER HA H 6 4.414 4.414 4.076 0.338 25694 2750 1 8 . 1 1 6 6 SER C C 6 174.235 174.235 174.398 -0.163 25694 2751 1 8 . 1 1 6 6 SER CA C 6 58.369 58.369 59.630 -1.261 25694 2752 1 8 . 1 1 6 6 SER CB C 6 64.187 64.187 62.425 1.762 25694 2753 1 8 . 1 1 6 6 SER H H 6 8.199 8.199 8.621 -0.422 25694 2754 1 8 . 1 1 7 7 TYR N N 7 122.124 122.124 116.895 5.229 25694 2755 1 8 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.352 0.224 25694 2756 1 8 . 1 1 7 7 TYR C C 7 175.530 175.530 176.807 -1.277 25694 2757 1 8 . 1 1 7 7 TYR CA C 7 58.008 58.008 58.752 -0.744 25694 2758 1 8 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.153 0.816 25694 2759 1 8 . 1 1 7 7 TYR H H 7 8.049 8.049 7.834 0.215 25694 2760 1 8 . 1 1 8 8 ARG N N 8 121.947 121.947 116.213 5.734 25694 2761 1 8 . 1 1 8 8 ARG HA H 8 4.326 4.326 3.768 0.558 25694 2762 1 8 . 1 1 8 8 ARG C C 8 175.845 175.845 175.341 0.504 25694 2763 1 8 . 1 1 8 8 ARG CA C 8 56.104 56.104 58.608 -2.503 25694 2764 1 8 . 1 1 8 8 ARG CB C 8 31.100 31.100 28.632 2.468 25694 2765 1 8 . 1 1 8 8 ARG H H 8 8.177 8.177 7.899 0.278 25694 2766 1 8 . 1 1 9 9 CYS N N 9 120.943 120.943 118.842 2.101 25694 2767 1 8 . 1 1 9 9 CYS HA H 9 4.954 4.954 5.022 -0.068 25694 2768 1 8 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.216 -3.089 25694 2769 1 8 . 1 1 9 9 CYS CB C 9 40.218 40.218 28.073 12.145 25694 2770 1 8 . 1 1 9 9 CYS H H 9 8.173 8.173 8.245 -0.072 25694 2771 1 8 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.252 0.100 25694 2772 1 8 . 1 1 10 10 PRO C C 10 177.347 177.347 176.083 1.264 25694 2773 1 8 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.886 0.973 25694 2774 1 8 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.001 0.507 25694 2775 1 8 . 1 1 11 11 CYS N N 11 114.096 114.096 117.344 -3.248 25694 2776 1 8 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.742 -0.017 25694 2777 1 8 . 1 1 11 11 CYS CA C 11 53.429 53.429 56.697 -3.268 25694 2778 1 8 . 1 1 11 11 CYS CB C 11 39.279 39.279 28.483 10.796 25694 2779 1 8 . 1 1 11 11 CYS H H 11 8.232 8.232 7.740 0.492 25694 2780 1 8 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.108 -0.039 25694 2781 1 8 . 1 1 12 12 ARG C C 12 175.106 175.106 175.088 0.018 25694 2782 1 8 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.861 0.139 25694 2783 1 8 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.521 0.979 25694 2784 1 8 . 1 1 13 13 PHE N N 13 116.259 116.259 117.992 -1.733 25694 2785 1 8 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.696 -0.066 25694 2786 1 8 . 1 1 13 13 PHE C C 13 174.227 174.227 174.414 -0.187 25694 2787 1 8 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.745 -0.774 25694 2788 1 8 . 1 1 13 13 PHE CB C 13 41.059 41.059 41.436 -0.377 25694 2789 1 8 . 1 1 13 13 PHE H H 13 7.572 7.572 7.451 0.121 25694 2790 1 8 . 1 1 14 14 PHE N N 14 119.623 119.623 119.163 0.460 25694 2791 1 8 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.779 0.157 25694 2792 1 8 . 1 1 14 14 PHE C C 14 175.496 175.496 174.905 0.591 25694 2793 1 8 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.357 -0.210 25694 2794 1 8 . 1 1 14 14 PHE CB C 14 41.544 41.544 42.754 -1.210 25694 2795 1 8 . 1 1 14 14 PHE H H 14 8.450 8.450 8.495 -0.045 25694 2796 1 8 . 1 1 15 15 GLU N N 15 122.147 122.147 122.890 -0.743 25694 2797 1 8 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.636 -0.001 25694 2798 1 8 . 1 1 15 15 GLU C C 15 176.990 176.990 175.735 1.255 25694 2799 1 8 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.671 1.109 25694 2800 1 8 . 1 1 15 15 GLU CB C 15 31.109 31.109 31.171 -0.062 25694 2801 1 8 . 1 1 15 15 GLU H H 15 8.956 8.956 9.250 -0.294 25694 2802 1 8 . 1 1 16 16 SER N N 16 119.943 119.943 121.067 -1.124 25694 2803 1 8 . 1 1 16 16 SER HA H 16 4.598 4.598 4.088 0.510 25694 2804 1 8 . 1 1 16 16 SER C C 16 174.385 174.385 174.343 0.042 25694 2805 1 8 . 1 1 16 16 SER CA C 16 59.799 59.799 59.023 0.777 25694 2806 1 8 . 1 1 16 16 SER CB C 16 64.517 64.517 63.099 1.418 25694 2807 1 8 . 1 1 16 16 SER H H 16 8.943 8.943 8.863 0.080 25694 2808 1 8 . 1 1 17 17 HIS N N 17 119.124 119.124 121.782 -2.658 25694 2809 1 8 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.186 0.514 25694 2810 1 8 . 1 1 17 17 HIS C C 17 174.567 174.567 173.502 1.065 25694 2811 1 8 . 1 1 17 17 HIS CA C 17 56.751 56.751 56.519 0.232 25694 2812 1 8 . 1 1 17 17 HIS CB C 17 29.896 29.896 26.511 3.385 25694 2813 1 8 . 1 1 17 17 HIS H H 17 8.649 8.649 9.139 -0.490 25694 2814 1 8 . 1 1 18 18 VAL N N 18 121.960 121.960 121.655 0.305 25694 2815 1 8 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.276 -0.119 25694 2816 1 8 . 1 1 18 18 VAL C C 18 175.140 175.140 175.692 -0.552 25694 2817 1 8 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.752 0.176 25694 2818 1 8 . 1 1 18 18 VAL CB C 18 33.700 33.700 33.227 0.473 25694 2819 1 8 . 1 1 18 18 VAL H H 18 7.876 7.876 8.387 -0.511 25694 2820 1 8 . 1 1 19 19 ALA N N 19 132.226 132.226 128.571 3.655 25694 2821 1 8 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.567 -0.052 25694 2822 1 8 . 1 1 19 19 ALA C C 19 178.060 178.060 177.756 0.304 25694 2823 1 8 . 1 1 19 19 ALA CA C 19 51.500 51.500 51.418 0.082 25694 2824 1 8 . 1 1 19 19 ALA CB C 19 18.884 18.884 19.608 -0.724 25694 2825 1 8 . 1 1 19 19 ALA H H 19 8.843 8.843 8.648 0.195 25694 2826 1 8 . 1 1 20 20 ARG N N 20 125.791 125.791 124.785 1.006 25694 2827 1 8 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.012 -0.175 25694 2828 1 8 . 1 1 20 20 ARG C C 20 178.459 178.459 177.286 1.173 25694 2829 1 8 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.499 0.140 25694 2830 1 8 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.288 -0.363 25694 2831 1 8 . 1 1 20 20 ARG H H 20 8.196 8.196 8.524 -0.328 25694 2832 1 8 . 1 1 21 21 ALA N N 21 117.396 117.396 118.304 -0.908 25694 2833 1 8 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.109 -0.027 25694 2834 1 8 . 1 1 21 21 ALA C C 21 177.745 177.745 177.965 -0.220 25694 2835 1 8 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.759 0.050 25694 2836 1 8 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.145 0.739 25694 2837 1 8 . 1 1 21 21 ALA H H 21 8.309 8.309 8.232 0.077 25694 2838 1 8 . 1 1 22 22 ASN N N 22 113.201 113.201 115.977 -2.776 25694 2839 1 8 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.812 0.162 25694 2840 1 8 . 1 1 22 22 ASN C C 22 174.999 174.999 173.963 1.036 25694 2841 1 8 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.947 -0.357 25694 2842 1 8 . 1 1 22 22 ASN CB C 22 39.900 39.900 40.469 -0.569 25694 2843 1 8 . 1 1 22 22 ASN H H 22 7.796 7.796 7.791 0.005 25694 2844 1 8 . 1 1 23 23 VAL N N 23 117.829 117.829 114.030 3.799 25694 2845 1 8 . 1 1 23 23 VAL HA H 23 4.488 4.488 5.009 -0.521 25694 2846 1 8 . 1 1 23 23 VAL C C 23 174.393 174.393 175.040 -0.647 25694 2847 1 8 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.411 1.839 25694 2848 1 8 . 1 1 23 23 VAL CB C 23 33.700 33.700 33.933 -0.233 25694 2849 1 8 . 1 1 23 23 VAL H H 23 7.477 7.477 7.224 0.253 25694 2850 1 8 . 1 1 24 24 LYS N N 24 123.962 123.962 122.718 1.244 25694 2851 1 8 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.552 -0.072 25694 2852 1 8 . 1 1 24 24 LYS C C 24 175.090 175.090 176.746 -1.656 25694 2853 1 8 . 1 1 24 24 LYS CA C 24 56.104 56.104 55.758 0.346 25694 2854 1 8 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.179 2.217 25694 2855 1 8 . 1 1 24 24 LYS H H 24 9.276 9.276 8.794 0.482 25694 2856 1 8 . 1 1 25 25 HIS N N 25 115.921 115.921 117.468 -1.547 25694 2857 1 8 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.721 -0.018 25694 2858 1 8 . 1 1 25 25 HIS C C 25 173.364 173.364 172.488 0.876 25694 2859 1 8 . 1 1 25 25 HIS CA C 25 55.781 55.781 56.046 -0.265 25694 2860 1 8 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.079 0.082 25694 2861 1 8 . 1 1 25 25 HIS H H 25 7.964 7.964 7.629 0.335 25694 2862 1 8 . 1 1 26 26 LEU N N 26 122.215 122.215 124.828 -2.613 25694 2863 1 8 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.208 -0.240 25694 2864 1 8 . 1 1 26 26 LEU C C 26 175.720 175.720 175.457 0.263 25694 2865 1 8 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.568 1.889 25694 2866 1 8 . 1 1 26 26 LEU CB C 26 45.594 45.594 46.276 -0.682 25694 2867 1 8 . 1 1 26 26 LEU H H 26 8.076 8.076 8.420 -0.344 25694 2868 1 8 . 1 1 27 27 LYS N N 27 122.738 122.738 119.558 3.180 25694 2869 1 8 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.605 0.164 25694 2870 1 8 . 1 1 27 27 LYS C C 27 173.953 173.953 174.847 -0.894 25694 2871 1 8 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.735 0.395 25694 2872 1 8 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.613 0.687 25694 2873 1 8 . 1 1 27 27 LYS H H 27 9.113 9.113 8.894 0.219 25694 2874 1 8 . 1 1 28 28 ILE N N 28 122.212 122.212 122.776 -0.564 25694 2875 1 8 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.454 0.322 25694 2876 1 8 . 1 1 28 28 ILE C C 28 175.895 175.895 175.649 0.246 25694 2877 1 8 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.766 0.434 25694 2878 1 8 . 1 1 28 28 ILE CB C 28 39.200 39.200 38.012 1.188 25694 2879 1 8 . 1 1 28 28 ILE H H 28 8.535 8.535 8.592 -0.057 25694 2880 1 8 . 1 1 29 29 LEU N N 29 128.977 128.977 130.775 -1.798 25694 2881 1 8 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.597 0.118 25694 2882 1 8 . 1 1 29 29 LEU C C 29 175.438 175.438 174.538 0.900 25694 2883 1 8 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.685 0.415 25694 2884 1 8 . 1 1 29 29 LEU CB C 29 44.132 44.132 41.067 3.065 25694 2885 1 8 . 1 1 29 29 LEU H H 29 9.137 9.137 9.056 0.081 25694 2886 1 8 . 1 1 30 30 ASN N N 30 124.331 124.331 124.809 -0.478 25694 2887 1 8 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.956 0.189 25694 2888 1 8 . 1 1 30 30 ASN C C 30 174.335 174.335 174.284 0.051 25694 2889 1 8 . 1 1 30 30 ASN CA C 30 52.413 52.413 52.338 0.075 25694 2890 1 8 . 1 1 30 30 ASN CB C 30 39.600 39.600 39.334 0.266 25694 2891 1 8 . 1 1 30 30 ASN H H 30 8.824 8.824 8.295 0.529 25694 2892 1 8 . 1 1 31 31 THR N N 31 118.685 118.685 115.569 3.116 25694 2893 1 8 . 1 1 31 31 THR HA H 31 4.796 4.796 4.882 -0.086 25694 2894 1 8 . 1 1 31 31 THR CA C 31 59.600 59.600 58.170 1.430 25694 2895 1 8 . 1 1 31 31 THR CB C 31 70.459 70.459 69.947 0.512 25694 2896 1 8 . 1 1 31 31 THR H H 31 8.456 8.456 7.718 0.738 25694 2897 1 8 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.407 -0.117 25694 2898 1 8 . 1 1 32 32 PRO C C 32 177.197 177.197 177.073 0.124 25694 2899 1 8 . 1 1 32 32 PRO CA C 32 64.841 64.841 63.942 0.899 25694 2900 1 8 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.934 0.236 25694 2901 1 8 . 1 1 33 33 ASN N N 33 112.484 112.484 114.938 -2.454 25694 2902 1 8 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.715 -0.233 25694 2903 1 8 . 1 1 33 33 ASN C C 33 174.526 174.526 174.401 0.125 25694 2904 1 8 . 1 1 33 33 ASN CA C 33 54.945 54.945 54.006 0.939 25694 2905 1 8 . 1 1 33 33 ASN CB C 33 38.632 38.632 39.225 -0.593 25694 2906 1 8 . 1 1 33 33 ASN H H 33 8.470 8.470 8.231 0.239 25694 2907 1 8 . 1 1 34 34 CYS N N 34 116.720 116.720 116.342 0.378 25694 2908 1 8 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.737 0.190 25694 2909 1 8 . 1 1 34 34 CYS C C 34 173.762 173.762 173.541 0.221 25694 2910 1 8 . 1 1 34 34 CYS CA C 34 54.810 54.810 56.802 -1.992 25694 2911 1 8 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.841 14.259 25694 2912 1 8 . 1 1 34 34 CYS H H 34 7.663 7.663 7.769 -0.106 25694 2913 1 8 . 1 1 35 35 ALA N N 35 125.254 125.254 123.507 1.747 25694 2914 1 8 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.342 -0.045 25694 2915 1 8 . 1 1 35 35 ALA C C 35 176.882 176.882 176.626 0.256 25694 2916 1 8 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.986 0.427 25694 2917 1 8 . 1 1 35 35 ALA CB C 35 18.968 18.968 19.549 -0.581 25694 2918 1 8 . 1 1 35 35 ALA H H 35 8.449 8.449 8.448 0.001 25694 2919 1 8 . 1 1 36 36 LEU N N 36 122.078 122.078 121.969 0.109 25694 2920 1 8 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.697 -0.296 25694 2921 1 8 . 1 1 36 36 LEU C C 36 176.442 176.442 176.486 -0.044 25694 2922 1 8 . 1 1 36 36 LEU CA C 36 56.751 56.751 55.072 1.679 25694 2923 1 8 . 1 1 36 36 LEU CB C 36 42.465 42.465 42.479 -0.014 25694 2924 1 8 . 1 1 36 36 LEU H H 36 8.073 8.073 8.234 -0.161 25694 2925 1 8 . 1 1 37 37 GLN N N 37 121.790 121.790 124.817 -3.027 25694 2926 1 8 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.804 -0.056 25694 2927 1 8 . 1 1 37 37 GLN C C 37 173.804 173.804 174.800 -0.996 25694 2928 1 8 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.359 0.041 25694 2929 1 8 . 1 1 37 37 GLN CB C 37 32.463 32.463 32.651 -0.188 25694 2930 1 8 . 1 1 37 37 GLN H H 37 8.397 8.397 8.705 -0.308 25694 2931 1 8 . 1 1 38 38 ILE N N 38 123.702 123.702 123.140 0.562 25694 2932 1 8 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.505 0.240 25694 2933 1 8 . 1 1 38 38 ILE C C 38 174.808 174.808 174.609 0.199 25694 2934 1 8 . 1 1 38 38 ILE CA C 38 60.950 60.950 59.222 1.728 25694 2935 1 8 . 1 1 38 38 ILE CB C 38 39.600 39.600 37.852 1.748 25694 2936 1 8 . 1 1 38 38 ILE H H 38 9.213 9.213 9.011 0.202 25694 2937 1 8 . 1 1 39 39 VAL N N 39 125.930 125.930 128.519 -2.589 25694 2938 1 8 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.745 0.271 25694 2939 1 8 . 1 1 39 39 VAL C C 39 174.741 174.741 174.202 0.539 25694 2940 1 8 . 1 1 39 39 VAL CA C 39 60.950 60.950 60.857 0.093 25694 2941 1 8 . 1 1 39 39 VAL CB C 39 34.426 34.426 33.105 1.321 25694 2942 1 8 . 1 1 39 39 VAL H H 39 9.056 9.056 8.677 0.379 25694 2943 1 8 . 1 1 40 40 ALA N N 40 127.551 127.551 130.503 -2.952 25694 2944 1 8 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.329 0.003 25694 2945 1 8 . 1 1 40 40 ALA C C 40 175.948 175.948 175.517 0.431 25694 2946 1 8 . 1 1 40 40 ALA CA C 40 50.280 50.280 49.677 0.603 25694 2947 1 8 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.340 0.723 25694 2948 1 8 . 1 1 40 40 ALA H H 40 9.335 9.335 9.387 -0.052 25694 2949 1 8 . 1 1 41 41 ARG N N 41 118.658 118.658 120.223 -1.565 25694 2950 1 8 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.090 0.129 25694 2951 1 8 . 1 1 41 41 ARG C C 41 176.310 176.310 175.178 1.132 25694 2952 1 8 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.666 0.434 25694 2953 1 8 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.554 0.874 25694 2954 1 8 . 1 1 41 41 ARG H H 41 8.511 8.511 8.951 -0.440 25694 2955 1 8 . 1 1 42 42 LEU N N 42 125.307 125.307 125.794 -0.487 25694 2956 1 8 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.813 0.113 25694 2957 1 8 . 1 1 42 42 LEU C C 42 178.475 178.475 178.240 0.235 25694 2958 1 8 . 1 1 42 42 LEU CA C 42 54.329 54.329 54.893 -0.564 25694 2959 1 8 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.063 -0.566 25694 2960 1 8 . 1 1 42 42 LEU H H 42 9.038 9.038 8.893 0.145 25694 2961 1 8 . 1 1 43 43 LYS N N 43 120.597 120.597 125.071 -4.474 25694 2962 1 8 . 1 1 43 43 LYS HA H 43 3.833 3.833 4.018 -0.185 25694 2963 1 8 . 1 1 43 43 LYS C C 43 178.342 178.342 178.031 0.311 25694 2964 1 8 . 1 1 43 43 LYS CA C 43 59.340 59.340 60.214 -0.874 25694 2965 1 8 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.431 1.014 25694 2966 1 8 . 1 1 43 43 LYS H H 43 8.480 8.480 8.930 -0.450 25694 2967 1 8 . 1 1 44 44 ASN N N 44 114.812 114.812 115.412 -0.600 25694 2968 1 8 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.608 -0.132 25694 2969 1 8 . 1 1 44 44 ASN C C 44 176.032 176.032 176.557 -0.525 25694 2970 1 8 . 1 1 44 44 ASN CA C 44 55.780 55.780 54.955 0.825 25694 2971 1 8 . 1 1 44 44 ASN CB C 44 37.507 37.507 38.124 -0.617 25694 2972 1 8 . 1 1 44 44 ASN H H 44 8.725 8.725 8.162 0.563 25694 2973 1 8 . 1 1 45 45 ASN N N 45 115.093 115.093 117.769 -2.676 25694 2974 1 8 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.679 0.059 25694 2975 1 8 . 1 1 45 45 ASN C C 45 175.513 175.513 174.825 0.688 25694 2976 1 8 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.706 0.063 25694 2977 1 8 . 1 1 45 45 ASN CB C 45 39.211 39.211 39.212 -0.002 25694 2978 1 8 . 1 1 45 45 ASN H H 45 7.519 7.519 8.145 -0.626 25694 2979 1 8 . 1 1 46 46 ASN N N 46 116.121 116.121 113.315 2.806 25694 2980 1 8 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.463 0.206 25694 2981 1 8 . 1 1 46 46 ASN C C 46 174.816 174.816 173.349 1.467 25694 2982 1 8 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.822 -0.022 25694 2983 1 8 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.447 1.832 25694 2984 1 8 . 1 1 46 46 ASN H H 46 8.033 8.033 7.693 0.340 25694 2985 1 8 . 1 1 47 47 ARG N N 47 119.917 119.917 116.902 3.015 25694 2986 1 8 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.655 -0.402 25694 2987 1 8 . 1 1 47 47 ARG C C 47 175.845 175.845 174.811 1.034 25694 2988 1 8 . 1 1 47 47 ARG CA C 47 57.084 57.084 54.249 2.835 25694 2989 1 8 . 1 1 47 47 ARG CB C 47 31.785 31.785 32.902 -1.117 25694 2990 1 8 . 1 1 47 47 ARG H H 47 7.981 7.981 7.763 0.218 25694 2991 1 8 . 1 1 48 48 GLN N N 48 123.497 123.497 121.338 2.159 25694 2992 1 8 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.614 -0.372 25694 2993 1 8 . 1 1 48 48 GLN C C 48 175.629 175.629 175.551 0.078 25694 2994 1 8 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.629 0.151 25694 2995 1 8 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.056 1.134 25694 2996 1 8 . 1 1 48 48 GLN H H 48 8.737 8.737 8.502 0.235 25694 2997 1 8 . 1 1 49 49 VAL N N 49 119.819 119.819 121.510 -1.691 25694 2998 1 8 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.496 0.277 25694 2999 1 8 . 1 1 49 49 VAL C C 49 174.235 174.235 173.258 0.977 25694 3000 1 8 . 1 1 49 49 VAL CA C 49 59.266 59.266 59.981 -0.715 25694 3001 1 8 . 1 1 49 49 VAL CB C 49 36.000 36.000 35.976 0.024 25694 3002 1 8 . 1 1 49 49 VAL H H 49 9.150 9.150 8.822 0.328 25694 3003 1 8 . 1 1 50 50 CYS N N 50 120.721 120.721 122.108 -1.387 25694 3004 1 8 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.796 -0.143 25694 3005 1 8 . 1 1 50 50 CYS C C 50 174.078 174.078 175.330 -1.252 25694 3006 1 8 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.716 -1.288 25694 3007 1 8 . 1 1 50 50 CYS CB C 50 45.270 45.270 27.809 17.461 25694 3008 1 8 . 1 1 50 50 CYS H H 50 8.854 8.854 8.775 0.079 25694 3009 1 8 . 1 1 51 51 ILE N N 51 124.038 124.038 123.970 0.068 25694 3010 1 8 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.944 -0.434 25694 3011 1 8 . 1 1 51 51 ILE C C 51 174.775 174.775 175.538 -0.763 25694 3012 1 8 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.318 -1.018 25694 3013 1 8 . 1 1 51 51 ILE CB C 51 39.603 39.603 40.096 -0.493 25694 3014 1 8 . 1 1 51 51 ILE H H 51 8.934 8.934 8.712 0.222 25694 3015 1 8 . 1 1 52 52 ASP N N 52 127.393 127.393 122.354 5.039 25694 3016 1 8 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.584 -0.839 25694 3017 1 8 . 1 1 52 52 ASP CA C 52 51.890 51.890 52.185 -0.295 25694 3018 1 8 . 1 1 52 52 ASP CB C 52 43.162 43.162 41.258 1.904 25694 3019 1 8 . 1 1 52 52 ASP H H 52 8.098 8.098 8.177 -0.079 25694 3020 1 8 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.308 -0.223 25694 3021 1 8 . 1 1 53 53 PRO C C 53 176.500 176.500 175.835 0.665 25694 3022 1 8 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.327 1.183 25694 3023 1 8 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.125 1.147 25694 3024 1 8 . 1 1 54 54 LYS N N 54 116.899 116.899 117.422 -0.523 25694 3025 1 8 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.403 -0.198 25694 3026 1 8 . 1 1 54 54 LYS C C 54 176.791 176.791 176.891 -0.100 25694 3027 1 8 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.618 0.082 25694 3028 1 8 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.362 -1.562 25694 3029 1 8 . 1 1 54 54 LYS H H 54 8.129 8.129 7.628 0.501 25694 3030 1 8 . 1 1 55 55 CYS N N 55 119.988 119.988 119.202 0.786 25694 3031 1 8 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.475 -0.078 25694 3032 1 8 . 1 1 55 55 CYS CA C 55 57.075 57.075 57.231 -0.156 25694 3033 1 8 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.692 12.852 25694 3034 1 8 . 1 1 55 55 CYS H H 55 7.989 7.989 7.459 0.530 25694 3035 1 8 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.064 0.063 25694 3036 1 8 . 1 1 56 56 LYS C C 56 178.326 178.326 178.150 0.176 25694 3037 1 8 . 1 1 56 56 LYS CA C 56 60.600 60.600 59.311 1.289 25694 3038 1 8 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.720 0.080 25694 3039 1 8 . 1 1 57 57 TRP N N 57 114.860 114.860 116.428 -1.568 25694 3040 1 8 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.735 0.170 25694 3041 1 8 . 1 1 57 57 TRP C C 57 177.803 177.803 177.676 0.127 25694 3042 1 8 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.723 -1.483 25694 3043 1 8 . 1 1 57 57 TRP CB C 57 28.925 28.925 27.788 1.137 25694 3044 1 8 . 1 1 57 57 TRP H H 57 7.274 7.274 7.883 -0.609 25694 3045 1 8 . 1 1 58 58 CYS N N 58 121.960 121.960 116.958 5.002 25694 3046 1 8 . 1 1 58 58 CYS HA H 58 3.917 3.917 3.598 0.319 25694 3047 1 8 . 1 1 58 58 CYS C C 58 175.480 175.480 177.267 -1.787 25694 3048 1 8 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.052 4.783 25694 3049 1 8 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.109 11.258 25694 3050 1 8 . 1 1 58 58 CYS H H 58 7.780 7.780 7.083 0.697 25694 3051 1 8 . 1 1 59 59 GLN N N 59 119.203 119.203 121.364 -2.161 25694 3052 1 8 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.896 0.051 25694 3053 1 8 . 1 1 59 59 GLN C C 59 178.152 178.152 178.202 -0.050 25694 3054 1 8 . 1 1 59 59 GLN CA C 59 59.663 59.663 59.507 0.156 25694 3055 1 8 . 1 1 59 59 GLN CB C 59 27.972 27.972 28.119 -0.147 25694 3056 1 8 . 1 1 59 59 GLN H H 59 8.073 8.073 8.293 -0.220 25694 3057 1 8 . 1 1 60 60 GLU N N 60 118.831 118.831 118.449 0.382 25694 3058 1 8 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.129 -0.008 25694 3059 1 8 . 1 1 60 60 GLU C C 60 178.367 178.367 179.024 -0.657 25694 3060 1 8 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.937 0.403 25694 3061 1 8 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.473 0.423 25694 3062 1 8 . 1 1 60 60 GLU H H 60 8.085 8.085 8.081 0.004 25694 3063 1 8 . 1 1 61 61 TYR N N 61 118.802 118.802 121.481 -2.679 25694 3064 1 8 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.261 0.069 25694 3065 1 8 . 1 1 61 61 TYR C C 61 177.629 177.629 177.041 0.588 25694 3066 1 8 . 1 1 61 61 TYR CA C 61 61.281 61.281 60.679 0.602 25694 3067 1 8 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.331 0.625 25694 3068 1 8 . 1 1 61 61 TYR H H 61 7.666 7.666 8.065 -0.399 25694 3069 1 8 . 1 1 62 62 LEU N N 62 119.351 119.351 119.937 -0.586 25694 3070 1 8 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.685 0.182 25694 3071 1 8 . 1 1 62 62 LEU C C 62 178.724 178.724 179.168 -0.444 25694 3072 1 8 . 1 1 62 62 LEU CA C 62 57.619 57.619 58.041 -0.422 25694 3073 1 8 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.434 0.756 25694 3074 1 8 . 1 1 62 62 LEU H H 62 8.275 8.275 8.508 -0.233 25694 3075 1 8 . 1 1 63 63 GLU N N 63 118.049 118.049 118.573 -0.524 25694 3076 1 8 . 1 1 63 63 GLU HA H 63 3.997 3.997 3.977 0.020 25694 3077 1 8 . 1 1 63 63 GLU C C 63 178.649 178.649 179.248 -0.599 25694 3078 1 8 . 1 1 63 63 GLU CA C 63 59.143 59.143 59.198 -0.055 25694 3079 1 8 . 1 1 63 63 GLU CB C 63 29.896 29.896 28.992 0.904 25694 3080 1 8 . 1 1 63 63 GLU H H 63 8.066 8.066 7.715 0.351 25694 3081 1 8 . 1 1 64 64 LYS N N 64 117.297 117.297 118.014 -0.717 25694 3082 1 8 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.144 0.084 25694 3083 1 8 . 1 1 64 64 LYS C C 64 178.085 178.085 179.046 -0.961 25694 3084 1 8 . 1 1 64 64 LYS CA C 64 57.820 57.820 58.229 -0.409 25694 3085 1 8 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.112 0.695 25694 3086 1 8 . 1 1 64 64 LYS H H 64 7.572 7.572 7.523 0.049 25694 3087 1 8 . 1 1 65 65 ALA N N 65 121.570 121.570 122.384 -0.814 25694 3088 1 8 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.188 -0.014 25694 3089 1 8 . 1 1 65 65 ALA C C 65 178.707 178.707 179.527 -0.820 25694 3090 1 8 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.158 -0.358 25694 3091 1 8 . 1 1 65 65 ALA CB C 65 19.534 19.534 17.929 1.605 25694 3092 1 8 . 1 1 65 65 ALA H H 65 7.964 7.964 7.690 0.274 25694 3093 1 8 . 1 1 66 66 LEU N N 66 117.399 117.399 117.871 -0.472 25694 3094 1 8 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.967 0.358 25694 3095 1 8 . 1 1 66 66 LEU C C 66 177.264 177.264 177.331 -0.067 25694 3096 1 8 . 1 1 66 66 LEU CA C 66 55.457 55.457 57.040 -1.583 25694 3097 1 8 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.944 0.556 25694 3098 1 8 . 1 1 66 66 LEU H H 66 7.888 7.888 8.063 -0.175 25694 3099 1 8 . 1 1 67 67 ASN N N 67 118.846 118.846 116.998 1.848 25694 3100 1 8 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.798 -0.028 25694 3101 1 8 . 1 1 67 67 ASN C C 67 174.094 174.094 174.241 -0.147 25694 3102 1 8 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.654 0.780 25694 3103 1 8 . 1 1 67 67 ASN CB C 67 39.279 39.279 38.753 0.526 25694 3104 1 8 . 1 1 67 67 ASN H H 67 7.959 7.959 7.612 0.347 25694 3105 1 9 . 1 1 0 0 MET HA H 0 4.501 4.501 5.130 -0.629 25694 3106 1 9 . 1 1 0 0 MET C C 0 176.102 176.102 173.780 2.322 25694 3107 1 9 . 1 1 0 0 MET CA C 0 55.781 55.781 54.415 1.366 25694 3108 1 9 . 1 1 0 0 MET CB C 0 33.455 33.455 34.323 -0.868 25694 3109 1 9 . 1 1 1 1 LYS N N 1 124.708 124.708 121.733 2.975 25694 3110 1 9 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.730 -0.092 25694 3111 1 9 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.826 -0.340 25694 3112 1 9 . 1 1 1 1 LYS CB C 1 32.808 32.808 33.127 -0.319 25694 3113 1 9 . 1 1 1 1 LYS H H 1 8.503 8.503 8.340 0.163 25694 3114 1 9 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.334 0.150 25694 3115 1 9 . 1 1 2 2 PRO C C 2 177.031 177.031 176.296 0.735 25694 3116 1 9 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.488 0.712 25694 3117 1 9 . 1 1 2 2 PRO CB C 2 32.161 32.161 32.428 -0.267 25694 3118 1 9 . 1 1 3 3 VAL N N 3 120.641 120.641 121.535 -0.894 25694 3119 1 9 . 1 1 3 3 VAL HA H 3 4.119 4.119 3.911 0.208 25694 3120 1 9 . 1 1 3 3 VAL C C 3 176.393 176.393 175.246 1.147 25694 3121 1 9 . 1 1 3 3 VAL CA C 3 62.495 62.495 63.779 -1.284 25694 3122 1 9 . 1 1 3 3 VAL CB C 3 33.100 33.100 31.876 1.224 25694 3123 1 9 . 1 1 3 3 VAL H H 3 8.290 8.290 8.355 -0.065 25694 3124 1 9 . 1 1 4 4 SER N N 4 119.097 119.097 121.440 -2.343 25694 3125 1 9 . 1 1 4 4 SER HA H 4 4.470 4.470 4.708 -0.238 25694 3126 1 9 . 1 1 4 4 SER C C 4 174.617 174.617 173.354 1.263 25694 3127 1 9 . 1 1 4 4 SER CA C 4 58.369 58.369 57.678 0.691 25694 3128 1 9 . 1 1 4 4 SER CB C 4 64.187 64.187 65.293 -1.106 25694 3129 1 9 . 1 1 4 4 SER H H 4 8.349 8.349 8.572 -0.223 25694 3130 1 9 . 1 1 5 5 LEU N N 5 124.723 124.723 118.757 5.966 25694 3131 1 9 . 1 1 5 5 LEU HA H 5 4.380 4.380 5.027 -0.647 25694 3132 1 9 . 1 1 5 5 LEU C C 5 177.355 177.355 176.763 0.592 25694 3133 1 9 . 1 1 5 5 LEU CA C 5 55.388 55.388 55.222 0.166 25694 3134 1 9 . 1 1 5 5 LEU CB C 5 42.515 42.515 41.778 0.737 25694 3135 1 9 . 1 1 5 5 LEU H H 5 8.339 8.339 8.640 -0.301 25694 3136 1 9 . 1 1 6 6 SER N N 6 115.926 115.926 116.824 -0.898 25694 3137 1 9 . 1 1 6 6 SER HA H 6 4.414 4.414 4.544 -0.130 25694 3138 1 9 . 1 1 6 6 SER C C 6 174.235 174.235 174.508 -0.273 25694 3139 1 9 . 1 1 6 6 SER CA C 6 58.369 58.369 58.686 -0.317 25694 3140 1 9 . 1 1 6 6 SER CB C 6 64.187 64.187 62.732 1.455 25694 3141 1 9 . 1 1 6 6 SER H H 6 8.199 8.199 8.592 -0.393 25694 3142 1 9 . 1 1 7 7 TYR N N 7 122.124 122.124 119.085 3.039 25694 3143 1 9 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.737 -0.161 25694 3144 1 9 . 1 1 7 7 TYR C C 7 175.530 175.530 175.020 0.510 25694 3145 1 9 . 1 1 7 7 TYR CA C 7 58.008 58.008 55.716 2.292 25694 3146 1 9 . 1 1 7 7 TYR CB C 7 38.969 38.969 37.969 1.000 25694 3147 1 9 . 1 1 7 7 TYR H H 7 8.049 8.049 7.959 0.090 25694 3148 1 9 . 1 1 8 8 ARG N N 8 121.947 121.947 117.313 4.634 25694 3149 1 9 . 1 1 8 8 ARG HA H 8 4.326 4.326 3.923 0.403 25694 3150 1 9 . 1 1 8 8 ARG C C 8 175.845 175.845 174.438 1.407 25694 3151 1 9 . 1 1 8 8 ARG CA C 8 56.104 56.104 56.320 -0.216 25694 3152 1 9 . 1 1 8 8 ARG CB C 8 31.100 31.100 29.060 2.040 25694 3153 1 9 . 1 1 8 8 ARG H H 8 8.177 8.177 7.388 0.789 25694 3154 1 9 . 1 1 9 9 CYS N N 9 120.943 120.943 119.669 1.274 25694 3155 1 9 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.413 0.541 25694 3156 1 9 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.809 -3.682 25694 3157 1 9 . 1 1 9 9 CYS CB C 9 40.218 40.218 26.318 13.900 25694 3158 1 9 . 1 1 9 9 CYS H H 9 8.173 8.173 8.166 0.007 25694 3159 1 9 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.352 0.000 25694 3160 1 9 . 1 1 10 10 PRO C C 10 177.347 177.347 176.009 1.338 25694 3161 1 9 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.365 1.494 25694 3162 1 9 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.179 0.329 25694 3163 1 9 . 1 1 11 11 CYS N N 11 114.096 114.096 120.035 -5.939 25694 3164 1 9 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.547 0.178 25694 3165 1 9 . 1 1 11 11 CYS CA C 11 53.429 53.429 58.175 -4.746 25694 3166 1 9 . 1 1 11 11 CYS CB C 11 39.279 39.279 26.803 12.476 25694 3167 1 9 . 1 1 11 11 CYS H H 11 8.232 8.232 7.737 0.495 25694 3168 1 9 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.097 -0.028 25694 3169 1 9 . 1 1 12 12 ARG C C 12 175.106 175.106 175.661 -0.555 25694 3170 1 9 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.488 0.512 25694 3171 1 9 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.995 0.505 25694 3172 1 9 . 1 1 13 13 PHE N N 13 116.259 116.259 117.883 -1.624 25694 3173 1 9 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.214 0.416 25694 3174 1 9 . 1 1 13 13 PHE C C 13 174.227 174.227 174.519 -0.292 25694 3175 1 9 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.691 -0.720 25694 3176 1 9 . 1 1 13 13 PHE CB C 13 41.059 41.059 40.802 0.257 25694 3177 1 9 . 1 1 13 13 PHE H H 13 7.572 7.572 7.825 -0.253 25694 3178 1 9 . 1 1 14 14 PHE N N 14 119.623 119.623 120.469 -0.846 25694 3179 1 9 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.635 0.301 25694 3180 1 9 . 1 1 14 14 PHE C C 14 175.496 175.496 174.934 0.562 25694 3181 1 9 . 1 1 14 14 PHE CA C 14 56.147 56.147 55.740 0.407 25694 3182 1 9 . 1 1 14 14 PHE CB C 14 41.544 41.544 40.800 0.744 25694 3183 1 9 . 1 1 14 14 PHE H H 14 8.450 8.450 8.302 0.148 25694 3184 1 9 . 1 1 15 15 GLU N N 15 122.147 122.147 121.861 0.286 25694 3185 1 9 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.384 0.251 25694 3186 1 9 . 1 1 15 15 GLU C C 15 176.990 176.990 176.734 0.256 25694 3187 1 9 . 1 1 15 15 GLU CA C 15 55.780 55.780 55.231 0.549 25694 3188 1 9 . 1 1 15 15 GLU CB C 15 31.109 31.109 31.467 -0.358 25694 3189 1 9 . 1 1 15 15 GLU H H 15 8.956 8.956 8.902 0.054 25694 3190 1 9 . 1 1 16 16 SER N N 16 119.943 119.943 118.321 1.622 25694 3191 1 9 . 1 1 16 16 SER HA H 16 4.598 4.598 4.429 0.169 25694 3192 1 9 . 1 1 16 16 SER C C 16 174.385 174.385 174.446 -0.061 25694 3193 1 9 . 1 1 16 16 SER CA C 16 59.799 59.799 59.880 -0.081 25694 3194 1 9 . 1 1 16 16 SER CB C 16 64.517 64.517 63.880 0.637 25694 3195 1 9 . 1 1 16 16 SER H H 16 8.943 8.943 8.586 0.357 25694 3196 1 9 . 1 1 17 17 HIS N N 17 119.124 119.124 118.663 0.461 25694 3197 1 9 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.917 -0.217 25694 3198 1 9 . 1 1 17 17 HIS C C 17 174.567 174.567 173.831 0.736 25694 3199 1 9 . 1 1 17 17 HIS CA C 17 56.751 56.751 54.044 2.707 25694 3200 1 9 . 1 1 17 17 HIS CB C 17 29.896 29.896 28.310 1.586 25694 3201 1 9 . 1 1 17 17 HIS H H 17 8.649 8.649 7.900 0.749 25694 3202 1 9 . 1 1 18 18 VAL N N 18 121.960 121.960 123.194 -1.234 25694 3203 1 9 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.330 -0.173 25694 3204 1 9 . 1 1 18 18 VAL C C 18 175.140 175.140 174.690 0.450 25694 3205 1 9 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.402 0.526 25694 3206 1 9 . 1 1 18 18 VAL CB C 18 33.700 33.700 34.163 -0.463 25694 3207 1 9 . 1 1 18 18 VAL H H 18 7.876 7.876 8.199 -0.323 25694 3208 1 9 . 1 1 19 19 ALA N N 19 132.226 132.226 129.230 2.996 25694 3209 1 9 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.962 -0.447 25694 3210 1 9 . 1 1 19 19 ALA C C 19 178.060 178.060 177.199 0.861 25694 3211 1 9 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.190 1.310 25694 3212 1 9 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.951 -2.067 25694 3213 1 9 . 1 1 19 19 ALA H H 19 8.843 8.843 9.212 -0.369 25694 3214 1 9 . 1 1 20 20 ARG N N 20 125.791 125.791 124.452 1.339 25694 3215 1 9 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.337 -0.500 25694 3216 1 9 . 1 1 20 20 ARG C C 20 178.459 178.459 177.382 1.077 25694 3217 1 9 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.711 -0.072 25694 3218 1 9 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.556 -0.631 25694 3219 1 9 . 1 1 20 20 ARG H H 20 8.196 8.196 8.365 -0.169 25694 3220 1 9 . 1 1 21 21 ALA N N 21 117.396 117.396 119.511 -2.115 25694 3221 1 9 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.044 0.038 25694 3222 1 9 . 1 1 21 21 ALA C C 21 177.745 177.745 177.534 0.211 25694 3223 1 9 . 1 1 21 21 ALA CA C 21 53.809 53.809 54.189 -0.380 25694 3224 1 9 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.456 0.428 25694 3225 1 9 . 1 1 21 21 ALA H H 21 8.309 8.309 8.319 -0.010 25694 3226 1 9 . 1 1 22 22 ASN N N 22 113.201 113.201 112.404 0.797 25694 3227 1 9 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.783 0.191 25694 3228 1 9 . 1 1 22 22 ASN C C 22 174.999 174.999 174.391 0.608 25694 3229 1 9 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.952 -0.361 25694 3230 1 9 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.885 0.015 25694 3231 1 9 . 1 1 22 22 ASN H H 22 7.796 7.796 8.065 -0.269 25694 3232 1 9 . 1 1 23 23 VAL N N 23 117.829 117.829 114.478 3.351 25694 3233 1 9 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.822 -0.334 25694 3234 1 9 . 1 1 23 23 VAL C C 23 174.393 174.393 174.825 -0.432 25694 3235 1 9 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.208 2.042 25694 3236 1 9 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.574 -0.874 25694 3237 1 9 . 1 1 23 23 VAL H H 23 7.477 7.477 7.366 0.111 25694 3238 1 9 . 1 1 24 24 LYS N N 24 123.962 123.962 123.093 0.869 25694 3239 1 9 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.394 0.086 25694 3240 1 9 . 1 1 24 24 LYS C C 24 175.090 175.090 176.429 -1.339 25694 3241 1 9 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.627 -0.523 25694 3242 1 9 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.463 1.933 25694 3243 1 9 . 1 1 24 24 LYS H H 24 9.276 9.276 8.550 0.726 25694 3244 1 9 . 1 1 25 25 HIS N N 25 115.921 115.921 118.918 -2.997 25694 3245 1 9 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.743 -0.040 25694 3246 1 9 . 1 1 25 25 HIS C C 25 173.364 173.364 172.344 1.020 25694 3247 1 9 . 1 1 25 25 HIS CA C 25 55.781 55.781 55.679 0.102 25694 3248 1 9 . 1 1 25 25 HIS CB C 25 32.161 32.161 33.093 -0.932 25694 3249 1 9 . 1 1 25 25 HIS H H 25 7.964 7.964 7.636 0.328 25694 3250 1 9 . 1 1 26 26 LEU N N 26 122.215 122.215 125.525 -3.310 25694 3251 1 9 . 1 1 26 26 LEU HA H 26 4.968 4.968 4.786 0.182 25694 3252 1 9 . 1 1 26 26 LEU C C 26 175.720 175.720 174.735 0.985 25694 3253 1 9 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.276 2.181 25694 3254 1 9 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.433 0.161 25694 3255 1 9 . 1 1 26 26 LEU H H 26 8.076 8.076 8.446 -0.370 25694 3256 1 9 . 1 1 27 27 LYS N N 27 122.738 122.738 124.498 -1.760 25694 3257 1 9 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.682 0.087 25694 3258 1 9 . 1 1 27 27 LYS C C 27 173.953 173.953 174.380 -0.427 25694 3259 1 9 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.120 1.010 25694 3260 1 9 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.703 0.597 25694 3261 1 9 . 1 1 27 27 LYS H H 27 9.113 9.113 8.912 0.201 25694 3262 1 9 . 1 1 28 28 ILE N N 28 122.212 122.212 124.219 -2.007 25694 3263 1 9 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.720 0.056 25694 3264 1 9 . 1 1 28 28 ILE C C 28 175.895 175.895 174.775 1.120 25694 3265 1 9 . 1 1 28 28 ILE CA C 28 60.200 60.200 60.051 0.149 25694 3266 1 9 . 1 1 28 28 ILE CB C 28 39.200 39.200 40.079 -0.879 25694 3267 1 9 . 1 1 28 28 ILE H H 28 8.535 8.535 8.597 -0.062 25694 3268 1 9 . 1 1 29 29 LEU N N 29 128.977 128.977 131.575 -2.598 25694 3269 1 9 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.719 -0.004 25694 3270 1 9 . 1 1 29 29 LEU C C 29 175.438 175.438 174.106 1.332 25694 3271 1 9 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.651 0.449 25694 3272 1 9 . 1 1 29 29 LEU CB C 29 44.132 44.132 42.122 2.010 25694 3273 1 9 . 1 1 29 29 LEU H H 29 9.137 9.137 9.096 0.041 25694 3274 1 9 . 1 1 30 30 ASN N N 30 124.331 124.331 125.095 -0.764 25694 3275 1 9 . 1 1 30 30 ASN HA H 30 5.145 5.145 5.017 0.128 25694 3276 1 9 . 1 1 30 30 ASN C C 30 174.335 174.335 174.165 0.170 25694 3277 1 9 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.790 0.623 25694 3278 1 9 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.976 0.624 25694 3279 1 9 . 1 1 30 30 ASN H H 30 8.824 8.824 8.347 0.477 25694 3280 1 9 . 1 1 31 31 THR N N 31 118.685 118.685 116.763 1.922 25694 3281 1 9 . 1 1 31 31 THR HA H 31 4.796 4.796 4.939 -0.143 25694 3282 1 9 . 1 1 31 31 THR CA C 31 59.600 59.600 58.072 1.528 25694 3283 1 9 . 1 1 31 31 THR CB C 31 70.459 70.459 69.634 0.825 25694 3284 1 9 . 1 1 31 31 THR H H 31 8.456 8.456 7.858 0.598 25694 3285 1 9 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.257 0.033 25694 3286 1 9 . 1 1 32 32 PRO C C 32 177.197 177.197 177.019 0.178 25694 3287 1 9 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.728 0.113 25694 3288 1 9 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.960 0.210 25694 3289 1 9 . 1 1 33 33 ASN N N 33 112.484 112.484 114.678 -2.194 25694 3290 1 9 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.682 -0.200 25694 3291 1 9 . 1 1 33 33 ASN C C 33 174.526 174.526 174.833 -0.307 25694 3292 1 9 . 1 1 33 33 ASN CA C 33 54.945 54.945 53.020 1.925 25694 3293 1 9 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.585 0.047 25694 3294 1 9 . 1 1 33 33 ASN H H 33 8.470 8.470 8.417 0.053 25694 3295 1 9 . 1 1 34 34 CYS N N 34 116.720 116.720 116.686 0.034 25694 3296 1 9 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.631 0.296 25694 3297 1 9 . 1 1 34 34 CYS C C 34 173.762 173.762 172.572 1.190 25694 3298 1 9 . 1 1 34 34 CYS CA C 34 54.810 54.810 57.265 -2.455 25694 3299 1 9 . 1 1 34 34 CYS CB C 34 44.100 44.100 30.384 13.716 25694 3300 1 9 . 1 1 34 34 CYS H H 34 7.663 7.663 7.672 -0.009 25694 3301 1 9 . 1 1 35 35 ALA N N 35 125.254 125.254 122.744 2.510 25694 3302 1 9 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.481 -0.184 25694 3303 1 9 . 1 1 35 35 ALA C C 35 176.882 176.882 176.725 0.157 25694 3304 1 9 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.288 1.125 25694 3305 1 9 . 1 1 35 35 ALA CB C 35 18.968 18.968 19.974 -1.006 25694 3306 1 9 . 1 1 35 35 ALA H H 35 8.449 8.449 8.291 0.158 25694 3307 1 9 . 1 1 36 36 LEU N N 36 122.078 122.078 121.857 0.221 25694 3308 1 9 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.551 -0.150 25694 3309 1 9 . 1 1 36 36 LEU C C 36 176.442 176.442 176.353 0.089 25694 3310 1 9 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.956 1.795 25694 3311 1 9 . 1 1 36 36 LEU CB C 36 42.465 42.465 41.478 0.987 25694 3312 1 9 . 1 1 36 36 LEU H H 36 8.073 8.073 8.231 -0.158 25694 3313 1 9 . 1 1 37 37 GLN N N 37 121.790 121.790 124.604 -2.814 25694 3314 1 9 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.675 0.073 25694 3315 1 9 . 1 1 37 37 GLN C C 37 173.804 173.804 174.392 -0.588 25694 3316 1 9 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.777 -0.377 25694 3317 1 9 . 1 1 37 37 GLN CB C 37 32.463 32.463 32.576 -0.113 25694 3318 1 9 . 1 1 37 37 GLN H H 37 8.397 8.397 8.959 -0.562 25694 3319 1 9 . 1 1 38 38 ILE N N 38 123.702 123.702 122.007 1.695 25694 3320 1 9 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.603 0.142 25694 3321 1 9 . 1 1 38 38 ILE C C 38 174.808 174.808 174.680 0.128 25694 3322 1 9 . 1 1 38 38 ILE CA C 38 60.950 60.950 58.994 1.956 25694 3323 1 9 . 1 1 38 38 ILE CB C 38 39.600 39.600 38.816 0.784 25694 3324 1 9 . 1 1 38 38 ILE H H 38 9.213 9.213 8.892 0.321 25694 3325 1 9 . 1 1 39 39 VAL N N 39 125.930 125.930 127.371 -1.441 25694 3326 1 9 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.860 0.156 25694 3327 1 9 . 1 1 39 39 VAL C C 39 174.741 174.741 173.887 0.854 25694 3328 1 9 . 1 1 39 39 VAL CA C 39 60.950 60.950 60.763 0.187 25694 3329 1 9 . 1 1 39 39 VAL CB C 39 34.426 34.426 34.189 0.237 25694 3330 1 9 . 1 1 39 39 VAL H H 39 9.056 9.056 9.066 -0.010 25694 3331 1 9 . 1 1 40 40 ALA N N 40 127.551 127.551 130.029 -2.478 25694 3332 1 9 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.132 0.200 25694 3333 1 9 . 1 1 40 40 ALA C C 40 175.948 175.948 175.280 0.668 25694 3334 1 9 . 1 1 40 40 ALA CA C 40 50.280 50.280 49.916 0.364 25694 3335 1 9 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.418 0.645 25694 3336 1 9 . 1 1 40 40 ALA H H 40 9.335 9.335 9.396 -0.061 25694 3337 1 9 . 1 1 41 41 ARG N N 41 118.658 118.658 120.442 -1.784 25694 3338 1 9 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.030 0.189 25694 3339 1 9 . 1 1 41 41 ARG C C 41 176.310 176.310 175.779 0.531 25694 3340 1 9 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.532 0.567 25694 3341 1 9 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.819 0.609 25694 3342 1 9 . 1 1 41 41 ARG H H 41 8.511 8.511 8.893 -0.382 25694 3343 1 9 . 1 1 42 42 LEU N N 42 125.307 125.307 124.786 0.521 25694 3344 1 9 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.706 0.220 25694 3345 1 9 . 1 1 42 42 LEU C C 42 178.475 178.475 178.249 0.226 25694 3346 1 9 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.331 -1.002 25694 3347 1 9 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.233 -0.735 25694 3348 1 9 . 1 1 42 42 LEU H H 42 9.038 9.038 8.710 0.328 25694 3349 1 9 . 1 1 43 43 LYS N N 43 120.597 120.597 121.551 -0.954 25694 3350 1 9 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.948 -0.115 25694 3351 1 9 . 1 1 43 43 LYS C C 43 178.342 178.342 178.641 -0.299 25694 3352 1 9 . 1 1 43 43 LYS CA C 43 59.340 59.340 60.492 -1.152 25694 3353 1 9 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.297 1.148 25694 3354 1 9 . 1 1 43 43 LYS H H 43 8.480 8.480 8.174 0.306 25694 3355 1 9 . 1 1 44 44 ASN N N 44 114.812 114.812 116.332 -1.520 25694 3356 1 9 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.567 -0.091 25694 3357 1 9 . 1 1 44 44 ASN C C 44 176.032 176.032 176.451 -0.419 25694 3358 1 9 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.550 0.230 25694 3359 1 9 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.817 -0.310 25694 3360 1 9 . 1 1 44 44 ASN H H 44 8.725 8.725 8.362 0.363 25694 3361 1 9 . 1 1 45 45 ASN N N 45 115.093 115.093 118.881 -3.788 25694 3362 1 9 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.520 0.218 25694 3363 1 9 . 1 1 45 45 ASN C C 45 175.513 175.513 175.150 0.363 25694 3364 1 9 . 1 1 45 45 ASN CA C 45 52.769 52.769 53.630 -0.861 25694 3365 1 9 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.273 0.938 25694 3366 1 9 . 1 1 45 45 ASN H H 45 7.519 7.519 8.222 -0.703 25694 3367 1 9 . 1 1 46 46 ASN N N 46 116.121 116.121 112.369 3.752 25694 3368 1 9 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.604 0.065 25694 3369 1 9 . 1 1 46 46 ASN C C 46 174.816 174.816 173.529 1.287 25694 3370 1 9 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.475 0.325 25694 3371 1 9 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.207 2.072 25694 3372 1 9 . 1 1 46 46 ASN H H 46 8.033 8.033 8.483 -0.450 25694 3373 1 9 . 1 1 47 47 ARG N N 47 119.917 119.917 118.665 1.252 25694 3374 1 9 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.381 -0.128 25694 3375 1 9 . 1 1 47 47 ARG C C 47 175.845 175.845 175.385 0.460 25694 3376 1 9 . 1 1 47 47 ARG CA C 47 57.084 57.084 56.197 0.887 25694 3377 1 9 . 1 1 47 47 ARG CB C 47 31.785 31.785 30.932 0.853 25694 3378 1 9 . 1 1 47 47 ARG H H 47 7.981 7.981 7.284 0.697 25694 3379 1 9 . 1 1 48 48 GLN N N 48 123.497 123.497 125.215 -1.718 25694 3380 1 9 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.387 -0.145 25694 3381 1 9 . 1 1 48 48 GLN C C 48 175.629 175.629 174.698 0.931 25694 3382 1 9 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.303 0.477 25694 3383 1 9 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.230 0.960 25694 3384 1 9 . 1 1 48 48 GLN H H 48 8.737 8.737 8.556 0.181 25694 3385 1 9 . 1 1 49 49 VAL N N 49 119.819 119.819 125.439 -5.620 25694 3386 1 9 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.539 0.234 25694 3387 1 9 . 1 1 49 49 VAL C C 49 174.235 174.235 173.271 0.964 25694 3388 1 9 . 1 1 49 49 VAL CA C 49 59.266 59.266 59.646 -0.380 25694 3389 1 9 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.640 -0.640 25694 3390 1 9 . 1 1 49 49 VAL H H 49 9.150 9.150 9.082 0.068 25694 3391 1 9 . 1 1 50 50 CYS N N 50 120.721 120.721 122.233 -1.512 25694 3392 1 9 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.697 -0.044 25694 3393 1 9 . 1 1 50 50 CYS C C 50 174.078 174.078 175.677 -1.599 25694 3394 1 9 . 1 1 50 50 CYS CA C 50 56.428 56.428 58.148 -1.720 25694 3395 1 9 . 1 1 50 50 CYS CB C 50 45.270 45.270 28.381 16.889 25694 3396 1 9 . 1 1 50 50 CYS H H 50 8.854 8.854 8.864 -0.010 25694 3397 1 9 . 1 1 51 51 ILE N N 51 124.038 124.038 123.143 0.895 25694 3398 1 9 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.426 0.084 25694 3399 1 9 . 1 1 51 51 ILE C C 51 174.775 174.775 174.654 0.121 25694 3400 1 9 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.300 -1.000 25694 3401 1 9 . 1 1 51 51 ILE CB C 51 39.603 39.603 40.614 -1.011 25694 3402 1 9 . 1 1 51 51 ILE H H 51 8.934 8.934 8.350 0.584 25694 3403 1 9 . 1 1 52 52 ASP N N 52 127.393 127.393 123.498 3.895 25694 3404 1 9 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.285 -0.540 25694 3405 1 9 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.291 0.599 25694 3406 1 9 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.881 0.281 25694 3407 1 9 . 1 1 52 52 ASP H H 52 8.098 8.098 7.971 0.127 25694 3408 1 9 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.189 -0.104 25694 3409 1 9 . 1 1 53 53 PRO C C 53 176.500 176.500 176.101 0.399 25694 3410 1 9 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.641 0.869 25694 3411 1 9 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.505 0.767 25694 3412 1 9 . 1 1 54 54 LYS N N 54 116.899 116.899 116.884 0.015 25694 3413 1 9 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.375 -0.170 25694 3414 1 9 . 1 1 54 54 LYS C C 54 176.791 176.791 177.079 -0.288 25694 3415 1 9 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.726 -0.026 25694 3416 1 9 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.572 -1.772 25694 3417 1 9 . 1 1 54 54 LYS H H 54 8.129 8.129 8.274 -0.145 25694 3418 1 9 . 1 1 55 55 CYS N N 55 119.988 119.988 118.333 1.655 25694 3419 1 9 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.513 -0.116 25694 3420 1 9 . 1 1 55 55 CYS CA C 55 57.075 57.075 57.139 -0.064 25694 3421 1 9 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.600 12.944 25694 3422 1 9 . 1 1 55 55 CYS H H 55 7.989 7.989 7.382 0.607 25694 3423 1 9 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.162 -0.035 25694 3424 1 9 . 1 1 56 56 LYS C C 56 178.326 178.326 178.299 0.027 25694 3425 1 9 . 1 1 56 56 LYS CA C 56 60.600 60.600 58.896 1.704 25694 3426 1 9 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.907 -0.107 25694 3427 1 9 . 1 1 57 57 TRP N N 57 114.860 114.860 116.655 -1.795 25694 3428 1 9 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.750 0.155 25694 3429 1 9 . 1 1 57 57 TRP C C 57 177.803 177.803 177.451 0.352 25694 3430 1 9 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.575 -1.335 25694 3431 1 9 . 1 1 57 57 TRP CB C 57 28.925 28.925 27.683 1.242 25694 3432 1 9 . 1 1 57 57 TRP H H 57 7.274 7.274 7.832 -0.558 25694 3433 1 9 . 1 1 58 58 CYS N N 58 121.960 121.960 117.723 4.237 25694 3434 1 9 . 1 1 58 58 CYS HA H 58 3.917 3.917 4.292 -0.375 25694 3435 1 9 . 1 1 58 58 CYS C C 58 175.480 175.480 177.273 -1.793 25694 3436 1 9 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.445 4.390 25694 3437 1 9 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.845 10.522 25694 3438 1 9 . 1 1 58 58 CYS H H 58 7.780 7.780 7.461 0.319 25694 3439 1 9 . 1 1 59 59 GLN N N 59 119.203 119.203 120.257 -1.054 25694 3440 1 9 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.904 0.043 25694 3441 1 9 . 1 1 59 59 GLN C C 59 178.152 178.152 178.753 -0.601 25694 3442 1 9 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.960 0.703 25694 3443 1 9 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.911 0.061 25694 3444 1 9 . 1 1 59 59 GLN H H 59 8.073 8.073 8.028 0.045 25694 3445 1 9 . 1 1 60 60 GLU N N 60 118.831 118.831 119.173 -0.342 25694 3446 1 9 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.142 -0.021 25694 3447 1 9 . 1 1 60 60 GLU C C 60 178.367 178.367 178.935 -0.568 25694 3448 1 9 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.833 0.507 25694 3449 1 9 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.584 0.312 25694 3450 1 9 . 1 1 60 60 GLU H H 60 8.085 8.085 7.997 0.088 25694 3451 1 9 . 1 1 61 61 TYR N N 61 118.802 118.802 121.261 -2.459 25694 3452 1 9 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.253 0.077 25694 3453 1 9 . 1 1 61 61 TYR C C 61 177.629 177.629 177.154 0.475 25694 3454 1 9 . 1 1 61 61 TYR CA C 61 61.281 61.281 60.966 0.315 25694 3455 1 9 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.375 0.581 25694 3456 1 9 . 1 1 61 61 TYR H H 61 7.666 7.666 8.068 -0.402 25694 3457 1 9 . 1 1 62 62 LEU N N 62 119.351 119.351 119.535 -0.184 25694 3458 1 9 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.178 0.689 25694 3459 1 9 . 1 1 62 62 LEU C C 62 178.724 178.724 179.243 -0.519 25694 3460 1 9 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.604 0.015 25694 3461 1 9 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.236 0.954 25694 3462 1 9 . 1 1 62 62 LEU H H 62 8.275 8.275 8.398 -0.123 25694 3463 1 9 . 1 1 63 63 GLU N N 63 118.049 118.049 117.808 0.241 25694 3464 1 9 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.035 -0.038 25694 3465 1 9 . 1 1 63 63 GLU C C 63 178.649 178.649 179.134 -0.485 25694 3466 1 9 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.864 0.279 25694 3467 1 9 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.048 0.848 25694 3468 1 9 . 1 1 63 63 GLU H H 63 8.066 8.066 7.589 0.477 25694 3469 1 9 . 1 1 64 64 LYS N N 64 117.297 117.297 117.632 -0.335 25694 3470 1 9 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.284 -0.056 25694 3471 1 9 . 1 1 64 64 LYS C C 64 178.085 178.085 178.726 -0.641 25694 3472 1 9 . 1 1 64 64 LYS CA C 64 57.820 57.820 57.309 0.511 25694 3473 1 9 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.322 0.485 25694 3474 1 9 . 1 1 64 64 LYS H H 64 7.572 7.572 7.782 -0.210 25694 3475 1 9 . 1 1 65 65 ALA N N 65 121.570 121.570 122.932 -1.362 25694 3476 1 9 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.280 -0.106 25694 3477 1 9 . 1 1 65 65 ALA C C 65 178.707 178.707 179.469 -0.762 25694 3478 1 9 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.388 -0.588 25694 3479 1 9 . 1 1 65 65 ALA CB C 65 19.534 19.534 17.989 1.545 25694 3480 1 9 . 1 1 65 65 ALA H H 65 7.964 7.964 8.041 -0.077 25694 3481 1 9 . 1 1 66 66 LEU N N 66 117.399 117.399 118.559 -1.160 25694 3482 1 9 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.914 0.411 25694 3483 1 9 . 1 1 66 66 LEU C C 66 177.264 177.264 178.155 -0.891 25694 3484 1 9 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.863 -1.406 25694 3485 1 9 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.065 1.435 25694 3486 1 9 . 1 1 66 66 LEU H H 66 7.888 7.888 7.642 0.246 25694 3487 1 9 . 1 1 67 67 ASN N N 67 118.846 118.846 118.302 0.544 25694 3488 1 9 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.503 0.267 25694 3489 1 9 . 1 1 67 67 ASN C C 67 174.094 174.094 175.801 -1.707 25694 3490 1 9 . 1 1 67 67 ASN CA C 67 53.434 53.434 54.043 -0.609 25694 3491 1 9 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.251 0.028 25694 3492 1 9 . 1 1 67 67 ASN H H 67 7.959 7.959 7.631 0.328 25694 3493 1 10 . 1 1 0 0 MET HA H 0 4.501 4.501 4.794 -0.293 25694 3494 1 10 . 1 1 0 0 MET C C 0 176.102 176.102 175.356 0.746 25694 3495 1 10 . 1 1 0 0 MET CA C 0 55.781 55.781 54.329 1.452 25694 3496 1 10 . 1 1 0 0 MET CB C 0 33.455 33.455 32.876 0.579 25694 3497 1 10 . 1 1 1 1 LYS N N 1 124.708 124.708 126.251 -1.543 25694 3498 1 10 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.740 -0.102 25694 3499 1 10 . 1 1 1 1 LYS CA C 1 54.486 54.486 53.912 0.574 25694 3500 1 10 . 1 1 1 1 LYS CB C 1 32.808 32.808 33.416 -0.608 25694 3501 1 10 . 1 1 1 1 LYS H H 1 8.503 8.503 8.562 -0.059 25694 3502 1 10 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.417 0.067 25694 3503 1 10 . 1 1 2 2 PRO C C 2 177.031 177.031 175.603 1.428 25694 3504 1 10 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.939 0.261 25694 3505 1 10 . 1 1 2 2 PRO CB C 2 32.161 32.161 30.699 1.462 25694 3506 1 10 . 1 1 3 3 VAL N N 3 120.641 120.641 118.555 2.086 25694 3507 1 10 . 1 1 3 3 VAL HA H 3 4.119 4.119 4.980 -0.861 25694 3508 1 10 . 1 1 3 3 VAL C C 3 176.393 176.393 176.284 0.109 25694 3509 1 10 . 1 1 3 3 VAL CA C 3 62.495 62.495 61.195 1.300 25694 3510 1 10 . 1 1 3 3 VAL CB C 3 33.100 33.100 32.679 0.420 25694 3511 1 10 . 1 1 3 3 VAL H H 3 8.290 8.290 7.707 0.583 25694 3512 1 10 . 1 1 4 4 SER N N 4 119.097 119.097 124.317 -5.220 25694 3513 1 10 . 1 1 4 4 SER HA H 4 4.470 4.470 4.612 -0.142 25694 3514 1 10 . 1 1 4 4 SER C C 4 174.617 174.617 174.369 0.248 25694 3515 1 10 . 1 1 4 4 SER CA C 4 58.369 58.369 58.056 0.313 25694 3516 1 10 . 1 1 4 4 SER CB C 4 64.187 64.187 62.452 1.735 25694 3517 1 10 . 1 1 4 4 SER H H 4 8.349 8.349 8.838 -0.489 25694 3518 1 10 . 1 1 5 5 LEU N N 5 124.723 124.723 121.419 3.304 25694 3519 1 10 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.074 0.306 25694 3520 1 10 . 1 1 5 5 LEU C C 5 177.355 177.355 175.411 1.944 25694 3521 1 10 . 1 1 5 5 LEU CA C 5 55.388 55.388 55.704 -0.316 25694 3522 1 10 . 1 1 5 5 LEU CB C 5 42.515 42.515 41.997 0.518 25694 3523 1 10 . 1 1 5 5 LEU H H 5 8.339 8.339 7.977 0.362 25694 3524 1 10 . 1 1 6 6 SER N N 6 115.926 115.926 112.415 3.511 25694 3525 1 10 . 1 1 6 6 SER HA H 6 4.414 4.414 4.518 -0.104 25694 3526 1 10 . 1 1 6 6 SER C C 6 174.235 174.235 172.822 1.413 25694 3527 1 10 . 1 1 6 6 SER CA C 6 58.369 58.369 57.688 0.681 25694 3528 1 10 . 1 1 6 6 SER CB C 6 64.187 64.187 64.309 -0.122 25694 3529 1 10 . 1 1 6 6 SER H H 6 8.199 8.199 7.730 0.469 25694 3530 1 10 . 1 1 7 7 TYR N N 7 122.124 122.124 121.632 0.492 25694 3531 1 10 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.928 -0.352 25694 3532 1 10 . 1 1 7 7 TYR C C 7 175.530 175.530 173.716 1.814 25694 3533 1 10 . 1 1 7 7 TYR CA C 7 58.008 58.008 58.739 -0.731 25694 3534 1 10 . 1 1 7 7 TYR CB C 7 38.969 38.969 39.586 -0.617 25694 3535 1 10 . 1 1 7 7 TYR H H 7 8.049 8.049 8.393 -0.344 25694 3536 1 10 . 1 1 8 8 ARG N N 8 121.947 121.947 119.321 2.626 25694 3537 1 10 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.303 0.023 25694 3538 1 10 . 1 1 8 8 ARG C C 8 175.845 175.845 173.889 1.956 25694 3539 1 10 . 1 1 8 8 ARG CA C 8 56.104 56.104 55.242 0.862 25694 3540 1 10 . 1 1 8 8 ARG CB C 8 31.100 31.100 30.917 0.183 25694 3541 1 10 . 1 1 8 8 ARG H H 8 8.177 8.177 7.083 1.094 25694 3542 1 10 . 1 1 9 9 CYS N N 9 120.943 120.943 121.083 -0.140 25694 3543 1 10 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.526 0.428 25694 3544 1 10 . 1 1 9 9 CYS CA C 9 53.127 53.127 57.550 -4.423 25694 3545 1 10 . 1 1 9 9 CYS CB C 9 40.218 40.218 25.794 14.424 25694 3546 1 10 . 1 1 9 9 CYS H H 9 8.173 8.173 8.617 -0.444 25694 3547 1 10 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.391 -0.039 25694 3548 1 10 . 1 1 10 10 PRO C C 10 177.347 177.347 176.195 1.152 25694 3549 1 10 . 1 1 10 10 PRO CA C 10 64.859 64.859 64.112 0.747 25694 3550 1 10 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.140 0.368 25694 3551 1 10 . 1 1 11 11 CYS N N 11 114.096 114.096 112.502 1.594 25694 3552 1 10 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.749 -0.024 25694 3553 1 10 . 1 1 11 11 CYS CA C 11 53.429 53.429 57.252 -3.823 25694 3554 1 10 . 1 1 11 11 CYS CB C 11 39.279 39.279 29.934 9.345 25694 3555 1 10 . 1 1 11 11 CYS H H 11 8.232 8.232 7.535 0.697 25694 3556 1 10 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.070 -0.001 25694 3557 1 10 . 1 1 12 12 ARG C C 12 175.106 175.106 174.421 0.685 25694 3558 1 10 . 1 1 12 12 ARG CA C 12 57.000 57.000 55.911 1.089 25694 3559 1 10 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.403 1.097 25694 3560 1 10 . 1 1 13 13 PHE N N 13 116.259 116.259 118.343 -2.084 25694 3561 1 10 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.336 0.294 25694 3562 1 10 . 1 1 13 13 PHE C C 13 174.227 174.227 174.405 -0.178 25694 3563 1 10 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.602 -0.631 25694 3564 1 10 . 1 1 13 13 PHE CB C 13 41.059 41.059 41.109 -0.050 25694 3565 1 10 . 1 1 13 13 PHE H H 13 7.572 7.572 7.484 0.088 25694 3566 1 10 . 1 1 14 14 PHE N N 14 119.623 119.623 117.931 1.692 25694 3567 1 10 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.888 0.048 25694 3568 1 10 . 1 1 14 14 PHE C C 14 175.496 175.496 175.085 0.411 25694 3569 1 10 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.076 0.071 25694 3570 1 10 . 1 1 14 14 PHE CB C 14 41.544 41.544 42.481 -0.937 25694 3571 1 10 . 1 1 14 14 PHE H H 14 8.450 8.450 8.256 0.194 25694 3572 1 10 . 1 1 15 15 GLU N N 15 122.147 122.147 121.114 1.033 25694 3573 1 10 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.632 0.003 25694 3574 1 10 . 1 1 15 15 GLU C C 15 176.990 176.990 177.126 -0.136 25694 3575 1 10 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.326 1.454 25694 3576 1 10 . 1 1 15 15 GLU CB C 15 31.109 31.109 32.086 -0.977 25694 3577 1 10 . 1 1 15 15 GLU H H 15 8.956 8.956 9.065 -0.109 25694 3578 1 10 . 1 1 16 16 SER N N 16 119.943 119.943 117.903 2.040 25694 3579 1 10 . 1 1 16 16 SER HA H 16 4.598 4.598 4.402 0.196 25694 3580 1 10 . 1 1 16 16 SER C C 16 174.385 174.385 174.730 -0.345 25694 3581 1 10 . 1 1 16 16 SER CA C 16 59.799 59.799 60.118 -0.319 25694 3582 1 10 . 1 1 16 16 SER CB C 16 64.517 64.517 63.786 0.731 25694 3583 1 10 . 1 1 16 16 SER H H 16 8.943 8.943 8.785 0.158 25694 3584 1 10 . 1 1 17 17 HIS N N 17 119.124 119.124 117.070 2.054 25694 3585 1 10 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.837 -0.137 25694 3586 1 10 . 1 1 17 17 HIS C C 17 174.567 174.567 173.639 0.928 25694 3587 1 10 . 1 1 17 17 HIS CA C 17 56.751 56.751 54.900 1.851 25694 3588 1 10 . 1 1 17 17 HIS CB C 17 29.896 29.896 29.273 0.623 25694 3589 1 10 . 1 1 17 17 HIS H H 17 8.649 8.649 8.451 0.198 25694 3590 1 10 . 1 1 18 18 VAL N N 18 121.960 121.960 124.798 -2.838 25694 3591 1 10 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.204 -0.047 25694 3592 1 10 . 1 1 18 18 VAL C C 18 175.140 175.140 175.133 0.007 25694 3593 1 10 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.541 0.387 25694 3594 1 10 . 1 1 18 18 VAL CB C 18 33.700 33.700 33.633 0.067 25694 3595 1 10 . 1 1 18 18 VAL H H 18 7.876 7.876 8.389 -0.513 25694 3596 1 10 . 1 1 19 19 ALA N N 19 132.226 132.226 129.393 2.833 25694 3597 1 10 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.691 -0.176 25694 3598 1 10 . 1 1 19 19 ALA C C 19 178.060 178.060 177.649 0.411 25694 3599 1 10 . 1 1 19 19 ALA CA C 19 51.500 51.500 51.306 0.194 25694 3600 1 10 . 1 1 19 19 ALA CB C 19 18.884 18.884 19.893 -1.009 25694 3601 1 10 . 1 1 19 19 ALA H H 19 8.843 8.843 8.526 0.317 25694 3602 1 10 . 1 1 20 20 ARG N N 20 125.791 125.791 124.202 1.589 25694 3603 1 10 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.147 -0.310 25694 3604 1 10 . 1 1 20 20 ARG C C 20 178.459 178.459 177.368 1.091 25694 3605 1 10 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.241 0.398 25694 3606 1 10 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.507 -0.582 25694 3607 1 10 . 1 1 20 20 ARG H H 20 8.196 8.196 8.663 -0.467 25694 3608 1 10 . 1 1 21 21 ALA N N 21 117.396 117.396 119.856 -2.460 25694 3609 1 10 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.092 -0.010 25694 3610 1 10 . 1 1 21 21 ALA C C 21 177.745 177.745 177.163 0.582 25694 3611 1 10 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.794 0.015 25694 3612 1 10 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.681 0.203 25694 3613 1 10 . 1 1 21 21 ALA H H 21 8.309 8.309 8.233 0.076 25694 3614 1 10 . 1 1 22 22 ASN N N 22 113.201 113.201 113.090 0.111 25694 3615 1 10 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.748 0.226 25694 3616 1 10 . 1 1 22 22 ASN C C 22 174.999 174.999 174.232 0.767 25694 3617 1 10 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.599 -0.009 25694 3618 1 10 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.691 0.209 25694 3619 1 10 . 1 1 22 22 ASN H H 22 7.796 7.796 7.915 -0.119 25694 3620 1 10 . 1 1 23 23 VAL N N 23 117.829 117.829 114.994 2.835 25694 3621 1 10 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.825 -0.337 25694 3622 1 10 . 1 1 23 23 VAL C C 23 174.393 174.393 174.969 -0.576 25694 3623 1 10 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.770 1.480 25694 3624 1 10 . 1 1 23 23 VAL CB C 23 33.700 33.700 33.760 -0.060 25694 3625 1 10 . 1 1 23 23 VAL H H 23 7.477 7.477 7.071 0.406 25694 3626 1 10 . 1 1 24 24 LYS N N 24 123.962 123.962 123.389 0.573 25694 3627 1 10 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.512 -0.032 25694 3628 1 10 . 1 1 24 24 LYS C C 24 175.090 175.090 176.906 -1.816 25694 3629 1 10 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.062 0.042 25694 3630 1 10 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.387 2.009 25694 3631 1 10 . 1 1 24 24 LYS H H 24 9.276 9.276 8.643 0.633 25694 3632 1 10 . 1 1 25 25 HIS N N 25 115.921 115.921 118.632 -2.711 25694 3633 1 10 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.723 -0.020 25694 3634 1 10 . 1 1 25 25 HIS C C 25 173.364 173.364 172.403 0.961 25694 3635 1 10 . 1 1 25 25 HIS CA C 25 55.781 55.781 55.512 0.269 25694 3636 1 10 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.853 -0.692 25694 3637 1 10 . 1 1 25 25 HIS H H 25 7.964 7.964 7.682 0.282 25694 3638 1 10 . 1 1 26 26 LEU N N 26 122.215 122.215 125.231 -3.016 25694 3639 1 10 . 1 1 26 26 LEU HA H 26 4.968 4.968 4.898 0.070 25694 3640 1 10 . 1 1 26 26 LEU C C 26 175.720 175.720 174.580 1.140 25694 3641 1 10 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.256 2.201 25694 3642 1 10 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.757 -0.163 25694 3643 1 10 . 1 1 26 26 LEU H H 26 8.076 8.076 8.297 -0.221 25694 3644 1 10 . 1 1 27 27 LYS N N 27 122.738 122.738 123.139 -0.401 25694 3645 1 10 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.694 0.075 25694 3646 1 10 . 1 1 27 27 LYS C C 27 173.953 173.953 174.534 -0.581 25694 3647 1 10 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.177 0.953 25694 3648 1 10 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.522 0.778 25694 3649 1 10 . 1 1 27 27 LYS H H 27 9.113 9.113 8.873 0.240 25694 3650 1 10 . 1 1 28 28 ILE N N 28 122.212 122.212 124.231 -2.019 25694 3651 1 10 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.832 -0.056 25694 3652 1 10 . 1 1 28 28 ILE C C 28 175.895 175.895 175.290 0.605 25694 3653 1 10 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.883 0.317 25694 3654 1 10 . 1 1 28 28 ILE CB C 28 39.200 39.200 39.221 -0.021 25694 3655 1 10 . 1 1 28 28 ILE H H 28 8.535 8.535 8.699 -0.164 25694 3656 1 10 . 1 1 29 29 LEU N N 29 128.977 128.977 132.825 -3.848 25694 3657 1 10 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.596 0.119 25694 3658 1 10 . 1 1 29 29 LEU C C 29 175.438 175.438 175.368 0.070 25694 3659 1 10 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.096 1.004 25694 3660 1 10 . 1 1 29 29 LEU CB C 29 44.132 44.132 39.219 4.913 25694 3661 1 10 . 1 1 29 29 LEU H H 29 9.137 9.137 8.761 0.376 25694 3662 1 10 . 1 1 30 30 ASN N N 30 124.331 124.331 119.730 4.601 25694 3663 1 10 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.861 0.284 25694 3664 1 10 . 1 1 30 30 ASN C C 30 174.335 174.335 175.028 -0.693 25694 3665 1 10 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.904 0.508 25694 3666 1 10 . 1 1 30 30 ASN CB C 30 39.600 39.600 37.664 1.936 25694 3667 1 10 . 1 1 30 30 ASN H H 30 8.824 8.824 8.066 0.758 25694 3668 1 10 . 1 1 31 31 THR N N 31 118.685 118.685 114.802 3.883 25694 3669 1 10 . 1 1 31 31 THR HA H 31 4.796 4.796 4.864 -0.068 25694 3670 1 10 . 1 1 31 31 THR CA C 31 59.600 59.600 58.759 0.841 25694 3671 1 10 . 1 1 31 31 THR CB C 31 70.459 70.459 69.374 1.085 25694 3672 1 10 . 1 1 31 31 THR H H 31 8.456 8.456 7.901 0.555 25694 3673 1 10 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.326 -0.036 25694 3674 1 10 . 1 1 32 32 PRO C C 32 177.197 177.197 177.044 0.153 25694 3675 1 10 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.817 0.024 25694 3676 1 10 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.818 0.352 25694 3677 1 10 . 1 1 33 33 ASN N N 33 112.484 112.484 114.535 -2.051 25694 3678 1 10 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.785 -0.303 25694 3679 1 10 . 1 1 33 33 ASN C C 33 174.526 174.526 175.210 -0.684 25694 3680 1 10 . 1 1 33 33 ASN CA C 33 54.945 54.945 53.485 1.460 25694 3681 1 10 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.555 0.077 25694 3682 1 10 . 1 1 33 33 ASN H H 33 8.470 8.470 8.312 0.158 25694 3683 1 10 . 1 1 34 34 CYS N N 34 116.720 116.720 116.120 0.600 25694 3684 1 10 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.609 0.318 25694 3685 1 10 . 1 1 34 34 CYS C C 34 173.762 173.762 173.456 0.306 25694 3686 1 10 . 1 1 34 34 CYS CA C 34 54.810 54.810 58.273 -3.463 25694 3687 1 10 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.783 14.317 25694 3688 1 10 . 1 1 34 34 CYS H H 34 7.663 7.663 7.509 0.154 25694 3689 1 10 . 1 1 35 35 ALA N N 35 125.254 125.254 121.472 3.782 25694 3690 1 10 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.634 -0.337 25694 3691 1 10 . 1 1 35 35 ALA C C 35 176.882 176.882 174.939 1.943 25694 3692 1 10 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.491 0.922 25694 3693 1 10 . 1 1 35 35 ALA CB C 35 18.968 18.968 21.064 -2.096 25694 3694 1 10 . 1 1 35 35 ALA H H 35 8.449 8.449 8.203 0.246 25694 3695 1 10 . 1 1 36 36 LEU N N 36 122.078 122.078 121.337 0.741 25694 3696 1 10 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.752 -0.351 25694 3697 1 10 . 1 1 36 36 LEU C C 36 176.442 176.442 175.907 0.535 25694 3698 1 10 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.465 2.286 25694 3699 1 10 . 1 1 36 36 LEU CB C 36 42.465 42.465 41.632 0.833 25694 3700 1 10 . 1 1 36 36 LEU H H 36 8.073 8.073 8.363 -0.290 25694 3701 1 10 . 1 1 37 37 GLN N N 37 121.790 121.790 123.926 -2.136 25694 3702 1 10 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.886 -0.138 25694 3703 1 10 . 1 1 37 37 GLN C C 37 173.804 173.804 174.492 -0.688 25694 3704 1 10 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.298 0.102 25694 3705 1 10 . 1 1 37 37 GLN CB C 37 32.463 32.463 33.209 -0.746 25694 3706 1 10 . 1 1 37 37 GLN H H 37 8.397 8.397 9.047 -0.650 25694 3707 1 10 . 1 1 38 38 ILE N N 38 123.702 123.702 122.278 1.424 25694 3708 1 10 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.559 0.186 25694 3709 1 10 . 1 1 38 38 ILE C C 38 174.808 174.808 174.774 0.034 25694 3710 1 10 . 1 1 38 38 ILE CA C 38 60.950 60.950 58.781 2.169 25694 3711 1 10 . 1 1 38 38 ILE CB C 38 39.600 39.600 38.895 0.704 25694 3712 1 10 . 1 1 38 38 ILE H H 38 9.213 9.213 8.659 0.554 25694 3713 1 10 . 1 1 39 39 VAL N N 39 125.930 125.930 129.053 -3.123 25694 3714 1 10 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.730 0.286 25694 3715 1 10 . 1 1 39 39 VAL C C 39 174.741 174.741 173.931 0.810 25694 3716 1 10 . 1 1 39 39 VAL CA C 39 60.950 60.950 61.154 -0.204 25694 3717 1 10 . 1 1 39 39 VAL CB C 39 34.426 34.426 34.045 0.381 25694 3718 1 10 . 1 1 39 39 VAL H H 39 9.056 9.056 8.346 0.710 25694 3719 1 10 . 1 1 40 40 ALA N N 40 127.551 127.551 130.108 -2.557 25694 3720 1 10 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.164 0.168 25694 3721 1 10 . 1 1 40 40 ALA C C 40 175.948 175.948 175.319 0.629 25694 3722 1 10 . 1 1 40 40 ALA CA C 40 50.280 50.280 49.964 0.316 25694 3723 1 10 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.303 0.760 25694 3724 1 10 . 1 1 40 40 ALA H H 40 9.335 9.335 9.407 -0.072 25694 3725 1 10 . 1 1 41 41 ARG N N 41 118.658 118.658 120.605 -1.947 25694 3726 1 10 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.179 0.040 25694 3727 1 10 . 1 1 41 41 ARG C C 41 176.310 176.310 175.768 0.542 25694 3728 1 10 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.539 0.561 25694 3729 1 10 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.786 0.642 25694 3730 1 10 . 1 1 41 41 ARG H H 41 8.511 8.511 8.977 -0.466 25694 3731 1 10 . 1 1 42 42 LEU N N 42 125.307 125.307 125.244 0.063 25694 3732 1 10 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.738 0.188 25694 3733 1 10 . 1 1 42 42 LEU C C 42 178.475 178.475 177.846 0.629 25694 3734 1 10 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.252 -0.923 25694 3735 1 10 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.191 -0.694 25694 3736 1 10 . 1 1 42 42 LEU H H 42 9.038 9.038 8.955 0.083 25694 3737 1 10 . 1 1 43 43 LYS N N 43 120.597 120.597 123.710 -3.113 25694 3738 1 10 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.946 -0.113 25694 3739 1 10 . 1 1 43 43 LYS C C 43 178.342 178.342 178.125 0.217 25694 3740 1 10 . 1 1 43 43 LYS CA C 43 59.340 59.340 59.353 -0.013 25694 3741 1 10 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.366 1.079 25694 3742 1 10 . 1 1 43 43 LYS H H 43 8.480 8.480 8.836 -0.356 25694 3743 1 10 . 1 1 44 44 ASN N N 44 114.812 114.812 116.095 -1.283 25694 3744 1 10 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.527 -0.051 25694 3745 1 10 . 1 1 44 44 ASN C C 44 176.032 176.032 176.277 -0.245 25694 3746 1 10 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.241 0.539 25694 3747 1 10 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.599 -0.091 25694 3748 1 10 . 1 1 44 44 ASN H H 44 8.725 8.725 8.293 0.432 25694 3749 1 10 . 1 1 45 45 ASN N N 45 115.093 115.093 119.017 -3.924 25694 3750 1 10 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.562 0.176 25694 3751 1 10 . 1 1 45 45 ASN C C 45 175.513 175.513 175.338 0.175 25694 3752 1 10 . 1 1 45 45 ASN CA C 45 52.769 52.769 53.001 -0.232 25694 3753 1 10 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.747 0.464 25694 3754 1 10 . 1 1 45 45 ASN H H 45 7.519 7.519 8.229 -0.710 25694 3755 1 10 . 1 1 46 46 ASN N N 46 116.121 116.121 115.275 0.846 25694 3756 1 10 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.614 0.055 25694 3757 1 10 . 1 1 46 46 ASN C C 46 174.816 174.816 173.273 1.543 25694 3758 1 10 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.563 0.237 25694 3759 1 10 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.582 1.697 25694 3760 1 10 . 1 1 46 46 ASN H H 46 8.033 8.033 8.489 -0.456 25694 3761 1 10 . 1 1 47 47 ARG N N 47 119.917 119.917 116.945 2.972 25694 3762 1 10 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.575 -0.322 25694 3763 1 10 . 1 1 47 47 ARG C C 47 175.845 175.845 174.798 1.047 25694 3764 1 10 . 1 1 47 47 ARG CA C 47 57.084 57.084 54.829 2.255 25694 3765 1 10 . 1 1 47 47 ARG CB C 47 31.785 31.785 31.688 0.097 25694 3766 1 10 . 1 1 47 47 ARG H H 47 7.981 7.981 7.761 0.220 25694 3767 1 10 . 1 1 48 48 GLN N N 48 123.497 123.497 122.058 1.439 25694 3768 1 10 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.526 -0.284 25694 3769 1 10 . 1 1 48 48 GLN C C 48 175.629 175.629 175.600 0.029 25694 3770 1 10 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.641 0.139 25694 3771 1 10 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.363 0.827 25694 3772 1 10 . 1 1 48 48 GLN H H 48 8.737 8.737 8.527 0.210 25694 3773 1 10 . 1 1 49 49 VAL N N 49 119.819 119.819 122.336 -2.517 25694 3774 1 10 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.567 0.206 25694 3775 1 10 . 1 1 49 49 VAL C C 49 174.235 174.235 173.571 0.664 25694 3776 1 10 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.257 -0.991 25694 3777 1 10 . 1 1 49 49 VAL CB C 49 36.000 36.000 35.643 0.357 25694 3778 1 10 . 1 1 49 49 VAL H H 49 9.150 9.150 8.933 0.217 25694 3779 1 10 . 1 1 50 50 CYS N N 50 120.721 120.721 124.381 -3.660 25694 3780 1 10 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.642 0.011 25694 3781 1 10 . 1 1 50 50 CYS C C 50 174.078 174.078 174.965 -0.887 25694 3782 1 10 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.592 -1.163 25694 3783 1 10 . 1 1 50 50 CYS CB C 50 45.270 45.270 27.304 17.966 25694 3784 1 10 . 1 1 50 50 CYS H H 50 8.854 8.854 8.614 0.240 25694 3785 1 10 . 1 1 51 51 ILE N N 51 124.038 124.038 123.278 0.760 25694 3786 1 10 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.446 0.064 25694 3787 1 10 . 1 1 51 51 ILE C C 51 174.775 174.775 174.884 -0.109 25694 3788 1 10 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.295 -0.995 25694 3789 1 10 . 1 1 51 51 ILE CB C 51 39.603 39.603 40.471 -0.868 25694 3790 1 10 . 1 1 51 51 ILE H H 51 8.934 8.934 8.723 0.211 25694 3791 1 10 . 1 1 52 52 ASP N N 52 127.393 127.393 122.864 4.529 25694 3792 1 10 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.159 -0.414 25694 3793 1 10 . 1 1 52 52 ASP CA C 52 51.890 51.890 52.520 -0.630 25694 3794 1 10 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.080 1.082 25694 3795 1 10 . 1 1 52 52 ASP H H 52 8.098 8.098 7.982 0.116 25694 3796 1 10 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.340 -0.255 25694 3797 1 10 . 1 1 53 53 PRO C C 53 176.500 176.500 175.769 0.731 25694 3798 1 10 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.488 1.022 25694 3799 1 10 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.992 0.280 25694 3800 1 10 . 1 1 54 54 LYS N N 54 116.899 116.899 117.349 -0.450 25694 3801 1 10 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.336 -0.131 25694 3802 1 10 . 1 1 54 54 LYS C C 54 176.791 176.791 176.871 -0.080 25694 3803 1 10 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.911 -0.211 25694 3804 1 10 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.820 -2.020 25694 3805 1 10 . 1 1 54 54 LYS H H 54 8.129 8.129 8.267 -0.138 25694 3806 1 10 . 1 1 55 55 CYS N N 55 119.988 119.988 119.298 0.690 25694 3807 1 10 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.240 0.157 25694 3808 1 10 . 1 1 55 55 CYS CA C 55 57.075 57.075 58.074 -0.999 25694 3809 1 10 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.604 12.940 25694 3810 1 10 . 1 1 55 55 CYS H H 55 7.989 7.989 7.566 0.423 25694 3811 1 10 . 1 1 56 56 LYS HA H 56 4.127 4.127 3.942 0.185 25694 3812 1 10 . 1 1 56 56 LYS C C 56 178.326 178.326 178.181 0.145 25694 3813 1 10 . 1 1 56 56 LYS CA C 56 60.600 60.600 59.768 0.832 25694 3814 1 10 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.682 0.118 25694 3815 1 10 . 1 1 57 57 TRP N N 57 114.860 114.860 115.199 -0.339 25694 3816 1 10 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.815 0.090 25694 3817 1 10 . 1 1 57 57 TRP C C 57 177.803 177.803 177.633 0.170 25694 3818 1 10 . 1 1 57 57 TRP CA C 57 56.240 56.240 56.994 -0.754 25694 3819 1 10 . 1 1 57 57 TRP CB C 57 28.925 28.925 28.734 0.191 25694 3820 1 10 . 1 1 57 57 TRP H H 57 7.274 7.274 7.614 -0.340 25694 3821 1 10 . 1 1 58 58 CYS N N 58 121.960 121.960 118.970 2.990 25694 3822 1 10 . 1 1 58 58 CYS HA H 58 3.917 3.917 4.249 -0.332 25694 3823 1 10 . 1 1 58 58 CYS C C 58 175.480 175.480 177.406 -1.926 25694 3824 1 10 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.720 4.115 25694 3825 1 10 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.751 10.616 25694 3826 1 10 . 1 1 58 58 CYS H H 58 7.780 7.780 7.169 0.611 25694 3827 1 10 . 1 1 59 59 GLN N N 59 119.203 119.203 119.603 -0.400 25694 3828 1 10 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.920 0.027 25694 3829 1 10 . 1 1 59 59 GLN C C 59 178.152 178.152 178.721 -0.569 25694 3830 1 10 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.825 0.838 25694 3831 1 10 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.542 0.430 25694 3832 1 10 . 1 1 59 59 GLN H H 59 8.073 8.073 7.938 0.135 25694 3833 1 10 . 1 1 60 60 GLU N N 60 118.831 118.831 118.491 0.340 25694 3834 1 10 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.216 -0.095 25694 3835 1 10 . 1 1 60 60 GLU C C 60 178.367 178.367 178.921 -0.554 25694 3836 1 10 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.438 0.902 25694 3837 1 10 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.420 0.476 25694 3838 1 10 . 1 1 60 60 GLU H H 60 8.085 8.085 7.924 0.161 25694 3839 1 10 . 1 1 61 61 TYR N N 61 118.802 118.802 120.963 -2.161 25694 3840 1 10 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.368 -0.038 25694 3841 1 10 . 1 1 61 61 TYR C C 61 177.629 177.629 177.293 0.336 25694 3842 1 10 . 1 1 61 61 TYR CA C 61 61.281 61.281 60.997 0.284 25694 3843 1 10 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.521 0.435 25694 3844 1 10 . 1 1 61 61 TYR H H 61 7.666 7.666 7.746 -0.080 25694 3845 1 10 . 1 1 62 62 LEU N N 62 119.351 119.351 120.158 -0.807 25694 3846 1 10 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.197 0.670 25694 3847 1 10 . 1 1 62 62 LEU C C 62 178.724 178.724 178.805 -0.081 25694 3848 1 10 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.920 -0.301 25694 3849 1 10 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.348 0.842 25694 3850 1 10 . 1 1 62 62 LEU H H 62 8.275 8.275 8.558 -0.283 25694 3851 1 10 . 1 1 63 63 GLU N N 63 118.049 118.049 117.468 0.581 25694 3852 1 10 . 1 1 63 63 GLU HA H 63 3.997 3.997 3.944 0.053 25694 3853 1 10 . 1 1 63 63 GLU C C 63 178.649 178.649 178.424 0.225 25694 3854 1 10 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.885 0.258 25694 3855 1 10 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.110 0.786 25694 3856 1 10 . 1 1 63 63 GLU H H 63 8.066 8.066 7.711 0.355 25694 3857 1 10 . 1 1 64 64 LYS N N 64 117.297 117.297 119.121 -1.824 25694 3858 1 10 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.204 0.024 25694 3859 1 10 . 1 1 64 64 LYS C C 64 178.085 178.085 178.867 -0.782 25694 3860 1 10 . 1 1 64 64 LYS CA C 64 57.820 57.820 58.155 -0.335 25694 3861 1 10 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.537 0.271 25694 3862 1 10 . 1 1 64 64 LYS H H 64 7.572 7.572 7.313 0.259 25694 3863 1 10 . 1 1 65 65 ALA N N 65 121.570 121.570 122.987 -1.417 25694 3864 1 10 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.440 -0.266 25694 3865 1 10 . 1 1 65 65 ALA C C 65 178.707 178.707 179.746 -1.039 25694 3866 1 10 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.326 -0.526 25694 3867 1 10 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.081 1.453 25694 3868 1 10 . 1 1 65 65 ALA H H 65 7.964 7.964 8.262 -0.298 25694 3869 1 10 . 1 1 66 66 LEU N N 66 117.399 117.399 116.290 1.109 25694 3870 1 10 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.952 0.373 25694 3871 1 10 . 1 1 66 66 LEU C C 66 177.264 177.264 177.622 -0.358 25694 3872 1 10 . 1 1 66 66 LEU CA C 66 55.457 55.457 57.085 -1.628 25694 3873 1 10 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.768 0.732 25694 3874 1 10 . 1 1 66 66 LEU H H 66 7.888 7.888 7.545 0.343 25694 3875 1 10 . 1 1 67 67 ASN N N 67 118.846 118.846 116.801 2.045 25694 3876 1 10 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.860 -0.090 25694 3877 1 10 . 1 1 67 67 ASN C C 67 174.094 174.094 173.955 0.139 25694 3878 1 10 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.586 0.848 25694 3879 1 10 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.016 0.263 25694 3880 1 10 . 1 1 67 67 ASN H H 67 7.959 7.959 7.810 0.149 25694 3881 1 11 . 1 1 0 0 MET HA H 0 4.501 4.501 5.095 -0.594 25694 3882 1 11 . 1 1 0 0 MET C C 0 176.102 176.102 173.949 2.153 25694 3883 1 11 . 1 1 0 0 MET CA C 0 55.781 55.781 54.378 1.403 25694 3884 1 11 . 1 1 0 0 MET CB C 0 33.455 33.455 35.167 -1.712 25694 3885 1 11 . 1 1 1 1 LYS N N 1 124.708 124.708 120.615 4.093 25694 3886 1 11 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.649 -0.011 25694 3887 1 11 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.737 -0.251 25694 3888 1 11 . 1 1 1 1 LYS CB C 1 32.808 32.808 33.195 -0.387 25694 3889 1 11 . 1 1 1 1 LYS H H 1 8.503 8.503 8.556 -0.053 25694 3890 1 11 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.491 -0.007 25694 3891 1 11 . 1 1 2 2 PRO C C 2 177.031 177.031 176.006 1.025 25694 3892 1 11 . 1 1 2 2 PRO CA C 2 63.200 63.200 63.066 0.134 25694 3893 1 11 . 1 1 2 2 PRO CB C 2 32.161 32.161 31.877 0.284 25694 3894 1 11 . 1 1 3 3 VAL N N 3 120.641 120.641 117.523 3.118 25694 3895 1 11 . 1 1 3 3 VAL HA H 3 4.119 4.119 4.183 -0.064 25694 3896 1 11 . 1 1 3 3 VAL C C 3 176.393 176.393 175.304 1.089 25694 3897 1 11 . 1 1 3 3 VAL CA C 3 62.495 62.495 62.618 -0.123 25694 3898 1 11 . 1 1 3 3 VAL CB C 3 33.100 33.100 31.172 1.929 25694 3899 1 11 . 1 1 3 3 VAL H H 3 8.290 8.290 7.570 0.720 25694 3900 1 11 . 1 1 4 4 SER N N 4 119.097 119.097 119.928 -0.831 25694 3901 1 11 . 1 1 4 4 SER HA H 4 4.470 4.470 4.670 -0.200 25694 3902 1 11 . 1 1 4 4 SER C C 4 174.617 174.617 173.461 1.156 25694 3903 1 11 . 1 1 4 4 SER CA C 4 58.369 58.369 57.709 0.660 25694 3904 1 11 . 1 1 4 4 SER CB C 4 64.187 64.187 64.016 0.171 25694 3905 1 11 . 1 1 4 4 SER H H 4 8.349 8.349 8.112 0.237 25694 3906 1 11 . 1 1 5 5 LEU N N 5 124.723 124.723 123.757 0.966 25694 3907 1 11 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.346 0.034 25694 3908 1 11 . 1 1 5 5 LEU C C 5 177.355 177.355 177.319 0.036 25694 3909 1 11 . 1 1 5 5 LEU CA C 5 55.388 55.388 55.891 -0.503 25694 3910 1 11 . 1 1 5 5 LEU CB C 5 42.515 42.515 41.822 0.693 25694 3911 1 11 . 1 1 5 5 LEU H H 5 8.339 8.339 7.909 0.430 25694 3912 1 11 . 1 1 6 6 SER N N 6 115.926 115.926 114.731 1.195 25694 3913 1 11 . 1 1 6 6 SER HA H 6 4.414 4.414 4.105 0.309 25694 3914 1 11 . 1 1 6 6 SER C C 6 174.235 174.235 174.467 -0.232 25694 3915 1 11 . 1 1 6 6 SER CA C 6 58.369 58.369 59.739 -1.370 25694 3916 1 11 . 1 1 6 6 SER CB C 6 64.187 64.187 61.818 2.369 25694 3917 1 11 . 1 1 6 6 SER H H 6 8.199 8.199 8.812 -0.613 25694 3918 1 11 . 1 1 7 7 TYR N N 7 122.124 122.124 118.794 3.330 25694 3919 1 11 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.223 0.353 25694 3920 1 11 . 1 1 7 7 TYR C C 7 175.530 175.530 176.206 -0.676 25694 3921 1 11 . 1 1 7 7 TYR CA C 7 58.008 58.008 60.055 -2.047 25694 3922 1 11 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.525 0.444 25694 3923 1 11 . 1 1 7 7 TYR H H 7 8.049 8.049 8.251 -0.202 25694 3924 1 11 . 1 1 8 8 ARG N N 8 121.947 121.947 114.520 7.427 25694 3925 1 11 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.343 -0.017 25694 3926 1 11 . 1 1 8 8 ARG C C 8 175.845 175.845 173.623 2.222 25694 3927 1 11 . 1 1 8 8 ARG CA C 8 56.104 56.104 53.920 2.184 25694 3928 1 11 . 1 1 8 8 ARG CB C 8 31.100 31.100 32.775 -1.675 25694 3929 1 11 . 1 1 8 8 ARG H H 8 8.177 8.177 6.903 1.274 25694 3930 1 11 . 1 1 9 9 CYS N N 9 120.943 120.943 119.837 1.106 25694 3931 1 11 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.663 0.291 25694 3932 1 11 . 1 1 9 9 CYS CA C 9 53.127 53.127 57.595 -4.468 25694 3933 1 11 . 1 1 9 9 CYS CB C 9 40.218 40.218 26.460 13.758 25694 3934 1 11 . 1 1 9 9 CYS H H 9 8.173 8.173 8.333 -0.160 25694 3935 1 11 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.492 -0.140 25694 3936 1 11 . 1 1 10 10 PRO C C 10 177.347 177.347 176.244 1.103 25694 3937 1 11 . 1 1 10 10 PRO CA C 10 64.859 64.859 64.248 0.611 25694 3938 1 11 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.235 0.273 25694 3939 1 11 . 1 1 11 11 CYS N N 11 114.096 114.096 112.840 1.256 25694 3940 1 11 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.878 -0.153 25694 3941 1 11 . 1 1 11 11 CYS CA C 11 53.429 53.429 57.174 -3.745 25694 3942 1 11 . 1 1 11 11 CYS CB C 11 39.279 39.279 29.690 9.589 25694 3943 1 11 . 1 1 11 11 CYS H H 11 8.232 8.232 7.859 0.373 25694 3944 1 11 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.138 -0.069 25694 3945 1 11 . 1 1 12 12 ARG C C 12 175.106 175.106 174.673 0.433 25694 3946 1 11 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.795 0.205 25694 3947 1 11 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.813 0.687 25694 3948 1 11 . 1 1 13 13 PHE N N 13 116.259 116.259 118.322 -2.063 25694 3949 1 11 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.225 0.405 25694 3950 1 11 . 1 1 13 13 PHE C C 13 174.227 174.227 174.488 -0.261 25694 3951 1 11 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.840 -0.869 25694 3952 1 11 . 1 1 13 13 PHE CB C 13 41.059 41.059 41.256 -0.197 25694 3953 1 11 . 1 1 13 13 PHE H H 13 7.572 7.572 7.718 -0.146 25694 3954 1 11 . 1 1 14 14 PHE N N 14 119.623 119.623 118.675 0.948 25694 3955 1 11 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.888 0.048 25694 3956 1 11 . 1 1 14 14 PHE C C 14 175.496 175.496 174.916 0.580 25694 3957 1 11 . 1 1 14 14 PHE CA C 14 56.147 56.147 55.572 0.575 25694 3958 1 11 . 1 1 14 14 PHE CB C 14 41.544 41.544 41.723 -0.179 25694 3959 1 11 . 1 1 14 14 PHE H H 14 8.450 8.450 8.099 0.351 25694 3960 1 11 . 1 1 15 15 GLU N N 15 122.147 122.147 121.794 0.353 25694 3961 1 11 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.706 -0.071 25694 3962 1 11 . 1 1 15 15 GLU C C 15 176.990 176.990 177.595 -0.605 25694 3963 1 11 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.956 0.824 25694 3964 1 11 . 1 1 15 15 GLU CB C 15 31.109 31.109 32.262 -1.153 25694 3965 1 11 . 1 1 15 15 GLU H H 15 8.956 8.956 9.041 -0.085 25694 3966 1 11 . 1 1 16 16 SER N N 16 119.943 119.943 119.964 -0.021 25694 3967 1 11 . 1 1 16 16 SER HA H 16 4.598 4.598 4.280 0.318 25694 3968 1 11 . 1 1 16 16 SER C C 16 174.385 174.385 174.051 0.334 25694 3969 1 11 . 1 1 16 16 SER CA C 16 59.799 59.799 59.907 -0.108 25694 3970 1 11 . 1 1 16 16 SER CB C 16 64.517 64.517 63.248 1.269 25694 3971 1 11 . 1 1 16 16 SER H H 16 8.943 8.943 8.716 0.227 25694 3972 1 11 . 1 1 17 17 HIS N N 17 119.124 119.124 117.537 1.587 25694 3973 1 11 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.766 -0.066 25694 3974 1 11 . 1 1 17 17 HIS C C 17 174.567 174.567 173.119 1.448 25694 3975 1 11 . 1 1 17 17 HIS CA C 17 56.751 56.751 54.688 2.063 25694 3976 1 11 . 1 1 17 17 HIS CB C 17 29.896 29.896 30.181 -0.285 25694 3977 1 11 . 1 1 17 17 HIS H H 17 8.649 8.649 8.295 0.354 25694 3978 1 11 . 1 1 18 18 VAL N N 18 121.960 121.960 123.544 -1.584 25694 3979 1 11 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.332 -0.175 25694 3980 1 11 . 1 1 18 18 VAL C C 18 175.140 175.140 175.142 -0.002 25694 3981 1 11 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.526 0.402 25694 3982 1 11 . 1 1 18 18 VAL CB C 18 33.700 33.700 33.080 0.620 25694 3983 1 11 . 1 1 18 18 VAL H H 18 7.876 7.876 8.282 -0.406 25694 3984 1 11 . 1 1 19 19 ALA N N 19 132.226 132.226 129.199 3.027 25694 3985 1 11 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.922 -0.407 25694 3986 1 11 . 1 1 19 19 ALA C C 19 178.060 178.060 177.512 0.548 25694 3987 1 11 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.417 1.083 25694 3988 1 11 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.657 -1.773 25694 3989 1 11 . 1 1 19 19 ALA H H 19 8.843 8.843 8.468 0.375 25694 3990 1 11 . 1 1 20 20 ARG N N 20 125.791 125.791 123.927 1.864 25694 3991 1 11 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.033 -0.196 25694 3992 1 11 . 1 1 20 20 ARG C C 20 178.459 178.459 176.947 1.512 25694 3993 1 11 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.272 0.367 25694 3994 1 11 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.334 -0.409 25694 3995 1 11 . 1 1 20 20 ARG H H 20 8.196 8.196 8.447 -0.251 25694 3996 1 11 . 1 1 21 21 ALA N N 21 117.396 117.396 119.000 -1.604 25694 3997 1 11 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.148 -0.066 25694 3998 1 11 . 1 1 21 21 ALA C C 21 177.745 177.745 177.441 0.304 25694 3999 1 11 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.714 0.095 25694 4000 1 11 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.871 0.013 25694 4001 1 11 . 1 1 21 21 ALA H H 21 8.309 8.309 8.088 0.221 25694 4002 1 11 . 1 1 22 22 ASN N N 22 113.201 113.201 114.620 -1.419 25694 4003 1 11 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.700 0.274 25694 4004 1 11 . 1 1 22 22 ASN C C 22 174.999 174.999 174.248 0.751 25694 4005 1 11 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.673 -0.083 25694 4006 1 11 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.199 0.701 25694 4007 1 11 . 1 1 22 22 ASN H H 22 7.796 7.796 7.999 -0.203 25694 4008 1 11 . 1 1 23 23 VAL N N 23 117.829 117.829 112.980 4.849 25694 4009 1 11 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.870 -0.382 25694 4010 1 11 . 1 1 23 23 VAL C C 23 174.393 174.393 174.855 -0.462 25694 4011 1 11 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.390 1.860 25694 4012 1 11 . 1 1 23 23 VAL CB C 23 33.700 33.700 35.130 -1.430 25694 4013 1 11 . 1 1 23 23 VAL H H 23 7.477 7.477 6.927 0.550 25694 4014 1 11 . 1 1 24 24 LYS N N 24 123.962 123.962 122.879 1.083 25694 4015 1 11 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.404 0.076 25694 4016 1 11 . 1 1 24 24 LYS C C 24 175.090 175.090 176.490 -1.400 25694 4017 1 11 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.633 -0.529 25694 4018 1 11 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.590 1.806 25694 4019 1 11 . 1 1 24 24 LYS H H 24 9.276 9.276 8.608 0.668 25694 4020 1 11 . 1 1 25 25 HIS N N 25 115.921 115.921 119.582 -3.661 25694 4021 1 11 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.770 -0.067 25694 4022 1 11 . 1 1 25 25 HIS C C 25 173.364 173.364 172.705 0.659 25694 4023 1 11 . 1 1 25 25 HIS CA C 25 55.781 55.781 55.690 0.091 25694 4024 1 11 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.237 -0.076 25694 4025 1 11 . 1 1 25 25 HIS H H 25 7.964 7.964 7.603 0.361 25694 4026 1 11 . 1 1 26 26 LEU N N 26 122.215 122.215 126.020 -3.805 25694 4027 1 11 . 1 1 26 26 LEU HA H 26 4.968 4.968 4.941 0.027 25694 4028 1 11 . 1 1 26 26 LEU C C 26 175.720 175.720 174.727 0.993 25694 4029 1 11 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.334 2.123 25694 4030 1 11 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.522 0.072 25694 4031 1 11 . 1 1 26 26 LEU H H 26 8.076 8.076 8.427 -0.351 25694 4032 1 11 . 1 1 27 27 LYS N N 27 122.738 122.738 123.508 -0.770 25694 4033 1 11 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.683 0.086 25694 4034 1 11 . 1 1 27 27 LYS C C 27 173.953 173.953 174.767 -0.814 25694 4035 1 11 . 1 1 27 27 LYS CA C 27 55.130 55.130 53.881 1.249 25694 4036 1 11 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.991 0.309 25694 4037 1 11 . 1 1 27 27 LYS H H 27 9.113 9.113 8.935 0.178 25694 4038 1 11 . 1 1 28 28 ILE N N 28 122.212 122.212 122.791 -0.579 25694 4039 1 11 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.634 0.142 25694 4040 1 11 . 1 1 28 28 ILE C C 28 175.895 175.895 176.075 -0.180 25694 4041 1 11 . 1 1 28 28 ILE CA C 28 60.200 60.200 60.883 -0.682 25694 4042 1 11 . 1 1 28 28 ILE CB C 28 39.200 39.200 38.525 0.675 25694 4043 1 11 . 1 1 28 28 ILE H H 28 8.535 8.535 8.569 -0.034 25694 4044 1 11 . 1 1 29 29 LEU N N 29 128.977 128.977 131.447 -2.470 25694 4045 1 11 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.576 0.139 25694 4046 1 11 . 1 1 29 29 LEU C C 29 175.438 175.438 175.603 -0.165 25694 4047 1 11 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.383 0.717 25694 4048 1 11 . 1 1 29 29 LEU CB C 29 44.132 44.132 39.659 4.473 25694 4049 1 11 . 1 1 29 29 LEU H H 29 9.137 9.137 8.919 0.218 25694 4050 1 11 . 1 1 30 30 ASN N N 30 124.331 124.331 120.179 4.152 25694 4051 1 11 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.872 0.273 25694 4052 1 11 . 1 1 30 30 ASN C C 30 174.335 174.335 175.215 -0.880 25694 4053 1 11 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.322 1.091 25694 4054 1 11 . 1 1 30 30 ASN CB C 30 39.600 39.600 37.827 1.773 25694 4055 1 11 . 1 1 30 30 ASN H H 30 8.824 8.824 8.203 0.621 25694 4056 1 11 . 1 1 31 31 THR N N 31 118.685 118.685 113.983 4.702 25694 4057 1 11 . 1 1 31 31 THR HA H 31 4.796 4.796 4.733 0.063 25694 4058 1 11 . 1 1 31 31 THR CA C 31 59.600 59.600 59.802 -0.202 25694 4059 1 11 . 1 1 31 31 THR CB C 31 70.459 70.459 68.986 1.473 25694 4060 1 11 . 1 1 31 31 THR H H 31 8.456 8.456 7.964 0.492 25694 4061 1 11 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.362 -0.072 25694 4062 1 11 . 1 1 32 32 PRO C C 32 177.197 177.197 177.012 0.185 25694 4063 1 11 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.855 -0.013 25694 4064 1 11 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.790 0.380 25694 4065 1 11 . 1 1 33 33 ASN N N 33 112.484 112.484 114.663 -2.179 25694 4066 1 11 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.753 -0.271 25694 4067 1 11 . 1 1 33 33 ASN C C 33 174.526 174.526 174.964 -0.438 25694 4068 1 11 . 1 1 33 33 ASN CA C 33 54.945 54.945 53.615 1.330 25694 4069 1 11 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.533 0.099 25694 4070 1 11 . 1 1 33 33 ASN H H 33 8.470 8.470 8.535 -0.065 25694 4071 1 11 . 1 1 34 34 CYS N N 34 116.720 116.720 117.414 -0.694 25694 4072 1 11 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.614 0.313 25694 4073 1 11 . 1 1 34 34 CYS C C 34 173.762 173.762 172.979 0.783 25694 4074 1 11 . 1 1 34 34 CYS CA C 34 54.810 54.810 58.283 -3.473 25694 4075 1 11 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.707 14.393 25694 4076 1 11 . 1 1 34 34 CYS H H 34 7.663 7.663 7.504 0.159 25694 4077 1 11 . 1 1 35 35 ALA N N 35 125.254 125.254 121.307 3.947 25694 4078 1 11 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.516 -0.219 25694 4079 1 11 . 1 1 35 35 ALA C C 35 176.882 176.882 174.277 2.605 25694 4080 1 11 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.508 0.905 25694 4081 1 11 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.622 -1.653 25694 4082 1 11 . 1 1 35 35 ALA H H 35 8.449 8.449 8.386 0.063 25694 4083 1 11 . 1 1 36 36 LEU N N 36 122.078 122.078 121.009 1.069 25694 4084 1 11 . 1 1 36 36 LEU HA H 36 4.401 4.401 5.399 -0.998 25694 4085 1 11 . 1 1 36 36 LEU C C 36 176.442 176.442 175.987 0.455 25694 4086 1 11 . 1 1 36 36 LEU CA C 36 56.751 56.751 53.761 2.990 25694 4087 1 11 . 1 1 36 36 LEU CB C 36 42.465 42.465 43.280 -0.815 25694 4088 1 11 . 1 1 36 36 LEU H H 36 8.073 8.073 8.371 -0.298 25694 4089 1 11 . 1 1 37 37 GLN N N 37 121.790 121.790 125.154 -3.364 25694 4090 1 11 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.724 0.024 25694 4091 1 11 . 1 1 37 37 GLN C C 37 173.804 173.804 174.954 -1.150 25694 4092 1 11 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.252 0.148 25694 4093 1 11 . 1 1 37 37 GLN CB C 37 32.463 32.463 32.877 -0.414 25694 4094 1 11 . 1 1 37 37 GLN H H 37 8.397 8.397 8.905 -0.508 25694 4095 1 11 . 1 1 38 38 ILE N N 38 123.702 123.702 123.521 0.181 25694 4096 1 11 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.625 0.120 25694 4097 1 11 . 1 1 38 38 ILE C C 38 174.808 174.808 175.161 -0.353 25694 4098 1 11 . 1 1 38 38 ILE CA C 38 60.950 60.950 60.810 0.140 25694 4099 1 11 . 1 1 38 38 ILE CB C 38 39.600 39.600 38.409 1.191 25694 4100 1 11 . 1 1 38 38 ILE H H 38 9.213 9.213 8.564 0.649 25694 4101 1 11 . 1 1 39 39 VAL N N 39 125.930 125.930 129.027 -3.097 25694 4102 1 11 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.864 0.152 25694 4103 1 11 . 1 1 39 39 VAL C C 39 174.741 174.741 174.049 0.692 25694 4104 1 11 . 1 1 39 39 VAL CA C 39 60.950 60.950 60.776 0.174 25694 4105 1 11 . 1 1 39 39 VAL CB C 39 34.426 34.426 34.055 0.371 25694 4106 1 11 . 1 1 39 39 VAL H H 39 9.056 9.056 8.281 0.775 25694 4107 1 11 . 1 1 40 40 ALA N N 40 127.551 127.551 129.830 -2.279 25694 4108 1 11 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.285 0.047 25694 4109 1 11 . 1 1 40 40 ALA C C 40 175.948 175.948 175.250 0.698 25694 4110 1 11 . 1 1 40 40 ALA CA C 40 50.280 50.280 50.024 0.256 25694 4111 1 11 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.502 0.561 25694 4112 1 11 . 1 1 40 40 ALA H H 40 9.335 9.335 9.454 -0.119 25694 4113 1 11 . 1 1 41 41 ARG N N 41 118.658 118.658 120.196 -1.538 25694 4114 1 11 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.450 -0.231 25694 4115 1 11 . 1 1 41 41 ARG C C 41 176.310 176.310 175.971 0.339 25694 4116 1 11 . 1 1 41 41 ARG CA C 41 54.100 54.100 52.932 1.168 25694 4117 1 11 . 1 1 41 41 ARG CB C 41 32.428 32.428 32.183 0.245 25694 4118 1 11 . 1 1 41 41 ARG H H 41 8.511 8.511 9.026 -0.515 25694 4119 1 11 . 1 1 42 42 LEU N N 42 125.307 125.307 124.992 0.315 25694 4120 1 11 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.716 0.210 25694 4121 1 11 . 1 1 42 42 LEU C C 42 178.475 178.475 178.387 0.088 25694 4122 1 11 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.555 -1.226 25694 4123 1 11 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.000 -0.503 25694 4124 1 11 . 1 1 42 42 LEU H H 42 9.038 9.038 8.949 0.089 25694 4125 1 11 . 1 1 43 43 LYS N N 43 120.597 120.597 122.426 -1.829 25694 4126 1 11 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.954 -0.121 25694 4127 1 11 . 1 1 43 43 LYS C C 43 178.342 178.342 178.818 -0.476 25694 4128 1 11 . 1 1 43 43 LYS CA C 43 59.340 59.340 60.204 -0.864 25694 4129 1 11 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.512 0.933 25694 4130 1 11 . 1 1 43 43 LYS H H 43 8.480 8.480 8.764 -0.284 25694 4131 1 11 . 1 1 44 44 ASN N N 44 114.812 114.812 116.341 -1.529 25694 4132 1 11 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.517 -0.041 25694 4133 1 11 . 1 1 44 44 ASN C C 44 176.032 176.032 176.554 -0.522 25694 4134 1 11 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.445 0.335 25694 4135 1 11 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.939 -0.432 25694 4136 1 11 . 1 1 44 44 ASN H H 44 8.725 8.725 8.504 0.221 25694 4137 1 11 . 1 1 45 45 ASN N N 45 115.093 115.093 117.861 -2.768 25694 4138 1 11 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.593 0.145 25694 4139 1 11 . 1 1 45 45 ASN C C 45 175.513 175.513 175.061 0.452 25694 4140 1 11 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.883 -0.114 25694 4141 1 11 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.976 0.235 25694 4142 1 11 . 1 1 45 45 ASN H H 45 7.519 7.519 8.031 -0.512 25694 4143 1 11 . 1 1 46 46 ASN N N 46 116.121 116.121 116.735 -0.614 25694 4144 1 11 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.472 0.197 25694 4145 1 11 . 1 1 46 46 ASN C C 46 174.816 174.816 173.375 1.441 25694 4146 1 11 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.370 0.430 25694 4147 1 11 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.332 1.947 25694 4148 1 11 . 1 1 46 46 ASN H H 46 8.033 8.033 8.396 -0.363 25694 4149 1 11 . 1 1 47 47 ARG N N 47 119.917 119.917 118.548 1.369 25694 4150 1 11 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.654 -0.401 25694 4151 1 11 . 1 1 47 47 ARG C C 47 175.845 175.845 174.055 1.790 25694 4152 1 11 . 1 1 47 47 ARG CA C 47 57.084 57.084 53.748 3.336 25694 4153 1 11 . 1 1 47 47 ARG CB C 47 31.785 31.785 32.969 -1.184 25694 4154 1 11 . 1 1 47 47 ARG H H 47 7.981 7.981 7.971 0.010 25694 4155 1 11 . 1 1 48 48 GLN N N 48 123.497 123.497 123.460 0.037 25694 4156 1 11 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.291 -0.049 25694 4157 1 11 . 1 1 48 48 GLN C C 48 175.629 175.629 174.973 0.656 25694 4158 1 11 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.554 0.225 25694 4159 1 11 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.395 0.795 25694 4160 1 11 . 1 1 48 48 GLN H H 48 8.737 8.737 8.622 0.115 25694 4161 1 11 . 1 1 49 49 VAL N N 49 119.819 119.819 124.897 -5.078 25694 4162 1 11 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.591 0.182 25694 4163 1 11 . 1 1 49 49 VAL C C 49 174.235 174.235 173.592 0.643 25694 4164 1 11 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.607 -1.341 25694 4165 1 11 . 1 1 49 49 VAL CB C 49 36.000 36.000 35.939 0.061 25694 4166 1 11 . 1 1 49 49 VAL H H 49 9.150 9.150 9.078 0.072 25694 4167 1 11 . 1 1 50 50 CYS N N 50 120.721 120.721 125.337 -4.616 25694 4168 1 11 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.584 0.069 25694 4169 1 11 . 1 1 50 50 CYS C C 50 174.078 174.078 174.937 -0.859 25694 4170 1 11 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.689 -1.261 25694 4171 1 11 . 1 1 50 50 CYS CB C 50 45.270 45.270 27.758 17.512 25694 4172 1 11 . 1 1 50 50 CYS H H 50 8.854 8.854 8.717 0.137 25694 4173 1 11 . 1 1 51 51 ILE N N 51 124.038 124.038 123.800 0.238 25694 4174 1 11 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.376 0.134 25694 4175 1 11 . 1 1 51 51 ILE C C 51 174.775 174.775 174.541 0.234 25694 4176 1 11 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.678 -1.378 25694 4177 1 11 . 1 1 51 51 ILE CB C 51 39.603 39.603 39.830 -0.227 25694 4178 1 11 . 1 1 51 51 ILE H H 51 8.934 8.934 9.109 -0.175 25694 4179 1 11 . 1 1 52 52 ASP N N 52 127.393 127.393 126.406 0.987 25694 4180 1 11 . 1 1 52 52 ASP HA H 52 3.745 3.745 3.986 -0.241 25694 4181 1 11 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.824 0.066 25694 4182 1 11 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.578 0.584 25694 4183 1 11 . 1 1 52 52 ASP H H 52 8.098 8.098 8.081 0.017 25694 4184 1 11 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.165 -0.080 25694 4185 1 11 . 1 1 53 53 PRO C C 53 176.500 176.500 176.295 0.205 25694 4186 1 11 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.670 0.840 25694 4187 1 11 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.548 0.724 25694 4188 1 11 . 1 1 54 54 LYS N N 54 116.899 116.899 117.099 -0.200 25694 4189 1 11 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.322 -0.117 25694 4190 1 11 . 1 1 54 54 LYS C C 54 176.791 176.791 177.203 -0.412 25694 4191 1 11 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.987 -0.287 25694 4192 1 11 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.401 -1.601 25694 4193 1 11 . 1 1 54 54 LYS H H 54 8.129 8.129 8.329 -0.200 25694 4194 1 11 . 1 1 55 55 CYS N N 55 119.988 119.988 117.696 2.292 25694 4195 1 11 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.359 0.038 25694 4196 1 11 . 1 1 55 55 CYS CA C 55 57.075 57.075 57.535 -0.460 25694 4197 1 11 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.709 12.835 25694 4198 1 11 . 1 1 55 55 CYS H H 55 7.989 7.989 7.313 0.676 25694 4199 1 11 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.197 -0.070 25694 4200 1 11 . 1 1 56 56 LYS C C 56 178.326 178.326 178.667 -0.341 25694 4201 1 11 . 1 1 56 56 LYS CA C 56 60.600 60.600 58.638 1.962 25694 4202 1 11 . 1 1 56 56 LYS CB C 56 32.800 32.800 33.146 -0.346 25694 4203 1 11 . 1 1 57 57 TRP N N 57 114.860 114.860 118.222 -3.362 25694 4204 1 11 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.630 0.275 25694 4205 1 11 . 1 1 57 57 TRP C C 57 177.803 177.803 177.407 0.396 25694 4206 1 11 . 1 1 57 57 TRP CA C 57 56.240 56.240 58.230 -1.990 25694 4207 1 11 . 1 1 57 57 TRP CB C 57 28.925 28.925 28.130 0.795 25694 4208 1 11 . 1 1 57 57 TRP H H 57 7.274 7.274 8.005 -0.731 25694 4209 1 11 . 1 1 58 58 CYS N N 58 121.960 121.960 117.038 4.922 25694 4210 1 11 . 1 1 58 58 CYS HA H 58 3.917 3.917 4.275 -0.358 25694 4211 1 11 . 1 1 58 58 CYS C C 58 175.480 175.480 177.167 -1.687 25694 4212 1 11 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.210 4.625 25694 4213 1 11 . 1 1 58 58 CYS CB C 58 36.367 36.367 26.062 10.305 25694 4214 1 11 . 1 1 58 58 CYS H H 58 7.780 7.780 7.500 0.280 25694 4215 1 11 . 1 1 59 59 GLN N N 59 119.203 119.203 119.977 -0.774 25694 4216 1 11 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.911 0.036 25694 4217 1 11 . 1 1 59 59 GLN C C 59 178.152 178.152 178.647 -0.495 25694 4218 1 11 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.888 0.775 25694 4219 1 11 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.612 0.360 25694 4220 1 11 . 1 1 59 59 GLN H H 59 8.073 8.073 7.891 0.182 25694 4221 1 11 . 1 1 60 60 GLU N N 60 118.831 118.831 119.064 -0.233 25694 4222 1 11 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.136 -0.015 25694 4223 1 11 . 1 1 60 60 GLU C C 60 178.367 178.367 178.962 -0.595 25694 4224 1 11 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.940 0.400 25694 4225 1 11 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.279 0.617 25694 4226 1 11 . 1 1 60 60 GLU H H 60 8.085 8.085 7.988 0.097 25694 4227 1 11 . 1 1 61 61 TYR N N 61 118.802 118.802 121.367 -2.565 25694 4228 1 11 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.247 0.083 25694 4229 1 11 . 1 1 61 61 TYR C C 61 177.629 177.629 177.402 0.227 25694 4230 1 11 . 1 1 61 61 TYR CA C 61 61.281 61.281 61.283 -0.002 25694 4231 1 11 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.336 0.620 25694 4232 1 11 . 1 1 61 61 TYR H H 61 7.666 7.666 7.638 0.028 25694 4233 1 11 . 1 1 62 62 LEU N N 62 119.351 119.351 119.287 0.064 25694 4234 1 11 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.266 0.601 25694 4235 1 11 . 1 1 62 62 LEU C C 62 178.724 178.724 179.313 -0.589 25694 4236 1 11 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.565 0.054 25694 4237 1 11 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.450 0.739 25694 4238 1 11 . 1 1 62 62 LEU H H 62 8.275 8.275 8.597 -0.322 25694 4239 1 11 . 1 1 63 63 GLU N N 63 118.049 118.049 117.292 0.757 25694 4240 1 11 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.092 -0.095 25694 4241 1 11 . 1 1 63 63 GLU C C 63 178.649 178.649 178.179 0.470 25694 4242 1 11 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.400 0.743 25694 4243 1 11 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.478 0.418 25694 4244 1 11 . 1 1 63 63 GLU H H 63 8.066 8.066 7.874 0.192 25694 4245 1 11 . 1 1 64 64 LYS N N 64 117.297 117.297 118.228 -0.931 25694 4246 1 11 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.231 -0.003 25694 4247 1 11 . 1 1 64 64 LYS C C 64 178.085 178.085 178.871 -0.786 25694 4248 1 11 . 1 1 64 64 LYS CA C 64 57.820 57.820 58.167 -0.347 25694 4249 1 11 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.568 0.240 25694 4250 1 11 . 1 1 64 64 LYS H H 64 7.572 7.572 7.518 0.054 25694 4251 1 11 . 1 1 65 65 ALA N N 65 121.570 121.570 122.795 -1.225 25694 4252 1 11 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.440 -0.266 25694 4253 1 11 . 1 1 65 65 ALA C C 65 178.707 178.707 179.377 -0.670 25694 4254 1 11 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.453 -0.653 25694 4255 1 11 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.253 1.281 25694 4256 1 11 . 1 1 65 65 ALA H H 65 7.964 7.964 8.192 -0.228 25694 4257 1 11 . 1 1 66 66 LEU N N 66 117.399 117.399 117.376 0.023 25694 4258 1 11 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.967 0.358 25694 4259 1 11 . 1 1 66 66 LEU C C 66 177.264 177.264 177.795 -0.531 25694 4260 1 11 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.641 -1.184 25694 4261 1 11 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.552 0.948 25694 4262 1 11 . 1 1 66 66 LEU H H 66 7.888 7.888 8.148 -0.260 25694 4263 1 11 . 1 1 67 67 ASN N N 67 118.846 118.846 115.412 3.434 25694 4264 1 11 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.809 -0.039 25694 4265 1 11 . 1 1 67 67 ASN C C 67 174.094 174.094 173.960 0.134 25694 4266 1 11 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.587 0.848 25694 4267 1 11 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.317 -0.038 25694 4268 1 11 . 1 1 67 67 ASN H H 67 7.959 7.959 7.609 0.350 25694 4269 1 12 . 1 1 0 0 MET HA H 0 4.501 4.501 4.813 -0.312 25694 4270 1 12 . 1 1 0 0 MET C C 0 176.102 176.102 174.429 1.673 25694 4271 1 12 . 1 1 0 0 MET CA C 0 55.781 55.781 54.998 0.783 25694 4272 1 12 . 1 1 0 0 MET CB C 0 33.455 33.455 34.910 -1.455 25694 4273 1 12 . 1 1 1 1 LYS N N 1 124.708 124.708 122.590 2.118 25694 4274 1 12 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.729 -0.091 25694 4275 1 12 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.614 -0.128 25694 4276 1 12 . 1 1 1 1 LYS CB C 1 32.808 32.808 32.895 -0.087 25694 4277 1 12 . 1 1 1 1 LYS H H 1 8.503 8.503 8.415 0.088 25694 4278 1 12 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.491 -0.007 25694 4279 1 12 . 1 1 2 2 PRO C C 2 177.031 177.031 175.589 1.442 25694 4280 1 12 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.974 0.226 25694 4281 1 12 . 1 1 2 2 PRO CB C 2 32.161 32.161 31.502 0.659 25694 4282 1 12 . 1 1 3 3 VAL N N 3 120.641 120.641 115.740 4.901 25694 4283 1 12 . 1 1 3 3 VAL HA H 3 4.119 4.119 4.410 -0.291 25694 4284 1 12 . 1 1 3 3 VAL C C 3 176.393 176.393 174.838 1.555 25694 4285 1 12 . 1 1 3 3 VAL CA C 3 62.495 62.495 60.985 1.510 25694 4286 1 12 . 1 1 3 3 VAL CB C 3 33.100 33.100 34.050 -0.950 25694 4287 1 12 . 1 1 3 3 VAL H H 3 8.290 8.290 7.479 0.811 25694 4288 1 12 . 1 1 4 4 SER N N 4 119.097 119.097 118.265 0.832 25694 4289 1 12 . 1 1 4 4 SER HA H 4 4.470 4.470 4.694 -0.224 25694 4290 1 12 . 1 1 4 4 SER C C 4 174.617 174.617 173.984 0.633 25694 4291 1 12 . 1 1 4 4 SER CA C 4 58.369 58.369 58.352 0.017 25694 4292 1 12 . 1 1 4 4 SER CB C 4 64.187 64.187 63.685 0.502 25694 4293 1 12 . 1 1 4 4 SER H H 4 8.349 8.349 8.389 -0.040 25694 4294 1 12 . 1 1 5 5 LEU N N 5 124.723 124.723 124.857 -0.134 25694 4295 1 12 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.605 -0.225 25694 4296 1 12 . 1 1 5 5 LEU C C 5 177.355 177.355 177.004 0.351 25694 4297 1 12 . 1 1 5 5 LEU CA C 5 55.388 55.388 54.866 0.522 25694 4298 1 12 . 1 1 5 5 LEU CB C 5 42.515 42.515 42.748 -0.233 25694 4299 1 12 . 1 1 5 5 LEU H H 5 8.339 8.339 8.104 0.235 25694 4300 1 12 . 1 1 6 6 SER N N 6 115.926 115.926 115.525 0.401 25694 4301 1 12 . 1 1 6 6 SER HA H 6 4.414 4.414 4.327 0.087 25694 4302 1 12 . 1 1 6 6 SER C C 6 174.235 174.235 173.524 0.711 25694 4303 1 12 . 1 1 6 6 SER CA C 6 58.369 58.369 59.093 -0.724 25694 4304 1 12 . 1 1 6 6 SER CB C 6 64.187 64.187 62.918 1.269 25694 4305 1 12 . 1 1 6 6 SER H H 6 8.199 8.199 8.625 -0.426 25694 4306 1 12 . 1 1 7 7 TYR N N 7 122.124 122.124 121.158 0.966 25694 4307 1 12 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.754 -0.178 25694 4308 1 12 . 1 1 7 7 TYR C C 7 175.530 175.530 175.839 -0.309 25694 4309 1 12 . 1 1 7 7 TYR CA C 7 58.008 58.008 57.625 0.383 25694 4310 1 12 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.845 0.124 25694 4311 1 12 . 1 1 7 7 TYR H H 7 8.049 8.049 8.019 0.030 25694 4312 1 12 . 1 1 8 8 ARG N N 8 121.947 121.947 117.556 4.391 25694 4313 1 12 . 1 1 8 8 ARG HA H 8 4.326 4.326 3.704 0.622 25694 4314 1 12 . 1 1 8 8 ARG C C 8 175.845 175.845 174.728 1.117 25694 4315 1 12 . 1 1 8 8 ARG CA C 8 56.104 56.104 58.723 -2.619 25694 4316 1 12 . 1 1 8 8 ARG CB C 8 31.100 31.100 28.739 2.361 25694 4317 1 12 . 1 1 8 8 ARG H H 8 8.177 8.177 7.795 0.382 25694 4318 1 12 . 1 1 9 9 CYS N N 9 120.943 120.943 119.187 1.756 25694 4319 1 12 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.818 0.136 25694 4320 1 12 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.272 -3.145 25694 4321 1 12 . 1 1 9 9 CYS CB C 9 40.218 40.218 28.865 11.353 25694 4322 1 12 . 1 1 9 9 CYS H H 9 8.173 8.173 8.065 0.108 25694 4323 1 12 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.533 -0.181 25694 4324 1 12 . 1 1 10 10 PRO C C 10 177.347 177.347 176.257 1.090 25694 4325 1 12 . 1 1 10 10 PRO CA C 10 64.859 64.859 64.671 0.188 25694 4326 1 12 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.128 0.380 25694 4327 1 12 . 1 1 11 11 CYS N N 11 114.096 114.096 113.071 1.025 25694 4328 1 12 . 1 1 11 11 CYS HA H 11 4.725 4.725 5.027 -0.302 25694 4329 1 12 . 1 1 11 11 CYS CA C 11 53.429 53.429 56.854 -3.425 25694 4330 1 12 . 1 1 11 11 CYS CB C 11 39.279 39.279 31.682 7.597 25694 4331 1 12 . 1 1 11 11 CYS H H 11 8.232 8.232 7.881 0.351 25694 4332 1 12 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.114 -0.045 25694 4333 1 12 . 1 1 12 12 ARG C C 12 175.106 175.106 175.368 -0.262 25694 4334 1 12 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.464 0.536 25694 4335 1 12 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.381 1.119 25694 4336 1 12 . 1 1 13 13 PHE N N 13 116.259 116.259 119.312 -3.053 25694 4337 1 12 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.256 0.374 25694 4338 1 12 . 1 1 13 13 PHE C C 13 174.227 174.227 173.981 0.246 25694 4339 1 12 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.746 -0.775 25694 4340 1 12 . 1 1 13 13 PHE CB C 13 41.059 41.059 40.862 0.197 25694 4341 1 12 . 1 1 13 13 PHE H H 13 7.572 7.572 7.480 0.092 25694 4342 1 12 . 1 1 14 14 PHE N N 14 119.623 119.623 118.358 1.265 25694 4343 1 12 . 1 1 14 14 PHE HA H 14 4.936 4.936 5.045 -0.109 25694 4344 1 12 . 1 1 14 14 PHE C C 14 175.496 175.496 175.894 -0.398 25694 4345 1 12 . 1 1 14 14 PHE CA C 14 56.147 56.147 55.337 0.810 25694 4346 1 12 . 1 1 14 14 PHE CB C 14 41.544 41.544 41.449 0.095 25694 4347 1 12 . 1 1 14 14 PHE H H 14 8.450 8.450 8.396 0.054 25694 4348 1 12 . 1 1 15 15 GLU N N 15 122.147 122.147 122.527 -0.380 25694 4349 1 12 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.862 -0.227 25694 4350 1 12 . 1 1 15 15 GLU C C 15 176.990 176.990 175.831 1.159 25694 4351 1 12 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.806 0.974 25694 4352 1 12 . 1 1 15 15 GLU CB C 15 31.109 31.109 31.944 -0.835 25694 4353 1 12 . 1 1 15 15 GLU H H 15 8.956 8.956 9.141 -0.185 25694 4354 1 12 . 1 1 16 16 SER N N 16 119.943 119.943 119.699 0.244 25694 4355 1 12 . 1 1 16 16 SER HA H 16 4.598 4.598 4.656 -0.058 25694 4356 1 12 . 1 1 16 16 SER C C 16 174.385 174.385 173.979 0.406 25694 4357 1 12 . 1 1 16 16 SER CA C 16 59.799 59.799 57.832 1.967 25694 4358 1 12 . 1 1 16 16 SER CB C 16 64.517 64.517 64.511 0.006 25694 4359 1 12 . 1 1 16 16 SER H H 16 8.943 8.943 8.869 0.074 25694 4360 1 12 . 1 1 17 17 HIS N N 17 119.124 119.124 115.244 3.880 25694 4361 1 12 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.401 0.299 25694 4362 1 12 . 1 1 17 17 HIS C C 17 174.567 174.567 173.789 0.778 25694 4363 1 12 . 1 1 17 17 HIS CA C 17 56.751 56.751 56.894 -0.143 25694 4364 1 12 . 1 1 17 17 HIS CB C 17 29.896 29.896 28.268 1.628 25694 4365 1 12 . 1 1 17 17 HIS H H 17 8.649 8.649 8.389 0.260 25694 4366 1 12 . 1 1 18 18 VAL N N 18 121.960 121.960 120.465 1.495 25694 4367 1 12 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.185 -0.028 25694 4368 1 12 . 1 1 18 18 VAL C C 18 175.140 175.140 174.870 0.270 25694 4369 1 12 . 1 1 18 18 VAL CA C 18 61.928 61.928 62.214 -0.285 25694 4370 1 12 . 1 1 18 18 VAL CB C 18 33.700 33.700 32.238 1.462 25694 4371 1 12 . 1 1 18 18 VAL H H 18 7.876 7.876 7.897 -0.021 25694 4372 1 12 . 1 1 19 19 ALA N N 19 132.226 132.226 129.584 2.642 25694 4373 1 12 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.709 -0.194 25694 4374 1 12 . 1 1 19 19 ALA C C 19 178.060 178.060 177.388 0.672 25694 4375 1 12 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.584 0.916 25694 4376 1 12 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.288 -1.404 25694 4377 1 12 . 1 1 19 19 ALA H H 19 8.843 8.843 8.749 0.094 25694 4378 1 12 . 1 1 20 20 ARG N N 20 125.791 125.791 124.167 1.624 25694 4379 1 12 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.220 -0.383 25694 4380 1 12 . 1 1 20 20 ARG C C 20 178.459 178.459 177.292 1.167 25694 4381 1 12 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.371 0.268 25694 4382 1 12 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.464 -0.539 25694 4383 1 12 . 1 1 20 20 ARG H H 20 8.196 8.196 8.598 -0.402 25694 4384 1 12 . 1 1 21 21 ALA N N 21 117.396 117.396 119.413 -2.017 25694 4385 1 12 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.166 -0.084 25694 4386 1 12 . 1 1 21 21 ALA C C 21 177.745 177.745 177.223 0.522 25694 4387 1 12 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.526 0.283 25694 4388 1 12 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.783 0.101 25694 4389 1 12 . 1 1 21 21 ALA H H 21 8.309 8.309 8.139 0.170 25694 4390 1 12 . 1 1 22 22 ASN N N 22 113.201 113.201 114.257 -1.056 25694 4391 1 12 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.767 0.207 25694 4392 1 12 . 1 1 22 22 ASN C C 22 174.999 174.999 174.063 0.936 25694 4393 1 12 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.544 0.046 25694 4394 1 12 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.428 0.472 25694 4395 1 12 . 1 1 22 22 ASN H H 22 7.796 7.796 8.136 -0.340 25694 4396 1 12 . 1 1 23 23 VAL N N 23 117.829 117.829 115.060 2.769 25694 4397 1 12 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.954 -0.466 25694 4398 1 12 . 1 1 23 23 VAL C C 23 174.393 174.393 175.373 -0.980 25694 4399 1 12 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.501 1.749 25694 4400 1 12 . 1 1 23 23 VAL CB C 23 33.700 33.700 33.671 0.029 25694 4401 1 12 . 1 1 23 23 VAL H H 23 7.477 7.477 7.021 0.456 25694 4402 1 12 . 1 1 24 24 LYS N N 24 123.962 123.962 122.923 1.039 25694 4403 1 12 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.499 -0.019 25694 4404 1 12 . 1 1 24 24 LYS C C 24 175.090 175.090 176.744 -1.654 25694 4405 1 12 . 1 1 24 24 LYS CA C 24 56.104 56.104 55.888 0.216 25694 4406 1 12 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.160 2.236 25694 4407 1 12 . 1 1 24 24 LYS H H 24 9.276 9.276 8.804 0.472 25694 4408 1 12 . 1 1 25 25 HIS N N 25 115.921 115.921 118.193 -2.272 25694 4409 1 12 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.690 0.013 25694 4410 1 12 . 1 1 25 25 HIS C C 25 173.364 173.364 172.355 1.009 25694 4411 1 12 . 1 1 25 25 HIS CA C 25 55.781 55.781 55.803 -0.022 25694 4412 1 12 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.707 -0.546 25694 4413 1 12 . 1 1 25 25 HIS H H 25 7.964 7.964 7.609 0.355 25694 4414 1 12 . 1 1 26 26 LEU N N 26 122.215 122.215 125.481 -3.266 25694 4415 1 12 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.093 -0.125 25694 4416 1 12 . 1 1 26 26 LEU C C 26 175.720 175.720 174.679 1.041 25694 4417 1 12 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.370 2.087 25694 4418 1 12 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.813 -0.219 25694 4419 1 12 . 1 1 26 26 LEU H H 26 8.076 8.076 8.338 -0.262 25694 4420 1 12 . 1 1 27 27 LYS N N 27 122.738 122.738 123.788 -1.050 25694 4421 1 12 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.714 0.055 25694 4422 1 12 . 1 1 27 27 LYS C C 27 173.953 173.953 174.389 -0.436 25694 4423 1 12 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.174 0.956 25694 4424 1 12 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.855 0.445 25694 4425 1 12 . 1 1 27 27 LYS H H 27 9.113 9.113 9.040 0.073 25694 4426 1 12 . 1 1 28 28 ILE N N 28 122.212 122.212 124.086 -1.874 25694 4427 1 12 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.653 0.123 25694 4428 1 12 . 1 1 28 28 ILE C C 28 175.895 175.895 174.884 1.011 25694 4429 1 12 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.900 0.300 25694 4430 1 12 . 1 1 28 28 ILE CB C 28 39.200 39.200 39.263 -0.063 25694 4431 1 12 . 1 1 28 28 ILE H H 28 8.535 8.535 8.656 -0.121 25694 4432 1 12 . 1 1 29 29 LEU N N 29 128.977 128.977 131.882 -2.905 25694 4433 1 12 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.703 0.012 25694 4434 1 12 . 1 1 29 29 LEU C C 29 175.438 175.438 175.418 0.020 25694 4435 1 12 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.475 0.625 25694 4436 1 12 . 1 1 29 29 LEU CB C 29 44.132 44.132 40.361 3.772 25694 4437 1 12 . 1 1 29 29 LEU H H 29 9.137 9.137 8.608 0.529 25694 4438 1 12 . 1 1 30 30 ASN N N 30 124.331 124.331 120.537 3.794 25694 4439 1 12 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.842 0.303 25694 4440 1 12 . 1 1 30 30 ASN C C 30 174.335 174.335 175.241 -0.906 25694 4441 1 12 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.142 1.271 25694 4442 1 12 . 1 1 30 30 ASN CB C 30 39.600 39.600 37.870 1.730 25694 4443 1 12 . 1 1 30 30 ASN H H 30 8.824 8.824 8.253 0.571 25694 4444 1 12 . 1 1 31 31 THR N N 31 118.685 118.685 113.674 5.011 25694 4445 1 12 . 1 1 31 31 THR HA H 31 4.796 4.796 4.398 0.398 25694 4446 1 12 . 1 1 31 31 THR CA C 31 59.600 59.600 60.883 -1.283 25694 4447 1 12 . 1 1 31 31 THR CB C 31 70.459 70.459 68.409 2.050 25694 4448 1 12 . 1 1 31 31 THR H H 31 8.456 8.456 7.475 0.981 25694 4449 1 12 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.335 -0.045 25694 4450 1 12 . 1 1 32 32 PRO C C 32 177.197 177.197 177.249 -0.052 25694 4451 1 12 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.903 -0.062 25694 4452 1 12 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.633 0.537 25694 4453 1 12 . 1 1 33 33 ASN N N 33 112.484 112.484 113.604 -1.120 25694 4454 1 12 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.685 -0.203 25694 4455 1 12 . 1 1 33 33 ASN C C 33 174.526 174.526 175.170 -0.644 25694 4456 1 12 . 1 1 33 33 ASN CA C 33 54.945 54.945 54.014 0.931 25694 4457 1 12 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.617 0.015 25694 4458 1 12 . 1 1 33 33 ASN H H 33 8.470 8.470 8.455 0.015 25694 4459 1 12 . 1 1 34 34 CYS N N 34 116.720 116.720 118.042 -1.322 25694 4460 1 12 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.598 0.329 25694 4461 1 12 . 1 1 34 34 CYS C C 34 173.762 173.762 173.457 0.305 25694 4462 1 12 . 1 1 34 34 CYS CA C 34 54.810 54.810 57.922 -3.112 25694 4463 1 12 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.736 14.364 25694 4464 1 12 . 1 1 34 34 CYS H H 34 7.663 7.663 7.542 0.121 25694 4465 1 12 . 1 1 35 35 ALA N N 35 125.254 125.254 121.787 3.467 25694 4466 1 12 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.621 -0.324 25694 4467 1 12 . 1 1 35 35 ALA C C 35 176.882 176.882 175.141 1.741 25694 4468 1 12 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.269 1.144 25694 4469 1 12 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.901 -1.933 25694 4470 1 12 . 1 1 35 35 ALA H H 35 8.449 8.449 8.180 0.269 25694 4471 1 12 . 1 1 36 36 LEU N N 36 122.078 122.078 121.594 0.484 25694 4472 1 12 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.894 -0.493 25694 4473 1 12 . 1 1 36 36 LEU C C 36 176.442 176.442 176.004 0.438 25694 4474 1 12 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.827 1.924 25694 4475 1 12 . 1 1 36 36 LEU CB C 36 42.465 42.465 41.544 0.921 25694 4476 1 12 . 1 1 36 36 LEU H H 36 8.073 8.073 8.334 -0.261 25694 4477 1 12 . 1 1 37 37 GLN N N 37 121.790 121.790 125.393 -3.603 25694 4478 1 12 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.442 0.306 25694 4479 1 12 . 1 1 37 37 GLN C C 37 173.804 173.804 174.616 -0.812 25694 4480 1 12 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.097 0.303 25694 4481 1 12 . 1 1 37 37 GLN CB C 37 32.463 32.463 33.385 -0.922 25694 4482 1 12 . 1 1 37 37 GLN H H 37 8.397 8.397 9.132 -0.735 25694 4483 1 12 . 1 1 38 38 ILE N N 38 123.702 123.702 123.104 0.598 25694 4484 1 12 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.729 0.016 25694 4485 1 12 . 1 1 38 38 ILE C C 38 174.808 174.808 175.015 -0.207 25694 4486 1 12 . 1 1 38 38 ILE CA C 38 60.950 60.950 58.529 2.421 25694 4487 1 12 . 1 1 38 38 ILE CB C 38 39.600 39.600 37.455 2.145 25694 4488 1 12 . 1 1 38 38 ILE H H 38 9.213 9.213 7.983 1.230 25694 4489 1 12 . 1 1 39 39 VAL N N 39 125.930 125.930 129.510 -3.580 25694 4490 1 12 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.641 0.375 25694 4491 1 12 . 1 1 39 39 VAL C C 39 174.741 174.741 173.811 0.930 25694 4492 1 12 . 1 1 39 39 VAL CA C 39 60.950 60.950 61.200 -0.251 25694 4493 1 12 . 1 1 39 39 VAL CB C 39 34.426 34.426 33.506 0.920 25694 4494 1 12 . 1 1 39 39 VAL H H 39 9.056 9.056 9.016 0.040 25694 4495 1 12 . 1 1 40 40 ALA N N 40 127.551 127.551 130.115 -2.564 25694 4496 1 12 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.255 0.077 25694 4497 1 12 . 1 1 40 40 ALA C C 40 175.948 175.948 175.380 0.568 25694 4498 1 12 . 1 1 40 40 ALA CA C 40 50.280 50.280 50.275 0.005 25694 4499 1 12 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.336 0.727 25694 4500 1 12 . 1 1 40 40 ALA H H 40 9.335 9.335 9.448 -0.113 25694 4501 1 12 . 1 1 41 41 ARG N N 41 118.658 118.658 121.733 -3.075 25694 4502 1 12 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.097 0.122 25694 4503 1 12 . 1 1 41 41 ARG C C 41 176.310 176.310 175.421 0.889 25694 4504 1 12 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.561 0.539 25694 4505 1 12 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.258 1.170 25694 4506 1 12 . 1 1 41 41 ARG H H 41 8.511 8.511 8.971 -0.460 25694 4507 1 12 . 1 1 42 42 LEU N N 42 125.307 125.307 125.984 -0.677 25694 4508 1 12 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.720 0.206 25694 4509 1 12 . 1 1 42 42 LEU C C 42 178.475 178.475 178.433 0.042 25694 4510 1 12 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.607 -1.278 25694 4511 1 12 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.017 -0.520 25694 4512 1 12 . 1 1 42 42 LEU H H 42 9.038 9.038 9.055 -0.017 25694 4513 1 12 . 1 1 43 43 LYS N N 43 120.597 120.597 124.865 -4.268 25694 4514 1 12 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.939 -0.106 25694 4515 1 12 . 1 1 43 43 LYS C C 43 178.342 178.342 178.830 -0.488 25694 4516 1 12 . 1 1 43 43 LYS CA C 43 59.340 59.340 60.499 -1.159 25694 4517 1 12 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.473 0.972 25694 4518 1 12 . 1 1 43 43 LYS H H 43 8.480 8.480 8.649 -0.169 25694 4519 1 12 . 1 1 44 44 ASN N N 44 114.812 114.812 116.635 -1.823 25694 4520 1 12 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.556 -0.080 25694 4521 1 12 . 1 1 44 44 ASN C C 44 176.032 176.032 176.872 -0.840 25694 4522 1 12 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.207 0.573 25694 4523 1 12 . 1 1 44 44 ASN CB C 44 37.507 37.507 38.300 -0.793 25694 4524 1 12 . 1 1 44 44 ASN H H 44 8.725 8.725 8.340 0.385 25694 4525 1 12 . 1 1 45 45 ASN N N 45 115.093 115.093 118.013 -2.920 25694 4526 1 12 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.548 0.190 25694 4527 1 12 . 1 1 45 45 ASN C C 45 175.513 175.513 175.097 0.416 25694 4528 1 12 . 1 1 45 45 ASN CA C 45 52.769 52.769 53.058 -0.289 25694 4529 1 12 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.492 0.719 25694 4530 1 12 . 1 1 45 45 ASN H H 45 7.519 7.519 8.414 -0.895 25694 4531 1 12 . 1 1 46 46 ASN N N 46 116.121 116.121 113.675 2.446 25694 4532 1 12 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.501 0.168 25694 4533 1 12 . 1 1 46 46 ASN C C 46 174.816 174.816 173.847 0.969 25694 4534 1 12 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.758 0.042 25694 4535 1 12 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.267 2.012 25694 4536 1 12 . 1 1 46 46 ASN H H 46 8.033 8.033 7.615 0.418 25694 4537 1 12 . 1 1 47 47 ARG N N 47 119.917 119.917 118.785 1.132 25694 4538 1 12 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.485 -0.232 25694 4539 1 12 . 1 1 47 47 ARG C C 47 175.845 175.845 175.048 0.797 25694 4540 1 12 . 1 1 47 47 ARG CA C 47 57.084 57.084 55.609 1.475 25694 4541 1 12 . 1 1 47 47 ARG CB C 47 31.785 31.785 31.350 0.435 25694 4542 1 12 . 1 1 47 47 ARG H H 47 7.981 7.981 7.848 0.133 25694 4543 1 12 . 1 1 48 48 GLN N N 48 123.497 123.497 123.416 0.081 25694 4544 1 12 . 1 1 48 48 GLN HA H 48 5.242 5.242 4.712 0.530 25694 4545 1 12 . 1 1 48 48 GLN C C 48 175.629 175.629 175.068 0.561 25694 4546 1 12 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.402 0.378 25694 4547 1 12 . 1 1 48 48 GLN CB C 48 31.190 31.190 28.879 2.311 25694 4548 1 12 . 1 1 48 48 GLN H H 48 8.737 8.737 8.471 0.266 25694 4549 1 12 . 1 1 49 49 VAL N N 49 119.819 119.819 125.227 -5.408 25694 4550 1 12 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.438 0.335 25694 4551 1 12 . 1 1 49 49 VAL C C 49 174.235 174.235 173.331 0.904 25694 4552 1 12 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.552 -1.286 25694 4553 1 12 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.752 -0.752 25694 4554 1 12 . 1 1 49 49 VAL H H 49 9.150 9.150 9.106 0.044 25694 4555 1 12 . 1 1 50 50 CYS N N 50 120.721 120.721 123.163 -2.442 25694 4556 1 12 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.543 0.110 25694 4557 1 12 . 1 1 50 50 CYS C C 50 174.078 174.078 175.190 -1.112 25694 4558 1 12 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.957 -1.529 25694 4559 1 12 . 1 1 50 50 CYS CB C 50 45.270 45.270 28.299 16.971 25694 4560 1 12 . 1 1 50 50 CYS H H 50 8.854 8.854 8.996 -0.142 25694 4561 1 12 . 1 1 51 51 ILE N N 51 124.038 124.038 122.795 1.243 25694 4562 1 12 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.895 -0.385 25694 4563 1 12 . 1 1 51 51 ILE C C 51 174.775 174.775 175.082 -0.307 25694 4564 1 12 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.183 -0.883 25694 4565 1 12 . 1 1 51 51 ILE CB C 51 39.603 39.603 39.989 -0.386 25694 4566 1 12 . 1 1 51 51 ILE H H 51 8.934 8.934 9.168 -0.234 25694 4567 1 12 . 1 1 52 52 ASP N N 52 127.393 127.393 123.956 3.437 25694 4568 1 12 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.395 -0.650 25694 4569 1 12 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.494 0.396 25694 4570 1 12 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.825 0.337 25694 4571 1 12 . 1 1 52 52 ASP H H 52 8.098 8.098 8.048 0.050 25694 4572 1 12 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.201 -0.116 25694 4573 1 12 . 1 1 53 53 PRO C C 53 176.500 176.500 176.304 0.196 25694 4574 1 12 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.300 1.210 25694 4575 1 12 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.240 1.032 25694 4576 1 12 . 1 1 54 54 LYS N N 54 116.899 116.899 117.486 -0.587 25694 4577 1 12 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.315 -0.110 25694 4578 1 12 . 1 1 54 54 LYS C C 54 176.791 176.791 177.294 -0.503 25694 4579 1 12 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.975 -0.275 25694 4580 1 12 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.347 -1.547 25694 4581 1 12 . 1 1 54 54 LYS H H 54 8.129 8.129 7.660 0.469 25694 4582 1 12 . 1 1 55 55 CYS N N 55 119.988 119.988 118.133 1.855 25694 4583 1 12 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.284 0.113 25694 4584 1 12 . 1 1 55 55 CYS CA C 55 57.075 57.075 56.856 0.219 25694 4585 1 12 . 1 1 55 55 CYS CB C 55 41.544 41.544 27.784 13.761 25694 4586 1 12 . 1 1 55 55 CYS H H 55 7.989 7.989 7.389 0.600 25694 4587 1 12 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.528 -0.401 25694 4588 1 12 . 1 1 56 56 LYS C C 56 178.326 178.326 178.607 -0.281 25694 4589 1 12 . 1 1 56 56 LYS CA C 56 60.600 60.600 58.077 2.523 25694 4590 1 12 . 1 1 56 56 LYS CB C 56 32.800 32.800 33.628 -0.828 25694 4591 1 12 . 1 1 57 57 TRP N N 57 114.860 114.860 118.621 -3.761 25694 4592 1 12 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.722 0.183 25694 4593 1 12 . 1 1 57 57 TRP C C 57 177.803 177.803 177.829 -0.026 25694 4594 1 12 . 1 1 57 57 TRP CA C 57 56.240 56.240 58.921 -2.681 25694 4595 1 12 . 1 1 57 57 TRP CB C 57 28.925 28.925 27.710 1.215 25694 4596 1 12 . 1 1 57 57 TRP H H 57 7.274 7.274 8.203 -0.929 25694 4597 1 12 . 1 1 58 58 CYS N N 58 121.960 121.960 116.475 5.485 25694 4598 1 12 . 1 1 58 58 CYS HA H 58 3.917 3.917 4.358 -0.441 25694 4599 1 12 . 1 1 58 58 CYS C C 58 175.480 175.480 177.025 -1.545 25694 4600 1 12 . 1 1 58 58 CYS CA C 58 64.835 64.835 59.536 5.299 25694 4601 1 12 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.917 10.450 25694 4602 1 12 . 1 1 58 58 CYS H H 58 7.780 7.780 7.295 0.485 25694 4603 1 12 . 1 1 59 59 GLN N N 59 119.203 119.203 120.763 -1.560 25694 4604 1 12 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.891 0.056 25694 4605 1 12 . 1 1 59 59 GLN C C 59 178.152 178.152 178.816 -0.664 25694 4606 1 12 . 1 1 59 59 GLN CA C 59 59.663 59.663 59.443 0.220 25694 4607 1 12 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.797 0.175 25694 4608 1 12 . 1 1 59 59 GLN H H 59 8.073 8.073 7.817 0.256 25694 4609 1 12 . 1 1 60 60 GLU N N 60 118.831 118.831 119.228 -0.397 25694 4610 1 12 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.077 0.044 25694 4611 1 12 . 1 1 60 60 GLU C C 60 178.367 178.367 178.985 -0.618 25694 4612 1 12 . 1 1 60 60 GLU CA C 60 59.340 59.340 59.153 0.187 25694 4613 1 12 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.260 0.636 25694 4614 1 12 . 1 1 60 60 GLU H H 60 8.085 8.085 8.458 -0.373 25694 4615 1 12 . 1 1 61 61 TYR N N 61 118.802 118.802 120.961 -2.159 25694 4616 1 12 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.266 0.064 25694 4617 1 12 . 1 1 61 61 TYR C C 61 177.629 177.629 177.261 0.368 25694 4618 1 12 . 1 1 61 61 TYR CA C 61 61.281 61.281 60.988 0.293 25694 4619 1 12 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.288 0.668 25694 4620 1 12 . 1 1 61 61 TYR H H 61 7.666 7.666 7.611 0.055 25694 4621 1 12 . 1 1 62 62 LEU N N 62 119.351 119.351 119.820 -0.469 25694 4622 1 12 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.212 0.655 25694 4623 1 12 . 1 1 62 62 LEU C C 62 178.724 178.724 178.966 -0.242 25694 4624 1 12 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.713 -0.094 25694 4625 1 12 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.462 0.728 25694 4626 1 12 . 1 1 62 62 LEU H H 62 8.275 8.275 8.476 -0.201 25694 4627 1 12 . 1 1 63 63 GLU N N 63 118.049 118.049 116.867 1.182 25694 4628 1 12 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.063 -0.066 25694 4629 1 12 . 1 1 63 63 GLU C C 63 178.649 178.649 178.060 0.589 25694 4630 1 12 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.369 0.774 25694 4631 1 12 . 1 1 63 63 GLU CB C 63 29.896 29.896 28.918 0.978 25694 4632 1 12 . 1 1 63 63 GLU H H 63 8.066 8.066 7.604 0.462 25694 4633 1 12 . 1 1 64 64 LYS N N 64 117.297 117.297 118.157 -0.860 25694 4634 1 12 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.213 0.015 25694 4635 1 12 . 1 1 64 64 LYS C C 64 178.085 178.085 178.739 -0.654 25694 4636 1 12 . 1 1 64 64 LYS CA C 64 57.820 57.820 57.638 0.182 25694 4637 1 12 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.492 0.316 25694 4638 1 12 . 1 1 64 64 LYS H H 64 7.572 7.572 7.496 0.076 25694 4639 1 12 . 1 1 65 65 ALA N N 65 121.570 121.570 122.416 -0.846 25694 4640 1 12 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.120 0.054 25694 4641 1 12 . 1 1 65 65 ALA C C 65 178.707 178.707 179.851 -1.144 25694 4642 1 12 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.580 -0.780 25694 4643 1 12 . 1 1 65 65 ALA CB C 65 19.534 19.534 17.683 1.851 25694 4644 1 12 . 1 1 65 65 ALA H H 65 7.964 7.964 8.322 -0.358 25694 4645 1 12 . 1 1 66 66 LEU N N 66 117.399 117.399 118.575 -1.176 25694 4646 1 12 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.899 0.426 25694 4647 1 12 . 1 1 66 66 LEU C C 66 177.264 177.264 178.467 -1.203 25694 4648 1 12 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.572 -1.115 25694 4649 1 12 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.161 1.339 25694 4650 1 12 . 1 1 66 66 LEU H H 66 7.888 7.888 7.737 0.151 25694 4651 1 12 . 1 1 67 67 ASN N N 67 118.846 118.846 118.084 0.762 25694 4652 1 12 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.512 0.258 25694 4653 1 12 . 1 1 67 67 ASN C C 67 174.094 174.094 175.470 -1.376 25694 4654 1 12 . 1 1 67 67 ASN CA C 67 53.434 53.434 54.143 -0.709 25694 4655 1 12 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.065 0.214 25694 4656 1 12 . 1 1 67 67 ASN H H 67 7.959 7.959 7.965 -0.006 25694 4657 1 13 . 1 1 0 0 MET HA H 0 4.501 4.501 4.397 0.104 25694 4658 1 13 . 1 1 0 0 MET C C 0 176.102 176.102 174.607 1.495 25694 4659 1 13 . 1 1 0 0 MET CA C 0 55.781 55.781 55.708 0.073 25694 4660 1 13 . 1 1 0 0 MET CB C 0 33.455 33.455 33.104 0.351 25694 4661 1 13 . 1 1 1 1 LYS N N 1 124.708 124.708 126.270 -1.562 25694 4662 1 13 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.725 -0.087 25694 4663 1 13 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.220 0.266 25694 4664 1 13 . 1 1 1 1 LYS CB C 1 32.808 32.808 32.919 -0.111 25694 4665 1 13 . 1 1 1 1 LYS H H 1 8.503 8.503 8.204 0.299 25694 4666 1 13 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.452 0.032 25694 4667 1 13 . 1 1 2 2 PRO C C 2 177.031 177.031 177.171 -0.140 25694 4668 1 13 . 1 1 2 2 PRO CA C 2 63.200 63.200 63.096 0.104 25694 4669 1 13 . 1 1 2 2 PRO CB C 2 32.161 32.161 32.139 0.022 25694 4670 1 13 . 1 1 3 3 VAL N N 3 120.641 120.641 117.695 2.946 25694 4671 1 13 . 1 1 3 3 VAL HA H 3 4.119 4.119 3.553 0.566 25694 4672 1 13 . 1 1 3 3 VAL C C 3 176.393 176.393 176.335 0.058 25694 4673 1 13 . 1 1 3 3 VAL CA C 3 62.495 62.495 63.940 -1.445 25694 4674 1 13 . 1 1 3 3 VAL CB C 3 33.100 33.100 30.837 2.263 25694 4675 1 13 . 1 1 3 3 VAL H H 3 8.290 8.290 8.065 0.225 25694 4676 1 13 . 1 1 4 4 SER N N 4 119.097 119.097 113.174 5.923 25694 4677 1 13 . 1 1 4 4 SER HA H 4 4.470 4.470 4.220 0.250 25694 4678 1 13 . 1 1 4 4 SER C C 4 174.617 174.617 174.140 0.477 25694 4679 1 13 . 1 1 4 4 SER CA C 4 58.369 58.369 59.118 -0.750 25694 4680 1 13 . 1 1 4 4 SER CB C 4 64.187 64.187 63.286 0.901 25694 4681 1 13 . 1 1 4 4 SER H H 4 8.349 8.349 7.954 0.395 25694 4682 1 13 . 1 1 5 5 LEU N N 5 124.723 124.723 114.778 9.945 25694 4683 1 13 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.769 -0.389 25694 4684 1 13 . 1 1 5 5 LEU C C 5 177.355 177.355 175.165 2.190 25694 4685 1 13 . 1 1 5 5 LEU CA C 5 55.388 55.388 54.524 0.864 25694 4686 1 13 . 1 1 5 5 LEU CB C 5 42.515 42.515 43.070 -0.555 25694 4687 1 13 . 1 1 5 5 LEU H H 5 8.339 8.339 8.180 0.159 25694 4688 1 13 . 1 1 6 6 SER N N 6 115.926 115.926 116.704 -0.778 25694 4689 1 13 . 1 1 6 6 SER HA H 6 4.414 4.414 4.907 -0.493 25694 4690 1 13 . 1 1 6 6 SER C C 6 174.235 174.235 173.436 0.799 25694 4691 1 13 . 1 1 6 6 SER CA C 6 58.369 58.369 58.369 0.000 25694 4692 1 13 . 1 1 6 6 SER CB C 6 64.187 64.187 64.412 -0.225 25694 4693 1 13 . 1 1 6 6 SER H H 6 8.199 8.199 7.606 0.593 25694 4694 1 13 . 1 1 7 7 TYR N N 7 122.124 122.124 123.407 -1.283 25694 4695 1 13 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.888 -0.312 25694 4696 1 13 . 1 1 7 7 TYR C C 7 175.530 175.530 173.778 1.752 25694 4697 1 13 . 1 1 7 7 TYR CA C 7 58.008 58.008 56.128 1.880 25694 4698 1 13 . 1 1 7 7 TYR CB C 7 38.969 38.969 39.078 -0.109 25694 4699 1 13 . 1 1 7 7 TYR H H 7 8.049 8.049 8.279 -0.230 25694 4700 1 13 . 1 1 8 8 ARG N N 8 121.947 121.947 121.341 0.606 25694 4701 1 13 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.211 0.115 25694 4702 1 13 . 1 1 8 8 ARG C C 8 175.845 175.845 175.182 0.663 25694 4703 1 13 . 1 1 8 8 ARG CA C 8 56.104 56.104 55.778 0.326 25694 4704 1 13 . 1 1 8 8 ARG CB C 8 31.100 31.100 29.819 1.281 25694 4705 1 13 . 1 1 8 8 ARG H H 8 8.177 8.177 8.409 -0.232 25694 4706 1 13 . 1 1 9 9 CYS N N 9 120.943 120.943 124.106 -3.163 25694 4707 1 13 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.089 0.865 25694 4708 1 13 . 1 1 9 9 CYS CA C 9 53.127 53.127 57.008 -3.881 25694 4709 1 13 . 1 1 9 9 CYS CB C 9 40.218 40.218 26.285 13.933 25694 4710 1 13 . 1 1 9 9 CYS H H 9 8.173 8.173 8.468 -0.295 25694 4711 1 13 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.291 0.061 25694 4712 1 13 . 1 1 10 10 PRO C C 10 177.347 177.347 176.393 0.954 25694 4713 1 13 . 1 1 10 10 PRO CA C 10 64.859 64.859 64.184 0.675 25694 4714 1 13 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.041 0.467 25694 4715 1 13 . 1 1 11 11 CYS N N 11 114.096 114.096 119.543 -5.447 25694 4716 1 13 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.612 0.113 25694 4717 1 13 . 1 1 11 11 CYS CA C 11 53.429 53.429 58.350 -4.921 25694 4718 1 13 . 1 1 11 11 CYS CB C 11 39.279 39.279 25.306 13.973 25694 4719 1 13 . 1 1 11 11 CYS H H 11 8.232 8.232 7.966 0.266 25694 4720 1 13 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.100 -0.031 25694 4721 1 13 . 1 1 12 12 ARG C C 12 175.106 175.106 174.951 0.155 25694 4722 1 13 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.578 0.422 25694 4723 1 13 . 1 1 12 12 ARG CB C 12 31.500 31.500 31.307 0.193 25694 4724 1 13 . 1 1 13 13 PHE N N 13 116.259 116.259 118.412 -2.153 25694 4725 1 13 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.227 0.403 25694 4726 1 13 . 1 1 13 13 PHE C C 13 174.227 174.227 174.688 -0.461 25694 4727 1 13 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.739 -0.768 25694 4728 1 13 . 1 1 13 13 PHE CB C 13 41.059 41.059 40.492 0.567 25694 4729 1 13 . 1 1 13 13 PHE H H 13 7.572 7.572 7.927 -0.355 25694 4730 1 13 . 1 1 14 14 PHE N N 14 119.623 119.623 119.592 0.031 25694 4731 1 13 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.770 0.166 25694 4732 1 13 . 1 1 14 14 PHE C C 14 175.496 175.496 175.367 0.129 25694 4733 1 13 . 1 1 14 14 PHE CA C 14 56.147 56.147 55.528 0.619 25694 4734 1 13 . 1 1 14 14 PHE CB C 14 41.544 41.544 40.827 0.717 25694 4735 1 13 . 1 1 14 14 PHE H H 14 8.450 8.450 8.237 0.213 25694 4736 1 13 . 1 1 15 15 GLU N N 15 122.147 122.147 121.064 1.083 25694 4737 1 13 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.764 -0.129 25694 4738 1 13 . 1 1 15 15 GLU C C 15 176.990 176.990 176.371 0.619 25694 4739 1 13 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.153 1.627 25694 4740 1 13 . 1 1 15 15 GLU CB C 15 31.109 31.109 32.789 -1.680 25694 4741 1 13 . 1 1 15 15 GLU H H 15 8.956 8.956 8.893 0.063 25694 4742 1 13 . 1 1 16 16 SER N N 16 119.943 119.943 118.704 1.239 25694 4743 1 13 . 1 1 16 16 SER HA H 16 4.598 4.598 4.438 0.160 25694 4744 1 13 . 1 1 16 16 SER C C 16 174.385 174.385 173.929 0.456 25694 4745 1 13 . 1 1 16 16 SER CA C 16 59.799 59.799 59.182 0.617 25694 4746 1 13 . 1 1 16 16 SER CB C 16 64.517 64.517 63.025 1.492 25694 4747 1 13 . 1 1 16 16 SER H H 16 8.943 8.943 8.713 0.230 25694 4748 1 13 . 1 1 17 17 HIS N N 17 119.124 119.124 118.947 0.177 25694 4749 1 13 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.792 -0.092 25694 4750 1 13 . 1 1 17 17 HIS C C 17 174.567 174.567 173.951 0.616 25694 4751 1 13 . 1 1 17 17 HIS CA C 17 56.751 56.751 55.133 1.618 25694 4752 1 13 . 1 1 17 17 HIS CB C 17 29.896 29.896 29.674 0.222 25694 4753 1 13 . 1 1 17 17 HIS H H 17 8.649 8.649 8.272 0.377 25694 4754 1 13 . 1 1 18 18 VAL N N 18 121.960 121.960 121.462 0.498 25694 4755 1 13 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.125 0.032 25694 4756 1 13 . 1 1 18 18 VAL C C 18 175.140 175.140 174.858 0.282 25694 4757 1 13 . 1 1 18 18 VAL CA C 18 61.928 61.928 62.503 -0.575 25694 4758 1 13 . 1 1 18 18 VAL CB C 18 33.700 33.700 32.664 1.036 25694 4759 1 13 . 1 1 18 18 VAL H H 18 7.876 7.876 7.833 0.043 25694 4760 1 13 . 1 1 19 19 ALA N N 19 132.226 132.226 129.279 2.947 25694 4761 1 13 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.705 -0.190 25694 4762 1 13 . 1 1 19 19 ALA C C 19 178.060 178.060 176.979 1.081 25694 4763 1 13 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.065 1.435 25694 4764 1 13 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.810 -1.926 25694 4765 1 13 . 1 1 19 19 ALA H H 19 8.843 8.843 8.503 0.340 25694 4766 1 13 . 1 1 20 20 ARG N N 20 125.791 125.791 123.179 2.612 25694 4767 1 13 . 1 1 20 20 ARG HA H 20 2.837 2.837 2.978 -0.141 25694 4768 1 13 . 1 1 20 20 ARG C C 20 178.459 178.459 176.779 1.680 25694 4769 1 13 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.023 0.616 25694 4770 1 13 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.110 -0.185 25694 4771 1 13 . 1 1 20 20 ARG H H 20 8.196 8.196 7.994 0.202 25694 4772 1 13 . 1 1 21 21 ALA N N 21 117.396 117.396 118.875 -1.479 25694 4773 1 13 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.148 -0.066 25694 4774 1 13 . 1 1 21 21 ALA C C 21 177.745 177.745 177.022 0.723 25694 4775 1 13 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.725 0.084 25694 4776 1 13 . 1 1 21 21 ALA CB C 21 18.884 18.884 19.195 -0.311 25694 4777 1 13 . 1 1 21 21 ALA H H 21 8.309 8.309 7.887 0.422 25694 4778 1 13 . 1 1 22 22 ASN N N 22 113.201 113.201 113.533 -0.332 25694 4779 1 13 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.735 0.239 25694 4780 1 13 . 1 1 22 22 ASN C C 22 174.999 174.999 174.031 0.968 25694 4781 1 13 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.840 -0.250 25694 4782 1 13 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.088 0.812 25694 4783 1 13 . 1 1 22 22 ASN H H 22 7.796 7.796 7.940 -0.144 25694 4784 1 13 . 1 1 23 23 VAL N N 23 117.829 117.829 113.399 4.430 25694 4785 1 13 . 1 1 23 23 VAL HA H 23 4.488 4.488 5.026 -0.538 25694 4786 1 13 . 1 1 23 23 VAL C C 23 174.393 174.393 175.072 -0.679 25694 4787 1 13 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.127 2.123 25694 4788 1 13 . 1 1 23 23 VAL CB C 23 33.700 33.700 35.150 -1.450 25694 4789 1 13 . 1 1 23 23 VAL H H 23 7.477 7.477 7.041 0.436 25694 4790 1 13 . 1 1 24 24 LYS N N 24 123.962 123.962 122.290 1.672 25694 4791 1 13 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.503 -0.023 25694 4792 1 13 . 1 1 24 24 LYS C C 24 175.090 175.090 176.348 -1.258 25694 4793 1 13 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.273 -0.169 25694 4794 1 13 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.928 1.468 25694 4795 1 13 . 1 1 24 24 LYS H H 24 9.276 9.276 8.310 0.966 25694 4796 1 13 . 1 1 25 25 HIS N N 25 115.921 115.921 119.034 -3.113 25694 4797 1 13 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.860 -0.157 25694 4798 1 13 . 1 1 25 25 HIS C C 25 173.364 173.364 172.672 0.692 25694 4799 1 13 . 1 1 25 25 HIS CA C 25 55.781 55.781 56.483 -0.702 25694 4800 1 13 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.197 -0.036 25694 4801 1 13 . 1 1 25 25 HIS H H 25 7.964 7.964 7.659 0.305 25694 4802 1 13 . 1 1 26 26 LEU N N 26 122.215 122.215 125.126 -2.911 25694 4803 1 13 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.149 -0.181 25694 4804 1 13 . 1 1 26 26 LEU C C 26 175.720 175.720 175.592 0.128 25694 4805 1 13 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.408 2.049 25694 4806 1 13 . 1 1 26 26 LEU CB C 26 45.594 45.594 46.094 -0.500 25694 4807 1 13 . 1 1 26 26 LEU H H 26 8.076 8.076 8.394 -0.318 25694 4808 1 13 . 1 1 27 27 LYS N N 27 122.738 122.738 119.811 2.927 25694 4809 1 13 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.640 0.129 25694 4810 1 13 . 1 1 27 27 LYS C C 27 173.953 173.953 174.648 -0.695 25694 4811 1 13 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.893 0.237 25694 4812 1 13 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.414 0.886 25694 4813 1 13 . 1 1 27 27 LYS H H 27 9.113 9.113 8.778 0.335 25694 4814 1 13 . 1 1 28 28 ILE N N 28 122.212 122.212 125.568 -3.356 25694 4815 1 13 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.622 0.154 25694 4816 1 13 . 1 1 28 28 ILE C C 28 175.895 175.895 174.893 1.002 25694 4817 1 13 . 1 1 28 28 ILE CA C 28 60.200 60.200 60.289 -0.089 25694 4818 1 13 . 1 1 28 28 ILE CB C 28 39.200 39.200 39.147 0.053 25694 4819 1 13 . 1 1 28 28 ILE H H 28 8.535 8.535 8.635 -0.100 25694 4820 1 13 . 1 1 29 29 LEU N N 29 128.977 128.977 133.103 -4.126 25694 4821 1 13 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.579 0.136 25694 4822 1 13 . 1 1 29 29 LEU C C 29 175.438 175.438 174.968 0.470 25694 4823 1 13 . 1 1 29 29 LEU CA C 29 54.100 54.100 52.813 1.287 25694 4824 1 13 . 1 1 29 29 LEU CB C 29 44.132 44.132 41.215 2.917 25694 4825 1 13 . 1 1 29 29 LEU H H 29 9.137 9.137 9.049 0.088 25694 4826 1 13 . 1 1 30 30 ASN N N 30 124.331 124.331 121.859 2.472 25694 4827 1 13 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.835 0.310 25694 4828 1 13 . 1 1 30 30 ASN C C 30 174.335 174.335 174.810 -0.475 25694 4829 1 13 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.054 1.359 25694 4830 1 13 . 1 1 30 30 ASN CB C 30 39.600 39.600 37.377 2.223 25694 4831 1 13 . 1 1 30 30 ASN H H 30 8.824 8.824 8.127 0.697 25694 4832 1 13 . 1 1 31 31 THR N N 31 118.685 118.685 113.742 4.943 25694 4833 1 13 . 1 1 31 31 THR HA H 31 4.796 4.796 4.734 0.062 25694 4834 1 13 . 1 1 31 31 THR CA C 31 59.600 59.600 59.383 0.217 25694 4835 1 13 . 1 1 31 31 THR CB C 31 70.459 70.459 69.994 0.465 25694 4836 1 13 . 1 1 31 31 THR H H 31 8.456 8.456 7.646 0.810 25694 4837 1 13 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.391 -0.101 25694 4838 1 13 . 1 1 32 32 PRO C C 32 177.197 177.197 177.151 0.046 25694 4839 1 13 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.623 0.218 25694 4840 1 13 . 1 1 32 32 PRO CB C 32 32.170 32.170 32.055 0.115 25694 4841 1 13 . 1 1 33 33 ASN N N 33 112.484 112.484 115.545 -3.061 25694 4842 1 13 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.695 -0.213 25694 4843 1 13 . 1 1 33 33 ASN C C 33 174.526 174.526 175.498 -0.972 25694 4844 1 13 . 1 1 33 33 ASN CA C 33 54.945 54.945 54.960 -0.015 25694 4845 1 13 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.599 0.033 25694 4846 1 13 . 1 1 33 33 ASN H H 33 8.470 8.470 8.489 -0.019 25694 4847 1 13 . 1 1 34 34 CYS N N 34 116.720 116.720 118.350 -1.630 25694 4848 1 13 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.528 0.399 25694 4849 1 13 . 1 1 34 34 CYS C C 34 173.762 173.762 174.445 -0.683 25694 4850 1 13 . 1 1 34 34 CYS CA C 34 54.810 54.810 59.073 -4.263 25694 4851 1 13 . 1 1 34 34 CYS CB C 34 44.100 44.100 28.510 15.590 25694 4852 1 13 . 1 1 34 34 CYS H H 34 7.663 7.663 7.537 0.126 25694 4853 1 13 . 1 1 35 35 ALA N N 35 125.254 125.254 120.040 5.214 25694 4854 1 13 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.480 -0.183 25694 4855 1 13 . 1 1 35 35 ALA C C 35 176.882 176.882 174.608 2.274 25694 4856 1 13 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.628 0.785 25694 4857 1 13 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.298 -1.330 25694 4858 1 13 . 1 1 35 35 ALA H H 35 8.449 8.449 8.319 0.130 25694 4859 1 13 . 1 1 36 36 LEU N N 36 122.078 122.078 121.464 0.614 25694 4860 1 13 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.792 -0.391 25694 4861 1 13 . 1 1 36 36 LEU C C 36 176.442 176.442 175.790 0.652 25694 4862 1 13 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.508 2.244 25694 4863 1 13 . 1 1 36 36 LEU CB C 36 42.465 42.465 41.636 0.829 25694 4864 1 13 . 1 1 36 36 LEU H H 36 8.073 8.073 8.315 -0.242 25694 4865 1 13 . 1 1 37 37 GLN N N 37 121.790 121.790 124.971 -3.181 25694 4866 1 13 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.668 0.080 25694 4867 1 13 . 1 1 37 37 GLN C C 37 173.804 173.804 174.067 -0.263 25694 4868 1 13 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.407 -0.007 25694 4869 1 13 . 1 1 37 37 GLN CB C 37 32.463 32.463 32.986 -0.523 25694 4870 1 13 . 1 1 37 37 GLN H H 37 8.397 8.397 8.866 -0.469 25694 4871 1 13 . 1 1 38 38 ILE N N 38 123.702 123.702 122.901 0.801 25694 4872 1 13 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.458 0.287 25694 4873 1 13 . 1 1 38 38 ILE C C 38 174.808 174.808 174.869 -0.061 25694 4874 1 13 . 1 1 38 38 ILE CA C 38 60.950 60.950 58.959 1.991 25694 4875 1 13 . 1 1 38 38 ILE CB C 38 39.600 39.600 37.967 1.633 25694 4876 1 13 . 1 1 38 38 ILE H H 38 9.213 9.213 8.816 0.397 25694 4877 1 13 . 1 1 39 39 VAL N N 39 125.930 125.930 129.191 -3.261 25694 4878 1 13 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.389 0.627 25694 4879 1 13 . 1 1 39 39 VAL C C 39 174.741 174.741 174.056 0.685 25694 4880 1 13 . 1 1 39 39 VAL CA C 39 60.950 60.950 61.252 -0.302 25694 4881 1 13 . 1 1 39 39 VAL CB C 39 34.426 34.426 32.924 1.502 25694 4882 1 13 . 1 1 39 39 VAL H H 39 9.056 9.056 8.861 0.195 25694 4883 1 13 . 1 1 40 40 ALA N N 40 127.551 127.551 130.931 -3.380 25694 4884 1 13 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.346 -0.014 25694 4885 1 13 . 1 1 40 40 ALA C C 40 175.948 175.948 175.806 0.142 25694 4886 1 13 . 1 1 40 40 ALA CA C 40 50.280 50.280 49.803 0.477 25694 4887 1 13 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.111 0.952 25694 4888 1 13 . 1 1 40 40 ALA H H 40 9.335 9.335 9.386 -0.051 25694 4889 1 13 . 1 1 41 41 ARG N N 41 118.658 118.658 119.993 -1.335 25694 4890 1 13 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.021 0.198 25694 4891 1 13 . 1 1 41 41 ARG C C 41 176.310 176.310 175.049 1.261 25694 4892 1 13 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.288 0.812 25694 4893 1 13 . 1 1 41 41 ARG CB C 41 32.428 32.428 32.110 0.318 25694 4894 1 13 . 1 1 41 41 ARG H H 41 8.511 8.511 8.895 -0.384 25694 4895 1 13 . 1 1 42 42 LEU N N 42 125.307 125.307 126.619 -1.312 25694 4896 1 13 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.842 0.084 25694 4897 1 13 . 1 1 42 42 LEU C C 42 178.475 178.475 178.001 0.474 25694 4898 1 13 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.558 -1.229 25694 4899 1 13 . 1 1 42 42 LEU CB C 42 41.497 41.497 41.886 -0.389 25694 4900 1 13 . 1 1 42 42 LEU H H 42 9.038 9.038 9.068 -0.030 25694 4901 1 13 . 1 1 43 43 LYS N N 43 120.597 120.597 126.640 -6.043 25694 4902 1 13 . 1 1 43 43 LYS HA H 43 3.833 3.833 4.101 -0.268 25694 4903 1 13 . 1 1 43 43 LYS C C 43 178.342 178.342 177.395 0.947 25694 4904 1 13 . 1 1 43 43 LYS CA C 43 59.340 59.340 58.965 0.375 25694 4905 1 13 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.357 1.088 25694 4906 1 13 . 1 1 43 43 LYS H H 43 8.480 8.480 8.710 -0.230 25694 4907 1 13 . 1 1 44 44 ASN N N 44 114.812 114.812 117.305 -2.493 25694 4908 1 13 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.601 -0.125 25694 4909 1 13 . 1 1 44 44 ASN C C 44 176.032 176.032 176.374 -0.342 25694 4910 1 13 . 1 1 44 44 ASN CA C 44 55.780 55.780 54.948 0.832 25694 4911 1 13 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.921 -0.414 25694 4912 1 13 . 1 1 44 44 ASN H H 44 8.725 8.725 8.300 0.425 25694 4913 1 13 . 1 1 45 45 ASN N N 45 115.093 115.093 118.379 -3.286 25694 4914 1 13 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.649 0.089 25694 4915 1 13 . 1 1 45 45 ASN C C 45 175.513 175.513 174.742 0.771 25694 4916 1 13 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.653 0.116 25694 4917 1 13 . 1 1 45 45 ASN CB C 45 39.211 39.211 39.011 0.200 25694 4918 1 13 . 1 1 45 45 ASN H H 45 7.519 7.519 8.194 -0.675 25694 4919 1 13 . 1 1 46 46 ASN N N 46 116.121 116.121 114.242 1.879 25694 4920 1 13 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.568 0.101 25694 4921 1 13 . 1 1 46 46 ASN C C 46 174.816 174.816 173.533 1.283 25694 4922 1 13 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.472 0.328 25694 4923 1 13 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.461 1.818 25694 4924 1 13 . 1 1 46 46 ASN H H 46 8.033 8.033 8.571 -0.538 25694 4925 1 13 . 1 1 47 47 ARG N N 47 119.917 119.917 117.028 2.889 25694 4926 1 13 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.583 -0.330 25694 4927 1 13 . 1 1 47 47 ARG C C 47 175.845 175.845 174.796 1.049 25694 4928 1 13 . 1 1 47 47 ARG CA C 47 57.084 57.084 54.690 2.394 25694 4929 1 13 . 1 1 47 47 ARG CB C 47 31.785 31.785 32.020 -0.235 25694 4930 1 13 . 1 1 47 47 ARG H H 47 7.981 7.981 7.873 0.108 25694 4931 1 13 . 1 1 48 48 GLN N N 48 123.497 123.497 123.080 0.417 25694 4932 1 13 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.334 -0.092 25694 4933 1 13 . 1 1 48 48 GLN C C 48 175.629 175.629 174.882 0.747 25694 4934 1 13 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.200 0.580 25694 4935 1 13 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.470 0.721 25694 4936 1 13 . 1 1 48 48 GLN H H 48 8.737 8.737 8.522 0.215 25694 4937 1 13 . 1 1 49 49 VAL N N 49 119.819 119.819 124.305 -4.486 25694 4938 1 13 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.527 0.246 25694 4939 1 13 . 1 1 49 49 VAL C C 49 174.235 174.235 173.335 0.900 25694 4940 1 13 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.297 -1.031 25694 4941 1 13 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.174 -0.174 25694 4942 1 13 . 1 1 49 49 VAL H H 49 9.150 9.150 8.882 0.268 25694 4943 1 13 . 1 1 50 50 CYS N N 50 120.721 120.721 122.720 -1.999 25694 4944 1 13 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.580 0.073 25694 4945 1 13 . 1 1 50 50 CYS C C 50 174.078 174.078 175.258 -1.180 25694 4946 1 13 . 1 1 50 50 CYS CA C 50 56.428 56.428 58.135 -1.707 25694 4947 1 13 . 1 1 50 50 CYS CB C 50 45.270 45.270 28.023 17.247 25694 4948 1 13 . 1 1 50 50 CYS H H 50 8.854 8.854 8.908 -0.054 25694 4949 1 13 . 1 1 51 51 ILE N N 51 124.038 124.038 122.776 1.262 25694 4950 1 13 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.677 -0.167 25694 4951 1 13 . 1 1 51 51 ILE C C 51 174.775 174.775 174.557 0.218 25694 4952 1 13 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.086 -0.785 25694 4953 1 13 . 1 1 51 51 ILE CB C 51 39.603 39.603 40.423 -0.820 25694 4954 1 13 . 1 1 51 51 ILE H H 51 8.934 8.934 8.246 0.688 25694 4955 1 13 . 1 1 52 52 ASP N N 52 127.393 127.393 123.891 3.502 25694 4956 1 13 . 1 1 52 52 ASP HA H 52 3.745 3.745 3.773 -0.028 25694 4957 1 13 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.276 0.614 25694 4958 1 13 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.123 1.039 25694 4959 1 13 . 1 1 52 52 ASP H H 52 8.098 8.098 7.858 0.240 25694 4960 1 13 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.036 0.049 25694 4961 1 13 . 1 1 53 53 PRO C C 53 176.500 176.500 175.924 0.576 25694 4962 1 13 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.473 1.037 25694 4963 1 13 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.738 0.534 25694 4964 1 13 . 1 1 54 54 LYS N N 54 116.899 116.899 117.679 -0.780 25694 4965 1 13 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.279 -0.074 25694 4966 1 13 . 1 1 54 54 LYS C C 54 176.791 176.791 177.154 -0.363 25694 4967 1 13 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.601 0.099 25694 4968 1 13 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.939 -2.139 25694 4969 1 13 . 1 1 54 54 LYS H H 54 8.129 8.129 7.812 0.317 25694 4970 1 13 . 1 1 55 55 CYS N N 55 119.988 119.988 118.504 1.484 25694 4971 1 13 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.447 -0.050 25694 4972 1 13 . 1 1 55 55 CYS CA C 55 57.075 57.075 57.500 -0.425 25694 4973 1 13 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.171 13.373 25694 4974 1 13 . 1 1 55 55 CYS H H 55 7.989 7.989 7.423 0.566 25694 4975 1 13 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.489 -0.362 25694 4976 1 13 . 1 1 56 56 LYS C C 56 178.326 178.326 178.711 -0.385 25694 4977 1 13 . 1 1 56 56 LYS CA C 56 60.600 60.600 58.064 2.536 25694 4978 1 13 . 1 1 56 56 LYS CB C 56 32.800 32.800 33.370 -0.570 25694 4979 1 13 . 1 1 57 57 TRP N N 57 114.860 114.860 118.364 -3.504 25694 4980 1 13 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.773 0.132 25694 4981 1 13 . 1 1 57 57 TRP C C 57 177.803 177.803 177.268 0.535 25694 4982 1 13 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.722 -1.482 25694 4983 1 13 . 1 1 57 57 TRP CB C 57 28.925 28.925 28.137 0.788 25694 4984 1 13 . 1 1 57 57 TRP H H 57 7.274 7.274 7.678 -0.404 25694 4985 1 13 . 1 1 58 58 CYS N N 58 121.960 121.960 117.722 4.238 25694 4986 1 13 . 1 1 58 58 CYS HA H 58 3.917 3.917 3.651 0.266 25694 4987 1 13 . 1 1 58 58 CYS C C 58 175.480 175.480 177.160 -1.680 25694 4988 1 13 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.399 4.436 25694 4989 1 13 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.017 11.350 25694 4990 1 13 . 1 1 58 58 CYS H H 58 7.780 7.780 7.422 0.358 25694 4991 1 13 . 1 1 59 59 GLN N N 59 119.203 119.203 120.111 -0.908 25694 4992 1 13 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.949 -0.002 25694 4993 1 13 . 1 1 59 59 GLN C C 59 178.152 178.152 178.659 -0.507 25694 4994 1 13 . 1 1 59 59 GLN CA C 59 59.663 59.663 59.380 0.283 25694 4995 1 13 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.688 0.284 25694 4996 1 13 . 1 1 59 59 GLN H H 59 8.073 8.073 7.880 0.193 25694 4997 1 13 . 1 1 60 60 GLU N N 60 118.831 118.831 119.110 -0.279 25694 4998 1 13 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.097 0.024 25694 4999 1 13 . 1 1 60 60 GLU C C 60 178.367 178.367 179.032 -0.665 25694 5000 1 13 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.967 0.373 25694 5001 1 13 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.174 0.722 25694 5002 1 13 . 1 1 60 60 GLU H H 60 8.085 8.085 8.058 0.027 25694 5003 1 13 . 1 1 61 61 TYR N N 61 118.802 118.802 121.141 -2.339 25694 5004 1 13 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.313 0.017 25694 5005 1 13 . 1 1 61 61 TYR C C 61 177.629 177.629 177.370 0.259 25694 5006 1 13 . 1 1 61 61 TYR CA C 61 61.281 61.281 61.173 0.108 25694 5007 1 13 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.591 0.365 25694 5008 1 13 . 1 1 61 61 TYR H H 61 7.666 7.666 7.533 0.133 25694 5009 1 13 . 1 1 62 62 LEU N N 62 119.351 119.351 119.643 -0.292 25694 5010 1 13 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.665 0.202 25694 5011 1 13 . 1 1 62 62 LEU C C 62 178.724 178.724 179.257 -0.533 25694 5012 1 13 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.937 -0.318 25694 5013 1 13 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.558 0.632 25694 5014 1 13 . 1 1 62 62 LEU H H 62 8.275 8.275 8.275 -0.000 25694 5015 1 13 . 1 1 63 63 GLU N N 63 118.049 118.049 118.307 -0.258 25694 5016 1 13 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.017 -0.020 25694 5017 1 13 . 1 1 63 63 GLU C C 63 178.649 178.649 179.241 -0.592 25694 5018 1 13 . 1 1 63 63 GLU CA C 63 59.143 59.143 59.119 0.024 25694 5019 1 13 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.001 0.895 25694 5020 1 13 . 1 1 63 63 GLU H H 63 8.066 8.066 7.827 0.239 25694 5021 1 13 . 1 1 64 64 LYS N N 64 117.297 117.297 118.352 -1.055 25694 5022 1 13 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.238 -0.010 25694 5023 1 13 . 1 1 64 64 LYS C C 64 178.085 178.085 178.728 -0.643 25694 5024 1 13 . 1 1 64 64 LYS CA C 64 57.820 57.820 57.826 -0.006 25694 5025 1 13 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.197 0.611 25694 5026 1 13 . 1 1 64 64 LYS H H 64 7.572 7.572 7.602 -0.030 25694 5027 1 13 . 1 1 65 65 ALA N N 65 121.570 121.570 122.779 -1.209 25694 5028 1 13 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.143 0.031 25694 5029 1 13 . 1 1 65 65 ALA C C 65 178.707 178.707 179.130 -0.423 25694 5030 1 13 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.323 -0.523 25694 5031 1 13 . 1 1 65 65 ALA CB C 65 19.534 19.534 17.898 1.636 25694 5032 1 13 . 1 1 65 65 ALA H H 65 7.964 7.964 7.588 0.376 25694 5033 1 13 . 1 1 66 66 LEU N N 66 117.399 117.399 117.222 0.177 25694 5034 1 13 . 1 1 66 66 LEU HA H 66 4.325 4.325 4.098 0.227 25694 5035 1 13 . 1 1 66 66 LEU C C 66 177.264 177.264 178.148 -0.884 25694 5036 1 13 . 1 1 66 66 LEU CA C 66 55.457 55.457 55.898 -0.441 25694 5037 1 13 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.122 1.378 25694 5038 1 13 . 1 1 66 66 LEU H H 66 7.888 7.888 7.641 0.247 25694 5039 1 13 . 1 1 67 67 ASN N N 67 118.846 118.846 118.728 0.118 25694 5040 1 13 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.587 0.183 25694 5041 1 13 . 1 1 67 67 ASN C C 67 174.094 174.094 175.430 -1.336 25694 5042 1 13 . 1 1 67 67 ASN CA C 67 53.434 53.434 54.871 -1.437 25694 5043 1 13 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.258 0.021 25694 5044 1 13 . 1 1 67 67 ASN H H 67 7.959 7.959 7.632 0.327 25694 5045 1 14 . 1 1 0 0 MET HA H 0 4.501 4.501 4.842 -0.341 25694 5046 1 14 . 1 1 0 0 MET C C 0 176.102 176.102 175.413 0.689 25694 5047 1 14 . 1 1 0 0 MET CA C 0 55.781 55.781 54.426 1.355 25694 5048 1 14 . 1 1 0 0 MET CB C 0 33.455 33.455 32.650 0.805 25694 5049 1 14 . 1 1 1 1 LYS N N 1 124.708 124.708 124.761 -0.053 25694 5050 1 14 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.890 -0.252 25694 5051 1 14 . 1 1 1 1 LYS CA C 1 54.486 54.486 53.873 0.613 25694 5052 1 14 . 1 1 1 1 LYS CB C 1 32.808 32.808 31.013 1.795 25694 5053 1 14 . 1 1 1 1 LYS H H 1 8.503 8.503 8.285 0.218 25694 5054 1 14 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.387 0.097 25694 5055 1 14 . 1 1 2 2 PRO C C 2 177.031 177.031 176.393 0.638 25694 5056 1 14 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.738 0.462 25694 5057 1 14 . 1 1 2 2 PRO CB C 2 32.161 32.161 31.994 0.168 25694 5058 1 14 . 1 1 3 3 VAL N N 3 120.641 120.641 117.599 3.042 25694 5059 1 14 . 1 1 3 3 VAL HA H 3 4.119 4.119 3.806 0.313 25694 5060 1 14 . 1 1 3 3 VAL C C 3 176.393 176.393 175.671 0.722 25694 5061 1 14 . 1 1 3 3 VAL CA C 3 62.495 62.495 62.346 0.149 25694 5062 1 14 . 1 1 3 3 VAL CB C 3 33.100 33.100 31.650 1.450 25694 5063 1 14 . 1 1 3 3 VAL H H 3 8.290 8.290 8.142 0.148 25694 5064 1 14 . 1 1 4 4 SER N N 4 119.097 119.097 120.386 -1.289 25694 5065 1 14 . 1 1 4 4 SER HA H 4 4.470 4.470 4.550 -0.080 25694 5066 1 14 . 1 1 4 4 SER C C 4 174.617 174.617 174.843 -0.226 25694 5067 1 14 . 1 1 4 4 SER CA C 4 58.369 58.369 58.219 0.150 25694 5068 1 14 . 1 1 4 4 SER CB C 4 64.187 64.187 63.846 0.341 25694 5069 1 14 . 1 1 4 4 SER H H 4 8.349 8.349 8.248 0.101 25694 5070 1 14 . 1 1 5 5 LEU N N 5 124.723 124.723 122.864 1.859 25694 5071 1 14 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.230 0.150 25694 5072 1 14 . 1 1 5 5 LEU C C 5 177.355 177.355 176.866 0.489 25694 5073 1 14 . 1 1 5 5 LEU CA C 5 55.388 55.388 54.576 0.812 25694 5074 1 14 . 1 1 5 5 LEU CB C 5 42.515 42.515 42.498 0.017 25694 5075 1 14 . 1 1 5 5 LEU H H 5 8.339 8.339 8.324 0.015 25694 5076 1 14 . 1 1 6 6 SER N N 6 115.926 115.926 118.095 -2.169 25694 5077 1 14 . 1 1 6 6 SER HA H 6 4.414 4.414 4.533 -0.119 25694 5078 1 14 . 1 1 6 6 SER C C 6 174.235 174.235 174.127 0.108 25694 5079 1 14 . 1 1 6 6 SER CA C 6 58.369 58.369 58.669 -0.299 25694 5080 1 14 . 1 1 6 6 SER CB C 6 64.187 64.187 63.119 1.068 25694 5081 1 14 . 1 1 6 6 SER H H 6 8.199 8.199 8.769 -0.570 25694 5082 1 14 . 1 1 7 7 TYR N N 7 122.124 122.124 117.420 4.704 25694 5083 1 14 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.678 -0.102 25694 5084 1 14 . 1 1 7 7 TYR C C 7 175.530 175.530 173.809 1.721 25694 5085 1 14 . 1 1 7 7 TYR CA C 7 58.008 58.008 57.246 0.762 25694 5086 1 14 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.692 0.277 25694 5087 1 14 . 1 1 7 7 TYR H H 7 8.049 8.049 7.576 0.473 25694 5088 1 14 . 1 1 8 8 ARG N N 8 121.947 121.947 119.647 2.300 25694 5089 1 14 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.420 -0.094 25694 5090 1 14 . 1 1 8 8 ARG C C 8 175.845 175.845 174.777 1.068 25694 5091 1 14 . 1 1 8 8 ARG CA C 8 56.104 56.104 54.096 2.008 25694 5092 1 14 . 1 1 8 8 ARG CB C 8 31.100 31.100 32.114 -1.014 25694 5093 1 14 . 1 1 8 8 ARG H H 8 8.177 8.177 8.242 -0.065 25694 5094 1 14 . 1 1 9 9 CYS N N 9 120.943 120.943 120.892 0.051 25694 5095 1 14 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.360 0.594 25694 5096 1 14 . 1 1 9 9 CYS CA C 9 53.127 53.127 57.970 -4.843 25694 5097 1 14 . 1 1 9 9 CYS CB C 9 40.218 40.218 26.052 14.166 25694 5098 1 14 . 1 1 9 9 CYS H H 9 8.173 8.173 8.495 -0.322 25694 5099 1 14 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.279 0.073 25694 5100 1 14 . 1 1 10 10 PRO C C 10 177.347 177.347 176.022 1.325 25694 5101 1 14 . 1 1 10 10 PRO CA C 10 64.859 64.859 64.388 0.471 25694 5102 1 14 . 1 1 10 10 PRO CB C 10 32.508 32.508 31.948 0.560 25694 5103 1 14 . 1 1 11 11 CYS N N 11 114.096 114.096 111.525 2.571 25694 5104 1 14 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.710 0.015 25694 5105 1 14 . 1 1 11 11 CYS CA C 11 53.429 53.429 57.406 -3.977 25694 5106 1 14 . 1 1 11 11 CYS CB C 11 39.279 39.279 30.367 8.912 25694 5107 1 14 . 1 1 11 11 CYS H H 11 8.232 8.232 7.922 0.310 25694 5108 1 14 . 1 1 12 12 ARG HA H 12 4.069 4.069 3.944 0.125 25694 5109 1 14 . 1 1 12 12 ARG C C 12 175.106 175.106 174.669 0.437 25694 5110 1 14 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.706 0.294 25694 5111 1 14 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.432 1.068 25694 5112 1 14 . 1 1 13 13 PHE N N 13 116.259 116.259 118.578 -2.319 25694 5113 1 14 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.217 0.413 25694 5114 1 14 . 1 1 13 13 PHE C C 13 174.227 174.227 174.356 -0.129 25694 5115 1 14 . 1 1 13 13 PHE CA C 13 55.971 55.971 57.514 -1.543 25694 5116 1 14 . 1 1 13 13 PHE CB C 13 41.059 41.059 39.791 1.268 25694 5117 1 14 . 1 1 13 13 PHE H H 13 7.572 7.572 7.681 -0.109 25694 5118 1 14 . 1 1 14 14 PHE N N 14 119.623 119.623 119.932 -0.309 25694 5119 1 14 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.774 0.162 25694 5120 1 14 . 1 1 14 14 PHE C C 14 175.496 175.496 174.654 0.842 25694 5121 1 14 . 1 1 14 14 PHE CA C 14 56.147 56.147 55.909 0.238 25694 5122 1 14 . 1 1 14 14 PHE CB C 14 41.544 41.544 41.773 -0.229 25694 5123 1 14 . 1 1 14 14 PHE H H 14 8.450 8.450 8.119 0.331 25694 5124 1 14 . 1 1 15 15 GLU N N 15 122.147 122.147 122.892 -0.745 25694 5125 1 14 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.613 0.022 25694 5126 1 14 . 1 1 15 15 GLU C C 15 176.990 176.990 177.748 -0.758 25694 5127 1 14 . 1 1 15 15 GLU CA C 15 55.780 55.780 55.350 0.430 25694 5128 1 14 . 1 1 15 15 GLU CB C 15 31.109 31.109 31.523 -0.414 25694 5129 1 14 . 1 1 15 15 GLU H H 15 8.956 8.956 9.100 -0.144 25694 5130 1 14 . 1 1 16 16 SER N N 16 119.943 119.943 122.153 -2.210 25694 5131 1 14 . 1 1 16 16 SER HA H 16 4.598 4.598 4.201 0.397 25694 5132 1 14 . 1 1 16 16 SER C C 16 174.385 174.385 174.486 -0.101 25694 5133 1 14 . 1 1 16 16 SER CA C 16 59.799 59.799 60.772 -0.973 25694 5134 1 14 . 1 1 16 16 SER CB C 16 64.517 64.517 63.126 1.391 25694 5135 1 14 . 1 1 16 16 SER H H 16 8.943 8.943 8.924 0.019 25694 5136 1 14 . 1 1 17 17 HIS N N 17 119.124 119.124 117.713 1.411 25694 5137 1 14 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.856 -0.156 25694 5138 1 14 . 1 1 17 17 HIS C C 17 174.567 174.567 173.370 1.197 25694 5139 1 14 . 1 1 17 17 HIS CA C 17 56.751 56.751 54.145 2.606 25694 5140 1 14 . 1 1 17 17 HIS CB C 17 29.896 29.896 29.257 0.639 25694 5141 1 14 . 1 1 17 17 HIS H H 17 8.649 8.649 8.024 0.625 25694 5142 1 14 . 1 1 18 18 VAL N N 18 121.960 121.960 124.267 -2.307 25694 5143 1 14 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.204 -0.047 25694 5144 1 14 . 1 1 18 18 VAL C C 18 175.140 175.140 174.771 0.369 25694 5145 1 14 . 1 1 18 18 VAL CA C 18 61.928 61.928 62.009 -0.081 25694 5146 1 14 . 1 1 18 18 VAL CB C 18 33.700 33.700 33.170 0.530 25694 5147 1 14 . 1 1 18 18 VAL H H 18 7.876 7.876 8.409 -0.533 25694 5148 1 14 . 1 1 19 19 ALA N N 19 132.226 132.226 130.020 2.206 25694 5149 1 14 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.836 -0.321 25694 5150 1 14 . 1 1 19 19 ALA C C 19 178.060 178.060 177.567 0.493 25694 5151 1 14 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.356 1.144 25694 5152 1 14 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.211 -1.327 25694 5153 1 14 . 1 1 19 19 ALA H H 19 8.843 8.843 8.942 -0.099 25694 5154 1 14 . 1 1 20 20 ARG N N 20 125.791 125.791 124.184 1.607 25694 5155 1 14 . 1 1 20 20 ARG HA H 20 2.837 2.837 2.967 -0.130 25694 5156 1 14 . 1 1 20 20 ARG C C 20 178.459 178.459 177.130 1.329 25694 5157 1 14 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.420 0.219 25694 5158 1 14 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.283 -0.358 25694 5159 1 14 . 1 1 20 20 ARG H H 20 8.196 8.196 8.420 -0.224 25694 5160 1 14 . 1 1 21 21 ALA N N 21 117.396 117.396 119.460 -2.064 25694 5161 1 14 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.109 -0.027 25694 5162 1 14 . 1 1 21 21 ALA C C 21 177.745 177.745 177.105 0.640 25694 5163 1 14 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.617 0.192 25694 5164 1 14 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.906 -0.022 25694 5165 1 14 . 1 1 21 21 ALA H H 21 8.309 8.309 8.096 0.213 25694 5166 1 14 . 1 1 22 22 ASN N N 22 113.201 113.201 113.366 -0.165 25694 5167 1 14 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.677 0.297 25694 5168 1 14 . 1 1 22 22 ASN C C 22 174.999 174.999 174.507 0.492 25694 5169 1 14 . 1 1 22 22 ASN CA C 22 52.590 52.590 53.147 -0.557 25694 5170 1 14 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.347 0.553 25694 5171 1 14 . 1 1 22 22 ASN H H 22 7.796 7.796 7.987 -0.191 25694 5172 1 14 . 1 1 23 23 VAL N N 23 117.829 117.829 113.870 3.959 25694 5173 1 14 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.798 -0.310 25694 5174 1 14 . 1 1 23 23 VAL C C 23 174.393 174.393 174.895 -0.502 25694 5175 1 14 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.708 1.542 25694 5176 1 14 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.452 -0.752 25694 5177 1 14 . 1 1 23 23 VAL H H 23 7.477 7.477 6.949 0.528 25694 5178 1 14 . 1 1 24 24 LYS N N 24 123.962 123.962 122.364 1.598 25694 5179 1 14 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.524 -0.044 25694 5180 1 14 . 1 1 24 24 LYS C C 24 175.090 175.090 176.999 -1.909 25694 5181 1 14 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.225 -0.121 25694 5182 1 14 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.313 2.083 25694 5183 1 14 . 1 1 24 24 LYS H H 24 9.276 9.276 8.752 0.524 25694 5184 1 14 . 1 1 25 25 HIS N N 25 115.921 115.921 118.211 -2.290 25694 5185 1 14 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.700 0.003 25694 5186 1 14 . 1 1 25 25 HIS C C 25 173.364 173.364 172.375 0.989 25694 5187 1 14 . 1 1 25 25 HIS CA C 25 55.781 55.781 55.655 0.126 25694 5188 1 14 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.841 -0.680 25694 5189 1 14 . 1 1 25 25 HIS H H 25 7.964 7.964 7.666 0.298 25694 5190 1 14 . 1 1 26 26 LEU N N 26 122.215 122.215 125.260 -3.045 25694 5191 1 14 . 1 1 26 26 LEU HA H 26 4.968 4.968 4.647 0.321 25694 5192 1 14 . 1 1 26 26 LEU C C 26 175.720 175.720 174.625 1.095 25694 5193 1 14 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.438 2.019 25694 5194 1 14 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.576 0.018 25694 5195 1 14 . 1 1 26 26 LEU H H 26 8.076 8.076 8.308 -0.232 25694 5196 1 14 . 1 1 27 27 LYS N N 27 122.738 122.738 123.731 -0.993 25694 5197 1 14 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.708 0.061 25694 5198 1 14 . 1 1 27 27 LYS C C 27 173.953 173.953 174.404 -0.451 25694 5199 1 14 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.321 0.809 25694 5200 1 14 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.827 0.473 25694 5201 1 14 . 1 1 27 27 LYS H H 27 9.113 9.113 8.819 0.294 25694 5202 1 14 . 1 1 28 28 ILE N N 28 122.212 122.212 124.081 -1.869 25694 5203 1 14 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.815 -0.039 25694 5204 1 14 . 1 1 28 28 ILE C C 28 175.895 175.895 174.971 0.924 25694 5205 1 14 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.796 0.404 25694 5206 1 14 . 1 1 28 28 ILE CB C 28 39.200 39.200 39.730 -0.530 25694 5207 1 14 . 1 1 28 28 ILE H H 28 8.535 8.535 8.688 -0.153 25694 5208 1 14 . 1 1 29 29 LEU N N 29 128.977 128.977 131.898 -2.921 25694 5209 1 14 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.585 0.130 25694 5210 1 14 . 1 1 29 29 LEU C C 29 175.438 175.438 174.942 0.496 25694 5211 1 14 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.760 0.340 25694 5212 1 14 . 1 1 29 29 LEU CB C 29 44.132 44.132 40.069 4.063 25694 5213 1 14 . 1 1 29 29 LEU H H 29 9.137 9.137 8.951 0.186 25694 5214 1 14 . 1 1 30 30 ASN N N 30 124.331 124.331 124.605 -0.274 25694 5215 1 14 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.836 0.309 25694 5216 1 14 . 1 1 30 30 ASN C C 30 174.335 174.335 174.179 0.156 25694 5217 1 14 . 1 1 30 30 ASN CA C 30 52.413 52.413 52.459 -0.046 25694 5218 1 14 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.587 1.013 25694 5219 1 14 . 1 1 30 30 ASN H H 30 8.824 8.824 8.149 0.675 25694 5220 1 14 . 1 1 31 31 THR N N 31 118.685 118.685 117.299 1.386 25694 5221 1 14 . 1 1 31 31 THR HA H 31 4.796 4.796 4.876 -0.080 25694 5222 1 14 . 1 1 31 31 THR CA C 31 59.600 59.600 59.073 0.527 25694 5223 1 14 . 1 1 31 31 THR CB C 31 70.459 70.459 69.033 1.426 25694 5224 1 14 . 1 1 31 31 THR H H 31 8.456 8.456 7.812 0.644 25694 5225 1 14 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.312 -0.022 25694 5226 1 14 . 1 1 32 32 PRO C C 32 177.197 177.197 177.439 -0.242 25694 5227 1 14 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.666 0.175 25694 5228 1 14 . 1 1 32 32 PRO CB C 32 32.170 32.170 32.012 0.158 25694 5229 1 14 . 1 1 33 33 ASN N N 33 112.484 112.484 113.957 -1.473 25694 5230 1 14 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.670 -0.188 25694 5231 1 14 . 1 1 33 33 ASN C C 33 174.526 174.526 174.502 0.024 25694 5232 1 14 . 1 1 33 33 ASN CA C 33 54.945 54.945 52.776 2.169 25694 5233 1 14 . 1 1 33 33 ASN CB C 33 38.632 38.632 39.036 -0.404 25694 5234 1 14 . 1 1 33 33 ASN H H 33 8.470 8.470 8.649 -0.179 25694 5235 1 14 . 1 1 34 34 CYS N N 34 116.720 116.720 117.068 -0.348 25694 5236 1 14 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.605 0.322 25694 5237 1 14 . 1 1 34 34 CYS C C 34 173.762 173.762 172.539 1.223 25694 5238 1 14 . 1 1 34 34 CYS CA C 34 54.810 54.810 57.357 -2.547 25694 5239 1 14 . 1 1 34 34 CYS CB C 34 44.100 44.100 30.532 13.568 25694 5240 1 14 . 1 1 34 34 CYS H H 34 7.663 7.663 7.472 0.191 25694 5241 1 14 . 1 1 35 35 ALA N N 35 125.254 125.254 123.163 2.091 25694 5242 1 14 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.428 -0.131 25694 5243 1 14 . 1 1 35 35 ALA C C 35 176.882 176.882 176.457 0.425 25694 5244 1 14 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.706 0.707 25694 5245 1 14 . 1 1 35 35 ALA CB C 35 18.968 18.968 19.739 -0.771 25694 5246 1 14 . 1 1 35 35 ALA H H 35 8.449 8.449 8.291 0.158 25694 5247 1 14 . 1 1 36 36 LEU N N 36 122.078 122.078 122.103 -0.025 25694 5248 1 14 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.705 -0.304 25694 5249 1 14 . 1 1 36 36 LEU C C 36 176.442 176.442 176.405 0.037 25694 5250 1 14 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.880 1.871 25694 5251 1 14 . 1 1 36 36 LEU CB C 36 42.465 42.465 42.507 -0.042 25694 5252 1 14 . 1 1 36 36 LEU H H 36 8.073 8.073 8.247 -0.174 25694 5253 1 14 . 1 1 37 37 GLN N N 37 121.790 121.790 124.385 -2.595 25694 5254 1 14 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.725 0.023 25694 5255 1 14 . 1 1 37 37 GLN C C 37 173.804 173.804 174.725 -0.921 25694 5256 1 14 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.018 0.382 25694 5257 1 14 . 1 1 37 37 GLN CB C 37 32.463 32.463 32.547 -0.084 25694 5258 1 14 . 1 1 37 37 GLN H H 37 8.397 8.397 8.490 -0.093 25694 5259 1 14 . 1 1 38 38 ILE N N 38 123.702 123.702 121.650 2.052 25694 5260 1 14 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.586 0.159 25694 5261 1 14 . 1 1 38 38 ILE C C 38 174.808 174.808 175.087 -0.279 25694 5262 1 14 . 1 1 38 38 ILE CA C 38 60.950 60.950 59.031 1.919 25694 5263 1 14 . 1 1 38 38 ILE CB C 38 39.600 39.600 38.313 1.287 25694 5264 1 14 . 1 1 38 38 ILE H H 38 9.213 9.213 8.563 0.650 25694 5265 1 14 . 1 1 39 39 VAL N N 39 125.930 125.930 128.712 -2.782 25694 5266 1 14 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.731 0.285 25694 5267 1 14 . 1 1 39 39 VAL C C 39 174.741 174.741 173.911 0.830 25694 5268 1 14 . 1 1 39 39 VAL CA C 39 60.950 60.950 60.956 -0.006 25694 5269 1 14 . 1 1 39 39 VAL CB C 39 34.426 34.426 33.784 0.642 25694 5270 1 14 . 1 1 39 39 VAL H H 39 9.056 9.056 8.840 0.216 25694 5271 1 14 . 1 1 40 40 ALA N N 40 127.551 127.551 130.074 -2.523 25694 5272 1 14 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.098 0.234 25694 5273 1 14 . 1 1 40 40 ALA C C 40 175.948 175.948 175.208 0.740 25694 5274 1 14 . 1 1 40 40 ALA CA C 40 50.280 50.280 50.095 0.185 25694 5275 1 14 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.522 0.541 25694 5276 1 14 . 1 1 40 40 ALA H H 40 9.335 9.335 9.424 -0.089 25694 5277 1 14 . 1 1 41 41 ARG N N 41 118.658 118.658 120.571 -1.913 25694 5278 1 14 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.382 -0.163 25694 5279 1 14 . 1 1 41 41 ARG C C 41 176.310 176.310 175.476 0.834 25694 5280 1 14 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.101 0.999 25694 5281 1 14 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.396 1.032 25694 5282 1 14 . 1 1 41 41 ARG H H 41 8.511 8.511 9.077 -0.566 25694 5283 1 14 . 1 1 42 42 LEU N N 42 125.307 125.307 127.055 -1.748 25694 5284 1 14 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.694 0.232 25694 5285 1 14 . 1 1 42 42 LEU C C 42 178.475 178.475 176.729 1.746 25694 5286 1 14 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.050 -0.721 25694 5287 1 14 . 1 1 42 42 LEU CB C 42 41.497 41.497 43.562 -2.065 25694 5288 1 14 . 1 1 42 42 LEU H H 42 9.038 9.038 8.931 0.107 25694 5289 1 14 . 1 1 43 43 LYS N N 43 120.597 120.597 125.069 -4.472 25694 5290 1 14 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.865 -0.032 25694 5291 1 14 . 1 1 43 43 LYS C C 43 178.342 178.342 178.657 -0.315 25694 5292 1 14 . 1 1 43 43 LYS CA C 43 59.340 59.340 60.174 -0.834 25694 5293 1 14 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.434 1.010 25694 5294 1 14 . 1 1 43 43 LYS H H 43 8.480 8.480 8.736 -0.256 25694 5295 1 14 . 1 1 44 44 ASN N N 44 114.812 114.812 115.773 -0.961 25694 5296 1 14 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.545 -0.069 25694 5297 1 14 . 1 1 44 44 ASN C C 44 176.032 176.032 176.376 -0.344 25694 5298 1 14 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.283 0.497 25694 5299 1 14 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.512 -0.005 25694 5300 1 14 . 1 1 44 44 ASN H H 44 8.725 8.725 8.497 0.228 25694 5301 1 14 . 1 1 45 45 ASN N N 45 115.093 115.093 116.926 -1.833 25694 5302 1 14 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.679 0.059 25694 5303 1 14 . 1 1 45 45 ASN C C 45 175.513 175.513 174.832 0.681 25694 5304 1 14 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.435 0.334 25694 5305 1 14 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.871 0.340 25694 5306 1 14 . 1 1 45 45 ASN H H 45 7.519 7.519 8.014 -0.495 25694 5307 1 14 . 1 1 46 46 ASN N N 46 116.121 116.121 113.972 2.149 25694 5308 1 14 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.406 0.263 25694 5309 1 14 . 1 1 46 46 ASN C C 46 174.816 174.816 174.315 0.501 25694 5310 1 14 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.856 -0.056 25694 5311 1 14 . 1 1 46 46 ASN CB C 46 39.279 39.279 36.693 2.586 25694 5312 1 14 . 1 1 46 46 ASN H H 46 8.033 8.033 7.802 0.231 25694 5313 1 14 . 1 1 47 47 ARG N N 47 119.917 119.917 118.006 1.911 25694 5314 1 14 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.391 -0.138 25694 5315 1 14 . 1 1 47 47 ARG C C 47 175.845 175.845 175.957 -0.112 25694 5316 1 14 . 1 1 47 47 ARG CA C 47 57.084 57.084 55.384 1.700 25694 5317 1 14 . 1 1 47 47 ARG CB C 47 31.785 31.785 31.030 0.755 25694 5318 1 14 . 1 1 47 47 ARG H H 47 7.981 7.981 7.664 0.317 25694 5319 1 14 . 1 1 48 48 GLN N N 48 123.497 123.497 121.278 2.219 25694 5320 1 14 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.105 0.137 25694 5321 1 14 . 1 1 48 48 GLN C C 48 175.629 175.629 174.985 0.644 25694 5322 1 14 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.141 0.639 25694 5323 1 14 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.162 1.028 25694 5324 1 14 . 1 1 48 48 GLN H H 48 8.737 8.737 8.531 0.206 25694 5325 1 14 . 1 1 49 49 VAL N N 49 119.819 119.819 125.887 -6.068 25694 5326 1 14 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.606 0.167 25694 5327 1 14 . 1 1 49 49 VAL C C 49 174.235 174.235 173.807 0.428 25694 5328 1 14 . 1 1 49 49 VAL CA C 49 59.266 59.266 59.721 -0.455 25694 5329 1 14 . 1 1 49 49 VAL CB C 49 36.000 36.000 35.865 0.135 25694 5330 1 14 . 1 1 49 49 VAL H H 49 9.150 9.150 9.270 -0.120 25694 5331 1 14 . 1 1 50 50 CYS N N 50 120.721 120.721 125.061 -4.340 25694 5332 1 14 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.616 0.037 25694 5333 1 14 . 1 1 50 50 CYS C C 50 174.078 174.078 175.128 -1.050 25694 5334 1 14 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.747 -1.319 25694 5335 1 14 . 1 1 50 50 CYS CB C 50 45.270 45.270 28.204 17.066 25694 5336 1 14 . 1 1 50 50 CYS H H 50 8.854 8.854 8.938 -0.084 25694 5337 1 14 . 1 1 51 51 ILE N N 51 124.038 124.038 122.787 1.251 25694 5338 1 14 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.518 -0.008 25694 5339 1 14 . 1 1 51 51 ILE C C 51 174.775 174.775 174.640 0.135 25694 5340 1 14 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.327 -1.027 25694 5341 1 14 . 1 1 51 51 ILE CB C 51 39.603 39.603 40.536 -0.933 25694 5342 1 14 . 1 1 51 51 ILE H H 51 8.934 8.934 8.963 -0.029 25694 5343 1 14 . 1 1 52 52 ASP N N 52 127.393 127.393 124.205 3.188 25694 5344 1 14 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.201 -0.456 25694 5345 1 14 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.277 0.613 25694 5346 1 14 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.753 0.409 25694 5347 1 14 . 1 1 52 52 ASP H H 52 8.098 8.098 8.066 0.032 25694 5348 1 14 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.170 -0.085 25694 5349 1 14 . 1 1 53 53 PRO C C 53 176.500 176.500 176.134 0.366 25694 5350 1 14 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.563 0.947 25694 5351 1 14 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.439 0.833 25694 5352 1 14 . 1 1 54 54 LYS N N 54 116.899 116.899 117.140 -0.241 25694 5353 1 14 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.363 -0.158 25694 5354 1 14 . 1 1 54 54 LYS C C 54 176.791 176.791 177.157 -0.366 25694 5355 1 14 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.824 -0.124 25694 5356 1 14 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.481 -1.681 25694 5357 1 14 . 1 1 54 54 LYS H H 54 8.129 8.129 8.210 -0.081 25694 5358 1 14 . 1 1 55 55 CYS N N 55 119.988 119.988 118.040 1.948 25694 5359 1 14 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.481 -0.084 25694 5360 1 14 . 1 1 55 55 CYS CA C 55 57.075 57.075 56.471 0.604 25694 5361 1 14 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.484 13.060 25694 5362 1 14 . 1 1 55 55 CYS H H 55 7.989 7.989 7.416 0.573 25694 5363 1 14 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.175 -0.048 25694 5364 1 14 . 1 1 56 56 LYS C C 56 178.326 178.326 178.536 -0.210 25694 5365 1 14 . 1 1 56 56 LYS CA C 56 60.600 60.600 58.758 1.842 25694 5366 1 14 . 1 1 56 56 LYS CB C 56 32.800 32.800 33.142 -0.342 25694 5367 1 14 . 1 1 57 57 TRP N N 57 114.860 114.860 118.400 -3.540 25694 5368 1 14 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.558 0.347 25694 5369 1 14 . 1 1 57 57 TRP C C 57 177.803 177.803 177.434 0.369 25694 5370 1 14 . 1 1 57 57 TRP CA C 57 56.240 56.240 58.715 -2.475 25694 5371 1 14 . 1 1 57 57 TRP CB C 57 28.925 28.925 27.944 0.981 25694 5372 1 14 . 1 1 57 57 TRP H H 57 7.274 7.274 8.106 -0.832 25694 5373 1 14 . 1 1 58 58 CYS N N 58 121.960 121.960 116.946 5.014 25694 5374 1 14 . 1 1 58 58 CYS HA H 58 3.917 3.917 4.212 -0.295 25694 5375 1 14 . 1 1 58 58 CYS C C 58 175.480 175.480 177.195 -1.715 25694 5376 1 14 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.319 4.516 25694 5377 1 14 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.976 10.391 25694 5378 1 14 . 1 1 58 58 CYS H H 58 7.780 7.780 7.494 0.286 25694 5379 1 14 . 1 1 59 59 GLN N N 59 119.203 119.203 119.093 0.110 25694 5380 1 14 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.940 0.007 25694 5381 1 14 . 1 1 59 59 GLN C C 59 178.152 178.152 178.694 -0.542 25694 5382 1 14 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.546 1.117 25694 5383 1 14 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.635 0.337 25694 5384 1 14 . 1 1 59 59 GLN H H 59 8.073 8.073 7.887 0.186 25694 5385 1 14 . 1 1 60 60 GLU N N 60 118.831 118.831 119.461 -0.630 25694 5386 1 14 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.182 -0.061 25694 5387 1 14 . 1 1 60 60 GLU C C 60 178.367 178.367 178.762 -0.395 25694 5388 1 14 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.570 0.770 25694 5389 1 14 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.399 0.497 25694 5390 1 14 . 1 1 60 60 GLU H H 60 8.085 8.085 7.840 0.245 25694 5391 1 14 . 1 1 61 61 TYR N N 61 118.802 118.802 121.524 -2.722 25694 5392 1 14 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.251 0.079 25694 5393 1 14 . 1 1 61 61 TYR C C 61 177.629 177.629 177.528 0.101 25694 5394 1 14 . 1 1 61 61 TYR CA C 61 61.281 61.281 61.125 0.156 25694 5395 1 14 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.295 0.661 25694 5396 1 14 . 1 1 61 61 TYR H H 61 7.666 7.666 7.865 -0.199 25694 5397 1 14 . 1 1 62 62 LEU N N 62 119.351 119.351 119.329 0.022 25694 5398 1 14 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.156 0.711 25694 5399 1 14 . 1 1 62 62 LEU C C 62 178.724 178.724 179.173 -0.449 25694 5400 1 14 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.654 -0.035 25694 5401 1 14 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.229 0.961 25694 5402 1 14 . 1 1 62 62 LEU H H 62 8.275 8.275 8.529 -0.254 25694 5403 1 14 . 1 1 63 63 GLU N N 63 118.049 118.049 117.502 0.547 25694 5404 1 14 . 1 1 63 63 GLU HA H 63 3.997 3.997 3.969 0.028 25694 5405 1 14 . 1 1 63 63 GLU C C 63 178.649 178.649 178.602 0.047 25694 5406 1 14 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.814 0.329 25694 5407 1 14 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.141 0.755 25694 5408 1 14 . 1 1 63 63 GLU H H 63 8.066 8.066 7.603 0.463 25694 5409 1 14 . 1 1 64 64 LYS N N 64 117.297 117.297 117.979 -0.682 25694 5410 1 14 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.239 -0.011 25694 5411 1 14 . 1 1 64 64 LYS C C 64 178.085 178.085 178.928 -0.843 25694 5412 1 14 . 1 1 64 64 LYS CA C 64 57.820 57.820 58.144 -0.324 25694 5413 1 14 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.551 0.257 25694 5414 1 14 . 1 1 64 64 LYS H H 64 7.572 7.572 7.448 0.124 25694 5415 1 14 . 1 1 65 65 ALA N N 65 121.570 121.570 123.153 -1.583 25694 5416 1 14 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.254 -0.080 25694 5417 1 14 . 1 1 65 65 ALA C C 65 178.707 178.707 179.756 -1.049 25694 5418 1 14 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.487 -0.688 25694 5419 1 14 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.045 1.489 25694 5420 1 14 . 1 1 65 65 ALA H H 65 7.964 7.964 8.349 -0.385 25694 5421 1 14 . 1 1 66 66 LEU N N 66 117.399 117.399 118.326 -0.927 25694 5422 1 14 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.941 0.384 25694 5423 1 14 . 1 1 66 66 LEU C C 66 177.264 177.264 178.140 -0.876 25694 5424 1 14 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.999 -1.542 25694 5425 1 14 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.689 0.811 25694 5426 1 14 . 1 1 66 66 LEU H H 66 7.888 7.888 7.801 0.087 25694 5427 1 14 . 1 1 67 67 ASN N N 67 118.846 118.846 115.339 3.507 25694 5428 1 14 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.842 -0.072 25694 5429 1 14 . 1 1 67 67 ASN C C 67 174.094 174.094 174.023 0.071 25694 5430 1 14 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.629 0.805 25694 5431 1 14 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.049 0.230 25694 5432 1 14 . 1 1 67 67 ASN H H 67 7.959 7.959 7.781 0.178 25694 5433 1 15 . 1 1 0 0 MET HA H 0 4.501 4.501 4.658 -0.157 25694 5434 1 15 . 1 1 0 0 MET C C 0 176.102 176.102 175.282 0.820 25694 5435 1 15 . 1 1 0 0 MET CA C 0 55.781 55.781 55.632 0.149 25694 5436 1 15 . 1 1 0 0 MET CB C 0 33.455 33.455 34.704 -1.249 25694 5437 1 15 . 1 1 1 1 LYS N N 1 124.708 124.708 125.391 -0.683 25694 5438 1 15 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.618 0.020 25694 5439 1 15 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.207 0.279 25694 5440 1 15 . 1 1 1 1 LYS CB C 1 32.808 32.808 32.570 0.238 25694 5441 1 15 . 1 1 1 1 LYS H H 1 8.503 8.503 8.354 0.149 25694 5442 1 15 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.309 0.175 25694 5443 1 15 . 1 1 2 2 PRO C C 2 177.031 177.031 175.758 1.273 25694 5444 1 15 . 1 1 2 2 PRO CA C 2 63.200 63.200 63.757 -0.557 25694 5445 1 15 . 1 1 2 2 PRO CB C 2 32.161 32.161 31.835 0.326 25694 5446 1 15 . 1 1 3 3 VAL N N 3 120.641 120.641 123.774 -3.133 25694 5447 1 15 . 1 1 3 3 VAL HA H 3 4.119 4.119 4.195 -0.076 25694 5448 1 15 . 1 1 3 3 VAL C C 3 176.393 176.393 176.600 -0.207 25694 5449 1 15 . 1 1 3 3 VAL CA C 3 62.495 62.495 63.621 -1.127 25694 5450 1 15 . 1 1 3 3 VAL CB C 3 33.100 33.100 33.316 -0.216 25694 5451 1 15 . 1 1 3 3 VAL H H 3 8.290 8.290 8.203 0.087 25694 5452 1 15 . 1 1 4 4 SER N N 4 119.097 119.097 116.435 2.662 25694 5453 1 15 . 1 1 4 4 SER HA H 4 4.470 4.470 4.525 -0.055 25694 5454 1 15 . 1 1 4 4 SER C C 4 174.617 174.617 175.071 -0.454 25694 5455 1 15 . 1 1 4 4 SER CA C 4 58.369 58.369 59.233 -0.864 25694 5456 1 15 . 1 1 4 4 SER CB C 4 64.187 64.187 62.606 1.581 25694 5457 1 15 . 1 1 4 4 SER H H 4 8.349 8.349 8.638 -0.289 25694 5458 1 15 . 1 1 5 5 LEU N N 5 124.723 124.723 117.219 7.504 25694 5459 1 15 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.491 -0.111 25694 5460 1 15 . 1 1 5 5 LEU C C 5 177.355 177.355 177.682 -0.327 25694 5461 1 15 . 1 1 5 5 LEU CA C 5 55.388 55.388 56.174 -0.786 25694 5462 1 15 . 1 1 5 5 LEU CB C 5 42.515 42.515 41.757 0.758 25694 5463 1 15 . 1 1 5 5 LEU H H 5 8.339 8.339 7.607 0.732 25694 5464 1 15 . 1 1 6 6 SER N N 6 115.926 115.926 115.451 0.475 25694 5465 1 15 . 1 1 6 6 SER HA H 6 4.414 4.414 4.545 -0.131 25694 5466 1 15 . 1 1 6 6 SER C C 6 174.235 174.235 174.403 -0.168 25694 5467 1 15 . 1 1 6 6 SER CA C 6 58.369 58.369 56.256 2.113 25694 5468 1 15 . 1 1 6 6 SER CB C 6 64.187 64.187 61.750 2.437 25694 5469 1 15 . 1 1 6 6 SER H H 6 8.199 8.199 7.781 0.418 25694 5470 1 15 . 1 1 7 7 TYR N N 7 122.124 122.124 123.579 -1.455 25694 5471 1 15 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.708 -0.132 25694 5472 1 15 . 1 1 7 7 TYR C C 7 175.530 175.530 175.908 -0.378 25694 5473 1 15 . 1 1 7 7 TYR CA C 7 58.008 58.008 58.336 -0.328 25694 5474 1 15 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.759 0.210 25694 5475 1 15 . 1 1 7 7 TYR H H 7 8.049 8.049 7.602 0.447 25694 5476 1 15 . 1 1 8 8 ARG N N 8 121.947 121.947 116.359 5.588 25694 5477 1 15 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.403 -0.077 25694 5478 1 15 . 1 1 8 8 ARG C C 8 175.845 175.845 173.787 2.058 25694 5479 1 15 . 1 1 8 8 ARG CA C 8 56.104 56.104 54.163 1.941 25694 5480 1 15 . 1 1 8 8 ARG CB C 8 31.100 31.100 32.964 -1.864 25694 5481 1 15 . 1 1 8 8 ARG H H 8 8.177 8.177 6.926 1.251 25694 5482 1 15 . 1 1 9 9 CYS N N 9 120.943 120.943 120.915 0.028 25694 5483 1 15 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.555 0.399 25694 5484 1 15 . 1 1 9 9 CYS CA C 9 53.127 53.127 57.281 -4.154 25694 5485 1 15 . 1 1 9 9 CYS CB C 9 40.218 40.218 25.837 14.381 25694 5486 1 15 . 1 1 9 9 CYS H H 9 8.173 8.173 8.406 -0.233 25694 5487 1 15 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.352 -0.000 25694 5488 1 15 . 1 1 10 10 PRO C C 10 177.347 177.347 177.000 0.347 25694 5489 1 15 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.805 1.054 25694 5490 1 15 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.291 0.217 25694 5491 1 15 . 1 1 11 11 CYS N N 11 114.096 114.096 116.318 -2.222 25694 5492 1 15 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.542 0.183 25694 5493 1 15 . 1 1 11 11 CYS CA C 11 53.429 53.429 57.921 -4.492 25694 5494 1 15 . 1 1 11 11 CYS CB C 11 39.279 39.279 25.301 13.978 25694 5495 1 15 . 1 1 11 11 CYS H H 11 8.232 8.232 7.908 0.324 25694 5496 1 15 . 1 1 12 12 ARG HA H 12 4.069 4.069 3.977 0.092 25694 5497 1 15 . 1 1 12 12 ARG C C 12 175.106 175.106 174.764 0.342 25694 5498 1 15 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.682 0.318 25694 5499 1 15 . 1 1 12 12 ARG CB C 12 31.500 31.500 31.194 0.306 25694 5500 1 15 . 1 1 13 13 PHE N N 13 116.259 116.259 118.086 -1.827 25694 5501 1 15 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.424 0.206 25694 5502 1 15 . 1 1 13 13 PHE C C 13 174.227 174.227 174.035 0.192 25694 5503 1 15 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.563 -0.592 25694 5504 1 15 . 1 1 13 13 PHE CB C 13 41.059 41.059 41.240 -0.181 25694 5505 1 15 . 1 1 13 13 PHE H H 13 7.572 7.572 7.728 -0.156 25694 5506 1 15 . 1 1 14 14 PHE N N 14 119.623 119.623 119.397 0.226 25694 5507 1 15 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.686 0.250 25694 5508 1 15 . 1 1 14 14 PHE C C 14 175.496 175.496 175.348 0.148 25694 5509 1 15 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.713 -0.566 25694 5510 1 15 . 1 1 14 14 PHE CB C 14 41.544 41.544 41.143 0.401 25694 5511 1 15 . 1 1 14 14 PHE H H 14 8.450 8.450 8.459 -0.009 25694 5512 1 15 . 1 1 15 15 GLU N N 15 122.147 122.147 121.192 0.955 25694 5513 1 15 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.736 -0.101 25694 5514 1 15 . 1 1 15 15 GLU C C 15 176.990 176.990 175.452 1.538 25694 5515 1 15 . 1 1 15 15 GLU CA C 15 55.780 55.780 55.229 0.551 25694 5516 1 15 . 1 1 15 15 GLU CB C 15 31.109 31.109 31.953 -0.844 25694 5517 1 15 . 1 1 15 15 GLU H H 15 8.956 8.956 9.076 -0.120 25694 5518 1 15 . 1 1 16 16 SER N N 16 119.943 119.943 116.386 3.557 25694 5519 1 15 . 1 1 16 16 SER HA H 16 4.598 4.598 4.642 -0.044 25694 5520 1 15 . 1 1 16 16 SER C C 16 174.385 174.385 174.186 0.199 25694 5521 1 15 . 1 1 16 16 SER CA C 16 59.799 59.799 57.591 2.208 25694 5522 1 15 . 1 1 16 16 SER CB C 16 64.517 64.517 64.558 -0.041 25694 5523 1 15 . 1 1 16 16 SER H H 16 8.943 8.943 8.306 0.637 25694 5524 1 15 . 1 1 17 17 HIS N N 17 119.124 119.124 115.642 3.482 25694 5525 1 15 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.353 0.347 25694 5526 1 15 . 1 1 17 17 HIS C C 17 174.567 174.567 173.988 0.579 25694 5527 1 15 . 1 1 17 17 HIS CA C 17 56.751 56.751 56.433 0.318 25694 5528 1 15 . 1 1 17 17 HIS CB C 17 29.896 29.896 28.542 1.354 25694 5529 1 15 . 1 1 17 17 HIS H H 17 8.649 8.649 8.414 0.235 25694 5530 1 15 . 1 1 18 18 VAL N N 18 121.960 121.960 120.063 1.897 25694 5531 1 15 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.238 -0.081 25694 5532 1 15 . 1 1 18 18 VAL C C 18 175.140 175.140 175.642 -0.502 25694 5533 1 15 . 1 1 18 18 VAL CA C 18 61.928 61.928 62.480 -0.552 25694 5534 1 15 . 1 1 18 18 VAL CB C 18 33.700 33.700 31.459 2.241 25694 5535 1 15 . 1 1 18 18 VAL H H 18 7.876 7.876 7.924 -0.048 25694 5536 1 15 . 1 1 19 19 ALA N N 19 132.226 132.226 130.503 1.723 25694 5537 1 15 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.682 -0.167 25694 5538 1 15 . 1 1 19 19 ALA C C 19 178.060 178.060 177.551 0.509 25694 5539 1 15 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.457 1.043 25694 5540 1 15 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.876 -1.992 25694 5541 1 15 . 1 1 19 19 ALA H H 19 8.843 8.843 8.497 0.346 25694 5542 1 15 . 1 1 20 20 ARG N N 20 125.791 125.791 124.733 1.058 25694 5543 1 15 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.233 -0.396 25694 5544 1 15 . 1 1 20 20 ARG C C 20 178.459 178.459 177.424 1.035 25694 5545 1 15 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.082 0.557 25694 5546 1 15 . 1 1 20 20 ARG CB C 20 28.925 28.925 28.804 0.121 25694 5547 1 15 . 1 1 20 20 ARG H H 20 8.196 8.196 7.961 0.235 25694 5548 1 15 . 1 1 21 21 ALA N N 21 117.396 117.396 120.240 -2.844 25694 5549 1 15 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.011 0.071 25694 5550 1 15 . 1 1 21 21 ALA C C 21 177.745 177.745 177.868 -0.123 25694 5551 1 15 . 1 1 21 21 ALA CA C 21 53.809 53.809 54.364 -0.555 25694 5552 1 15 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.408 0.476 25694 5553 1 15 . 1 1 21 21 ALA H H 21 8.309 8.309 8.187 0.122 25694 5554 1 15 . 1 1 22 22 ASN N N 22 113.201 113.201 114.064 -0.863 25694 5555 1 15 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.720 0.254 25694 5556 1 15 . 1 1 22 22 ASN C C 22 174.999 174.999 174.351 0.648 25694 5557 1 15 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.758 -0.168 25694 5558 1 15 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.823 0.077 25694 5559 1 15 . 1 1 22 22 ASN H H 22 7.796 7.796 8.112 -0.316 25694 5560 1 15 . 1 1 23 23 VAL N N 23 117.829 117.829 112.994 4.835 25694 5561 1 15 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.939 -0.451 25694 5562 1 15 . 1 1 23 23 VAL C C 23 174.393 174.393 175.125 -0.732 25694 5563 1 15 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.368 1.882 25694 5564 1 15 . 1 1 23 23 VAL CB C 23 33.700 33.700 35.089 -1.389 25694 5565 1 15 . 1 1 23 23 VAL H H 23 7.477 7.477 7.285 0.192 25694 5566 1 15 . 1 1 24 24 LYS N N 24 123.962 123.962 123.101 0.861 25694 5567 1 15 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.417 0.063 25694 5568 1 15 . 1 1 24 24 LYS C C 24 175.090 175.090 176.235 -1.145 25694 5569 1 15 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.547 -0.443 25694 5570 1 15 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.797 1.599 25694 5571 1 15 . 1 1 24 24 LYS H H 24 9.276 9.276 8.677 0.599 25694 5572 1 15 . 1 1 25 25 HIS N N 25 115.921 115.921 118.436 -2.515 25694 5573 1 15 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.892 -0.189 25694 5574 1 15 . 1 1 25 25 HIS C C 25 173.364 173.364 172.632 0.732 25694 5575 1 15 . 1 1 25 25 HIS CA C 25 55.781 55.781 56.018 -0.237 25694 5576 1 15 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.335 -0.174 25694 5577 1 15 . 1 1 25 25 HIS H H 25 7.964 7.964 7.630 0.334 25694 5578 1 15 . 1 1 26 26 LEU N N 26 122.215 122.215 125.795 -3.580 25694 5579 1 15 . 1 1 26 26 LEU HA H 26 4.968 4.968 4.966 0.002 25694 5580 1 15 . 1 1 26 26 LEU C C 26 175.720 175.720 175.645 0.075 25694 5581 1 15 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.393 2.064 25694 5582 1 15 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.689 -0.095 25694 5583 1 15 . 1 1 26 26 LEU H H 26 8.076 8.076 8.423 -0.347 25694 5584 1 15 . 1 1 27 27 LYS N N 27 122.738 122.738 119.708 3.030 25694 5585 1 15 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.598 0.171 25694 5586 1 15 . 1 1 27 27 LYS C C 27 173.953 173.953 174.735 -0.782 25694 5587 1 15 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.733 0.397 25694 5588 1 15 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.858 0.442 25694 5589 1 15 . 1 1 27 27 LYS H H 27 9.113 9.113 8.884 0.229 25694 5590 1 15 . 1 1 28 28 ILE N N 28 122.212 122.212 122.358 -0.146 25694 5591 1 15 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.388 0.388 25694 5592 1 15 . 1 1 28 28 ILE C C 28 175.895 175.895 175.755 0.140 25694 5593 1 15 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.723 0.477 25694 5594 1 15 . 1 1 28 28 ILE CB C 28 39.200 39.200 37.836 1.364 25694 5595 1 15 . 1 1 28 28 ILE H H 28 8.535 8.535 8.572 -0.037 25694 5596 1 15 . 1 1 29 29 LEU N N 29 128.977 128.977 131.970 -2.993 25694 5597 1 15 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.555 0.160 25694 5598 1 15 . 1 1 29 29 LEU C C 29 175.438 175.438 174.851 0.587 25694 5599 1 15 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.113 0.987 25694 5600 1 15 . 1 1 29 29 LEU CB C 29 44.132 44.132 40.615 3.517 25694 5601 1 15 . 1 1 29 29 LEU H H 29 9.137 9.137 8.664 0.473 25694 5602 1 15 . 1 1 30 30 ASN N N 30 124.331 124.331 124.064 0.267 25694 5603 1 15 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.927 0.218 25694 5604 1 15 . 1 1 30 30 ASN C C 30 174.335 174.335 174.231 0.104 25694 5605 1 15 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.936 0.477 25694 5606 1 15 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.858 0.741 25694 5607 1 15 . 1 1 30 30 ASN H H 30 8.824 8.824 8.188 0.636 25694 5608 1 15 . 1 1 31 31 THR N N 31 118.685 118.685 116.688 1.997 25694 5609 1 15 . 1 1 31 31 THR HA H 31 4.796 4.796 4.893 -0.097 25694 5610 1 15 . 1 1 31 31 THR CA C 31 59.600 59.600 58.460 1.140 25694 5611 1 15 . 1 1 31 31 THR CB C 31 70.459 70.459 70.418 0.041 25694 5612 1 15 . 1 1 31 31 THR H H 31 8.456 8.456 7.809 0.647 25694 5613 1 15 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.430 -0.140 25694 5614 1 15 . 1 1 32 32 PRO C C 32 177.197 177.197 176.665 0.532 25694 5615 1 15 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.067 0.774 25694 5616 1 15 . 1 1 32 32 PRO CB C 32 32.170 32.170 32.133 0.037 25694 5617 1 15 . 1 1 33 33 ASN N N 33 112.484 112.484 115.512 -3.028 25694 5618 1 15 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.654 -0.172 25694 5619 1 15 . 1 1 33 33 ASN C C 33 174.526 174.526 175.132 -0.606 25694 5620 1 15 . 1 1 33 33 ASN CA C 33 54.945 54.945 54.132 0.813 25694 5621 1 15 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.488 0.144 25694 5622 1 15 . 1 1 33 33 ASN H H 33 8.470 8.470 8.296 0.174 25694 5623 1 15 . 1 1 34 34 CYS N N 34 116.720 116.720 119.884 -3.164 25694 5624 1 15 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.459 0.468 25694 5625 1 15 . 1 1 34 34 CYS C C 34 173.762 173.762 173.770 -0.008 25694 5626 1 15 . 1 1 34 34 CYS CA C 34 54.810 54.810 58.273 -3.463 25694 5627 1 15 . 1 1 34 34 CYS CB C 34 44.100 44.100 28.919 15.181 25694 5628 1 15 . 1 1 34 34 CYS H H 34 7.663 7.663 7.808 -0.145 25694 5629 1 15 . 1 1 35 35 ALA N N 35 125.254 125.254 120.912 4.342 25694 5630 1 15 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.555 -0.258 25694 5631 1 15 . 1 1 35 35 ALA C C 35 176.882 176.882 175.005 1.877 25694 5632 1 15 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.189 1.224 25694 5633 1 15 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.794 -1.826 25694 5634 1 15 . 1 1 35 35 ALA H H 35 8.449 8.449 8.141 0.308 25694 5635 1 15 . 1 1 36 36 LEU N N 36 122.078 122.078 121.506 0.572 25694 5636 1 15 . 1 1 36 36 LEU HA H 36 4.401 4.401 5.216 -0.815 25694 5637 1 15 . 1 1 36 36 LEU C C 36 176.442 176.442 175.734 0.708 25694 5638 1 15 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.285 2.466 25694 5639 1 15 . 1 1 36 36 LEU CB C 36 42.465 42.465 42.505 -0.041 25694 5640 1 15 . 1 1 36 36 LEU H H 36 8.073 8.073 8.485 -0.412 25694 5641 1 15 . 1 1 37 37 GLN N N 37 121.790 121.790 126.009 -4.219 25694 5642 1 15 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.767 -0.019 25694 5643 1 15 . 1 1 37 37 GLN C C 37 173.804 173.804 174.535 -0.731 25694 5644 1 15 . 1 1 37 37 GLN CA C 37 54.400 54.400 53.945 0.455 25694 5645 1 15 . 1 1 37 37 GLN CB C 37 32.463 32.463 33.443 -0.980 25694 5646 1 15 . 1 1 37 37 GLN H H 37 8.397 8.397 9.110 -0.713 25694 5647 1 15 . 1 1 38 38 ILE N N 38 123.702 123.702 122.411 1.291 25694 5648 1 15 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.736 0.009 25694 5649 1 15 . 1 1 38 38 ILE C C 38 174.808 174.808 175.595 -0.787 25694 5650 1 15 . 1 1 38 38 ILE CA C 38 60.950 60.950 58.873 2.077 25694 5651 1 15 . 1 1 38 38 ILE CB C 38 39.600 39.600 37.683 1.917 25694 5652 1 15 . 1 1 38 38 ILE H H 38 9.213 9.213 8.524 0.689 25694 5653 1 15 . 1 1 39 39 VAL N N 39 125.930 125.930 128.951 -3.021 25694 5654 1 15 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.375 0.641 25694 5655 1 15 . 1 1 39 39 VAL C C 39 174.741 174.741 173.906 0.835 25694 5656 1 15 . 1 1 39 39 VAL CA C 39 60.950 60.950 61.330 -0.380 25694 5657 1 15 . 1 1 39 39 VAL CB C 39 34.426 34.426 33.104 1.322 25694 5658 1 15 . 1 1 39 39 VAL H H 39 9.056 9.056 8.483 0.573 25694 5659 1 15 . 1 1 40 40 ALA N N 40 127.551 127.551 130.321 -2.770 25694 5660 1 15 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.213 0.119 25694 5661 1 15 . 1 1 40 40 ALA C C 40 175.948 175.948 175.393 0.555 25694 5662 1 15 . 1 1 40 40 ALA CA C 40 50.280 50.280 50.243 0.037 25694 5663 1 15 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.438 0.625 25694 5664 1 15 . 1 1 40 40 ALA H H 40 9.335 9.335 9.507 -0.172 25694 5665 1 15 . 1 1 41 41 ARG N N 41 118.658 118.658 121.352 -2.694 25694 5666 1 15 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.065 0.154 25694 5667 1 15 . 1 1 41 41 ARG C C 41 176.310 176.310 175.318 0.992 25694 5668 1 15 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.349 0.751 25694 5669 1 15 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.913 0.515 25694 5670 1 15 . 1 1 41 41 ARG H H 41 8.511 8.511 9.068 -0.557 25694 5671 1 15 . 1 1 42 42 LEU N N 42 125.307 125.307 125.589 -0.282 25694 5672 1 15 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.621 0.305 25694 5673 1 15 . 1 1 42 42 LEU C C 42 178.475 178.475 178.134 0.341 25694 5674 1 15 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.881 -1.552 25694 5675 1 15 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.041 -0.543 25694 5676 1 15 . 1 1 42 42 LEU H H 42 9.038 9.038 9.070 -0.032 25694 5677 1 15 . 1 1 43 43 LYS N N 43 120.597 120.597 124.572 -3.975 25694 5678 1 15 . 1 1 43 43 LYS HA H 43 3.833 3.833 4.024 -0.191 25694 5679 1 15 . 1 1 43 43 LYS C C 43 178.342 178.342 177.913 0.429 25694 5680 1 15 . 1 1 43 43 LYS CA C 43 59.340 59.340 59.825 -0.485 25694 5681 1 15 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.483 0.962 25694 5682 1 15 . 1 1 43 43 LYS H H 43 8.480 8.480 8.789 -0.309 25694 5683 1 15 . 1 1 44 44 ASN N N 44 114.812 114.812 115.893 -1.081 25694 5684 1 15 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.623 -0.147 25694 5685 1 15 . 1 1 44 44 ASN C C 44 176.032 176.032 176.354 -0.322 25694 5686 1 15 . 1 1 44 44 ASN CA C 44 55.780 55.780 54.840 0.939 25694 5687 1 15 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.771 -0.264 25694 5688 1 15 . 1 1 44 44 ASN H H 44 8.725 8.725 8.308 0.417 25694 5689 1 15 . 1 1 45 45 ASN N N 45 115.093 115.093 117.608 -2.515 25694 5690 1 15 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.602 0.136 25694 5691 1 15 . 1 1 45 45 ASN C C 45 175.513 175.513 174.907 0.606 25694 5692 1 15 . 1 1 45 45 ASN CA C 45 52.769 52.769 53.213 -0.444 25694 5693 1 15 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.831 0.379 25694 5694 1 15 . 1 1 45 45 ASN H H 45 7.519 7.519 8.154 -0.635 25694 5695 1 15 . 1 1 46 46 ASN N N 46 116.121 116.121 113.859 2.262 25694 5696 1 15 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.634 0.035 25694 5697 1 15 . 1 1 46 46 ASN C C 46 174.816 174.816 173.864 0.952 25694 5698 1 15 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.469 0.331 25694 5699 1 15 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.397 1.882 25694 5700 1 15 . 1 1 46 46 ASN H H 46 8.033 8.033 8.417 -0.384 25694 5701 1 15 . 1 1 47 47 ARG N N 47 119.917 119.917 117.014 2.903 25694 5702 1 15 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.443 -0.190 25694 5703 1 15 . 1 1 47 47 ARG C C 47 175.845 175.845 175.338 0.507 25694 5704 1 15 . 1 1 47 47 ARG CA C 47 57.084 57.084 54.986 2.098 25694 5705 1 15 . 1 1 47 47 ARG CB C 47 31.785 31.785 31.164 0.621 25694 5706 1 15 . 1 1 47 47 ARG H H 47 7.981 7.981 7.846 0.135 25694 5707 1 15 . 1 1 48 48 GLN N N 48 123.497 123.497 123.832 -0.335 25694 5708 1 15 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.421 -0.179 25694 5709 1 15 . 1 1 48 48 GLN C C 48 175.629 175.629 174.675 0.954 25694 5710 1 15 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.317 0.463 25694 5711 1 15 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.043 1.147 25694 5712 1 15 . 1 1 48 48 GLN H H 48 8.737 8.737 8.494 0.243 25694 5713 1 15 . 1 1 49 49 VAL N N 49 119.819 119.819 125.720 -5.901 25694 5714 1 15 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.474 0.299 25694 5715 1 15 . 1 1 49 49 VAL C C 49 174.235 174.235 173.387 0.848 25694 5716 1 15 . 1 1 49 49 VAL CA C 49 59.266 59.266 59.879 -0.613 25694 5717 1 15 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.111 -0.112 25694 5718 1 15 . 1 1 49 49 VAL H H 49 9.150 9.150 9.253 -0.103 25694 5719 1 15 . 1 1 50 50 CYS N N 50 120.721 120.721 125.797 -5.076 25694 5720 1 15 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.420 0.233 25694 5721 1 15 . 1 1 50 50 CYS C C 50 174.078 174.078 175.535 -1.457 25694 5722 1 15 . 1 1 50 50 CYS CA C 50 56.428 56.428 58.622 -2.194 25694 5723 1 15 . 1 1 50 50 CYS CB C 50 45.270 45.270 28.193 17.077 25694 5724 1 15 . 1 1 50 50 CYS H H 50 8.854 8.854 8.872 -0.018 25694 5725 1 15 . 1 1 51 51 ILE N N 51 124.038 124.038 123.119 0.919 25694 5726 1 15 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.771 -0.261 25694 5727 1 15 . 1 1 51 51 ILE C C 51 174.775 174.775 174.842 -0.067 25694 5728 1 15 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.231 -0.931 25694 5729 1 15 . 1 1 51 51 ILE CB C 51 39.603 39.603 41.035 -1.431 25694 5730 1 15 . 1 1 51 51 ILE H H 51 8.934 8.934 8.798 0.136 25694 5731 1 15 . 1 1 52 52 ASP N N 52 127.393 127.393 124.308 3.085 25694 5732 1 15 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.320 -0.575 25694 5733 1 15 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.504 0.386 25694 5734 1 15 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.256 0.906 25694 5735 1 15 . 1 1 52 52 ASP H H 52 8.098 8.098 8.101 -0.003 25694 5736 1 15 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.245 -0.160 25694 5737 1 15 . 1 1 53 53 PRO C C 53 176.500 176.500 176.553 -0.053 25694 5738 1 15 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.444 1.066 25694 5739 1 15 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.417 0.855 25694 5740 1 15 . 1 1 54 54 LYS N N 54 116.899 116.899 117.146 -0.247 25694 5741 1 15 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.391 -0.186 25694 5742 1 15 . 1 1 54 54 LYS C C 54 176.791 176.791 177.152 -0.361 25694 5743 1 15 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.527 0.173 25694 5744 1 15 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.036 -1.236 25694 5745 1 15 . 1 1 54 54 LYS H H 54 8.129 8.129 7.586 0.543 25694 5746 1 15 . 1 1 55 55 CYS N N 55 119.988 119.988 117.927 2.061 25694 5747 1 15 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.360 0.037 25694 5748 1 15 . 1 1 55 55 CYS CA C 55 57.075 57.075 57.515 -0.440 25694 5749 1 15 . 1 1 55 55 CYS CB C 55 41.544 41.544 27.932 13.612 25694 5750 1 15 . 1 1 55 55 CYS H H 55 7.989 7.989 7.551 0.438 25694 5751 1 15 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.210 -0.083 25694 5752 1 15 . 1 1 56 56 LYS C C 56 178.326 178.326 178.653 -0.327 25694 5753 1 15 . 1 1 56 56 LYS CA C 56 60.600 60.600 58.576 2.024 25694 5754 1 15 . 1 1 56 56 LYS CB C 56 32.800 32.800 33.098 -0.298 25694 5755 1 15 . 1 1 57 57 TRP N N 57 114.860 114.860 118.872 -4.012 25694 5756 1 15 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.638 0.267 25694 5757 1 15 . 1 1 57 57 TRP C C 57 177.803 177.803 177.670 0.133 25694 5758 1 15 . 1 1 57 57 TRP CA C 57 56.240 56.240 58.931 -2.691 25694 5759 1 15 . 1 1 57 57 TRP CB C 57 28.925 28.925 27.520 1.405 25694 5760 1 15 . 1 1 57 57 TRP H H 57 7.274 7.274 8.226 -0.952 25694 5761 1 15 . 1 1 58 58 CYS N N 58 121.960 121.960 116.593 5.367 25694 5762 1 15 . 1 1 58 58 CYS HA H 58 3.917 3.917 4.158 -0.241 25694 5763 1 15 . 1 1 58 58 CYS C C 58 175.480 175.480 177.098 -1.618 25694 5764 1 15 . 1 1 58 58 CYS CA C 58 64.835 64.835 59.917 4.918 25694 5765 1 15 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.967 10.400 25694 5766 1 15 . 1 1 58 58 CYS H H 58 7.780 7.780 7.414 0.366 25694 5767 1 15 . 1 1 59 59 GLN N N 59 119.203 119.203 119.911 -0.708 25694 5768 1 15 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.929 0.018 25694 5769 1 15 . 1 1 59 59 GLN C C 59 178.152 178.152 178.589 -0.437 25694 5770 1 15 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.615 1.048 25694 5771 1 15 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.611 0.360 25694 5772 1 15 . 1 1 59 59 GLN H H 59 8.073 8.073 7.987 0.086 25694 5773 1 15 . 1 1 60 60 GLU N N 60 118.831 118.831 119.364 -0.533 25694 5774 1 15 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.124 -0.003 25694 5775 1 15 . 1 1 60 60 GLU C C 60 178.367 178.367 178.879 -0.512 25694 5776 1 15 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.938 0.402 25694 5777 1 15 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.772 0.124 25694 5778 1 15 . 1 1 60 60 GLU H H 60 8.085 8.085 7.909 0.176 25694 5779 1 15 . 1 1 61 61 TYR N N 61 118.802 118.802 120.327 -1.525 25694 5780 1 15 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.299 0.031 25694 5781 1 15 . 1 1 61 61 TYR C C 61 177.629 177.629 177.183 0.446 25694 5782 1 15 . 1 1 61 61 TYR CA C 61 61.281 61.281 60.660 0.620 25694 5783 1 15 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.279 0.678 25694 5784 1 15 . 1 1 61 61 TYR H H 61 7.666 7.666 7.682 -0.016 25694 5785 1 15 . 1 1 62 62 LEU N N 62 119.351 119.351 120.247 -0.896 25694 5786 1 15 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.266 0.601 25694 5787 1 15 . 1 1 62 62 LEU C C 62 178.724 178.724 179.111 -0.387 25694 5788 1 15 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.637 -0.018 25694 5789 1 15 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.271 0.919 25694 5790 1 15 . 1 1 62 62 LEU H H 62 8.275 8.275 8.346 -0.071 25694 5791 1 15 . 1 1 63 63 GLU N N 63 118.049 118.049 118.054 -0.005 25694 5792 1 15 . 1 1 63 63 GLU HA H 63 3.997 3.997 3.945 0.052 25694 5793 1 15 . 1 1 63 63 GLU C C 63 178.649 178.649 178.798 -0.149 25694 5794 1 15 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.956 0.187 25694 5795 1 15 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.047 0.848 25694 5796 1 15 . 1 1 63 63 GLU H H 63 8.066 8.066 7.720 0.346 25694 5797 1 15 . 1 1 64 64 LYS N N 64 117.297 117.297 118.156 -0.859 25694 5798 1 15 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.219 0.009 25694 5799 1 15 . 1 1 64 64 LYS C C 64 178.085 178.085 178.971 -0.886 25694 5800 1 15 . 1 1 64 64 LYS CA C 64 57.820 57.820 58.185 -0.365 25694 5801 1 15 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.407 0.401 25694 5802 1 15 . 1 1 64 64 LYS H H 64 7.572 7.572 7.446 0.126 25694 5803 1 15 . 1 1 65 65 ALA N N 65 121.570 121.570 122.992 -1.422 25694 5804 1 15 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.437 -0.263 25694 5805 1 15 . 1 1 65 65 ALA C C 65 178.707 178.707 180.082 -1.375 25694 5806 1 15 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.346 -0.546 25694 5807 1 15 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.138 1.396 25694 5808 1 15 . 1 1 65 65 ALA H H 65 7.964 7.964 7.850 0.114 25694 5809 1 15 . 1 1 66 66 LEU N N 66 117.399 117.399 118.535 -1.136 25694 5810 1 15 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.957 0.368 25694 5811 1 15 . 1 1 66 66 LEU C C 66 177.264 177.264 177.856 -0.592 25694 5812 1 15 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.920 -1.463 25694 5813 1 15 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.583 0.917 25694 5814 1 15 . 1 1 66 66 LEU H H 66 7.888 7.888 7.875 0.013 25694 5815 1 15 . 1 1 67 67 ASN N N 67 118.846 118.846 115.236 3.610 25694 5816 1 15 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.861 -0.091 25694 5817 1 15 . 1 1 67 67 ASN C C 67 174.094 174.094 174.305 -0.211 25694 5818 1 15 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.511 0.923 25694 5819 1 15 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.235 0.044 25694 5820 1 15 . 1 1 67 67 ASN H H 67 7.959 7.959 7.718 0.241 25694 5821 1 16 . 1 1 0 0 MET HA H 0 4.501 4.501 4.622 -0.121 25694 5822 1 16 . 1 1 0 0 MET C C 0 176.102 176.102 175.478 0.624 25694 5823 1 16 . 1 1 0 0 MET CA C 0 55.781 55.781 55.618 0.162 25694 5824 1 16 . 1 1 0 0 MET CB C 0 33.455 33.455 32.209 1.246 25694 5825 1 16 . 1 1 1 1 LYS N N 1 124.708 124.708 119.186 5.522 25694 5826 1 16 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.224 0.414 25694 5827 1 16 . 1 1 1 1 LYS CA C 1 54.486 54.486 56.193 -1.706 25694 5828 1 16 . 1 1 1 1 LYS CB C 1 32.808 32.808 31.327 1.481 25694 5829 1 16 . 1 1 1 1 LYS H H 1 8.503 8.503 7.869 0.634 25694 5830 1 16 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.424 0.060 25694 5831 1 16 . 1 1 2 2 PRO C C 2 177.031 177.031 175.832 1.199 25694 5832 1 16 . 1 1 2 2 PRO CA C 2 63.200 63.200 63.017 0.183 25694 5833 1 16 . 1 1 2 2 PRO CB C 2 32.161 32.161 30.330 1.831 25694 5834 1 16 . 1 1 3 3 VAL N N 3 120.641 120.641 119.991 0.650 25694 5835 1 16 . 1 1 3 3 VAL HA H 3 4.119 4.119 4.390 -0.271 25694 5836 1 16 . 1 1 3 3 VAL C C 3 176.393 176.393 175.122 1.271 25694 5837 1 16 . 1 1 3 3 VAL CA C 3 62.495 62.495 61.372 1.123 25694 5838 1 16 . 1 1 3 3 VAL CB C 3 33.100 33.100 32.894 0.206 25694 5839 1 16 . 1 1 3 3 VAL H H 3 8.290 8.290 7.845 0.445 25694 5840 1 16 . 1 1 4 4 SER N N 4 119.097 119.097 121.243 -2.146 25694 5841 1 16 . 1 1 4 4 SER HA H 4 4.470 4.470 4.803 -0.333 25694 5842 1 16 . 1 1 4 4 SER C C 4 174.617 174.617 174.460 0.157 25694 5843 1 16 . 1 1 4 4 SER CA C 4 58.369 58.369 58.051 0.318 25694 5844 1 16 . 1 1 4 4 SER CB C 4 64.187 64.187 64.261 -0.075 25694 5845 1 16 . 1 1 4 4 SER H H 4 8.349 8.349 8.448 -0.099 25694 5846 1 16 . 1 1 5 5 LEU N N 5 124.723 124.723 121.151 3.572 25694 5847 1 16 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.620 -0.240 25694 5848 1 16 . 1 1 5 5 LEU C C 5 177.355 177.355 177.379 -0.024 25694 5849 1 16 . 1 1 5 5 LEU CA C 5 55.388 55.388 55.217 0.171 25694 5850 1 16 . 1 1 5 5 LEU CB C 5 42.515 42.515 42.331 0.184 25694 5851 1 16 . 1 1 5 5 LEU H H 5 8.339 8.339 8.445 -0.106 25694 5852 1 16 . 1 1 6 6 SER N N 6 115.926 115.926 116.101 -0.175 25694 5853 1 16 . 1 1 6 6 SER HA H 6 4.414 4.414 4.353 0.061 25694 5854 1 16 . 1 1 6 6 SER C C 6 174.235 174.235 174.325 -0.090 25694 5855 1 16 . 1 1 6 6 SER CA C 6 58.369 58.369 59.940 -1.571 25694 5856 1 16 . 1 1 6 6 SER CB C 6 64.187 64.187 63.499 0.688 25694 5857 1 16 . 1 1 6 6 SER H H 6 8.199 8.199 7.925 0.274 25694 5858 1 16 . 1 1 7 7 TYR N N 7 122.124 122.124 118.413 3.711 25694 5859 1 16 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.343 0.233 25694 5860 1 16 . 1 1 7 7 TYR C C 7 175.530 175.530 175.000 0.530 25694 5861 1 16 . 1 1 7 7 TYR CA C 7 58.008 58.008 58.351 -0.343 25694 5862 1 16 . 1 1 7 7 TYR CB C 7 38.969 38.969 37.796 1.173 25694 5863 1 16 . 1 1 7 7 TYR H H 7 8.049 8.049 7.787 0.262 25694 5864 1 16 . 1 1 8 8 ARG N N 8 121.947 121.947 121.322 0.625 25694 5865 1 16 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.607 -0.281 25694 5866 1 16 . 1 1 8 8 ARG C C 8 175.845 175.845 175.283 0.562 25694 5867 1 16 . 1 1 8 8 ARG CA C 8 56.104 56.104 56.054 0.050 25694 5868 1 16 . 1 1 8 8 ARG CB C 8 31.100 31.100 31.953 -0.853 25694 5869 1 16 . 1 1 8 8 ARG H H 8 8.177 8.177 8.147 0.030 25694 5870 1 16 . 1 1 9 9 CYS N N 9 120.943 120.943 120.613 0.330 25694 5871 1 16 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.889 0.065 25694 5872 1 16 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.594 -3.467 25694 5873 1 16 . 1 1 9 9 CYS CB C 9 40.218 40.218 27.146 13.072 25694 5874 1 16 . 1 1 9 9 CYS H H 9 8.173 8.173 8.231 -0.058 25694 5875 1 16 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.540 -0.188 25694 5876 1 16 . 1 1 10 10 PRO C C 10 177.347 177.347 176.291 1.056 25694 5877 1 16 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.683 1.176 25694 5878 1 16 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.442 0.066 25694 5879 1 16 . 1 1 11 11 CYS N N 11 114.096 114.096 119.213 -5.117 25694 5880 1 16 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.593 0.132 25694 5881 1 16 . 1 1 11 11 CYS CA C 11 53.429 53.429 58.701 -5.272 25694 5882 1 16 . 1 1 11 11 CYS CB C 11 39.279 39.279 27.794 11.485 25694 5883 1 16 . 1 1 11 11 CYS H H 11 8.232 8.232 8.094 0.138 25694 5884 1 16 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.246 -0.177 25694 5885 1 16 . 1 1 12 12 ARG C C 12 175.106 175.106 174.885 0.221 25694 5886 1 16 . 1 1 12 12 ARG CA C 12 57.000 57.000 57.002 -0.002 25694 5887 1 16 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.859 0.641 25694 5888 1 16 . 1 1 13 13 PHE N N 13 116.259 116.259 117.902 -1.643 25694 5889 1 16 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.546 0.084 25694 5890 1 16 . 1 1 13 13 PHE C C 13 174.227 174.227 174.608 -0.381 25694 5891 1 16 . 1 1 13 13 PHE CA C 13 55.971 55.971 57.027 -1.056 25694 5892 1 16 . 1 1 13 13 PHE CB C 13 41.059 41.059 40.703 0.356 25694 5893 1 16 . 1 1 13 13 PHE H H 13 7.572 7.572 7.917 -0.345 25694 5894 1 16 . 1 1 14 14 PHE N N 14 119.623 119.623 118.309 1.314 25694 5895 1 16 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.719 0.217 25694 5896 1 16 . 1 1 14 14 PHE C C 14 175.496 175.496 174.324 1.172 25694 5897 1 16 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.686 -0.539 25694 5898 1 16 . 1 1 14 14 PHE CB C 14 41.544 41.544 41.934 -0.390 25694 5899 1 16 . 1 1 14 14 PHE H H 14 8.450 8.450 8.143 0.307 25694 5900 1 16 . 1 1 15 15 GLU N N 15 122.147 122.147 122.243 -0.096 25694 5901 1 16 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.637 -0.002 25694 5902 1 16 . 1 1 15 15 GLU C C 15 176.990 176.990 177.384 -0.394 25694 5903 1 16 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.248 1.532 25694 5904 1 16 . 1 1 15 15 GLU CB C 15 31.109 31.109 31.230 -0.121 25694 5905 1 16 . 1 1 15 15 GLU H H 15 8.956 8.956 8.977 -0.021 25694 5906 1 16 . 1 1 16 16 SER N N 16 119.943 119.943 122.008 -2.065 25694 5907 1 16 . 1 1 16 16 SER HA H 16 4.598 4.598 4.172 0.426 25694 5908 1 16 . 1 1 16 16 SER C C 16 174.385 174.385 173.591 0.794 25694 5909 1 16 . 1 1 16 16 SER CA C 16 59.799 59.799 60.478 -0.679 25694 5910 1 16 . 1 1 16 16 SER CB C 16 64.517 64.517 63.140 1.377 25694 5911 1 16 . 1 1 16 16 SER H H 16 8.943 8.943 8.771 0.172 25694 5912 1 16 . 1 1 17 17 HIS N N 17 119.124 119.124 116.065 3.059 25694 5913 1 16 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.832 -0.132 25694 5914 1 16 . 1 1 17 17 HIS C C 17 174.567 174.567 173.267 1.300 25694 5915 1 16 . 1 1 17 17 HIS CA C 17 56.751 56.751 54.630 2.121 25694 5916 1 16 . 1 1 17 17 HIS CB C 17 29.896 29.896 28.771 1.125 25694 5917 1 16 . 1 1 17 17 HIS H H 17 8.649 8.649 7.794 0.855 25694 5918 1 16 . 1 1 18 18 VAL N N 18 121.960 121.960 123.141 -1.181 25694 5919 1 16 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.356 -0.199 25694 5920 1 16 . 1 1 18 18 VAL C C 18 175.140 175.140 174.545 0.595 25694 5921 1 16 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.236 0.692 25694 5922 1 16 . 1 1 18 18 VAL CB C 18 33.700 33.700 34.207 -0.507 25694 5923 1 16 . 1 1 18 18 VAL H H 18 7.876 7.876 8.515 -0.639 25694 5924 1 16 . 1 1 19 19 ALA N N 19 132.226 132.226 128.370 3.856 25694 5925 1 16 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.742 -0.227 25694 5926 1 16 . 1 1 19 19 ALA C C 19 178.060 178.060 177.059 1.001 25694 5927 1 16 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.178 1.322 25694 5928 1 16 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.583 -1.699 25694 5929 1 16 . 1 1 19 19 ALA H H 19 8.843 8.843 9.066 -0.223 25694 5930 1 16 . 1 1 20 20 ARG N N 20 125.791 125.791 123.917 1.874 25694 5931 1 16 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.186 -0.349 25694 5932 1 16 . 1 1 20 20 ARG C C 20 178.459 178.459 177.578 0.881 25694 5933 1 16 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.559 0.080 25694 5934 1 16 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.299 -0.374 25694 5935 1 16 . 1 1 20 20 ARG H H 20 8.196 8.196 8.017 0.179 25694 5936 1 16 . 1 1 21 21 ALA N N 21 117.396 117.396 120.131 -2.735 25694 5937 1 16 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.041 0.041 25694 5938 1 16 . 1 1 21 21 ALA C C 21 177.745 177.745 177.826 -0.081 25694 5939 1 16 . 1 1 21 21 ALA CA C 21 53.809 53.809 54.333 -0.524 25694 5940 1 16 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.506 0.378 25694 5941 1 16 . 1 1 21 21 ALA H H 21 8.309 8.309 8.200 0.109 25694 5942 1 16 . 1 1 22 22 ASN N N 22 113.201 113.201 113.129 0.072 25694 5943 1 16 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.777 0.197 25694 5944 1 16 . 1 1 22 22 ASN C C 22 174.999 174.999 173.942 1.057 25694 5945 1 16 . 1 1 22 22 ASN CA C 22 52.590 52.590 53.008 -0.418 25694 5946 1 16 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.955 -0.055 25694 5947 1 16 . 1 1 22 22 ASN H H 22 7.796 7.796 8.156 -0.360 25694 5948 1 16 . 1 1 23 23 VAL N N 23 117.829 117.829 114.215 3.614 25694 5949 1 16 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.943 -0.455 25694 5950 1 16 . 1 1 23 23 VAL C C 23 174.393 174.393 175.374 -0.981 25694 5951 1 16 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.259 1.991 25694 5952 1 16 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.671 -0.971 25694 5953 1 16 . 1 1 23 23 VAL H H 23 7.477 7.477 7.158 0.319 25694 5954 1 16 . 1 1 24 24 LYS N N 24 123.962 123.962 124.145 -0.183 25694 5955 1 16 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.408 0.072 25694 5956 1 16 . 1 1 24 24 LYS C C 24 175.090 175.090 176.476 -1.386 25694 5957 1 16 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.878 -0.774 25694 5958 1 16 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.370 2.026 25694 5959 1 16 . 1 1 24 24 LYS H H 24 9.276 9.276 8.382 0.894 25694 5960 1 16 . 1 1 25 25 HIS N N 25 115.921 115.921 118.763 -2.842 25694 5961 1 16 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.858 -0.155 25694 5962 1 16 . 1 1 25 25 HIS C C 25 173.364 173.364 172.789 0.575 25694 5963 1 16 . 1 1 25 25 HIS CA C 25 55.781 55.781 56.177 -0.396 25694 5964 1 16 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.020 0.141 25694 5965 1 16 . 1 1 25 25 HIS H H 25 7.964 7.964 7.641 0.323 25694 5966 1 16 . 1 1 26 26 LEU N N 26 122.215 122.215 125.398 -3.183 25694 5967 1 16 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.149 -0.181 25694 5968 1 16 . 1 1 26 26 LEU C C 26 175.720 175.720 175.703 0.017 25694 5969 1 16 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.467 1.990 25694 5970 1 16 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.992 -0.398 25694 5971 1 16 . 1 1 26 26 LEU H H 26 8.076 8.076 8.497 -0.421 25694 5972 1 16 . 1 1 27 27 LYS N N 27 122.738 122.738 119.109 3.629 25694 5973 1 16 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.575 0.194 25694 5974 1 16 . 1 1 27 27 LYS C C 27 173.953 173.953 174.795 -0.842 25694 5975 1 16 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.791 0.339 25694 5976 1 16 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.680 0.620 25694 5977 1 16 . 1 1 27 27 LYS H H 27 9.113 9.113 8.891 0.222 25694 5978 1 16 . 1 1 28 28 ILE N N 28 122.212 122.212 122.919 -0.707 25694 5979 1 16 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.468 0.308 25694 5980 1 16 . 1 1 28 28 ILE C C 28 175.895 175.895 175.612 0.283 25694 5981 1 16 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.752 0.448 25694 5982 1 16 . 1 1 28 28 ILE CB C 28 39.200 39.200 37.489 1.711 25694 5983 1 16 . 1 1 28 28 ILE H H 28 8.535 8.535 8.581 -0.046 25694 5984 1 16 . 1 1 29 29 LEU N N 29 128.977 128.977 132.018 -3.041 25694 5985 1 16 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.547 0.168 25694 5986 1 16 . 1 1 29 29 LEU C C 29 175.438 175.438 174.579 0.859 25694 5987 1 16 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.512 0.588 25694 5988 1 16 . 1 1 29 29 LEU CB C 29 44.132 44.132 42.659 1.473 25694 5989 1 16 . 1 1 29 29 LEU H H 29 9.137 9.137 8.774 0.363 25694 5990 1 16 . 1 1 30 30 ASN N N 30 124.331 124.331 123.885 0.446 25694 5991 1 16 . 1 1 30 30 ASN HA H 30 5.145 5.145 5.003 0.142 25694 5992 1 16 . 1 1 30 30 ASN C C 30 174.335 174.335 174.709 -0.374 25694 5993 1 16 . 1 1 30 30 ASN CA C 30 52.413 52.413 50.892 1.522 25694 5994 1 16 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.515 1.085 25694 5995 1 16 . 1 1 30 30 ASN H H 30 8.824 8.824 8.366 0.458 25694 5996 1 16 . 1 1 31 31 THR N N 31 118.685 118.685 114.545 4.140 25694 5997 1 16 . 1 1 31 31 THR HA H 31 4.796 4.796 4.846 -0.050 25694 5998 1 16 . 1 1 31 31 THR CA C 31 59.600 59.600 59.185 0.415 25694 5999 1 16 . 1 1 31 31 THR CB C 31 70.459 70.459 69.323 1.137 25694 6000 1 16 . 1 1 31 31 THR H H 31 8.456 8.456 8.164 0.292 25694 6001 1 16 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.375 -0.085 25694 6002 1 16 . 1 1 32 32 PRO C C 32 177.197 177.197 177.025 0.172 25694 6003 1 16 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.765 0.076 25694 6004 1 16 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.868 0.302 25694 6005 1 16 . 1 1 33 33 ASN N N 33 112.484 112.484 114.872 -2.388 25694 6006 1 16 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.732 -0.250 25694 6007 1 16 . 1 1 33 33 ASN C C 33 174.526 174.526 175.356 -0.830 25694 6008 1 16 . 1 1 33 33 ASN CA C 33 54.945 54.945 54.389 0.555 25694 6009 1 16 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.758 -0.126 25694 6010 1 16 . 1 1 33 33 ASN H H 33 8.470 8.470 8.544 -0.074 25694 6011 1 16 . 1 1 34 34 CYS N N 34 116.720 116.720 115.811 0.909 25694 6012 1 16 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.834 0.093 25694 6013 1 16 . 1 1 34 34 CYS C C 34 173.762 173.762 173.626 0.136 25694 6014 1 16 . 1 1 34 34 CYS CA C 34 54.810 54.810 58.283 -3.473 25694 6015 1 16 . 1 1 34 34 CYS CB C 34 44.100 44.100 30.012 14.088 25694 6016 1 16 . 1 1 34 34 CYS H H 34 7.663 7.663 7.610 0.053 25694 6017 1 16 . 1 1 35 35 ALA N N 35 125.254 125.254 122.109 3.145 25694 6018 1 16 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.663 -0.366 25694 6019 1 16 . 1 1 35 35 ALA C C 35 176.882 176.882 174.545 2.337 25694 6020 1 16 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.545 0.868 25694 6021 1 16 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.770 -1.802 25694 6022 1 16 . 1 1 35 35 ALA H H 35 8.449 8.449 7.852 0.597 25694 6023 1 16 . 1 1 36 36 LEU N N 36 122.078 122.078 119.931 2.147 25694 6024 1 16 . 1 1 36 36 LEU HA H 36 4.401 4.401 5.338 -0.937 25694 6025 1 16 . 1 1 36 36 LEU C C 36 176.442 176.442 175.949 0.493 25694 6026 1 16 . 1 1 36 36 LEU CA C 36 56.751 56.751 53.747 3.004 25694 6027 1 16 . 1 1 36 36 LEU CB C 36 42.465 42.465 43.914 -1.449 25694 6028 1 16 . 1 1 36 36 LEU H H 36 8.073 8.073 8.310 -0.237 25694 6029 1 16 . 1 1 37 37 GLN N N 37 121.790 121.790 125.034 -3.244 25694 6030 1 16 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.975 -0.227 25694 6031 1 16 . 1 1 37 37 GLN C C 37 173.804 173.804 175.164 -1.360 25694 6032 1 16 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.498 -0.098 25694 6033 1 16 . 1 1 37 37 GLN CB C 37 32.463 32.463 32.099 0.364 25694 6034 1 16 . 1 1 37 37 GLN H H 37 8.397 8.397 9.261 -0.864 25694 6035 1 16 . 1 1 38 38 ILE N N 38 123.702 123.702 124.524 -0.822 25694 6036 1 16 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.381 0.364 25694 6037 1 16 . 1 1 38 38 ILE C C 38 174.808 174.808 175.242 -0.434 25694 6038 1 16 . 1 1 38 38 ILE CA C 38 60.950 60.950 59.593 1.357 25694 6039 1 16 . 1 1 38 38 ILE CB C 38 39.600 39.600 37.018 2.582 25694 6040 1 16 . 1 1 38 38 ILE H H 38 9.213 9.213 8.942 0.271 25694 6041 1 16 . 1 1 39 39 VAL N N 39 125.930 125.930 129.913 -3.983 25694 6042 1 16 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.306 0.710 25694 6043 1 16 . 1 1 39 39 VAL C C 39 174.741 174.741 173.898 0.843 25694 6044 1 16 . 1 1 39 39 VAL CA C 39 60.950 60.950 61.463 -0.513 25694 6045 1 16 . 1 1 39 39 VAL CB C 39 34.426 34.426 32.527 1.899 25694 6046 1 16 . 1 1 39 39 VAL H H 39 9.056 9.056 8.610 0.446 25694 6047 1 16 . 1 1 40 40 ALA N N 40 127.551 127.551 130.700 -3.149 25694 6048 1 16 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.316 0.016 25694 6049 1 16 . 1 1 40 40 ALA C C 40 175.948 175.948 175.683 0.265 25694 6050 1 16 . 1 1 40 40 ALA CA C 40 50.280 50.280 49.775 0.505 25694 6051 1 16 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.326 0.737 25694 6052 1 16 . 1 1 40 40 ALA H H 40 9.335 9.335 9.339 -0.004 25694 6053 1 16 . 1 1 41 41 ARG N N 41 118.658 118.658 121.117 -2.459 25694 6054 1 16 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.004 0.215 25694 6055 1 16 . 1 1 41 41 ARG C C 41 176.310 176.310 175.134 1.176 25694 6056 1 16 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.530 0.570 25694 6057 1 16 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.460 0.968 25694 6058 1 16 . 1 1 41 41 ARG H H 41 8.511 8.511 9.045 -0.534 25694 6059 1 16 . 1 1 42 42 LEU N N 42 125.307 125.307 126.859 -1.552 25694 6060 1 16 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.800 0.126 25694 6061 1 16 . 1 1 42 42 LEU C C 42 178.475 178.475 176.581 1.894 25694 6062 1 16 . 1 1 42 42 LEU CA C 42 54.329 54.329 54.981 -0.652 25694 6063 1 16 . 1 1 42 42 LEU CB C 42 41.497 41.497 43.606 -2.109 25694 6064 1 16 . 1 1 42 42 LEU H H 42 9.038 9.038 8.947 0.091 25694 6065 1 16 . 1 1 43 43 LYS N N 43 120.597 120.597 125.760 -5.163 25694 6066 1 16 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.985 -0.152 25694 6067 1 16 . 1 1 43 43 LYS C C 43 178.342 178.342 178.218 0.124 25694 6068 1 16 . 1 1 43 43 LYS CA C 43 59.340 59.340 59.877 -0.537 25694 6069 1 16 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.515 0.930 25694 6070 1 16 . 1 1 43 43 LYS H H 43 8.480 8.480 8.798 -0.318 25694 6071 1 16 . 1 1 44 44 ASN N N 44 114.812 114.812 115.969 -1.157 25694 6072 1 16 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.562 -0.086 25694 6073 1 16 . 1 1 44 44 ASN C C 44 176.032 176.032 176.274 -0.242 25694 6074 1 16 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.090 0.690 25694 6075 1 16 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.617 -0.110 25694 6076 1 16 . 1 1 44 44 ASN H H 44 8.725 8.725 8.351 0.374 25694 6077 1 16 . 1 1 45 45 ASN N N 45 115.093 115.093 118.185 -3.092 25694 6078 1 16 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.607 0.131 25694 6079 1 16 . 1 1 45 45 ASN C C 45 175.513 175.513 175.672 -0.159 25694 6080 1 16 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.908 -0.139 25694 6081 1 16 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.959 0.252 25694 6082 1 16 . 1 1 45 45 ASN H H 45 7.519 7.519 8.029 -0.510 25694 6083 1 16 . 1 1 46 46 ASN N N 46 116.121 116.121 117.692 -1.571 25694 6084 1 16 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.482 0.187 25694 6085 1 16 . 1 1 46 46 ASN C C 46 174.816 174.816 173.196 1.620 25694 6086 1 16 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.381 0.419 25694 6087 1 16 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.019 2.260 25694 6088 1 16 . 1 1 46 46 ASN H H 46 8.033 8.033 8.222 -0.189 25694 6089 1 16 . 1 1 47 47 ARG N N 47 119.917 119.917 117.623 2.294 25694 6090 1 16 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.649 -0.396 25694 6091 1 16 . 1 1 47 47 ARG C C 47 175.845 175.845 174.272 1.573 25694 6092 1 16 . 1 1 47 47 ARG CA C 47 57.084 57.084 54.411 2.673 25694 6093 1 16 . 1 1 47 47 ARG CB C 47 31.785 31.785 33.112 -1.327 25694 6094 1 16 . 1 1 47 47 ARG H H 47 7.981 7.981 7.526 0.455 25694 6095 1 16 . 1 1 48 48 GLN N N 48 123.497 123.497 124.164 -0.667 25694 6096 1 16 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.158 0.084 25694 6097 1 16 . 1 1 48 48 GLN C C 48 175.629 175.629 174.653 0.976 25694 6098 1 16 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.859 -0.079 25694 6099 1 16 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.413 0.777 25694 6100 1 16 . 1 1 48 48 GLN H H 48 8.737 8.737 8.549 0.188 25694 6101 1 16 . 1 1 49 49 VAL N N 49 119.819 119.819 125.142 -5.323 25694 6102 1 16 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.433 0.340 25694 6103 1 16 . 1 1 49 49 VAL C C 49 174.235 174.235 173.397 0.838 25694 6104 1 16 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.010 -0.744 25694 6105 1 16 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.307 -0.307 25694 6106 1 16 . 1 1 49 49 VAL H H 49 9.150 9.150 9.248 -0.098 25694 6107 1 16 . 1 1 50 50 CYS N N 50 120.721 120.721 125.381 -4.660 25694 6108 1 16 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.507 0.146 25694 6109 1 16 . 1 1 50 50 CYS C C 50 174.078 174.078 175.507 -1.429 25694 6110 1 16 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.859 -1.431 25694 6111 1 16 . 1 1 50 50 CYS CB C 50 45.270 45.270 28.570 16.700 25694 6112 1 16 . 1 1 50 50 CYS H H 50 8.854 8.854 8.805 0.049 25694 6113 1 16 . 1 1 51 51 ILE N N 51 124.038 124.038 122.927 1.111 25694 6114 1 16 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.351 0.159 25694 6115 1 16 . 1 1 51 51 ILE C C 51 174.775 174.775 174.777 -0.002 25694 6116 1 16 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.816 -1.516 25694 6117 1 16 . 1 1 51 51 ILE CB C 51 39.603 39.603 39.811 -0.208 25694 6118 1 16 . 1 1 51 51 ILE H H 51 8.934 8.934 8.882 0.052 25694 6119 1 16 . 1 1 52 52 ASP N N 52 127.393 127.393 125.714 1.679 25694 6120 1 16 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.298 -0.553 25694 6121 1 16 . 1 1 52 52 ASP CA C 52 51.890 51.890 50.988 0.902 25694 6122 1 16 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.303 0.859 25694 6123 1 16 . 1 1 52 52 ASP H H 52 8.098 8.098 8.093 0.005 25694 6124 1 16 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.193 -0.108 25694 6125 1 16 . 1 1 53 53 PRO C C 53 176.500 176.500 176.076 0.424 25694 6126 1 16 . 1 1 53 53 PRO CA C 53 64.510 64.510 62.900 1.610 25694 6127 1 16 . 1 1 53 53 PRO CB C 53 32.272 32.272 30.824 1.448 25694 6128 1 16 . 1 1 54 54 LYS N N 54 116.899 116.899 117.343 -0.444 25694 6129 1 16 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.315 -0.110 25694 6130 1 16 . 1 1 54 54 LYS C C 54 176.791 176.791 177.264 -0.473 25694 6131 1 16 . 1 1 54 54 LYS CA C 54 55.700 55.700 56.055 -0.355 25694 6132 1 16 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.968 -2.168 25694 6133 1 16 . 1 1 54 54 LYS H H 54 8.129 8.129 7.753 0.376 25694 6134 1 16 . 1 1 55 55 CYS N N 55 119.988 119.988 118.994 0.994 25694 6135 1 16 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.313 0.084 25694 6136 1 16 . 1 1 55 55 CYS CA C 55 57.075 57.075 58.229 -1.154 25694 6137 1 16 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.492 13.052 25694 6138 1 16 . 1 1 55 55 CYS H H 55 7.989 7.989 7.456 0.533 25694 6139 1 16 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.110 0.017 25694 6140 1 16 . 1 1 56 56 LYS C C 56 178.326 178.326 178.278 0.048 25694 6141 1 16 . 1 1 56 56 LYS CA C 56 60.600 60.600 59.341 1.259 25694 6142 1 16 . 1 1 56 56 LYS CB C 56 32.800 32.800 33.050 -0.250 25694 6143 1 16 . 1 1 57 57 TRP N N 57 114.860 114.860 117.243 -2.383 25694 6144 1 16 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.579 0.326 25694 6145 1 16 . 1 1 57 57 TRP C C 57 177.803 177.803 177.556 0.247 25694 6146 1 16 . 1 1 57 57 TRP CA C 57 56.240 56.240 58.498 -2.258 25694 6147 1 16 . 1 1 57 57 TRP CB C 57 28.925 28.925 28.027 0.898 25694 6148 1 16 . 1 1 57 57 TRP H H 57 7.274 7.274 8.116 -0.842 25694 6149 1 16 . 1 1 58 58 CYS N N 58 121.960 121.960 116.022 5.938 25694 6150 1 16 . 1 1 58 58 CYS HA H 58 3.917 3.917 3.530 0.387 25694 6151 1 16 . 1 1 58 58 CYS C C 58 175.480 175.480 176.984 -1.504 25694 6152 1 16 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.062 4.773 25694 6153 1 16 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.840 10.527 25694 6154 1 16 . 1 1 58 58 CYS H H 58 7.780 7.780 7.294 0.486 25694 6155 1 16 . 1 1 59 59 GLN N N 59 119.203 119.203 119.127 0.076 25694 6156 1 16 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.977 -0.030 25694 6157 1 16 . 1 1 59 59 GLN C C 59 178.152 178.152 178.670 -0.518 25694 6158 1 16 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.371 1.292 25694 6159 1 16 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.591 0.381 25694 6160 1 16 . 1 1 59 59 GLN H H 59 8.073 8.073 7.802 0.271 25694 6161 1 16 . 1 1 60 60 GLU N N 60 118.831 118.831 119.727 -0.896 25694 6162 1 16 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.116 0.005 25694 6163 1 16 . 1 1 60 60 GLU C C 60 178.367 178.367 178.783 -0.416 25694 6164 1 16 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.863 0.477 25694 6165 1 16 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.205 0.691 25694 6166 1 16 . 1 1 60 60 GLU H H 60 8.085 8.085 7.870 0.215 25694 6167 1 16 . 1 1 61 61 TYR N N 61 118.802 118.802 121.430 -2.628 25694 6168 1 16 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.157 0.173 25694 6169 1 16 . 1 1 61 61 TYR C C 61 177.629 177.629 177.454 0.175 25694 6170 1 16 . 1 1 61 61 TYR CA C 61 61.281 61.281 61.232 0.049 25694 6171 1 16 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.156 0.800 25694 6172 1 16 . 1 1 61 61 TYR H H 61 7.666 7.666 7.529 0.137 25694 6173 1 16 . 1 1 62 62 LEU N N 62 119.351 119.351 119.355 -0.004 25694 6174 1 16 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.715 0.152 25694 6175 1 16 . 1 1 62 62 LEU C C 62 178.724 178.724 179.364 -0.640 25694 6176 1 16 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.958 -0.339 25694 6177 1 16 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.577 0.613 25694 6178 1 16 . 1 1 62 62 LEU H H 62 8.275 8.275 8.458 -0.183 25694 6179 1 16 . 1 1 63 63 GLU N N 63 118.049 118.049 117.899 0.150 25694 6180 1 16 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.049 -0.052 25694 6181 1 16 . 1 1 63 63 GLU C C 63 178.649 178.649 179.075 -0.426 25694 6182 1 16 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.938 0.205 25694 6183 1 16 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.174 0.722 25694 6184 1 16 . 1 1 63 63 GLU H H 63 8.066 8.066 7.681 0.385 25694 6185 1 16 . 1 1 64 64 LYS N N 64 117.297 117.297 118.507 -1.210 25694 6186 1 16 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.222 0.006 25694 6187 1 16 . 1 1 64 64 LYS C C 64 178.085 178.085 178.761 -0.676 25694 6188 1 16 . 1 1 64 64 LYS CA C 64 57.820 57.820 58.187 -0.367 25694 6189 1 16 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.377 0.431 25694 6190 1 16 . 1 1 64 64 LYS H H 64 7.572 7.572 7.478 0.094 25694 6191 1 16 . 1 1 65 65 ALA N N 65 121.570 121.570 122.998 -1.428 25694 6192 1 16 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.080 0.094 25694 6193 1 16 . 1 1 65 65 ALA C C 65 178.707 178.707 179.841 -1.134 25694 6194 1 16 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.456 -0.656 25694 6195 1 16 . 1 1 65 65 ALA CB C 65 19.534 19.534 17.791 1.743 25694 6196 1 16 . 1 1 65 65 ALA H H 65 7.964 7.964 8.082 -0.118 25694 6197 1 16 . 1 1 66 66 LEU N N 66 117.399 117.399 117.968 -0.569 25694 6198 1 16 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.965 0.360 25694 6199 1 16 . 1 1 66 66 LEU C C 66 177.264 177.264 177.925 -0.661 25694 6200 1 16 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.861 -1.404 25694 6201 1 16 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.852 0.648 25694 6202 1 16 . 1 1 66 66 LEU H H 66 7.888 7.888 7.818 0.070 25694 6203 1 16 . 1 1 67 67 ASN N N 67 118.846 118.846 115.044 3.802 25694 6204 1 16 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.858 -0.088 25694 6205 1 16 . 1 1 67 67 ASN C C 67 174.094 174.094 173.763 0.331 25694 6206 1 16 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.521 0.913 25694 6207 1 16 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.327 -0.048 25694 6208 1 16 . 1 1 67 67 ASN H H 67 7.959 7.959 7.732 0.227 25694 6209 1 17 . 1 1 0 0 MET HA H 0 4.501 4.501 4.752 -0.251 25694 6210 1 17 . 1 1 0 0 MET C C 0 176.102 176.102 175.730 0.372 25694 6211 1 17 . 1 1 0 0 MET CA C 0 55.781 55.781 55.175 0.606 25694 6212 1 17 . 1 1 0 0 MET CB C 0 33.455 33.455 33.328 0.127 25694 6213 1 17 . 1 1 1 1 LYS N N 1 124.708 124.708 124.151 0.557 25694 6214 1 17 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.744 -0.106 25694 6215 1 17 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.274 0.212 25694 6216 1 17 . 1 1 1 1 LYS CB C 1 32.808 32.808 33.824 -1.016 25694 6217 1 17 . 1 1 1 1 LYS H H 1 8.503 8.503 8.325 0.178 25694 6218 1 17 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.417 0.067 25694 6219 1 17 . 1 1 2 2 PRO C C 2 177.031 177.031 176.114 0.917 25694 6220 1 17 . 1 1 2 2 PRO CA C 2 63.200 63.200 63.333 -0.133 25694 6221 1 17 . 1 1 2 2 PRO CB C 2 32.161 32.161 31.314 0.847 25694 6222 1 17 . 1 1 3 3 VAL N N 3 120.641 120.641 118.415 2.226 25694 6223 1 17 . 1 1 3 3 VAL HA H 3 4.119 4.119 4.504 -0.385 25694 6224 1 17 . 1 1 3 3 VAL C C 3 176.393 176.393 175.587 0.806 25694 6225 1 17 . 1 1 3 3 VAL CA C 3 62.495 62.495 59.990 2.505 25694 6226 1 17 . 1 1 3 3 VAL CB C 3 33.100 33.100 34.598 -1.498 25694 6227 1 17 . 1 1 3 3 VAL H H 3 8.290 8.290 7.934 0.356 25694 6228 1 17 . 1 1 4 4 SER N N 4 119.097 119.097 116.453 2.644 25694 6229 1 17 . 1 1 4 4 SER HA H 4 4.470 4.470 4.251 0.219 25694 6230 1 17 . 1 1 4 4 SER C C 4 174.617 174.617 175.145 -0.528 25694 6231 1 17 . 1 1 4 4 SER CA C 4 58.369 58.369 57.956 0.413 25694 6232 1 17 . 1 1 4 4 SER CB C 4 64.187 64.187 63.601 0.586 25694 6233 1 17 . 1 1 4 4 SER H H 4 8.349 8.349 8.789 -0.440 25694 6234 1 17 . 1 1 5 5 LEU N N 5 124.723 124.723 121.553 3.170 25694 6235 1 17 . 1 1 5 5 LEU HA H 5 4.380 4.380 3.969 0.411 25694 6236 1 17 . 1 1 5 5 LEU C C 5 177.355 177.355 175.625 1.730 25694 6237 1 17 . 1 1 5 5 LEU CA C 5 55.388 55.388 55.909 -0.521 25694 6238 1 17 . 1 1 5 5 LEU CB C 5 42.515 42.515 41.242 1.273 25694 6239 1 17 . 1 1 5 5 LEU H H 5 8.339 8.339 8.475 -0.136 25694 6240 1 17 . 1 1 6 6 SER N N 6 115.926 115.926 114.711 1.215 25694 6241 1 17 . 1 1 6 6 SER HA H 6 4.414 4.414 4.922 -0.508 25694 6242 1 17 . 1 1 6 6 SER C C 6 174.235 174.235 173.523 0.712 25694 6243 1 17 . 1 1 6 6 SER CA C 6 58.369 58.369 57.893 0.476 25694 6244 1 17 . 1 1 6 6 SER CB C 6 64.187 64.187 62.758 1.429 25694 6245 1 17 . 1 1 6 6 SER H H 6 8.199 8.199 8.051 0.148 25694 6246 1 17 . 1 1 7 7 TYR N N 7 122.124 122.124 124.004 -1.880 25694 6247 1 17 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.789 -0.213 25694 6248 1 17 . 1 1 7 7 TYR C C 7 175.530 175.530 174.194 1.336 25694 6249 1 17 . 1 1 7 7 TYR CA C 7 58.008 58.008 57.409 0.599 25694 6250 1 17 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.257 0.712 25694 6251 1 17 . 1 1 7 7 TYR H H 7 8.049 8.049 8.261 -0.212 25694 6252 1 17 . 1 1 8 8 ARG N N 8 121.947 121.947 119.833 2.114 25694 6253 1 17 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.312 0.014 25694 6254 1 17 . 1 1 8 8 ARG C C 8 175.845 175.845 174.649 1.196 25694 6255 1 17 . 1 1 8 8 ARG CA C 8 56.104 56.104 55.626 0.478 25694 6256 1 17 . 1 1 8 8 ARG CB C 8 31.100 31.100 30.967 0.133 25694 6257 1 17 . 1 1 8 8 ARG H H 8 8.177 8.177 7.987 0.190 25694 6258 1 17 . 1 1 9 9 CYS N N 9 120.943 120.943 119.886 1.057 25694 6259 1 17 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.638 0.316 25694 6260 1 17 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.356 -3.229 25694 6261 1 17 . 1 1 9 9 CYS CB C 9 40.218 40.218 27.479 12.739 25694 6262 1 17 . 1 1 9 9 CYS H H 9 8.173 8.173 8.121 0.052 25694 6263 1 17 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.446 -0.094 25694 6264 1 17 . 1 1 10 10 PRO C C 10 177.347 177.347 176.226 1.121 25694 6265 1 17 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.897 0.962 25694 6266 1 17 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.481 0.027 25694 6267 1 17 . 1 1 11 11 CYS N N 11 114.096 114.096 118.032 -3.936 25694 6268 1 17 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.638 0.087 25694 6269 1 17 . 1 1 11 11 CYS CA C 11 53.429 53.429 58.430 -5.001 25694 6270 1 17 . 1 1 11 11 CYS CB C 11 39.279 39.279 28.738 10.541 25694 6271 1 17 . 1 1 11 11 CYS H H 11 8.232 8.232 8.687 -0.455 25694 6272 1 17 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.046 0.023 25694 6273 1 17 . 1 1 12 12 ARG C C 12 175.106 175.106 174.648 0.458 25694 6274 1 17 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.919 0.081 25694 6275 1 17 . 1 1 12 12 ARG CB C 12 31.500 31.500 31.423 0.077 25694 6276 1 17 . 1 1 13 13 PHE N N 13 116.259 116.259 115.357 0.902 25694 6277 1 17 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.465 0.165 25694 6278 1 17 . 1 1 13 13 PHE C C 13 174.227 174.227 174.354 -0.127 25694 6279 1 17 . 1 1 13 13 PHE CA C 13 55.971 55.971 55.600 0.371 25694 6280 1 17 . 1 1 13 13 PHE CB C 13 41.059 41.059 41.431 -0.372 25694 6281 1 17 . 1 1 13 13 PHE H H 13 7.572 7.572 7.531 0.041 25694 6282 1 17 . 1 1 14 14 PHE N N 14 119.623 119.623 119.677 -0.054 25694 6283 1 17 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.864 0.072 25694 6284 1 17 . 1 1 14 14 PHE C C 14 175.496 175.496 175.030 0.466 25694 6285 1 17 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.601 -0.454 25694 6286 1 17 . 1 1 14 14 PHE CB C 14 41.544 41.544 42.041 -0.497 25694 6287 1 17 . 1 1 14 14 PHE H H 14 8.450 8.450 8.340 0.110 25694 6288 1 17 . 1 1 15 15 GLU N N 15 122.147 122.147 122.618 -0.471 25694 6289 1 17 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.546 0.089 25694 6290 1 17 . 1 1 15 15 GLU C C 15 176.990 176.990 177.238 -0.248 25694 6291 1 17 . 1 1 15 15 GLU CA C 15 55.780 55.780 55.769 0.011 25694 6292 1 17 . 1 1 15 15 GLU CB C 15 31.109 31.109 32.048 -0.939 25694 6293 1 17 . 1 1 15 15 GLU H H 15 8.956 8.956 9.156 -0.200 25694 6294 1 17 . 1 1 16 16 SER N N 16 119.943 119.943 120.831 -0.888 25694 6295 1 17 . 1 1 16 16 SER HA H 16 4.598 4.598 4.235 0.363 25694 6296 1 17 . 1 1 16 16 SER C C 16 174.385 174.385 174.598 -0.213 25694 6297 1 17 . 1 1 16 16 SER CA C 16 59.799 59.799 60.567 -0.768 25694 6298 1 17 . 1 1 16 16 SER CB C 16 64.517 64.517 62.907 1.609 25694 6299 1 17 . 1 1 16 16 SER H H 16 8.943 8.943 8.596 0.347 25694 6300 1 17 . 1 1 17 17 HIS N N 17 119.124 119.124 121.463 -2.339 25694 6301 1 17 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.928 -0.228 25694 6302 1 17 . 1 1 17 17 HIS C C 17 174.567 174.567 174.304 0.263 25694 6303 1 17 . 1 1 17 17 HIS CA C 17 56.751 56.751 54.101 2.650 25694 6304 1 17 . 1 1 17 17 HIS CB C 17 29.896 29.896 28.304 1.592 25694 6305 1 17 . 1 1 17 17 HIS H H 17 8.649 8.649 7.427 1.222 25694 6306 1 17 . 1 1 18 18 VAL N N 18 121.960 121.960 124.807 -2.847 25694 6307 1 17 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.288 -0.131 25694 6308 1 17 . 1 1 18 18 VAL C C 18 175.140 175.140 174.478 0.662 25694 6309 1 17 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.743 0.185 25694 6310 1 17 . 1 1 18 18 VAL CB C 18 33.700 33.700 34.819 -1.119 25694 6311 1 17 . 1 1 18 18 VAL H H 18 7.876 7.876 7.887 -0.011 25694 6312 1 17 . 1 1 19 19 ALA N N 19 132.226 132.226 128.864 3.362 25694 6313 1 17 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.886 -0.371 25694 6314 1 17 . 1 1 19 19 ALA C C 19 178.060 178.060 177.420 0.640 25694 6315 1 17 . 1 1 19 19 ALA CA C 19 51.500 51.500 49.852 1.648 25694 6316 1 17 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.738 -1.854 25694 6317 1 17 . 1 1 19 19 ALA H H 19 8.843 8.843 9.240 -0.397 25694 6318 1 17 . 1 1 20 20 ARG N N 20 125.791 125.791 124.110 1.681 25694 6319 1 17 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.099 -0.262 25694 6320 1 17 . 1 1 20 20 ARG C C 20 178.459 178.459 177.317 1.142 25694 6321 1 17 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.482 0.157 25694 6322 1 17 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.437 -0.512 25694 6323 1 17 . 1 1 20 20 ARG H H 20 8.196 8.196 8.302 -0.106 25694 6324 1 17 . 1 1 21 21 ALA N N 21 117.396 117.396 119.974 -2.578 25694 6325 1 17 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.039 0.043 25694 6326 1 17 . 1 1 21 21 ALA C C 21 177.745 177.745 177.707 0.038 25694 6327 1 17 . 1 1 21 21 ALA CA C 21 53.809 53.809 54.241 -0.432 25694 6328 1 17 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.618 0.266 25694 6329 1 17 . 1 1 21 21 ALA H H 21 8.309 8.309 8.221 0.088 25694 6330 1 17 . 1 1 22 22 ASN N N 22 113.201 113.201 113.066 0.135 25694 6331 1 17 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.691 0.283 25694 6332 1 17 . 1 1 22 22 ASN C C 22 174.999 174.999 174.190 0.809 25694 6333 1 17 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.968 -0.378 25694 6334 1 17 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.517 0.383 25694 6335 1 17 . 1 1 22 22 ASN H H 22 7.796 7.796 7.843 -0.047 25694 6336 1 17 . 1 1 23 23 VAL N N 23 117.829 117.829 114.351 3.478 25694 6337 1 17 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.873 -0.385 25694 6338 1 17 . 1 1 23 23 VAL C C 23 174.393 174.393 174.973 -0.580 25694 6339 1 17 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.307 1.943 25694 6340 1 17 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.474 -0.774 25694 6341 1 17 . 1 1 23 23 VAL H H 23 7.477 7.477 7.123 0.354 25694 6342 1 17 . 1 1 24 24 LYS N N 24 123.962 123.962 123.237 0.725 25694 6343 1 17 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.392 0.088 25694 6344 1 17 . 1 1 24 24 LYS C C 24 175.090 175.090 176.561 -1.471 25694 6345 1 17 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.685 -0.581 25694 6346 1 17 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.561 1.835 25694 6347 1 17 . 1 1 24 24 LYS H H 24 9.276 9.276 8.818 0.458 25694 6348 1 17 . 1 1 25 25 HIS N N 25 115.921 115.921 118.881 -2.960 25694 6349 1 17 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.793 -0.090 25694 6350 1 17 . 1 1 25 25 HIS C C 25 173.364 173.364 172.440 0.924 25694 6351 1 17 . 1 1 25 25 HIS CA C 25 55.781 55.781 55.785 -0.004 25694 6352 1 17 . 1 1 25 25 HIS CB C 25 32.161 32.161 33.113 -0.952 25694 6353 1 17 . 1 1 25 25 HIS H H 25 7.964 7.964 7.693 0.271 25694 6354 1 17 . 1 1 26 26 LEU N N 26 122.215 122.215 125.353 -3.138 25694 6355 1 17 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.092 -0.124 25694 6356 1 17 . 1 1 26 26 LEU C C 26 175.720 175.720 174.741 0.979 25694 6357 1 17 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.307 2.150 25694 6358 1 17 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.947 -0.353 25694 6359 1 17 . 1 1 26 26 LEU H H 26 8.076 8.076 8.380 -0.304 25694 6360 1 17 . 1 1 27 27 LYS N N 27 122.738 122.738 123.339 -0.601 25694 6361 1 17 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.708 0.061 25694 6362 1 17 . 1 1 27 27 LYS C C 27 173.953 173.953 174.451 -0.498 25694 6363 1 17 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.181 0.950 25694 6364 1 17 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.939 0.361 25694 6365 1 17 . 1 1 27 27 LYS H H 27 9.113 9.113 8.988 0.125 25694 6366 1 17 . 1 1 28 28 ILE N N 28 122.212 122.212 124.200 -1.988 25694 6367 1 17 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.771 0.005 25694 6368 1 17 . 1 1 28 28 ILE C C 28 175.895 175.895 174.593 1.302 25694 6369 1 17 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.916 0.284 25694 6370 1 17 . 1 1 28 28 ILE CB C 28 39.200 39.200 39.125 0.075 25694 6371 1 17 . 1 1 28 28 ILE H H 28 8.535 8.535 8.625 -0.090 25694 6372 1 17 . 1 1 29 29 LEU N N 29 128.977 128.977 131.463 -2.486 25694 6373 1 17 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.659 0.056 25694 6374 1 17 . 1 1 29 29 LEU C C 29 175.438 175.438 175.209 0.229 25694 6375 1 17 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.544 0.556 25694 6376 1 17 . 1 1 29 29 LEU CB C 29 44.132 44.132 40.711 3.421 25694 6377 1 17 . 1 1 29 29 LEU H H 29 9.137 9.137 9.253 -0.116 25694 6378 1 17 . 1 1 30 30 ASN N N 30 124.331 124.331 124.012 0.319 25694 6379 1 17 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.912 0.233 25694 6380 1 17 . 1 1 30 30 ASN C C 30 174.335 174.335 174.788 -0.453 25694 6381 1 17 . 1 1 30 30 ASN CA C 30 52.413 52.413 52.772 -0.359 25694 6382 1 17 . 1 1 30 30 ASN CB C 30 39.600 39.600 39.168 0.432 25694 6383 1 17 . 1 1 30 30 ASN H H 30 8.824 8.824 8.655 0.169 25694 6384 1 17 . 1 1 31 31 THR N N 31 118.685 118.685 116.469 2.216 25694 6385 1 17 . 1 1 31 31 THR HA H 31 4.796 4.796 4.716 0.080 25694 6386 1 17 . 1 1 31 31 THR CA C 31 59.600 59.600 60.237 -0.637 25694 6387 1 17 . 1 1 31 31 THR CB C 31 70.459 70.459 68.655 1.804 25694 6388 1 17 . 1 1 31 31 THR H H 31 8.456 8.456 7.975 0.481 25694 6389 1 17 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.357 -0.067 25694 6390 1 17 . 1 1 32 32 PRO C C 32 177.197 177.197 177.138 0.059 25694 6391 1 17 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.798 0.043 25694 6392 1 17 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.754 0.416 25694 6393 1 17 . 1 1 33 33 ASN N N 33 112.484 112.484 114.431 -1.947 25694 6394 1 17 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.749 -0.267 25694 6395 1 17 . 1 1 33 33 ASN C C 33 174.526 174.526 174.948 -0.422 25694 6396 1 17 . 1 1 33 33 ASN CA C 33 54.945 54.945 53.766 1.179 25694 6397 1 17 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.592 0.040 25694 6398 1 17 . 1 1 33 33 ASN H H 33 8.470 8.470 8.489 -0.019 25694 6399 1 17 . 1 1 34 34 CYS N N 34 116.720 116.720 117.572 -0.852 25694 6400 1 17 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.600 0.327 25694 6401 1 17 . 1 1 34 34 CYS C C 34 173.762 173.762 173.286 0.476 25694 6402 1 17 . 1 1 34 34 CYS CA C 34 54.810 54.810 58.034 -3.224 25694 6403 1 17 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.431 14.669 25694 6404 1 17 . 1 1 34 34 CYS H H 34 7.663 7.663 7.447 0.216 25694 6405 1 17 . 1 1 35 35 ALA N N 35 125.254 125.254 119.607 5.647 25694 6406 1 17 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.482 -0.185 25694 6407 1 17 . 1 1 35 35 ALA C C 35 176.882 176.882 174.347 2.535 25694 6408 1 17 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.517 0.896 25694 6409 1 17 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.334 -1.366 25694 6410 1 17 . 1 1 35 35 ALA H H 35 8.449 8.449 8.588 -0.139 25694 6411 1 17 . 1 1 36 36 LEU N N 36 122.078 122.078 121.445 0.633 25694 6412 1 17 . 1 1 36 36 LEU HA H 36 4.401 4.401 5.069 -0.668 25694 6413 1 17 . 1 1 36 36 LEU C C 36 176.442 176.442 175.926 0.516 25694 6414 1 17 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.205 2.546 25694 6415 1 17 . 1 1 36 36 LEU CB C 36 42.465 42.465 42.253 0.212 25694 6416 1 17 . 1 1 36 36 LEU H H 36 8.073 8.073 8.350 -0.277 25694 6417 1 17 . 1 1 37 37 GLN N N 37 121.790 121.790 125.432 -3.642 25694 6418 1 17 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.747 0.001 25694 6419 1 17 . 1 1 37 37 GLN C C 37 173.804 173.804 174.469 -0.665 25694 6420 1 17 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.410 -0.009 25694 6421 1 17 . 1 1 37 37 GLN CB C 37 32.463 32.463 33.040 -0.577 25694 6422 1 17 . 1 1 37 37 GLN H H 37 8.397 8.397 9.309 -0.912 25694 6423 1 17 . 1 1 38 38 ILE N N 38 123.702 123.702 123.942 -0.240 25694 6424 1 17 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.559 0.186 25694 6425 1 17 . 1 1 38 38 ILE C C 38 174.808 174.808 175.027 -0.219 25694 6426 1 17 . 1 1 38 38 ILE CA C 38 60.950 60.950 58.895 2.055 25694 6427 1 17 . 1 1 38 38 ILE CB C 38 39.600 39.600 37.722 1.877 25694 6428 1 17 . 1 1 38 38 ILE H H 38 9.213 9.213 8.511 0.702 25694 6429 1 17 . 1 1 39 39 VAL N N 39 125.930 125.930 129.077 -3.147 25694 6430 1 17 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.643 0.373 25694 6431 1 17 . 1 1 39 39 VAL C C 39 174.741 174.741 173.961 0.780 25694 6432 1 17 . 1 1 39 39 VAL CA C 39 60.950 60.950 61.073 -0.123 25694 6433 1 17 . 1 1 39 39 VAL CB C 39 34.426 34.426 33.505 0.920 25694 6434 1 17 . 1 1 39 39 VAL H H 39 9.056 9.056 8.970 0.086 25694 6435 1 17 . 1 1 40 40 ALA N N 40 127.551 127.551 130.054 -2.503 25694 6436 1 17 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.223 0.109 25694 6437 1 17 . 1 1 40 40 ALA C C 40 175.948 175.948 175.270 0.678 25694 6438 1 17 . 1 1 40 40 ALA CA C 40 50.280 50.280 50.221 0.059 25694 6439 1 17 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.569 0.494 25694 6440 1 17 . 1 1 40 40 ALA H H 40 9.335 9.335 9.496 -0.161 25694 6441 1 17 . 1 1 41 41 ARG N N 41 118.658 118.658 121.384 -2.726 25694 6442 1 17 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.249 -0.030 25694 6443 1 17 . 1 1 41 41 ARG C C 41 176.310 176.310 175.487 0.823 25694 6444 1 17 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.402 0.698 25694 6445 1 17 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.608 0.820 25694 6446 1 17 . 1 1 41 41 ARG H H 41 8.511 8.511 9.066 -0.555 25694 6447 1 17 . 1 1 42 42 LEU N N 42 125.307 125.307 126.506 -1.199 25694 6448 1 17 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.730 0.196 25694 6449 1 17 . 1 1 42 42 LEU C C 42 178.475 178.475 177.377 1.098 25694 6450 1 17 . 1 1 42 42 LEU CA C 42 54.329 54.329 54.790 -0.461 25694 6451 1 17 . 1 1 42 42 LEU CB C 42 41.497 41.497 43.034 -1.537 25694 6452 1 17 . 1 1 42 42 LEU H H 42 9.038 9.038 9.021 0.017 25694 6453 1 17 . 1 1 43 43 LYS N N 43 120.597 120.597 125.105 -4.508 25694 6454 1 17 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.977 -0.144 25694 6455 1 17 . 1 1 43 43 LYS C C 43 178.342 178.342 178.373 -0.031 25694 6456 1 17 . 1 1 43 43 LYS CA C 43 59.340 59.340 59.882 -0.542 25694 6457 1 17 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.554 0.890 25694 6458 1 17 . 1 1 43 43 LYS H H 43 8.480 8.480 8.786 -0.306 25694 6459 1 17 . 1 1 44 44 ASN N N 44 114.812 114.812 116.206 -1.394 25694 6460 1 17 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.549 -0.073 25694 6461 1 17 . 1 1 44 44 ASN C C 44 176.032 176.032 176.630 -0.598 25694 6462 1 17 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.755 0.025 25694 6463 1 17 . 1 1 44 44 ASN CB C 44 37.507 37.507 38.119 -0.612 25694 6464 1 17 . 1 1 44 44 ASN H H 44 8.725 8.725 8.466 0.259 25694 6465 1 17 . 1 1 45 45 ASN N N 45 115.093 115.093 116.029 -0.936 25694 6466 1 17 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.688 0.050 25694 6467 1 17 . 1 1 45 45 ASN C C 45 175.513 175.513 174.803 0.710 25694 6468 1 17 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.400 0.369 25694 6469 1 17 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.717 0.494 25694 6470 1 17 . 1 1 45 45 ASN H H 45 7.519 7.519 8.194 -0.675 25694 6471 1 17 . 1 1 46 46 ASN N N 46 116.121 116.121 114.853 1.268 25694 6472 1 17 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.588 0.081 25694 6473 1 17 . 1 1 46 46 ASN C C 46 174.816 174.816 174.392 0.424 25694 6474 1 17 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.611 0.189 25694 6475 1 17 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.227 2.052 25694 6476 1 17 . 1 1 46 46 ASN H H 46 8.033 8.033 7.399 0.634 25694 6477 1 17 . 1 1 47 47 ARG N N 47 119.917 119.917 118.636 1.281 25694 6478 1 17 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.262 -0.009 25694 6479 1 17 . 1 1 47 47 ARG C C 47 175.845 175.845 175.089 0.756 25694 6480 1 17 . 1 1 47 47 ARG CA C 47 57.084 57.084 56.925 0.159 25694 6481 1 17 . 1 1 47 47 ARG CB C 47 31.785 31.785 31.237 0.548 25694 6482 1 17 . 1 1 47 47 ARG H H 47 7.981 7.981 8.024 -0.043 25694 6483 1 17 . 1 1 48 48 GLN N N 48 123.497 123.497 124.628 -1.131 25694 6484 1 17 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.004 0.238 25694 6485 1 17 . 1 1 48 48 GLN C C 48 175.629 175.629 174.901 0.728 25694 6486 1 17 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.771 0.009 25694 6487 1 17 . 1 1 48 48 GLN CB C 48 31.190 31.190 29.270 1.920 25694 6488 1 17 . 1 1 48 48 GLN H H 48 8.737 8.737 8.499 0.238 25694 6489 1 17 . 1 1 49 49 VAL N N 49 119.819 119.819 125.933 -6.114 25694 6490 1 17 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.534 0.239 25694 6491 1 17 . 1 1 49 49 VAL C C 49 174.235 174.235 173.283 0.952 25694 6492 1 17 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.517 -1.251 25694 6493 1 17 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.446 -0.446 25694 6494 1 17 . 1 1 49 49 VAL H H 49 9.150 9.150 9.185 -0.035 25694 6495 1 17 . 1 1 50 50 CYS N N 50 120.721 120.721 125.388 -4.667 25694 6496 1 17 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.559 0.094 25694 6497 1 17 . 1 1 50 50 CYS C C 50 174.078 174.078 174.768 -0.690 25694 6498 1 17 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.580 -1.152 25694 6499 1 17 . 1 1 50 50 CYS CB C 50 45.270 45.270 27.751 17.519 25694 6500 1 17 . 1 1 50 50 CYS H H 50 8.854 8.854 8.669 0.185 25694 6501 1 17 . 1 1 51 51 ILE N N 51 124.038 124.038 123.528 0.510 25694 6502 1 17 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.387 0.123 25694 6503 1 17 . 1 1 51 51 ILE C C 51 174.775 174.775 174.705 0.070 25694 6504 1 17 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.656 -1.356 25694 6505 1 17 . 1 1 51 51 ILE CB C 51 39.603 39.603 40.055 -0.452 25694 6506 1 17 . 1 1 51 51 ILE H H 51 8.934 8.934 8.997 -0.063 25694 6507 1 17 . 1 1 52 52 ASP N N 52 127.393 127.393 123.072 4.321 25694 6508 1 17 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.270 -0.525 25694 6509 1 17 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.188 0.702 25694 6510 1 17 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.446 0.716 25694 6511 1 17 . 1 1 52 52 ASP H H 52 8.098 8.098 8.124 -0.026 25694 6512 1 17 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.175 -0.090 25694 6513 1 17 . 1 1 53 53 PRO C C 53 176.500 176.500 175.560 0.940 25694 6514 1 17 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.185 1.325 25694 6515 1 17 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.308 0.964 25694 6516 1 17 . 1 1 54 54 LYS N N 54 116.899 116.899 116.811 0.088 25694 6517 1 17 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.307 -0.102 25694 6518 1 17 . 1 1 54 54 LYS C C 54 176.791 176.791 177.137 -0.346 25694 6519 1 17 . 1 1 54 54 LYS CA C 54 55.700 55.700 56.061 -0.361 25694 6520 1 17 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.718 -1.918 25694 6521 1 17 . 1 1 54 54 LYS H H 54 8.129 8.129 7.417 0.712 25694 6522 1 17 . 1 1 55 55 CYS N N 55 119.988 119.988 120.056 -0.068 25694 6523 1 17 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.314 0.083 25694 6524 1 17 . 1 1 55 55 CYS CA C 55 57.075 57.075 58.018 -0.943 25694 6525 1 17 . 1 1 55 55 CYS CB C 55 41.544 41.544 27.805 13.739 25694 6526 1 17 . 1 1 55 55 CYS H H 55 7.989 7.989 7.353 0.636 25694 6527 1 17 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.140 -0.013 25694 6528 1 17 . 1 1 56 56 LYS C C 56 178.326 178.326 178.019 0.307 25694 6529 1 17 . 1 1 56 56 LYS CA C 56 60.600 60.600 58.874 1.726 25694 6530 1 17 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.644 0.156 25694 6531 1 17 . 1 1 57 57 TRP N N 57 114.860 114.860 116.893 -2.033 25694 6532 1 17 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.615 0.290 25694 6533 1 17 . 1 1 57 57 TRP C C 57 177.803 177.803 177.687 0.116 25694 6534 1 17 . 1 1 57 57 TRP CA C 57 56.240 56.240 58.059 -1.819 25694 6535 1 17 . 1 1 57 57 TRP CB C 57 28.925 28.925 28.023 0.902 25694 6536 1 17 . 1 1 57 57 TRP H H 57 7.274 7.274 7.814 -0.540 25694 6537 1 17 . 1 1 58 58 CYS N N 58 121.960 121.960 117.901 4.059 25694 6538 1 17 . 1 1 58 58 CYS HA H 58 3.917 3.917 3.895 0.022 25694 6539 1 17 . 1 1 58 58 CYS C C 58 175.480 175.480 177.254 -1.774 25694 6540 1 17 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.304 4.531 25694 6541 1 17 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.680 10.687 25694 6542 1 17 . 1 1 58 58 CYS H H 58 7.780 7.780 7.098 0.682 25694 6543 1 17 . 1 1 59 59 GLN N N 59 119.203 119.203 119.746 -0.543 25694 6544 1 17 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.945 0.002 25694 6545 1 17 . 1 1 59 59 GLN C C 59 178.152 178.152 178.588 -0.436 25694 6546 1 17 . 1 1 59 59 GLN CA C 59 59.663 59.663 59.197 0.466 25694 6547 1 17 . 1 1 59 59 GLN CB C 59 27.972 27.972 28.200 -0.228 25694 6548 1 17 . 1 1 59 59 GLN H H 59 8.073 8.073 7.626 0.447 25694 6549 1 17 . 1 1 60 60 GLU N N 60 118.831 118.831 119.355 -0.524 25694 6550 1 17 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.182 -0.061 25694 6551 1 17 . 1 1 60 60 GLU C C 60 178.367 178.367 178.884 -0.517 25694 6552 1 17 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.759 0.581 25694 6553 1 17 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.137 0.759 25694 6554 1 17 . 1 1 60 60 GLU H H 60 8.085 8.085 7.781 0.304 25694 6555 1 17 . 1 1 61 61 TYR N N 61 118.802 118.802 121.964 -3.162 25694 6556 1 17 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.187 0.143 25694 6557 1 17 . 1 1 61 61 TYR C C 61 177.629 177.629 177.383 0.246 25694 6558 1 17 . 1 1 61 61 TYR CA C 61 61.281 61.281 61.139 0.142 25694 6559 1 17 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.115 0.841 25694 6560 1 17 . 1 1 61 61 TYR H H 61 7.666 7.666 8.520 -0.854 25694 6561 1 17 . 1 1 62 62 LEU N N 62 119.351 119.351 118.956 0.395 25694 6562 1 17 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.601 0.266 25694 6563 1 17 . 1 1 62 62 LEU C C 62 178.724 178.724 179.132 -0.408 25694 6564 1 17 . 1 1 62 62 LEU CA C 62 57.619 57.619 58.161 -0.542 25694 6565 1 17 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.126 1.064 25694 6566 1 17 . 1 1 62 62 LEU H H 62 8.275 8.275 8.626 -0.351 25694 6567 1 17 . 1 1 63 63 GLU N N 63 118.049 118.049 117.303 0.746 25694 6568 1 17 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.033 -0.036 25694 6569 1 17 . 1 1 63 63 GLU C C 63 178.649 178.649 178.324 0.325 25694 6570 1 17 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.827 0.316 25694 6571 1 17 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.002 0.894 25694 6572 1 17 . 1 1 63 63 GLU H H 63 8.066 8.066 8.174 -0.108 25694 6573 1 17 . 1 1 64 64 LYS N N 64 117.297 117.297 118.310 -1.013 25694 6574 1 17 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.193 0.035 25694 6575 1 17 . 1 1 64 64 LYS C C 64 178.085 178.085 178.928 -0.843 25694 6576 1 17 . 1 1 64 64 LYS CA C 64 57.820 57.820 58.276 -0.456 25694 6577 1 17 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.453 0.355 25694 6578 1 17 . 1 1 64 64 LYS H H 64 7.572 7.572 7.412 0.160 25694 6579 1 17 . 1 1 65 65 ALA N N 65 121.570 121.570 122.207 -0.637 25694 6580 1 17 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.096 0.078 25694 6581 1 17 . 1 1 65 65 ALA C C 65 178.707 178.707 179.913 -1.206 25694 6582 1 17 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.542 -0.742 25694 6583 1 17 . 1 1 65 65 ALA CB C 65 19.534 19.534 17.853 1.681 25694 6584 1 17 . 1 1 65 65 ALA H H 65 7.964 7.964 8.247 -0.283 25694 6585 1 17 . 1 1 66 66 LEU N N 66 117.399 117.399 117.769 -0.370 25694 6586 1 17 . 1 1 66 66 LEU HA H 66 4.325 4.325 4.045 0.280 25694 6587 1 17 . 1 1 66 66 LEU C C 66 177.264 177.264 177.782 -0.518 25694 6588 1 17 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.688 -1.231 25694 6589 1 17 . 1 1 66 66 LEU CB C 66 42.500 42.500 42.009 0.491 25694 6590 1 17 . 1 1 66 66 LEU H H 66 7.888 7.888 7.851 0.037 25694 6591 1 17 . 1 1 67 67 ASN N N 67 118.846 118.846 114.822 4.024 25694 6592 1 17 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.861 -0.091 25694 6593 1 17 . 1 1 67 67 ASN C C 67 174.094 174.094 173.790 0.304 25694 6594 1 17 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.520 0.914 25694 6595 1 17 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.454 -0.175 25694 6596 1 17 . 1 1 67 67 ASN H H 67 7.959 7.959 7.889 0.070 25694 6597 1 18 . 1 1 0 0 MET HA H 0 4.501 4.501 4.904 -0.403 25694 6598 1 18 . 1 1 0 0 MET C C 0 176.102 176.102 174.530 1.572 25694 6599 1 18 . 1 1 0 0 MET CA C 0 55.781 55.781 54.493 1.288 25694 6600 1 18 . 1 1 0 0 MET CB C 0 33.455 33.455 35.990 -2.535 25694 6601 1 18 . 1 1 1 1 LYS N N 1 124.708 124.708 123.698 1.010 25694 6602 1 18 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.717 -0.079 25694 6603 1 18 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.408 0.078 25694 6604 1 18 . 1 1 1 1 LYS CB C 1 32.808 32.808 32.914 -0.106 25694 6605 1 18 . 1 1 1 1 LYS H H 1 8.503 8.503 8.167 0.336 25694 6606 1 18 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.356 0.128 25694 6607 1 18 . 1 1 2 2 PRO C C 2 177.031 177.031 176.456 0.575 25694 6608 1 18 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.432 0.768 25694 6609 1 18 . 1 1 2 2 PRO CB C 2 32.161 32.161 32.161 0.000 25694 6610 1 18 . 1 1 3 3 VAL N N 3 120.641 120.641 124.856 -4.215 25694 6611 1 18 . 1 1 3 3 VAL HA H 3 4.119 4.119 3.887 0.232 25694 6612 1 18 . 1 1 3 3 VAL C C 3 176.393 176.393 175.618 0.775 25694 6613 1 18 . 1 1 3 3 VAL CA C 3 62.495 62.495 63.711 -1.216 25694 6614 1 18 . 1 1 3 3 VAL CB C 3 33.100 33.100 32.591 0.509 25694 6615 1 18 . 1 1 3 3 VAL H H 3 8.290 8.290 8.380 -0.090 25694 6616 1 18 . 1 1 4 4 SER N N 4 119.097 119.097 124.428 -5.331 25694 6617 1 18 . 1 1 4 4 SER HA H 4 4.470 4.470 4.678 -0.208 25694 6618 1 18 . 1 1 4 4 SER C C 4 174.617 174.617 174.750 -0.133 25694 6619 1 18 . 1 1 4 4 SER CA C 4 58.369 58.369 57.315 1.054 25694 6620 1 18 . 1 1 4 4 SER CB C 4 64.187 64.187 64.806 -0.619 25694 6621 1 18 . 1 1 4 4 SER H H 4 8.349 8.349 8.192 0.157 25694 6622 1 18 . 1 1 5 5 LEU N N 5 124.723 124.723 119.888 4.835 25694 6623 1 18 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.107 0.273 25694 6624 1 18 . 1 1 5 5 LEU C C 5 177.355 177.355 176.203 1.152 25694 6625 1 18 . 1 1 5 5 LEU CA C 5 55.388 55.388 56.790 -1.402 25694 6626 1 18 . 1 1 5 5 LEU CB C 5 42.515 42.515 41.354 1.161 25694 6627 1 18 . 1 1 5 5 LEU H H 5 8.339 8.339 8.584 -0.245 25694 6628 1 18 . 1 1 6 6 SER N N 6 115.926 115.926 115.717 0.209 25694 6629 1 18 . 1 1 6 6 SER HA H 6 4.414 4.414 4.585 -0.171 25694 6630 1 18 . 1 1 6 6 SER C C 6 174.235 174.235 174.248 -0.013 25694 6631 1 18 . 1 1 6 6 SER CA C 6 58.369 58.369 57.213 1.156 25694 6632 1 18 . 1 1 6 6 SER CB C 6 64.187 64.187 62.389 1.798 25694 6633 1 18 . 1 1 6 6 SER H H 6 8.199 8.199 8.326 -0.127 25694 6634 1 18 . 1 1 7 7 TYR N N 7 122.124 122.124 122.334 -0.210 25694 6635 1 18 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.464 0.112 25694 6636 1 18 . 1 1 7 7 TYR C C 7 175.530 175.530 175.816 -0.286 25694 6637 1 18 . 1 1 7 7 TYR CA C 7 58.008 58.008 58.948 -0.940 25694 6638 1 18 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.838 0.131 25694 6639 1 18 . 1 1 7 7 TYR H H 7 8.049 8.049 7.593 0.456 25694 6640 1 18 . 1 1 8 8 ARG N N 8 121.947 121.947 117.116 4.831 25694 6641 1 18 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.235 0.091 25694 6642 1 18 . 1 1 8 8 ARG C C 8 175.845 175.845 173.748 2.097 25694 6643 1 18 . 1 1 8 8 ARG CA C 8 56.104 56.104 55.395 0.709 25694 6644 1 18 . 1 1 8 8 ARG CB C 8 31.100 31.100 31.843 -0.743 25694 6645 1 18 . 1 1 8 8 ARG H H 8 8.177 8.177 6.849 1.328 25694 6646 1 18 . 1 1 9 9 CYS N N 9 120.943 120.943 121.777 -0.834 25694 6647 1 18 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.580 0.374 25694 6648 1 18 . 1 1 9 9 CYS CA C 9 53.127 53.127 57.259 -4.132 25694 6649 1 18 . 1 1 9 9 CYS CB C 9 40.218 40.218 25.404 14.814 25694 6650 1 18 . 1 1 9 9 CYS H H 9 8.173 8.173 8.571 -0.398 25694 6651 1 18 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.419 -0.067 25694 6652 1 18 . 1 1 10 10 PRO C C 10 177.347 177.347 175.878 1.469 25694 6653 1 18 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.850 1.009 25694 6654 1 18 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.174 0.334 25694 6655 1 18 . 1 1 11 11 CYS N N 11 114.096 114.096 116.315 -2.219 25694 6656 1 18 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.634 0.091 25694 6657 1 18 . 1 1 11 11 CYS CA C 11 53.429 53.429 58.572 -5.143 25694 6658 1 18 . 1 1 11 11 CYS CB C 11 39.279 39.279 29.033 10.246 25694 6659 1 18 . 1 1 11 11 CYS H H 11 8.232 8.232 7.839 0.393 25694 6660 1 18 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.103 -0.034 25694 6661 1 18 . 1 1 12 12 ARG C C 12 175.106 175.106 175.067 0.039 25694 6662 1 18 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.891 0.109 25694 6663 1 18 . 1 1 12 12 ARG CB C 12 31.500 31.500 31.027 0.473 25694 6664 1 18 . 1 1 13 13 PHE N N 13 116.259 116.259 118.112 -1.853 25694 6665 1 18 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.326 0.304 25694 6666 1 18 . 1 1 13 13 PHE C C 13 174.227 174.227 174.756 -0.529 25694 6667 1 18 . 1 1 13 13 PHE CA C 13 55.971 55.971 57.042 -1.071 25694 6668 1 18 . 1 1 13 13 PHE CB C 13 41.059 41.059 40.123 0.936 25694 6669 1 18 . 1 1 13 13 PHE H H 13 7.572 7.572 7.444 0.128 25694 6670 1 18 . 1 1 14 14 PHE N N 14 119.623 119.623 118.304 1.319 25694 6671 1 18 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.822 0.114 25694 6672 1 18 . 1 1 14 14 PHE C C 14 175.496 175.496 175.167 0.329 25694 6673 1 18 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.323 -0.176 25694 6674 1 18 . 1 1 14 14 PHE CB C 14 41.544 41.544 42.712 -1.167 25694 6675 1 18 . 1 1 14 14 PHE H H 14 8.450 8.450 8.318 0.132 25694 6676 1 18 . 1 1 15 15 GLU N N 15 122.147 122.147 121.831 0.316 25694 6677 1 18 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.708 -0.073 25694 6678 1 18 . 1 1 15 15 GLU C C 15 176.990 176.990 175.751 1.239 25694 6679 1 18 . 1 1 15 15 GLU CA C 15 55.780 55.780 55.373 0.407 25694 6680 1 18 . 1 1 15 15 GLU CB C 15 31.109 31.109 32.394 -1.284 25694 6681 1 18 . 1 1 15 15 GLU H H 15 8.956 8.956 9.009 -0.053 25694 6682 1 18 . 1 1 16 16 SER N N 16 119.943 119.943 116.536 3.407 25694 6683 1 18 . 1 1 16 16 SER HA H 16 4.598 4.598 4.546 0.052 25694 6684 1 18 . 1 1 16 16 SER C C 16 174.385 174.385 173.291 1.094 25694 6685 1 18 . 1 1 16 16 SER CA C 16 59.799 59.799 57.528 2.272 25694 6686 1 18 . 1 1 16 16 SER CB C 16 64.517 64.517 63.937 0.580 25694 6687 1 18 . 1 1 16 16 SER H H 16 8.943 8.943 8.477 0.466 25694 6688 1 18 . 1 1 17 17 HIS N N 17 119.124 119.124 116.753 2.371 25694 6689 1 18 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.262 0.438 25694 6690 1 18 . 1 1 17 17 HIS C C 17 174.567 174.567 173.169 1.398 25694 6691 1 18 . 1 1 17 17 HIS CA C 17 56.751 56.751 56.392 0.360 25694 6692 1 18 . 1 1 17 17 HIS CB C 17 29.896 29.896 27.471 2.425 25694 6693 1 18 . 1 1 17 17 HIS H H 17 8.649 8.649 8.516 0.133 25694 6694 1 18 . 1 1 18 18 VAL N N 18 121.960 121.960 120.763 1.197 25694 6695 1 18 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.333 -0.176 25694 6696 1 18 . 1 1 18 18 VAL C C 18 175.140 175.140 174.603 0.537 25694 6697 1 18 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.244 0.684 25694 6698 1 18 . 1 1 18 18 VAL CB C 18 33.700 33.700 33.800 -0.100 25694 6699 1 18 . 1 1 18 18 VAL H H 18 7.876 7.876 8.065 -0.189 25694 6700 1 18 . 1 1 19 19 ALA N N 19 132.226 132.226 127.771 4.455 25694 6701 1 18 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.736 -0.221 25694 6702 1 18 . 1 1 19 19 ALA C C 19 178.060 178.060 177.217 0.843 25694 6703 1 18 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.556 0.944 25694 6704 1 18 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.114 -1.230 25694 6705 1 18 . 1 1 19 19 ALA H H 19 8.843 8.843 8.534 0.309 25694 6706 1 18 . 1 1 20 20 ARG N N 20 125.791 125.791 124.150 1.641 25694 6707 1 18 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.223 -0.386 25694 6708 1 18 . 1 1 20 20 ARG C C 20 178.459 178.459 176.451 2.008 25694 6709 1 18 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.001 0.638 25694 6710 1 18 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.581 -0.656 25694 6711 1 18 . 1 1 20 20 ARG H H 20 8.196 8.196 8.487 -0.291 25694 6712 1 18 . 1 1 21 21 ALA N N 21 117.396 117.396 119.081 -1.685 25694 6713 1 18 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.163 -0.081 25694 6714 1 18 . 1 1 21 21 ALA C C 21 177.745 177.745 177.208 0.537 25694 6715 1 18 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.727 0.082 25694 6716 1 18 . 1 1 21 21 ALA CB C 21 18.884 18.884 19.168 -0.284 25694 6717 1 18 . 1 1 21 21 ALA H H 21 8.309 8.309 8.006 0.303 25694 6718 1 18 . 1 1 22 22 ASN N N 22 113.201 113.201 114.653 -1.452 25694 6719 1 18 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.692 0.282 25694 6720 1 18 . 1 1 22 22 ASN C C 22 174.999 174.999 173.914 1.085 25694 6721 1 18 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.638 -0.048 25694 6722 1 18 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.061 0.839 25694 6723 1 18 . 1 1 22 22 ASN H H 22 7.796 7.796 7.794 0.002 25694 6724 1 18 . 1 1 23 23 VAL N N 23 117.829 117.829 112.986 4.843 25694 6725 1 18 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.887 -0.399 25694 6726 1 18 . 1 1 23 23 VAL C C 23 174.393 174.393 175.065 -0.672 25694 6727 1 18 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.359 1.891 25694 6728 1 18 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.910 -1.210 25694 6729 1 18 . 1 1 23 23 VAL H H 23 7.477 7.477 6.956 0.521 25694 6730 1 18 . 1 1 24 24 LYS N N 24 123.962 123.962 123.249 0.713 25694 6731 1 18 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.434 0.046 25694 6732 1 18 . 1 1 24 24 LYS C C 24 175.090 175.090 176.602 -1.512 25694 6733 1 18 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.545 -0.441 25694 6734 1 18 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.505 1.891 25694 6735 1 18 . 1 1 24 24 LYS H H 24 9.276 9.276 8.546 0.730 25694 6736 1 18 . 1 1 25 25 HIS N N 25 115.921 115.921 118.897 -2.976 25694 6737 1 18 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.762 -0.059 25694 6738 1 18 . 1 1 25 25 HIS C C 25 173.364 173.364 172.340 1.024 25694 6739 1 18 . 1 1 25 25 HIS CA C 25 55.781 55.781 55.818 -0.037 25694 6740 1 18 . 1 1 25 25 HIS CB C 25 32.161 32.161 33.184 -1.023 25694 6741 1 18 . 1 1 25 25 HIS H H 25 7.964 7.964 7.652 0.312 25694 6742 1 18 . 1 1 26 26 LEU N N 26 122.215 122.215 124.643 -2.428 25694 6743 1 18 . 1 1 26 26 LEU HA H 26 4.968 4.968 4.528 0.440 25694 6744 1 18 . 1 1 26 26 LEU C C 26 175.720 175.720 174.659 1.061 25694 6745 1 18 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.658 1.799 25694 6746 1 18 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.562 0.032 25694 6747 1 18 . 1 1 26 26 LEU H H 26 8.076 8.076 8.247 -0.171 25694 6748 1 18 . 1 1 27 27 LYS N N 27 122.738 122.738 123.108 -0.370 25694 6749 1 18 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.731 0.038 25694 6750 1 18 . 1 1 27 27 LYS C C 27 173.953 173.953 174.656 -0.703 25694 6751 1 18 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.449 0.681 25694 6752 1 18 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.506 0.794 25694 6753 1 18 . 1 1 27 27 LYS H H 27 9.113 9.113 8.681 0.432 25694 6754 1 18 . 1 1 28 28 ILE N N 28 122.212 122.212 124.350 -2.138 25694 6755 1 18 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.733 0.043 25694 6756 1 18 . 1 1 28 28 ILE C C 28 175.895 175.895 175.224 0.671 25694 6757 1 18 . 1 1 28 28 ILE CA C 28 60.200 60.200 59.970 0.230 25694 6758 1 18 . 1 1 28 28 ILE CB C 28 39.200 39.200 39.251 -0.051 25694 6759 1 18 . 1 1 28 28 ILE H H 28 8.535 8.535 8.776 -0.241 25694 6760 1 18 . 1 1 29 29 LEU N N 29 128.977 128.977 132.674 -3.697 25694 6761 1 18 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.570 0.145 25694 6762 1 18 . 1 1 29 29 LEU C C 29 175.438 175.438 175.115 0.323 25694 6763 1 18 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.611 0.489 25694 6764 1 18 . 1 1 29 29 LEU CB C 29 44.132 44.132 39.224 4.908 25694 6765 1 18 . 1 1 29 29 LEU H H 29 9.137 9.137 8.825 0.312 25694 6766 1 18 . 1 1 30 30 ASN N N 30 124.331 124.331 122.399 1.932 25694 6767 1 18 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.912 0.233 25694 6768 1 18 . 1 1 30 30 ASN C C 30 174.335 174.335 174.227 0.108 25694 6769 1 18 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.721 0.691 25694 6770 1 18 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.797 0.803 25694 6771 1 18 . 1 1 30 30 ASN H H 30 8.824 8.824 8.032 0.792 25694 6772 1 18 . 1 1 31 31 THR N N 31 118.685 118.685 116.894 1.791 25694 6773 1 18 . 1 1 31 31 THR HA H 31 4.796 4.796 4.801 -0.005 25694 6774 1 18 . 1 1 31 31 THR CA C 31 59.600 59.600 58.850 0.750 25694 6775 1 18 . 1 1 31 31 THR CB C 31 70.459 70.459 69.240 1.219 25694 6776 1 18 . 1 1 31 31 THR H H 31 8.456 8.456 7.705 0.751 25694 6777 1 18 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.474 -0.184 25694 6778 1 18 . 1 1 32 32 PRO C C 32 177.197 177.197 177.236 -0.039 25694 6779 1 18 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.255 0.586 25694 6780 1 18 . 1 1 32 32 PRO CB C 32 32.170 32.170 32.011 0.159 25694 6781 1 18 . 1 1 33 33 ASN N N 33 112.484 112.484 114.812 -2.328 25694 6782 1 18 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.748 -0.267 25694 6783 1 18 . 1 1 33 33 ASN C C 33 174.526 174.526 174.937 -0.411 25694 6784 1 18 . 1 1 33 33 ASN CA C 33 54.945 54.945 53.784 1.161 25694 6785 1 18 . 1 1 33 33 ASN CB C 33 38.632 38.632 39.449 -0.817 25694 6786 1 18 . 1 1 33 33 ASN H H 33 8.470 8.470 8.834 -0.364 25694 6787 1 18 . 1 1 34 34 CYS N N 34 116.720 116.720 116.438 0.282 25694 6788 1 18 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.670 0.257 25694 6789 1 18 . 1 1 34 34 CYS C C 34 173.762 173.762 173.366 0.396 25694 6790 1 18 . 1 1 34 34 CYS CA C 34 54.810 54.810 57.389 -2.579 25694 6791 1 18 . 1 1 34 34 CYS CB C 34 44.100 44.100 30.572 13.528 25694 6792 1 18 . 1 1 34 34 CYS H H 34 7.663 7.663 7.314 0.349 25694 6793 1 18 . 1 1 35 35 ALA N N 35 125.254 125.254 122.524 2.730 25694 6794 1 18 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.436 -0.139 25694 6795 1 18 . 1 1 35 35 ALA C C 35 176.882 176.882 176.373 0.509 25694 6796 1 18 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.852 0.561 25694 6797 1 18 . 1 1 35 35 ALA CB C 35 18.968 18.968 19.635 -0.667 25694 6798 1 18 . 1 1 35 35 ALA H H 35 8.449 8.449 8.281 0.168 25694 6799 1 18 . 1 1 36 36 LEU N N 36 122.078 122.078 119.571 2.507 25694 6800 1 18 . 1 1 36 36 LEU HA H 36 4.401 4.401 5.235 -0.834 25694 6801 1 18 . 1 1 36 36 LEU C C 36 176.442 176.442 176.304 0.138 25694 6802 1 18 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.001 2.751 25694 6803 1 18 . 1 1 36 36 LEU CB C 36 42.465 42.465 43.279 -0.814 25694 6804 1 18 . 1 1 36 36 LEU H H 36 8.073 8.073 8.148 -0.075 25694 6805 1 18 . 1 1 37 37 GLN N N 37 121.790 121.790 124.169 -2.379 25694 6806 1 18 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.933 -0.185 25694 6807 1 18 . 1 1 37 37 GLN C C 37 173.804 173.804 175.027 -1.223 25694 6808 1 18 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.171 0.229 25694 6809 1 18 . 1 1 37 37 GLN CB C 37 32.463 32.463 32.240 0.223 25694 6810 1 18 . 1 1 37 37 GLN H H 37 8.397 8.397 8.698 -0.301 25694 6811 1 18 . 1 1 38 38 ILE N N 38 123.702 123.702 122.458 1.244 25694 6812 1 18 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.560 0.185 25694 6813 1 18 . 1 1 38 38 ILE C C 38 174.808 174.808 174.750 0.058 25694 6814 1 18 . 1 1 38 38 ILE CA C 38 60.950 60.950 60.783 0.167 25694 6815 1 18 . 1 1 38 38 ILE CB C 38 39.600 39.600 39.104 0.496 25694 6816 1 18 . 1 1 38 38 ILE H H 38 9.213 9.213 8.525 0.688 25694 6817 1 18 . 1 1 39 39 VAL N N 39 125.930 125.930 128.754 -2.824 25694 6818 1 18 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.888 0.128 25694 6819 1 18 . 1 1 39 39 VAL C C 39 174.741 174.741 174.378 0.363 25694 6820 1 18 . 1 1 39 39 VAL CA C 39 60.950 60.950 60.638 0.312 25694 6821 1 18 . 1 1 39 39 VAL CB C 39 34.426 34.426 32.551 1.875 25694 6822 1 18 . 1 1 39 39 VAL H H 39 9.056 9.056 8.704 0.352 25694 6823 1 18 . 1 1 40 40 ALA N N 40 127.551 127.551 131.323 -3.772 25694 6824 1 18 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.022 0.310 25694 6825 1 18 . 1 1 40 40 ALA C C 40 175.948 175.948 175.380 0.568 25694 6826 1 18 . 1 1 40 40 ALA CA C 40 50.280 50.280 50.074 0.206 25694 6827 1 18 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.387 0.676 25694 6828 1 18 . 1 1 40 40 ALA H H 40 9.335 9.335 9.480 -0.145 25694 6829 1 18 . 1 1 41 41 ARG N N 41 118.658 118.658 120.439 -1.781 25694 6830 1 18 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.117 0.102 25694 6831 1 18 . 1 1 41 41 ARG C C 41 176.310 176.310 175.596 0.714 25694 6832 1 18 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.356 0.744 25694 6833 1 18 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.495 0.933 25694 6834 1 18 . 1 1 41 41 ARG H H 41 8.511 8.511 8.971 -0.460 25694 6835 1 18 . 1 1 42 42 LEU N N 42 125.307 125.307 125.499 -0.192 25694 6836 1 18 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.761 0.165 25694 6837 1 18 . 1 1 42 42 LEU C C 42 178.475 178.475 178.107 0.368 25694 6838 1 18 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.383 -1.054 25694 6839 1 18 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.148 -0.651 25694 6840 1 18 . 1 1 42 42 LEU H H 42 9.038 9.038 8.973 0.065 25694 6841 1 18 . 1 1 43 43 LYS N N 43 120.597 120.597 122.755 -2.158 25694 6842 1 18 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.950 -0.117 25694 6843 1 18 . 1 1 43 43 LYS C C 43 178.342 178.342 178.869 -0.527 25694 6844 1 18 . 1 1 43 43 LYS CA C 43 59.340 59.340 60.277 -0.937 25694 6845 1 18 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.432 1.012 25694 6846 1 18 . 1 1 43 43 LYS H H 43 8.480 8.480 8.899 -0.419 25694 6847 1 18 . 1 1 44 44 ASN N N 44 114.812 114.812 117.297 -2.485 25694 6848 1 18 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.525 -0.049 25694 6849 1 18 . 1 1 44 44 ASN C C 44 176.032 176.032 176.534 -0.502 25694 6850 1 18 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.409 0.371 25694 6851 1 18 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.370 0.137 25694 6852 1 18 . 1 1 44 44 ASN H H 44 8.725 8.725 8.463 0.262 25694 6853 1 18 . 1 1 45 45 ASN N N 45 115.093 115.093 118.597 -3.504 25694 6854 1 18 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.589 0.149 25694 6855 1 18 . 1 1 45 45 ASN C C 45 175.513 175.513 174.952 0.561 25694 6856 1 18 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.798 -0.029 25694 6857 1 18 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.600 0.611 25694 6858 1 18 . 1 1 45 45 ASN H H 45 7.519 7.519 8.197 -0.678 25694 6859 1 18 . 1 1 46 46 ASN N N 46 116.121 116.121 113.075 3.046 25694 6860 1 18 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.549 0.120 25694 6861 1 18 . 1 1 46 46 ASN C C 46 174.816 174.816 173.830 0.986 25694 6862 1 18 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.586 0.214 25694 6863 1 18 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.682 1.597 25694 6864 1 18 . 1 1 46 46 ASN H H 46 8.033 8.033 8.413 -0.380 25694 6865 1 18 . 1 1 47 47 ARG N N 47 119.917 119.917 117.807 2.110 25694 6866 1 18 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.322 -0.069 25694 6867 1 18 . 1 1 47 47 ARG C C 47 175.845 175.845 175.565 0.280 25694 6868 1 18 . 1 1 47 47 ARG CA C 47 57.084 57.084 56.284 0.800 25694 6869 1 18 . 1 1 47 47 ARG CB C 47 31.785 31.785 30.993 0.792 25694 6870 1 18 . 1 1 47 47 ARG H H 47 7.981 7.981 7.904 0.077 25694 6871 1 18 . 1 1 48 48 GLN N N 48 123.497 123.497 123.755 -0.258 25694 6872 1 18 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.133 0.109 25694 6873 1 18 . 1 1 48 48 GLN C C 48 175.629 175.629 174.930 0.699 25694 6874 1 18 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.685 0.095 25694 6875 1 18 . 1 1 48 48 GLN CB C 48 31.190 31.190 29.819 1.371 25694 6876 1 18 . 1 1 48 48 GLN H H 48 8.737 8.737 8.447 0.290 25694 6877 1 18 . 1 1 49 49 VAL N N 49 119.819 119.819 124.872 -5.053 25694 6878 1 18 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.505 0.268 25694 6879 1 18 . 1 1 49 49 VAL C C 49 174.235 174.235 173.367 0.868 25694 6880 1 18 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.329 -1.063 25694 6881 1 18 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.782 -0.782 25694 6882 1 18 . 1 1 49 49 VAL H H 49 9.150 9.150 9.094 0.056 25694 6883 1 18 . 1 1 50 50 CYS N N 50 120.721 120.721 122.275 -1.554 25694 6884 1 18 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.783 -0.130 25694 6885 1 18 . 1 1 50 50 CYS C C 50 174.078 174.078 175.207 -1.129 25694 6886 1 18 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.409 -0.981 25694 6887 1 18 . 1 1 50 50 CYS CB C 50 45.270 45.270 28.287 16.983 25694 6888 1 18 . 1 1 50 50 CYS H H 50 8.854 8.854 8.781 0.073 25694 6889 1 18 . 1 1 51 51 ILE N N 51 124.038 124.038 122.603 1.435 25694 6890 1 18 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.442 0.068 25694 6891 1 18 . 1 1 51 51 ILE C C 51 174.775 174.775 174.640 0.135 25694 6892 1 18 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.552 -1.252 25694 6893 1 18 . 1 1 51 51 ILE CB C 51 39.603 39.603 40.874 -1.271 25694 6894 1 18 . 1 1 51 51 ILE H H 51 8.934 8.934 9.075 -0.141 25694 6895 1 18 . 1 1 52 52 ASP N N 52 127.393 127.393 123.742 3.651 25694 6896 1 18 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.204 -0.459 25694 6897 1 18 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.121 0.769 25694 6898 1 18 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.421 0.741 25694 6899 1 18 . 1 1 52 52 ASP H H 52 8.098 8.098 8.082 0.016 25694 6900 1 18 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.275 -0.190 25694 6901 1 18 . 1 1 53 53 PRO C C 53 176.500 176.500 176.266 0.234 25694 6902 1 18 . 1 1 53 53 PRO CA C 53 64.510 64.510 62.868 1.642 25694 6903 1 18 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.125 1.147 25694 6904 1 18 . 1 1 54 54 LYS N N 54 116.899 116.899 117.362 -0.463 25694 6905 1 18 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.328 -0.123 25694 6906 1 18 . 1 1 54 54 LYS C C 54 176.791 176.791 177.224 -0.433 25694 6907 1 18 . 1 1 54 54 LYS CA C 54 55.700 55.700 56.107 -0.407 25694 6908 1 18 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.854 -2.054 25694 6909 1 18 . 1 1 54 54 LYS H H 54 8.129 8.129 7.477 0.652 25694 6910 1 18 . 1 1 55 55 CYS N N 55 119.988 119.988 119.664 0.324 25694 6911 1 18 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.376 0.021 25694 6912 1 18 . 1 1 55 55 CYS CA C 55 57.075 57.075 57.684 -0.609 25694 6913 1 18 . 1 1 55 55 CYS CB C 55 41.544 41.544 27.828 13.716 25694 6914 1 18 . 1 1 55 55 CYS H H 55 7.989 7.989 7.466 0.523 25694 6915 1 18 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.132 -0.005 25694 6916 1 18 . 1 1 56 56 LYS C C 56 178.326 178.326 178.091 0.235 25694 6917 1 18 . 1 1 56 56 LYS CA C 56 60.600 60.600 58.755 1.845 25694 6918 1 18 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.609 0.191 25694 6919 1 18 . 1 1 57 57 TRP N N 57 114.860 114.860 116.705 -1.845 25694 6920 1 18 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.698 0.207 25694 6921 1 18 . 1 1 57 57 TRP C C 57 177.803 177.803 177.454 0.349 25694 6922 1 18 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.891 -1.651 25694 6923 1 18 . 1 1 57 57 TRP CB C 57 28.925 28.925 27.545 1.380 25694 6924 1 18 . 1 1 57 57 TRP H H 57 7.274 7.274 7.996 -0.722 25694 6925 1 18 . 1 1 58 58 CYS N N 58 121.960 121.960 116.668 5.292 25694 6926 1 18 . 1 1 58 58 CYS HA H 58 3.917 3.917 4.151 -0.234 25694 6927 1 18 . 1 1 58 58 CYS C C 58 175.480 175.480 177.188 -1.708 25694 6928 1 18 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.155 4.680 25694 6929 1 18 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.569 10.798 25694 6930 1 18 . 1 1 58 58 CYS H H 58 7.780 7.780 7.328 0.452 25694 6931 1 18 . 1 1 59 59 GLN N N 59 119.203 119.203 121.363 -2.160 25694 6932 1 18 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.894 0.053 25694 6933 1 18 . 1 1 59 59 GLN C C 59 178.152 178.152 178.107 0.045 25694 6934 1 18 . 1 1 59 59 GLN CA C 59 59.663 59.663 59.063 0.600 25694 6935 1 18 . 1 1 59 59 GLN CB C 59 27.972 27.972 28.003 -0.031 25694 6936 1 18 . 1 1 59 59 GLN H H 59 8.073 8.073 8.257 -0.184 25694 6937 1 18 . 1 1 60 60 GLU N N 60 118.831 118.831 118.725 0.106 25694 6938 1 18 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.111 0.010 25694 6939 1 18 . 1 1 60 60 GLU C C 60 178.367 178.367 178.842 -0.475 25694 6940 1 18 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.760 0.580 25694 6941 1 18 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.692 0.204 25694 6942 1 18 . 1 1 60 60 GLU H H 60 8.085 8.085 7.874 0.211 25694 6943 1 18 . 1 1 61 61 TYR N N 61 118.802 118.802 121.212 -2.410 25694 6944 1 18 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.271 0.059 25694 6945 1 18 . 1 1 61 61 TYR C C 61 177.629 177.629 177.026 0.603 25694 6946 1 18 . 1 1 61 61 TYR CA C 61 61.281 61.281 61.020 0.261 25694 6947 1 18 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.395 0.561 25694 6948 1 18 . 1 1 61 61 TYR H H 61 7.666 7.666 7.895 -0.229 25694 6949 1 18 . 1 1 62 62 LEU N N 62 119.351 119.351 118.659 0.692 25694 6950 1 18 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.341 0.526 25694 6951 1 18 . 1 1 62 62 LEU C C 62 178.724 178.724 178.895 -0.171 25694 6952 1 18 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.671 -0.052 25694 6953 1 18 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.082 1.108 25694 6954 1 18 . 1 1 62 62 LEU H H 62 8.275 8.275 8.279 -0.004 25694 6955 1 18 . 1 1 63 63 GLU N N 63 118.049 118.049 117.023 1.026 25694 6956 1 18 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.120 -0.123 25694 6957 1 18 . 1 1 63 63 GLU C C 63 178.649 178.649 179.241 -0.592 25694 6958 1 18 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.751 0.392 25694 6959 1 18 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.089 0.807 25694 6960 1 18 . 1 1 63 63 GLU H H 63 8.066 8.066 7.917 0.149 25694 6961 1 18 . 1 1 64 64 LYS N N 64 117.297 117.297 120.762 -3.465 25694 6962 1 18 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.110 0.118 25694 6963 1 18 . 1 1 64 64 LYS C C 64 178.085 178.085 179.103 -1.018 25694 6964 1 18 . 1 1 64 64 LYS CA C 64 57.820 57.820 59.080 -1.260 25694 6965 1 18 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.540 0.268 25694 6966 1 18 . 1 1 64 64 LYS H H 64 7.572 7.572 7.630 -0.058 25694 6967 1 18 . 1 1 65 65 ALA N N 65 121.570 121.570 121.087 0.483 25694 6968 1 18 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.180 -0.006 25694 6969 1 18 . 1 1 65 65 ALA C C 65 178.707 178.707 179.654 -0.947 25694 6970 1 18 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.715 -0.915 25694 6971 1 18 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.325 1.209 25694 6972 1 18 . 1 1 65 65 ALA H H 65 7.964 7.964 8.417 -0.453 25694 6973 1 18 . 1 1 66 66 LEU N N 66 117.399 117.399 118.118 -0.719 25694 6974 1 18 . 1 1 66 66 LEU HA H 66 4.325 4.325 4.137 0.188 25694 6975 1 18 . 1 1 66 66 LEU C C 66 177.264 177.264 177.703 -0.439 25694 6976 1 18 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.193 -0.736 25694 6977 1 18 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.623 0.877 25694 6978 1 18 . 1 1 66 66 LEU H H 66 7.888 7.888 7.666 0.222 25694 6979 1 18 . 1 1 67 67 ASN N N 67 118.846 118.846 116.313 2.533 25694 6980 1 18 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.779 -0.009 25694 6981 1 18 . 1 1 67 67 ASN C C 67 174.094 174.094 174.647 -0.553 25694 6982 1 18 . 1 1 67 67 ASN CA C 67 53.434 53.434 53.096 0.337 25694 6983 1 18 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.605 -0.326 25694 6984 1 18 . 1 1 67 67 ASN H H 67 7.959 7.959 8.001 -0.042 25694 6985 1 19 . 1 1 0 0 MET HA H 0 4.501 4.501 5.149 -0.648 25694 6986 1 19 . 1 1 0 0 MET C C 0 176.102 176.102 174.513 1.589 25694 6987 1 19 . 1 1 0 0 MET CA C 0 55.781 55.781 54.685 1.096 25694 6988 1 19 . 1 1 0 0 MET CB C 0 33.455 33.455 35.039 -1.584 25694 6989 1 19 . 1 1 1 1 LYS N N 1 124.708 124.708 122.959 1.749 25694 6990 1 19 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.883 -0.245 25694 6991 1 19 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.372 0.114 25694 6992 1 19 . 1 1 1 1 LYS CB C 1 32.808 32.808 33.663 -0.855 25694 6993 1 19 . 1 1 1 1 LYS H H 1 8.503 8.503 8.163 0.340 25694 6994 1 19 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.451 0.033 25694 6995 1 19 . 1 1 2 2 PRO C C 2 177.031 177.031 176.820 0.211 25694 6996 1 19 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.856 0.344 25694 6997 1 19 . 1 1 2 2 PRO CB C 2 32.161 32.161 32.039 0.122 25694 6998 1 19 . 1 1 3 3 VAL N N 3 120.641 120.641 126.197 -5.556 25694 6999 1 19 . 1 1 3 3 VAL HA H 3 4.119 4.119 3.847 0.272 25694 7000 1 19 . 1 1 3 3 VAL C C 3 176.393 176.393 176.968 -0.575 25694 7001 1 19 . 1 1 3 3 VAL CA C 3 62.495 62.495 63.818 -1.323 25694 7002 1 19 . 1 1 3 3 VAL CB C 3 33.100 33.100 31.787 1.313 25694 7003 1 19 . 1 1 3 3 VAL H H 3 8.290 8.290 8.548 -0.258 25694 7004 1 19 . 1 1 4 4 SER N N 4 119.097 119.097 112.277 6.820 25694 7005 1 19 . 1 1 4 4 SER HA H 4 4.470 4.470 3.883 0.587 25694 7006 1 19 . 1 1 4 4 SER C C 4 174.617 174.617 173.710 0.907 25694 7007 1 19 . 1 1 4 4 SER CA C 4 58.369 58.369 58.201 0.168 25694 7008 1 19 . 1 1 4 4 SER CB C 4 64.187 64.187 63.067 1.120 25694 7009 1 19 . 1 1 4 4 SER H H 4 8.349 8.349 8.285 0.064 25694 7010 1 19 . 1 1 5 5 LEU N N 5 124.723 124.723 120.414 4.309 25694 7011 1 19 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.567 -0.187 25694 7012 1 19 . 1 1 5 5 LEU C C 5 177.355 177.355 175.143 2.212 25694 7013 1 19 . 1 1 5 5 LEU CA C 5 55.388 55.388 56.383 -0.995 25694 7014 1 19 . 1 1 5 5 LEU CB C 5 42.515 42.515 42.629 -0.114 25694 7015 1 19 . 1 1 5 5 LEU H H 5 8.339 8.339 8.027 0.312 25694 7016 1 19 . 1 1 6 6 SER N N 6 115.926 115.926 117.666 -1.740 25694 7017 1 19 . 1 1 6 6 SER HA H 6 4.414 4.414 4.836 -0.422 25694 7018 1 19 . 1 1 6 6 SER C C 6 174.235 174.235 173.572 0.663 25694 7019 1 19 . 1 1 6 6 SER CA C 6 58.369 58.369 58.380 -0.011 25694 7020 1 19 . 1 1 6 6 SER CB C 6 64.187 64.187 62.363 1.824 25694 7021 1 19 . 1 1 6 6 SER H H 6 8.199 8.199 8.396 -0.197 25694 7022 1 19 . 1 1 7 7 TYR N N 7 122.124 122.124 122.374 -0.250 25694 7023 1 19 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.670 -0.094 25694 7024 1 19 . 1 1 7 7 TYR C C 7 175.530 175.530 174.138 1.392 25694 7025 1 19 . 1 1 7 7 TYR CA C 7 58.008 58.008 56.590 1.419 25694 7026 1 19 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.794 0.175 25694 7027 1 19 . 1 1 7 7 TYR H H 7 8.049 8.049 7.969 0.080 25694 7028 1 19 . 1 1 8 8 ARG N N 8 121.947 121.947 117.364 4.583 25694 7029 1 19 . 1 1 8 8 ARG HA H 8 4.326 4.326 3.914 0.412 25694 7030 1 19 . 1 1 8 8 ARG C C 8 175.845 175.845 174.943 0.902 25694 7031 1 19 . 1 1 8 8 ARG CA C 8 56.104 56.104 56.373 -0.269 25694 7032 1 19 . 1 1 8 8 ARG CB C 8 31.100 31.100 29.521 1.579 25694 7033 1 19 . 1 1 8 8 ARG H H 8 8.177 8.177 7.850 0.327 25694 7034 1 19 . 1 1 9 9 CYS N N 9 120.943 120.943 121.215 -0.272 25694 7035 1 19 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.448 0.506 25694 7036 1 19 . 1 1 9 9 CYS CA C 9 53.127 53.127 57.206 -4.080 25694 7037 1 19 . 1 1 9 9 CYS CB C 9 40.218 40.218 26.419 13.799 25694 7038 1 19 . 1 1 9 9 CYS H H 9 8.173 8.173 8.428 -0.255 25694 7039 1 19 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.253 0.099 25694 7040 1 19 . 1 1 10 10 PRO C C 10 177.347 177.347 176.104 1.243 25694 7041 1 19 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.425 1.434 25694 7042 1 19 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.045 0.463 25694 7043 1 19 . 1 1 11 11 CYS N N 11 114.096 114.096 116.562 -2.466 25694 7044 1 19 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.687 0.038 25694 7045 1 19 . 1 1 11 11 CYS CA C 11 53.429 53.429 57.701 -4.272 25694 7046 1 19 . 1 1 11 11 CYS CB C 11 39.279 39.279 27.218 12.062 25694 7047 1 19 . 1 1 11 11 CYS H H 11 8.232 8.232 7.913 0.319 25694 7048 1 19 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.071 -0.002 25694 7049 1 19 . 1 1 12 12 ARG C C 12 175.106 175.106 175.110 -0.004 25694 7050 1 19 . 1 1 12 12 ARG CA C 12 57.000 57.000 57.086 -0.086 25694 7051 1 19 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.696 0.804 25694 7052 1 19 . 1 1 13 13 PHE N N 13 116.259 116.259 117.412 -1.153 25694 7053 1 19 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.477 0.153 25694 7054 1 19 . 1 1 13 13 PHE C C 13 174.227 174.227 174.211 0.016 25694 7055 1 19 . 1 1 13 13 PHE CA C 13 55.971 55.971 57.035 -1.065 25694 7056 1 19 . 1 1 13 13 PHE CB C 13 41.059 41.059 40.519 0.540 25694 7057 1 19 . 1 1 13 13 PHE H H 13 7.572 7.572 7.650 -0.078 25694 7058 1 19 . 1 1 14 14 PHE N N 14 119.623 119.623 117.802 1.821 25694 7059 1 19 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.849 0.087 25694 7060 1 19 . 1 1 14 14 PHE C C 14 175.496 175.496 174.838 0.658 25694 7061 1 19 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.562 -0.415 25694 7062 1 19 . 1 1 14 14 PHE CB C 14 41.544 41.544 42.309 -0.765 25694 7063 1 19 . 1 1 14 14 PHE H H 14 8.450 8.450 8.170 0.280 25694 7064 1 19 . 1 1 15 15 GLU N N 15 122.147 122.147 122.181 -0.034 25694 7065 1 19 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.679 -0.044 25694 7066 1 19 . 1 1 15 15 GLU C C 15 176.990 176.990 177.720 -0.730 25694 7067 1 19 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.886 0.894 25694 7068 1 19 . 1 1 15 15 GLU CB C 15 31.109 31.109 31.657 -0.548 25694 7069 1 19 . 1 1 15 15 GLU H H 15 8.956 8.956 9.111 -0.155 25694 7070 1 19 . 1 1 16 16 SER N N 16 119.943 119.943 122.489 -2.546 25694 7071 1 19 . 1 1 16 16 SER HA H 16 4.598 4.598 4.245 0.353 25694 7072 1 19 . 1 1 16 16 SER C C 16 174.385 174.385 174.437 -0.052 25694 7073 1 19 . 1 1 16 16 SER CA C 16 59.799 59.799 60.497 -0.698 25694 7074 1 19 . 1 1 16 16 SER CB C 16 64.517 64.517 63.290 1.227 25694 7075 1 19 . 1 1 16 16 SER H H 16 8.943 8.943 8.880 0.063 25694 7076 1 19 . 1 1 17 17 HIS N N 17 119.124 119.124 117.258 1.866 25694 7077 1 19 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.856 -0.156 25694 7078 1 19 . 1 1 17 17 HIS C C 17 174.567 174.567 173.312 1.255 25694 7079 1 19 . 1 1 17 17 HIS CA C 17 56.751 56.751 54.538 2.213 25694 7080 1 19 . 1 1 17 17 HIS CB C 17 29.896 29.896 29.865 0.031 25694 7081 1 19 . 1 1 17 17 HIS H H 17 8.649 8.649 8.804 -0.155 25694 7082 1 19 . 1 1 18 18 VAL N N 18 121.960 121.960 123.387 -1.427 25694 7083 1 19 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.278 -0.121 25694 7084 1 19 . 1 1 18 18 VAL C C 18 175.140 175.140 174.907 0.233 25694 7085 1 19 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.569 0.359 25694 7086 1 19 . 1 1 18 18 VAL CB C 18 33.700 33.700 33.754 -0.054 25694 7087 1 19 . 1 1 18 18 VAL H H 18 7.876 7.876 8.275 -0.399 25694 7088 1 19 . 1 1 19 19 ALA N N 19 132.226 132.226 128.573 3.653 25694 7089 1 19 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.807 -0.292 25694 7090 1 19 . 1 1 19 19 ALA C C 19 178.060 178.060 176.885 1.175 25694 7091 1 19 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.405 1.095 25694 7092 1 19 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.762 -1.878 25694 7093 1 19 . 1 1 19 19 ALA H H 19 8.843 8.843 8.747 0.096 25694 7094 1 19 . 1 1 20 20 ARG N N 20 125.791 125.791 124.483 1.308 25694 7095 1 19 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.335 -0.498 25694 7096 1 19 . 1 1 20 20 ARG C C 20 178.459 178.459 177.700 0.759 25694 7097 1 19 . 1 1 20 20 ARG CA C 20 58.639 58.639 57.820 0.819 25694 7098 1 19 . 1 1 20 20 ARG CB C 20 28.925 28.925 28.897 0.028 25694 7099 1 19 . 1 1 20 20 ARG H H 20 8.196 8.196 8.132 0.064 25694 7100 1 19 . 1 1 21 21 ALA N N 21 117.396 117.396 120.231 -2.835 25694 7101 1 19 . 1 1 21 21 ALA HA H 21 4.082 4.082 3.989 0.093 25694 7102 1 19 . 1 1 21 21 ALA C C 21 177.745 177.745 177.695 0.050 25694 7103 1 19 . 1 1 21 21 ALA CA C 21 53.809 53.809 54.552 -0.743 25694 7104 1 19 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.427 0.457 25694 7105 1 19 . 1 1 21 21 ALA H H 21 8.309 8.309 8.267 0.042 25694 7106 1 19 . 1 1 22 22 ASN N N 22 113.201 113.201 112.232 0.969 25694 7107 1 19 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.727 0.247 25694 7108 1 19 . 1 1 22 22 ASN C C 22 174.999 174.999 173.884 1.115 25694 7109 1 19 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.791 -0.201 25694 7110 1 19 . 1 1 22 22 ASN CB C 22 39.900 39.900 40.206 -0.306 25694 7111 1 19 . 1 1 22 22 ASN H H 22 7.796 7.796 7.909 -0.113 25694 7112 1 19 . 1 1 23 23 VAL N N 23 117.829 117.829 114.176 3.653 25694 7113 1 19 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.867 -0.379 25694 7114 1 19 . 1 1 23 23 VAL C C 23 174.393 174.393 175.495 -1.102 25694 7115 1 19 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.226 2.024 25694 7116 1 19 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.578 -0.878 25694 7117 1 19 . 1 1 23 23 VAL H H 23 7.477 7.477 7.308 0.169 25694 7118 1 19 . 1 1 24 24 LYS N N 24 123.962 123.962 124.228 -0.266 25694 7119 1 19 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.324 0.156 25694 7120 1 19 . 1 1 24 24 LYS C C 24 175.090 175.090 176.641 -1.551 25694 7121 1 19 . 1 1 24 24 LYS CA C 24 56.104 56.104 57.219 -1.115 25694 7122 1 19 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.209 2.187 25694 7123 1 19 . 1 1 24 24 LYS H H 24 9.276 9.276 8.849 0.427 25694 7124 1 19 . 1 1 25 25 HIS N N 25 115.921 115.921 119.731 -3.810 25694 7125 1 19 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.887 -0.184 25694 7126 1 19 . 1 1 25 25 HIS C C 25 173.364 173.364 172.659 0.705 25694 7127 1 19 . 1 1 25 25 HIS CA C 25 55.781 55.781 55.428 0.352 25694 7128 1 19 . 1 1 25 25 HIS CB C 25 32.161 32.161 31.995 0.166 25694 7129 1 19 . 1 1 25 25 HIS H H 25 7.964 7.964 7.619 0.345 25694 7130 1 19 . 1 1 26 26 LEU N N 26 122.215 122.215 125.402 -3.187 25694 7131 1 19 . 1 1 26 26 LEU HA H 26 4.968 4.968 4.903 0.065 25694 7132 1 19 . 1 1 26 26 LEU C C 26 175.720 175.720 174.627 1.093 25694 7133 1 19 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.228 2.229 25694 7134 1 19 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.771 -0.177 25694 7135 1 19 . 1 1 26 26 LEU H H 26 8.076 8.076 8.371 -0.295 25694 7136 1 19 . 1 1 27 27 LYS N N 27 122.738 122.738 121.302 1.436 25694 7137 1 19 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.678 0.091 25694 7138 1 19 . 1 1 27 27 LYS C C 27 173.953 173.953 174.756 -0.803 25694 7139 1 19 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.217 0.913 25694 7140 1 19 . 1 1 27 27 LYS CB C 27 36.300 36.300 36.037 0.263 25694 7141 1 19 . 1 1 27 27 LYS H H 27 9.113 9.113 8.864 0.249 25694 7142 1 19 . 1 1 28 28 ILE N N 28 122.212 122.212 122.572 -0.360 25694 7143 1 19 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.813 -0.037 25694 7144 1 19 . 1 1 28 28 ILE C C 28 175.895 175.895 176.250 -0.355 25694 7145 1 19 . 1 1 28 28 ILE CA C 28 60.200 60.200 60.821 -0.621 25694 7146 1 19 . 1 1 28 28 ILE CB C 28 39.200 39.200 38.860 0.340 25694 7147 1 19 . 1 1 28 28 ILE H H 28 8.535 8.535 8.594 -0.059 25694 7148 1 19 . 1 1 29 29 LEU N N 29 128.977 128.977 131.657 -2.680 25694 7149 1 19 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.719 -0.004 25694 7150 1 19 . 1 1 29 29 LEU C C 29 175.438 175.438 174.569 0.869 25694 7151 1 19 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.086 1.014 25694 7152 1 19 . 1 1 29 29 LEU CB C 29 44.132 44.132 41.489 2.643 25694 7153 1 19 . 1 1 29 29 LEU H H 29 9.137 9.137 8.625 0.512 25694 7154 1 19 . 1 1 30 30 ASN N N 30 124.331 124.331 120.986 3.345 25694 7155 1 19 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.925 0.220 25694 7156 1 19 . 1 1 30 30 ASN C C 30 174.335 174.335 174.736 -0.401 25694 7157 1 19 . 1 1 30 30 ASN CA C 30 52.413 52.413 50.861 1.552 25694 7158 1 19 . 1 1 30 30 ASN CB C 30 39.600 39.600 37.706 1.894 25694 7159 1 19 . 1 1 30 30 ASN H H 30 8.824 8.824 8.062 0.762 25694 7160 1 19 . 1 1 31 31 THR N N 31 118.685 118.685 114.460 4.225 25694 7161 1 19 . 1 1 31 31 THR HA H 31 4.796 4.796 4.804 -0.008 25694 7162 1 19 . 1 1 31 31 THR CA C 31 59.600 59.600 59.502 0.098 25694 7163 1 19 . 1 1 31 31 THR CB C 31 70.459 70.459 69.450 1.009 25694 7164 1 19 . 1 1 31 31 THR H H 31 8.456 8.456 7.713 0.743 25694 7165 1 19 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.341 -0.051 25694 7166 1 19 . 1 1 32 32 PRO C C 32 177.197 177.197 177.080 0.117 25694 7167 1 19 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.805 0.036 25694 7168 1 19 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.746 0.424 25694 7169 1 19 . 1 1 33 33 ASN N N 33 112.484 112.484 113.129 -0.645 25694 7170 1 19 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.700 -0.218 25694 7171 1 19 . 1 1 33 33 ASN C C 33 174.526 174.526 174.334 0.192 25694 7172 1 19 . 1 1 33 33 ASN CA C 33 54.945 54.945 53.659 1.286 25694 7173 1 19 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.605 0.027 25694 7174 1 19 . 1 1 33 33 ASN H H 33 8.470 8.470 8.457 0.013 25694 7175 1 19 . 1 1 34 34 CYS N N 34 116.720 116.720 116.196 0.524 25694 7176 1 19 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.609 0.318 25694 7177 1 19 . 1 1 34 34 CYS C C 34 173.762 173.762 172.756 1.006 25694 7178 1 19 . 1 1 34 34 CYS CA C 34 54.810 54.810 57.161 -2.351 25694 7179 1 19 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.470 14.630 25694 7180 1 19 . 1 1 34 34 CYS H H 34 7.663 7.663 7.465 0.198 25694 7181 1 19 . 1 1 35 35 ALA N N 35 125.254 125.254 122.333 2.921 25694 7182 1 19 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.481 -0.184 25694 7183 1 19 . 1 1 35 35 ALA C C 35 176.882 176.882 176.342 0.540 25694 7184 1 19 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.510 0.903 25694 7185 1 19 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.011 -1.043 25694 7186 1 19 . 1 1 35 35 ALA H H 35 8.449 8.449 8.282 0.167 25694 7187 1 19 . 1 1 36 36 LEU N N 36 122.078 122.078 119.832 2.246 25694 7188 1 19 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.879 -0.478 25694 7189 1 19 . 1 1 36 36 LEU C C 36 176.442 176.442 175.796 0.646 25694 7190 1 19 . 1 1 36 36 LEU CA C 36 56.751 56.751 53.904 2.847 25694 7191 1 19 . 1 1 36 36 LEU CB C 36 42.465 42.465 41.620 0.845 25694 7192 1 19 . 1 1 36 36 LEU H H 36 8.073 8.073 8.191 -0.118 25694 7193 1 19 . 1 1 37 37 GLN N N 37 121.790 121.790 126.900 -5.110 25694 7194 1 19 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.792 -0.044 25694 7195 1 19 . 1 1 37 37 GLN C C 37 173.804 173.804 174.494 -0.690 25694 7196 1 19 . 1 1 37 37 GLN CA C 37 54.400 54.400 53.998 0.402 25694 7197 1 19 . 1 1 37 37 GLN CB C 37 32.463 32.463 33.017 -0.554 25694 7198 1 19 . 1 1 37 37 GLN H H 37 8.397 8.397 9.040 -0.643 25694 7199 1 19 . 1 1 38 38 ILE N N 38 123.702 123.702 121.626 2.076 25694 7200 1 19 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.615 0.130 25694 7201 1 19 . 1 1 38 38 ILE C C 38 174.808 174.808 175.404 -0.596 25694 7202 1 19 . 1 1 38 38 ILE CA C 38 60.950 60.950 59.020 1.930 25694 7203 1 19 . 1 1 38 38 ILE CB C 38 39.600 39.600 39.086 0.514 25694 7204 1 19 . 1 1 38 38 ILE H H 38 9.213 9.213 8.845 0.368 25694 7205 1 19 . 1 1 39 39 VAL N N 39 125.930 125.930 127.574 -1.644 25694 7206 1 19 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.732 0.284 25694 7207 1 19 . 1 1 39 39 VAL C C 39 174.741 174.741 173.873 0.868 25694 7208 1 19 . 1 1 39 39 VAL CA C 39 60.950 60.950 60.901 0.049 25694 7209 1 19 . 1 1 39 39 VAL CB C 39 34.426 34.426 34.523 -0.097 25694 7210 1 19 . 1 1 39 39 VAL H H 39 9.056 9.056 8.357 0.699 25694 7211 1 19 . 1 1 40 40 ALA N N 40 127.551 127.551 129.347 -1.796 25694 7212 1 19 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.153 0.179 25694 7213 1 19 . 1 1 40 40 ALA C C 40 175.948 175.948 175.152 0.796 25694 7214 1 19 . 1 1 40 40 ALA CA C 40 50.280 50.280 50.327 -0.047 25694 7215 1 19 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.551 0.512 25694 7216 1 19 . 1 1 40 40 ALA H H 40 9.335 9.335 9.435 -0.100 25694 7217 1 19 . 1 1 41 41 ARG N N 41 118.658 118.658 120.948 -2.290 25694 7218 1 19 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.331 -0.112 25694 7219 1 19 . 1 1 41 41 ARG C C 41 176.310 176.310 175.383 0.927 25694 7220 1 19 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.394 0.706 25694 7221 1 19 . 1 1 41 41 ARG CB C 41 32.428 32.428 32.229 0.199 25694 7222 1 19 . 1 1 41 41 ARG H H 41 8.511 8.511 9.005 -0.494 25694 7223 1 19 . 1 1 42 42 LEU N N 42 125.307 125.307 127.109 -1.802 25694 7224 1 19 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.783 0.143 25694 7225 1 19 . 1 1 42 42 LEU C C 42 178.475 178.475 177.162 1.313 25694 7226 1 19 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.411 -1.082 25694 7227 1 19 . 1 1 42 42 LEU CB C 42 41.497 41.497 43.473 -1.976 25694 7228 1 19 . 1 1 42 42 LEU H H 42 9.038 9.038 9.111 -0.073 25694 7229 1 19 . 1 1 43 43 LYS N N 43 120.597 120.597 126.847 -6.250 25694 7230 1 19 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.951 -0.118 25694 7231 1 19 . 1 1 43 43 LYS C C 43 178.342 178.342 178.290 0.052 25694 7232 1 19 . 1 1 43 43 LYS CA C 43 59.340 59.340 59.656 -0.316 25694 7233 1 19 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.298 1.147 25694 7234 1 19 . 1 1 43 43 LYS H H 43 8.480 8.480 8.940 -0.460 25694 7235 1 19 . 1 1 44 44 ASN N N 44 114.812 114.812 116.965 -2.153 25694 7236 1 19 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.513 -0.037 25694 7237 1 19 . 1 1 44 44 ASN C C 44 176.032 176.032 176.198 -0.166 25694 7238 1 19 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.309 0.471 25694 7239 1 19 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.850 -0.343 25694 7240 1 19 . 1 1 44 44 ASN H H 44 8.725 8.725 8.520 0.205 25694 7241 1 19 . 1 1 45 45 ASN N N 45 115.093 115.093 118.183 -3.090 25694 7242 1 19 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.602 0.136 25694 7243 1 19 . 1 1 45 45 ASN C C 45 175.513 175.513 174.857 0.656 25694 7244 1 19 . 1 1 45 45 ASN CA C 45 52.769 52.769 53.329 -0.560 25694 7245 1 19 . 1 1 45 45 ASN CB C 45 39.211 39.211 39.300 -0.089 25694 7246 1 19 . 1 1 45 45 ASN H H 45 7.519 7.519 8.137 -0.618 25694 7247 1 19 . 1 1 46 46 ASN N N 46 116.121 116.121 118.086 -1.965 25694 7248 1 19 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.608 0.061 25694 7249 1 19 . 1 1 46 46 ASN C C 46 174.816 174.816 174.013 0.803 25694 7250 1 19 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.194 0.606 25694 7251 1 19 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.292 1.987 25694 7252 1 19 . 1 1 46 46 ASN H H 46 8.033 8.033 7.924 0.109 25694 7253 1 19 . 1 1 47 47 ARG N N 47 119.917 119.917 122.353 -2.436 25694 7254 1 19 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.551 -0.298 25694 7255 1 19 . 1 1 47 47 ARG C C 47 175.845 175.845 174.030 1.815 25694 7256 1 19 . 1 1 47 47 ARG CA C 47 57.084 57.084 54.739 2.345 25694 7257 1 19 . 1 1 47 47 ARG CB C 47 31.785 31.785 34.158 -2.373 25694 7258 1 19 . 1 1 47 47 ARG H H 47 7.981 7.981 7.917 0.064 25694 7259 1 19 . 1 1 48 48 GLN N N 48 123.497 123.497 124.405 -0.908 25694 7260 1 19 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.592 -0.350 25694 7261 1 19 . 1 1 48 48 GLN C C 48 175.629 175.629 174.592 1.037 25694 7262 1 19 . 1 1 48 48 GLN CA C 48 55.780 55.780 54.715 1.065 25694 7263 1 19 . 1 1 48 48 GLN CB C 48 31.190 31.190 31.402 -0.212 25694 7264 1 19 . 1 1 48 48 GLN H H 48 8.737 8.737 8.549 0.188 25694 7265 1 19 . 1 1 49 49 VAL N N 49 119.819 119.819 125.129 -5.310 25694 7266 1 19 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.578 0.195 25694 7267 1 19 . 1 1 49 49 VAL C C 49 174.235 174.235 173.283 0.952 25694 7268 1 19 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.333 -1.067 25694 7269 1 19 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.334 -0.334 25694 7270 1 19 . 1 1 49 49 VAL H H 49 9.150 9.150 9.134 0.016 25694 7271 1 19 . 1 1 50 50 CYS N N 50 120.721 120.721 124.355 -3.634 25694 7272 1 19 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.420 0.233 25694 7273 1 19 . 1 1 50 50 CYS C C 50 174.078 174.078 175.268 -1.190 25694 7274 1 19 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.696 -1.268 25694 7275 1 19 . 1 1 50 50 CYS CB C 50 45.270 45.270 27.190 18.080 25694 7276 1 19 . 1 1 50 50 CYS H H 50 8.854 8.854 8.667 0.187 25694 7277 1 19 . 1 1 51 51 ILE N N 51 124.038 124.038 123.906 0.132 25694 7278 1 19 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.286 0.224 25694 7279 1 19 . 1 1 51 51 ILE C C 51 174.775 174.775 174.936 -0.161 25694 7280 1 19 . 1 1 51 51 ILE CA C 51 59.300 59.300 61.126 -1.826 25694 7281 1 19 . 1 1 51 51 ILE CB C 51 39.603 39.603 39.422 0.180 25694 7282 1 19 . 1 1 51 51 ILE H H 51 8.934 8.934 8.376 0.558 25694 7283 1 19 . 1 1 52 52 ASP N N 52 127.393 127.393 126.410 0.983 25694 7284 1 19 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.367 -0.622 25694 7285 1 19 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.343 0.547 25694 7286 1 19 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.181 0.981 25694 7287 1 19 . 1 1 52 52 ASP H H 52 8.098 8.098 7.972 0.126 25694 7288 1 19 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.148 -0.063 25694 7289 1 19 . 1 1 53 53 PRO C C 53 176.500 176.500 175.644 0.856 25694 7290 1 19 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.596 0.914 25694 7291 1 19 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.463 0.809 25694 7292 1 19 . 1 1 54 54 LYS N N 54 116.899 116.899 116.257 0.642 25694 7293 1 19 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.313 -0.108 25694 7294 1 19 . 1 1 54 54 LYS C C 54 176.791 176.791 176.937 -0.146 25694 7295 1 19 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.927 -0.227 25694 7296 1 19 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.185 -1.385 25694 7297 1 19 . 1 1 54 54 LYS H H 54 8.129 8.129 7.271 0.858 25694 7298 1 19 . 1 1 55 55 CYS N N 55 119.988 119.988 120.237 -0.249 25694 7299 1 19 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.291 0.106 25694 7300 1 19 . 1 1 55 55 CYS CA C 55 57.075 57.075 58.169 -1.094 25694 7301 1 19 . 1 1 55 55 CYS CB C 55 41.544 41.544 27.644 13.900 25694 7302 1 19 . 1 1 55 55 CYS H H 55 7.989 7.989 7.554 0.435 25694 7303 1 19 . 1 1 56 56 LYS HA H 56 4.127 4.127 3.958 0.169 25694 7304 1 19 . 1 1 56 56 LYS C C 56 178.326 178.326 178.152 0.174 25694 7305 1 19 . 1 1 56 56 LYS CA C 56 60.600 60.600 59.785 0.815 25694 7306 1 19 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.645 0.155 25694 7307 1 19 . 1 1 57 57 TRP N N 57 114.860 114.860 115.365 -0.505 25694 7308 1 19 . 1 1 57 57 TRP HA H 57 4.905 4.905 5.082 -0.177 25694 7309 1 19 . 1 1 57 57 TRP C C 57 177.803 177.803 177.422 0.381 25694 7310 1 19 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.441 -1.201 25694 7311 1 19 . 1 1 57 57 TRP CB C 57 28.925 28.925 28.024 0.901 25694 7312 1 19 . 1 1 57 57 TRP H H 57 7.274 7.274 8.052 -0.778 25694 7313 1 19 . 1 1 58 58 CYS N N 58 121.960 121.960 118.718 3.242 25694 7314 1 19 . 1 1 58 58 CYS HA H 58 3.917 3.917 4.072 -0.155 25694 7315 1 19 . 1 1 58 58 CYS C C 58 175.480 175.480 177.431 -1.951 25694 7316 1 19 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.722 4.113 25694 7317 1 19 . 1 1 58 58 CYS CB C 58 36.367 36.367 26.147 10.220 25694 7318 1 19 . 1 1 58 58 CYS H H 58 7.780 7.780 7.135 0.645 25694 7319 1 19 . 1 1 59 59 GLN N N 59 119.203 119.203 119.861 -0.658 25694 7320 1 19 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.952 -0.005 25694 7321 1 19 . 1 1 59 59 GLN C C 59 178.152 178.152 178.644 -0.492 25694 7322 1 19 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.516 1.147 25694 7323 1 19 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.743 0.229 25694 7324 1 19 . 1 1 59 59 GLN H H 59 8.073 8.073 7.951 0.122 25694 7325 1 19 . 1 1 60 60 GLU N N 60 118.831 118.831 120.177 -1.346 25694 7326 1 19 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.075 0.046 25694 7327 1 19 . 1 1 60 60 GLU C C 60 178.367 178.367 178.940 -0.573 25694 7328 1 19 . 1 1 60 60 GLU CA C 60 59.340 59.340 59.205 0.135 25694 7329 1 19 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.859 0.037 25694 7330 1 19 . 1 1 60 60 GLU H H 60 8.085 8.085 7.638 0.447 25694 7331 1 19 . 1 1 61 61 TYR N N 61 118.802 118.802 120.177 -1.375 25694 7332 1 19 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.250 0.080 25694 7333 1 19 . 1 1 61 61 TYR C C 61 177.629 177.629 177.157 0.472 25694 7334 1 19 . 1 1 61 61 TYR CA C 61 61.281 61.281 60.913 0.368 25694 7335 1 19 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.318 0.638 25694 7336 1 19 . 1 1 61 61 TYR H H 61 7.666 7.666 8.573 -0.907 25694 7337 1 19 . 1 1 62 62 LEU N N 62 119.351 119.351 119.695 -0.344 25694 7338 1 19 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.110 0.757 25694 7339 1 19 . 1 1 62 62 LEU C C 62 178.724 178.724 179.199 -0.475 25694 7340 1 19 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.531 0.089 25694 7341 1 19 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.125 1.065 25694 7342 1 19 . 1 1 62 62 LEU H H 62 8.275 8.275 7.599 0.676 25694 7343 1 19 . 1 1 63 63 GLU N N 63 118.049 118.049 117.759 0.290 25694 7344 1 19 . 1 1 63 63 GLU HA H 63 3.997 3.997 3.963 0.034 25694 7345 1 19 . 1 1 63 63 GLU C C 63 178.649 178.649 178.438 0.211 25694 7346 1 19 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.784 0.359 25694 7347 1 19 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.174 0.722 25694 7348 1 19 . 1 1 63 63 GLU H H 63 8.066 8.066 7.626 0.440 25694 7349 1 19 . 1 1 64 64 LYS N N 64 117.297 117.297 117.650 -0.353 25694 7350 1 19 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.290 -0.062 25694 7351 1 19 . 1 1 64 64 LYS C C 64 178.085 178.085 178.928 -0.843 25694 7352 1 19 . 1 1 64 64 LYS CA C 64 57.820 57.820 57.951 -0.131 25694 7353 1 19 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.647 0.161 25694 7354 1 19 . 1 1 64 64 LYS H H 64 7.572 7.572 7.431 0.141 25694 7355 1 19 . 1 1 65 65 ALA N N 65 121.570 121.570 123.063 -1.493 25694 7356 1 19 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.390 -0.216 25694 7357 1 19 . 1 1 65 65 ALA C C 65 178.707 178.707 179.291 -0.584 25694 7358 1 19 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.200 -0.400 25694 7359 1 19 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.381 1.153 25694 7360 1 19 . 1 1 65 65 ALA H H 65 7.964 7.964 8.419 -0.455 25694 7361 1 19 . 1 1 66 66 LEU N N 66 117.399 117.399 117.998 -0.599 25694 7362 1 19 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.982 0.343 25694 7363 1 19 . 1 1 66 66 LEU C C 66 177.264 177.264 177.871 -0.607 25694 7364 1 19 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.830 -1.373 25694 7365 1 19 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.376 1.124 25694 7366 1 19 . 1 1 66 66 LEU H H 66 7.888 7.888 7.732 0.156 25694 7367 1 19 . 1 1 67 67 ASN N N 67 118.846 118.846 115.897 2.949 25694 7368 1 19 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.815 -0.045 25694 7369 1 19 . 1 1 67 67 ASN C C 67 174.094 174.094 174.506 -0.412 25694 7370 1 19 . 1 1 67 67 ASN CA C 67 53.434 53.434 52.779 0.655 25694 7371 1 19 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.330 -0.051 25694 7372 1 19 . 1 1 67 67 ASN H H 67 7.959 7.959 7.601 0.358 25694 7373 1 20 . 1 1 0 0 MET HA H 0 4.501 4.501 4.674 -0.173 25694 7374 1 20 . 1 1 0 0 MET C C 0 176.102 176.102 175.428 0.674 25694 7375 1 20 . 1 1 0 0 MET CA C 0 55.781 55.781 54.479 1.302 25694 7376 1 20 . 1 1 0 0 MET CB C 0 33.455 33.455 32.822 0.634 25694 7377 1 20 . 1 1 1 1 LYS N N 1 124.708 124.708 124.743 -0.035 25694 7378 1 20 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.699 -0.061 25694 7379 1 20 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.429 0.057 25694 7380 1 20 . 1 1 1 1 LYS CB C 1 32.808 32.808 32.790 0.018 25694 7381 1 20 . 1 1 1 1 LYS H H 1 8.503 8.503 8.256 0.247 25694 7382 1 20 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.578 -0.094 25694 7383 1 20 . 1 1 2 2 PRO C C 2 177.031 177.031 176.779 0.252 25694 7384 1 20 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.545 0.655 25694 7385 1 20 . 1 1 2 2 PRO CB C 2 32.161 32.161 32.581 -0.420 25694 7386 1 20 . 1 1 3 3 VAL N N 3 120.641 120.641 120.764 -0.123 25694 7387 1 20 . 1 1 3 3 VAL HA H 3 4.119 4.119 4.154 -0.035 25694 7388 1 20 . 1 1 3 3 VAL C C 3 176.393 176.393 175.892 0.501 25694 7389 1 20 . 1 1 3 3 VAL CA C 3 62.495 62.495 62.562 -0.068 25694 7390 1 20 . 1 1 3 3 VAL CB C 3 33.100 33.100 31.669 1.431 25694 7391 1 20 . 1 1 3 3 VAL H H 3 8.290 8.290 8.351 -0.061 25694 7392 1 20 . 1 1 4 4 SER N N 4 119.097 119.097 125.299 -6.202 25694 7393 1 20 . 1 1 4 4 SER HA H 4 4.470 4.470 4.612 -0.142 25694 7394 1 20 . 1 1 4 4 SER C C 4 174.617 174.617 174.162 0.455 25694 7395 1 20 . 1 1 4 4 SER CA C 4 58.369 58.369 58.288 0.080 25694 7396 1 20 . 1 1 4 4 SER CB C 4 64.187 64.187 62.384 1.803 25694 7397 1 20 . 1 1 4 4 SER H H 4 8.349 8.349 8.752 -0.403 25694 7398 1 20 . 1 1 5 5 LEU N N 5 124.723 124.723 123.724 0.999 25694 7399 1 20 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.492 -0.112 25694 7400 1 20 . 1 1 5 5 LEU C C 5 177.355 177.355 177.650 -0.295 25694 7401 1 20 . 1 1 5 5 LEU CA C 5 55.388 55.388 55.953 -0.565 25694 7402 1 20 . 1 1 5 5 LEU CB C 5 42.515 42.515 42.684 -0.169 25694 7403 1 20 . 1 1 5 5 LEU H H 5 8.339 8.339 7.751 0.588 25694 7404 1 20 . 1 1 6 6 SER N N 6 115.926 115.926 115.476 0.450 25694 7405 1 20 . 1 1 6 6 SER HA H 6 4.414 4.414 4.621 -0.207 25694 7406 1 20 . 1 1 6 6 SER C C 6 174.235 174.235 174.048 0.187 25694 7407 1 20 . 1 1 6 6 SER CA C 6 58.369 58.369 58.592 -0.223 25694 7408 1 20 . 1 1 6 6 SER CB C 6 64.187 64.187 62.776 1.411 25694 7409 1 20 . 1 1 6 6 SER H H 6 8.199 8.199 8.596 -0.397 25694 7410 1 20 . 1 1 7 7 TYR N N 7 122.124 122.124 121.776 0.348 25694 7411 1 20 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.681 -0.105 25694 7412 1 20 . 1 1 7 7 TYR C C 7 175.530 175.530 174.523 1.007 25694 7413 1 20 . 1 1 7 7 TYR CA C 7 58.008 58.008 56.252 1.756 25694 7414 1 20 . 1 1 7 7 TYR CB C 7 38.969 38.969 39.299 -0.330 25694 7415 1 20 . 1 1 7 7 TYR H H 7 8.049 8.049 7.972 0.077 25694 7416 1 20 . 1 1 8 8 ARG N N 8 121.947 121.947 117.689 4.258 25694 7417 1 20 . 1 1 8 8 ARG HA H 8 4.326 4.326 3.878 0.448 25694 7418 1 20 . 1 1 8 8 ARG C C 8 175.845 175.845 174.687 1.158 25694 7419 1 20 . 1 1 8 8 ARG CA C 8 56.104 56.104 56.299 -0.195 25694 7420 1 20 . 1 1 8 8 ARG CB C 8 31.100 31.100 29.181 1.919 25694 7421 1 20 . 1 1 8 8 ARG H H 8 8.177 8.177 7.955 0.222 25694 7422 1 20 . 1 1 9 9 CYS N N 9 120.943 120.943 120.559 0.384 25694 7423 1 20 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.463 0.491 25694 7424 1 20 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.607 -3.480 25694 7425 1 20 . 1 1 9 9 CYS CB C 9 40.218 40.218 27.840 12.378 25694 7426 1 20 . 1 1 9 9 CYS H H 9 8.173 8.173 8.466 -0.293 25694 7427 1 20 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.362 -0.010 25694 7428 1 20 . 1 1 10 10 PRO C C 10 177.347 177.347 176.243 1.104 25694 7429 1 20 . 1 1 10 10 PRO CA C 10 64.859 64.859 64.223 0.636 25694 7430 1 20 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.055 0.453 25694 7431 1 20 . 1 1 11 11 CYS N N 11 114.096 114.096 114.587 -0.491 25694 7432 1 20 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.746 -0.021 25694 7433 1 20 . 1 1 11 11 CYS CA C 11 53.429 53.429 57.058 -3.629 25694 7434 1 20 . 1 1 11 11 CYS CB C 11 39.279 39.279 30.897 8.382 25694 7435 1 20 . 1 1 11 11 CYS H H 11 8.232 8.232 7.770 0.462 25694 7436 1 20 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.005 0.064 25694 7437 1 20 . 1 1 12 12 ARG C C 12 175.106 175.106 174.359 0.747 25694 7438 1 20 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.607 0.393 25694 7439 1 20 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.124 1.376 25694 7440 1 20 . 1 1 13 13 PHE N N 13 116.259 116.259 118.042 -1.783 25694 7441 1 20 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.027 0.603 25694 7442 1 20 . 1 1 13 13 PHE C C 13 174.227 174.227 173.820 0.407 25694 7443 1 20 . 1 1 13 13 PHE CA C 13 55.971 55.971 55.591 0.380 25694 7444 1 20 . 1 1 13 13 PHE CB C 13 41.059 41.059 41.536 -0.477 25694 7445 1 20 . 1 1 13 13 PHE H H 13 7.572 7.572 7.141 0.431 25694 7446 1 20 . 1 1 14 14 PHE N N 14 119.623 119.623 118.131 1.492 25694 7447 1 20 . 1 1 14 14 PHE HA H 14 4.936 4.936 5.011 -0.075 25694 7448 1 20 . 1 1 14 14 PHE C C 14 175.496 175.496 175.572 -0.076 25694 7449 1 20 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.269 -0.122 25694 7450 1 20 . 1 1 14 14 PHE CB C 14 41.544 41.544 41.905 -0.361 25694 7451 1 20 . 1 1 14 14 PHE H H 14 8.450 8.450 8.388 0.062 25694 7452 1 20 . 1 1 15 15 GLU N N 15 122.147 122.147 121.670 0.477 25694 7453 1 20 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.828 -0.193 25694 7454 1 20 . 1 1 15 15 GLU C C 15 176.990 176.990 175.734 1.256 25694 7455 1 20 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.941 0.840 25694 7456 1 20 . 1 1 15 15 GLU CB C 15 31.109 31.109 32.064 -0.955 25694 7457 1 20 . 1 1 15 15 GLU H H 15 8.956 8.956 9.296 -0.340 25694 7458 1 20 . 1 1 16 16 SER N N 16 119.943 119.943 118.021 1.922 25694 7459 1 20 . 1 1 16 16 SER HA H 16 4.598 4.598 4.660 -0.062 25694 7460 1 20 . 1 1 16 16 SER C C 16 174.385 174.385 174.169 0.216 25694 7461 1 20 . 1 1 16 16 SER CA C 16 59.799 59.799 57.682 2.117 25694 7462 1 20 . 1 1 16 16 SER CB C 16 64.517 64.517 64.993 -0.476 25694 7463 1 20 . 1 1 16 16 SER H H 16 8.943 8.943 8.626 0.317 25694 7464 1 20 . 1 1 17 17 HIS N N 17 119.124 119.124 115.223 3.901 25694 7465 1 20 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.327 0.373 25694 7466 1 20 . 1 1 17 17 HIS C C 17 174.567 174.567 173.895 0.672 25694 7467 1 20 . 1 1 17 17 HIS CA C 17 56.751 56.751 56.881 -0.130 25694 7468 1 20 . 1 1 17 17 HIS CB C 17 29.896 29.896 28.098 1.798 25694 7469 1 20 . 1 1 17 17 HIS H H 17 8.649 8.649 8.523 0.126 25694 7470 1 20 . 1 1 18 18 VAL N N 18 121.960 121.960 120.583 1.377 25694 7471 1 20 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.227 -0.070 25694 7472 1 20 . 1 1 18 18 VAL C C 18 175.140 175.140 175.166 -0.026 25694 7473 1 20 . 1 1 18 18 VAL CA C 18 61.928 61.928 62.243 -0.315 25694 7474 1 20 . 1 1 18 18 VAL CB C 18 33.700 33.700 32.403 1.297 25694 7475 1 20 . 1 1 18 18 VAL H H 18 7.876 7.876 7.799 0.077 25694 7476 1 20 . 1 1 19 19 ALA N N 19 132.226 132.226 129.782 2.444 25694 7477 1 20 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.632 -0.117 25694 7478 1 20 . 1 1 19 19 ALA C C 19 178.060 178.060 177.509 0.551 25694 7479 1 20 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.922 0.578 25694 7480 1 20 . 1 1 19 19 ALA CB C 19 18.884 18.884 19.986 -1.102 25694 7481 1 20 . 1 1 19 19 ALA H H 19 8.843 8.843 8.734 0.109 25694 7482 1 20 . 1 1 20 20 ARG N N 20 125.791 125.791 124.193 1.598 25694 7483 1 20 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.426 -0.589 25694 7484 1 20 . 1 1 20 20 ARG C C 20 178.459 178.459 177.215 1.244 25694 7485 1 20 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.305 0.334 25694 7486 1 20 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.403 -0.478 25694 7487 1 20 . 1 1 20 20 ARG H H 20 8.196 8.196 8.424 -0.228 25694 7488 1 20 . 1 1 21 21 ALA N N 21 117.396 117.396 118.792 -1.396 25694 7489 1 20 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.122 -0.040 25694 7490 1 20 . 1 1 21 21 ALA C C 21 177.745 177.745 177.542 0.203 25694 7491 1 20 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.634 0.175 25694 7492 1 20 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.223 0.661 25694 7493 1 20 . 1 1 21 21 ALA H H 21 8.309 8.309 8.224 0.085 25694 7494 1 20 . 1 1 22 22 ASN N N 22 113.201 113.201 115.659 -2.458 25694 7495 1 20 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.747 0.227 25694 7496 1 20 . 1 1 22 22 ASN C C 22 174.999 174.999 174.060 0.939 25694 7497 1 20 . 1 1 22 22 ASN CA C 22 52.590 52.590 53.152 -0.562 25694 7498 1 20 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.745 0.155 25694 7499 1 20 . 1 1 22 22 ASN H H 22 7.796 7.796 7.631 0.165 25694 7500 1 20 . 1 1 23 23 VAL N N 23 117.829 117.829 113.981 3.848 25694 7501 1 20 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.798 -0.310 25694 7502 1 20 . 1 1 23 23 VAL C C 23 174.393 174.393 175.391 -0.998 25694 7503 1 20 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.181 2.069 25694 7504 1 20 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.493 -0.793 25694 7505 1 20 . 1 1 23 23 VAL H H 23 7.477 7.477 7.283 0.194 25694 7506 1 20 . 1 1 24 24 LYS N N 24 123.962 123.962 123.846 0.116 25694 7507 1 20 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.385 0.095 25694 7508 1 20 . 1 1 24 24 LYS C C 24 175.090 175.090 176.551 -1.461 25694 7509 1 20 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.745 -0.641 25694 7510 1 20 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.365 2.031 25694 7511 1 20 . 1 1 24 24 LYS H H 24 9.276 9.276 8.645 0.631 25694 7512 1 20 . 1 1 25 25 HIS N N 25 115.921 115.921 118.961 -3.040 25694 7513 1 20 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.763 -0.060 25694 7514 1 20 . 1 1 25 25 HIS C C 25 173.364 173.364 172.401 0.963 25694 7515 1 20 . 1 1 25 25 HIS CA C 25 55.781 55.781 55.507 0.274 25694 7516 1 20 . 1 1 25 25 HIS CB C 25 32.161 32.161 33.097 -0.936 25694 7517 1 20 . 1 1 25 25 HIS H H 25 7.964 7.964 7.665 0.299 25694 7518 1 20 . 1 1 26 26 LEU N N 26 122.215 122.215 125.527 -3.312 25694 7519 1 20 . 1 1 26 26 LEU HA H 26 4.968 4.968 4.784 0.184 25694 7520 1 20 . 1 1 26 26 LEU C C 26 175.720 175.720 174.685 1.035 25694 7521 1 20 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.611 1.847 25694 7522 1 20 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.102 0.492 25694 7523 1 20 . 1 1 26 26 LEU H H 26 8.076 8.076 8.512 -0.436 25694 7524 1 20 . 1 1 27 27 LYS N N 27 122.738 122.738 122.495 0.243 25694 7525 1 20 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.764 0.005 25694 7526 1 20 . 1 1 27 27 LYS C C 27 173.953 173.953 175.071 -1.118 25694 7527 1 20 . 1 1 27 27 LYS CA C 27 55.130 55.130 53.715 1.415 25694 7528 1 20 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.368 0.932 25694 7529 1 20 . 1 1 27 27 LYS H H 27 9.113 9.113 9.003 0.110 25694 7530 1 20 . 1 1 28 28 ILE N N 28 122.212 122.212 121.769 0.443 25694 7531 1 20 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.638 0.138 25694 7532 1 20 . 1 1 28 28 ILE C C 28 175.895 175.895 175.797 0.098 25694 7533 1 20 . 1 1 28 28 ILE CA C 28 60.200 60.200 60.949 -0.749 25694 7534 1 20 . 1 1 28 28 ILE CB C 28 39.200 39.200 39.326 -0.126 25694 7535 1 20 . 1 1 28 28 ILE H H 28 8.535 8.535 8.502 0.033 25694 7536 1 20 . 1 1 29 29 LEU N N 29 128.977 128.977 129.528 -0.551 25694 7537 1 20 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.745 -0.030 25694 7538 1 20 . 1 1 29 29 LEU C C 29 175.438 175.438 174.719 0.719 25694 7539 1 20 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.301 0.799 25694 7540 1 20 . 1 1 29 29 LEU CB C 29 44.132 44.132 41.690 2.442 25694 7541 1 20 . 1 1 29 29 LEU H H 29 9.137 9.137 9.188 -0.051 25694 7542 1 20 . 1 1 30 30 ASN N N 30 124.331 124.331 124.497 -0.166 25694 7543 1 20 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.851 0.294 25694 7544 1 20 . 1 1 30 30 ASN C C 30 174.335 174.335 174.426 -0.091 25694 7545 1 20 . 1 1 30 30 ASN CA C 30 52.413 52.413 52.759 -0.346 25694 7546 1 20 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.403 1.197 25694 7547 1 20 . 1 1 30 30 ASN H H 30 8.824 8.824 8.413 0.411 25694 7548 1 20 . 1 1 31 31 THR N N 31 118.685 118.685 115.421 3.264 25694 7549 1 20 . 1 1 31 31 THR HA H 31 4.796 4.796 4.824 -0.028 25694 7550 1 20 . 1 1 31 31 THR CA C 31 59.600 59.600 58.942 0.658 25694 7551 1 20 . 1 1 31 31 THR CB C 31 70.459 70.459 69.662 0.797 25694 7552 1 20 . 1 1 31 31 THR H H 31 8.456 8.456 7.726 0.730 25694 7553 1 20 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.305 -0.015 25694 7554 1 20 . 1 1 32 32 PRO C C 32 177.197 177.197 177.562 -0.365 25694 7555 1 20 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.983 -0.142 25694 7556 1 20 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.987 0.183 25694 7557 1 20 . 1 1 33 33 ASN N N 33 112.484 112.484 116.019 -3.535 25694 7558 1 20 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.627 -0.145 25694 7559 1 20 . 1 1 33 33 ASN C C 33 174.526 174.526 175.523 -0.997 25694 7560 1 20 . 1 1 33 33 ASN CA C 33 54.945 54.945 54.739 0.207 25694 7561 1 20 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.304 0.328 25694 7562 1 20 . 1 1 33 33 ASN H H 33 8.470 8.470 8.206 0.264 25694 7563 1 20 . 1 1 34 34 CYS N N 34 116.720 116.720 118.718 -1.998 25694 7564 1 20 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.437 0.490 25694 7565 1 20 . 1 1 34 34 CYS C C 34 173.762 173.762 173.546 0.216 25694 7566 1 20 . 1 1 34 34 CYS CA C 34 54.810 54.810 58.781 -3.971 25694 7567 1 20 . 1 1 34 34 CYS CB C 34 44.100 44.100 28.391 15.709 25694 7568 1 20 . 1 1 34 34 CYS H H 34 7.663 7.663 7.591 0.072 25694 7569 1 20 . 1 1 35 35 ALA N N 35 125.254 125.254 120.138 5.116 25694 7570 1 20 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.506 -0.209 25694 7571 1 20 . 1 1 35 35 ALA C C 35 176.882 176.882 174.464 2.418 25694 7572 1 20 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.452 0.961 25694 7573 1 20 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.817 -1.849 25694 7574 1 20 . 1 1 35 35 ALA H H 35 8.449 8.449 8.143 0.306 25694 7575 1 20 . 1 1 36 36 LEU N N 36 122.078 122.078 121.353 0.725 25694 7576 1 20 . 1 1 36 36 LEU HA H 36 4.401 4.401 5.416 -1.015 25694 7577 1 20 . 1 1 36 36 LEU C C 36 176.442 176.442 176.021 0.421 25694 7578 1 20 . 1 1 36 36 LEU CA C 36 56.751 56.751 53.939 2.812 25694 7579 1 20 . 1 1 36 36 LEU CB C 36 42.465 42.465 43.045 -0.580 25694 7580 1 20 . 1 1 36 36 LEU H H 36 8.073 8.073 8.443 -0.370 25694 7581 1 20 . 1 1 37 37 GLN N N 37 121.790 121.790 125.164 -3.374 25694 7582 1 20 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.798 -0.050 25694 7583 1 20 . 1 1 37 37 GLN C C 37 173.804 173.804 174.741 -0.937 25694 7584 1 20 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.120 0.280 25694 7585 1 20 . 1 1 37 37 GLN CB C 37 32.463 32.463 33.030 -0.567 25694 7586 1 20 . 1 1 37 37 GLN H H 37 8.397 8.397 9.061 -0.664 25694 7587 1 20 . 1 1 38 38 ILE N N 38 123.702 123.702 123.197 0.505 25694 7588 1 20 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.514 0.231 25694 7589 1 20 . 1 1 38 38 ILE C C 38 174.808 174.808 174.861 -0.053 25694 7590 1 20 . 1 1 38 38 ILE CA C 38 60.950 60.950 59.149 1.801 25694 7591 1 20 . 1 1 38 38 ILE CB C 38 39.600 39.600 37.250 2.350 25694 7592 1 20 . 1 1 38 38 ILE H H 38 9.213 9.213 8.551 0.662 25694 7593 1 20 . 1 1 39 39 VAL N N 39 125.930 125.930 129.251 -3.321 25694 7594 1 20 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.571 0.445 25694 7595 1 20 . 1 1 39 39 VAL C C 39 174.741 174.741 174.177 0.564 25694 7596 1 20 . 1 1 39 39 VAL CA C 39 60.950 60.950 60.882 0.068 25694 7597 1 20 . 1 1 39 39 VAL CB C 39 34.426 34.426 32.072 2.354 25694 7598 1 20 . 1 1 39 39 VAL H H 39 9.056 9.056 8.741 0.315 25694 7599 1 20 . 1 1 40 40 ALA N N 40 127.551 127.551 131.134 -3.583 25694 7600 1 20 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.143 0.189 25694 7601 1 20 . 1 1 40 40 ALA C C 40 175.948 175.948 175.353 0.595 25694 7602 1 20 . 1 1 40 40 ALA CA C 40 50.280 50.280 50.209 0.071 25694 7603 1 20 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.567 0.496 25694 7604 1 20 . 1 1 40 40 ALA H H 40 9.335 9.335 9.395 -0.060 25694 7605 1 20 . 1 1 41 41 ARG N N 41 118.658 118.658 120.458 -1.800 25694 7606 1 20 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.403 -0.184 25694 7607 1 20 . 1 1 41 41 ARG C C 41 176.310 176.310 175.899 0.411 25694 7608 1 20 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.070 1.030 25694 7609 1 20 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.835 0.593 25694 7610 1 20 . 1 1 41 41 ARG H H 41 8.511 8.511 8.899 -0.388 25694 7611 1 20 . 1 1 42 42 LEU N N 42 125.307 125.307 124.851 0.456 25694 7612 1 20 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.628 0.298 25694 7613 1 20 . 1 1 42 42 LEU C C 42 178.475 178.475 178.039 0.436 25694 7614 1 20 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.408 -1.079 25694 7615 1 20 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.212 -0.716 25694 7616 1 20 . 1 1 42 42 LEU H H 42 9.038 9.038 9.080 -0.042 25694 7617 1 20 . 1 1 43 43 LYS N N 43 120.597 120.597 121.377 -0.780 25694 7618 1 20 . 1 1 43 43 LYS HA H 43 3.833 3.833 4.021 -0.188 25694 7619 1 20 . 1 1 43 43 LYS C C 43 178.342 178.342 178.785 -0.443 25694 7620 1 20 . 1 1 43 43 LYS CA C 43 59.340 59.340 60.063 -0.723 25694 7621 1 20 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.556 0.889 25694 7622 1 20 . 1 1 43 43 LYS H H 43 8.480 8.480 8.740 -0.260 25694 7623 1 20 . 1 1 44 44 ASN N N 44 114.812 114.812 116.013 -1.201 25694 7624 1 20 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.582 -0.106 25694 7625 1 20 . 1 1 44 44 ASN C C 44 176.032 176.032 177.003 -0.971 25694 7626 1 20 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.355 0.425 25694 7627 1 20 . 1 1 44 44 ASN CB C 44 37.507 37.507 38.508 -1.001 25694 7628 1 20 . 1 1 44 44 ASN H H 44 8.725 8.725 8.357 0.368 25694 7629 1 20 . 1 1 45 45 ASN N N 45 115.093 115.093 118.121 -3.028 25694 7630 1 20 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.558 0.180 25694 7631 1 20 . 1 1 45 45 ASN C C 45 175.513 175.513 175.362 0.151 25694 7632 1 20 . 1 1 45 45 ASN CA C 45 52.769 52.769 53.274 -0.505 25694 7633 1 20 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.484 0.727 25694 7634 1 20 . 1 1 45 45 ASN H H 45 7.519 7.519 8.414 -0.895 25694 7635 1 20 . 1 1 46 46 ASN N N 46 116.121 116.121 114.186 1.935 25694 7636 1 20 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.633 0.036 25694 7637 1 20 . 1 1 46 46 ASN C C 46 174.816 174.816 173.688 1.128 25694 7638 1 20 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.874 -0.074 25694 7639 1 20 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.316 1.963 25694 7640 1 20 . 1 1 46 46 ASN H H 46 8.033 8.033 8.437 -0.404 25694 7641 1 20 . 1 1 47 47 ARG N N 47 119.917 119.917 116.869 3.048 25694 7642 1 20 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.386 -0.133 25694 7643 1 20 . 1 1 47 47 ARG C C 47 175.845 175.845 175.040 0.805 25694 7644 1 20 . 1 1 47 47 ARG CA C 47 57.084 57.084 55.339 1.745 25694 7645 1 20 . 1 1 47 47 ARG CB C 47 31.785 31.785 31.079 0.706 25694 7646 1 20 . 1 1 47 47 ARG H H 47 7.981 7.981 7.940 0.041 25694 7647 1 20 . 1 1 48 48 GLN N N 48 123.497 123.497 123.182 0.315 25694 7648 1 20 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.185 0.057 25694 7649 1 20 . 1 1 48 48 GLN C C 48 175.629 175.629 175.010 0.619 25694 7650 1 20 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.590 0.190 25694 7651 1 20 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.292 0.898 25694 7652 1 20 . 1 1 48 48 GLN H H 48 8.737 8.737 8.466 0.271 25694 7653 1 20 . 1 1 49 49 VAL N N 49 119.819 119.819 124.730 -4.911 25694 7654 1 20 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.485 0.288 25694 7655 1 20 . 1 1 49 49 VAL C C 49 174.235 174.235 173.403 0.832 25694 7656 1 20 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.698 -1.432 25694 7657 1 20 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.578 -0.578 25694 7658 1 20 . 1 1 49 49 VAL H H 49 9.150 9.150 9.093 0.057 25694 7659 1 20 . 1 1 50 50 CYS N N 50 120.721 120.721 126.590 -5.869 25694 7660 1 20 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.687 -0.034 25694 7661 1 20 . 1 1 50 50 CYS C C 50 174.078 174.078 175.580 -1.502 25694 7662 1 20 . 1 1 50 50 CYS CA C 50 56.428 56.428 58.030 -1.602 25694 7663 1 20 . 1 1 50 50 CYS CB C 50 45.270 45.270 26.946 18.324 25694 7664 1 20 . 1 1 50 50 CYS H H 50 8.854 8.854 8.982 -0.128 25694 7665 1 20 . 1 1 51 51 ILE N N 51 124.038 124.038 124.118 -0.080 25694 7666 1 20 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.765 -0.255 25694 7667 1 20 . 1 1 51 51 ILE C C 51 174.775 174.775 175.315 -0.540 25694 7668 1 20 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.755 -1.455 25694 7669 1 20 . 1 1 51 51 ILE CB C 51 39.603 39.603 39.614 -0.011 25694 7670 1 20 . 1 1 51 51 ILE H H 51 8.934 8.934 9.021 -0.087 25694 7671 1 20 . 1 1 52 52 ASP N N 52 127.393 127.393 124.451 2.942 25694 7672 1 20 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.266 -0.521 25694 7673 1 20 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.796 0.094 25694 7674 1 20 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.416 0.746 25694 7675 1 20 . 1 1 52 52 ASP H H 52 8.098 8.098 8.406 -0.308 25694 7676 1 20 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.238 -0.153 25694 7677 1 20 . 1 1 53 53 PRO C C 53 176.500 176.500 176.380 0.120 25694 7678 1 20 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.117 1.393 25694 7679 1 20 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.383 0.889 25694 7680 1 20 . 1 1 54 54 LYS N N 54 116.899 116.899 116.992 -0.093 25694 7681 1 20 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.315 -0.110 25694 7682 1 20 . 1 1 54 54 LYS C C 54 176.791 176.791 177.239 -0.448 25694 7683 1 20 . 1 1 54 54 LYS CA C 54 55.700 55.700 56.025 -0.325 25694 7684 1 20 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.568 -1.768 25694 7685 1 20 . 1 1 54 54 LYS H H 54 8.129 8.129 7.755 0.374 25694 7686 1 20 . 1 1 55 55 CYS N N 55 119.988 119.988 118.973 1.015 25694 7687 1 20 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.318 0.079 25694 7688 1 20 . 1 1 55 55 CYS CA C 55 57.075 57.075 56.934 0.141 25694 7689 1 20 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.512 13.032 25694 7690 1 20 . 1 1 55 55 CYS H H 55 7.989 7.989 7.502 0.487 25694 7691 1 20 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.068 0.059 25694 7692 1 20 . 1 1 56 56 LYS C C 56 178.326 178.326 178.299 0.027 25694 7693 1 20 . 1 1 56 56 LYS CA C 56 60.600 60.600 59.343 1.257 25694 7694 1 20 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.981 -0.181 25694 7695 1 20 . 1 1 57 57 TRP N N 57 114.860 114.860 116.697 -1.837 25694 7696 1 20 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.775 0.130 25694 7697 1 20 . 1 1 57 57 TRP C C 57 177.803 177.803 177.545 0.258 25694 7698 1 20 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.593 -1.353 25694 7699 1 20 . 1 1 57 57 TRP CB C 57 28.925 28.925 27.723 1.202 25694 7700 1 20 . 1 1 57 57 TRP H H 57 7.274 7.274 8.001 -0.727 25694 7701 1 20 . 1 1 58 58 CYS N N 58 121.960 121.960 117.264 4.696 25694 7702 1 20 . 1 1 58 58 CYS HA H 58 3.917 3.917 4.346 -0.429 25694 7703 1 20 . 1 1 58 58 CYS C C 58 175.480 175.480 177.172 -1.692 25694 7704 1 20 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.538 4.297 25694 7705 1 20 . 1 1 58 58 CYS CB C 58 36.367 36.367 26.142 10.225 25694 7706 1 20 . 1 1 58 58 CYS H H 58 7.780 7.780 7.550 0.231 25694 7707 1 20 . 1 1 59 59 GLN N N 59 119.203 119.203 119.856 -0.653 25694 7708 1 20 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.916 0.031 25694 7709 1 20 . 1 1 59 59 GLN C C 59 178.152 178.152 178.618 -0.466 25694 7710 1 20 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.719 0.944 25694 7711 1 20 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.856 0.116 25694 7712 1 20 . 1 1 59 59 GLN H H 59 8.073 8.073 8.096 -0.023 25694 7713 1 20 . 1 1 60 60 GLU N N 60 118.831 118.831 119.652 -0.821 25694 7714 1 20 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.122 -0.002 25694 7715 1 20 . 1 1 60 60 GLU C C 60 178.367 178.367 178.837 -0.470 25694 7716 1 20 . 1 1 60 60 GLU CA C 60 59.340 59.340 59.074 0.266 25694 7717 1 20 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.512 0.385 25694 7718 1 20 . 1 1 60 60 GLU H H 60 8.085 8.085 7.867 0.218 25694 7719 1 20 . 1 1 61 61 TYR N N 61 118.802 118.802 121.285 -2.483 25694 7720 1 20 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.204 0.126 25694 7721 1 20 . 1 1 61 61 TYR C C 61 177.629 177.629 177.362 0.267 25694 7722 1 20 . 1 1 61 61 TYR CA C 61 61.281 61.281 60.920 0.361 25694 7723 1 20 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.492 0.464 25694 7724 1 20 . 1 1 61 61 TYR H H 61 7.666 7.666 8.214 -0.548 25694 7725 1 20 . 1 1 62 62 LEU N N 62 119.351 119.351 118.419 0.932 25694 7726 1 20 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.198 0.669 25694 7727 1 20 . 1 1 62 62 LEU C C 62 178.724 178.724 179.085 -0.361 25694 7728 1 20 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.860 -0.241 25694 7729 1 20 . 1 1 62 62 LEU CB C 62 42.190 42.190 40.931 1.259 25694 7730 1 20 . 1 1 62 62 LEU H H 62 8.275 8.275 8.488 -0.213 25694 7731 1 20 . 1 1 63 63 GLU N N 63 118.049 118.049 118.307 -0.258 25694 7732 1 20 . 1 1 63 63 GLU HA H 63 3.997 3.997 3.998 -0.001 25694 7733 1 20 . 1 1 63 63 GLU C C 63 178.649 178.649 178.765 -0.116 25694 7734 1 20 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.978 0.165 25694 7735 1 20 . 1 1 63 63 GLU CB C 63 29.896 29.896 28.889 1.007 25694 7736 1 20 . 1 1 63 63 GLU H H 63 8.066 8.066 8.000 0.066 25694 7737 1 20 . 1 1 64 64 LYS N N 64 117.297 117.297 117.786 -0.489 25694 7738 1 20 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.272 -0.044 25694 7739 1 20 . 1 1 64 64 LYS C C 64 178.085 178.085 178.682 -0.597 25694 7740 1 20 . 1 1 64 64 LYS CA C 64 57.820 57.820 57.849 -0.029 25694 7741 1 20 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.375 0.433 25694 7742 1 20 . 1 1 64 64 LYS H H 64 7.572 7.572 7.527 0.045 25694 7743 1 20 . 1 1 65 65 ALA N N 65 121.570 121.570 122.888 -1.318 25694 7744 1 20 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.330 -0.156 25694 7745 1 20 . 1 1 65 65 ALA C C 65 178.707 178.707 178.893 -0.186 25694 7746 1 20 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.477 -0.677 25694 7747 1 20 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.295 1.239 25694 7748 1 20 . 1 1 65 65 ALA H H 65 7.964 7.964 8.054 -0.090 25694 7749 1 20 . 1 1 66 66 LEU N N 66 117.399 117.399 117.829 -0.430 25694 7750 1 20 . 1 1 66 66 LEU HA H 66 4.325 4.325 4.106 0.219 25694 7751 1 20 . 1 1 66 66 LEU C C 66 177.264 177.264 178.010 -0.746 25694 7752 1 20 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.057 -0.600 25694 7753 1 20 . 1 1 66 66 LEU CB C 66 42.500 42.500 40.246 2.254 25694 7754 1 20 . 1 1 66 66 LEU H H 66 7.888 7.888 7.754 0.134 25694 7755 1 20 . 1 1 67 67 ASN N N 67 118.846 118.846 117.768 1.078 25694 7756 1 20 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.590 0.180 25694 7757 1 20 . 1 1 67 67 ASN C C 67 174.094 174.094 175.688 -1.594 25694 7758 1 20 . 1 1 67 67 ASN CA C 67 53.434 53.434 54.771 -1.337 25694 7759 1 20 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.243 0.035 25694 7760 1 20 . 1 1 67 67 ASN H H 67 7.959 7.959 7.904 0.055 25694 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 61 2.801 -0.048 2.824 25694 2 1 1 "Average Difference" HA 68 0.216 0.006 0.217 25694 3 1 1 "Average Difference" C 62 0.785 -0.098 0.786 25694 4 1 1 "Average Difference" CA 68 1.290 -0.131 1.293 25694 5 1 1 "Average Difference" CB 68 3.881 -1.426 3.637 25694 6 1 1 "Average Difference" HN 61 0.356 -0.061 0.353 25694 7 1 2 "Average Difference" N 61 2.393 0.259 2.399 25694 8 1 2 "Average Difference" HA 68 0.261 0.018 0.262 25694 9 1 2 "Average Difference" C 62 0.845 -0.196 0.829 25694 10 1 2 "Average Difference" CA 68 1.405 -0.089 1.413 25694 11 1 2 "Average Difference" CB 68 4.377 -1.560 4.120 25694 12 1 2 "Average Difference" HN 61 0.384 -0.072 0.380 25694 13 1 3 "Average Difference" N 61 2.579 -0.090 2.599 25694 14 1 3 "Average Difference" HA 68 0.237 -0.038 0.236 25694 15 1 3 "Average Difference" C 62 0.839 -0.226 0.815 25694 16 1 3 "Average Difference" CA 68 1.391 -0.190 1.388 25694 17 1 3 "Average Difference" CB 68 4.370 -1.626 4.086 25694 18 1 3 "Average Difference" HN 61 0.372 -0.099 0.361 25694 19 1 4 "Average Difference" N 61 2.647 -0.081 2.667 25694 20 1 4 "Average Difference" HA 68 0.261 -0.028 0.262 25694 21 1 4 "Average Difference" C 62 0.803 -0.132 0.798 25694 22 1 4 "Average Difference" CA 68 1.376 -0.193 1.373 25694 23 1 4 "Average Difference" CB 68 4.354 -1.702 4.037 25694 24 1 4 "Average Difference" HN 61 0.419 -0.187 0.378 25694 25 1 5 "Average Difference" N 61 2.502 0.032 2.523 25694 26 1 5 "Average Difference" HA 68 0.209 -0.018 0.210 25694 27 1 5 "Average Difference" C 62 0.777 -0.159 0.767 25694 28 1 5 "Average Difference" CA 68 1.337 -0.099 1.343 25694 29 1 5 "Average Difference" CB 68 4.214 -1.548 3.949 25694 30 1 5 "Average Difference" HN 61 0.399 -0.102 0.389 25694 31 1 6 "Average Difference" N 61 2.631 -0.348 2.629 25694 32 1 6 "Average Difference" HA 68 0.227 0.003 0.229 25694 33 1 6 "Average Difference" C 62 0.755 -0.086 0.756 25694 34 1 6 "Average Difference" CA 68 1.350 -0.082 1.357 25694 35 1 6 "Average Difference" CB 68 4.157 -1.626 3.854 25694 36 1 6 "Average Difference" HN 61 0.357 -0.088 0.349 25694 37 1 7 "Average Difference" N 61 2.506 0.216 2.517 25694 38 1 7 "Average Difference" HA 68 0.205 0.024 0.205 25694 39 1 7 "Average Difference" C 62 0.765 -0.127 0.760 25694 40 1 7 "Average Difference" CA 68 1.301 -0.192 1.296 25694 41 1 7 "Average Difference" CB 68 4.039 -1.507 3.775 25694 42 1 7 "Average Difference" HN 61 0.367 -0.080 0.362 25694 43 1 8 "Average Difference" N 61 2.395 -0.076 2.414 25694 44 1 8 "Average Difference" HA 68 0.245 -0.006 0.247 25694 45 1 8 "Average Difference" C 62 0.746 -0.110 0.744 25694 46 1 8 "Average Difference" CA 68 1.228 -0.126 1.231 25694 47 1 8 "Average Difference" CB 68 4.096 -1.626 3.787 25694 48 1 8 "Average Difference" HN 61 0.334 -0.066 0.330 25694 49 1 9 "Average Difference" N 61 2.387 0.178 2.400 25694 50 1 9 "Average Difference" HA 68 0.254 -0.008 0.256 25694 51 1 9 "Average Difference" C 62 0.844 -0.214 0.823 25694 52 1 9 "Average Difference" CA 68 1.374 -0.220 1.366 25694 53 1 9 "Average Difference" CB 68 4.128 -1.487 3.879 25694 54 1 9 "Average Difference" HN 61 0.355 -0.065 0.352 25694 55 1 10 "Average Difference" N 61 2.361 -0.029 2.380 25694 56 1 10 "Average Difference" HA 68 0.238 0.018 0.239 25694 57 1 10 "Average Difference" C 62 0.866 -0.277 0.828 25694 58 1 10 "Average Difference" CA 68 1.327 -0.232 1.317 25694 59 1 10 "Average Difference" CB 68 4.154 -1.497 3.904 25694 60 1 10 "Average Difference" HN 61 0.397 -0.105 0.386 25694 61 1 11 "Average Difference" N 61 2.567 -0.115 2.586 25694 62 1 11 "Average Difference" HA 68 0.247 0.008 0.249 25694 63 1 11 "Average Difference" C 62 0.901 -0.214 0.882 25694 64 1 11 "Average Difference" CA 68 1.465 -0.146 1.468 25694 65 1 11 "Average Difference" CB 68 4.099 -1.413 3.876 25694 66 1 11 "Average Difference" HN 61 0.390 -0.078 0.385 25694 67 1 12 "Average Difference" N 61 2.490 0.005 2.511 25694 68 1 12 "Average Difference" HA 68 0.269 -0.001 0.271 25694 69 1 12 "Average Difference" C 62 0.851 -0.159 0.843 25694 70 1 12 "Average Difference" CA 68 1.387 -0.142 1.390 25694 71 1 12 "Average Difference" CB 68 3.959 -1.522 3.682 25694 72 1 12 "Average Difference" HN 61 0.403 -0.082 0.397 25694 73 1 13 "Average Difference" N 61 2.982 0.143 3.003 25694 74 1 13 "Average Difference" HA 68 0.247 -0.029 0.247 25694 75 1 13 "Average Difference" C 62 0.883 -0.242 0.857 25694 76 1 13 "Average Difference" CA 68 1.456 -0.171 1.456 25694 77 1 13 "Average Difference" CB 68 4.381 -1.592 4.112 25694 78 1 13 "Average Difference" HN 61 0.355 -0.135 0.331 25694 79 1 14 "Average Difference" N 61 2.360 0.225 2.369 25694 80 1 14 "Average Difference" HA 68 0.224 -0.035 0.223 25694 81 1 14 "Average Difference" C 62 0.779 -0.188 0.762 25694 82 1 14 "Average Difference" CA 68 1.395 -0.241 1.384 25694 83 1 14 "Average Difference" CB 68 4.031 -1.533 3.755 25694 84 1 14 "Average Difference" HN 61 0.333 -0.059 0.330 25694 85 1 15 "Average Difference" N 61 2.815 0.084 2.837 25694 86 1 15 "Average Difference" HA 68 0.252 -0.008 0.254 25694 87 1 15 "Average Difference" C 62 0.759 -0.102 0.759 25694 88 1 15 "Average Difference" CA 68 1.493 -0.164 1.495 25694 89 1 15 "Average Difference" CB 68 4.361 -1.569 4.099 25694 90 1 15 "Average Difference" HN 61 0.404 -0.117 0.390 25694 91 1 16 "Average Difference" N 61 2.686 0.250 2.697 25694 92 1 16 "Average Difference" HA 68 0.262 -0.003 0.264 25694 93 1 16 "Average Difference" C 62 0.867 -0.200 0.850 25694 94 1 16 "Average Difference" CA 68 1.482 -0.088 1.491 25694 95 1 16 "Average Difference" CB 68 4.087 -1.512 3.826 25694 96 1 16 "Average Difference" HN 61 0.370 -0.088 0.362 25694 97 1 17 "Average Difference" N 61 2.436 0.340 2.432 25694 98 1 17 "Average Difference" HA 68 0.220 -0.006 0.221 25694 99 1 17 "Average Difference" C 62 0.818 -0.261 0.782 25694 100 1 17 "Average Difference" CA 68 1.379 -0.139 1.382 25694 101 1 17 "Average Difference" CB 68 4.150 -1.459 3.915 25694 102 1 17 "Average Difference" HN 61 0.388 -0.035 0.390 25694 103 1 18 "Average Difference" N 61 2.593 0.105 2.612 25694 104 1 18 "Average Difference" HA 68 0.230 -0.015 0.231 25694 105 1 18 "Average Difference" C 62 0.836 -0.226 0.811 25694 106 1 18 "Average Difference" CA 68 1.386 -0.136 1.390 25694 107 1 18 "Average Difference" CB 68 4.179 -1.454 3.947 25694 108 1 18 "Average Difference" HN 61 0.396 -0.101 0.386 25694 109 1 19 "Average Difference" N 61 2.682 0.308 2.686 25694 110 1 19 "Average Difference" HA 68 0.261 -0.003 0.263 25694 111 1 19 "Average Difference" C 62 0.879 -0.265 0.845 25694 112 1 19 "Average Difference" CA 68 1.378 -0.163 1.379 25694 113 1 19 "Average Difference" CB 68 4.268 -1.457 4.041 25694 114 1 19 "Average Difference" HN 61 0.389 -0.094 0.381 25694 115 1 20 "Average Difference" N 61 2.427 0.182 2.440 25694 116 1 20 "Average Difference" HA 68 0.268 -0.005 0.270 25694 117 1 20 "Average Difference" C 62 0.806 -0.115 0.804 25694 118 1 20 "Average Difference" CA 68 1.319 -0.122 1.324 25694 119 1 20 "Average Difference" CB 68 4.125 -1.567 3.845 25694 120 1 20 "Average Difference" HN 61 0.344 -0.032 0.346 25694 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 25694 _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 0 0 MET HA H 0 4.501 4.501 4.752 -0.251 25694 2 1 . 1 1 0 0 MET C C 0 176.102 176.102 175.083 1.019 25694 3 1 . 1 1 0 0 MET CA C 0 55.781 55.781 55.117 0.664 25694 4 1 . 1 1 0 0 MET CB C 0 33.455 33.455 33.794 -0.339 25694 5 1 . 1 1 1 1 LYS N N 1 124.708 124.708 123.285 1.423 25694 6 1 . 1 1 1 1 LYS HA H 1 4.638 4.638 4.694 -0.056 25694 7 1 . 1 1 1 1 LYS CA C 1 54.486 54.486 54.689 -0.203 25694 8 1 . 1 1 1 1 LYS CB C 1 32.808 32.808 32.822 -0.014 25694 9 1 . 1 1 1 1 LYS H H 1 8.503 8.503 8.256 0.247 25694 10 1 . 1 1 2 2 PRO HA H 2 4.484 4.484 4.437 0.047 25694 11 1 . 1 1 2 2 PRO C C 2 177.031 177.031 176.396 0.635 25694 12 1 . 1 1 2 2 PRO CA C 2 63.200 63.200 62.980 0.221 25694 13 1 . 1 1 2 2 PRO CB C 2 32.161 32.161 31.689 0.472 25694 14 1 . 1 1 3 3 VAL N N 3 120.641 120.641 120.415 0.226 25694 15 1 . 1 1 3 3 VAL HA H 3 4.119 4.119 4.102 0.017 25694 16 1 . 1 1 3 3 VAL C C 3 176.393 176.393 175.668 0.725 25694 17 1 . 1 1 3 3 VAL CA C 3 62.495 62.495 62.636 -0.142 25694 18 1 . 1 1 3 3 VAL CB C 3 33.100 33.100 32.107 0.993 25694 19 1 . 1 1 3 3 VAL H H 3 8.290 8.290 8.065 0.225 25694 20 1 . 1 1 4 4 SER N N 4 119.097 119.097 119.042 0.055 25694 21 1 . 1 1 4 4 SER HA H 4 4.470 4.470 4.542 -0.072 25694 22 1 . 1 1 4 4 SER C C 4 174.617 174.617 174.261 0.356 25694 23 1 . 1 1 4 4 SER CA C 4 58.369 58.369 58.158 0.211 25694 24 1 . 1 1 4 4 SER CB C 4 64.187 64.187 63.704 0.483 25694 25 1 . 1 1 4 4 SER H H 4 8.349 8.349 8.339 0.010 25694 26 1 . 1 1 5 5 LEU N N 5 124.723 124.723 121.103 3.620 25694 27 1 . 1 1 5 5 LEU HA H 5 4.380 4.380 4.443 -0.063 25694 28 1 . 1 1 5 5 LEU C C 5 177.355 177.355 176.476 0.879 25694 29 1 . 1 1 5 5 LEU CA C 5 55.388 55.388 55.521 -0.133 25694 30 1 . 1 1 5 5 LEU CB C 5 42.515 42.515 42.351 0.164 25694 31 1 . 1 1 5 5 LEU H H 5 8.339 8.339 8.207 0.132 25694 32 1 . 1 1 6 6 SER N N 6 115.926 115.926 115.469 0.457 25694 33 1 . 1 1 6 6 SER HA H 6 4.414 4.414 4.500 -0.086 25694 34 1 . 1 1 6 6 SER C C 6 174.235 174.235 173.847 0.388 25694 35 1 . 1 1 6 6 SER CA C 6 58.369 58.369 58.643 -0.274 25694 36 1 . 1 1 6 6 SER CB C 6 64.187 64.187 62.825 1.362 25694 37 1 . 1 1 6 6 SER H H 6 8.199 8.199 8.306 -0.107 25694 38 1 . 1 1 7 7 TYR N N 7 122.124 122.124 120.957 1.167 25694 39 1 . 1 1 7 7 TYR HA H 7 4.576 4.576 4.678 -0.102 25694 40 1 . 1 1 7 7 TYR C C 7 175.530 175.530 174.887 0.643 25694 41 1 . 1 1 7 7 TYR CA C 7 58.008 58.008 57.421 0.587 25694 42 1 . 1 1 7 7 TYR CB C 7 38.969 38.969 38.818 0.151 25694 43 1 . 1 1 7 7 TYR H H 7 8.049 8.049 7.907 0.142 25694 44 1 . 1 1 8 8 ARG N N 8 121.947 121.947 118.644 3.303 25694 45 1 . 1 1 8 8 ARG HA H 8 4.326 4.326 4.176 0.150 25694 46 1 . 1 1 8 8 ARG C C 8 175.845 175.845 174.733 1.112 25694 47 1 . 1 1 8 8 ARG CA C 8 56.104 56.104 55.933 0.171 25694 48 1 . 1 1 8 8 ARG CB C 8 31.100 31.100 30.743 0.357 25694 49 1 . 1 1 8 8 ARG H H 8 8.177 8.177 7.874 0.303 25694 50 1 . 1 1 9 9 CYS N N 9 120.943 120.943 120.222 0.721 25694 51 1 . 1 1 9 9 CYS HA H 9 4.954 4.954 4.609 0.345 25694 52 1 . 1 1 9 9 CYS CA C 9 53.127 53.127 56.823 -3.696 25694 53 1 . 1 1 9 9 CYS CB C 9 40.218 40.218 26.893 13.325 25694 54 1 . 1 1 9 9 CYS H H 9 8.173 8.173 8.328 -0.155 25694 55 1 . 1 1 10 10 PRO HA H 10 4.352 4.352 4.413 -0.061 25694 56 1 . 1 1 10 10 PRO C C 10 177.347 177.347 176.235 1.112 25694 57 1 . 1 1 10 10 PRO CA C 10 64.859 64.859 63.929 0.930 25694 58 1 . 1 1 10 10 PRO CB C 10 32.508 32.508 32.212 0.296 25694 59 1 . 1 1 11 11 CYS N N 11 114.096 114.096 116.349 -2.253 25694 60 1 . 1 1 11 11 CYS HA H 11 4.725 4.725 4.646 0.079 25694 61 1 . 1 1 11 11 CYS CA C 11 53.429 53.429 57.744 -4.315 25694 62 1 . 1 1 11 11 CYS CB C 11 39.279 39.279 27.981 11.298 25694 63 1 . 1 1 11 11 CYS H H 11 8.232 8.232 7.920 0.312 25694 64 1 . 1 1 12 12 ARG HA H 12 4.069 4.069 4.091 -0.022 25694 65 1 . 1 1 12 12 ARG C C 12 175.106 175.106 175.003 0.103 25694 66 1 . 1 1 12 12 ARG CA C 12 57.000 57.000 56.727 0.273 25694 67 1 . 1 1 12 12 ARG CB C 12 31.500 31.500 30.781 0.719 25694 68 1 . 1 1 13 13 PHE N N 13 116.259 116.259 117.817 -1.558 25694 69 1 . 1 1 13 13 PHE HA H 13 4.630 4.630 4.410 0.220 25694 70 1 . 1 1 13 13 PHE C C 13 174.227 174.227 174.194 0.033 25694 71 1 . 1 1 13 13 PHE CA C 13 55.971 55.971 56.611 -0.640 25694 72 1 . 1 1 13 13 PHE CB C 13 41.059 41.059 40.971 0.088 25694 73 1 . 1 1 13 13 PHE H H 13 7.572 7.572 7.551 0.021 25694 74 1 . 1 1 14 14 PHE N N 14 119.623 119.623 118.878 0.745 25694 75 1 . 1 1 14 14 PHE HA H 14 4.936 4.936 4.840 0.096 25694 76 1 . 1 1 14 14 PHE C C 14 175.496 175.496 175.026 0.470 25694 77 1 . 1 1 14 14 PHE CA C 14 56.147 56.147 56.294 -0.147 25694 78 1 . 1 1 14 14 PHE CB C 14 41.544 41.544 41.970 -0.426 25694 79 1 . 1 1 14 14 PHE H H 14 8.450 8.450 8.320 0.130 25694 80 1 . 1 1 15 15 GLU N N 15 122.147 122.147 121.959 0.188 25694 81 1 . 1 1 15 15 GLU HA H 15 4.635 4.635 4.668 -0.033 25694 82 1 . 1 1 15 15 GLU C C 15 176.990 176.990 176.554 0.436 25694 83 1 . 1 1 15 15 GLU CA C 15 55.780 55.780 54.853 0.927 25694 84 1 . 1 1 15 15 GLU CB C 15 31.109 31.109 31.827 -0.718 25694 85 1 . 1 1 15 15 GLU H H 15 8.956 8.956 9.063 -0.107 25694 86 1 . 1 1 16 16 SER N N 16 119.943 119.943 119.490 0.453 25694 87 1 . 1 1 16 16 SER HA H 16 4.598 4.598 4.388 0.210 25694 88 1 . 1 1 16 16 SER C C 16 174.385 174.385 174.236 0.149 25694 89 1 . 1 1 16 16 SER CA C 16 59.799 59.799 59.379 0.420 25694 90 1 . 1 1 16 16 SER CB C 16 64.517 64.517 63.691 0.826 25694 91 1 . 1 1 16 16 SER H H 16 8.943 8.943 8.695 0.248 25694 92 1 . 1 1 17 17 HIS N N 17 119.124 119.124 118.000 1.124 25694 93 1 . 1 1 17 17 HIS HA H 17 4.700 4.700 4.653 0.047 25694 94 1 . 1 1 17 17 HIS C C 17 174.567 174.567 173.700 0.867 25694 95 1 . 1 1 17 17 HIS CA C 17 56.751 56.751 55.204 1.547 25694 96 1 . 1 1 17 17 HIS CB C 17 29.896 29.896 28.660 1.236 25694 97 1 . 1 1 17 17 HIS H H 17 8.649 8.649 8.294 0.355 25694 98 1 . 1 1 18 18 VAL N N 18 121.960 121.960 122.429 -0.469 25694 99 1 . 1 1 18 18 VAL HA H 18 4.157 4.157 4.259 -0.102 25694 100 1 . 1 1 18 18 VAL C C 18 175.140 175.140 174.985 0.155 25694 101 1 . 1 1 18 18 VAL CA C 18 61.928 61.928 61.791 0.137 25694 102 1 . 1 1 18 18 VAL CB C 18 33.700 33.700 33.226 0.474 25694 103 1 . 1 1 18 18 VAL H H 18 7.876 7.876 8.119 -0.243 25694 104 1 . 1 1 19 19 ALA N N 19 132.226 132.226 129.157 3.069 25694 105 1 . 1 1 19 19 ALA HA H 19 4.515 4.515 4.750 -0.235 25694 106 1 . 1 1 19 19 ALA C C 19 178.060 178.060 177.405 0.655 25694 107 1 . 1 1 19 19 ALA CA C 19 51.500 51.500 50.494 1.006 25694 108 1 . 1 1 19 19 ALA CB C 19 18.884 18.884 20.382 -1.498 25694 109 1 . 1 1 19 19 ALA H H 19 8.843 8.843 8.731 0.112 25694 110 1 . 1 1 20 20 ARG N N 20 125.791 125.791 124.172 1.619 25694 111 1 . 1 1 20 20 ARG HA H 20 2.837 2.837 3.091 -0.254 25694 112 1 . 1 1 20 20 ARG C C 20 178.459 178.459 177.124 1.335 25694 113 1 . 1 1 20 20 ARG CA C 20 58.639 58.639 58.202 0.437 25694 114 1 . 1 1 20 20 ARG CB C 20 28.925 28.925 29.293 -0.368 25694 115 1 . 1 1 20 20 ARG H H 20 8.196 8.196 8.331 -0.135 25694 116 1 . 1 1 21 21 ALA N N 21 117.396 117.396 119.235 -1.839 25694 117 1 . 1 1 21 21 ALA HA H 21 4.082 4.082 4.105 -0.023 25694 118 1 . 1 1 21 21 ALA C C 21 177.745 177.745 177.425 0.320 25694 119 1 . 1 1 21 21 ALA CA C 21 53.809 53.809 53.847 -0.038 25694 120 1 . 1 1 21 21 ALA CB C 21 18.884 18.884 18.709 0.175 25694 121 1 . 1 1 21 21 ALA H H 21 8.309 8.309 8.132 0.177 25694 122 1 . 1 1 22 22 ASN N N 22 113.201 113.201 114.020 -0.819 25694 123 1 . 1 1 22 22 ASN HA H 22 4.974 4.974 4.739 0.235 25694 124 1 . 1 1 22 22 ASN C C 22 174.999 174.999 174.142 0.857 25694 125 1 . 1 1 22 22 ASN CA C 22 52.590 52.590 52.879 -0.289 25694 126 1 . 1 1 22 22 ASN CB C 22 39.900 39.900 39.613 0.287 25694 127 1 . 1 1 22 22 ASN H H 22 7.796 7.796 7.933 -0.137 25694 128 1 . 1 1 23 23 VAL N N 23 117.829 117.829 113.966 3.863 25694 129 1 . 1 1 23 23 VAL HA H 23 4.488 4.488 4.872 -0.384 25694 130 1 . 1 1 23 23 VAL C C 23 174.393 174.393 175.138 -0.745 25694 131 1 . 1 1 23 23 VAL CA C 23 62.250 62.250 60.406 1.844 25694 132 1 . 1 1 23 23 VAL CB C 23 33.700 33.700 34.532 -0.832 25694 133 1 . 1 1 23 23 VAL H H 23 7.477 7.477 7.112 0.364 25694 134 1 . 1 1 24 24 LYS N N 24 123.962 123.962 122.948 1.014 25694 135 1 . 1 1 24 24 LYS HA H 24 4.480 4.480 4.465 0.015 25694 136 1 . 1 1 24 24 LYS C C 24 175.090 175.090 176.673 -1.583 25694 137 1 . 1 1 24 24 LYS CA C 24 56.104 56.104 56.408 -0.304 25694 138 1 . 1 1 24 24 LYS CB C 24 35.396 35.396 33.459 1.937 25694 139 1 . 1 1 24 24 LYS H H 24 9.276 9.276 8.657 0.619 25694 140 1 . 1 1 25 25 HIS N N 25 115.921 115.921 118.656 -2.735 25694 141 1 . 1 1 25 25 HIS HA H 25 4.703 4.703 4.789 -0.086 25694 142 1 . 1 1 25 25 HIS C C 25 173.364 173.364 172.546 0.818 25694 143 1 . 1 1 25 25 HIS CA C 25 55.781 55.781 55.897 -0.116 25694 144 1 . 1 1 25 25 HIS CB C 25 32.161 32.161 32.499 -0.338 25694 145 1 . 1 1 25 25 HIS H H 25 7.964 7.964 7.662 0.302 25694 146 1 . 1 1 26 26 LEU N N 26 122.215 122.215 125.299 -3.084 25694 147 1 . 1 1 26 26 LEU HA H 26 4.968 4.968 5.032 -0.064 25694 148 1 . 1 1 26 26 LEU C C 26 175.720 175.720 175.142 0.578 25694 149 1 . 1 1 26 26 LEU CA C 26 55.457 55.457 53.400 2.057 25694 150 1 . 1 1 26 26 LEU CB C 26 45.594 45.594 45.850 -0.256 25694 151 1 . 1 1 26 26 LEU H H 26 8.076 8.076 8.404 -0.328 25694 152 1 . 1 1 27 27 LYS N N 27 122.738 122.738 121.345 1.393 25694 153 1 . 1 1 27 27 LYS HA H 27 4.769 4.769 4.656 0.113 25694 154 1 . 1 1 27 27 LYS C C 27 173.953 173.953 174.715 -0.762 25694 155 1 . 1 1 27 27 LYS CA C 27 55.130 55.130 54.467 0.663 25694 156 1 . 1 1 27 27 LYS CB C 27 36.300 36.300 35.725 0.575 25694 157 1 . 1 1 27 27 LYS H H 27 9.113 9.113 8.854 0.259 25694 158 1 . 1 1 28 28 ILE N N 28 122.212 122.212 123.419 -1.207 25694 159 1 . 1 1 28 28 ILE HA H 28 4.776 4.776 4.622 0.154 25694 160 1 . 1 1 28 28 ILE C C 28 175.895 175.895 175.492 0.403 25694 161 1 . 1 1 28 28 ILE CA C 28 60.200 60.200 60.123 0.077 25694 162 1 . 1 1 28 28 ILE CB C 28 39.200 39.200 38.557 0.643 25694 163 1 . 1 1 28 28 ILE H H 28 8.535 8.535 8.620 -0.085 25694 164 1 . 1 1 29 29 LEU N N 29 128.977 128.977 131.693 -2.716 25694 165 1 . 1 1 29 29 LEU HA H 29 4.715 4.715 4.611 0.104 25694 166 1 . 1 1 29 29 LEU C C 29 175.438 175.438 175.002 0.436 25694 167 1 . 1 1 29 29 LEU CA C 29 54.100 54.100 53.400 0.700 25694 168 1 . 1 1 29 29 LEU CB C 29 44.132 44.132 40.712 3.420 25694 169 1 . 1 1 29 29 LEU H H 29 9.137 9.137 8.794 0.343 25694 170 1 . 1 1 30 30 ASN N N 30 124.331 124.331 122.155 2.176 25694 171 1 . 1 1 30 30 ASN HA H 30 5.145 5.145 4.912 0.233 25694 172 1 . 1 1 30 30 ASN C C 30 174.335 174.335 174.733 -0.398 25694 173 1 . 1 1 30 30 ASN CA C 30 52.413 52.413 51.639 0.774 25694 174 1 . 1 1 30 30 ASN CB C 30 39.600 39.600 38.296 1.303 25694 175 1 . 1 1 30 30 ASN H H 30 8.824 8.824 8.229 0.595 25694 176 1 . 1 1 31 31 THR N N 31 118.685 118.685 114.967 3.718 25694 177 1 . 1 1 31 31 THR HA H 31 4.796 4.796 4.750 0.046 25694 178 1 . 1 1 31 31 THR CA C 31 59.600 59.600 59.268 0.332 25694 179 1 . 1 1 31 31 THR CB C 31 70.459 70.459 69.258 1.201 25694 180 1 . 1 1 31 31 THR H H 31 8.456 8.456 7.815 0.641 25694 181 1 . 1 1 32 32 PRO HA H 32 4.290 4.290 4.364 -0.074 25694 182 1 . 1 1 32 32 PRO C C 32 177.197 177.197 177.150 0.047 25694 183 1 . 1 1 32 32 PRO CA C 32 64.841 64.841 64.679 0.163 25694 184 1 . 1 1 32 32 PRO CB C 32 32.170 32.170 31.889 0.281 25694 185 1 . 1 1 33 33 ASN N N 33 112.484 112.484 114.581 -2.097 25694 186 1 . 1 1 33 33 ASN HA H 33 4.482 4.482 4.713 -0.231 25694 187 1 . 1 1 33 33 ASN C C 33 174.526 174.526 174.906 -0.380 25694 188 1 . 1 1 33 33 ASN CA C 33 54.945 54.945 53.834 1.111 25694 189 1 . 1 1 33 33 ASN CB C 33 38.632 38.632 38.701 -0.069 25694 190 1 . 1 1 33 33 ASN H H 33 8.470 8.470 8.463 0.007 25694 191 1 . 1 1 34 34 CYS N N 34 116.720 116.720 116.975 -0.255 25694 192 1 . 1 1 34 34 CYS HA H 34 4.927 4.927 4.608 0.319 25694 193 1 . 1 1 34 34 CYS C C 34 173.762 173.762 173.251 0.511 25694 194 1 . 1 1 34 34 CYS CA C 34 54.810 54.810 57.825 -3.015 25694 195 1 . 1 1 34 34 CYS CB C 34 44.100 44.100 29.758 14.342 25694 196 1 . 1 1 34 34 CYS H H 34 7.663 7.663 7.484 0.179 25694 197 1 . 1 1 35 35 ALA N N 35 125.254 125.254 121.786 3.468 25694 198 1 . 1 1 35 35 ALA HA H 35 4.297 4.297 4.533 -0.236 25694 199 1 . 1 1 35 35 ALA C C 35 176.882 176.882 175.448 1.434 25694 200 1 . 1 1 35 35 ALA CA C 35 52.413 52.413 51.470 0.943 25694 201 1 . 1 1 35 35 ALA CB C 35 18.968 18.968 20.417 -1.449 25694 202 1 . 1 1 35 35 ALA H H 35 8.449 8.449 8.296 0.153 25694 203 1 . 1 1 36 36 LEU N N 36 122.078 122.078 120.848 1.230 25694 204 1 . 1 1 36 36 LEU HA H 36 4.401 4.401 4.995 -0.594 25694 205 1 . 1 1 36 36 LEU C C 36 176.442 176.442 176.075 0.367 25694 206 1 . 1 1 36 36 LEU CA C 36 56.751 56.751 54.350 2.401 25694 207 1 . 1 1 36 36 LEU CB C 36 42.465 42.465 42.470 -0.005 25694 208 1 . 1 1 36 36 LEU H H 36 8.073 8.073 8.291 -0.218 25694 209 1 . 1 1 37 37 GLN N N 37 121.790 121.790 125.082 -3.292 25694 210 1 . 1 1 37 37 GLN HA H 37 4.748 4.748 4.776 -0.028 25694 211 1 . 1 1 37 37 GLN C C 37 173.804 173.804 174.675 -0.871 25694 212 1 . 1 1 37 37 GLN CA C 37 54.400 54.400 54.268 0.132 25694 213 1 . 1 1 37 37 GLN CB C 37 32.463 32.463 32.722 -0.259 25694 214 1 . 1 1 37 37 GLN H H 37 8.397 8.397 8.999 -0.602 25694 215 1 . 1 1 38 38 ILE N N 38 123.702 123.702 123.000 0.702 25694 216 1 . 1 1 38 38 ILE HA H 38 4.745 4.745 4.558 0.187 25694 217 1 . 1 1 38 38 ILE C C 38 174.808 174.808 175.001 -0.193 25694 218 1 . 1 1 38 38 ILE CA C 38 60.950 60.950 59.254 1.696 25694 219 1 . 1 1 38 38 ILE CB C 38 39.600 39.600 38.030 1.570 25694 220 1 . 1 1 38 38 ILE H H 38 9.213 9.213 8.638 0.575 25694 221 1 . 1 1 39 39 VAL N N 39 125.930 125.930 128.955 -3.025 25694 222 1 . 1 1 39 39 VAL HA H 39 5.016 5.016 4.651 0.365 25694 223 1 . 1 1 39 39 VAL C C 39 174.741 174.741 174.022 0.719 25694 224 1 . 1 1 39 39 VAL CA C 39 60.950 60.950 61.019 -0.069 25694 225 1 . 1 1 39 39 VAL CB C 39 34.426 34.426 33.367 1.059 25694 226 1 . 1 1 39 39 VAL H H 39 9.056 9.056 8.572 0.484 25694 227 1 . 1 1 40 40 ALA N N 40 127.551 127.551 130.362 -2.811 25694 228 1 . 1 1 40 40 ALA HA H 40 5.332 5.332 5.272 0.060 25694 229 1 . 1 1 40 40 ALA C C 40 175.948 175.948 175.432 0.516 25694 230 1 . 1 1 40 40 ALA CA C 40 50.280 50.280 49.993 0.287 25694 231 1 . 1 1 40 40 ALA CB C 40 24.063 24.063 23.401 0.662 25694 232 1 . 1 1 40 40 ALA H H 40 9.335 9.335 9.428 -0.093 25694 233 1 . 1 1 41 41 ARG N N 41 118.658 118.658 120.716 -2.058 25694 234 1 . 1 1 41 41 ARG HA H 41 5.219 5.219 5.193 0.026 25694 235 1 . 1 1 41 41 ARG C C 41 176.310 176.310 175.573 0.737 25694 236 1 . 1 1 41 41 ARG CA C 41 54.100 54.100 53.358 0.742 25694 237 1 . 1 1 41 41 ARG CB C 41 32.428 32.428 31.857 0.571 25694 238 1 . 1 1 41 41 ARG H H 41 8.511 8.511 8.997 -0.486 25694 239 1 . 1 1 42 42 LEU N N 42 125.307 125.307 125.597 -0.290 25694 240 1 . 1 1 42 42 LEU HA H 42 4.926 4.926 4.723 0.203 25694 241 1 . 1 1 42 42 LEU C C 42 178.475 178.475 177.890 0.585 25694 242 1 . 1 1 42 42 LEU CA C 42 54.329 54.329 55.326 -0.997 25694 243 1 . 1 1 42 42 LEU CB C 42 41.497 41.497 42.392 -0.895 25694 244 1 . 1 1 42 42 LEU H H 42 9.038 9.038 8.964 0.073 25694 245 1 . 1 1 43 43 LYS N N 43 120.597 120.597 123.843 -3.246 25694 246 1 . 1 1 43 43 LYS HA H 43 3.833 3.833 3.980 -0.147 25694 247 1 . 1 1 43 43 LYS C C 43 178.342 178.342 178.492 -0.150 25694 248 1 . 1 1 43 43 LYS CA C 43 59.340 59.340 59.995 -0.655 25694 249 1 . 1 1 43 43 LYS CB C 43 33.445 33.445 32.460 0.984 25694 250 1 . 1 1 43 43 LYS H H 43 8.480 8.480 8.736 -0.256 25694 251 1 . 1 1 44 44 ASN N N 44 114.812 114.812 116.512 -1.700 25694 252 1 . 1 1 44 44 ASN HA H 44 4.476 4.476 4.557 -0.081 25694 253 1 . 1 1 44 44 ASN C C 44 176.032 176.032 176.505 -0.473 25694 254 1 . 1 1 44 44 ASN CA C 44 55.780 55.780 55.279 0.501 25694 255 1 . 1 1 44 44 ASN CB C 44 37.507 37.507 37.837 -0.330 25694 256 1 . 1 1 44 44 ASN H H 44 8.725 8.725 8.411 0.314 25694 257 1 . 1 1 45 45 ASN N N 45 115.093 115.093 117.968 -2.875 25694 258 1 . 1 1 45 45 ASN HA H 45 4.738 4.738 4.610 0.128 25694 259 1 . 1 1 45 45 ASN C C 45 175.513 175.513 175.083 0.430 25694 260 1 . 1 1 45 45 ASN CA C 45 52.769 52.769 52.940 -0.171 25694 261 1 . 1 1 45 45 ASN CB C 45 39.211 39.211 38.758 0.453 25694 262 1 . 1 1 45 45 ASN H H 45 7.519 7.519 8.175 -0.656 25694 263 1 . 1 1 46 46 ASN N N 46 116.121 116.121 114.343 1.777 25694 264 1 . 1 1 46 46 ASN HA H 46 4.669 4.669 4.553 0.116 25694 265 1 . 1 1 46 46 ASN C C 46 174.816 174.816 173.732 1.084 25694 266 1 . 1 1 46 46 ASN CA C 46 54.800 54.800 54.653 0.147 25694 267 1 . 1 1 46 46 ASN CB C 46 39.279 39.279 37.374 1.905 25694 268 1 . 1 1 46 46 ASN H H 46 8.033 8.033 8.266 -0.233 25694 269 1 . 1 1 47 47 ARG N N 47 119.917 119.917 118.080 1.837 25694 270 1 . 1 1 47 47 ARG HA H 47 4.253 4.253 4.449 -0.196 25694 271 1 . 1 1 47 47 ARG C C 47 175.845 175.845 175.098 0.747 25694 272 1 . 1 1 47 47 ARG CA C 47 57.084 57.084 55.416 1.668 25694 273 1 . 1 1 47 47 ARG CB C 47 31.785 31.785 31.630 0.155 25694 274 1 . 1 1 47 47 ARG H H 47 7.981 7.981 7.816 0.165 25694 275 1 . 1 1 48 48 GLN N N 48 123.497 123.497 123.584 -0.087 25694 276 1 . 1 1 48 48 GLN HA H 48 5.242 5.242 5.247 -0.005 25694 277 1 . 1 1 48 48 GLN C C 48 175.629 175.629 174.922 0.707 25694 278 1 . 1 1 48 48 GLN CA C 48 55.780 55.780 55.497 0.283 25694 279 1 . 1 1 48 48 GLN CB C 48 31.190 31.190 30.023 1.167 25694 280 1 . 1 1 48 48 GLN H H 48 8.737 8.737 8.505 0.232 25694 281 1 . 1 1 49 49 VAL N N 49 119.819 119.819 124.930 -5.111 25694 282 1 . 1 1 49 49 VAL HA H 49 4.773 4.773 4.529 0.244 25694 283 1 . 1 1 49 49 VAL C C 49 174.235 174.235 173.367 0.868 25694 284 1 . 1 1 49 49 VAL CA C 49 59.266 59.266 60.177 -0.911 25694 285 1 . 1 1 49 49 VAL CB C 49 36.000 36.000 36.237 -0.237 25694 286 1 . 1 1 49 49 VAL H H 49 9.150 9.150 9.109 0.041 25694 287 1 . 1 1 50 50 CYS N N 50 120.721 120.721 124.016 -3.295 25694 288 1 . 1 1 50 50 CYS HA H 50 5.653 5.653 5.594 0.059 25694 289 1 . 1 1 50 50 CYS C C 50 174.078 174.078 175.211 -1.133 25694 290 1 . 1 1 50 50 CYS CA C 50 56.428 56.428 57.739 -1.311 25694 291 1 . 1 1 50 50 CYS CB C 50 45.270 45.270 27.860 17.410 25694 292 1 . 1 1 50 50 CYS H H 50 8.854 8.854 8.781 0.073 25694 293 1 . 1 1 51 51 ILE N N 51 124.038 124.038 123.696 0.342 25694 294 1 . 1 1 51 51 ILE HA H 51 4.510 4.510 4.547 -0.037 25694 295 1 . 1 1 51 51 ILE C C 51 174.775 174.775 174.873 -0.098 25694 296 1 . 1 1 51 51 ILE CA C 51 59.300 59.300 60.521 -1.221 25694 297 1 . 1 1 51 51 ILE CB C 51 39.603 39.603 40.114 -0.511 25694 298 1 . 1 1 51 51 ILE H H 51 8.934 8.934 8.811 0.123 25694 299 1 . 1 1 52 52 ASP N N 52 127.393 127.393 124.250 3.143 25694 300 1 . 1 1 52 52 ASP HA H 52 3.745 3.745 4.256 -0.512 25694 301 1 . 1 1 52 52 ASP CA C 52 51.890 51.890 51.658 0.232 25694 302 1 . 1 1 52 52 ASP CB C 52 43.162 43.162 42.330 0.832 25694 303 1 . 1 1 52 52 ASP H H 52 8.098 8.098 8.081 0.017 25694 304 1 . 1 1 53 53 PRO HA H 53 4.085 4.085 4.206 -0.121 25694 305 1 . 1 1 53 53 PRO C C 53 176.500 176.500 176.104 0.396 25694 306 1 . 1 1 53 53 PRO CA C 53 64.510 64.510 63.368 1.142 25694 307 1 . 1 1 53 53 PRO CB C 53 32.272 32.272 31.418 0.854 25694 308 1 . 1 1 54 54 LYS N N 54 116.899 116.899 117.020 -0.121 25694 309 1 . 1 1 54 54 LYS HA H 54 4.205 4.205 4.328 -0.123 25694 310 1 . 1 1 54 54 LYS C C 54 176.791 176.791 177.111 -0.320 25694 311 1 . 1 1 54 54 LYS CA C 54 55.700 55.700 55.955 -0.255 25694 312 1 . 1 1 54 54 LYS CB C 54 30.800 30.800 32.593 -1.793 25694 313 1 . 1 1 54 54 LYS H H 54 8.129 8.129 7.775 0.354 25694 314 1 . 1 1 55 55 CYS N N 55 119.988 119.988 118.936 1.052 25694 315 1 . 1 1 55 55 CYS HA H 55 4.397 4.397 4.384 0.013 25694 316 1 . 1 1 55 55 CYS CA C 55 57.075 57.075 57.415 -0.340 25694 317 1 . 1 1 55 55 CYS CB C 55 41.544 41.544 28.318 13.226 25694 318 1 . 1 1 55 55 CYS H H 55 7.989 7.989 7.455 0.534 25694 319 1 . 1 1 56 56 LYS HA H 56 4.127 4.127 4.149 -0.022 25694 320 1 . 1 1 56 56 LYS C C 56 178.326 178.326 178.292 0.034 25694 321 1 . 1 1 56 56 LYS CA C 56 60.600 60.600 58.998 1.602 25694 322 1 . 1 1 56 56 LYS CB C 56 32.800 32.800 32.920 -0.120 25694 323 1 . 1 1 57 57 TRP N N 57 114.860 114.860 117.064 -2.204 25694 324 1 . 1 1 57 57 TRP HA H 57 4.905 4.905 4.710 0.195 25694 325 1 . 1 1 57 57 TRP C C 57 177.803 177.803 177.589 0.214 25694 326 1 . 1 1 57 57 TRP CA C 57 56.240 56.240 57.930 -1.690 25694 327 1 . 1 1 57 57 TRP CB C 57 28.925 28.925 27.969 0.956 25694 328 1 . 1 1 57 57 TRP H H 57 7.274 7.274 7.931 -0.657 25694 329 1 . 1 1 58 58 CYS N N 58 121.960 121.960 117.431 4.529 25694 330 1 . 1 1 58 58 CYS HA H 58 3.917 3.917 3.941 -0.024 25694 331 1 . 1 1 58 58 CYS C C 58 175.480 175.480 177.201 -1.721 25694 332 1 . 1 1 58 58 CYS CA C 58 64.835 64.835 60.289 4.545 25694 333 1 . 1 1 58 58 CYS CB C 58 36.367 36.367 25.670 10.697 25694 334 1 . 1 1 58 58 CYS H H 58 7.780 7.780 7.301 0.479 25694 335 1 . 1 1 59 59 GLN N N 59 119.203 119.203 120.100 -0.897 25694 336 1 . 1 1 59 59 GLN HA H 59 3.947 3.947 3.939 0.008 25694 337 1 . 1 1 59 59 GLN C C 59 178.152 178.152 178.572 -0.420 25694 338 1 . 1 1 59 59 GLN CA C 59 59.663 59.663 58.875 0.788 25694 339 1 . 1 1 59 59 GLN CB C 59 27.972 27.972 27.813 0.159 25694 340 1 . 1 1 59 59 GLN H H 59 8.073 8.073 7.934 0.139 25694 341 1 . 1 1 60 60 GLU N N 60 118.831 118.831 119.192 -0.361 25694 342 1 . 1 1 60 60 GLU HA H 60 4.121 4.121 4.153 -0.032 25694 343 1 . 1 1 60 60 GLU C C 60 178.367 178.367 178.913 -0.546 25694 344 1 . 1 1 60 60 GLU CA C 60 59.340 59.340 58.828 0.512 25694 345 1 . 1 1 60 60 GLU CB C 60 29.896 29.896 29.455 0.441 25694 346 1 . 1 1 60 60 GLU H H 60 8.085 8.085 7.922 0.163 25694 347 1 . 1 1 61 61 TYR N N 61 118.802 118.802 121.238 -2.436 25694 348 1 . 1 1 61 61 TYR HA H 61 4.330 4.330 4.262 0.068 25694 349 1 . 1 1 61 61 TYR C C 61 177.629 177.629 177.252 0.377 25694 350 1 . 1 1 61 61 TYR CA C 61 61.281 61.281 60.978 0.303 25694 351 1 . 1 1 61 61 TYR CB C 61 38.956 38.956 38.323 0.633 25694 352 1 . 1 1 61 61 TYR H H 61 7.666 7.666 7.896 -0.230 25694 353 1 . 1 1 62 62 LEU N N 62 119.351 119.351 119.475 -0.124 25694 354 1 . 1 1 62 62 LEU HA H 62 3.867 3.867 3.432 0.435 25694 355 1 . 1 1 62 62 LEU C C 62 178.724 178.724 179.147 -0.423 25694 356 1 . 1 1 62 62 LEU CA C 62 57.619 57.619 57.870 -0.251 25694 357 1 . 1 1 62 62 LEU CB C 62 42.190 42.190 41.326 0.864 25694 358 1 . 1 1 62 62 LEU H H 62 8.275 8.275 8.409 -0.134 25694 359 1 . 1 1 63 63 GLU N N 63 118.049 118.049 117.719 0.330 25694 360 1 . 1 1 63 63 GLU HA H 63 3.997 3.997 4.020 -0.023 25694 361 1 . 1 1 63 63 GLU C C 63 178.649 178.649 178.768 -0.119 25694 362 1 . 1 1 63 63 GLU CA C 63 59.143 59.143 58.880 0.263 25694 363 1 . 1 1 63 63 GLU CB C 63 29.896 29.896 29.087 0.809 25694 364 1 . 1 1 63 63 GLU H H 63 8.066 8.066 7.783 0.283 25694 365 1 . 1 1 64 64 LYS N N 64 117.297 117.297 118.369 -1.072 25694 366 1 . 1 1 64 64 LYS HA H 64 4.228 4.228 4.219 0.009 25694 367 1 . 1 1 64 64 LYS C C 64 178.085 178.085 178.874 -0.789 25694 368 1 . 1 1 64 64 LYS CA C 64 57.820 57.820 58.078 -0.258 25694 369 1 . 1 1 64 64 LYS CB C 64 32.808 32.808 32.441 0.366 25694 370 1 . 1 1 64 64 LYS H H 64 7.572 7.572 7.532 0.040 25694 371 1 . 1 1 65 65 ALA N N 65 121.570 121.570 122.664 -1.094 25694 372 1 . 1 1 65 65 ALA HA H 65 4.174 4.174 4.285 -0.111 25694 373 1 . 1 1 65 65 ALA C C 65 178.707 178.707 179.508 -0.801 25694 374 1 . 1 1 65 65 ALA CA C 65 53.800 53.800 54.345 -0.545 25694 375 1 . 1 1 65 65 ALA CB C 65 19.534 19.534 18.062 1.472 25694 376 1 . 1 1 65 65 ALA H H 65 7.964 7.964 8.123 -0.159 25694 377 1 . 1 1 66 66 LEU N N 66 117.399 117.399 117.867 -0.468 25694 378 1 . 1 1 66 66 LEU HA H 66 4.325 4.325 3.986 0.339 25694 379 1 . 1 1 66 66 LEU C C 66 177.264 177.264 177.887 -0.623 25694 380 1 . 1 1 66 66 LEU CA C 66 55.457 55.457 56.758 -1.301 25694 381 1 . 1 1 66 66 LEU CB C 66 42.500 42.500 41.457 1.043 25694 382 1 . 1 1 66 66 LEU H H 66 7.888 7.888 7.742 0.146 25694 383 1 . 1 1 67 67 ASN N N 67 118.846 118.846 116.686 2.160 25694 384 1 . 1 1 67 67 ASN HA H 67 4.770 4.770 4.740 0.030 25694 385 1 . 1 1 67 67 ASN C C 67 174.094 174.094 174.666 -0.572 25694 386 1 . 1 1 67 67 ASN CA C 67 53.434 53.434 53.169 0.265 25694 387 1 . 1 1 67 67 ASN CB C 67 39.279 39.279 39.198 0.081 25694 388 1 . 1 1 67 67 ASN H H 67 7.959 7.959 7.721 0.238 25694 stop_ save_