data_19792 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19792 _Entry.PDB_ID 2MKS 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 19792 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 HIS HA H 2 4.596 4.596 5.092 -0.496 19792 2 1 1 . 1 1 2 2 HIS C C 2 171.930 171.930 174.305 -2.375 19792 3 1 1 . 1 1 2 2 HIS CA C 2 52.879 52.879 56.476 -3.597 19792 4 1 1 . 1 1 2 2 HIS CB C 2 27.693 27.693 31.526 -3.833 19792 5 1 1 . 1 1 3 3 MET N N 3 122.778 122.778 123.721 -0.943 19792 6 1 1 . 1 1 3 3 MET HA H 3 4.365 4.365 4.649 -0.284 19792 7 1 1 . 1 1 3 3 MET C C 3 173.051 173.051 174.609 -1.558 19792 8 1 1 . 1 1 3 3 MET CA C 3 52.457 52.457 55.059 -2.603 19792 9 1 1 . 1 1 3 3 MET CB C 3 30.267 30.267 35.368 -5.101 19792 10 1 1 . 1 1 3 3 MET H H 3 8.407 8.407 8.355 0.052 19792 11 1 1 . 1 1 4 4 VAL N N 4 121.985 121.985 124.358 -2.373 19792 12 1 1 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.391 -0.399 19792 13 1 1 . 1 1 4 4 VAL C C 4 173.161 173.161 175.297 -2.136 19792 14 1 1 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.926 -3.737 19792 15 1 1 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.874 -2.561 19792 16 1 1 . 1 1 4 4 VAL H H 4 8.170 8.170 8.612 -0.442 19792 17 1 1 . 1 1 5 5 GLU N N 5 124.990 124.990 122.152 2.838 19792 18 1 1 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.477 -0.315 19792 19 1 1 . 1 1 5 5 GLU C C 5 173.208 173.208 177.043 -3.835 19792 20 1 1 . 1 1 5 5 GLU CA C 5 53.271 53.271 56.143 -2.872 19792 21 1 1 . 1 1 5 5 GLU CB C 5 27.861 27.861 30.905 -3.044 19792 22 1 1 . 1 1 5 5 GLU H H 5 8.469 8.469 8.565 -0.096 19792 23 1 1 . 1 1 6 6 ALA N N 6 124.750 124.750 124.900 -0.150 19792 24 1 1 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.417 -0.282 19792 25 1 1 . 1 1 6 6 ALA C C 6 174.516 174.516 176.481 -1.965 19792 26 1 1 . 1 1 6 6 ALA CA C 6 49.571 49.571 52.428 -2.857 19792 27 1 1 . 1 1 6 6 ALA CB C 6 16.604 16.604 17.450 -0.846 19792 28 1 1 . 1 1 6 6 ALA H H 6 8.229 8.229 7.922 0.307 19792 29 1 1 . 1 1 7 7 ASP N N 7 119.477 119.477 120.583 -1.106 19792 30 1 1 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.714 -0.284 19792 31 1 1 . 1 1 7 7 ASP C C 7 173.005 173.005 174.383 -1.378 19792 32 1 1 . 1 1 7 7 ASP CA C 7 51.032 51.032 54.100 -3.068 19792 33 1 1 . 1 1 7 7 ASP CB C 7 38.658 38.658 42.992 -4.335 19792 34 1 1 . 1 1 7 7 ASP H H 7 8.172 8.172 7.922 0.250 19792 35 1 1 . 1 1 8 8 ARG N N 8 121.454 121.454 124.772 -3.318 19792 36 1 1 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.656 -0.553 19792 37 1 1 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.718 -0.010 19792 38 1 1 . 1 1 8 8 ARG CB C 8 27.813 27.813 31.758 -3.945 19792 39 1 1 . 1 1 8 8 ARG H H 8 8.168 8.168 8.534 -0.366 19792 40 1 1 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.688 -0.275 19792 41 1 1 . 1 1 9 9 PRO C C 9 174.662 174.662 176.639 -1.977 19792 42 1 1 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.682 -1.876 19792 43 1 1 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.818 -1.347 19792 44 1 1 . 1 1 10 10 GLY N N 10 108.287 108.287 110.228 -1.941 19792 45 1 1 . 1 1 10 10 GLY C C 10 169.715 169.715 173.585 -3.870 19792 46 1 1 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.155 -2.626 19792 47 1 1 . 1 1 10 10 GLY H H 10 8.769 8.769 8.316 0.453 19792 48 1 1 . 1 1 11 11 LYS N N 11 122.177 122.177 120.913 1.264 19792 49 1 1 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.696 0.168 19792 50 1 1 . 1 1 11 11 LYS C C 11 172.419 172.419 175.868 -3.449 19792 51 1 1 . 1 1 11 11 LYS CA C 11 53.417 53.417 56.782 -3.365 19792 52 1 1 . 1 1 11 11 LYS CB C 11 32.058 32.058 33.423 -1.365 19792 53 1 1 . 1 1 11 11 LYS H H 11 7.753 7.753 7.715 0.038 19792 54 1 1 . 1 1 12 12 LEU N N 12 127.116 127.116 124.666 2.450 19792 55 1 1 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.829 0.110 19792 56 1 1 . 1 1 12 12 LEU C C 12 173.185 173.185 175.779 -2.594 19792 57 1 1 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.456 -3.155 19792 58 1 1 . 1 1 12 12 LEU CB C 12 42.075 42.075 46.243 -4.168 19792 59 1 1 . 1 1 12 12 LEU H H 12 9.465 9.465 8.252 1.213 19792 60 1 1 . 1 1 13 13 PHE N N 13 122.922 122.922 120.971 1.951 19792 61 1 1 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.970 -0.258 19792 62 1 1 . 1 1 13 13 PHE C C 13 170.330 170.330 173.383 -3.053 19792 63 1 1 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.093 -3.052 19792 64 1 1 . 1 1 13 13 PHE CB C 13 38.520 38.520 42.847 -4.327 19792 65 1 1 . 1 1 13 13 PHE H H 13 9.213 9.213 8.263 0.950 19792 66 1 1 . 1 1 14 14 ILE N N 14 128.128 128.128 126.499 1.629 19792 67 1 1 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.350 -0.535 19792 68 1 1 . 1 1 14 14 ILE C C 14 171.441 171.441 175.452 -4.011 19792 69 1 1 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.115 -3.704 19792 70 1 1 . 1 1 14 14 ILE CB C 14 36.448 36.448 41.475 -5.027 19792 71 1 1 . 1 1 14 14 ILE H H 14 8.304 8.304 7.897 0.407 19792 72 1 1 . 1 1 15 15 GLY N N 15 110.945 110.945 110.567 0.378 19792 73 1 1 . 1 1 15 15 GLY C C 15 170.863 170.863 174.089 -3.226 19792 74 1 1 . 1 1 15 15 GLY CA C 15 40.913 40.913 44.277 -3.364 19792 75 1 1 . 1 1 15 15 GLY H H 15 8.965 8.965 8.392 0.573 19792 76 1 1 . 1 1 16 16 GLY N N 16 107.025 107.025 107.248 -0.223 19792 77 1 1 . 1 1 16 16 GLY C C 16 172.134 172.134 174.409 -2.275 19792 78 1 1 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.354 -2.492 19792 79 1 1 . 1 1 16 16 GLY H H 16 7.865 7.865 8.326 -0.461 19792 80 1 1 . 1 1 17 17 LEU N N 17 115.104 115.104 118.789 -3.685 19792 81 1 1 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.158 -0.246 19792 82 1 1 . 1 1 17 17 LEU C C 17 176.024 176.024 176.927 -0.903 19792 83 1 1 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.918 -3.335 19792 84 1 1 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.352 -2.183 19792 85 1 1 . 1 1 17 17 LEU H H 17 7.521 7.521 7.307 0.214 19792 86 1 1 . 1 1 18 18 ASN N N 18 120.666 120.666 117.277 3.389 19792 87 1 1 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.581 -0.195 19792 88 1 1 . 1 1 18 18 ASN C C 18 176.199 176.199 176.366 -0.167 19792 89 1 1 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.761 -3.459 19792 90 1 1 . 1 1 18 18 ASN CB C 18 35.692 35.692 39.700 -4.008 19792 91 1 1 . 1 1 18 18 ASN H H 18 9.528 9.528 8.666 0.862 19792 92 1 1 . 1 1 19 19 THR N N 19 123.230 123.230 108.139 15.091 19792 93 1 1 . 1 1 19 19 THR HA H 19 3.699 3.699 4.432 -0.733 19792 94 1 1 . 1 1 19 19 THR C C 19 172.195 172.195 174.549 -2.354 19792 95 1 1 . 1 1 19 19 THR CA C 19 62.512 62.512 63.064 -0.552 19792 96 1 1 . 1 1 19 19 THR CB C 19 65.438 65.438 69.510 -4.072 19792 97 1 1 . 1 1 19 19 THR H H 19 8.809 8.809 8.282 0.527 19792 98 1 1 . 1 1 20 20 GLU N N 20 118.055 118.055 121.535 -3.480 19792 99 1 1 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.605 -0.429 19792 100 1 1 . 1 1 20 20 GLU C C 20 174.826 174.826 175.654 -0.828 19792 101 1 1 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.391 -2.210 19792 102 1 1 . 1 1 20 20 GLU CB C 20 27.076 27.076 29.357 -2.281 19792 103 1 1 . 1 1 20 20 GLU H H 20 8.703 8.703 8.306 0.397 19792 104 1 1 . 1 1 21 21 THR N N 21 119.209 119.209 116.203 3.006 19792 105 1 1 . 1 1 21 21 THR HA H 21 3.930 3.930 4.607 -0.677 19792 106 1 1 . 1 1 21 21 THR C C 21 171.688 171.688 172.395 -0.707 19792 107 1 1 . 1 1 21 21 THR CA C 21 61.882 61.882 61.674 0.208 19792 108 1 1 . 1 1 21 21 THR CB C 21 65.397 65.397 69.951 -4.554 19792 109 1 1 . 1 1 21 21 THR H H 21 7.514 7.514 7.599 -0.086 19792 110 1 1 . 1 1 22 22 ASN N N 22 126.624 126.624 118.429 8.195 19792 111 1 1 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.848 -0.079 19792 112 1 1 . 1 1 22 22 ASN C C 22 172.032 172.032 175.758 -3.726 19792 113 1 1 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.051 -4.345 19792 114 1 1 . 1 1 22 22 ASN CB C 22 37.373 37.373 39.977 -2.604 19792 115 1 1 . 1 1 22 22 ASN H H 22 8.031 8.031 8.162 -0.131 19792 116 1 1 . 1 1 23 23 GLU N N 23 118.056 118.056 120.717 -2.661 19792 117 1 1 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.781 -0.214 19792 118 1 1 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.399 -1.615 19792 119 1 1 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.378 -3.516 19792 120 1 1 . 1 1 23 23 GLU H H 23 10.151 10.151 8.831 1.320 19792 121 1 1 . 1 1 24 24 LYS N N 24 118.897 118.897 117.341 1.556 19792 122 1 1 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.223 -0.218 19792 123 1 1 . 1 1 24 24 LYS C C 24 176.843 176.843 178.226 -1.383 19792 124 1 1 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.731 -3.000 19792 125 1 1 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.986 -2.615 19792 126 1 1 . 1 1 24 24 LYS H H 24 7.839 7.839 8.199 -0.360 19792 127 1 1 . 1 1 25 25 ALA N N 25 123.210 123.210 121.270 1.940 19792 128 1 1 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.265 -0.096 19792 129 1 1 . 1 1 25 25 ALA C C 25 178.048 178.048 179.354 -1.306 19792 130 1 1 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.224 -2.356 19792 131 1 1 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.663 -2.524 19792 132 1 1 . 1 1 25 25 ALA H H 25 7.827 7.827 8.008 -0.181 19792 133 1 1 . 1 1 26 26 LEU N N 26 116.466 116.466 119.254 -2.788 19792 134 1 1 . 1 1 26 26 LEU HA H 26 4.024 4.024 3.990 0.034 19792 135 1 1 . 1 1 26 26 LEU C C 26 176.375 176.375 178.816 -2.441 19792 136 1 1 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.109 -2.151 19792 137 1 1 . 1 1 26 26 LEU CB C 26 39.701 39.701 40.817 -1.116 19792 138 1 1 . 1 1 26 26 LEU H H 26 7.652 7.652 7.719 -0.067 19792 139 1 1 . 1 1 27 27 GLU N N 27 119.789 119.789 118.969 0.820 19792 140 1 1 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.857 -0.266 19792 141 1 1 . 1 1 27 27 GLU C C 27 176.206 176.206 178.950 -2.744 19792 142 1 1 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.748 -2.675 19792 143 1 1 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.136 -2.069 19792 144 1 1 . 1 1 27 27 GLU H H 27 8.480 8.480 8.094 0.386 19792 145 1 1 . 1 1 28 28 ALA N N 28 120.599 120.599 121.513 -0.914 19792 146 1 1 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.169 -0.130 19792 147 1 1 . 1 1 28 28 ALA C C 28 177.506 177.506 178.704 -1.198 19792 148 1 1 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.529 -2.622 19792 149 1 1 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.435 -3.028 19792 150 1 1 . 1 1 28 28 ALA H H 28 7.837 7.837 7.569 0.268 19792 151 1 1 . 1 1 29 29 VAL N N 29 115.536 115.536 117.722 -2.186 19792 152 1 1 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.695 0.131 19792 153 1 1 . 1 1 29 29 VAL C C 29 174.998 174.998 176.688 -1.690 19792 154 1 1 . 1 1 29 29 VAL CA C 29 61.999 61.999 65.857 -3.858 19792 155 1 1 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.848 -1.970 19792 156 1 1 . 1 1 29 29 VAL H H 29 7.626 7.626 7.228 0.398 19792 157 1 1 . 1 1 30 30 PHE N N 30 115.465 115.465 115.558 -0.093 19792 158 1 1 . 1 1 30 30 PHE HA H 30 4.482 4.482 5.205 -0.723 19792 159 1 1 . 1 1 30 30 PHE C C 30 174.725 174.725 178.011 -3.286 19792 160 1 1 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.421 1.207 19792 161 1 1 . 1 1 30 30 PHE CB C 30 35.394 35.394 40.183 -4.789 19792 162 1 1 . 1 1 30 30 PHE H H 30 8.514 8.514 8.386 0.128 19792 163 1 1 . 1 1 31 31 GLY N N 31 108.299 108.299 109.544 -1.245 19792 164 1 1 . 1 1 31 31 GLY C C 31 172.455 172.455 175.465 -3.010 19792 165 1 1 . 1 1 31 31 GLY CA C 31 43.505 43.505 47.580 -4.075 19792 166 1 1 . 1 1 31 31 GLY H H 31 8.294 8.294 8.615 -0.321 19792 167 1 1 . 1 1 32 32 LYS N N 32 117.309 117.309 120.450 -3.141 19792 168 1 1 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.032 -0.105 19792 169 1 1 . 1 1 32 32 LYS C C 32 174.779 174.779 177.190 -2.411 19792 170 1 1 . 1 1 32 32 LYS CA C 32 54.700 54.700 58.230 -3.530 19792 171 1 1 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.204 -2.269 19792 172 1 1 . 1 1 32 32 LYS H H 32 6.846 6.846 8.232 -1.386 19792 173 1 1 . 1 1 33 33 TYR N N 33 115.635 115.635 118.477 -2.842 19792 174 1 1 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.470 -0.353 19792 175 1 1 . 1 1 33 33 TYR C C 33 171.935 171.935 175.621 -3.686 19792 176 1 1 . 1 1 33 33 TYR CA C 33 56.609 56.609 59.740 -3.131 19792 177 1 1 . 1 1 33 33 TYR CB C 33 35.735 35.735 39.393 -3.658 19792 178 1 1 . 1 1 33 33 TYR H H 33 7.593 7.593 7.794 -0.201 19792 179 1 1 . 1 1 34 34 GLY N N 34 104.503 104.503 104.472 0.031 19792 180 1 1 . 1 1 34 34 GLY C C 34 168.962 168.962 173.466 -4.504 19792 181 1 1 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.112 -3.550 19792 182 1 1 . 1 1 34 34 GLY H H 34 7.253 7.253 7.681 -0.428 19792 183 1 1 . 1 1 35 35 ARG N N 35 116.679 116.679 117.442 -0.763 19792 184 1 1 . 1 1 35 35 ARG HA H 35 4.115 4.115 3.943 0.172 19792 185 1 1 . 1 1 35 35 ARG C C 35 174.272 174.272 174.061 0.211 19792 186 1 1 . 1 1 35 35 ARG CA C 35 54.785 54.785 57.200 -2.415 19792 187 1 1 . 1 1 35 35 ARG CB C 35 27.958 27.958 30.710 -2.752 19792 188 1 1 . 1 1 35 35 ARG H H 35 8.196 8.196 8.500 -0.304 19792 189 1 1 . 1 1 36 36 ILE N N 36 128.885 128.885 120.570 8.315 19792 190 1 1 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.292 -0.465 19792 191 1 1 . 1 1 36 36 ILE C C 36 173.725 173.725 176.465 -2.740 19792 192 1 1 . 1 1 36 36 ILE CA C 36 57.740 57.740 60.461 -2.721 19792 193 1 1 . 1 1 36 36 ILE CB C 36 37.006 37.006 39.582 -2.576 19792 194 1 1 . 1 1 36 36 ILE H H 36 8.760 8.760 8.370 0.390 19792 195 1 1 . 1 1 37 37 VAL N N 37 122.612 122.612 120.276 2.336 19792 196 1 1 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.339 -0.256 19792 197 1 1 . 1 1 37 37 VAL C C 37 172.917 172.917 175.442 -2.525 19792 198 1 1 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.761 -2.416 19792 199 1 1 . 1 1 37 37 VAL CB C 37 30.375 30.375 32.850 -2.475 19792 200 1 1 . 1 1 37 37 VAL H H 37 8.751 8.751 8.288 0.463 19792 201 1 1 . 1 1 38 38 GLU N N 38 118.683 118.683 120.596 -1.913 19792 202 1 1 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.418 -0.050 19792 203 1 1 . 1 1 38 38 GLU C C 38 170.647 170.647 173.804 -3.157 19792 204 1 1 . 1 1 38 38 GLU CA C 38 53.636 53.636 56.395 -2.759 19792 205 1 1 . 1 1 38 38 GLU CB C 38 31.112 31.112 32.348 -1.236 19792 206 1 1 . 1 1 38 38 GLU H H 38 7.075 7.075 7.760 -0.685 19792 207 1 1 . 1 1 39 39 VAL N N 39 125.880 125.880 125.506 0.374 19792 208 1 1 . 1 1 39 39 VAL HA H 39 4.319 4.319 3.955 0.364 19792 209 1 1 . 1 1 39 39 VAL C C 39 170.693 170.693 174.371 -3.678 19792 210 1 1 . 1 1 39 39 VAL CA C 39 59.056 59.056 60.829 -1.773 19792 211 1 1 . 1 1 39 39 VAL CB C 39 31.077 31.077 33.886 -2.809 19792 212 1 1 . 1 1 39 39 VAL H H 39 8.509 8.509 8.393 0.116 19792 213 1 1 . 1 1 40 40 LEU N N 40 129.331 129.331 127.029 2.302 19792 214 1 1 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.623 0.052 19792 215 1 1 . 1 1 40 40 LEU C C 40 171.627 171.627 174.853 -3.226 19792 216 1 1 . 1 1 40 40 LEU CA C 40 50.744 50.744 53.346 -2.602 19792 217 1 1 . 1 1 40 40 LEU CB C 40 42.066 42.066 43.171 -1.105 19792 218 1 1 . 1 1 40 40 LEU H H 40 8.928 8.928 8.550 0.378 19792 219 1 1 . 1 1 41 41 LEU N N 41 128.574 128.574 126.823 1.751 19792 220 1 1 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.770 -0.430 19792 221 1 1 . 1 1 41 41 LEU C C 41 172.935 172.935 175.375 -2.440 19792 222 1 1 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.540 -3.664 19792 223 1 1 . 1 1 41 41 LEU CB C 41 41.547 41.547 43.724 -2.177 19792 224 1 1 . 1 1 41 41 LEU H H 41 9.023 9.023 8.873 0.150 19792 225 1 1 . 1 1 42 42 MET N N 42 125.617 125.617 118.574 7.043 19792 226 1 1 . 1 1 42 42 MET HA H 42 4.357 4.357 4.819 -0.462 19792 227 1 1 . 1 1 42 42 MET C C 42 172.606 172.606 173.973 -1.367 19792 228 1 1 . 1 1 42 42 MET CA C 42 51.857 51.857 54.565 -2.708 19792 229 1 1 . 1 1 42 42 MET CB C 42 27.700 27.700 35.948 -8.248 19792 230 1 1 . 1 1 42 42 MET H H 42 7.988 7.988 8.476 -0.488 19792 231 1 1 . 1 1 43 43 LYS N N 43 121.956 121.956 121.023 0.933 19792 232 1 1 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.484 0.275 19792 233 1 1 . 1 1 43 43 LYS C C 43 173.591 173.591 175.013 -1.422 19792 234 1 1 . 1 1 43 43 LYS CA C 43 51.608 51.608 54.785 -3.178 19792 235 1 1 . 1 1 43 43 LYS CB C 43 33.447 33.447 35.692 -2.245 19792 236 1 1 . 1 1 43 43 LYS H H 43 8.289 8.289 8.379 -0.090 19792 237 1 1 . 1 1 44 44 ASP N N 44 123.608 123.608 121.010 2.598 19792 238 1 1 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.706 -0.235 19792 239 1 1 . 1 1 44 44 ASP C C 44 174.790 174.790 176.378 -1.588 19792 240 1 1 . 1 1 44 44 ASP CA C 44 51.279 51.279 54.058 -2.779 19792 241 1 1 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.328 -2.151 19792 242 1 1 . 1 1 44 44 ASP H H 44 8.693 8.693 8.836 -0.143 19792 243 1 1 . 1 1 45 45 ARG N N 45 126.884 126.884 118.041 8.843 19792 244 1 1 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.524 -0.548 19792 245 1 1 . 1 1 45 45 ARG C C 45 174.578 174.578 176.993 -2.415 19792 246 1 1 . 1 1 45 45 ARG CA C 45 55.637 55.637 56.411 -0.774 19792 247 1 1 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.356 -2.812 19792 248 1 1 . 1 1 45 45 ARG H H 45 8.875 8.875 8.533 0.342 19792 249 1 1 . 1 1 46 46 GLU N N 46 117.313 117.313 122.983 -5.670 19792 250 1 1 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.140 0.042 19792 251 1 1 . 1 1 46 46 GLU C C 46 175.625 175.625 177.395 -1.770 19792 252 1 1 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.791 -3.163 19792 253 1 1 . 1 1 46 46 GLU CB C 46 27.597 27.597 30.375 -2.778 19792 254 1 1 . 1 1 46 46 GLU H H 46 8.561 8.561 8.583 -0.022 19792 255 1 1 . 1 1 47 47 THR N N 47 107.019 107.019 110.279 -3.260 19792 256 1 1 . 1 1 47 47 THR HA H 47 4.277 4.277 4.419 -0.142 19792 257 1 1 . 1 1 47 47 THR C C 47 173.242 173.242 173.263 -0.021 19792 258 1 1 . 1 1 47 47 THR CA C 47 58.709 58.709 62.338 -3.629 19792 259 1 1 . 1 1 47 47 THR CB C 47 67.971 67.971 68.854 -0.883 19792 260 1 1 . 1 1 47 47 THR H H 47 8.053 8.053 7.806 0.247 19792 261 1 1 . 1 1 48 48 ASN N N 48 117.468 117.468 115.747 1.721 19792 262 1 1 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.259 0.076 19792 263 1 1 . 1 1 48 48 ASN C C 48 171.106 171.106 174.195 -3.089 19792 264 1 1 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.479 -2.349 19792 265 1 1 . 1 1 48 48 ASN CB C 48 35.645 35.645 37.596 -1.951 19792 266 1 1 . 1 1 48 48 ASN H H 48 8.230 8.230 8.459 -0.229 19792 267 1 1 . 1 1 49 49 LYS N N 49 117.523 117.523 118.478 -0.955 19792 268 1 1 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.027 0.269 19792 269 1 1 . 1 1 49 49 LYS C C 49 173.910 173.910 177.377 -3.467 19792 270 1 1 . 1 1 49 49 LYS CA C 49 52.763 52.763 57.219 -4.456 19792 271 1 1 . 1 1 49 49 LYS CB C 49 31.039 31.039 32.929 -1.890 19792 272 1 1 . 1 1 49 49 LYS H H 49 7.517 7.517 7.792 -0.275 19792 273 1 1 . 1 1 50 50 SER N N 50 115.960 115.960 117.200 -1.240 19792 274 1 1 . 1 1 50 50 SER HA H 50 4.197 4.197 4.254 -0.057 19792 275 1 1 . 1 1 50 50 SER C C 50 173.417 173.417 175.073 -1.656 19792 276 1 1 . 1 1 50 50 SER CA C 50 55.614 55.614 59.447 -3.833 19792 277 1 1 . 1 1 50 50 SER CB C 50 61.524 61.524 63.424 -1.900 19792 278 1 1 . 1 1 50 50 SER H H 50 8.705 8.705 8.342 0.363 19792 279 1 1 . 1 1 51 51 ARG N N 51 124.058 124.058 122.269 1.789 19792 280 1 1 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.466 -0.158 19792 281 1 1 . 1 1 51 51 ARG C C 51 174.657 174.657 177.192 -2.535 19792 282 1 1 . 1 1 51 51 ARG CA C 51 53.393 53.393 54.670 -1.278 19792 283 1 1 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.981 -2.202 19792 284 1 1 . 1 1 51 51 ARG H H 51 9.023 9.023 7.508 1.515 19792 285 1 1 . 1 1 52 52 GLY N N 52 106.703 106.703 109.615 -2.912 19792 286 1 1 . 1 1 52 52 GLY C C 52 168.863 168.863 173.055 -4.192 19792 287 1 1 . 1 1 52 52 GLY CA C 52 42.919 42.919 44.698 -1.779 19792 288 1 1 . 1 1 52 52 GLY H H 52 9.129 9.129 8.857 0.272 19792 289 1 1 . 1 1 53 53 PHE N N 53 112.307 112.307 114.605 -2.298 19792 290 1 1 . 1 1 53 53 PHE HA H 53 5.243 5.243 4.980 0.263 19792 291 1 1 . 1 1 53 53 PHE C C 53 169.552 169.552 172.514 -2.962 19792 292 1 1 . 1 1 53 53 PHE CA C 53 52.095 52.095 55.993 -3.898 19792 293 1 1 . 1 1 53 53 PHE CB C 53 38.914 38.914 40.864 -1.950 19792 294 1 1 . 1 1 53 53 PHE H H 53 6.845 6.845 7.334 -0.489 19792 295 1 1 . 1 1 54 54 ALA N N 54 120.987 120.987 120.495 0.492 19792 296 1 1 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.557 0.337 19792 297 1 1 . 1 1 54 54 ALA C C 54 171.062 171.062 174.149 -3.087 19792 298 1 1 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.760 -4.710 19792 299 1 1 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.368 0.458 19792 300 1 1 . 1 1 54 54 ALA H H 54 8.970 8.970 8.032 0.938 19792 301 1 1 . 1 1 55 55 PHE N N 55 114.157 114.157 118.964 -4.807 19792 302 1 1 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.933 0.835 19792 303 1 1 . 1 1 55 55 PHE C C 55 173.605 173.605 173.114 0.491 19792 304 1 1 . 1 1 55 55 PHE CA C 55 53.080 53.080 55.873 -2.792 19792 305 1 1 . 1 1 55 55 PHE CB C 55 40.029 40.029 42.855 -2.825 19792 306 1 1 . 1 1 55 55 PHE H H 55 8.837 8.837 8.620 0.217 19792 307 1 1 . 1 1 56 56 VAL N N 56 123.812 123.812 125.872 -2.060 19792 308 1 1 . 1 1 56 56 VAL HA H 56 4.474 4.474 3.927 0.547 19792 309 1 1 . 1 1 56 56 VAL C C 56 171.401 171.401 174.196 -2.795 19792 310 1 1 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.704 -2.856 19792 311 1 1 . 1 1 56 56 VAL CB C 56 32.527 32.527 36.040 -3.513 19792 312 1 1 . 1 1 56 56 VAL H H 56 8.558 8.558 8.371 0.187 19792 313 1 1 . 1 1 57 57 THR N N 57 123.000 123.000 118.659 4.341 19792 314 1 1 . 1 1 57 57 THR HA H 57 4.974 4.974 5.208 -0.234 19792 315 1 1 . 1 1 57 57 THR C C 57 171.340 171.340 173.249 -1.909 19792 316 1 1 . 1 1 57 57 THR CA C 57 58.659 58.659 60.161 -1.502 19792 317 1 1 . 1 1 57 57 THR CB C 57 66.662 66.662 71.280 -4.618 19792 318 1 1 . 1 1 57 57 THR H H 57 8.808 8.808 7.997 0.811 19792 319 1 1 . 1 1 58 58 PHE N N 58 128.385 128.385 118.793 9.592 19792 320 1 1 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.975 -0.292 19792 321 1 1 . 1 1 58 58 PHE C C 58 172.367 172.367 175.846 -3.479 19792 322 1 1 . 1 1 58 58 PHE CA C 58 55.449 55.449 56.649 -1.200 19792 323 1 1 . 1 1 58 58 PHE CB C 58 37.909 37.909 42.411 -4.502 19792 324 1 1 . 1 1 58 58 PHE H H 58 8.835 8.835 8.120 0.715 19792 325 1 1 . 1 1 59 59 GLU N N 59 121.627 121.627 121.071 0.556 19792 326 1 1 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.023 -0.257 19792 327 1 1 . 1 1 59 59 GLU C C 59 173.666 173.666 175.757 -2.091 19792 328 1 1 . 1 1 59 59 GLU CA C 59 56.293 56.293 59.208 -2.915 19792 329 1 1 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.580 -2.793 19792 330 1 1 . 1 1 59 59 GLU H H 59 8.067 8.067 8.437 -0.370 19792 331 1 1 . 1 1 60 60 SER N N 60 112.302 112.302 110.406 1.896 19792 332 1 1 . 1 1 60 60 SER HA H 60 5.163 5.163 4.971 0.192 19792 333 1 1 . 1 1 60 60 SER CA C 60 50.137 50.137 54.272 -4.135 19792 334 1 1 . 1 1 60 60 SER CB C 60 61.350 61.350 64.791 -3.441 19792 335 1 1 . 1 1 60 60 SER H H 60 9.333 9.333 7.908 1.425 19792 336 1 1 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.641 -0.643 19792 337 1 1 . 1 1 61 61 PRO CA C 61 61.850 61.850 64.719 -2.869 19792 338 1 1 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.116 -2.725 19792 339 1 1 . 1 1 62 62 ALA N N 62 121.088 121.088 120.129 0.959 19792 340 1 1 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.109 -0.177 19792 341 1 1 . 1 1 62 62 ALA C C 62 176.826 176.826 178.725 -1.899 19792 342 1 1 . 1 1 62 62 ALA CA C 62 52.266 52.266 54.586 -2.320 19792 343 1 1 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.698 -3.080 19792 344 1 1 . 1 1 62 62 ALA H H 62 7.821 7.821 7.766 0.055 19792 345 1 1 . 1 1 63 63 ASP N N 63 120.099 120.099 118.604 1.495 19792 346 1 1 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.518 -0.426 19792 347 1 1 . 1 1 63 63 ASP C C 63 174.505 174.505 177.303 -2.798 19792 348 1 1 . 1 1 63 63 ASP CA C 63 53.809 53.809 56.439 -2.630 19792 349 1 1 . 1 1 63 63 ASP CB C 63 37.374 37.374 41.111 -3.737 19792 350 1 1 . 1 1 63 63 ASP H H 63 6.960 6.960 7.620 -0.660 19792 351 1 1 . 1 1 64 64 ALA N N 64 119.533 119.533 122.895 -3.362 19792 352 1 1 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.377 -0.236 19792 353 1 1 . 1 1 64 64 ALA C C 64 176.037 176.037 178.508 -2.471 19792 354 1 1 . 1 1 64 64 ALA CA C 64 51.399 51.399 54.855 -3.456 19792 355 1 1 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.822 -3.257 19792 356 1 1 . 1 1 64 64 ALA H H 64 6.771 6.771 7.880 -1.109 19792 357 1 1 . 1 1 65 65 LYS N N 65 117.395 117.395 117.011 0.384 19792 358 1 1 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.962 -0.235 19792 359 1 1 . 1 1 65 65 LYS C C 65 176.716 176.716 178.791 -2.075 19792 360 1 1 . 1 1 65 65 LYS CA C 65 56.684 56.684 58.927 -2.243 19792 361 1 1 . 1 1 65 65 LYS CB C 65 29.183 29.183 31.924 -2.741 19792 362 1 1 . 1 1 65 65 LYS H H 65 7.478 7.478 7.991 -0.513 19792 363 1 1 . 1 1 66 66 ASP N N 66 120.839 120.839 120.620 0.219 19792 364 1 1 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.421 -0.238 19792 365 1 1 . 1 1 66 66 ASP C C 66 175.111 175.111 177.843 -2.732 19792 366 1 1 . 1 1 66 66 ASP CA C 66 54.430 54.430 57.205 -2.775 19792 367 1 1 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.410 -2.690 19792 368 1 1 . 1 1 66 66 ASP H H 66 7.403 7.403 7.782 -0.379 19792 369 1 1 . 1 1 67 67 ALA N N 67 122.056 122.056 119.950 2.106 19792 370 1 1 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.643 -1.483 19792 371 1 1 . 1 1 67 67 ALA C C 67 176.448 176.448 177.420 -0.972 19792 372 1 1 . 1 1 67 67 ALA CA C 67 51.299 51.299 53.340 -2.041 19792 373 1 1 . 1 1 67 67 ALA CB C 67 17.253 17.253 17.921 -0.668 19792 374 1 1 . 1 1 67 67 ALA H H 67 7.737 7.737 7.129 0.608 19792 375 1 1 . 1 1 68 68 ALA N N 68 118.624 118.624 118.567 0.057 19792 376 1 1 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.560 -0.861 19792 377 1 1 . 1 1 68 68 ALA C C 68 176.619 176.619 178.008 -1.389 19792 378 1 1 . 1 1 68 68 ALA CA C 68 52.280 52.280 51.711 0.569 19792 379 1 1 . 1 1 68 68 ALA CB C 68 14.849 14.849 19.609 -4.760 19792 380 1 1 . 1 1 68 68 ALA H H 68 8.108 8.108 7.237 0.871 19792 381 1 1 . 1 1 69 69 ARG N N 69 116.265 116.265 117.031 -0.766 19792 382 1 1 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.460 -0.528 19792 383 1 1 . 1 1 69 69 ARG C C 69 175.857 175.857 175.997 -0.140 19792 384 1 1 . 1 1 69 69 ARG CA C 69 55.734 55.734 56.288 -0.554 19792 385 1 1 . 1 1 69 69 ARG CB C 69 27.249 27.249 30.919 -3.670 19792 386 1 1 . 1 1 69 69 ARG H H 69 7.599 7.599 7.770 -0.171 19792 387 1 1 . 1 1 70 70 ASP N N 70 116.202 116.202 118.380 -2.178 19792 388 1 1 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.586 -0.031 19792 389 1 1 . 1 1 70 70 ASP C C 70 174.867 174.867 177.212 -2.345 19792 390 1 1 . 1 1 70 70 ASP CA C 70 53.314 53.314 54.854 -1.540 19792 391 1 1 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.631 -1.792 19792 392 1 1 . 1 1 70 70 ASP H H 70 7.657 7.657 7.894 -0.237 19792 393 1 1 . 1 1 71 71 MET N N 71 111.561 111.561 119.046 -7.485 19792 394 1 1 . 1 1 71 71 MET HA H 71 4.742 4.742 4.272 0.470 19792 395 1 1 . 1 1 71 71 MET C C 71 175.174 175.174 175.142 0.032 19792 396 1 1 . 1 1 71 71 MET CA C 71 50.378 50.378 56.954 -6.576 19792 397 1 1 . 1 1 71 71 MET CB C 71 29.047 29.047 32.697 -3.650 19792 398 1 1 . 1 1 71 71 MET H H 71 8.069 8.069 7.912 0.157 19792 399 1 1 . 1 1 72 72 ASN N N 72 116.196 116.196 117.108 -0.912 19792 400 1 1 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.644 -0.363 19792 401 1 1 . 1 1 72 72 ASN C C 72 173.812 173.812 175.445 -1.633 19792 402 1 1 . 1 1 72 72 ASN CA C 72 53.826 53.826 53.881 -0.055 19792 403 1 1 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.430 -2.545 19792 404 1 1 . 1 1 72 72 ASN H H 72 7.442 7.442 7.726 -0.284 19792 405 1 1 . 1 1 73 73 GLY N N 73 116.956 116.956 109.072 7.884 19792 406 1 1 . 1 1 73 73 GLY C C 73 171.629 171.629 173.830 -2.201 19792 407 1 1 . 1 1 73 73 GLY CA C 73 43.091 43.091 45.881 -2.790 19792 408 1 1 . 1 1 73 73 GLY H H 73 8.884 8.884 8.684 0.200 19792 409 1 1 . 1 1 74 74 LYS N N 74 120.829 120.829 119.820 1.009 19792 410 1 1 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.764 -0.524 19792 411 1 1 . 1 1 74 74 LYS C C 74 172.132 172.132 175.049 -2.917 19792 412 1 1 . 1 1 74 74 LYS CA C 74 52.333 52.333 53.938 -1.605 19792 413 1 1 . 1 1 74 74 LYS CB C 74 30.131 30.131 34.842 -4.711 19792 414 1 1 . 1 1 74 74 LYS H H 74 7.797 7.797 7.793 0.004 19792 415 1 1 . 1 1 75 75 SER N N 75 112.883 112.883 116.107 -3.224 19792 416 1 1 . 1 1 75 75 SER HA H 75 4.940 4.940 5.339 -0.399 19792 417 1 1 . 1 1 75 75 SER C C 75 171.838 171.838 174.091 -2.253 19792 418 1 1 . 1 1 75 75 SER CA C 75 54.722 54.722 58.486 -3.764 19792 419 1 1 . 1 1 75 75 SER CB C 75 61.242 61.242 64.552 -3.310 19792 420 1 1 . 1 1 75 75 SER H H 75 8.037 8.037 8.350 -0.313 19792 421 1 1 . 1 1 76 76 LEU N N 76 127.669 127.669 123.367 4.302 19792 422 1 1 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.636 -0.200 19792 423 1 1 . 1 1 76 76 LEU C C 76 173.849 173.849 175.918 -2.069 19792 424 1 1 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.486 -3.711 19792 425 1 1 . 1 1 76 76 LEU CB C 76 41.886 41.886 45.115 -3.229 19792 426 1 1 . 1 1 76 76 LEU H H 76 8.988 8.988 8.856 0.132 19792 427 1 1 . 1 1 77 77 ASP N N 77 129.054 129.054 124.497 4.557 19792 428 1 1 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.335 -0.161 19792 429 1 1 . 1 1 77 77 ASP C C 77 173.415 173.415 176.021 -2.606 19792 430 1 1 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.261 -2.385 19792 431 1 1 . 1 1 77 77 ASP CB C 77 36.413 36.413 39.535 -3.123 19792 432 1 1 . 1 1 77 77 ASP H H 77 9.523 9.523 9.101 0.422 19792 433 1 1 . 1 1 78 78 GLY N N 78 101.915 101.915 101.848 0.067 19792 434 1 1 . 1 1 78 78 GLY C C 78 170.989 170.989 174.607 -3.618 19792 435 1 1 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.253 -2.484 19792 436 1 1 . 1 1 78 78 GLY H H 78 8.396 8.396 8.579 -0.183 19792 437 1 1 . 1 1 79 79 LYS N N 79 119.791 119.791 120.525 -0.734 19792 438 1 1 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.774 -0.228 19792 439 1 1 . 1 1 79 79 LYS C C 79 171.513 171.513 174.782 -3.269 19792 440 1 1 . 1 1 79 79 LYS CA C 79 50.277 50.277 53.791 -3.514 19792 441 1 1 . 1 1 79 79 LYS CB C 79 31.955 31.955 34.546 -2.591 19792 442 1 1 . 1 1 79 79 LYS H H 79 7.269 7.269 7.783 -0.514 19792 443 1 1 . 1 1 80 80 ALA N N 80 125.002 125.002 124.073 0.929 19792 444 1 1 . 1 1 80 80 ALA HA H 80 4.365 4.365 5.057 -0.692 19792 445 1 1 . 1 1 80 80 ALA C C 80 175.007 175.007 176.371 -1.364 19792 446 1 1 . 1 1 80 80 ALA CA C 80 48.381 48.381 50.789 -2.408 19792 447 1 1 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.991 -3.776 19792 448 1 1 . 1 1 80 80 ALA H H 80 8.235 8.235 8.673 -0.438 19792 449 1 1 . 1 1 81 81 ILE N N 81 119.947 119.947 119.791 0.156 19792 450 1 1 . 1 1 81 81 ILE HA H 81 4.614 4.614 5.221 -0.607 19792 451 1 1 . 1 1 81 81 ILE C C 81 172.389 172.389 174.889 -2.500 19792 452 1 1 . 1 1 81 81 ILE CA C 81 57.921 57.921 59.620 -1.700 19792 453 1 1 . 1 1 81 81 ILE CB C 81 37.547 37.547 40.499 -2.952 19792 454 1 1 . 1 1 81 81 ILE H H 81 8.204 8.204 8.754 -0.550 19792 455 1 1 . 1 1 82 82 LYS N N 82 123.700 123.700 122.505 1.195 19792 456 1 1 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.796 0.050 19792 457 1 1 . 1 1 82 82 LYS C C 82 172.571 172.571 174.770 -2.199 19792 458 1 1 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.180 -3.839 19792 459 1 1 . 1 1 82 82 LYS CB C 82 31.948 31.948 36.674 -4.726 19792 460 1 1 . 1 1 82 82 LYS H H 82 8.460 8.460 8.686 -0.226 19792 461 1 1 . 1 1 83 83 VAL N N 83 123.707 123.707 121.062 2.645 19792 462 1 1 . 1 1 83 83 VAL HA H 83 5.068 5.068 5.173 -0.105 19792 463 1 1 . 1 1 83 83 VAL C C 83 171.831 171.831 175.462 -3.631 19792 464 1 1 . 1 1 83 83 VAL CA C 83 57.954 57.954 60.551 -2.597 19792 465 1 1 . 1 1 83 83 VAL CB C 83 31.979 31.979 35.453 -3.474 19792 466 1 1 . 1 1 83 83 VAL H H 83 8.653 8.653 8.501 0.152 19792 467 1 1 . 1 1 84 84 GLU N N 84 123.150 123.150 122.984 0.166 19792 468 1 1 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.753 -0.069 19792 469 1 1 . 1 1 84 84 GLU C C 84 172.141 172.141 174.729 -2.588 19792 470 1 1 . 1 1 84 84 GLU CA C 84 51.305 51.305 54.119 -2.814 19792 471 1 1 . 1 1 84 84 GLU CB C 84 31.690 31.690 33.043 -1.353 19792 472 1 1 . 1 1 84 84 GLU H H 84 8.977 8.977 8.927 0.050 19792 473 1 1 . 1 1 85 85 GLN N N 85 121.740 121.740 119.634 2.106 19792 474 1 1 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.403 -0.154 19792 475 1 1 . 1 1 85 85 GLN C C 85 173.263 173.263 176.251 -2.988 19792 476 1 1 . 1 1 85 85 GLN CA C 85 54.257 54.257 55.117 -0.860 19792 477 1 1 . 1 1 85 85 GLN CB C 85 26.519 26.519 27.821 -1.302 19792 478 1 1 . 1 1 85 85 GLN H H 85 8.835 8.835 8.701 0.134 19792 479 1 1 . 1 1 86 86 ALA N N 86 127.885 127.885 131.484 -3.599 19792 480 1 1 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.297 0.137 19792 481 1 1 . 1 1 86 86 ALA C C 86 174.487 174.487 176.419 -1.932 19792 482 1 1 . 1 1 86 86 ALA CA C 86 50.016 50.016 51.984 -1.968 19792 483 1 1 . 1 1 86 86 ALA CB C 86 16.340 16.340 17.754 -1.414 19792 484 1 1 . 1 1 86 86 ALA H H 86 8.608 8.608 8.741 -0.133 19792 485 1 1 . 1 1 87 87 THR N N 87 113.372 113.372 114.718 -1.346 19792 486 1 1 . 1 1 87 87 THR HA H 87 4.339 4.339 4.505 -0.166 19792 487 1 1 . 1 1 87 87 THR C C 87 171.331 171.331 172.547 -1.216 19792 488 1 1 . 1 1 87 87 THR CA C 87 58.219 58.219 61.412 -3.193 19792 489 1 1 . 1 1 87 87 THR CB C 87 67.397 67.397 70.250 -2.853 19792 490 1 1 . 1 1 87 87 THR H H 87 8.271 8.271 7.526 0.745 19792 491 1 1 . 1 1 88 88 LYS N N 88 123.502 123.502 121.377 2.125 19792 492 1 1 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.813 -0.340 19792 493 1 1 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.402 -1.791 19792 494 1 1 . 1 1 88 88 LYS CB C 88 29.867 29.867 32.584 -2.717 19792 495 1 1 . 1 1 88 88 LYS H H 88 8.203 8.203 8.086 0.117 19792 496 1 1 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.371 -0.177 19792 497 1 1 . 1 1 89 89 PRO C C 89 173.726 173.726 177.132 -3.406 19792 498 1 1 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.788 -3.718 19792 499 1 1 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.131 -2.816 19792 500 1 1 . 1 1 90 90 SER N N 90 115.260 115.260 112.790 2.470 19792 501 1 1 . 1 1 90 90 SER HA H 90 4.229 4.229 4.630 -0.401 19792 502 1 1 . 1 1 90 90 SER C C 90 171.123 171.123 172.779 -1.656 19792 503 1 1 . 1 1 90 90 SER CA C 90 55.017 55.017 57.438 -2.421 19792 504 1 1 . 1 1 90 90 SER CB C 90 60.977 60.977 64.931 -3.954 19792 505 1 1 . 1 1 90 90 SER H H 90 7.991 7.991 7.795 0.196 19792 506 1 1 . 1 1 91 91 PHE N N 91 121.128 121.128 122.257 -1.129 19792 507 1 1 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.664 -0.137 19792 508 1 1 . 1 1 91 91 PHE C C 91 171.798 171.798 174.403 -2.605 19792 509 1 1 . 1 1 91 91 PHE CA C 91 54.467 54.467 58.136 -3.669 19792 510 1 1 . 1 1 91 91 PHE CB C 91 37.008 37.008 39.841 -2.833 19792 511 1 1 . 1 1 91 91 PHE H H 91 8.004 8.004 8.776 -0.772 19792 512 1 2 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.385 0.211 19792 513 1 2 . 1 1 2 2 HIS C C 2 171.930 171.930 174.454 -2.524 19792 514 1 2 . 1 1 2 2 HIS CA C 2 52.879 52.879 57.823 -4.944 19792 515 1 2 . 1 1 2 2 HIS CB C 2 27.693 27.693 28.797 -1.104 19792 516 1 2 . 1 1 3 3 MET N N 3 122.778 122.778 118.414 4.364 19792 517 1 2 . 1 1 3 3 MET HA H 3 4.365 4.365 4.613 -0.248 19792 518 1 2 . 1 1 3 3 MET C C 3 173.051 173.051 175.940 -2.889 19792 519 1 2 . 1 1 3 3 MET CA C 3 52.457 52.457 54.700 -2.243 19792 520 1 2 . 1 1 3 3 MET CB C 3 30.267 30.267 34.726 -4.459 19792 521 1 2 . 1 1 3 3 MET H H 3 8.407 8.407 7.688 0.719 19792 522 1 2 . 1 1 4 4 VAL N N 4 121.985 121.985 120.603 1.382 19792 523 1 2 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.357 -0.365 19792 524 1 2 . 1 1 4 4 VAL C C 4 173.161 173.161 175.363 -2.202 19792 525 1 2 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.093 -2.904 19792 526 1 2 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.550 -2.237 19792 527 1 2 . 1 1 4 4 VAL H H 4 8.170 8.170 8.357 -0.187 19792 528 1 2 . 1 1 5 5 GLU N N 5 124.990 124.990 122.786 2.204 19792 529 1 2 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.356 -0.194 19792 530 1 2 . 1 1 5 5 GLU C C 5 173.208 173.208 175.216 -2.008 19792 531 1 2 . 1 1 5 5 GLU CA C 5 53.271 53.271 55.913 -2.642 19792 532 1 2 . 1 1 5 5 GLU CB C 5 27.861 27.861 27.848 0.013 19792 533 1 2 . 1 1 5 5 GLU H H 5 8.469 8.469 8.582 -0.113 19792 534 1 2 . 1 1 6 6 ALA N N 6 124.750 124.750 128.470 -3.720 19792 535 1 2 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.552 -0.417 19792 536 1 2 . 1 1 6 6 ALA C C 6 174.516 174.516 176.070 -1.554 19792 537 1 2 . 1 1 6 6 ALA CA C 6 49.571 49.571 52.218 -2.647 19792 538 1 2 . 1 1 6 6 ALA CB C 6 16.604 16.604 20.177 -3.573 19792 539 1 2 . 1 1 6 6 ALA H H 6 8.229 8.229 7.870 0.359 19792 540 1 2 . 1 1 7 7 ASP N N 7 119.477 119.477 121.777 -2.300 19792 541 1 2 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.718 -0.288 19792 542 1 2 . 1 1 7 7 ASP C C 7 173.005 173.005 174.939 -1.934 19792 543 1 2 . 1 1 7 7 ASP CA C 7 51.032 51.032 54.046 -3.014 19792 544 1 2 . 1 1 7 7 ASP CB C 7 38.658 38.658 42.401 -3.743 19792 545 1 2 . 1 1 7 7 ASP H H 7 8.172 8.172 8.277 -0.105 19792 546 1 2 . 1 1 8 8 ARG N N 8 121.454 121.454 123.418 -1.964 19792 547 1 2 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.841 -0.738 19792 548 1 2 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.178 0.530 19792 549 1 2 . 1 1 8 8 ARG CB C 8 27.813 27.813 30.193 -2.380 19792 550 1 2 . 1 1 8 8 ARG H H 8 8.168 8.168 8.429 -0.261 19792 551 1 2 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.552 -0.139 19792 552 1 2 . 1 1 9 9 PRO C C 9 174.662 174.662 176.573 -1.911 19792 553 1 2 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.924 -2.118 19792 554 1 2 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.928 -1.457 19792 555 1 2 . 1 1 10 10 GLY N N 10 108.287 108.287 107.626 0.661 19792 556 1 2 . 1 1 10 10 GLY C C 10 169.715 169.715 174.249 -4.534 19792 557 1 2 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.717 -3.188 19792 558 1 2 . 1 1 10 10 GLY H H 10 8.769 8.769 8.107 0.662 19792 559 1 2 . 1 1 11 11 LYS N N 11 122.177 122.177 120.993 1.184 19792 560 1 2 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.733 0.131 19792 561 1 2 . 1 1 11 11 LYS C C 11 172.419 172.419 175.978 -3.559 19792 562 1 2 . 1 1 11 11 LYS CA C 11 53.417 53.417 56.255 -2.838 19792 563 1 2 . 1 1 11 11 LYS CB C 11 32.058 32.058 32.106 -0.048 19792 564 1 2 . 1 1 11 11 LYS H H 11 7.753 7.753 7.432 0.321 19792 565 1 2 . 1 1 12 12 LEU N N 12 127.116 127.116 124.504 2.612 19792 566 1 2 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.731 0.208 19792 567 1 2 . 1 1 12 12 LEU C C 12 173.185 173.185 176.407 -3.222 19792 568 1 2 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.982 -3.681 19792 569 1 2 . 1 1 12 12 LEU CB C 12 42.075 42.075 44.904 -2.829 19792 570 1 2 . 1 1 12 12 LEU H H 12 9.465 9.465 8.185 1.280 19792 571 1 2 . 1 1 13 13 PHE N N 13 122.922 122.922 119.728 3.194 19792 572 1 2 . 1 1 13 13 PHE HA H 13 4.712 4.712 5.031 -0.319 19792 573 1 2 . 1 1 13 13 PHE C C 13 170.330 170.330 173.532 -3.202 19792 574 1 2 . 1 1 13 13 PHE CA C 13 54.041 54.041 56.950 -2.909 19792 575 1 2 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.539 -5.019 19792 576 1 2 . 1 1 13 13 PHE H H 13 9.213 9.213 8.711 0.502 19792 577 1 2 . 1 1 14 14 ILE N N 14 128.128 128.128 122.302 5.826 19792 578 1 2 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.267 -0.452 19792 579 1 2 . 1 1 14 14 ILE C C 14 171.441 171.441 175.147 -3.706 19792 580 1 2 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.270 -3.859 19792 581 1 2 . 1 1 14 14 ILE CB C 14 36.448 36.448 42.788 -6.340 19792 582 1 2 . 1 1 14 14 ILE H H 14 8.304 8.304 7.444 0.860 19792 583 1 2 . 1 1 15 15 GLY N N 15 110.945 110.945 108.348 2.597 19792 584 1 2 . 1 1 15 15 GLY C C 15 170.863 170.863 174.072 -3.209 19792 585 1 2 . 1 1 15 15 GLY CA C 15 40.913 40.913 45.205 -4.292 19792 586 1 2 . 1 1 15 15 GLY H H 15 8.965 8.965 8.604 0.361 19792 587 1 2 . 1 1 16 16 GLY N N 16 107.025 107.025 107.867 -0.842 19792 588 1 2 . 1 1 16 16 GLY C C 16 172.134 172.134 174.931 -2.797 19792 589 1 2 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.764 -2.902 19792 590 1 2 . 1 1 16 16 GLY H H 16 7.865 7.865 8.313 -0.448 19792 591 1 2 . 1 1 17 17 LEU N N 17 115.104 115.104 119.045 -3.941 19792 592 1 2 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.191 -0.279 19792 593 1 2 . 1 1 17 17 LEU C C 17 176.024 176.024 177.175 -1.151 19792 594 1 2 . 1 1 17 17 LEU CA C 17 51.583 51.583 55.071 -3.488 19792 595 1 2 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.273 -2.104 19792 596 1 2 . 1 1 17 17 LEU H H 17 7.521 7.521 7.601 -0.080 19792 597 1 2 . 1 1 18 18 ASN N N 18 120.666 120.666 117.948 2.718 19792 598 1 2 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.766 -0.380 19792 599 1 2 . 1 1 18 18 ASN C C 18 176.199 176.199 176.169 0.030 19792 600 1 2 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.068 -2.766 19792 601 1 2 . 1 1 18 18 ASN CB C 18 35.692 35.692 40.058 -4.366 19792 602 1 2 . 1 1 18 18 ASN H H 18 9.528 9.528 8.730 0.798 19792 603 1 2 . 1 1 19 19 THR N N 19 123.230 123.230 112.360 10.870 19792 604 1 2 . 1 1 19 19 THR HA H 19 3.699 3.699 4.300 -0.601 19792 605 1 2 . 1 1 19 19 THR C C 19 172.195 172.195 175.596 -3.401 19792 606 1 2 . 1 1 19 19 THR CA C 19 62.512 62.512 64.855 -2.343 19792 607 1 2 . 1 1 19 19 THR CB C 19 65.438 65.438 69.094 -3.656 19792 608 1 2 . 1 1 19 19 THR H H 19 8.809 8.809 8.398 0.411 19792 609 1 2 . 1 1 20 20 GLU N N 20 118.055 118.055 120.377 -2.322 19792 610 1 2 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.419 -0.243 19792 611 1 2 . 1 1 20 20 GLU C C 20 174.826 174.826 176.070 -1.244 19792 612 1 2 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.679 -2.498 19792 613 1 2 . 1 1 20 20 GLU CB C 20 27.076 27.076 28.993 -1.917 19792 614 1 2 . 1 1 20 20 GLU H H 20 8.703 8.703 8.675 0.028 19792 615 1 2 . 1 1 21 21 THR N N 21 119.209 119.209 116.722 2.487 19792 616 1 2 . 1 1 21 21 THR HA H 21 3.930 3.930 4.320 -0.390 19792 617 1 2 . 1 1 21 21 THR C C 21 171.688 171.688 173.356 -1.668 19792 618 1 2 . 1 1 21 21 THR CA C 21 61.882 61.882 63.315 -1.433 19792 619 1 2 . 1 1 21 21 THR CB C 21 65.397 65.397 69.742 -4.345 19792 620 1 2 . 1 1 21 21 THR H H 21 7.514 7.514 7.642 -0.128 19792 621 1 2 . 1 1 22 22 ASN N N 22 126.624 126.624 119.894 6.730 19792 622 1 2 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.895 -0.126 19792 623 1 2 . 1 1 22 22 ASN C C 22 172.032 172.032 175.989 -3.957 19792 624 1 2 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.344 -4.638 19792 625 1 2 . 1 1 22 22 ASN CB C 22 37.373 37.373 41.789 -4.416 19792 626 1 2 . 1 1 22 22 ASN H H 22 8.031 8.031 8.164 -0.133 19792 627 1 2 . 1 1 23 23 GLU N N 23 118.056 118.056 120.985 -2.929 19792 628 1 2 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.774 -0.207 19792 629 1 2 . 1 1 23 23 GLU CA C 23 58.784 58.784 61.013 -2.229 19792 630 1 2 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.459 -3.598 19792 631 1 2 . 1 1 23 23 GLU H H 23 10.151 10.151 9.015 1.136 19792 632 1 2 . 1 1 24 24 LYS N N 24 118.897 118.897 118.777 0.120 19792 633 1 2 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.206 -0.201 19792 634 1 2 . 1 1 24 24 LYS C C 24 176.843 176.843 178.401 -1.558 19792 635 1 2 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.652 -2.921 19792 636 1 2 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.567 -2.196 19792 637 1 2 . 1 1 24 24 LYS H H 24 7.839 7.839 8.182 -0.343 19792 638 1 2 . 1 1 25 25 ALA N N 25 123.210 123.210 121.333 1.877 19792 639 1 2 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.228 -0.059 19792 640 1 2 . 1 1 25 25 ALA C C 25 178.048 178.048 179.488 -1.440 19792 641 1 2 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.588 -2.720 19792 642 1 2 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.441 -2.302 19792 643 1 2 . 1 1 25 25 ALA H H 25 7.827 7.827 7.958 -0.131 19792 644 1 2 . 1 1 26 26 LEU N N 26 116.466 116.466 119.702 -3.236 19792 645 1 2 . 1 1 26 26 LEU HA H 26 4.024 4.024 4.025 -0.001 19792 646 1 2 . 1 1 26 26 LEU C C 26 176.375 176.375 179.197 -2.822 19792 647 1 2 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.943 -2.985 19792 648 1 2 . 1 1 26 26 LEU CB C 26 39.701 39.701 40.982 -1.281 19792 649 1 2 . 1 1 26 26 LEU H H 26 7.652 7.652 7.819 -0.167 19792 650 1 2 . 1 1 27 27 GLU N N 27 119.789 119.789 118.996 0.793 19792 651 1 2 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.915 -0.324 19792 652 1 2 . 1 1 27 27 GLU C C 27 176.206 176.206 178.636 -2.430 19792 653 1 2 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.677 -2.605 19792 654 1 2 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.236 -2.170 19792 655 1 2 . 1 1 27 27 GLU H H 27 8.480 8.480 8.535 -0.055 19792 656 1 2 . 1 1 28 28 ALA N N 28 120.599 120.599 120.853 -0.254 19792 657 1 2 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.122 -0.083 19792 658 1 2 . 1 1 28 28 ALA C C 28 177.506 177.506 179.353 -1.847 19792 659 1 2 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.483 -2.576 19792 660 1 2 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.885 -3.478 19792 661 1 2 . 1 1 28 28 ALA H H 28 7.837 7.837 7.236 0.601 19792 662 1 2 . 1 1 29 29 VAL N N 29 115.536 115.536 118.194 -2.658 19792 663 1 2 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.659 0.167 19792 664 1 2 . 1 1 29 29 VAL C C 29 174.998 174.998 177.811 -2.813 19792 665 1 2 . 1 1 29 29 VAL CA C 29 61.999 61.999 65.816 -3.817 19792 666 1 2 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.618 -1.740 19792 667 1 2 . 1 1 29 29 VAL H H 29 7.626 7.626 8.022 -0.396 19792 668 1 2 . 1 1 30 30 PHE N N 30 115.465 115.465 115.093 0.372 19792 669 1 2 . 1 1 30 30 PHE HA H 30 4.482 4.482 5.063 -0.581 19792 670 1 2 . 1 1 30 30 PHE C C 30 174.725 174.725 177.495 -2.770 19792 671 1 2 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.842 0.786 19792 672 1 2 . 1 1 30 30 PHE CB C 30 35.394 35.394 39.819 -4.425 19792 673 1 2 . 1 1 30 30 PHE H H 30 8.514 8.514 8.325 0.189 19792 674 1 2 . 1 1 31 31 GLY N N 31 108.299 108.299 108.481 -0.182 19792 675 1 2 . 1 1 31 31 GLY C C 31 172.455 172.455 173.846 -1.391 19792 676 1 2 . 1 1 31 31 GLY CA C 31 43.505 43.505 45.259 -1.754 19792 677 1 2 . 1 1 31 31 GLY H H 31 8.294 8.294 8.145 0.149 19792 678 1 2 . 1 1 32 32 LYS N N 32 117.309 117.309 118.161 -0.852 19792 679 1 2 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.462 -0.536 19792 680 1 2 . 1 1 32 32 LYS C C 32 174.779 174.779 175.642 -0.863 19792 681 1 2 . 1 1 32 32 LYS CA C 32 54.700 54.700 56.435 -1.735 19792 682 1 2 . 1 1 32 32 LYS CB C 32 28.935 28.935 32.763 -3.828 19792 683 1 2 . 1 1 32 32 LYS H H 32 6.846 6.846 8.213 -1.367 19792 684 1 2 . 1 1 33 33 TYR N N 33 115.635 115.635 120.126 -4.491 19792 685 1 2 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.712 -0.595 19792 686 1 2 . 1 1 33 33 TYR C C 33 171.935 171.935 174.719 -2.784 19792 687 1 2 . 1 1 33 33 TYR CA C 33 56.609 56.609 58.601 -1.992 19792 688 1 2 . 1 1 33 33 TYR CB C 33 35.735 35.735 40.551 -4.816 19792 689 1 2 . 1 1 33 33 TYR H H 33 7.593 7.593 7.865 -0.272 19792 690 1 2 . 1 1 34 34 GLY N N 34 104.503 104.503 106.879 -2.376 19792 691 1 2 . 1 1 34 34 GLY C C 34 168.962 168.962 172.493 -3.531 19792 692 1 2 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.148 -3.585 19792 693 1 2 . 1 1 34 34 GLY H H 34 7.253 7.253 7.653 -0.400 19792 694 1 2 . 1 1 35 35 ARG N N 35 116.679 116.679 121.542 -4.863 19792 695 1 2 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.898 -0.783 19792 696 1 2 . 1 1 35 35 ARG C C 35 174.272 174.272 174.933 -0.661 19792 697 1 2 . 1 1 35 35 ARG CA C 35 54.785 54.785 54.752 0.033 19792 698 1 2 . 1 1 35 35 ARG CB C 35 27.958 27.958 32.465 -4.507 19792 699 1 2 . 1 1 35 35 ARG H H 35 8.196 8.196 8.949 -0.753 19792 700 1 2 . 1 1 36 36 ILE N N 36 128.885 128.885 126.565 2.320 19792 701 1 2 . 1 1 36 36 ILE HA H 36 3.827 3.827 3.954 -0.127 19792 702 1 2 . 1 1 36 36 ILE C C 36 173.725 173.725 176.461 -2.736 19792 703 1 2 . 1 1 36 36 ILE CA C 36 57.740 57.740 62.438 -4.698 19792 704 1 2 . 1 1 36 36 ILE CB C 36 37.006 37.006 38.566 -1.560 19792 705 1 2 . 1 1 36 36 ILE H H 36 8.760 8.760 8.840 -0.080 19792 706 1 2 . 1 1 37 37 VAL N N 37 122.612 122.612 118.941 3.671 19792 707 1 2 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.410 -0.327 19792 708 1 2 . 1 1 37 37 VAL C C 37 172.917 172.917 175.389 -2.472 19792 709 1 2 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.429 -2.083 19792 710 1 2 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.141 -2.766 19792 711 1 2 . 1 1 37 37 VAL H H 37 8.751 8.751 8.080 0.671 19792 712 1 2 . 1 1 38 38 GLU N N 38 118.683 118.683 121.269 -2.586 19792 713 1 2 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.434 -0.066 19792 714 1 2 . 1 1 38 38 GLU C C 38 170.647 170.647 174.002 -3.355 19792 715 1 2 . 1 1 38 38 GLU CA C 38 53.636 53.636 56.181 -2.545 19792 716 1 2 . 1 1 38 38 GLU CB C 38 31.112 31.112 33.097 -1.985 19792 717 1 2 . 1 1 38 38 GLU H H 38 7.075 7.075 7.478 -0.403 19792 718 1 2 . 1 1 39 39 VAL N N 39 125.880 125.880 123.496 2.384 19792 719 1 2 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.110 0.209 19792 720 1 2 . 1 1 39 39 VAL C C 39 170.693 170.693 174.467 -3.774 19792 721 1 2 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.118 -2.062 19792 722 1 2 . 1 1 39 39 VAL CB C 39 31.077 31.077 32.432 -1.355 19792 723 1 2 . 1 1 39 39 VAL H H 39 8.509 8.509 8.418 0.091 19792 724 1 2 . 1 1 40 40 LEU N N 40 129.331 129.331 129.500 -0.169 19792 725 1 2 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.576 0.099 19792 726 1 2 . 1 1 40 40 LEU C C 40 171.627 171.627 174.892 -3.265 19792 727 1 2 . 1 1 40 40 LEU CA C 40 50.744 50.744 52.965 -2.221 19792 728 1 2 . 1 1 40 40 LEU CB C 40 42.066 42.066 41.790 0.276 19792 729 1 2 . 1 1 40 40 LEU H H 40 8.928 8.928 8.599 0.329 19792 730 1 2 . 1 1 41 41 LEU N N 41 128.574 128.574 125.135 3.439 19792 731 1 2 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.272 0.068 19792 732 1 2 . 1 1 41 41 LEU C C 41 172.935 172.935 175.965 -3.030 19792 733 1 2 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.903 -4.027 19792 734 1 2 . 1 1 41 41 LEU CB C 41 41.547 41.547 43.086 -1.539 19792 735 1 2 . 1 1 41 41 LEU H H 41 9.023 9.023 8.356 0.667 19792 736 1 2 . 1 1 42 42 MET N N 42 125.617 125.617 126.177 -0.560 19792 737 1 2 . 1 1 42 42 MET HA H 42 4.357 4.357 4.413 -0.056 19792 738 1 2 . 1 1 42 42 MET C C 42 172.606 172.606 175.430 -2.824 19792 739 1 2 . 1 1 42 42 MET CA C 42 51.857 51.857 54.057 -2.200 19792 740 1 2 . 1 1 42 42 MET CB C 42 27.700 27.700 31.464 -3.764 19792 741 1 2 . 1 1 42 42 MET H H 42 7.988 7.988 8.338 -0.350 19792 742 1 2 . 1 1 43 43 LYS N N 43 121.956 121.956 123.944 -1.988 19792 743 1 2 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.944 -0.185 19792 744 1 2 . 1 1 43 43 LYS C C 43 173.591 173.591 176.069 -2.478 19792 745 1 2 . 1 1 43 43 LYS CA C 43 51.608 51.608 55.064 -3.456 19792 746 1 2 . 1 1 43 43 LYS CB C 43 33.447 33.447 34.657 -1.210 19792 747 1 2 . 1 1 43 43 LYS H H 43 8.289 8.289 8.564 -0.275 19792 748 1 2 . 1 1 44 44 ASP N N 44 123.608 123.608 121.749 1.859 19792 749 1 2 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.569 -0.098 19792 750 1 2 . 1 1 44 44 ASP C C 44 174.790 174.790 176.597 -1.807 19792 751 1 2 . 1 1 44 44 ASP CA C 44 51.279 51.279 54.816 -3.537 19792 752 1 2 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.616 -2.439 19792 753 1 2 . 1 1 44 44 ASP H H 44 8.693 8.693 8.704 -0.011 19792 754 1 2 . 1 1 45 45 ARG N N 45 126.884 126.884 120.793 6.091 19792 755 1 2 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.394 -0.418 19792 756 1 2 . 1 1 45 45 ARG C C 45 174.578 174.578 176.685 -2.107 19792 757 1 2 . 1 1 45 45 ARG CA C 45 55.637 55.637 55.984 -0.347 19792 758 1 2 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.645 -3.101 19792 759 1 2 . 1 1 45 45 ARG H H 45 8.875 8.875 8.407 0.468 19792 760 1 2 . 1 1 46 46 GLU N N 46 117.313 117.313 120.815 -3.502 19792 761 1 2 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.325 -0.143 19792 762 1 2 . 1 1 46 46 GLU C C 46 175.625 175.625 176.458 -0.833 19792 763 1 2 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.385 -2.757 19792 764 1 2 . 1 1 46 46 GLU CB C 46 27.597 27.597 30.181 -2.584 19792 765 1 2 . 1 1 46 46 GLU H H 46 8.561 8.561 8.405 0.156 19792 766 1 2 . 1 1 47 47 THR N N 47 107.019 107.019 112.325 -5.306 19792 767 1 2 . 1 1 47 47 THR HA H 47 4.277 4.277 4.581 -0.304 19792 768 1 2 . 1 1 47 47 THR C C 47 173.242 173.242 173.831 -0.589 19792 769 1 2 . 1 1 47 47 THR CA C 47 58.709 58.709 61.803 -3.094 19792 770 1 2 . 1 1 47 47 THR CB C 47 67.971 67.971 68.172 -0.201 19792 771 1 2 . 1 1 47 47 THR H H 47 8.053 8.053 7.905 0.148 19792 772 1 2 . 1 1 48 48 ASN N N 48 117.468 117.468 117.126 0.342 19792 773 1 2 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.299 0.036 19792 774 1 2 . 1 1 48 48 ASN C C 48 171.106 171.106 174.860 -3.754 19792 775 1 2 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.992 -2.862 19792 776 1 2 . 1 1 48 48 ASN CB C 48 35.645 35.645 37.252 -1.607 19792 777 1 2 . 1 1 48 48 ASN H H 48 8.230 8.230 8.787 -0.557 19792 778 1 2 . 1 1 49 49 LYS N N 49 117.523 117.523 119.166 -1.643 19792 779 1 2 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.166 0.130 19792 780 1 2 . 1 1 49 49 LYS C C 49 173.910 173.910 176.724 -2.814 19792 781 1 2 . 1 1 49 49 LYS CA C 49 52.763 52.763 57.207 -4.444 19792 782 1 2 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.235 -2.196 19792 783 1 2 . 1 1 49 49 LYS H H 49 7.517 7.517 7.523 -0.006 19792 784 1 2 . 1 1 50 50 SER N N 50 115.960 115.960 113.937 2.023 19792 785 1 2 . 1 1 50 50 SER HA H 50 4.197 4.197 4.977 -0.780 19792 786 1 2 . 1 1 50 50 SER C C 50 173.417 173.417 175.681 -2.264 19792 787 1 2 . 1 1 50 50 SER CA C 50 55.614 55.614 57.203 -1.589 19792 788 1 2 . 1 1 50 50 SER CB C 50 61.524 61.524 64.342 -2.818 19792 789 1 2 . 1 1 50 50 SER H H 50 8.705 8.705 8.596 0.109 19792 790 1 2 . 1 1 51 51 ARG N N 51 124.058 124.058 124.219 -0.161 19792 791 1 2 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.548 -0.240 19792 792 1 2 . 1 1 51 51 ARG C C 51 174.657 174.657 176.778 -2.121 19792 793 1 2 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.490 -2.097 19792 794 1 2 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.469 -1.690 19792 795 1 2 . 1 1 51 51 ARG H H 51 9.023 9.023 7.999 1.024 19792 796 1 2 . 1 1 52 52 GLY N N 52 106.703 106.703 106.921 -0.218 19792 797 1 2 . 1 1 52 52 GLY C C 52 168.863 168.863 173.748 -4.885 19792 798 1 2 . 1 1 52 52 GLY CA C 52 42.919 42.919 45.839 -2.920 19792 799 1 2 . 1 1 52 52 GLY H H 52 9.129 9.129 8.771 0.358 19792 800 1 2 . 1 1 53 53 PHE N N 53 112.307 112.307 115.893 -3.586 19792 801 1 2 . 1 1 53 53 PHE HA H 53 5.243 5.243 4.827 0.416 19792 802 1 2 . 1 1 53 53 PHE C C 53 169.552 169.552 172.141 -2.589 19792 803 1 2 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.613 -2.518 19792 804 1 2 . 1 1 53 53 PHE CB C 53 38.914 38.914 40.119 -1.205 19792 805 1 2 . 1 1 53 53 PHE H H 53 6.845 6.845 7.421 -0.576 19792 806 1 2 . 1 1 54 54 ALA N N 54 120.987 120.987 120.399 0.588 19792 807 1 2 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.077 0.817 19792 808 1 2 . 1 1 54 54 ALA C C 54 171.062 171.062 174.231 -3.169 19792 809 1 2 . 1 1 54 54 ALA CA C 54 47.049 47.049 50.889 -3.840 19792 810 1 2 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.316 0.510 19792 811 1 2 . 1 1 54 54 ALA H H 54 8.970 8.970 7.616 1.354 19792 812 1 2 . 1 1 55 55 PHE N N 55 114.157 114.157 118.994 -4.837 19792 813 1 2 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.818 0.950 19792 814 1 2 . 1 1 55 55 PHE C C 55 173.605 173.605 173.267 0.338 19792 815 1 2 . 1 1 55 55 PHE CA C 55 53.080 53.080 54.896 -1.816 19792 816 1 2 . 1 1 55 55 PHE CB C 55 40.029 40.029 42.773 -2.744 19792 817 1 2 . 1 1 55 55 PHE H H 55 8.837 8.837 8.400 0.437 19792 818 1 2 . 1 1 56 56 VAL N N 56 123.812 123.812 126.600 -2.788 19792 819 1 2 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.273 0.201 19792 820 1 2 . 1 1 56 56 VAL C C 56 171.401 171.401 174.376 -2.975 19792 821 1 2 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.569 -2.721 19792 822 1 2 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.533 -3.006 19792 823 1 2 . 1 1 56 56 VAL H H 56 8.558 8.558 8.608 -0.050 19792 824 1 2 . 1 1 57 57 THR N N 57 123.000 123.000 120.048 2.952 19792 825 1 2 . 1 1 57 57 THR HA H 57 4.974 4.974 5.148 -0.174 19792 826 1 2 . 1 1 57 57 THR C C 57 171.340 171.340 173.340 -2.000 19792 827 1 2 . 1 1 57 57 THR CA C 57 58.659 58.659 60.668 -2.009 19792 828 1 2 . 1 1 57 57 THR CB C 57 66.662 66.662 71.431 -4.769 19792 829 1 2 . 1 1 57 57 THR H H 57 8.808 8.808 8.323 0.485 19792 830 1 2 . 1 1 58 58 PHE N N 58 128.385 128.385 122.779 5.606 19792 831 1 2 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.896 -0.213 19792 832 1 2 . 1 1 58 58 PHE C C 58 172.367 172.367 175.892 -3.525 19792 833 1 2 . 1 1 58 58 PHE CA C 58 55.449 55.449 56.601 -1.152 19792 834 1 2 . 1 1 58 58 PHE CB C 58 37.909 37.909 41.120 -3.211 19792 835 1 2 . 1 1 58 58 PHE H H 58 8.835 8.835 8.925 -0.090 19792 836 1 2 . 1 1 59 59 GLU N N 59 121.627 121.627 121.463 0.164 19792 837 1 2 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.049 -0.283 19792 838 1 2 . 1 1 59 59 GLU C C 59 173.666 173.666 176.361 -2.695 19792 839 1 2 . 1 1 59 59 GLU CA C 59 56.293 56.293 59.050 -2.756 19792 840 1 2 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.630 -2.842 19792 841 1 2 . 1 1 59 59 GLU H H 59 8.067 8.067 8.904 -0.837 19792 842 1 2 . 1 1 60 60 SER N N 60 112.302 112.302 112.837 -0.535 19792 843 1 2 . 1 1 60 60 SER HA H 60 5.163 5.163 4.651 0.512 19792 844 1 2 . 1 1 60 60 SER CA C 60 50.137 50.137 56.524 -6.387 19792 845 1 2 . 1 1 60 60 SER CB C 60 61.350 61.350 63.127 -1.777 19792 846 1 2 . 1 1 60 60 SER H H 60 9.333 9.333 7.768 1.565 19792 847 1 2 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.652 -0.654 19792 848 1 2 . 1 1 61 61 PRO CA C 61 61.850 61.850 64.226 -2.376 19792 849 1 2 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.340 -2.949 19792 850 1 2 . 1 1 62 62 ALA N N 62 121.088 121.088 122.228 -1.140 19792 851 1 2 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.382 -0.450 19792 852 1 2 . 1 1 62 62 ALA C C 62 176.826 176.826 178.755 -1.929 19792 853 1 2 . 1 1 62 62 ALA CA C 62 52.266 52.266 53.775 -1.509 19792 854 1 2 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.709 -3.091 19792 855 1 2 . 1 1 62 62 ALA H H 62 7.821 7.821 7.878 -0.057 19792 856 1 2 . 1 1 63 63 ASP N N 63 120.099 120.099 119.143 0.956 19792 857 1 2 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.291 -0.199 19792 858 1 2 . 1 1 63 63 ASP C C 63 174.505 174.505 177.834 -3.329 19792 859 1 2 . 1 1 63 63 ASP CA C 63 53.809 53.809 57.297 -3.487 19792 860 1 2 . 1 1 63 63 ASP CB C 63 37.374 37.374 39.576 -2.202 19792 861 1 2 . 1 1 63 63 ASP H H 63 6.960 6.960 8.627 -1.667 19792 862 1 2 . 1 1 64 64 ALA N N 64 119.533 119.533 122.356 -2.823 19792 863 1 2 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.057 0.084 19792 864 1 2 . 1 1 64 64 ALA C C 64 176.037 176.037 179.383 -3.346 19792 865 1 2 . 1 1 64 64 ALA CA C 64 51.399 51.399 54.861 -3.462 19792 866 1 2 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.488 -2.923 19792 867 1 2 . 1 1 64 64 ALA H H 64 6.771 6.771 8.069 -1.298 19792 868 1 2 . 1 1 65 65 LYS N N 65 117.395 117.395 118.127 -0.732 19792 869 1 2 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.876 -0.149 19792 870 1 2 . 1 1 65 65 LYS C C 65 176.716 176.716 179.033 -2.317 19792 871 1 2 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.828 -3.144 19792 872 1 2 . 1 1 65 65 LYS CB C 65 29.183 29.183 31.948 -2.765 19792 873 1 2 . 1 1 65 65 LYS H H 65 7.478 7.478 7.430 0.048 19792 874 1 2 . 1 1 66 66 ASP N N 66 120.839 120.839 119.611 1.228 19792 875 1 2 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.409 -0.226 19792 876 1 2 . 1 1 66 66 ASP C C 66 175.111 175.111 178.080 -2.969 19792 877 1 2 . 1 1 66 66 ASP CA C 66 54.430 54.430 57.170 -2.740 19792 878 1 2 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.689 -2.969 19792 879 1 2 . 1 1 66 66 ASP H H 66 7.403 7.403 7.708 -0.305 19792 880 1 2 . 1 1 67 67 ALA N N 67 122.056 122.056 121.328 0.728 19792 881 1 2 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.083 -0.923 19792 882 1 2 . 1 1 67 67 ALA C C 67 176.448 176.448 179.209 -2.761 19792 883 1 2 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.401 -3.102 19792 884 1 2 . 1 1 67 67 ALA CB C 67 17.253 17.253 17.769 -0.516 19792 885 1 2 . 1 1 67 67 ALA H H 67 7.737 7.737 7.790 -0.053 19792 886 1 2 . 1 1 68 68 ALA N N 68 118.624 118.624 120.759 -2.135 19792 887 1 2 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.028 -0.329 19792 888 1 2 . 1 1 68 68 ALA C C 68 176.619 176.619 179.019 -2.400 19792 889 1 2 . 1 1 68 68 ALA CA C 68 52.280 52.280 54.361 -2.081 19792 890 1 2 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.735 -3.886 19792 891 1 2 . 1 1 68 68 ALA H H 68 8.108 8.108 7.469 0.639 19792 892 1 2 . 1 1 69 69 ARG N N 69 116.265 116.265 117.857 -1.592 19792 893 1 2 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.039 -0.107 19792 894 1 2 . 1 1 69 69 ARG C C 69 175.857 175.857 177.832 -1.975 19792 895 1 2 . 1 1 69 69 ARG CA C 69 55.734 55.734 59.090 -3.356 19792 896 1 2 . 1 1 69 69 ARG CB C 69 27.249 27.249 30.163 -2.914 19792 897 1 2 . 1 1 69 69 ARG H H 69 7.599 7.599 7.636 -0.037 19792 898 1 2 . 1 1 70 70 ASP N N 70 116.202 116.202 119.755 -3.553 19792 899 1 2 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.600 -0.045 19792 900 1 2 . 1 1 70 70 ASP C C 70 174.867 174.867 176.842 -1.975 19792 901 1 2 . 1 1 70 70 ASP CA C 70 53.314 53.314 56.222 -2.908 19792 902 1 2 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.252 -1.413 19792 903 1 2 . 1 1 70 70 ASP H H 70 7.657 7.657 8.149 -0.492 19792 904 1 2 . 1 1 71 71 MET N N 71 111.561 111.561 117.054 -5.493 19792 905 1 2 . 1 1 71 71 MET HA H 71 4.742 4.742 4.467 0.275 19792 906 1 2 . 1 1 71 71 MET C C 71 175.174 175.174 176.085 -0.911 19792 907 1 2 . 1 1 71 71 MET CA C 71 50.378 50.378 55.780 -5.402 19792 908 1 2 . 1 1 71 71 MET CB C 71 29.047 29.047 33.366 -4.319 19792 909 1 2 . 1 1 71 71 MET H H 71 8.069 8.069 7.450 0.619 19792 910 1 2 . 1 1 72 72 ASN N N 72 116.196 116.196 118.567 -2.371 19792 911 1 2 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.712 -0.431 19792 912 1 2 . 1 1 72 72 ASN C C 72 173.812 173.812 177.026 -3.214 19792 913 1 2 . 1 1 72 72 ASN CA C 72 53.826 53.826 54.572 -0.746 19792 914 1 2 . 1 1 72 72 ASN CB C 72 35.885 35.885 39.276 -3.391 19792 915 1 2 . 1 1 72 72 ASN H H 72 7.442 7.442 7.681 -0.239 19792 916 1 2 . 1 1 73 73 GLY N N 73 116.956 116.956 110.532 6.424 19792 917 1 2 . 1 1 73 73 GLY C C 73 171.629 171.629 174.307 -2.678 19792 918 1 2 . 1 1 73 73 GLY CA C 73 43.091 43.091 46.103 -3.012 19792 919 1 2 . 1 1 73 73 GLY H H 73 8.884 8.884 8.737 0.147 19792 920 1 2 . 1 1 74 74 LYS N N 74 120.829 120.829 121.221 -0.392 19792 921 1 2 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.294 -0.054 19792 922 1 2 . 1 1 74 74 LYS C C 74 172.132 172.132 175.776 -3.644 19792 923 1 2 . 1 1 74 74 LYS CA C 74 52.333 52.333 56.473 -4.140 19792 924 1 2 . 1 1 74 74 LYS CB C 74 30.131 30.131 33.285 -3.154 19792 925 1 2 . 1 1 74 74 LYS H H 74 7.797 7.797 7.741 0.056 19792 926 1 2 . 1 1 75 75 SER N N 75 112.883 112.883 114.496 -1.613 19792 927 1 2 . 1 1 75 75 SER HA H 75 4.940 4.940 5.396 -0.456 19792 928 1 2 . 1 1 75 75 SER C C 75 171.838 171.838 173.856 -2.018 19792 929 1 2 . 1 1 75 75 SER CA C 75 54.722 54.722 56.905 -2.183 19792 930 1 2 . 1 1 75 75 SER CB C 75 61.242 61.242 64.849 -3.607 19792 931 1 2 . 1 1 75 75 SER H H 75 8.037 8.037 8.415 -0.378 19792 932 1 2 . 1 1 76 76 LEU N N 76 127.669 127.669 122.388 5.281 19792 933 1 2 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.636 -0.200 19792 934 1 2 . 1 1 76 76 LEU C C 76 173.849 173.849 175.383 -1.534 19792 935 1 2 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.758 -3.983 19792 936 1 2 . 1 1 76 76 LEU CB C 76 41.886 41.886 44.662 -2.776 19792 937 1 2 . 1 1 76 76 LEU H H 76 8.988 8.988 8.486 0.502 19792 938 1 2 . 1 1 77 77 ASP N N 77 129.054 129.054 126.255 2.799 19792 939 1 2 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.389 -0.215 19792 940 1 2 . 1 1 77 77 ASP C C 77 173.415 173.415 175.944 -2.529 19792 941 1 2 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.764 -2.888 19792 942 1 2 . 1 1 77 77 ASP CB C 77 36.413 36.413 39.919 -3.506 19792 943 1 2 . 1 1 77 77 ASP H H 77 9.523 9.523 9.095 0.428 19792 944 1 2 . 1 1 78 78 GLY N N 78 101.915 101.915 102.812 -0.897 19792 945 1 2 . 1 1 78 78 GLY C C 78 170.989 170.989 173.887 -2.898 19792 946 1 2 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.020 -2.251 19792 947 1 2 . 1 1 78 78 GLY H H 78 8.396 8.396 8.138 0.258 19792 948 1 2 . 1 1 79 79 LYS N N 79 119.791 119.791 121.329 -1.538 19792 949 1 2 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.641 -0.095 19792 950 1 2 . 1 1 79 79 LYS C C 79 171.513 171.513 175.236 -3.723 19792 951 1 2 . 1 1 79 79 LYS CA C 79 50.277 50.277 53.713 -3.436 19792 952 1 2 . 1 1 79 79 LYS CB C 79 31.955 31.955 33.900 -1.945 19792 953 1 2 . 1 1 79 79 LYS H H 79 7.269 7.269 7.861 -0.592 19792 954 1 2 . 1 1 80 80 ALA N N 80 125.002 125.002 128.784 -3.782 19792 955 1 2 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.304 0.061 19792 956 1 2 . 1 1 80 80 ALA C C 80 175.007 175.007 176.896 -1.889 19792 957 1 2 . 1 1 80 80 ALA CA C 80 48.381 48.381 52.415 -4.034 19792 958 1 2 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.427 -3.212 19792 959 1 2 . 1 1 80 80 ALA H H 80 8.235 8.235 8.863 -0.628 19792 960 1 2 . 1 1 81 81 ILE N N 81 119.947 119.947 119.059 0.888 19792 961 1 2 . 1 1 81 81 ILE HA H 81 4.614 4.614 5.016 -0.402 19792 962 1 2 . 1 1 81 81 ILE C C 81 172.389 172.389 174.774 -2.385 19792 963 1 2 . 1 1 81 81 ILE CA C 81 57.921 57.921 59.288 -1.367 19792 964 1 2 . 1 1 81 81 ILE CB C 81 37.547 37.547 40.834 -3.287 19792 965 1 2 . 1 1 81 81 ILE H H 81 8.204 8.204 8.420 -0.216 19792 966 1 2 . 1 1 82 82 LYS N N 82 123.700 123.700 119.904 3.796 19792 967 1 2 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.877 -0.031 19792 968 1 2 . 1 1 82 82 LYS C C 82 172.571 172.571 175.155 -2.584 19792 969 1 2 . 1 1 82 82 LYS CA C 82 51.341 51.341 54.616 -3.275 19792 970 1 2 . 1 1 82 82 LYS CB C 82 31.948 31.948 36.697 -4.749 19792 971 1 2 . 1 1 82 82 LYS H H 82 8.460 8.460 8.436 0.024 19792 972 1 2 . 1 1 83 83 VAL N N 83 123.707 123.707 122.205 1.502 19792 973 1 2 . 1 1 83 83 VAL HA H 83 5.068 5.068 4.926 0.142 19792 974 1 2 . 1 1 83 83 VAL C C 83 171.831 171.831 174.737 -2.906 19792 975 1 2 . 1 1 83 83 VAL CA C 83 57.954 57.954 61.120 -3.167 19792 976 1 2 . 1 1 83 83 VAL CB C 83 31.979 31.979 33.149 -1.170 19792 977 1 2 . 1 1 83 83 VAL H H 83 8.653 8.653 8.881 -0.228 19792 978 1 2 . 1 1 84 84 GLU N N 84 123.150 123.150 125.922 -2.772 19792 979 1 2 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.812 -0.128 19792 980 1 2 . 1 1 84 84 GLU C C 84 172.141 172.141 174.698 -2.557 19792 981 1 2 . 1 1 84 84 GLU CA C 84 51.305 51.305 54.172 -2.867 19792 982 1 2 . 1 1 84 84 GLU CB C 84 31.690 31.690 33.711 -2.021 19792 983 1 2 . 1 1 84 84 GLU H H 84 8.977 8.977 9.127 -0.150 19792 984 1 2 . 1 1 85 85 GLN N N 85 121.740 121.740 118.438 3.302 19792 985 1 2 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.599 -0.350 19792 986 1 2 . 1 1 85 85 GLN C C 85 173.263 173.263 175.792 -2.529 19792 987 1 2 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.715 -0.458 19792 988 1 2 . 1 1 85 85 GLN CB C 85 26.519 26.519 30.250 -3.731 19792 989 1 2 . 1 1 85 85 GLN H H 85 8.835 8.835 8.743 0.092 19792 990 1 2 . 1 1 86 86 ALA N N 86 127.885 127.885 131.029 -3.144 19792 991 1 2 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.200 0.234 19792 992 1 2 . 1 1 86 86 ALA C C 86 174.487 174.487 176.793 -2.306 19792 993 1 2 . 1 1 86 86 ALA CA C 86 50.016 50.016 51.230 -1.214 19792 994 1 2 . 1 1 86 86 ALA CB C 86 16.340 16.340 17.291 -0.951 19792 995 1 2 . 1 1 86 86 ALA H H 86 8.608 8.608 8.782 -0.174 19792 996 1 2 . 1 1 87 87 THR N N 87 113.372 113.372 116.769 -3.397 19792 997 1 2 . 1 1 87 87 THR HA H 87 4.339 4.339 4.254 0.085 19792 998 1 2 . 1 1 87 87 THR C C 87 171.331 171.331 173.786 -2.455 19792 999 1 2 . 1 1 87 87 THR CA C 87 58.219 58.219 62.830 -4.611 19792 1000 1 2 . 1 1 87 87 THR CB C 87 67.397 67.397 69.450 -2.053 19792 1001 1 2 . 1 1 87 87 THR H H 87 8.271 8.271 7.487 0.784 19792 1002 1 2 . 1 1 88 88 LYS N N 88 123.502 123.502 121.086 2.416 19792 1003 1 2 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.600 -0.127 19792 1004 1 2 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.761 -2.151 19792 1005 1 2 . 1 1 88 88 LYS CB C 88 29.867 29.867 31.973 -2.106 19792 1006 1 2 . 1 1 88 88 LYS H H 88 8.203 8.203 7.892 0.311 19792 1007 1 2 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.453 -0.259 19792 1008 1 2 . 1 1 89 89 PRO C C 89 173.726 173.726 176.574 -2.848 19792 1009 1 2 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.711 -3.641 19792 1010 1 2 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.350 -3.035 19792 1011 1 2 . 1 1 90 90 SER N N 90 115.260 115.260 112.232 3.028 19792 1012 1 2 . 1 1 90 90 SER HA H 90 4.229 4.229 4.596 -0.367 19792 1013 1 2 . 1 1 90 90 SER C C 90 171.123 171.123 172.498 -1.375 19792 1014 1 2 . 1 1 90 90 SER CA C 90 55.017 55.017 57.642 -2.625 19792 1015 1 2 . 1 1 90 90 SER CB C 90 60.977 60.977 65.121 -4.144 19792 1016 1 2 . 1 1 90 90 SER H H 90 7.991 7.991 7.624 0.367 19792 1017 1 2 . 1 1 91 91 PHE N N 91 121.128 121.128 121.088 0.040 19792 1018 1 2 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.725 -0.198 19792 1019 1 2 . 1 1 91 91 PHE C C 91 171.798 171.798 174.457 -2.659 19792 1020 1 2 . 1 1 91 91 PHE CA C 91 54.467 54.467 57.987 -3.520 19792 1021 1 2 . 1 1 91 91 PHE CB C 91 37.008 37.008 40.409 -3.401 19792 1022 1 2 . 1 1 91 91 PHE H H 91 8.004 8.004 8.480 -0.476 19792 1023 1 3 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.924 -0.328 19792 1024 1 3 . 1 1 2 2 HIS C C 2 171.930 171.930 174.564 -2.634 19792 1025 1 3 . 1 1 2 2 HIS CA C 2 52.879 52.879 55.759 -2.880 19792 1026 1 3 . 1 1 2 2 HIS CB C 2 27.693 27.693 31.741 -4.048 19792 1027 1 3 . 1 1 3 3 MET N N 3 122.778 122.778 122.546 0.232 19792 1028 1 3 . 1 1 3 3 MET HA H 3 4.365 4.365 4.833 -0.468 19792 1029 1 3 . 1 1 3 3 MET C C 3 173.051 173.051 174.370 -1.319 19792 1030 1 3 . 1 1 3 3 MET CA C 3 52.457 52.457 55.429 -2.972 19792 1031 1 3 . 1 1 3 3 MET CB C 3 30.267 30.267 34.579 -4.312 19792 1032 1 3 . 1 1 3 3 MET H H 3 8.407 8.407 8.269 0.138 19792 1033 1 3 . 1 1 4 4 VAL N N 4 121.985 121.985 122.404 -0.419 19792 1034 1 3 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.437 -0.445 19792 1035 1 3 . 1 1 4 4 VAL C C 4 173.161 173.161 175.618 -2.457 19792 1036 1 3 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.344 -3.155 19792 1037 1 3 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.239 -1.925 19792 1038 1 3 . 1 1 4 4 VAL H H 4 8.170 8.170 8.404 -0.234 19792 1039 1 3 . 1 1 5 5 GLU N N 5 124.990 124.990 122.597 2.393 19792 1040 1 3 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.380 -0.218 19792 1041 1 3 . 1 1 5 5 GLU C C 5 173.208 173.208 175.832 -2.624 19792 1042 1 3 . 1 1 5 5 GLU CA C 5 53.271 53.271 55.958 -2.687 19792 1043 1 3 . 1 1 5 5 GLU CB C 5 27.861 27.861 29.809 -1.948 19792 1044 1 3 . 1 1 5 5 GLU H H 5 8.469 8.469 8.334 0.135 19792 1045 1 3 . 1 1 6 6 ALA N N 6 124.750 124.750 123.870 0.880 19792 1046 1 3 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.560 -0.425 19792 1047 1 3 . 1 1 6 6 ALA C C 6 174.516 174.516 176.199 -1.683 19792 1048 1 3 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.474 -1.903 19792 1049 1 3 . 1 1 6 6 ALA CB C 6 16.604 16.604 19.639 -3.035 19792 1050 1 3 . 1 1 6 6 ALA H H 6 8.229 8.229 7.688 0.541 19792 1051 1 3 . 1 1 7 7 ASP N N 7 119.477 119.477 122.197 -2.720 19792 1052 1 3 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.975 -0.545 19792 1053 1 3 . 1 1 7 7 ASP C C 7 173.005 173.005 175.388 -2.383 19792 1054 1 3 . 1 1 7 7 ASP CA C 7 51.032 51.032 53.844 -2.812 19792 1055 1 3 . 1 1 7 7 ASP CB C 7 38.658 38.658 42.673 -4.015 19792 1056 1 3 . 1 1 7 7 ASP H H 7 8.172 8.172 8.567 -0.395 19792 1057 1 3 . 1 1 8 8 ARG N N 8 121.454 121.454 122.729 -1.275 19792 1058 1 3 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.719 -0.616 19792 1059 1 3 . 1 1 8 8 ARG CA C 8 54.708 54.708 53.575 1.133 19792 1060 1 3 . 1 1 8 8 ARG CB C 8 27.813 27.813 32.364 -4.551 19792 1061 1 3 . 1 1 8 8 ARG H H 8 8.168 8.168 8.613 -0.445 19792 1062 1 3 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.494 -0.081 19792 1063 1 3 . 1 1 9 9 PRO C C 9 174.662 174.662 177.668 -3.006 19792 1064 1 3 . 1 1 9 9 PRO CA C 9 60.806 60.806 63.208 -2.401 19792 1065 1 3 . 1 1 9 9 PRO CB C 9 29.471 29.471 31.991 -2.520 19792 1066 1 3 . 1 1 10 10 GLY N N 10 108.287 108.287 110.070 -1.783 19792 1067 1 3 . 1 1 10 10 GLY C C 10 169.715 169.715 173.380 -3.665 19792 1068 1 3 . 1 1 10 10 GLY CA C 10 42.529 42.529 44.367 -1.838 19792 1069 1 3 . 1 1 10 10 GLY H H 10 8.769 8.769 8.561 0.208 19792 1070 1 3 . 1 1 11 11 LYS N N 11 122.177 122.177 121.250 0.927 19792 1071 1 3 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.458 0.406 19792 1072 1 3 . 1 1 11 11 LYS C C 11 172.419 172.419 176.311 -3.892 19792 1073 1 3 . 1 1 11 11 LYS CA C 11 53.417 53.417 57.109 -3.692 19792 1074 1 3 . 1 1 11 11 LYS CB C 11 32.058 32.058 33.341 -1.283 19792 1075 1 3 . 1 1 11 11 LYS H H 11 7.753 7.753 7.757 -0.004 19792 1076 1 3 . 1 1 12 12 LEU N N 12 127.116 127.116 123.567 3.549 19792 1077 1 3 . 1 1 12 12 LEU HA H 12 4.939 4.939 5.028 -0.089 19792 1078 1 3 . 1 1 12 12 LEU C C 12 173.185 173.185 176.637 -3.452 19792 1079 1 3 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.051 -2.750 19792 1080 1 3 . 1 1 12 12 LEU CB C 12 42.075 42.075 44.071 -1.996 19792 1081 1 3 . 1 1 12 12 LEU H H 12 9.465 9.465 8.928 0.537 19792 1082 1 3 . 1 1 13 13 PHE N N 13 122.922 122.922 120.625 2.297 19792 1083 1 3 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.950 -0.238 19792 1084 1 3 . 1 1 13 13 PHE C C 13 170.330 170.330 173.921 -3.591 19792 1085 1 3 . 1 1 13 13 PHE CA C 13 54.041 54.041 56.944 -2.904 19792 1086 1 3 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.450 -4.929 19792 1087 1 3 . 1 1 13 13 PHE H H 13 9.213 9.213 9.003 0.210 19792 1088 1 3 . 1 1 14 14 ILE N N 14 128.128 128.128 124.172 3.956 19792 1089 1 3 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.382 -0.567 19792 1090 1 3 . 1 1 14 14 ILE C C 14 171.441 171.441 174.898 -3.457 19792 1091 1 3 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.782 -4.370 19792 1092 1 3 . 1 1 14 14 ILE CB C 14 36.448 36.448 42.189 -5.741 19792 1093 1 3 . 1 1 14 14 ILE H H 14 8.304 8.304 8.367 -0.063 19792 1094 1 3 . 1 1 15 15 GLY N N 15 110.945 110.945 111.280 -0.335 19792 1095 1 3 . 1 1 15 15 GLY C C 15 170.863 170.863 174.578 -3.715 19792 1096 1 3 . 1 1 15 15 GLY CA C 15 40.913 40.913 43.960 -3.047 19792 1097 1 3 . 1 1 15 15 GLY H H 15 8.965 8.965 8.958 0.007 19792 1098 1 3 . 1 1 16 16 GLY N N 16 107.025 107.025 107.691 -0.666 19792 1099 1 3 . 1 1 16 16 GLY C C 16 172.134 172.134 175.100 -2.966 19792 1100 1 3 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.860 -2.998 19792 1101 1 3 . 1 1 16 16 GLY H H 16 7.865 7.865 8.372 -0.507 19792 1102 1 3 . 1 1 17 17 LEU N N 17 115.104 115.104 119.999 -4.895 19792 1103 1 3 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.109 -0.197 19792 1104 1 3 . 1 1 17 17 LEU C C 17 176.024 176.024 177.238 -1.214 19792 1105 1 3 . 1 1 17 17 LEU CA C 17 51.583 51.583 55.361 -3.778 19792 1106 1 3 . 1 1 17 17 LEU CB C 17 40.169 40.169 41.994 -1.825 19792 1107 1 3 . 1 1 17 17 LEU H H 17 7.521 7.521 7.820 -0.299 19792 1108 1 3 . 1 1 18 18 ASN N N 18 120.666 120.666 118.708 1.958 19792 1109 1 3 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.737 -0.351 19792 1110 1 3 . 1 1 18 18 ASN C C 18 176.199 176.199 176.230 -0.031 19792 1111 1 3 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.069 -2.768 19792 1112 1 3 . 1 1 18 18 ASN CB C 18 35.692 35.692 40.159 -4.467 19792 1113 1 3 . 1 1 18 18 ASN H H 18 9.528 9.528 8.778 0.750 19792 1114 1 3 . 1 1 19 19 THR N N 19 123.230 123.230 113.327 9.903 19792 1115 1 3 . 1 1 19 19 THR HA H 19 3.699 3.699 4.272 -0.573 19792 1116 1 3 . 1 1 19 19 THR C C 19 172.195 172.195 175.349 -3.154 19792 1117 1 3 . 1 1 19 19 THR CA C 19 62.512 62.512 63.949 -1.437 19792 1118 1 3 . 1 1 19 19 THR CB C 19 65.438 65.438 68.853 -3.415 19792 1119 1 3 . 1 1 19 19 THR H H 19 8.809 8.809 8.653 0.156 19792 1120 1 3 . 1 1 20 20 GLU N N 20 118.055 118.055 119.109 -1.054 19792 1121 1 3 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.480 -0.304 19792 1122 1 3 . 1 1 20 20 GLU C C 20 174.826 174.826 175.977 -1.151 19792 1123 1 3 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.176 -1.995 19792 1124 1 3 . 1 1 20 20 GLU CB C 20 27.076 27.076 30.477 -3.401 19792 1125 1 3 . 1 1 20 20 GLU H H 20 8.703 8.703 8.131 0.572 19792 1126 1 3 . 1 1 21 21 THR N N 21 119.209 119.209 117.604 1.605 19792 1127 1 3 . 1 1 21 21 THR HA H 21 3.930 3.930 4.250 -0.320 19792 1128 1 3 . 1 1 21 21 THR C C 21 171.688 171.688 173.263 -1.575 19792 1129 1 3 . 1 1 21 21 THR CA C 21 61.882 61.882 64.385 -2.503 19792 1130 1 3 . 1 1 21 21 THR CB C 21 65.397 65.397 69.624 -4.227 19792 1131 1 3 . 1 1 21 21 THR H H 21 7.514 7.514 7.796 -0.282 19792 1132 1 3 . 1 1 22 22 ASN N N 22 126.624 126.624 119.611 7.013 19792 1133 1 3 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.876 -0.107 19792 1134 1 3 . 1 1 22 22 ASN C C 22 172.032 172.032 175.840 -3.808 19792 1135 1 3 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.080 -4.374 19792 1136 1 3 . 1 1 22 22 ASN CB C 22 37.373 37.373 42.119 -4.746 19792 1137 1 3 . 1 1 22 22 ASN H H 22 8.031 8.031 8.202 -0.171 19792 1138 1 3 . 1 1 23 23 GLU N N 23 118.056 118.056 121.811 -3.755 19792 1139 1 3 . 1 1 23 23 GLU HA H 23 3.567 3.567 4.015 -0.448 19792 1140 1 3 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.415 -1.631 19792 1141 1 3 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.433 -3.571 19792 1142 1 3 . 1 1 23 23 GLU H H 23 10.151 10.151 8.818 1.333 19792 1143 1 3 . 1 1 24 24 LYS N N 24 118.897 118.897 117.993 0.904 19792 1144 1 3 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.296 -0.291 19792 1145 1 3 . 1 1 24 24 LYS C C 24 176.843 176.843 178.274 -1.431 19792 1146 1 3 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.962 -3.231 19792 1147 1 3 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.612 -2.241 19792 1148 1 3 . 1 1 24 24 LYS H H 24 7.839 7.839 8.207 -0.368 19792 1149 1 3 . 1 1 25 25 ALA N N 25 123.210 123.210 122.467 0.743 19792 1150 1 3 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.196 -0.027 19792 1151 1 3 . 1 1 25 25 ALA C C 25 178.048 178.048 179.655 -1.607 19792 1152 1 3 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.445 -2.577 19792 1153 1 3 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.156 -2.017 19792 1154 1 3 . 1 1 25 25 ALA H H 25 7.827 7.827 7.860 -0.033 19792 1155 1 3 . 1 1 26 26 LEU N N 26 116.466 116.466 118.583 -2.117 19792 1156 1 3 . 1 1 26 26 LEU HA H 26 4.024 4.024 4.002 0.022 19792 1157 1 3 . 1 1 26 26 LEU C C 26 176.375 176.375 179.132 -2.757 19792 1158 1 3 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.562 -2.604 19792 1159 1 3 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.651 -1.950 19792 1160 1 3 . 1 1 26 26 LEU H H 26 7.652 7.652 7.804 -0.152 19792 1161 1 3 . 1 1 27 27 GLU N N 27 119.789 119.789 119.996 -0.207 19792 1162 1 3 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.888 -0.297 19792 1163 1 3 . 1 1 27 27 GLU C C 27 176.206 176.206 178.818 -2.612 19792 1164 1 3 . 1 1 27 27 GLU CA C 27 57.072 57.072 60.067 -2.995 19792 1165 1 3 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.197 -2.130 19792 1166 1 3 . 1 1 27 27 GLU H H 27 8.480 8.480 8.456 0.024 19792 1167 1 3 . 1 1 28 28 ALA N N 28 120.599 120.599 121.135 -0.536 19792 1168 1 3 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.179 -0.140 19792 1169 1 3 . 1 1 28 28 ALA C C 28 177.506 177.506 179.053 -1.547 19792 1170 1 3 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.663 -2.756 19792 1171 1 3 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.452 -3.045 19792 1172 1 3 . 1 1 28 28 ALA H H 28 7.837 7.837 7.398 0.439 19792 1173 1 3 . 1 1 29 29 VAL N N 29 115.536 115.536 118.013 -2.477 19792 1174 1 3 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.639 0.187 19792 1175 1 3 . 1 1 29 29 VAL C C 29 174.998 174.998 178.263 -3.265 19792 1176 1 3 . 1 1 29 29 VAL CA C 29 61.999 61.999 66.020 -4.021 19792 1177 1 3 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.805 -1.927 19792 1178 1 3 . 1 1 29 29 VAL H H 29 7.626 7.626 7.831 -0.205 19792 1179 1 3 . 1 1 30 30 PHE N N 30 115.465 115.465 116.386 -0.921 19792 1180 1 3 . 1 1 30 30 PHE HA H 30 4.482 4.482 4.976 -0.494 19792 1181 1 3 . 1 1 30 30 PHE C C 30 174.725 174.725 177.974 -3.249 19792 1182 1 3 . 1 1 30 30 PHE CA C 30 59.628 59.628 59.098 0.530 19792 1183 1 3 . 1 1 30 30 PHE CB C 30 35.394 35.394 39.869 -4.475 19792 1184 1 3 . 1 1 30 30 PHE H H 30 8.514 8.514 8.534 -0.020 19792 1185 1 3 . 1 1 31 31 GLY N N 31 108.299 108.299 107.358 0.941 19792 1186 1 3 . 1 1 31 31 GLY C C 31 172.455 172.455 175.314 -2.859 19792 1187 1 3 . 1 1 31 31 GLY CA C 31 43.505 43.505 46.380 -2.875 19792 1188 1 3 . 1 1 31 31 GLY H H 31 8.294 8.294 8.710 -0.416 19792 1189 1 3 . 1 1 32 32 LYS N N 32 117.309 117.309 118.933 -1.624 19792 1190 1 3 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.165 -0.239 19792 1191 1 3 . 1 1 32 32 LYS C C 32 174.779 174.779 176.197 -1.418 19792 1192 1 3 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.571 -2.871 19792 1193 1 3 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.044 -2.108 19792 1194 1 3 . 1 1 32 32 LYS H H 32 6.846 6.846 8.203 -1.357 19792 1195 1 3 . 1 1 33 33 TYR N N 33 115.635 115.635 118.666 -3.031 19792 1196 1 3 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.576 -0.459 19792 1197 1 3 . 1 1 33 33 TYR C C 33 171.935 171.935 174.893 -2.958 19792 1198 1 3 . 1 1 33 33 TYR CA C 33 56.609 56.609 57.813 -1.204 19792 1199 1 3 . 1 1 33 33 TYR CB C 33 35.735 35.735 39.839 -4.104 19792 1200 1 3 . 1 1 33 33 TYR H H 33 7.593 7.593 7.673 -0.080 19792 1201 1 3 . 1 1 34 34 GLY N N 34 104.503 104.503 107.043 -2.540 19792 1202 1 3 . 1 1 34 34 GLY C C 34 168.962 168.962 172.979 -4.017 19792 1203 1 3 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.320 -3.757 19792 1204 1 3 . 1 1 34 34 GLY H H 34 7.253 7.253 7.412 -0.159 19792 1205 1 3 . 1 1 35 35 ARG N N 35 116.679 116.679 120.886 -4.207 19792 1206 1 3 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.842 -0.727 19792 1207 1 3 . 1 1 35 35 ARG C C 35 174.272 174.272 174.873 -0.601 19792 1208 1 3 . 1 1 35 35 ARG CA C 35 54.785 54.785 55.486 -0.701 19792 1209 1 3 . 1 1 35 35 ARG CB C 35 27.958 27.958 33.305 -5.347 19792 1210 1 3 . 1 1 35 35 ARG H H 35 8.196 8.196 8.773 -0.577 19792 1211 1 3 . 1 1 36 36 ILE N N 36 128.885 128.885 124.523 4.362 19792 1212 1 3 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.358 -0.531 19792 1213 1 3 . 1 1 36 36 ILE C C 36 173.725 173.725 176.606 -2.881 19792 1214 1 3 . 1 1 36 36 ILE CA C 36 57.740 57.740 61.590 -3.850 19792 1215 1 3 . 1 1 36 36 ILE CB C 36 37.006 37.006 39.342 -2.336 19792 1216 1 3 . 1 1 36 36 ILE H H 36 8.760 8.760 8.849 -0.089 19792 1217 1 3 . 1 1 37 37 VAL N N 37 122.612 122.612 120.254 2.358 19792 1218 1 3 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.451 -0.368 19792 1219 1 3 . 1 1 37 37 VAL C C 37 172.917 172.917 175.404 -2.487 19792 1220 1 3 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.548 -2.202 19792 1221 1 3 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.220 -2.845 19792 1222 1 3 . 1 1 37 37 VAL H H 37 8.751 8.751 8.600 0.151 19792 1223 1 3 . 1 1 38 38 GLU N N 38 118.683 118.683 121.165 -2.482 19792 1224 1 3 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.531 -0.163 19792 1225 1 3 . 1 1 38 38 GLU C C 38 170.647 170.647 174.005 -3.358 19792 1226 1 3 . 1 1 38 38 GLU CA C 38 53.636 53.636 56.021 -2.385 19792 1227 1 3 . 1 1 38 38 GLU CB C 38 31.112 31.112 32.489 -1.377 19792 1228 1 3 . 1 1 38 38 GLU H H 38 7.075 7.075 7.992 -0.917 19792 1229 1 3 . 1 1 39 39 VAL N N 39 125.880 125.880 123.063 2.817 19792 1230 1 3 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.102 0.217 19792 1231 1 3 . 1 1 39 39 VAL C C 39 170.693 170.693 174.413 -3.720 19792 1232 1 3 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.366 -2.310 19792 1233 1 3 . 1 1 39 39 VAL CB C 39 31.077 31.077 34.206 -3.130 19792 1234 1 3 . 1 1 39 39 VAL H H 39 8.509 8.509 8.371 0.138 19792 1235 1 3 . 1 1 40 40 LEU N N 40 129.331 129.331 128.062 1.269 19792 1236 1 3 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.661 0.014 19792 1237 1 3 . 1 1 40 40 LEU C C 40 171.627 171.627 174.517 -2.890 19792 1238 1 3 . 1 1 40 40 LEU CA C 40 50.744 50.744 53.411 -2.667 19792 1239 1 3 . 1 1 40 40 LEU CB C 40 42.066 42.066 44.738 -2.672 19792 1240 1 3 . 1 1 40 40 LEU H H 40 8.928 8.928 8.878 0.050 19792 1241 1 3 . 1 1 41 41 LEU N N 41 128.574 128.574 125.646 2.928 19792 1242 1 3 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.435 -0.095 19792 1243 1 3 . 1 1 41 41 LEU C C 41 172.935 172.935 175.624 -2.689 19792 1244 1 3 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.483 -3.607 19792 1245 1 3 . 1 1 41 41 LEU CB C 41 41.547 41.547 44.103 -2.556 19792 1246 1 3 . 1 1 41 41 LEU H H 41 9.023 9.023 8.399 0.624 19792 1247 1 3 . 1 1 42 42 MET N N 42 125.617 125.617 124.401 1.216 19792 1248 1 3 . 1 1 42 42 MET HA H 42 4.357 4.357 4.620 -0.263 19792 1249 1 3 . 1 1 42 42 MET C C 42 172.606 172.606 175.004 -2.398 19792 1250 1 3 . 1 1 42 42 MET CA C 42 51.857 51.857 53.347 -1.490 19792 1251 1 3 . 1 1 42 42 MET CB C 42 27.700 27.700 32.106 -4.406 19792 1252 1 3 . 1 1 42 42 MET H H 42 7.988 7.988 8.267 -0.279 19792 1253 1 3 . 1 1 43 43 LYS N N 43 121.956 121.956 123.675 -1.719 19792 1254 1 3 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.851 -0.092 19792 1255 1 3 . 1 1 43 43 LYS C C 43 173.591 173.591 175.656 -2.065 19792 1256 1 3 . 1 1 43 43 LYS CA C 43 51.608 51.608 54.943 -3.335 19792 1257 1 3 . 1 1 43 43 LYS CB C 43 33.447 33.447 35.424 -1.977 19792 1258 1 3 . 1 1 43 43 LYS H H 43 8.289 8.289 8.436 -0.147 19792 1259 1 3 . 1 1 44 44 ASP N N 44 123.608 123.608 122.688 0.920 19792 1260 1 3 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.526 -0.055 19792 1261 1 3 . 1 1 44 44 ASP C C 44 174.790 174.790 175.089 -0.299 19792 1262 1 3 . 1 1 44 44 ASP CA C 44 51.279 51.279 55.391 -4.112 19792 1263 1 3 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.192 -2.015 19792 1264 1 3 . 1 1 44 44 ASP H H 44 8.693 8.693 8.853 -0.160 19792 1265 1 3 . 1 1 45 45 ARG N N 45 126.884 126.884 122.726 4.158 19792 1266 1 3 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.498 -0.522 19792 1267 1 3 . 1 1 45 45 ARG C C 45 174.578 174.578 174.998 -0.420 19792 1268 1 3 . 1 1 45 45 ARG CA C 45 55.637 55.637 55.769 -0.132 19792 1269 1 3 . 1 1 45 45 ARG CB C 45 27.544 27.544 29.678 -2.134 19792 1270 1 3 . 1 1 45 45 ARG H H 45 8.875 8.875 8.494 0.381 19792 1271 1 3 . 1 1 46 46 GLU N N 46 117.313 117.313 123.751 -6.438 19792 1272 1 3 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.360 -0.178 19792 1273 1 3 . 1 1 46 46 GLU C C 46 175.625 175.625 175.579 0.046 19792 1274 1 3 . 1 1 46 46 GLU CA C 46 55.628 55.628 57.083 -1.454 19792 1275 1 3 . 1 1 46 46 GLU CB C 46 27.597 27.597 30.513 -2.916 19792 1276 1 3 . 1 1 46 46 GLU H H 46 8.561 8.561 8.776 -0.215 19792 1277 1 3 . 1 1 47 47 THR N N 47 107.019 107.019 111.908 -4.889 19792 1278 1 3 . 1 1 47 47 THR HA H 47 4.277 4.277 4.565 -0.288 19792 1279 1 3 . 1 1 47 47 THR C C 47 173.242 173.242 174.070 -0.828 19792 1280 1 3 . 1 1 47 47 THR CA C 47 58.709 58.709 61.803 -3.094 19792 1281 1 3 . 1 1 47 47 THR CB C 47 67.971 67.971 69.439 -1.468 19792 1282 1 3 . 1 1 47 47 THR H H 47 8.053 8.053 7.962 0.091 19792 1283 1 3 . 1 1 48 48 ASN N N 48 117.468 117.468 116.575 0.893 19792 1284 1 3 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.212 0.123 19792 1285 1 3 . 1 1 48 48 ASN C C 48 171.106 171.106 174.486 -3.380 19792 1286 1 3 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.525 -2.394 19792 1287 1 3 . 1 1 48 48 ASN CB C 48 35.645 35.645 37.217 -1.572 19792 1288 1 3 . 1 1 48 48 ASN H H 48 8.230 8.230 8.673 -0.443 19792 1289 1 3 . 1 1 49 49 LYS N N 49 117.523 117.523 119.311 -1.788 19792 1290 1 3 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.199 0.097 19792 1291 1 3 . 1 1 49 49 LYS C C 49 173.910 173.910 177.344 -3.434 19792 1292 1 3 . 1 1 49 49 LYS CA C 49 52.763 52.763 57.307 -4.544 19792 1293 1 3 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.089 -2.050 19792 1294 1 3 . 1 1 49 49 LYS H H 49 7.517 7.517 7.674 -0.157 19792 1295 1 3 . 1 1 50 50 SER N N 50 115.960 115.960 118.217 -2.257 19792 1296 1 3 . 1 1 50 50 SER HA H 50 4.197 4.197 4.566 -0.369 19792 1297 1 3 . 1 1 50 50 SER C C 50 173.417 173.417 175.986 -2.569 19792 1298 1 3 . 1 1 50 50 SER CA C 50 55.614 55.614 58.937 -3.323 19792 1299 1 3 . 1 1 50 50 SER CB C 50 61.524 61.524 63.554 -2.030 19792 1300 1 3 . 1 1 50 50 SER H H 50 8.705 8.705 8.495 0.210 19792 1301 1 3 . 1 1 51 51 ARG N N 51 124.058 124.058 123.202 0.856 19792 1302 1 3 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.292 0.016 19792 1303 1 3 . 1 1 51 51 ARG C C 51 174.657 174.657 177.326 -2.669 19792 1304 1 3 . 1 1 51 51 ARG CA C 51 53.393 53.393 56.188 -2.795 19792 1305 1 3 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.202 -1.423 19792 1306 1 3 . 1 1 51 51 ARG H H 51 9.023 9.023 8.645 0.378 19792 1307 1 3 . 1 1 52 52 GLY N N 52 106.703 106.703 106.132 0.571 19792 1308 1 3 . 1 1 52 52 GLY C C 52 168.863 168.863 173.235 -4.372 19792 1309 1 3 . 1 1 52 52 GLY CA C 52 42.919 42.919 45.567 -2.648 19792 1310 1 3 . 1 1 52 52 GLY H H 52 9.129 9.129 8.654 0.475 19792 1311 1 3 . 1 1 53 53 PHE N N 53 112.307 112.307 115.710 -3.403 19792 1312 1 3 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.446 -0.203 19792 1313 1 3 . 1 1 53 53 PHE C C 53 169.552 169.552 172.746 -3.194 19792 1314 1 3 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.817 -2.722 19792 1315 1 3 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.653 -2.739 19792 1316 1 3 . 1 1 53 53 PHE H H 53 6.845 6.845 7.285 -0.440 19792 1317 1 3 . 1 1 54 54 ALA N N 54 120.987 120.987 120.346 0.641 19792 1318 1 3 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.295 0.599 19792 1319 1 3 . 1 1 54 54 ALA C C 54 171.062 171.062 174.242 -3.180 19792 1320 1 3 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.389 -4.340 19792 1321 1 3 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.488 0.338 19792 1322 1 3 . 1 1 54 54 ALA H H 54 8.970 8.970 8.585 0.385 19792 1323 1 3 . 1 1 55 55 PHE N N 55 114.157 114.157 119.558 -5.401 19792 1324 1 3 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.889 0.879 19792 1325 1 3 . 1 1 55 55 PHE C C 55 173.605 173.605 172.813 0.792 19792 1326 1 3 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.638 -3.558 19792 1327 1 3 . 1 1 55 55 PHE CB C 55 40.029 40.029 42.998 -2.970 19792 1328 1 3 . 1 1 55 55 PHE H H 55 8.837 8.837 8.529 0.308 19792 1329 1 3 . 1 1 56 56 VAL N N 56 123.812 123.812 122.926 0.886 19792 1330 1 3 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.213 0.261 19792 1331 1 3 . 1 1 56 56 VAL C C 56 171.401 171.401 173.256 -1.855 19792 1332 1 3 . 1 1 56 56 VAL CA C 56 57.848 57.848 58.948 -1.100 19792 1333 1 3 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.064 -2.537 19792 1334 1 3 . 1 1 56 56 VAL H H 56 8.558 8.558 8.182 0.376 19792 1335 1 3 . 1 1 57 57 THR N N 57 123.000 123.000 116.849 6.151 19792 1336 1 3 . 1 1 57 57 THR HA H 57 4.974 4.974 4.955 0.019 19792 1337 1 3 . 1 1 57 57 THR C C 57 171.340 171.340 173.315 -1.975 19792 1338 1 3 . 1 1 57 57 THR CA C 57 58.659 58.659 60.948 -2.289 19792 1339 1 3 . 1 1 57 57 THR CB C 57 66.662 66.662 72.223 -5.561 19792 1340 1 3 . 1 1 57 57 THR H H 57 8.808 8.808 7.705 1.103 19792 1341 1 3 . 1 1 58 58 PHE N N 58 128.385 128.385 120.019 8.366 19792 1342 1 3 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.879 -0.196 19792 1343 1 3 . 1 1 58 58 PHE C C 58 172.367 172.367 175.997 -3.630 19792 1344 1 3 . 1 1 58 58 PHE CA C 58 55.449 55.449 56.265 -0.816 19792 1345 1 3 . 1 1 58 58 PHE CB C 58 37.909 37.909 42.003 -4.094 19792 1346 1 3 . 1 1 58 58 PHE H H 58 8.835 8.835 7.955 0.880 19792 1347 1 3 . 1 1 59 59 GLU N N 59 121.627 121.627 120.603 1.024 19792 1348 1 3 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.144 -0.378 19792 1349 1 3 . 1 1 59 59 GLU C C 59 173.666 173.666 175.854 -2.188 19792 1350 1 3 . 1 1 59 59 GLU CA C 59 56.293 56.293 58.535 -2.242 19792 1351 1 3 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.685 -2.898 19792 1352 1 3 . 1 1 59 59 GLU H H 59 8.067 8.067 8.907 -0.840 19792 1353 1 3 . 1 1 60 60 SER N N 60 112.302 112.302 112.047 0.255 19792 1354 1 3 . 1 1 60 60 SER HA H 60 5.163 5.163 4.917 0.246 19792 1355 1 3 . 1 1 60 60 SER CA C 60 50.137 50.137 55.060 -4.923 19792 1356 1 3 . 1 1 60 60 SER CB C 60 61.350 61.350 65.155 -3.805 19792 1357 1 3 . 1 1 60 60 SER H H 60 9.333 9.333 7.544 1.789 19792 1358 1 3 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.460 -0.462 19792 1359 1 3 . 1 1 61 61 PRO CA C 61 61.850 61.850 63.839 -1.989 19792 1360 1 3 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.164 -2.773 19792 1361 1 3 . 1 1 62 62 ALA N N 62 121.088 121.088 122.942 -1.854 19792 1362 1 3 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.064 -0.132 19792 1363 1 3 . 1 1 62 62 ALA C C 62 176.826 176.826 179.223 -2.397 19792 1364 1 3 . 1 1 62 62 ALA CA C 62 52.266 52.266 54.523 -2.256 19792 1365 1 3 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.299 -2.680 19792 1366 1 3 . 1 1 62 62 ALA H H 62 7.821 7.821 8.239 -0.417 19792 1367 1 3 . 1 1 63 63 ASP N N 63 120.099 120.099 119.652 0.447 19792 1368 1 3 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.108 -0.016 19792 1369 1 3 . 1 1 63 63 ASP C C 63 174.505 174.505 177.306 -2.801 19792 1370 1 3 . 1 1 63 63 ASP CA C 63 53.809 53.809 57.123 -3.314 19792 1371 1 3 . 1 1 63 63 ASP CB C 63 37.374 37.374 39.064 -1.690 19792 1372 1 3 . 1 1 63 63 ASP H H 63 6.960 6.960 8.258 -1.298 19792 1373 1 3 . 1 1 64 64 ALA N N 64 119.533 119.533 118.319 1.214 19792 1374 1 3 . 1 1 64 64 ALA HA H 64 3.141 3.141 4.362 -1.221 19792 1375 1 3 . 1 1 64 64 ALA C C 64 176.037 176.037 177.404 -1.367 19792 1376 1 3 . 1 1 64 64 ALA CA C 64 51.399 51.399 53.252 -1.853 19792 1377 1 3 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.503 -2.938 19792 1378 1 3 . 1 1 64 64 ALA H H 64 6.771 6.771 7.440 -0.669 19792 1379 1 3 . 1 1 65 65 LYS N N 65 117.395 117.395 117.275 0.120 19792 1380 1 3 . 1 1 65 65 LYS HA H 65 3.727 3.727 4.234 -0.507 19792 1381 1 3 . 1 1 65 65 LYS C C 65 176.716 176.716 177.729 -1.013 19792 1382 1 3 . 1 1 65 65 LYS CA C 65 56.684 56.684 58.590 -1.906 19792 1383 1 3 . 1 1 65 65 LYS CB C 65 29.183 29.183 33.296 -4.113 19792 1384 1 3 . 1 1 65 65 LYS H H 65 7.478 7.478 7.686 -0.208 19792 1385 1 3 . 1 1 66 66 ASP N N 66 120.839 120.839 120.164 0.675 19792 1386 1 3 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.528 -0.345 19792 1387 1 3 . 1 1 66 66 ASP C C 66 175.111 175.111 177.747 -2.636 19792 1388 1 3 . 1 1 66 66 ASP CA C 66 54.430 54.430 57.147 -2.717 19792 1389 1 3 . 1 1 66 66 ASP CB C 66 37.720 37.720 41.763 -4.043 19792 1390 1 3 . 1 1 66 66 ASP H H 66 7.403 7.403 7.542 -0.139 19792 1391 1 3 . 1 1 67 67 ALA N N 67 122.056 122.056 121.550 0.506 19792 1392 1 3 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.160 -1.000 19792 1393 1 3 . 1 1 67 67 ALA C C 67 176.448 176.448 179.456 -3.008 19792 1394 1 3 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.555 -3.256 19792 1395 1 3 . 1 1 67 67 ALA CB C 67 17.253 17.253 17.973 -0.720 19792 1396 1 3 . 1 1 67 67 ALA H H 67 7.737 7.737 8.233 -0.496 19792 1397 1 3 . 1 1 68 68 ALA N N 68 118.624 118.624 119.634 -1.010 19792 1398 1 3 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.127 -0.428 19792 1399 1 3 . 1 1 68 68 ALA C C 68 176.619 176.619 178.278 -1.659 19792 1400 1 3 . 1 1 68 68 ALA CA C 68 52.280 52.280 54.389 -2.109 19792 1401 1 3 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.530 -3.681 19792 1402 1 3 . 1 1 68 68 ALA H H 68 8.108 8.108 8.143 -0.035 19792 1403 1 3 . 1 1 69 69 ARG N N 69 116.265 116.265 118.209 -1.944 19792 1404 1 3 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.140 -0.208 19792 1405 1 3 . 1 1 69 69 ARG C C 69 175.857 175.857 178.677 -2.820 19792 1406 1 3 . 1 1 69 69 ARG CA C 69 55.734 55.734 58.870 -3.136 19792 1407 1 3 . 1 1 69 69 ARG CB C 69 27.249 27.249 30.700 -3.450 19792 1408 1 3 . 1 1 69 69 ARG H H 69 7.599 7.599 7.642 -0.043 19792 1409 1 3 . 1 1 70 70 ASP N N 70 116.202 116.202 119.642 -3.440 19792 1410 1 3 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.563 -0.008 19792 1411 1 3 . 1 1 70 70 ASP C C 70 174.867 174.867 177.292 -2.425 19792 1412 1 3 . 1 1 70 70 ASP CA C 70 53.314 53.314 57.006 -3.692 19792 1413 1 3 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.193 -1.354 19792 1414 1 3 . 1 1 70 70 ASP H H 70 7.657 7.657 8.500 -0.843 19792 1415 1 3 . 1 1 71 71 MET N N 71 111.561 111.561 115.173 -3.612 19792 1416 1 3 . 1 1 71 71 MET HA H 71 4.742 4.742 4.495 0.247 19792 1417 1 3 . 1 1 71 71 MET C C 71 175.174 175.174 175.799 -0.625 19792 1418 1 3 . 1 1 71 71 MET CA C 71 50.378 50.378 55.829 -5.451 19792 1419 1 3 . 1 1 71 71 MET CB C 71 29.047 29.047 33.285 -4.238 19792 1420 1 3 . 1 1 71 71 MET H H 71 8.069 8.069 7.461 0.608 19792 1421 1 3 . 1 1 72 72 ASN N N 72 116.196 116.196 118.346 -2.150 19792 1422 1 3 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.786 -0.505 19792 1423 1 3 . 1 1 72 72 ASN C C 72 173.812 173.812 177.014 -3.202 19792 1424 1 3 . 1 1 72 72 ASN CA C 72 53.826 53.826 54.793 -0.967 19792 1425 1 3 . 1 1 72 72 ASN CB C 72 35.885 35.885 39.456 -3.571 19792 1426 1 3 . 1 1 72 72 ASN H H 72 7.442 7.442 7.491 -0.049 19792 1427 1 3 . 1 1 73 73 GLY N N 73 116.956 116.956 112.143 4.813 19792 1428 1 3 . 1 1 73 73 GLY C C 73 171.629 171.629 174.265 -2.636 19792 1429 1 3 . 1 1 73 73 GLY CA C 73 43.091 43.091 46.172 -3.081 19792 1430 1 3 . 1 1 73 73 GLY H H 73 8.884 8.884 8.796 0.088 19792 1431 1 3 . 1 1 74 74 LYS N N 74 120.829 120.829 120.669 0.160 19792 1432 1 3 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.248 -0.008 19792 1433 1 3 . 1 1 74 74 LYS C C 74 172.132 172.132 176.046 -3.914 19792 1434 1 3 . 1 1 74 74 LYS CA C 74 52.333 52.333 56.137 -3.804 19792 1435 1 3 . 1 1 74 74 LYS CB C 74 30.131 30.131 33.428 -3.297 19792 1436 1 3 . 1 1 74 74 LYS H H 74 7.797 7.797 7.692 0.105 19792 1437 1 3 . 1 1 75 75 SER N N 75 112.883 112.883 115.734 -2.851 19792 1438 1 3 . 1 1 75 75 SER HA H 75 4.940 4.940 5.181 -0.241 19792 1439 1 3 . 1 1 75 75 SER C C 75 171.838 171.838 173.507 -1.669 19792 1440 1 3 . 1 1 75 75 SER CA C 75 54.722 54.722 56.736 -2.014 19792 1441 1 3 . 1 1 75 75 SER CB C 75 61.242 61.242 64.718 -3.476 19792 1442 1 3 . 1 1 75 75 SER H H 75 8.037 8.037 8.262 -0.225 19792 1443 1 3 . 1 1 76 76 LEU N N 76 127.669 127.669 125.451 2.218 19792 1444 1 3 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.708 -0.272 19792 1445 1 3 . 1 1 76 76 LEU C C 76 173.849 173.849 175.940 -2.091 19792 1446 1 3 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.665 -3.890 19792 1447 1 3 . 1 1 76 76 LEU CB C 76 41.886 41.886 44.393 -2.507 19792 1448 1 3 . 1 1 76 76 LEU H H 76 8.988 8.988 8.509 0.479 19792 1449 1 3 . 1 1 77 77 ASP N N 77 129.054 129.054 127.066 1.988 19792 1450 1 3 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.312 -0.138 19792 1451 1 3 . 1 1 77 77 ASP C C 77 173.415 173.415 176.324 -2.909 19792 1452 1 3 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.353 -2.477 19792 1453 1 3 . 1 1 77 77 ASP CB C 77 36.413 36.413 40.055 -3.642 19792 1454 1 3 . 1 1 77 77 ASP H H 77 9.523 9.523 9.176 0.347 19792 1455 1 3 . 1 1 78 78 GLY N N 78 101.915 101.915 104.152 -2.237 19792 1456 1 3 . 1 1 78 78 GLY C C 78 170.989 170.989 174.055 -3.066 19792 1457 1 3 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.245 -2.476 19792 1458 1 3 . 1 1 78 78 GLY H H 78 8.396 8.396 8.159 0.237 19792 1459 1 3 . 1 1 79 79 LYS N N 79 119.791 119.791 122.474 -2.683 19792 1460 1 3 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.532 0.014 19792 1461 1 3 . 1 1 79 79 LYS C C 79 171.513 171.513 175.595 -4.082 19792 1462 1 3 . 1 1 79 79 LYS CA C 79 50.277 50.277 54.009 -3.732 19792 1463 1 3 . 1 1 79 79 LYS CB C 79 31.955 31.955 32.666 -0.711 19792 1464 1 3 . 1 1 79 79 LYS H H 79 7.269 7.269 7.785 -0.516 19792 1465 1 3 . 1 1 80 80 ALA N N 80 125.002 125.002 129.271 -4.269 19792 1466 1 3 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.393 -0.028 19792 1467 1 3 . 1 1 80 80 ALA C C 80 175.007 175.007 177.067 -2.060 19792 1468 1 3 . 1 1 80 80 ALA CA C 80 48.381 48.381 52.669 -4.288 19792 1469 1 3 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.658 -3.443 19792 1470 1 3 . 1 1 80 80 ALA H H 80 8.235 8.235 8.920 -0.685 19792 1471 1 3 . 1 1 81 81 ILE N N 81 119.947 119.947 118.437 1.510 19792 1472 1 3 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.931 -0.317 19792 1473 1 3 . 1 1 81 81 ILE C C 81 172.389 172.389 174.782 -2.393 19792 1474 1 3 . 1 1 81 81 ILE CA C 81 57.921 57.921 59.365 -1.444 19792 1475 1 3 . 1 1 81 81 ILE CB C 81 37.547 37.547 40.984 -3.438 19792 1476 1 3 . 1 1 81 81 ILE H H 81 8.204 8.204 8.632 -0.428 19792 1477 1 3 . 1 1 82 82 LYS N N 82 123.700 123.700 120.616 3.084 19792 1478 1 3 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.808 0.038 19792 1479 1 3 . 1 1 82 82 LYS C C 82 172.571 172.571 174.842 -2.271 19792 1480 1 3 . 1 1 82 82 LYS CA C 82 51.341 51.341 54.889 -3.548 19792 1481 1 3 . 1 1 82 82 LYS CB C 82 31.948 31.948 36.116 -4.168 19792 1482 1 3 . 1 1 82 82 LYS H H 82 8.460 8.460 8.246 0.214 19792 1483 1 3 . 1 1 83 83 VAL N N 83 123.707 123.707 121.779 1.928 19792 1484 1 3 . 1 1 83 83 VAL HA H 83 5.068 5.068 5.111 -0.043 19792 1485 1 3 . 1 1 83 83 VAL C C 83 171.831 171.831 175.137 -3.306 19792 1486 1 3 . 1 1 83 83 VAL CA C 83 57.954 57.954 60.774 -2.820 19792 1487 1 3 . 1 1 83 83 VAL CB C 83 31.979 31.979 34.095 -2.116 19792 1488 1 3 . 1 1 83 83 VAL H H 83 8.653 8.653 8.585 0.068 19792 1489 1 3 . 1 1 84 84 GLU N N 84 123.150 123.150 124.900 -1.750 19792 1490 1 3 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.808 -0.124 19792 1491 1 3 . 1 1 84 84 GLU C C 84 172.141 172.141 174.805 -2.664 19792 1492 1 3 . 1 1 84 84 GLU CA C 84 51.305 51.305 54.038 -2.733 19792 1493 1 3 . 1 1 84 84 GLU CB C 84 31.690 31.690 33.279 -1.589 19792 1494 1 3 . 1 1 84 84 GLU H H 84 8.977 8.977 9.125 -0.148 19792 1495 1 3 . 1 1 85 85 GLN N N 85 121.740 121.740 118.926 2.814 19792 1496 1 3 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.745 -0.496 19792 1497 1 3 . 1 1 85 85 GLN C C 85 173.263 173.263 175.796 -2.533 19792 1498 1 3 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.892 -0.635 19792 1499 1 3 . 1 1 85 85 GLN CB C 85 26.519 26.519 29.652 -3.133 19792 1500 1 3 . 1 1 85 85 GLN H H 85 8.835 8.835 8.732 0.102 19792 1501 1 3 . 1 1 86 86 ALA N N 86 127.885 127.885 130.837 -2.952 19792 1502 1 3 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.415 0.019 19792 1503 1 3 . 1 1 86 86 ALA C C 86 174.487 174.487 176.121 -1.634 19792 1504 1 3 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.358 -2.342 19792 1505 1 3 . 1 1 86 86 ALA CB C 86 16.340 16.340 17.436 -1.096 19792 1506 1 3 . 1 1 86 86 ALA H H 86 8.608 8.608 8.805 -0.197 19792 1507 1 3 . 1 1 87 87 THR N N 87 113.372 113.372 113.849 -0.477 19792 1508 1 3 . 1 1 87 87 THR HA H 87 4.339 4.339 4.619 -0.280 19792 1509 1 3 . 1 1 87 87 THR C C 87 171.331 171.331 172.941 -1.610 19792 1510 1 3 . 1 1 87 87 THR CA C 87 58.219 58.219 61.313 -3.094 19792 1511 1 3 . 1 1 87 87 THR CB C 87 67.397 67.397 70.085 -2.688 19792 1512 1 3 . 1 1 87 87 THR H H 87 8.271 8.271 7.896 0.375 19792 1513 1 3 . 1 1 88 88 LYS N N 88 123.502 123.502 121.956 1.546 19792 1514 1 3 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.770 -0.297 19792 1515 1 3 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.623 -2.011 19792 1516 1 3 . 1 1 88 88 LYS CB C 88 29.867 29.867 33.017 -3.150 19792 1517 1 3 . 1 1 88 88 LYS H H 88 8.203 8.203 8.291 -0.088 19792 1518 1 3 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.482 -0.288 19792 1519 1 3 . 1 1 89 89 PRO C C 89 173.726 173.726 176.688 -2.962 19792 1520 1 3 . 1 1 89 89 PRO CA C 89 60.070 60.070 64.330 -4.260 19792 1521 1 3 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.317 -3.002 19792 1522 1 3 . 1 1 90 90 SER N N 90 115.260 115.260 114.120 1.140 19792 1523 1 3 . 1 1 90 90 SER HA H 90 4.229 4.229 4.585 -0.356 19792 1524 1 3 . 1 1 90 90 SER C C 90 171.123 171.123 172.856 -1.733 19792 1525 1 3 . 1 1 90 90 SER CA C 90 55.017 55.017 57.964 -2.947 19792 1526 1 3 . 1 1 90 90 SER CB C 90 60.977 60.977 63.782 -2.805 19792 1527 1 3 . 1 1 90 90 SER H H 90 7.991 7.991 8.019 -0.028 19792 1528 1 3 . 1 1 91 91 PHE N N 91 121.128 121.128 122.947 -1.819 19792 1529 1 3 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.445 0.082 19792 1530 1 3 . 1 1 91 91 PHE C C 91 171.798 171.798 176.099 -4.301 19792 1531 1 3 . 1 1 91 91 PHE CA C 91 54.467 54.467 57.305 -2.838 19792 1532 1 3 . 1 1 91 91 PHE CB C 91 37.008 37.008 39.396 -2.388 19792 1533 1 3 . 1 1 91 91 PHE H H 91 8.004 8.004 8.457 -0.453 19792 1534 1 4 . 1 1 2 2 HIS HA H 2 4.596 4.596 5.407 -0.811 19792 1535 1 4 . 1 1 2 2 HIS C C 2 171.930 171.930 174.822 -2.892 19792 1536 1 4 . 1 1 2 2 HIS CA C 2 52.879 52.879 55.680 -2.801 19792 1537 1 4 . 1 1 2 2 HIS CB C 2 27.693 27.693 31.801 -4.108 19792 1538 1 4 . 1 1 3 3 MET N N 3 122.778 122.778 120.476 2.302 19792 1539 1 4 . 1 1 3 3 MET HA H 3 4.365 4.365 4.635 -0.270 19792 1540 1 4 . 1 1 3 3 MET C C 3 173.051 173.051 173.726 -0.675 19792 1541 1 4 . 1 1 3 3 MET CA C 3 52.457 52.457 55.090 -2.634 19792 1542 1 4 . 1 1 3 3 MET CB C 3 30.267 30.267 35.068 -4.801 19792 1543 1 4 . 1 1 3 3 MET H H 3 8.407 8.407 8.398 0.009 19792 1544 1 4 . 1 1 4 4 VAL N N 4 121.985 121.985 121.555 0.430 19792 1545 1 4 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.375 -0.383 19792 1546 1 4 . 1 1 4 4 VAL C C 4 173.161 173.161 175.277 -2.116 19792 1547 1 4 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.772 -3.583 19792 1548 1 4 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.648 -2.334 19792 1549 1 4 . 1 1 4 4 VAL H H 4 8.170 8.170 8.663 -0.493 19792 1550 1 4 . 1 1 5 5 GLU N N 5 124.990 124.990 123.283 1.707 19792 1551 1 4 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.527 -0.365 19792 1552 1 4 . 1 1 5 5 GLU C C 5 173.208 173.208 175.172 -1.964 19792 1553 1 4 . 1 1 5 5 GLU CA C 5 53.271 53.271 55.903 -2.632 19792 1554 1 4 . 1 1 5 5 GLU CB C 5 27.861 27.861 29.166 -1.305 19792 1555 1 4 . 1 1 5 5 GLU H H 5 8.469 8.469 8.503 -0.034 19792 1556 1 4 . 1 1 6 6 ALA N N 6 124.750 124.750 126.836 -2.086 19792 1557 1 4 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.657 -0.522 19792 1558 1 4 . 1 1 6 6 ALA C C 6 174.516 174.516 175.766 -1.250 19792 1559 1 4 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.883 -2.312 19792 1560 1 4 . 1 1 6 6 ALA CB C 6 16.604 16.604 20.638 -4.034 19792 1561 1 4 . 1 1 6 6 ALA H H 6 8.229 8.229 8.201 0.028 19792 1562 1 4 . 1 1 7 7 ASP N N 7 119.477 119.477 118.397 1.080 19792 1563 1 4 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.812 -0.382 19792 1564 1 4 . 1 1 7 7 ASP C C 7 173.005 173.005 174.882 -1.877 19792 1565 1 4 . 1 1 7 7 ASP CA C 7 51.032 51.032 53.636 -2.604 19792 1566 1 4 . 1 1 7 7 ASP CB C 7 38.658 38.658 42.480 -3.822 19792 1567 1 4 . 1 1 7 7 ASP H H 7 8.172 8.172 8.037 0.135 19792 1568 1 4 . 1 1 8 8 ARG N N 8 121.454 121.454 121.117 0.337 19792 1569 1 4 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.686 -0.583 19792 1570 1 4 . 1 1 8 8 ARG CA C 8 54.708 54.708 55.438 -0.730 19792 1571 1 4 . 1 1 8 8 ARG CB C 8 27.813 27.813 31.518 -3.705 19792 1572 1 4 . 1 1 8 8 ARG H H 8 8.168 8.168 8.545 -0.377 19792 1573 1 4 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.588 -0.175 19792 1574 1 4 . 1 1 9 9 PRO C C 9 174.662 174.662 175.494 -0.832 19792 1575 1 4 . 1 1 9 9 PRO CA C 9 60.806 60.806 63.042 -2.236 19792 1576 1 4 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.328 -0.857 19792 1577 1 4 . 1 1 10 10 GLY N N 10 108.287 108.287 109.107 -0.820 19792 1578 1 4 . 1 1 10 10 GLY C C 10 169.715 169.715 172.713 -2.998 19792 1579 1 4 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.147 -2.618 19792 1580 1 4 . 1 1 10 10 GLY H H 10 8.769 8.769 8.320 0.449 19792 1581 1 4 . 1 1 11 11 LYS N N 11 122.177 122.177 122.822 -0.645 19792 1582 1 4 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.867 -0.003 19792 1583 1 4 . 1 1 11 11 LYS C C 11 172.419 172.419 175.277 -2.858 19792 1584 1 4 . 1 1 11 11 LYS CA C 11 53.417 53.417 55.931 -2.514 19792 1585 1 4 . 1 1 11 11 LYS CB C 11 32.058 32.058 34.378 -2.320 19792 1586 1 4 . 1 1 11 11 LYS H H 11 7.753 7.753 7.848 -0.095 19792 1587 1 4 . 1 1 12 12 LEU N N 12 127.116 127.116 123.675 3.441 19792 1588 1 4 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.681 0.258 19792 1589 1 4 . 1 1 12 12 LEU C C 12 173.185 173.185 175.503 -2.318 19792 1590 1 4 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.453 -3.152 19792 1591 1 4 . 1 1 12 12 LEU CB C 12 42.075 42.075 45.317 -3.242 19792 1592 1 4 . 1 1 12 12 LEU H H 12 9.465 9.465 7.921 1.544 19792 1593 1 4 . 1 1 13 13 PHE N N 13 122.922 122.922 122.901 0.021 19792 1594 1 4 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.994 -0.282 19792 1595 1 4 . 1 1 13 13 PHE C C 13 170.330 170.330 173.404 -3.074 19792 1596 1 4 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.004 -2.962 19792 1597 1 4 . 1 1 13 13 PHE CB C 13 38.520 38.520 42.273 -3.753 19792 1598 1 4 . 1 1 13 13 PHE H H 13 9.213 9.213 8.968 0.245 19792 1599 1 4 . 1 1 14 14 ILE N N 14 128.128 128.128 127.590 0.538 19792 1600 1 4 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.352 -0.537 19792 1601 1 4 . 1 1 14 14 ILE C C 14 171.441 171.441 174.871 -3.430 19792 1602 1 4 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.721 -4.310 19792 1603 1 4 . 1 1 14 14 ILE CB C 14 36.448 36.448 41.122 -4.674 19792 1604 1 4 . 1 1 14 14 ILE H H 14 8.304 8.304 8.100 0.204 19792 1605 1 4 . 1 1 15 15 GLY N N 15 110.945 110.945 112.286 -1.341 19792 1606 1 4 . 1 1 15 15 GLY C C 15 170.863 170.863 174.562 -3.699 19792 1607 1 4 . 1 1 15 15 GLY CA C 15 40.913 40.913 43.632 -2.719 19792 1608 1 4 . 1 1 15 15 GLY H H 15 8.965 8.965 8.827 0.138 19792 1609 1 4 . 1 1 16 16 GLY N N 16 107.025 107.025 107.771 -0.746 19792 1610 1 4 . 1 1 16 16 GLY C C 16 172.134 172.134 174.862 -2.728 19792 1611 1 4 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.901 -3.039 19792 1612 1 4 . 1 1 16 16 GLY H H 16 7.865 7.865 8.228 -0.363 19792 1613 1 4 . 1 1 17 17 LEU N N 17 115.104 115.104 119.720 -4.616 19792 1614 1 4 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.274 -0.362 19792 1615 1 4 . 1 1 17 17 LEU C C 17 176.024 176.024 176.401 -0.377 19792 1616 1 4 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.292 -2.709 19792 1617 1 4 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.846 -2.677 19792 1618 1 4 . 1 1 17 17 LEU H H 17 7.521 7.521 7.763 -0.242 19792 1619 1 4 . 1 1 18 18 ASN N N 18 120.666 120.666 115.589 5.077 19792 1620 1 4 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.764 -0.378 19792 1621 1 4 . 1 1 18 18 ASN C C 18 176.199 176.199 176.087 0.112 19792 1622 1 4 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.137 -2.835 19792 1623 1 4 . 1 1 18 18 ASN CB C 18 35.692 35.692 39.048 -3.356 19792 1624 1 4 . 1 1 18 18 ASN H H 18 9.528 9.528 8.493 1.035 19792 1625 1 4 . 1 1 19 19 THR N N 19 123.230 123.230 108.682 14.548 19792 1626 1 4 . 1 1 19 19 THR HA H 19 3.699 3.699 4.398 -0.699 19792 1627 1 4 . 1 1 19 19 THR C C 19 172.195 172.195 174.806 -2.611 19792 1628 1 4 . 1 1 19 19 THR CA C 19 62.512 62.512 63.194 -0.682 19792 1629 1 4 . 1 1 19 19 THR CB C 19 65.438 65.438 69.456 -4.018 19792 1630 1 4 . 1 1 19 19 THR H H 19 8.809 8.809 8.493 0.316 19792 1631 1 4 . 1 1 20 20 GLU N N 20 118.055 118.055 120.385 -2.330 19792 1632 1 4 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.572 -0.396 19792 1633 1 4 . 1 1 20 20 GLU C C 20 174.826 174.826 175.383 -0.557 19792 1634 1 4 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.751 -2.570 19792 1635 1 4 . 1 1 20 20 GLU CB C 20 27.076 27.076 29.796 -2.720 19792 1636 1 4 . 1 1 20 20 GLU H H 20 8.703 8.703 8.112 0.591 19792 1637 1 4 . 1 1 21 21 THR N N 21 119.209 119.209 114.465 4.744 19792 1638 1 4 . 1 1 21 21 THR HA H 21 3.930 3.930 4.533 -0.603 19792 1639 1 4 . 1 1 21 21 THR C C 21 171.688 171.688 172.671 -0.983 19792 1640 1 4 . 1 1 21 21 THR CA C 21 61.882 61.882 61.325 0.557 19792 1641 1 4 . 1 1 21 21 THR CB C 21 65.397 65.397 70.863 -5.466 19792 1642 1 4 . 1 1 21 21 THR H H 21 7.514 7.514 7.652 -0.138 19792 1643 1 4 . 1 1 22 22 ASN N N 22 126.624 126.624 120.778 5.846 19792 1644 1 4 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.932 -0.163 19792 1645 1 4 . 1 1 22 22 ASN C C 22 172.032 172.032 176.222 -4.190 19792 1646 1 4 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.088 -4.382 19792 1647 1 4 . 1 1 22 22 ASN CB C 22 37.373 37.373 40.168 -2.795 19792 1648 1 4 . 1 1 22 22 ASN H H 22 8.031 8.031 8.408 -0.377 19792 1649 1 4 . 1 1 23 23 GLU N N 23 118.056 118.056 121.806 -3.750 19792 1650 1 4 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.849 -0.282 19792 1651 1 4 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.108 -1.324 19792 1652 1 4 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.536 -3.674 19792 1653 1 4 . 1 1 23 23 GLU H H 23 10.151 10.151 8.902 1.249 19792 1654 1 4 . 1 1 24 24 LYS N N 24 118.897 118.897 116.870 2.027 19792 1655 1 4 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.410 -0.405 19792 1656 1 4 . 1 1 24 24 LYS C C 24 176.843 176.843 177.223 -0.380 19792 1657 1 4 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.094 -2.363 19792 1658 1 4 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.880 -2.509 19792 1659 1 4 . 1 1 24 24 LYS H H 24 7.839 7.839 8.176 -0.337 19792 1660 1 4 . 1 1 25 25 ALA N N 25 123.210 123.210 119.865 3.345 19792 1661 1 4 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.435 -0.266 19792 1662 1 4 . 1 1 25 25 ALA C C 25 178.048 178.048 178.440 -0.392 19792 1663 1 4 . 1 1 25 25 ALA CA C 25 51.868 51.868 53.065 -1.197 19792 1664 1 4 . 1 1 25 25 ALA CB C 25 16.139 16.139 19.811 -3.672 19792 1665 1 4 . 1 1 25 25 ALA H H 25 7.827 7.827 7.778 0.049 19792 1666 1 4 . 1 1 26 26 LEU N N 26 116.466 116.466 120.579 -4.113 19792 1667 1 4 . 1 1 26 26 LEU HA H 26 4.024 4.024 3.872 0.152 19792 1668 1 4 . 1 1 26 26 LEU C C 26 176.375 176.375 178.772 -2.397 19792 1669 1 4 . 1 1 26 26 LEU CA C 26 54.958 54.958 58.117 -3.159 19792 1670 1 4 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.677 -1.976 19792 1671 1 4 . 1 1 26 26 LEU H H 26 7.652 7.652 8.015 -0.363 19792 1672 1 4 . 1 1 27 27 GLU N N 27 119.789 119.789 119.424 0.365 19792 1673 1 4 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.882 -0.291 19792 1674 1 4 . 1 1 27 27 GLU C C 27 176.206 176.206 178.722 -2.516 19792 1675 1 4 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.917 -2.845 19792 1676 1 4 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.229 -2.162 19792 1677 1 4 . 1 1 27 27 GLU H H 27 8.480 8.480 8.055 0.425 19792 1678 1 4 . 1 1 28 28 ALA N N 28 120.599 120.599 119.182 1.417 19792 1679 1 4 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.274 -0.235 19792 1680 1 4 . 1 1 28 28 ALA C C 28 177.506 177.506 178.815 -1.309 19792 1681 1 4 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.022 -2.115 19792 1682 1 4 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.256 -2.849 19792 1683 1 4 . 1 1 28 28 ALA H H 28 7.837 7.837 7.343 0.494 19792 1684 1 4 . 1 1 29 29 VAL N N 29 115.536 115.536 118.126 -2.590 19792 1685 1 4 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.749 0.077 19792 1686 1 4 . 1 1 29 29 VAL C C 29 174.998 174.998 177.966 -2.968 19792 1687 1 4 . 1 1 29 29 VAL CA C 29 61.999 61.999 65.825 -3.826 19792 1688 1 4 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.950 -2.072 19792 1689 1 4 . 1 1 29 29 VAL H H 29 7.626 7.626 7.446 0.180 19792 1690 1 4 . 1 1 30 30 PHE N N 30 115.465 115.465 116.533 -1.068 19792 1691 1 4 . 1 1 30 30 PHE HA H 30 4.482 4.482 5.104 -0.622 19792 1692 1 4 . 1 1 30 30 PHE C C 30 174.725 174.725 177.903 -3.178 19792 1693 1 4 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.849 0.779 19792 1694 1 4 . 1 1 30 30 PHE CB C 30 35.394 35.394 39.564 -4.170 19792 1695 1 4 . 1 1 30 30 PHE H H 30 8.514 8.514 8.272 0.242 19792 1696 1 4 . 1 1 31 31 GLY N N 31 108.299 108.299 108.552 -0.253 19792 1697 1 4 . 1 1 31 31 GLY C C 31 172.455 172.455 174.855 -2.400 19792 1698 1 4 . 1 1 31 31 GLY CA C 31 43.505 43.505 46.988 -3.483 19792 1699 1 4 . 1 1 31 31 GLY H H 31 8.294 8.294 8.500 -0.206 19792 1700 1 4 . 1 1 32 32 LYS N N 32 117.309 117.309 118.374 -1.065 19792 1701 1 4 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.018 -0.092 19792 1702 1 4 . 1 1 32 32 LYS C C 32 174.779 174.779 176.861 -2.082 19792 1703 1 4 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.354 -2.654 19792 1704 1 4 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.852 -2.917 19792 1705 1 4 . 1 1 32 32 LYS H H 32 6.846 6.846 7.942 -1.096 19792 1706 1 4 . 1 1 33 33 TYR N N 33 115.635 115.635 121.715 -6.080 19792 1707 1 4 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.537 -0.420 19792 1708 1 4 . 1 1 33 33 TYR C C 33 171.935 171.935 175.144 -3.209 19792 1709 1 4 . 1 1 33 33 TYR CA C 33 56.609 56.609 57.755 -1.146 19792 1710 1 4 . 1 1 33 33 TYR CB C 33 35.735 35.735 36.603 -0.868 19792 1711 1 4 . 1 1 33 33 TYR H H 33 7.593 7.593 7.960 -0.367 19792 1712 1 4 . 1 1 34 34 GLY N N 34 104.503 104.503 111.476 -6.973 19792 1713 1 4 . 1 1 34 34 GLY C C 34 168.962 168.962 173.960 -4.998 19792 1714 1 4 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.352 -3.789 19792 1715 1 4 . 1 1 34 34 GLY H H 34 7.253 7.253 7.716 -0.463 19792 1716 1 4 . 1 1 35 35 ARG N N 35 116.679 116.679 122.991 -6.312 19792 1717 1 4 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.755 -0.640 19792 1718 1 4 . 1 1 35 35 ARG C C 35 174.272 174.272 175.278 -1.006 19792 1719 1 4 . 1 1 35 35 ARG CA C 35 54.785 54.785 54.937 -0.152 19792 1720 1 4 . 1 1 35 35 ARG CB C 35 27.958 27.958 32.289 -4.331 19792 1721 1 4 . 1 1 35 35 ARG H H 35 8.196 8.196 9.041 -0.845 19792 1722 1 4 . 1 1 36 36 ILE N N 36 128.885 128.885 125.509 3.376 19792 1723 1 4 . 1 1 36 36 ILE HA H 36 3.827 3.827 3.630 0.197 19792 1724 1 4 . 1 1 36 36 ILE C C 36 173.725 173.725 176.596 -2.871 19792 1725 1 4 . 1 1 36 36 ILE CA C 36 57.740 57.740 63.020 -5.280 19792 1726 1 4 . 1 1 36 36 ILE CB C 36 37.006 37.006 38.326 -1.320 19792 1727 1 4 . 1 1 36 36 ILE H H 36 8.760 8.760 8.800 -0.040 19792 1728 1 4 . 1 1 37 37 VAL N N 37 122.612 122.612 119.563 3.049 19792 1729 1 4 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.424 -0.341 19792 1730 1 4 . 1 1 37 37 VAL C C 37 172.917 172.917 175.025 -2.108 19792 1731 1 4 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.262 -1.916 19792 1732 1 4 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.450 -3.075 19792 1733 1 4 . 1 1 37 37 VAL H H 37 8.751 8.751 8.421 0.330 19792 1734 1 4 . 1 1 38 38 GLU N N 38 118.683 118.683 118.432 0.251 19792 1735 1 4 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.566 -0.198 19792 1736 1 4 . 1 1 38 38 GLU C C 38 170.647 170.647 174.047 -3.400 19792 1737 1 4 . 1 1 38 38 GLU CA C 38 53.636 53.636 56.213 -2.577 19792 1738 1 4 . 1 1 38 38 GLU CB C 38 31.112 31.112 34.431 -3.318 19792 1739 1 4 . 1 1 38 38 GLU H H 38 7.075 7.075 7.512 -0.437 19792 1740 1 4 . 1 1 39 39 VAL N N 39 125.880 125.880 121.974 3.906 19792 1741 1 4 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.252 0.067 19792 1742 1 4 . 1 1 39 39 VAL C C 39 170.693 170.693 174.111 -3.418 19792 1743 1 4 . 1 1 39 39 VAL CA C 39 59.056 59.056 60.580 -1.524 19792 1744 1 4 . 1 1 39 39 VAL CB C 39 31.077 31.077 35.150 -4.073 19792 1745 1 4 . 1 1 39 39 VAL H H 39 8.509 8.509 8.452 0.057 19792 1746 1 4 . 1 1 40 40 LEU N N 40 129.331 129.331 126.639 2.692 19792 1747 1 4 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.960 -0.285 19792 1748 1 4 . 1 1 40 40 LEU C C 40 171.627 171.627 174.677 -3.050 19792 1749 1 4 . 1 1 40 40 LEU CA C 40 50.744 50.744 54.194 -3.450 19792 1750 1 4 . 1 1 40 40 LEU CB C 40 42.066 42.066 45.747 -3.681 19792 1751 1 4 . 1 1 40 40 LEU H H 40 8.928 8.928 8.868 0.060 19792 1752 1 4 . 1 1 41 41 LEU N N 41 128.574 128.574 128.658 -0.084 19792 1753 1 4 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.400 -0.060 19792 1754 1 4 . 1 1 41 41 LEU C C 41 172.935 172.935 175.570 -2.635 19792 1755 1 4 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.606 -3.730 19792 1756 1 4 . 1 1 41 41 LEU CB C 41 41.547 41.547 42.710 -1.163 19792 1757 1 4 . 1 1 41 41 LEU H H 41 9.023 9.023 8.906 0.117 19792 1758 1 4 . 1 1 42 42 MET N N 42 125.617 125.617 124.431 1.186 19792 1759 1 4 . 1 1 42 42 MET HA H 42 4.357 4.357 4.302 0.055 19792 1760 1 4 . 1 1 42 42 MET C C 42 172.606 172.606 175.946 -3.340 19792 1761 1 4 . 1 1 42 42 MET CA C 42 51.857 51.857 54.756 -2.899 19792 1762 1 4 . 1 1 42 42 MET CB C 42 27.700 27.700 32.218 -4.518 19792 1763 1 4 . 1 1 42 42 MET H H 42 7.988 7.988 7.980 0.008 19792 1764 1 4 . 1 1 43 43 LYS N N 43 121.956 121.956 119.512 2.444 19792 1765 1 4 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.521 0.238 19792 1766 1 4 . 1 1 43 43 LYS C C 43 173.591 173.591 175.204 -1.613 19792 1767 1 4 . 1 1 43 43 LYS CA C 43 51.608 51.608 55.342 -3.734 19792 1768 1 4 . 1 1 43 43 LYS CB C 43 33.447 33.447 36.382 -2.935 19792 1769 1 4 . 1 1 43 43 LYS H H 43 8.289 8.289 8.126 0.163 19792 1770 1 4 . 1 1 44 44 ASP N N 44 123.608 123.608 121.805 1.803 19792 1771 1 4 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.771 -0.300 19792 1772 1 4 . 1 1 44 44 ASP C C 44 174.790 174.790 176.937 -2.147 19792 1773 1 4 . 1 1 44 44 ASP CA C 44 51.279 51.279 53.377 -2.098 19792 1774 1 4 . 1 1 44 44 ASP CB C 44 40.177 40.177 43.209 -3.032 19792 1775 1 4 . 1 1 44 44 ASP H H 44 8.693 8.693 8.677 0.016 19792 1776 1 4 . 1 1 45 45 ARG N N 45 126.884 126.884 122.820 4.064 19792 1777 1 4 . 1 1 45 45 ARG HA H 45 3.976 3.976 3.991 -0.015 19792 1778 1 4 . 1 1 45 45 ARG C C 45 174.578 174.578 178.450 -3.872 19792 1779 1 4 . 1 1 45 45 ARG CA C 45 55.637 55.637 59.497 -3.860 19792 1780 1 4 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.370 -2.826 19792 1781 1 4 . 1 1 45 45 ARG H H 45 8.875 8.875 8.705 0.170 19792 1782 1 4 . 1 1 46 46 GLU N N 46 117.313 117.313 118.810 -1.497 19792 1783 1 4 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.129 0.053 19792 1784 1 4 . 1 1 46 46 GLU C C 46 175.625 175.625 177.476 -1.851 19792 1785 1 4 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.817 -3.189 19792 1786 1 4 . 1 1 46 46 GLU CB C 46 27.597 27.597 29.760 -2.163 19792 1787 1 4 . 1 1 46 46 GLU H H 46 8.561 8.561 8.356 0.205 19792 1788 1 4 . 1 1 47 47 THR N N 47 107.019 107.019 109.658 -2.639 19792 1789 1 4 . 1 1 47 47 THR HA H 47 4.277 4.277 4.366 -0.089 19792 1790 1 4 . 1 1 47 47 THR C C 47 173.242 173.242 173.431 -0.189 19792 1791 1 4 . 1 1 47 47 THR CA C 47 58.709 58.709 61.359 -2.650 19792 1792 1 4 . 1 1 47 47 THR CB C 47 67.971 67.971 68.737 -0.766 19792 1793 1 4 . 1 1 47 47 THR H H 47 8.053 8.053 7.760 0.293 19792 1794 1 4 . 1 1 48 48 ASN N N 48 117.468 117.468 119.176 -1.708 19792 1795 1 4 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.490 -0.155 19792 1796 1 4 . 1 1 48 48 ASN C C 48 171.106 171.106 174.931 -3.825 19792 1797 1 4 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.619 -2.489 19792 1798 1 4 . 1 1 48 48 ASN CB C 48 35.645 35.645 37.300 -1.655 19792 1799 1 4 . 1 1 48 48 ASN H H 48 8.230 8.230 7.995 0.235 19792 1800 1 4 . 1 1 49 49 LYS N N 49 117.523 117.523 119.004 -1.481 19792 1801 1 4 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.190 0.106 19792 1802 1 4 . 1 1 49 49 LYS C C 49 173.910 173.910 175.850 -1.940 19792 1803 1 4 . 1 1 49 49 LYS CA C 49 52.763 52.763 56.788 -4.025 19792 1804 1 4 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.288 -2.249 19792 1805 1 4 . 1 1 49 49 LYS H H 49 7.517 7.517 7.929 -0.412 19792 1806 1 4 . 1 1 50 50 SER N N 50 115.960 115.960 116.343 -0.383 19792 1807 1 4 . 1 1 50 50 SER HA H 50 4.197 4.197 4.458 -0.261 19792 1808 1 4 . 1 1 50 50 SER C C 50 173.417 173.417 175.257 -1.840 19792 1809 1 4 . 1 1 50 50 SER CA C 50 55.614 55.614 58.684 -3.070 19792 1810 1 4 . 1 1 50 50 SER CB C 50 61.524 61.524 63.708 -2.183 19792 1811 1 4 . 1 1 50 50 SER H H 50 8.705 8.705 8.692 0.013 19792 1812 1 4 . 1 1 51 51 ARG N N 51 124.058 124.058 123.765 0.293 19792 1813 1 4 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.458 -0.150 19792 1814 1 4 . 1 1 51 51 ARG C C 51 174.657 174.657 176.995 -2.338 19792 1815 1 4 . 1 1 51 51 ARG CA C 51 53.393 53.393 56.449 -3.056 19792 1816 1 4 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.835 -2.056 19792 1817 1 4 . 1 1 51 51 ARG H H 51 9.023 9.023 8.848 0.175 19792 1818 1 4 . 1 1 52 52 GLY N N 52 106.703 106.703 106.822 -0.119 19792 1819 1 4 . 1 1 52 52 GLY C C 52 168.863 168.863 173.350 -4.487 19792 1820 1 4 . 1 1 52 52 GLY CA C 52 42.919 42.919 45.151 -2.232 19792 1821 1 4 . 1 1 52 52 GLY H H 52 9.129 9.129 8.688 0.441 19792 1822 1 4 . 1 1 53 53 PHE N N 53 112.307 112.307 116.171 -3.864 19792 1823 1 4 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.441 -0.198 19792 1824 1 4 . 1 1 53 53 PHE C C 53 169.552 169.552 172.787 -3.235 19792 1825 1 4 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.246 -2.151 19792 1826 1 4 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.601 -2.687 19792 1827 1 4 . 1 1 53 53 PHE H H 53 6.845 6.845 7.528 -0.683 19792 1828 1 4 . 1 1 54 54 ALA N N 54 120.987 120.987 121.649 -0.662 19792 1829 1 4 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.415 0.479 19792 1830 1 4 . 1 1 54 54 ALA C C 54 171.062 171.062 174.243 -3.181 19792 1831 1 4 . 1 1 54 54 ALA CA C 54 47.049 47.049 50.658 -3.609 19792 1832 1 4 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.580 0.246 19792 1833 1 4 . 1 1 54 54 ALA H H 54 8.970 8.970 8.752 0.218 19792 1834 1 4 . 1 1 55 55 PHE N N 55 114.157 114.157 118.257 -4.100 19792 1835 1 4 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.870 0.898 19792 1836 1 4 . 1 1 55 55 PHE C C 55 173.605 173.605 173.289 0.316 19792 1837 1 4 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.339 -3.259 19792 1838 1 4 . 1 1 55 55 PHE CB C 55 40.029 40.029 43.558 -3.529 19792 1839 1 4 . 1 1 55 55 PHE H H 55 8.837 8.837 8.603 0.234 19792 1840 1 4 . 1 1 56 56 VAL N N 56 123.812 123.812 123.326 0.486 19792 1841 1 4 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.058 0.416 19792 1842 1 4 . 1 1 56 56 VAL C C 56 171.401 171.401 173.765 -2.364 19792 1843 1 4 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.438 -2.590 19792 1844 1 4 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.915 -3.388 19792 1845 1 4 . 1 1 56 56 VAL H H 56 8.558 8.558 7.799 0.759 19792 1846 1 4 . 1 1 57 57 THR N N 57 123.000 123.000 120.739 2.261 19792 1847 1 4 . 1 1 57 57 THR HA H 57 4.974 4.974 4.857 0.117 19792 1848 1 4 . 1 1 57 57 THR C C 57 171.340 171.340 173.667 -2.327 19792 1849 1 4 . 1 1 57 57 THR CA C 57 58.659 58.659 60.723 -2.064 19792 1850 1 4 . 1 1 57 57 THR CB C 57 66.662 66.662 69.332 -2.670 19792 1851 1 4 . 1 1 57 57 THR H H 57 8.808 8.808 8.378 0.430 19792 1852 1 4 . 1 1 58 58 PHE N N 58 128.385 128.385 125.945 2.440 19792 1853 1 4 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.780 -0.097 19792 1854 1 4 . 1 1 58 58 PHE C C 58 172.367 172.367 176.662 -4.295 19792 1855 1 4 . 1 1 58 58 PHE CA C 58 55.449 55.449 57.114 -1.665 19792 1856 1 4 . 1 1 58 58 PHE CB C 58 37.909 37.909 40.139 -2.230 19792 1857 1 4 . 1 1 58 58 PHE H H 58 8.835 8.835 9.187 -0.352 19792 1858 1 4 . 1 1 59 59 GLU N N 59 121.627 121.627 122.313 -0.686 19792 1859 1 4 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.048 -0.282 19792 1860 1 4 . 1 1 59 59 GLU C C 59 173.666 173.666 176.632 -2.966 19792 1861 1 4 . 1 1 59 59 GLU CA C 59 56.293 56.293 59.645 -3.352 19792 1862 1 4 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.562 -2.775 19792 1863 1 4 . 1 1 59 59 GLU H H 59 8.067 8.067 8.967 -0.900 19792 1864 1 4 . 1 1 60 60 SER N N 60 112.302 112.302 112.266 0.036 19792 1865 1 4 . 1 1 60 60 SER HA H 60 5.163 5.163 4.926 0.237 19792 1866 1 4 . 1 1 60 60 SER CA C 60 50.137 50.137 55.240 -5.103 19792 1867 1 4 . 1 1 60 60 SER CB C 60 61.350 61.350 64.481 -3.131 19792 1868 1 4 . 1 1 60 60 SER H H 60 9.333 9.333 7.679 1.654 19792 1869 1 4 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.648 -0.650 19792 1870 1 4 . 1 1 61 61 PRO CA C 61 61.850 61.850 64.871 -3.022 19792 1871 1 4 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.144 -2.753 19792 1872 1 4 . 1 1 62 62 ALA N N 62 121.088 121.088 121.754 -0.666 19792 1873 1 4 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.041 -0.109 19792 1874 1 4 . 1 1 62 62 ALA C C 62 176.826 176.826 179.043 -2.217 19792 1875 1 4 . 1 1 62 62 ALA CA C 62 52.266 52.266 55.036 -2.770 19792 1876 1 4 . 1 1 62 62 ALA CB C 62 15.618 15.618 17.875 -2.257 19792 1877 1 4 . 1 1 62 62 ALA H H 62 7.821 7.821 8.260 -0.439 19792 1878 1 4 . 1 1 63 63 ASP N N 63 120.099 120.099 119.796 0.303 19792 1879 1 4 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.296 -0.204 19792 1880 1 4 . 1 1 63 63 ASP C C 63 174.505 174.505 178.128 -3.623 19792 1881 1 4 . 1 1 63 63 ASP CA C 63 53.809 53.809 57.323 -3.514 19792 1882 1 4 . 1 1 63 63 ASP CB C 63 37.374 37.374 39.951 -2.577 19792 1883 1 4 . 1 1 63 63 ASP H H 63 6.960 6.960 8.558 -1.598 19792 1884 1 4 . 1 1 64 64 ALA N N 64 119.533 119.533 119.341 0.192 19792 1885 1 4 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.404 -0.263 19792 1886 1 4 . 1 1 64 64 ALA C C 64 176.037 176.037 179.055 -3.018 19792 1887 1 4 . 1 1 64 64 ALA CA C 64 51.399 51.399 53.931 -2.532 19792 1888 1 4 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.392 -2.826 19792 1889 1 4 . 1 1 64 64 ALA H H 64 6.771 6.771 7.529 -0.758 19792 1890 1 4 . 1 1 65 65 LYS N N 65 117.395 117.395 119.745 -2.350 19792 1891 1 4 . 1 1 65 65 LYS HA H 65 3.727 3.727 4.218 -0.491 19792 1892 1 4 . 1 1 65 65 LYS C C 65 176.716 176.716 178.571 -1.855 19792 1893 1 4 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.075 -2.391 19792 1894 1 4 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.518 -3.335 19792 1895 1 4 . 1 1 65 65 LYS H H 65 7.478 7.478 7.471 0.007 19792 1896 1 4 . 1 1 66 66 ASP N N 66 120.839 120.839 119.820 1.019 19792 1897 1 4 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.348 -0.165 19792 1898 1 4 . 1 1 66 66 ASP C C 66 175.111 175.111 178.121 -3.010 19792 1899 1 4 . 1 1 66 66 ASP CA C 66 54.430 54.430 57.582 -3.152 19792 1900 1 4 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.824 -3.104 19792 1901 1 4 . 1 1 66 66 ASP H H 66 7.403 7.403 8.079 -0.676 19792 1902 1 4 . 1 1 67 67 ALA N N 67 122.056 122.056 120.540 1.516 19792 1903 1 4 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.129 -0.969 19792 1904 1 4 . 1 1 67 67 ALA C C 67 176.448 176.448 179.111 -2.663 19792 1905 1 4 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.727 -3.428 19792 1906 1 4 . 1 1 67 67 ALA CB C 67 17.253 17.253 17.884 -0.631 19792 1907 1 4 . 1 1 67 67 ALA H H 67 7.737 7.737 8.161 -0.424 19792 1908 1 4 . 1 1 68 68 ALA N N 68 118.624 118.624 117.669 0.955 19792 1909 1 4 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.103 -0.404 19792 1910 1 4 . 1 1 68 68 ALA C C 68 176.619 176.619 178.127 -1.508 19792 1911 1 4 . 1 1 68 68 ALA CA C 68 52.280 52.280 53.851 -1.571 19792 1912 1 4 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.954 -4.105 19792 1913 1 4 . 1 1 68 68 ALA H H 68 8.108 8.108 7.288 0.820 19792 1914 1 4 . 1 1 69 69 ARG N N 69 116.265 116.265 115.811 0.454 19792 1915 1 4 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.394 -0.462 19792 1916 1 4 . 1 1 69 69 ARG C C 69 175.857 175.857 176.233 -0.376 19792 1917 1 4 . 1 1 69 69 ARG CA C 69 55.734 55.734 56.631 -0.897 19792 1918 1 4 . 1 1 69 69 ARG CB C 69 27.249 27.249 31.671 -4.421 19792 1919 1 4 . 1 1 69 69 ARG H H 69 7.599 7.599 7.472 0.127 19792 1920 1 4 . 1 1 70 70 ASP N N 70 116.202 116.202 120.517 -4.315 19792 1921 1 4 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.588 -0.033 19792 1922 1 4 . 1 1 70 70 ASP C C 70 174.867 174.867 176.470 -1.603 19792 1923 1 4 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.702 -2.388 19792 1924 1 4 . 1 1 70 70 ASP CB C 70 39.839 39.839 42.110 -2.271 19792 1925 1 4 . 1 1 70 70 ASP H H 70 7.657 7.657 8.411 -0.754 19792 1926 1 4 . 1 1 71 71 MET N N 71 111.561 111.561 118.179 -6.618 19792 1927 1 4 . 1 1 71 71 MET HA H 71 4.742 4.742 4.334 0.408 19792 1928 1 4 . 1 1 71 71 MET C C 71 175.174 175.174 175.772 -0.598 19792 1929 1 4 . 1 1 71 71 MET CA C 71 50.378 50.378 56.816 -6.438 19792 1930 1 4 . 1 1 71 71 MET CB C 71 29.047 29.047 33.328 -4.281 19792 1931 1 4 . 1 1 71 71 MET H H 71 8.069 8.069 7.619 0.450 19792 1932 1 4 . 1 1 72 72 ASN N N 72 116.196 116.196 117.285 -1.089 19792 1933 1 4 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.509 -0.228 19792 1934 1 4 . 1 1 72 72 ASN C C 72 173.812 173.812 175.815 -2.003 19792 1935 1 4 . 1 1 72 72 ASN CA C 72 53.826 53.826 55.124 -1.298 19792 1936 1 4 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.410 -2.525 19792 1937 1 4 . 1 1 72 72 ASN H H 72 7.442 7.442 7.996 -0.554 19792 1938 1 4 . 1 1 73 73 GLY N N 73 116.956 116.956 112.149 4.807 19792 1939 1 4 . 1 1 73 73 GLY C C 73 171.629 171.629 174.216 -2.587 19792 1940 1 4 . 1 1 73 73 GLY CA C 73 43.091 43.091 44.833 -1.742 19792 1941 1 4 . 1 1 73 73 GLY H H 73 8.884 8.884 8.416 0.468 19792 1942 1 4 . 1 1 74 74 LYS N N 74 120.829 120.829 121.480 -0.651 19792 1943 1 4 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.525 -0.285 19792 1944 1 4 . 1 1 74 74 LYS C C 74 172.132 172.132 176.395 -4.263 19792 1945 1 4 . 1 1 74 74 LYS CA C 74 52.333 52.333 55.695 -3.362 19792 1946 1 4 . 1 1 74 74 LYS CB C 74 30.131 30.131 33.636 -3.505 19792 1947 1 4 . 1 1 74 74 LYS H H 74 7.797 7.797 7.590 0.207 19792 1948 1 4 . 1 1 75 75 SER N N 75 112.883 112.883 116.054 -3.171 19792 1949 1 4 . 1 1 75 75 SER HA H 75 4.940 4.940 4.652 0.288 19792 1950 1 4 . 1 1 75 75 SER C C 75 171.838 171.838 174.466 -2.628 19792 1951 1 4 . 1 1 75 75 SER CA C 75 54.722 54.722 58.195 -3.473 19792 1952 1 4 . 1 1 75 75 SER CB C 75 61.242 61.242 64.287 -3.045 19792 1953 1 4 . 1 1 75 75 SER H H 75 8.037 8.037 8.365 -0.328 19792 1954 1 4 . 1 1 76 76 LEU N N 76 127.669 127.669 124.851 2.818 19792 1955 1 4 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.625 -0.190 19792 1956 1 4 . 1 1 76 76 LEU C C 76 173.849 173.849 175.909 -2.060 19792 1957 1 4 . 1 1 76 76 LEU CA C 76 51.775 51.775 54.638 -2.863 19792 1958 1 4 . 1 1 76 76 LEU CB C 76 41.886 41.886 43.368 -1.482 19792 1959 1 4 . 1 1 76 76 LEU H H 76 8.988 8.988 8.796 0.192 19792 1960 1 4 . 1 1 77 77 ASP N N 77 129.054 129.054 126.337 2.717 19792 1961 1 4 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.261 -0.087 19792 1962 1 4 . 1 1 77 77 ASP C C 77 173.415 173.415 176.507 -3.092 19792 1963 1 4 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.689 -2.813 19792 1964 1 4 . 1 1 77 77 ASP CB C 77 36.413 36.413 40.682 -4.269 19792 1965 1 4 . 1 1 77 77 ASP H H 77 9.523 9.523 9.517 0.006 19792 1966 1 4 . 1 1 78 78 GLY N N 78 101.915 101.915 103.399 -1.484 19792 1967 1 4 . 1 1 78 78 GLY C C 78 170.989 170.989 174.007 -3.018 19792 1968 1 4 . 1 1 78 78 GLY CA C 78 42.769 42.769 44.848 -2.079 19792 1969 1 4 . 1 1 78 78 GLY H H 78 8.396 8.396 7.851 0.545 19792 1970 1 4 . 1 1 79 79 LYS N N 79 119.791 119.791 122.341 -2.550 19792 1971 1 4 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.602 -0.056 19792 1972 1 4 . 1 1 79 79 LYS C C 79 171.513 171.513 175.368 -3.855 19792 1973 1 4 . 1 1 79 79 LYS CA C 79 50.277 50.277 53.924 -3.647 19792 1974 1 4 . 1 1 79 79 LYS CB C 79 31.955 31.955 32.852 -0.897 19792 1975 1 4 . 1 1 79 79 LYS H H 79 7.269 7.269 8.027 -0.758 19792 1976 1 4 . 1 1 80 80 ALA N N 80 125.002 125.002 128.585 -3.583 19792 1977 1 4 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.513 -0.148 19792 1978 1 4 . 1 1 80 80 ALA C C 80 175.007 175.007 176.927 -1.920 19792 1979 1 4 . 1 1 80 80 ALA CA C 80 48.381 48.381 51.823 -3.442 19792 1980 1 4 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.293 -3.078 19792 1981 1 4 . 1 1 80 80 ALA H H 80 8.235 8.235 8.817 -0.582 19792 1982 1 4 . 1 1 81 81 ILE N N 81 119.947 119.947 119.970 -0.023 19792 1983 1 4 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.628 -0.014 19792 1984 1 4 . 1 1 81 81 ILE C C 81 172.389 172.389 175.441 -3.052 19792 1985 1 4 . 1 1 81 81 ILE CA C 81 57.921 57.921 60.855 -2.934 19792 1986 1 4 . 1 1 81 81 ILE CB C 81 37.547 37.547 39.745 -2.198 19792 1987 1 4 . 1 1 81 81 ILE H H 81 8.204 8.204 7.782 0.422 19792 1988 1 4 . 1 1 82 82 LYS N N 82 123.700 123.700 119.318 4.382 19792 1989 1 4 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.675 0.171 19792 1990 1 4 . 1 1 82 82 LYS C C 82 172.571 172.571 175.091 -2.520 19792 1991 1 4 . 1 1 82 82 LYS CA C 82 51.341 51.341 54.047 -2.706 19792 1992 1 4 . 1 1 82 82 LYS CB C 82 31.948 31.948 36.787 -4.839 19792 1993 1 4 . 1 1 82 82 LYS H H 82 8.460 8.460 8.321 0.139 19792 1994 1 4 . 1 1 83 83 VAL N N 83 123.707 123.707 123.393 0.314 19792 1995 1 4 . 1 1 83 83 VAL HA H 83 5.068 5.068 5.158 -0.090 19792 1996 1 4 . 1 1 83 83 VAL C C 83 171.831 171.831 175.229 -3.398 19792 1997 1 4 . 1 1 83 83 VAL CA C 83 57.954 57.954 60.666 -2.712 19792 1998 1 4 . 1 1 83 83 VAL CB C 83 31.979 31.979 33.550 -1.571 19792 1999 1 4 . 1 1 83 83 VAL H H 83 8.653 8.653 8.487 0.166 19792 2000 1 4 . 1 1 84 84 GLU N N 84 123.150 123.150 125.090 -1.940 19792 2001 1 4 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.808 -0.124 19792 2002 1 4 . 1 1 84 84 GLU C C 84 172.141 172.141 174.540 -2.399 19792 2003 1 4 . 1 1 84 84 GLU CA C 84 51.305 51.305 54.061 -2.756 19792 2004 1 4 . 1 1 84 84 GLU CB C 84 31.690 31.690 33.678 -1.988 19792 2005 1 4 . 1 1 84 84 GLU H H 84 8.977 8.977 9.387 -0.410 19792 2006 1 4 . 1 1 85 85 GLN N N 85 121.740 121.740 118.091 3.649 19792 2007 1 4 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.620 -0.371 19792 2008 1 4 . 1 1 85 85 GLN C C 85 173.263 173.263 175.374 -2.111 19792 2009 1 4 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.626 -0.369 19792 2010 1 4 . 1 1 85 85 GLN CB C 85 26.519 26.519 31.151 -4.632 19792 2011 1 4 . 1 1 85 85 GLN H H 85 8.835 8.835 8.571 0.264 19792 2012 1 4 . 1 1 86 86 ALA N N 86 127.885 127.885 127.863 0.022 19792 2013 1 4 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.580 -0.146 19792 2014 1 4 . 1 1 86 86 ALA C C 86 174.487 174.487 176.881 -2.394 19792 2015 1 4 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.170 -2.154 19792 2016 1 4 . 1 1 86 86 ALA CB C 86 16.340 16.340 18.272 -1.932 19792 2017 1 4 . 1 1 86 86 ALA H H 86 8.608 8.608 8.523 0.085 19792 2018 1 4 . 1 1 87 87 THR N N 87 113.372 113.372 116.442 -3.070 19792 2019 1 4 . 1 1 87 87 THR HA H 87 4.339 4.339 4.787 -0.448 19792 2020 1 4 . 1 1 87 87 THR C C 87 171.331 171.331 172.834 -1.503 19792 2021 1 4 . 1 1 87 87 THR CA C 87 58.219 58.219 61.293 -3.074 19792 2022 1 4 . 1 1 87 87 THR CB C 87 67.397 67.397 70.378 -2.981 19792 2023 1 4 . 1 1 87 87 THR H H 87 8.271 8.271 7.885 0.386 19792 2024 1 4 . 1 1 88 88 LYS N N 88 123.502 123.502 120.226 3.276 19792 2025 1 4 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.720 -0.247 19792 2026 1 4 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.995 -2.384 19792 2027 1 4 . 1 1 88 88 LYS CB C 88 29.867 29.867 33.568 -3.701 19792 2028 1 4 . 1 1 88 88 LYS H H 88 8.203 8.203 8.243 -0.040 19792 2029 1 4 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.471 -0.277 19792 2030 1 4 . 1 1 89 89 PRO C C 89 173.726 173.726 177.534 -3.808 19792 2031 1 4 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.855 -3.785 19792 2032 1 4 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.095 -2.780 19792 2033 1 4 . 1 1 90 90 SER N N 90 115.260 115.260 116.407 -1.147 19792 2034 1 4 . 1 1 90 90 SER HA H 90 4.229 4.229 4.465 -0.236 19792 2035 1 4 . 1 1 90 90 SER C C 90 171.123 171.123 172.951 -1.828 19792 2036 1 4 . 1 1 90 90 SER CA C 90 55.017 55.017 58.270 -3.253 19792 2037 1 4 . 1 1 90 90 SER CB C 90 60.977 60.977 61.658 -0.681 19792 2038 1 4 . 1 1 90 90 SER H H 90 7.991 7.991 8.347 -0.356 19792 2039 1 4 . 1 1 91 91 PHE N N 91 121.128 121.128 122.622 -1.494 19792 2040 1 4 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.582 -0.055 19792 2041 1 4 . 1 1 91 91 PHE C C 91 171.798 171.798 175.292 -3.494 19792 2042 1 4 . 1 1 91 91 PHE CA C 91 54.467 54.467 57.422 -2.954 19792 2043 1 4 . 1 1 91 91 PHE CB C 91 37.008 37.008 40.416 -3.408 19792 2044 1 4 . 1 1 91 91 PHE H H 91 8.004 8.004 7.897 0.107 19792 2045 1 5 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.760 -0.164 19792 2046 1 5 . 1 1 2 2 HIS C C 2 171.930 171.930 174.367 -2.437 19792 2047 1 5 . 1 1 2 2 HIS CA C 2 52.879 52.879 56.158 -3.279 19792 2048 1 5 . 1 1 2 2 HIS CB C 2 27.693 27.693 30.211 -2.518 19792 2049 1 5 . 1 1 3 3 MET N N 3 122.778 122.778 121.769 1.009 19792 2050 1 5 . 1 1 3 3 MET HA H 3 4.365 4.365 4.719 -0.354 19792 2051 1 5 . 1 1 3 3 MET C C 3 173.051 173.051 176.354 -3.303 19792 2052 1 5 . 1 1 3 3 MET CA C 3 52.457 52.457 54.958 -2.501 19792 2053 1 5 . 1 1 3 3 MET CB C 3 30.267 30.267 34.444 -4.178 19792 2054 1 5 . 1 1 3 3 MET H H 3 8.407 8.407 7.940 0.467 19792 2055 1 5 . 1 1 4 4 VAL N N 4 121.985 121.985 122.478 -0.493 19792 2056 1 5 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.174 -0.182 19792 2057 1 5 . 1 1 4 4 VAL C C 4 173.161 173.161 176.372 -3.211 19792 2058 1 5 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.535 -3.346 19792 2059 1 5 . 1 1 4 4 VAL CB C 4 30.313 30.313 31.996 -1.683 19792 2060 1 5 . 1 1 4 4 VAL H H 4 8.170 8.170 8.424 -0.254 19792 2061 1 5 . 1 1 5 5 GLU N N 5 124.990 124.990 122.429 2.561 19792 2062 1 5 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.330 -0.168 19792 2063 1 5 . 1 1 5 5 GLU C C 5 173.208 173.208 175.048 -1.840 19792 2064 1 5 . 1 1 5 5 GLU CA C 5 53.271 53.271 56.150 -2.878 19792 2065 1 5 . 1 1 5 5 GLU CB C 5 27.861 27.861 27.779 0.082 19792 2066 1 5 . 1 1 5 5 GLU H H 5 8.469 8.469 8.127 0.342 19792 2067 1 5 . 1 1 6 6 ALA N N 6 124.750 124.750 125.054 -0.304 19792 2068 1 5 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.274 -0.139 19792 2069 1 5 . 1 1 6 6 ALA C C 6 174.516 174.516 174.918 -0.402 19792 2070 1 5 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.616 -2.045 19792 2071 1 5 . 1 1 6 6 ALA CB C 6 16.604 16.604 20.767 -4.162 19792 2072 1 5 . 1 1 6 6 ALA H H 6 8.229 8.229 7.762 0.467 19792 2073 1 5 . 1 1 7 7 ASP N N 7 119.477 119.477 119.695 -0.218 19792 2074 1 5 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.919 -0.489 19792 2075 1 5 . 1 1 7 7 ASP C C 7 173.005 173.005 174.345 -1.340 19792 2076 1 5 . 1 1 7 7 ASP CA C 7 51.032 51.032 52.872 -1.840 19792 2077 1 5 . 1 1 7 7 ASP CB C 7 38.658 38.658 42.826 -4.168 19792 2078 1 5 . 1 1 7 7 ASP H H 7 8.172 8.172 8.152 0.020 19792 2079 1 5 . 1 1 8 8 ARG N N 8 121.454 121.454 118.036 3.418 19792 2080 1 5 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.772 -0.669 19792 2081 1 5 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.145 0.563 19792 2082 1 5 . 1 1 8 8 ARG CB C 8 27.813 27.813 31.123 -3.311 19792 2083 1 5 . 1 1 8 8 ARG H H 8 8.168 8.168 8.272 -0.104 19792 2084 1 5 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.474 -0.061 19792 2085 1 5 . 1 1 9 9 PRO C C 9 174.662 174.662 177.116 -2.454 19792 2086 1 5 . 1 1 9 9 PRO CA C 9 60.806 60.806 63.029 -2.224 19792 2087 1 5 . 1 1 9 9 PRO CB C 9 29.471 29.471 29.873 -0.402 19792 2088 1 5 . 1 1 10 10 GLY N N 10 108.287 108.287 110.012 -1.725 19792 2089 1 5 . 1 1 10 10 GLY C C 10 169.715 169.715 174.530 -4.815 19792 2090 1 5 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.571 -3.042 19792 2091 1 5 . 1 1 10 10 GLY H H 10 8.769 8.769 8.300 0.469 19792 2092 1 5 . 1 1 11 11 LYS N N 11 122.177 122.177 119.256 2.921 19792 2093 1 5 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.439 0.425 19792 2094 1 5 . 1 1 11 11 LYS C C 11 172.419 172.419 176.353 -3.934 19792 2095 1 5 . 1 1 11 11 LYS CA C 11 53.417 53.417 57.094 -3.678 19792 2096 1 5 . 1 1 11 11 LYS CB C 11 32.058 32.058 33.321 -1.263 19792 2097 1 5 . 1 1 11 11 LYS H H 11 7.753 7.753 7.866 -0.113 19792 2098 1 5 . 1 1 12 12 LEU N N 12 127.116 127.116 121.408 5.708 19792 2099 1 5 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.643 0.296 19792 2100 1 5 . 1 1 12 12 LEU C C 12 173.185 173.185 175.741 -2.556 19792 2101 1 5 . 1 1 12 12 LEU CA C 12 50.301 50.301 52.592 -2.291 19792 2102 1 5 . 1 1 12 12 LEU CB C 12 42.075 42.075 45.930 -3.855 19792 2103 1 5 . 1 1 12 12 LEU H H 12 9.465 9.465 7.961 1.504 19792 2104 1 5 . 1 1 13 13 PHE N N 13 122.922 122.922 120.054 2.868 19792 2105 1 5 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.899 -0.187 19792 2106 1 5 . 1 1 13 13 PHE C C 13 170.330 170.330 173.393 -3.063 19792 2107 1 5 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.204 -3.163 19792 2108 1 5 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.031 -4.511 19792 2109 1 5 . 1 1 13 13 PHE H H 13 9.213 9.213 8.112 1.101 19792 2110 1 5 . 1 1 14 14 ILE N N 14 128.128 128.128 124.525 3.603 19792 2111 1 5 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.400 -0.585 19792 2112 1 5 . 1 1 14 14 ILE C C 14 171.441 171.441 175.101 -3.660 19792 2113 1 5 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.374 -3.963 19792 2114 1 5 . 1 1 14 14 ILE CB C 14 36.448 36.448 42.200 -5.752 19792 2115 1 5 . 1 1 14 14 ILE H H 14 8.304 8.304 7.714 0.590 19792 2116 1 5 . 1 1 15 15 GLY N N 15 110.945 110.945 109.262 1.683 19792 2117 1 5 . 1 1 15 15 GLY C C 15 170.863 170.863 173.944 -3.081 19792 2118 1 5 . 1 1 15 15 GLY CA C 15 40.913 40.913 44.935 -4.022 19792 2119 1 5 . 1 1 15 15 GLY H H 15 8.965 8.965 8.699 0.266 19792 2120 1 5 . 1 1 16 16 GLY N N 16 107.025 107.025 107.096 -0.071 19792 2121 1 5 . 1 1 16 16 GLY C C 16 172.134 172.134 174.725 -2.591 19792 2122 1 5 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.520 -2.659 19792 2123 1 5 . 1 1 16 16 GLY H H 16 7.865 7.865 8.157 -0.292 19792 2124 1 5 . 1 1 17 17 LEU N N 17 115.104 115.104 119.301 -4.197 19792 2125 1 5 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.130 -0.218 19792 2126 1 5 . 1 1 17 17 LEU C C 17 176.024 176.024 177.294 -1.270 19792 2127 1 5 . 1 1 17 17 LEU CA C 17 51.583 51.583 55.351 -3.768 19792 2128 1 5 . 1 1 17 17 LEU CB C 17 40.169 40.169 41.952 -1.783 19792 2129 1 5 . 1 1 17 17 LEU H H 17 7.521 7.521 7.554 -0.033 19792 2130 1 5 . 1 1 18 18 ASN N N 18 120.666 120.666 118.957 1.709 19792 2131 1 5 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.717 -0.331 19792 2132 1 5 . 1 1 18 18 ASN C C 18 176.199 176.199 175.115 1.084 19792 2133 1 5 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.522 -3.220 19792 2134 1 5 . 1 1 18 18 ASN CB C 18 35.692 35.692 39.888 -4.196 19792 2135 1 5 . 1 1 18 18 ASN H H 18 9.528 9.528 8.749 0.779 19792 2136 1 5 . 1 1 19 19 THR N N 19 123.230 123.230 109.542 13.688 19792 2137 1 5 . 1 1 19 19 THR HA H 19 3.699 3.699 4.518 -0.819 19792 2138 1 5 . 1 1 19 19 THR C C 19 172.195 172.195 174.298 -2.103 19792 2139 1 5 . 1 1 19 19 THR CA C 19 62.512 62.512 62.131 0.381 19792 2140 1 5 . 1 1 19 19 THR CB C 19 65.438 65.438 69.365 -3.927 19792 2141 1 5 . 1 1 19 19 THR H H 19 8.809 8.809 8.293 0.516 19792 2142 1 5 . 1 1 20 20 GLU N N 20 118.055 118.055 120.661 -2.606 19792 2143 1 5 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.582 -0.406 19792 2144 1 5 . 1 1 20 20 GLU C C 20 174.826 174.826 175.679 -0.853 19792 2145 1 5 . 1 1 20 20 GLU CA C 20 53.181 53.181 56.204 -3.023 19792 2146 1 5 . 1 1 20 20 GLU CB C 20 27.076 27.076 29.970 -2.894 19792 2147 1 5 . 1 1 20 20 GLU H H 20 8.703 8.703 8.591 0.112 19792 2148 1 5 . 1 1 21 21 THR N N 21 119.209 119.209 116.608 2.601 19792 2149 1 5 . 1 1 21 21 THR HA H 21 3.930 3.930 4.269 -0.339 19792 2150 1 5 . 1 1 21 21 THR C C 21 171.688 171.688 173.943 -2.255 19792 2151 1 5 . 1 1 21 21 THR CA C 21 61.882 61.882 63.696 -1.814 19792 2152 1 5 . 1 1 21 21 THR CB C 21 65.397 65.397 69.597 -4.200 19792 2153 1 5 . 1 1 21 21 THR H H 21 7.514 7.514 8.149 -0.635 19792 2154 1 5 . 1 1 22 22 ASN N N 22 126.624 126.624 119.458 7.166 19792 2155 1 5 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.888 -0.119 19792 2156 1 5 . 1 1 22 22 ASN C C 22 172.032 172.032 175.781 -3.749 19792 2157 1 5 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.259 -4.553 19792 2158 1 5 . 1 1 22 22 ASN CB C 22 37.373 37.373 41.280 -3.907 19792 2159 1 5 . 1 1 22 22 ASN H H 22 8.031 8.031 8.253 -0.222 19792 2160 1 5 . 1 1 23 23 GLU N N 23 118.056 118.056 121.715 -3.659 19792 2161 1 5 . 1 1 23 23 GLU HA H 23 3.567 3.567 4.024 -0.457 19792 2162 1 5 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.174 -1.390 19792 2163 1 5 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.339 -3.477 19792 2164 1 5 . 1 1 23 23 GLU H H 23 10.151 10.151 8.850 1.301 19792 2165 1 5 . 1 1 24 24 LYS N N 24 118.897 118.897 117.593 1.304 19792 2166 1 5 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.284 -0.279 19792 2167 1 5 . 1 1 24 24 LYS C C 24 176.843 176.843 178.383 -1.540 19792 2168 1 5 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.890 -3.159 19792 2169 1 5 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.882 -2.511 19792 2170 1 5 . 1 1 24 24 LYS H H 24 7.839 7.839 8.315 -0.476 19792 2171 1 5 . 1 1 25 25 ALA N N 25 123.210 123.210 123.038 0.172 19792 2172 1 5 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.144 0.025 19792 2173 1 5 . 1 1 25 25 ALA C C 25 178.048 178.048 179.938 -1.890 19792 2174 1 5 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.619 -2.751 19792 2175 1 5 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.270 -2.131 19792 2176 1 5 . 1 1 25 25 ALA H H 25 7.827 7.827 7.587 0.240 19792 2177 1 5 . 1 1 26 26 LEU N N 26 116.466 116.466 118.702 -2.236 19792 2178 1 5 . 1 1 26 26 LEU HA H 26 4.024 4.024 3.948 0.076 19792 2179 1 5 . 1 1 26 26 LEU C C 26 176.375 176.375 179.143 -2.768 19792 2180 1 5 . 1 1 26 26 LEU CA C 26 54.958 54.958 58.141 -3.183 19792 2181 1 5 . 1 1 26 26 LEU CB C 26 39.701 39.701 40.895 -1.194 19792 2182 1 5 . 1 1 26 26 LEU H H 26 7.652 7.652 8.104 -0.452 19792 2183 1 5 . 1 1 27 27 GLU N N 27 119.789 119.789 119.028 0.761 19792 2184 1 5 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.979 -0.388 19792 2185 1 5 . 1 1 27 27 GLU C C 27 176.206 176.206 178.834 -2.628 19792 2186 1 5 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.734 -2.662 19792 2187 1 5 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.233 -2.166 19792 2188 1 5 . 1 1 27 27 GLU H H 27 8.480 8.480 7.990 0.490 19792 2189 1 5 . 1 1 28 28 ALA N N 28 120.599 120.599 120.938 -0.339 19792 2190 1 5 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.087 -0.048 19792 2191 1 5 . 1 1 28 28 ALA C C 28 177.506 177.506 179.521 -2.015 19792 2192 1 5 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.776 -2.869 19792 2193 1 5 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.256 -2.849 19792 2194 1 5 . 1 1 28 28 ALA H H 28 7.837 7.837 7.530 0.307 19792 2195 1 5 . 1 1 29 29 VAL N N 29 115.536 115.536 118.998 -3.462 19792 2196 1 5 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.597 0.229 19792 2197 1 5 . 1 1 29 29 VAL C C 29 174.998 174.998 177.757 -2.759 19792 2198 1 5 . 1 1 29 29 VAL CA C 29 61.999 61.999 66.382 -4.383 19792 2199 1 5 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.799 -1.921 19792 2200 1 5 . 1 1 29 29 VAL H H 29 7.626 7.626 7.434 0.192 19792 2201 1 5 . 1 1 30 30 PHE N N 30 115.465 115.465 116.072 -0.607 19792 2202 1 5 . 1 1 30 30 PHE HA H 30 4.482 4.482 4.909 -0.427 19792 2203 1 5 . 1 1 30 30 PHE C C 30 174.725 174.725 177.494 -2.769 19792 2204 1 5 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.646 0.982 19792 2205 1 5 . 1 1 30 30 PHE CB C 30 35.394 35.394 39.660 -4.266 19792 2206 1 5 . 1 1 30 30 PHE H H 30 8.514 8.514 7.908 0.606 19792 2207 1 5 . 1 1 31 31 GLY N N 31 108.299 108.299 108.500 -0.201 19792 2208 1 5 . 1 1 31 31 GLY C C 31 172.455 172.455 174.661 -2.206 19792 2209 1 5 . 1 1 31 31 GLY CA C 31 43.505 43.505 46.285 -2.780 19792 2210 1 5 . 1 1 31 31 GLY H H 31 8.294 8.294 8.569 -0.275 19792 2211 1 5 . 1 1 32 32 LYS N N 32 117.309 117.309 117.850 -0.541 19792 2212 1 5 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.146 -0.220 19792 2213 1 5 . 1 1 32 32 LYS C C 32 174.779 174.779 176.494 -1.715 19792 2214 1 5 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.532 -2.832 19792 2215 1 5 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.602 -2.667 19792 2216 1 5 . 1 1 32 32 LYS H H 32 6.846 6.846 7.913 -1.067 19792 2217 1 5 . 1 1 33 33 TYR N N 33 115.635 115.635 118.726 -3.091 19792 2218 1 5 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.531 -0.414 19792 2219 1 5 . 1 1 33 33 TYR C C 33 171.935 171.935 175.988 -4.053 19792 2220 1 5 . 1 1 33 33 TYR CA C 33 56.609 56.609 58.655 -2.046 19792 2221 1 5 . 1 1 33 33 TYR CB C 33 35.735 35.735 39.715 -3.980 19792 2222 1 5 . 1 1 33 33 TYR H H 33 7.593 7.593 7.852 -0.259 19792 2223 1 5 . 1 1 34 34 GLY N N 34 104.503 104.503 107.624 -3.121 19792 2224 1 5 . 1 1 34 34 GLY C C 34 168.962 168.962 173.531 -4.569 19792 2225 1 5 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.604 -4.041 19792 2226 1 5 . 1 1 34 34 GLY H H 34 7.253 7.253 7.924 -0.671 19792 2227 1 5 . 1 1 35 35 ARG N N 35 116.679 116.679 122.205 -5.526 19792 2228 1 5 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.769 -0.654 19792 2229 1 5 . 1 1 35 35 ARG C C 35 174.272 174.272 175.296 -1.024 19792 2230 1 5 . 1 1 35 35 ARG CA C 35 54.785 54.785 54.672 0.113 19792 2231 1 5 . 1 1 35 35 ARG CB C 35 27.958 27.958 31.049 -3.091 19792 2232 1 5 . 1 1 35 35 ARG H H 35 8.196 8.196 9.093 -0.897 19792 2233 1 5 . 1 1 36 36 ILE N N 36 128.885 128.885 124.770 4.115 19792 2234 1 5 . 1 1 36 36 ILE HA H 36 3.827 3.827 3.920 -0.093 19792 2235 1 5 . 1 1 36 36 ILE C C 36 173.725 173.725 176.118 -2.393 19792 2236 1 5 . 1 1 36 36 ILE CA C 36 57.740 57.740 63.229 -5.489 19792 2237 1 5 . 1 1 36 36 ILE CB C 36 37.006 37.006 38.561 -1.555 19792 2238 1 5 . 1 1 36 36 ILE H H 36 8.760 8.760 8.682 0.078 19792 2239 1 5 . 1 1 37 37 VAL N N 37 122.612 122.612 122.598 0.014 19792 2240 1 5 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.283 -0.200 19792 2241 1 5 . 1 1 37 37 VAL C C 37 172.917 172.917 174.714 -1.797 19792 2242 1 5 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.476 -2.130 19792 2243 1 5 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.041 -2.666 19792 2244 1 5 . 1 1 37 37 VAL H H 37 8.751 8.751 8.210 0.541 19792 2245 1 5 . 1 1 38 38 GLU N N 38 118.683 118.683 119.654 -0.971 19792 2246 1 5 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.510 -0.142 19792 2247 1 5 . 1 1 38 38 GLU C C 38 170.647 170.647 174.063 -3.416 19792 2248 1 5 . 1 1 38 38 GLU CA C 38 53.636 53.636 56.103 -2.467 19792 2249 1 5 . 1 1 38 38 GLU CB C 38 31.112 31.112 33.845 -2.733 19792 2250 1 5 . 1 1 38 38 GLU H H 38 7.075 7.075 7.631 -0.556 19792 2251 1 5 . 1 1 39 39 VAL N N 39 125.880 125.880 124.114 1.766 19792 2252 1 5 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.094 0.225 19792 2253 1 5 . 1 1 39 39 VAL C C 39 170.693 170.693 174.152 -3.459 19792 2254 1 5 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.468 -2.412 19792 2255 1 5 . 1 1 39 39 VAL CB C 39 31.077 31.077 32.791 -1.714 19792 2256 1 5 . 1 1 39 39 VAL H H 39 8.509 8.509 8.511 -0.002 19792 2257 1 5 . 1 1 40 40 LEU N N 40 129.331 129.331 129.408 -0.077 19792 2258 1 5 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.648 0.027 19792 2259 1 5 . 1 1 40 40 LEU C C 40 171.627 171.627 174.579 -2.952 19792 2260 1 5 . 1 1 40 40 LEU CA C 40 50.744 50.744 53.130 -2.386 19792 2261 1 5 . 1 1 40 40 LEU CB C 40 42.066 42.066 42.431 -0.365 19792 2262 1 5 . 1 1 40 40 LEU H H 40 8.928 8.928 7.975 0.953 19792 2263 1 5 . 1 1 41 41 LEU N N 41 128.574 128.574 127.641 0.933 19792 2264 1 5 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.434 -0.094 19792 2265 1 5 . 1 1 41 41 LEU C C 41 172.935 172.935 175.559 -2.624 19792 2266 1 5 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.374 -3.498 19792 2267 1 5 . 1 1 41 41 LEU CB C 41 41.547 41.547 43.427 -1.880 19792 2268 1 5 . 1 1 41 41 LEU H H 41 9.023 9.023 8.461 0.562 19792 2269 1 5 . 1 1 42 42 MET N N 42 125.617 125.617 126.331 -0.714 19792 2270 1 5 . 1 1 42 42 MET HA H 42 4.357 4.357 4.525 -0.168 19792 2271 1 5 . 1 1 42 42 MET C C 42 172.606 172.606 175.378 -2.772 19792 2272 1 5 . 1 1 42 42 MET CA C 42 51.857 51.857 53.588 -1.731 19792 2273 1 5 . 1 1 42 42 MET CB C 42 27.700 27.700 31.887 -4.188 19792 2274 1 5 . 1 1 42 42 MET H H 42 7.988 7.988 8.361 -0.373 19792 2275 1 5 . 1 1 43 43 LYS N N 43 121.956 121.956 123.353 -1.397 19792 2276 1 5 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.731 0.028 19792 2277 1 5 . 1 1 43 43 LYS C C 43 173.591 173.591 175.350 -1.759 19792 2278 1 5 . 1 1 43 43 LYS CA C 43 51.608 51.608 54.962 -3.354 19792 2279 1 5 . 1 1 43 43 LYS CB C 43 33.447 33.447 35.743 -2.296 19792 2280 1 5 . 1 1 43 43 LYS H H 43 8.289 8.289 8.290 -0.001 19792 2281 1 5 . 1 1 44 44 ASP N N 44 123.608 123.608 122.116 1.492 19792 2282 1 5 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.680 -0.209 19792 2283 1 5 . 1 1 44 44 ASP C C 44 174.790 174.790 176.031 -1.241 19792 2284 1 5 . 1 1 44 44 ASP CA C 44 51.279 51.279 54.591 -3.312 19792 2285 1 5 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.370 -2.193 19792 2286 1 5 . 1 1 44 44 ASP H H 44 8.693 8.693 8.955 -0.262 19792 2287 1 5 . 1 1 45 45 ARG N N 45 126.884 126.884 119.377 7.507 19792 2288 1 5 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.449 -0.473 19792 2289 1 5 . 1 1 45 45 ARG C C 45 174.578 174.578 177.293 -2.715 19792 2290 1 5 . 1 1 45 45 ARG CA C 45 55.637 55.637 56.251 -0.613 19792 2291 1 5 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.882 -3.338 19792 2292 1 5 . 1 1 45 45 ARG H H 45 8.875 8.875 8.635 0.240 19792 2293 1 5 . 1 1 46 46 GLU N N 46 117.313 117.313 120.609 -3.296 19792 2294 1 5 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.169 0.013 19792 2295 1 5 . 1 1 46 46 GLU C C 46 175.625 175.625 176.955 -1.330 19792 2296 1 5 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.845 -3.217 19792 2297 1 5 . 1 1 46 46 GLU CB C 46 27.597 27.597 30.150 -2.553 19792 2298 1 5 . 1 1 46 46 GLU H H 46 8.561 8.561 8.377 0.184 19792 2299 1 5 . 1 1 47 47 THR N N 47 107.019 107.019 110.545 -3.526 19792 2300 1 5 . 1 1 47 47 THR HA H 47 4.277 4.277 4.390 -0.113 19792 2301 1 5 . 1 1 47 47 THR C C 47 173.242 173.242 173.487 -0.245 19792 2302 1 5 . 1 1 47 47 THR CA C 47 58.709 58.709 61.994 -3.285 19792 2303 1 5 . 1 1 47 47 THR CB C 47 67.971 67.971 68.500 -0.529 19792 2304 1 5 . 1 1 47 47 THR H H 47 8.053 8.053 8.066 -0.013 19792 2305 1 5 . 1 1 48 48 ASN N N 48 117.468 117.468 117.341 0.127 19792 2306 1 5 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.291 0.044 19792 2307 1 5 . 1 1 48 48 ASN C C 48 171.106 171.106 174.404 -3.298 19792 2308 1 5 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.722 -2.592 19792 2309 1 5 . 1 1 48 48 ASN CB C 48 35.645 35.645 37.997 -2.352 19792 2310 1 5 . 1 1 48 48 ASN H H 48 8.230 8.230 8.418 -0.188 19792 2311 1 5 . 1 1 49 49 LYS N N 49 117.523 117.523 116.750 0.773 19792 2312 1 5 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.105 0.191 19792 2313 1 5 . 1 1 49 49 LYS C C 49 173.910 173.910 176.896 -2.986 19792 2314 1 5 . 1 1 49 49 LYS CA C 49 52.763 52.763 56.803 -4.040 19792 2315 1 5 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.279 -2.240 19792 2316 1 5 . 1 1 49 49 LYS H H 49 7.517 7.517 7.762 -0.245 19792 2317 1 5 . 1 1 50 50 SER N N 50 115.960 115.960 115.773 0.187 19792 2318 1 5 . 1 1 50 50 SER HA H 50 4.197 4.197 4.428 -0.231 19792 2319 1 5 . 1 1 50 50 SER C C 50 173.417 173.417 175.483 -2.066 19792 2320 1 5 . 1 1 50 50 SER CA C 50 55.614 55.614 58.247 -2.633 19792 2321 1 5 . 1 1 50 50 SER CB C 50 61.524 61.524 63.677 -2.153 19792 2322 1 5 . 1 1 50 50 SER H H 50 8.705 8.705 8.695 0.010 19792 2323 1 5 . 1 1 51 51 ARG N N 51 124.058 124.058 122.848 1.210 19792 2324 1 5 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.453 -0.145 19792 2325 1 5 . 1 1 51 51 ARG C C 51 174.657 174.657 176.906 -2.249 19792 2326 1 5 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.515 -2.122 19792 2327 1 5 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.429 -1.650 19792 2328 1 5 . 1 1 51 51 ARG H H 51 9.023 9.023 8.158 0.865 19792 2329 1 5 . 1 1 52 52 GLY N N 52 106.703 106.703 107.591 -0.888 19792 2330 1 5 . 1 1 52 52 GLY C C 52 168.863 168.863 173.438 -4.575 19792 2331 1 5 . 1 1 52 52 GLY CA C 52 42.919 42.919 46.014 -3.095 19792 2332 1 5 . 1 1 52 52 GLY H H 52 9.129 9.129 8.485 0.644 19792 2333 1 5 . 1 1 53 53 PHE N N 53 112.307 112.307 115.399 -3.092 19792 2334 1 5 . 1 1 53 53 PHE HA H 53 5.243 5.243 4.917 0.326 19792 2335 1 5 . 1 1 53 53 PHE C C 53 169.552 169.552 172.292 -2.740 19792 2336 1 5 . 1 1 53 53 PHE CA C 53 52.095 52.095 55.171 -3.076 19792 2337 1 5 . 1 1 53 53 PHE CB C 53 38.914 38.914 40.328 -1.414 19792 2338 1 5 . 1 1 53 53 PHE H H 53 6.845 6.845 7.254 -0.409 19792 2339 1 5 . 1 1 54 54 ALA N N 54 120.987 120.987 120.720 0.267 19792 2340 1 5 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.159 0.735 19792 2341 1 5 . 1 1 54 54 ALA C C 54 171.062 171.062 174.439 -3.377 19792 2342 1 5 . 1 1 54 54 ALA CA C 54 47.049 47.049 50.844 -3.795 19792 2343 1 5 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.238 0.588 19792 2344 1 5 . 1 1 54 54 ALA H H 54 8.970 8.970 7.771 1.199 19792 2345 1 5 . 1 1 55 55 PHE N N 55 114.157 114.157 117.481 -3.324 19792 2346 1 5 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.840 0.928 19792 2347 1 5 . 1 1 55 55 PHE C C 55 173.605 173.605 172.559 1.046 19792 2348 1 5 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.882 -3.801 19792 2349 1 5 . 1 1 55 55 PHE CB C 55 40.029 40.029 42.986 -2.958 19792 2350 1 5 . 1 1 55 55 PHE H H 55 8.837 8.837 8.307 0.530 19792 2351 1 5 . 1 1 56 56 VAL N N 56 123.812 123.812 125.586 -1.774 19792 2352 1 5 . 1 1 56 56 VAL HA H 56 4.474 4.474 3.846 0.628 19792 2353 1 5 . 1 1 56 56 VAL C C 56 171.401 171.401 173.366 -1.965 19792 2354 1 5 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.182 -2.334 19792 2355 1 5 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.628 -3.101 19792 2356 1 5 . 1 1 56 56 VAL H H 56 8.558 8.558 7.723 0.835 19792 2357 1 5 . 1 1 57 57 THR N N 57 123.000 123.000 118.135 4.865 19792 2358 1 5 . 1 1 57 57 THR HA H 57 4.974 4.974 4.634 0.340 19792 2359 1 5 . 1 1 57 57 THR C C 57 171.340 171.340 172.849 -1.509 19792 2360 1 5 . 1 1 57 57 THR CA C 57 58.659 58.659 61.073 -2.414 19792 2361 1 5 . 1 1 57 57 THR CB C 57 66.662 66.662 71.028 -4.366 19792 2362 1 5 . 1 1 57 57 THR H H 57 8.808 8.808 7.385 1.423 19792 2363 1 5 . 1 1 58 58 PHE N N 58 128.385 128.385 123.857 4.528 19792 2364 1 5 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.706 -0.023 19792 2365 1 5 . 1 1 58 58 PHE C C 58 172.367 172.367 175.786 -3.419 19792 2366 1 5 . 1 1 58 58 PHE CA C 58 55.449 55.449 57.069 -1.620 19792 2367 1 5 . 1 1 58 58 PHE CB C 58 37.909 37.909 41.365 -3.456 19792 2368 1 5 . 1 1 58 58 PHE H H 58 8.835 8.835 8.887 -0.052 19792 2369 1 5 . 1 1 59 59 GLU N N 59 121.627 121.627 123.468 -1.841 19792 2370 1 5 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.095 -0.329 19792 2371 1 5 . 1 1 59 59 GLU C C 59 173.666 173.666 176.081 -2.415 19792 2372 1 5 . 1 1 59 59 GLU CA C 59 56.293 56.293 59.080 -2.787 19792 2373 1 5 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.256 -2.469 19792 2374 1 5 . 1 1 59 59 GLU H H 59 8.067 8.067 8.451 -0.384 19792 2375 1 5 . 1 1 60 60 SER N N 60 112.302 112.302 111.683 0.619 19792 2376 1 5 . 1 1 60 60 SER HA H 60 5.163 5.163 4.919 0.244 19792 2377 1 5 . 1 1 60 60 SER CA C 60 50.137 50.137 55.582 -5.445 19792 2378 1 5 . 1 1 60 60 SER CB C 60 61.350 61.350 64.644 -3.294 19792 2379 1 5 . 1 1 60 60 SER H H 60 9.333 9.333 7.967 1.366 19792 2380 1 5 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.335 -0.337 19792 2381 1 5 . 1 1 61 61 PRO CA C 61 61.850 61.850 65.368 -3.518 19792 2382 1 5 . 1 1 61 61 PRO CB C 61 29.391 29.391 31.933 -2.542 19792 2383 1 5 . 1 1 62 62 ALA N N 62 121.088 121.088 120.985 0.103 19792 2384 1 5 . 1 1 62 62 ALA HA H 62 3.932 3.932 3.951 -0.019 19792 2385 1 5 . 1 1 62 62 ALA C C 62 176.826 176.826 179.292 -2.466 19792 2386 1 5 . 1 1 62 62 ALA CA C 62 52.266 52.266 55.421 -3.155 19792 2387 1 5 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.035 -2.417 19792 2388 1 5 . 1 1 62 62 ALA H H 62 7.821 7.821 8.230 -0.409 19792 2389 1 5 . 1 1 63 63 ASP N N 63 120.099 120.099 118.088 2.011 19792 2390 1 5 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.266 -0.174 19792 2391 1 5 . 1 1 63 63 ASP C C 63 174.505 174.505 177.541 -3.036 19792 2392 1 5 . 1 1 63 63 ASP CA C 63 53.809 53.809 56.870 -3.062 19792 2393 1 5 . 1 1 63 63 ASP CB C 63 37.374 37.374 40.363 -2.989 19792 2394 1 5 . 1 1 63 63 ASP H H 63 6.960 6.960 8.414 -1.454 19792 2395 1 5 . 1 1 64 64 ALA N N 64 119.533 119.533 121.629 -2.096 19792 2396 1 5 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.485 -0.344 19792 2397 1 5 . 1 1 64 64 ALA C C 64 176.037 176.037 179.373 -3.336 19792 2398 1 5 . 1 1 64 64 ALA CA C 64 51.399 51.399 54.595 -3.196 19792 2399 1 5 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.807 -3.242 19792 2400 1 5 . 1 1 64 64 ALA H H 64 6.771 6.771 7.142 -0.371 19792 2401 1 5 . 1 1 65 65 LYS N N 65 117.395 117.395 119.605 -2.210 19792 2402 1 5 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.914 -0.187 19792 2403 1 5 . 1 1 65 65 LYS C C 65 176.716 176.716 178.741 -2.025 19792 2404 1 5 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.492 -2.808 19792 2405 1 5 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.298 -3.115 19792 2406 1 5 . 1 1 65 65 LYS H H 65 7.478 7.478 8.117 -0.639 19792 2407 1 5 . 1 1 66 66 ASP N N 66 120.839 120.839 118.134 2.705 19792 2408 1 5 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.400 -0.217 19792 2409 1 5 . 1 1 66 66 ASP C C 66 175.111 175.111 178.477 -3.366 19792 2410 1 5 . 1 1 66 66 ASP CA C 66 54.430 54.430 56.947 -2.517 19792 2411 1 5 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.609 -2.889 19792 2412 1 5 . 1 1 66 66 ASP H H 66 7.403 7.403 7.925 -0.522 19792 2413 1 5 . 1 1 67 67 ALA N N 67 122.056 122.056 122.233 -0.177 19792 2414 1 5 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.351 -1.191 19792 2415 1 5 . 1 1 67 67 ALA C C 67 176.448 176.448 179.449 -3.001 19792 2416 1 5 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.536 -3.237 19792 2417 1 5 . 1 1 67 67 ALA CB C 67 17.253 17.253 17.766 -0.513 19792 2418 1 5 . 1 1 67 67 ALA H H 67 7.737 7.737 7.192 0.545 19792 2419 1 5 . 1 1 68 68 ALA N N 68 118.624 118.624 118.255 0.369 19792 2420 1 5 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.116 -0.417 19792 2421 1 5 . 1 1 68 68 ALA C C 68 176.619 176.619 177.431 -0.812 19792 2422 1 5 . 1 1 68 68 ALA CA C 68 52.280 52.280 53.773 -1.493 19792 2423 1 5 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.944 -4.095 19792 2424 1 5 . 1 1 68 68 ALA H H 68 8.108 8.108 7.560 0.548 19792 2425 1 5 . 1 1 69 69 ARG N N 69 116.265 116.265 115.345 0.920 19792 2426 1 5 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.743 -0.811 19792 2427 1 5 . 1 1 69 69 ARG C C 69 175.857 175.857 175.100 0.757 19792 2428 1 5 . 1 1 69 69 ARG CA C 69 55.734 55.734 55.795 -0.061 19792 2429 1 5 . 1 1 69 69 ARG CB C 69 27.249 27.249 31.060 -3.811 19792 2430 1 5 . 1 1 69 69 ARG H H 69 7.599 7.599 7.429 0.170 19792 2431 1 5 . 1 1 70 70 ASP N N 70 116.202 116.202 119.830 -3.628 19792 2432 1 5 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.695 -0.140 19792 2433 1 5 . 1 1 70 70 ASP C C 70 174.867 174.867 176.296 -1.429 19792 2434 1 5 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.266 -1.952 19792 2435 1 5 . 1 1 70 70 ASP CB C 70 39.839 39.839 42.310 -2.471 19792 2436 1 5 . 1 1 70 70 ASP H H 70 7.657 7.657 7.769 -0.112 19792 2437 1 5 . 1 1 71 71 MET N N 71 111.561 111.561 120.442 -8.881 19792 2438 1 5 . 1 1 71 71 MET HA H 71 4.742 4.742 4.431 0.311 19792 2439 1 5 . 1 1 71 71 MET C C 71 175.174 175.174 175.397 -0.223 19792 2440 1 5 . 1 1 71 71 MET CA C 71 50.378 50.378 56.145 -5.767 19792 2441 1 5 . 1 1 71 71 MET CB C 71 29.047 29.047 32.975 -3.929 19792 2442 1 5 . 1 1 71 71 MET H H 71 8.069 8.069 8.104 -0.035 19792 2443 1 5 . 1 1 72 72 ASN N N 72 116.196 116.196 117.412 -1.216 19792 2444 1 5 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.650 -0.369 19792 2445 1 5 . 1 1 72 72 ASN C C 72 173.812 173.812 176.098 -2.286 19792 2446 1 5 . 1 1 72 72 ASN CA C 72 53.826 53.826 54.270 -0.444 19792 2447 1 5 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.428 -2.543 19792 2448 1 5 . 1 1 72 72 ASN H H 72 7.442 7.442 7.733 -0.291 19792 2449 1 5 . 1 1 73 73 GLY N N 73 116.956 116.956 111.136 5.820 19792 2450 1 5 . 1 1 73 73 GLY C C 73 171.629 171.629 174.720 -3.091 19792 2451 1 5 . 1 1 73 73 GLY CA C 73 43.091 43.091 45.718 -2.627 19792 2452 1 5 . 1 1 73 73 GLY H H 73 8.884 8.884 8.678 0.206 19792 2453 1 5 . 1 1 74 74 LYS N N 74 120.829 120.829 120.635 0.194 19792 2454 1 5 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.239 0.001 19792 2455 1 5 . 1 1 74 74 LYS C C 74 172.132 172.132 176.354 -4.222 19792 2456 1 5 . 1 1 74 74 LYS CA C 74 52.333 52.333 57.043 -4.710 19792 2457 1 5 . 1 1 74 74 LYS CB C 74 30.131 30.131 33.508 -3.377 19792 2458 1 5 . 1 1 74 74 LYS H H 74 7.797 7.797 7.651 0.146 19792 2459 1 5 . 1 1 75 75 SER N N 75 112.883 112.883 115.399 -2.516 19792 2460 1 5 . 1 1 75 75 SER HA H 75 4.940 4.940 4.960 -0.020 19792 2461 1 5 . 1 1 75 75 SER C C 75 171.838 171.838 174.086 -2.248 19792 2462 1 5 . 1 1 75 75 SER CA C 75 54.722 54.722 57.988 -3.266 19792 2463 1 5 . 1 1 75 75 SER CB C 75 61.242 61.242 63.971 -2.729 19792 2464 1 5 . 1 1 75 75 SER H H 75 8.037 8.037 8.465 -0.428 19792 2465 1 5 . 1 1 76 76 LEU N N 76 127.669 127.669 123.754 3.915 19792 2466 1 5 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.566 -0.130 19792 2467 1 5 . 1 1 76 76 LEU C C 76 173.849 173.849 175.771 -1.922 19792 2468 1 5 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.509 -3.734 19792 2469 1 5 . 1 1 76 76 LEU CB C 76 41.886 41.886 44.033 -2.147 19792 2470 1 5 . 1 1 76 76 LEU H H 76 8.988 8.988 8.096 0.892 19792 2471 1 5 . 1 1 77 77 ASP N N 77 129.054 129.054 125.931 3.123 19792 2472 1 5 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.378 -0.204 19792 2473 1 5 . 1 1 77 77 ASP C C 77 173.415 173.415 176.096 -2.681 19792 2474 1 5 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.636 -2.760 19792 2475 1 5 . 1 1 77 77 ASP CB C 77 36.413 36.413 40.289 -3.876 19792 2476 1 5 . 1 1 77 77 ASP H H 77 9.523 9.523 9.087 0.436 19792 2477 1 5 . 1 1 78 78 GLY N N 78 101.915 101.915 103.150 -1.235 19792 2478 1 5 . 1 1 78 78 GLY C C 78 170.989 170.989 174.110 -3.121 19792 2479 1 5 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.080 -2.311 19792 2480 1 5 . 1 1 78 78 GLY H H 78 8.396 8.396 8.108 0.288 19792 2481 1 5 . 1 1 79 79 LYS N N 79 119.791 119.791 119.796 -0.005 19792 2482 1 5 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.987 -0.441 19792 2483 1 5 . 1 1 79 79 LYS C C 79 171.513 171.513 174.511 -2.998 19792 2484 1 5 . 1 1 79 79 LYS CA C 79 50.277 50.277 53.895 -3.618 19792 2485 1 5 . 1 1 79 79 LYS CB C 79 31.955 31.955 34.850 -2.895 19792 2486 1 5 . 1 1 79 79 LYS H H 79 7.269 7.269 7.921 -0.652 19792 2487 1 5 . 1 1 80 80 ALA N N 80 125.002 125.002 122.548 2.454 19792 2488 1 5 . 1 1 80 80 ALA HA H 80 4.365 4.365 5.055 -0.690 19792 2489 1 5 . 1 1 80 80 ALA C C 80 175.007 175.007 176.410 -1.403 19792 2490 1 5 . 1 1 80 80 ALA CA C 80 48.381 48.381 51.058 -2.677 19792 2491 1 5 . 1 1 80 80 ALA CB C 80 15.215 15.215 19.717 -4.502 19792 2492 1 5 . 1 1 80 80 ALA H H 80 8.235 8.235 8.578 -0.343 19792 2493 1 5 . 1 1 81 81 ILE N N 81 119.947 119.947 120.014 -0.067 19792 2494 1 5 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.928 -0.314 19792 2495 1 5 . 1 1 81 81 ILE C C 81 172.389 172.389 175.164 -2.775 19792 2496 1 5 . 1 1 81 81 ILE CA C 81 57.921 57.921 60.493 -2.572 19792 2497 1 5 . 1 1 81 81 ILE CB C 81 37.547 37.547 39.488 -1.941 19792 2498 1 5 . 1 1 81 81 ILE H H 81 8.204 8.204 8.511 -0.307 19792 2499 1 5 . 1 1 82 82 LYS N N 82 123.700 123.700 120.532 3.168 19792 2500 1 5 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.795 0.051 19792 2501 1 5 . 1 1 82 82 LYS C C 82 172.571 172.571 174.780 -2.209 19792 2502 1 5 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.134 -3.793 19792 2503 1 5 . 1 1 82 82 LYS CB C 82 31.948 31.948 36.116 -4.168 19792 2504 1 5 . 1 1 82 82 LYS H H 82 8.460 8.460 8.380 0.080 19792 2505 1 5 . 1 1 83 83 VAL N N 83 123.707 123.707 122.138 1.569 19792 2506 1 5 . 1 1 83 83 VAL HA H 83 5.068 5.068 5.230 -0.162 19792 2507 1 5 . 1 1 83 83 VAL C C 83 171.831 171.831 175.553 -3.722 19792 2508 1 5 . 1 1 83 83 VAL CA C 83 57.954 57.954 60.543 -2.589 19792 2509 1 5 . 1 1 83 83 VAL CB C 83 31.979 31.979 33.797 -1.818 19792 2510 1 5 . 1 1 83 83 VAL H H 83 8.653 8.653 8.550 0.103 19792 2511 1 5 . 1 1 84 84 GLU N N 84 123.150 123.150 124.438 -1.288 19792 2512 1 5 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.786 -0.102 19792 2513 1 5 . 1 1 84 84 GLU C C 84 172.141 172.141 174.331 -2.190 19792 2514 1 5 . 1 1 84 84 GLU CA C 84 51.305 51.305 54.327 -3.022 19792 2515 1 5 . 1 1 84 84 GLU CB C 84 31.690 31.690 33.015 -1.325 19792 2516 1 5 . 1 1 84 84 GLU H H 84 8.977 8.977 9.163 -0.186 19792 2517 1 5 . 1 1 85 85 GLN N N 85 121.740 121.740 118.017 3.723 19792 2518 1 5 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.673 -0.424 19792 2519 1 5 . 1 1 85 85 GLN C C 85 173.263 173.263 175.278 -2.015 19792 2520 1 5 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.326 -0.069 19792 2521 1 5 . 1 1 85 85 GLN CB C 85 26.519 26.519 30.871 -4.352 19792 2522 1 5 . 1 1 85 85 GLN H H 85 8.835 8.835 8.625 0.210 19792 2523 1 5 . 1 1 86 86 ALA N N 86 127.885 127.885 128.111 -0.226 19792 2524 1 5 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.632 -0.198 19792 2525 1 5 . 1 1 86 86 ALA C C 86 174.487 174.487 177.486 -2.999 19792 2526 1 5 . 1 1 86 86 ALA CA C 86 50.016 50.016 51.489 -1.473 19792 2527 1 5 . 1 1 86 86 ALA CB C 86 16.340 16.340 18.508 -2.168 19792 2528 1 5 . 1 1 86 86 ALA H H 86 8.608 8.608 8.715 -0.107 19792 2529 1 5 . 1 1 87 87 THR N N 87 113.372 113.372 118.137 -4.765 19792 2530 1 5 . 1 1 87 87 THR HA H 87 4.339 4.339 4.415 -0.076 19792 2531 1 5 . 1 1 87 87 THR C C 87 171.331 171.331 174.213 -2.882 19792 2532 1 5 . 1 1 87 87 THR CA C 87 58.219 58.219 61.464 -3.245 19792 2533 1 5 . 1 1 87 87 THR CB C 87 67.397 67.397 69.710 -2.313 19792 2534 1 5 . 1 1 87 87 THR H H 87 8.271 8.271 8.057 0.214 19792 2535 1 5 . 1 1 88 88 LYS N N 88 123.502 123.502 119.833 3.669 19792 2536 1 5 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.734 -0.261 19792 2537 1 5 . 1 1 88 88 LYS CA C 88 51.611 51.611 54.236 -2.625 19792 2538 1 5 . 1 1 88 88 LYS CB C 88 29.867 29.867 32.671 -2.804 19792 2539 1 5 . 1 1 88 88 LYS H H 88 8.203 8.203 8.150 0.053 19792 2540 1 5 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.419 -0.225 19792 2541 1 5 . 1 1 89 89 PRO C C 89 173.726 173.726 176.834 -3.108 19792 2542 1 5 . 1 1 89 89 PRO CA C 89 60.070 60.070 64.161 -4.091 19792 2543 1 5 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.276 -2.961 19792 2544 1 5 . 1 1 90 90 SER N N 90 115.260 115.260 112.360 2.900 19792 2545 1 5 . 1 1 90 90 SER HA H 90 4.229 4.229 4.616 -0.387 19792 2546 1 5 . 1 1 90 90 SER C C 90 171.123 171.123 172.318 -1.195 19792 2547 1 5 . 1 1 90 90 SER CA C 90 55.017 55.017 57.731 -2.715 19792 2548 1 5 . 1 1 90 90 SER CB C 90 60.977 60.977 64.485 -3.508 19792 2549 1 5 . 1 1 90 90 SER H H 90 7.991 7.991 7.674 0.317 19792 2550 1 5 . 1 1 91 91 PHE N N 91 121.128 121.128 120.934 0.194 19792 2551 1 5 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.531 -0.004 19792 2552 1 5 . 1 1 91 91 PHE C C 91 171.798 171.798 174.149 -2.351 19792 2553 1 5 . 1 1 91 91 PHE CA C 91 54.467 54.467 58.223 -3.756 19792 2554 1 5 . 1 1 91 91 PHE CB C 91 37.008 37.008 40.395 -3.387 19792 2555 1 5 . 1 1 91 91 PHE H H 91 8.004 8.004 8.214 -0.210 19792 2556 1 6 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.742 -0.146 19792 2557 1 6 . 1 1 2 2 HIS C C 2 171.930 171.930 174.059 -2.129 19792 2558 1 6 . 1 1 2 2 HIS CA C 2 52.879 52.879 57.112 -4.233 19792 2559 1 6 . 1 1 2 2 HIS CB C 2 27.693 27.693 30.451 -2.758 19792 2560 1 6 . 1 1 3 3 MET N N 3 122.778 122.778 123.598 -0.820 19792 2561 1 6 . 1 1 3 3 MET HA H 3 4.365 4.365 4.722 -0.357 19792 2562 1 6 . 1 1 3 3 MET C C 3 173.051 173.051 174.920 -1.869 19792 2563 1 6 . 1 1 3 3 MET CA C 3 52.457 52.457 55.129 -2.672 19792 2564 1 6 . 1 1 3 3 MET CB C 3 30.267 30.267 35.819 -5.552 19792 2565 1 6 . 1 1 3 3 MET H H 3 8.407 8.407 8.545 -0.138 19792 2566 1 6 . 1 1 4 4 VAL N N 4 121.985 121.985 122.671 -0.686 19792 2567 1 6 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.273 -0.281 19792 2568 1 6 . 1 1 4 4 VAL C C 4 173.161 173.161 175.762 -2.601 19792 2569 1 6 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.888 -3.699 19792 2570 1 6 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.494 -2.181 19792 2571 1 6 . 1 1 4 4 VAL H H 4 8.170 8.170 8.424 -0.254 19792 2572 1 6 . 1 1 5 5 GLU N N 5 124.990 124.990 123.138 1.852 19792 2573 1 6 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.333 -0.171 19792 2574 1 6 . 1 1 5 5 GLU C C 5 173.208 173.208 175.691 -2.483 19792 2575 1 6 . 1 1 5 5 GLU CA C 5 53.271 53.271 55.684 -2.413 19792 2576 1 6 . 1 1 5 5 GLU CB C 5 27.861 27.861 27.352 0.508 19792 2577 1 6 . 1 1 5 5 GLU H H 5 8.469 8.469 8.920 -0.451 19792 2578 1 6 . 1 1 6 6 ALA N N 6 124.750 124.750 123.674 1.076 19792 2579 1 6 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.287 -0.152 19792 2580 1 6 . 1 1 6 6 ALA C C 6 174.516 174.516 177.079 -2.563 19792 2581 1 6 . 1 1 6 6 ALA CA C 6 49.571 49.571 52.608 -3.037 19792 2582 1 6 . 1 1 6 6 ALA CB C 6 16.604 16.604 19.342 -2.738 19792 2583 1 6 . 1 1 6 6 ALA H H 6 8.229 8.229 7.726 0.503 19792 2584 1 6 . 1 1 7 7 ASP N N 7 119.477 119.477 121.671 -2.194 19792 2585 1 6 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.608 -0.178 19792 2586 1 6 . 1 1 7 7 ASP C C 7 173.005 173.005 174.532 -1.527 19792 2587 1 6 . 1 1 7 7 ASP CA C 7 51.032 51.032 53.934 -2.902 19792 2588 1 6 . 1 1 7 7 ASP CB C 7 38.658 38.658 43.177 -4.519 19792 2589 1 6 . 1 1 7 7 ASP H H 7 8.172 8.172 8.541 -0.369 19792 2590 1 6 . 1 1 8 8 ARG N N 8 121.454 121.454 123.607 -2.153 19792 2591 1 6 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.652 -0.549 19792 2592 1 6 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.599 0.109 19792 2593 1 6 . 1 1 8 8 ARG CB C 8 27.813 27.813 31.127 -3.314 19792 2594 1 6 . 1 1 8 8 ARG H H 8 8.168 8.168 8.353 -0.185 19792 2595 1 6 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.510 -0.097 19792 2596 1 6 . 1 1 9 9 PRO C C 9 174.662 174.662 175.852 -1.190 19792 2597 1 6 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.886 -2.080 19792 2598 1 6 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.285 -0.814 19792 2599 1 6 . 1 1 10 10 GLY N N 10 108.287 108.287 108.978 -0.691 19792 2600 1 6 . 1 1 10 10 GLY C C 10 169.715 169.715 173.037 -3.322 19792 2601 1 6 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.197 -2.668 19792 2602 1 6 . 1 1 10 10 GLY H H 10 8.769 8.769 8.372 0.397 19792 2603 1 6 . 1 1 11 11 LYS N N 11 122.177 122.177 120.038 2.139 19792 2604 1 6 . 1 1 11 11 LYS HA H 11 4.864 4.864 5.027 -0.163 19792 2605 1 6 . 1 1 11 11 LYS C C 11 172.419 172.419 175.409 -2.990 19792 2606 1 6 . 1 1 11 11 LYS CA C 11 53.417 53.417 55.058 -1.641 19792 2607 1 6 . 1 1 11 11 LYS CB C 11 32.058 32.058 36.613 -4.555 19792 2608 1 6 . 1 1 11 11 LYS H H 11 7.753 7.753 7.774 -0.021 19792 2609 1 6 . 1 1 12 12 LEU N N 12 127.116 127.116 118.900 8.216 19792 2610 1 6 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.886 0.053 19792 2611 1 6 . 1 1 12 12 LEU C C 12 173.185 173.185 174.902 -1.717 19792 2612 1 6 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.844 -3.543 19792 2613 1 6 . 1 1 12 12 LEU CB C 12 42.075 42.075 46.964 -4.889 19792 2614 1 6 . 1 1 12 12 LEU H H 12 9.465 9.465 7.848 1.617 19792 2615 1 6 . 1 1 13 13 PHE N N 13 122.922 122.922 121.934 0.988 19792 2616 1 6 . 1 1 13 13 PHE HA H 13 4.712 4.712 5.160 -0.448 19792 2617 1 6 . 1 1 13 13 PHE C C 13 170.330 170.330 173.444 -3.114 19792 2618 1 6 . 1 1 13 13 PHE CA C 13 54.041 54.041 56.853 -2.812 19792 2619 1 6 . 1 1 13 13 PHE CB C 13 38.520 38.520 42.933 -4.413 19792 2620 1 6 . 1 1 13 13 PHE H H 13 9.213 9.213 9.122 0.091 19792 2621 1 6 . 1 1 14 14 ILE N N 14 128.128 128.128 126.346 1.782 19792 2622 1 6 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.336 -0.521 19792 2623 1 6 . 1 1 14 14 ILE C C 14 171.441 171.441 174.993 -3.552 19792 2624 1 6 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.304 -3.893 19792 2625 1 6 . 1 1 14 14 ILE CB C 14 36.448 36.448 41.321 -4.873 19792 2626 1 6 . 1 1 14 14 ILE H H 14 8.304 8.304 8.587 -0.283 19792 2627 1 6 . 1 1 15 15 GLY N N 15 110.945 110.945 113.563 -2.618 19792 2628 1 6 . 1 1 15 15 GLY C C 15 170.863 170.863 173.689 -2.826 19792 2629 1 6 . 1 1 15 15 GLY CA C 15 40.913 40.913 45.712 -4.799 19792 2630 1 6 . 1 1 15 15 GLY H H 15 8.965 8.965 9.037 -0.072 19792 2631 1 6 . 1 1 16 16 GLY N N 16 107.025 107.025 110.149 -3.124 19792 2632 1 6 . 1 1 16 16 GLY C C 16 172.134 172.134 173.414 -1.280 19792 2633 1 6 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.691 -2.829 19792 2634 1 6 . 1 1 16 16 GLY H H 16 7.865 7.865 8.119 -0.254 19792 2635 1 6 . 1 1 17 17 LEU N N 17 115.104 115.104 120.438 -5.334 19792 2636 1 6 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.380 -0.468 19792 2637 1 6 . 1 1 17 17 LEU C C 17 176.024 176.024 176.082 -0.058 19792 2638 1 6 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.584 -3.002 19792 2639 1 6 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.775 -2.606 19792 2640 1 6 . 1 1 17 17 LEU H H 17 7.521 7.521 7.960 -0.439 19792 2641 1 6 . 1 1 18 18 ASN N N 18 120.666 120.666 117.696 2.970 19792 2642 1 6 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.754 -0.368 19792 2643 1 6 . 1 1 18 18 ASN C C 18 176.199 176.199 176.531 -0.332 19792 2644 1 6 . 1 1 18 18 ASN CA C 18 50.302 50.302 52.870 -2.568 19792 2645 1 6 . 1 1 18 18 ASN CB C 18 35.692 35.692 39.970 -4.278 19792 2646 1 6 . 1 1 18 18 ASN H H 18 9.528 9.528 8.650 0.878 19792 2647 1 6 . 1 1 19 19 THR N N 19 123.230 123.230 113.281 9.949 19792 2648 1 6 . 1 1 19 19 THR HA H 19 3.699 3.699 4.238 -0.539 19792 2649 1 6 . 1 1 19 19 THR C C 19 172.195 172.195 175.052 -2.857 19792 2650 1 6 . 1 1 19 19 THR CA C 19 62.512 62.512 64.541 -2.029 19792 2651 1 6 . 1 1 19 19 THR CB C 19 65.438 65.438 68.952 -3.514 19792 2652 1 6 . 1 1 19 19 THR H H 19 8.809 8.809 8.593 0.216 19792 2653 1 6 . 1 1 20 20 GLU N N 20 118.055 118.055 119.908 -1.853 19792 2654 1 6 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.549 -0.373 19792 2655 1 6 . 1 1 20 20 GLU C C 20 174.826 174.826 176.206 -1.380 19792 2656 1 6 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.047 -1.866 19792 2657 1 6 . 1 1 20 20 GLU CB C 20 27.076 27.076 30.353 -3.277 19792 2658 1 6 . 1 1 20 20 GLU H H 20 8.703 8.703 8.270 0.433 19792 2659 1 6 . 1 1 21 21 THR N N 21 119.209 119.209 117.450 1.759 19792 2660 1 6 . 1 1 21 21 THR HA H 21 3.930 3.930 4.284 -0.354 19792 2661 1 6 . 1 1 21 21 THR C C 21 171.688 171.688 173.597 -1.909 19792 2662 1 6 . 1 1 21 21 THR CA C 21 61.882 61.882 63.762 -1.880 19792 2663 1 6 . 1 1 21 21 THR CB C 21 65.397 65.397 69.567 -4.170 19792 2664 1 6 . 1 1 21 21 THR H H 21 7.514 7.514 7.942 -0.428 19792 2665 1 6 . 1 1 22 22 ASN N N 22 126.624 126.624 117.051 9.573 19792 2666 1 6 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.795 -0.026 19792 2667 1 6 . 1 1 22 22 ASN C C 22 172.032 172.032 175.115 -3.083 19792 2668 1 6 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.326 -4.620 19792 2669 1 6 . 1 1 22 22 ASN CB C 22 37.373 37.373 39.757 -2.384 19792 2670 1 6 . 1 1 22 22 ASN H H 22 8.031 8.031 8.153 -0.122 19792 2671 1 6 . 1 1 23 23 GLU N N 23 118.056 118.056 120.037 -1.981 19792 2672 1 6 . 1 1 23 23 GLU HA H 23 3.567 3.567 4.056 -0.489 19792 2673 1 6 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.488 -1.704 19792 2674 1 6 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.412 -3.550 19792 2675 1 6 . 1 1 23 23 GLU H H 23 10.151 10.151 8.778 1.373 19792 2676 1 6 . 1 1 24 24 LYS N N 24 118.897 118.897 118.452 0.445 19792 2677 1 6 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.091 -0.086 19792 2678 1 6 . 1 1 24 24 LYS C C 24 176.843 176.843 178.377 -1.534 19792 2679 1 6 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.792 -3.061 19792 2680 1 6 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.821 -2.450 19792 2681 1 6 . 1 1 24 24 LYS H H 24 7.839 7.839 8.328 -0.489 19792 2682 1 6 . 1 1 25 25 ALA N N 25 123.210 123.210 122.309 0.901 19792 2683 1 6 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.257 -0.088 19792 2684 1 6 . 1 1 25 25 ALA C C 25 178.048 178.048 179.519 -1.471 19792 2685 1 6 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.235 -2.367 19792 2686 1 6 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.483 -2.344 19792 2687 1 6 . 1 1 25 25 ALA H H 25 7.827 7.827 7.659 0.168 19792 2688 1 6 . 1 1 26 26 LEU N N 26 116.466 116.466 119.647 -3.181 19792 2689 1 6 . 1 1 26 26 LEU HA H 26 4.024 4.024 3.844 0.180 19792 2690 1 6 . 1 1 26 26 LEU C C 26 176.375 176.375 178.738 -2.363 19792 2691 1 6 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.793 -2.835 19792 2692 1 6 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.803 -2.102 19792 2693 1 6 . 1 1 26 26 LEU H H 26 7.652 7.652 8.158 -0.506 19792 2694 1 6 . 1 1 27 27 GLU N N 27 119.789 119.789 119.017 0.772 19792 2695 1 6 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.965 -0.374 19792 2696 1 6 . 1 1 27 27 GLU C C 27 176.206 176.206 178.742 -2.536 19792 2697 1 6 . 1 1 27 27 GLU CA C 27 57.072 57.072 60.023 -2.951 19792 2698 1 6 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.342 -2.275 19792 2699 1 6 . 1 1 27 27 GLU H H 27 8.480 8.480 8.537 -0.057 19792 2700 1 6 . 1 1 28 28 ALA N N 28 120.599 120.599 119.576 1.023 19792 2701 1 6 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.156 -0.117 19792 2702 1 6 . 1 1 28 28 ALA C C 28 177.506 177.506 178.988 -1.482 19792 2703 1 6 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.456 -2.549 19792 2704 1 6 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.389 -2.982 19792 2705 1 6 . 1 1 28 28 ALA H H 28 7.837 7.837 7.551 0.286 19792 2706 1 6 . 1 1 29 29 VAL N N 29 115.536 115.536 118.015 -2.479 19792 2707 1 6 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.688 0.138 19792 2708 1 6 . 1 1 29 29 VAL C C 29 174.998 174.998 177.145 -2.147 19792 2709 1 6 . 1 1 29 29 VAL CA C 29 61.999 61.999 65.915 -3.916 19792 2710 1 6 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.730 -1.852 19792 2711 1 6 . 1 1 29 29 VAL H H 29 7.626 7.626 7.457 0.169 19792 2712 1 6 . 1 1 30 30 PHE N N 30 115.465 115.465 115.266 0.199 19792 2713 1 6 . 1 1 30 30 PHE HA H 30 4.482 4.482 5.022 -0.540 19792 2714 1 6 . 1 1 30 30 PHE C C 30 174.725 174.725 178.252 -3.527 19792 2715 1 6 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.752 0.876 19792 2716 1 6 . 1 1 30 30 PHE CB C 30 35.394 35.394 39.897 -4.503 19792 2717 1 6 . 1 1 30 30 PHE H H 30 8.514 8.514 7.979 0.535 19792 2718 1 6 . 1 1 31 31 GLY N N 31 108.299 108.299 108.341 -0.042 19792 2719 1 6 . 1 1 31 31 GLY C C 31 172.455 172.455 175.237 -2.782 19792 2720 1 6 . 1 1 31 31 GLY CA C 31 43.505 43.505 47.156 -3.651 19792 2721 1 6 . 1 1 31 31 GLY H H 31 8.294 8.294 8.803 -0.509 19792 2722 1 6 . 1 1 32 32 LYS N N 32 117.309 117.309 119.944 -2.635 19792 2723 1 6 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.023 -0.097 19792 2724 1 6 . 1 1 32 32 LYS C C 32 174.779 174.779 176.429 -1.650 19792 2725 1 6 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.973 -3.273 19792 2726 1 6 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.057 -2.122 19792 2727 1 6 . 1 1 32 32 LYS H H 32 6.846 6.846 8.087 -1.241 19792 2728 1 6 . 1 1 33 33 TYR N N 33 115.635 115.635 118.218 -2.583 19792 2729 1 6 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.579 -0.462 19792 2730 1 6 . 1 1 33 33 TYR C C 33 171.935 171.935 176.515 -4.580 19792 2731 1 6 . 1 1 33 33 TYR CA C 33 56.609 56.609 59.031 -2.422 19792 2732 1 6 . 1 1 33 33 TYR CB C 33 35.735 35.735 40.014 -4.279 19792 2733 1 6 . 1 1 33 33 TYR H H 33 7.593 7.593 7.706 -0.113 19792 2734 1 6 . 1 1 34 34 GLY N N 34 104.503 104.503 104.521 -0.018 19792 2735 1 6 . 1 1 34 34 GLY C C 34 168.962 168.962 173.860 -4.898 19792 2736 1 6 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.018 -3.455 19792 2737 1 6 . 1 1 34 34 GLY H H 34 7.253 7.253 7.724 -0.471 19792 2738 1 6 . 1 1 35 35 ARG N N 35 116.679 116.679 119.754 -3.075 19792 2739 1 6 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.033 0.082 19792 2740 1 6 . 1 1 35 35 ARG C C 35 174.272 174.272 173.959 0.313 19792 2741 1 6 . 1 1 35 35 ARG CA C 35 54.785 54.785 57.653 -2.868 19792 2742 1 6 . 1 1 35 35 ARG CB C 35 27.958 27.958 30.817 -2.859 19792 2743 1 6 . 1 1 35 35 ARG H H 35 8.196 8.196 8.325 -0.129 19792 2744 1 6 . 1 1 36 36 ILE N N 36 128.885 128.885 118.574 10.311 19792 2745 1 6 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.288 -0.461 19792 2746 1 6 . 1 1 36 36 ILE C C 36 173.725 173.725 175.069 -1.344 19792 2747 1 6 . 1 1 36 36 ILE CA C 36 57.740 57.740 60.562 -2.822 19792 2748 1 6 . 1 1 36 36 ILE CB C 36 37.006 37.006 41.450 -4.444 19792 2749 1 6 . 1 1 36 36 ILE H H 36 8.760 8.760 8.245 0.515 19792 2750 1 6 . 1 1 37 37 VAL N N 37 122.612 122.612 122.665 -0.053 19792 2751 1 6 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.391 -0.308 19792 2752 1 6 . 1 1 37 37 VAL C C 37 172.917 172.917 175.005 -2.088 19792 2753 1 6 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.517 -2.171 19792 2754 1 6 . 1 1 37 37 VAL CB C 37 30.375 30.375 34.113 -3.738 19792 2755 1 6 . 1 1 37 37 VAL H H 37 8.751 8.751 8.436 0.315 19792 2756 1 6 . 1 1 38 38 GLU N N 38 118.683 118.683 120.076 -1.393 19792 2757 1 6 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.557 -0.189 19792 2758 1 6 . 1 1 38 38 GLU C C 38 170.647 170.647 174.065 -3.418 19792 2759 1 6 . 1 1 38 38 GLU CA C 38 53.636 53.636 55.661 -2.026 19792 2760 1 6 . 1 1 38 38 GLU CB C 38 31.112 31.112 33.249 -2.137 19792 2761 1 6 . 1 1 38 38 GLU H H 38 7.075 7.075 7.856 -0.781 19792 2762 1 6 . 1 1 39 39 VAL N N 39 125.880 125.880 123.816 2.064 19792 2763 1 6 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.219 0.100 19792 2764 1 6 . 1 1 39 39 VAL C C 39 170.693 170.693 174.593 -3.900 19792 2765 1 6 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.732 -2.676 19792 2766 1 6 . 1 1 39 39 VAL CB C 39 31.077 31.077 32.139 -1.062 19792 2767 1 6 . 1 1 39 39 VAL H H 39 8.509 8.509 8.557 -0.048 19792 2768 1 6 . 1 1 40 40 LEU N N 40 129.331 129.331 129.515 -0.184 19792 2769 1 6 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.735 -0.060 19792 2770 1 6 . 1 1 40 40 LEU C C 40 171.627 171.627 174.518 -2.891 19792 2771 1 6 . 1 1 40 40 LEU CA C 40 50.744 50.744 53.956 -3.212 19792 2772 1 6 . 1 1 40 40 LEU CB C 40 42.066 42.066 44.398 -2.332 19792 2773 1 6 . 1 1 40 40 LEU H H 40 8.928 8.928 8.676 0.252 19792 2774 1 6 . 1 1 41 41 LEU N N 41 128.574 128.574 128.320 0.254 19792 2775 1 6 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.637 -0.297 19792 2776 1 6 . 1 1 41 41 LEU C C 41 172.935 172.935 175.298 -2.363 19792 2777 1 6 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.045 -3.169 19792 2778 1 6 . 1 1 41 41 LEU CB C 41 41.547 41.547 44.093 -2.546 19792 2779 1 6 . 1 1 41 41 LEU H H 41 9.023 9.023 8.547 0.476 19792 2780 1 6 . 1 1 42 42 MET N N 42 125.617 125.617 126.716 -1.099 19792 2781 1 6 . 1 1 42 42 MET HA H 42 4.357 4.357 4.393 -0.036 19792 2782 1 6 . 1 1 42 42 MET C C 42 172.606 172.606 175.397 -2.791 19792 2783 1 6 . 1 1 42 42 MET CA C 42 51.857 51.857 53.233 -1.376 19792 2784 1 6 . 1 1 42 42 MET CB C 42 27.700 27.700 29.811 -2.111 19792 2785 1 6 . 1 1 42 42 MET H H 42 7.988 7.988 8.012 -0.024 19792 2786 1 6 . 1 1 43 43 LYS N N 43 121.956 121.956 123.928 -1.972 19792 2787 1 6 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.505 0.254 19792 2788 1 6 . 1 1 43 43 LYS C C 43 173.591 173.591 175.953 -2.362 19792 2789 1 6 . 1 1 43 43 LYS CA C 43 51.608 51.608 55.832 -4.224 19792 2790 1 6 . 1 1 43 43 LYS CB C 43 33.447 33.447 33.708 -0.261 19792 2791 1 6 . 1 1 43 43 LYS H H 43 8.289 8.289 8.176 0.113 19792 2792 1 6 . 1 1 44 44 ASP N N 44 123.608 123.608 121.381 2.227 19792 2793 1 6 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.795 -0.324 19792 2794 1 6 . 1 1 44 44 ASP C C 44 174.790 174.790 176.201 -1.411 19792 2795 1 6 . 1 1 44 44 ASP CA C 44 51.279 51.279 52.652 -1.373 19792 2796 1 6 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.515 -2.338 19792 2797 1 6 . 1 1 44 44 ASP H H 44 8.693 8.693 8.743 -0.050 19792 2798 1 6 . 1 1 45 45 ARG N N 45 126.884 126.884 122.226 4.658 19792 2799 1 6 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.269 -0.293 19792 2800 1 6 . 1 1 45 45 ARG C C 45 174.578 174.578 176.558 -1.980 19792 2801 1 6 . 1 1 45 45 ARG CA C 45 55.637 55.637 57.147 -1.510 19792 2802 1 6 . 1 1 45 45 ARG CB C 45 27.544 27.544 29.747 -2.203 19792 2803 1 6 . 1 1 45 45 ARG H H 45 8.875 8.875 8.761 0.114 19792 2804 1 6 . 1 1 46 46 GLU N N 46 117.313 117.313 120.243 -2.930 19792 2805 1 6 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.151 0.031 19792 2806 1 6 . 1 1 46 46 GLU C C 46 175.625 175.625 176.902 -1.277 19792 2807 1 6 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.715 -3.087 19792 2808 1 6 . 1 1 46 46 GLU CB C 46 27.597 27.597 29.642 -2.045 19792 2809 1 6 . 1 1 46 46 GLU H H 46 8.561 8.561 8.428 0.133 19792 2810 1 6 . 1 1 47 47 THR N N 47 107.019 107.019 110.559 -3.540 19792 2811 1 6 . 1 1 47 47 THR HA H 47 4.277 4.277 4.368 -0.091 19792 2812 1 6 . 1 1 47 47 THR C C 47 173.242 173.242 173.598 -0.356 19792 2813 1 6 . 1 1 47 47 THR CA C 47 58.709 58.709 62.072 -3.363 19792 2814 1 6 . 1 1 47 47 THR CB C 47 67.971 67.971 68.447 -0.476 19792 2815 1 6 . 1 1 47 47 THR H H 47 8.053 8.053 7.963 0.090 19792 2816 1 6 . 1 1 48 48 ASN N N 48 117.468 117.468 117.313 0.155 19792 2817 1 6 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.226 0.109 19792 2818 1 6 . 1 1 48 48 ASN C C 48 171.106 171.106 174.288 -3.182 19792 2819 1 6 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.802 -2.672 19792 2820 1 6 . 1 1 48 48 ASN CB C 48 35.645 35.645 37.345 -1.700 19792 2821 1 6 . 1 1 48 48 ASN H H 48 8.230 8.230 8.387 -0.157 19792 2822 1 6 . 1 1 49 49 LYS N N 49 117.523 117.523 117.842 -0.319 19792 2823 1 6 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.508 -0.212 19792 2824 1 6 . 1 1 49 49 LYS C C 49 173.910 173.910 176.609 -2.699 19792 2825 1 6 . 1 1 49 49 LYS CA C 49 52.763 52.763 56.674 -3.911 19792 2826 1 6 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.346 -2.307 19792 2827 1 6 . 1 1 49 49 LYS H H 49 7.517 7.517 7.686 -0.169 19792 2828 1 6 . 1 1 50 50 SER N N 50 115.960 115.960 115.843 0.117 19792 2829 1 6 . 1 1 50 50 SER HA H 50 4.197 4.197 4.362 -0.165 19792 2830 1 6 . 1 1 50 50 SER C C 50 173.417 173.417 175.346 -1.929 19792 2831 1 6 . 1 1 50 50 SER CA C 50 55.614 55.614 57.599 -1.985 19792 2832 1 6 . 1 1 50 50 SER CB C 50 61.524 61.524 63.658 -2.134 19792 2833 1 6 . 1 1 50 50 SER H H 50 8.705 8.705 8.286 0.419 19792 2834 1 6 . 1 1 51 51 ARG N N 51 124.058 124.058 124.192 -0.134 19792 2835 1 6 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.469 -0.161 19792 2836 1 6 . 1 1 51 51 ARG C C 51 174.657 174.657 176.885 -2.228 19792 2837 1 6 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.992 -2.599 19792 2838 1 6 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.588 -1.809 19792 2839 1 6 . 1 1 51 51 ARG H H 51 9.023 9.023 8.391 0.632 19792 2840 1 6 . 1 1 52 52 GLY N N 52 106.703 106.703 107.082 -0.379 19792 2841 1 6 . 1 1 52 52 GLY C C 52 168.863 168.863 173.630 -4.767 19792 2842 1 6 . 1 1 52 52 GLY CA C 52 42.919 42.919 45.546 -2.627 19792 2843 1 6 . 1 1 52 52 GLY H H 52 9.129 9.129 8.485 0.644 19792 2844 1 6 . 1 1 53 53 PHE N N 53 112.307 112.307 116.717 -4.410 19792 2845 1 6 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.407 -0.164 19792 2846 1 6 . 1 1 53 53 PHE C C 53 169.552 169.552 172.707 -3.155 19792 2847 1 6 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.540 -2.445 19792 2848 1 6 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.387 -2.473 19792 2849 1 6 . 1 1 53 53 PHE H H 53 6.845 6.845 7.303 -0.458 19792 2850 1 6 . 1 1 54 54 ALA N N 54 120.987 120.987 121.391 -0.404 19792 2851 1 6 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.303 0.591 19792 2852 1 6 . 1 1 54 54 ALA C C 54 171.062 171.062 174.270 -3.208 19792 2853 1 6 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.627 -4.578 19792 2854 1 6 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.238 0.588 19792 2855 1 6 . 1 1 54 54 ALA H H 54 8.970 8.970 8.548 0.422 19792 2856 1 6 . 1 1 55 55 PHE N N 55 114.157 114.157 119.083 -4.926 19792 2857 1 6 . 1 1 55 55 PHE HA H 55 5.768 5.768 5.140 0.628 19792 2858 1 6 . 1 1 55 55 PHE C C 55 173.605 173.605 173.094 0.511 19792 2859 1 6 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.878 -3.798 19792 2860 1 6 . 1 1 55 55 PHE CB C 55 40.029 40.029 43.227 -3.198 19792 2861 1 6 . 1 1 55 55 PHE H H 55 8.837 8.837 8.553 0.284 19792 2862 1 6 . 1 1 56 56 VAL N N 56 123.812 123.812 126.467 -2.655 19792 2863 1 6 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.393 0.081 19792 2864 1 6 . 1 1 56 56 VAL C C 56 171.401 171.401 173.965 -2.564 19792 2865 1 6 . 1 1 56 56 VAL CA C 56 57.848 57.848 59.912 -2.064 19792 2866 1 6 . 1 1 56 56 VAL CB C 56 32.527 32.527 34.996 -2.469 19792 2867 1 6 . 1 1 56 56 VAL H H 56 8.558 8.558 7.496 1.062 19792 2868 1 6 . 1 1 57 57 THR N N 57 123.000 123.000 120.016 2.984 19792 2869 1 6 . 1 1 57 57 THR HA H 57 4.974 4.974 4.658 0.316 19792 2870 1 6 . 1 1 57 57 THR C C 57 171.340 171.340 172.986 -1.646 19792 2871 1 6 . 1 1 57 57 THR CA C 57 58.659 58.659 60.641 -1.982 19792 2872 1 6 . 1 1 57 57 THR CB C 57 66.662 66.662 71.053 -4.391 19792 2873 1 6 . 1 1 57 57 THR H H 57 8.808 8.808 8.125 0.683 19792 2874 1 6 . 1 1 58 58 PHE N N 58 128.385 128.385 123.136 5.249 19792 2875 1 6 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.820 -0.137 19792 2876 1 6 . 1 1 58 58 PHE C C 58 172.367 172.367 175.762 -3.395 19792 2877 1 6 . 1 1 58 58 PHE CA C 58 55.449 55.449 56.422 -0.973 19792 2878 1 6 . 1 1 58 58 PHE CB C 58 37.909 37.909 40.960 -3.051 19792 2879 1 6 . 1 1 58 58 PHE H H 58 8.835 8.835 8.910 -0.075 19792 2880 1 6 . 1 1 59 59 GLU N N 59 121.627 121.627 122.828 -1.201 19792 2881 1 6 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.158 -0.392 19792 2882 1 6 . 1 1 59 59 GLU C C 59 173.666 173.666 176.929 -3.263 19792 2883 1 6 . 1 1 59 59 GLU CA C 59 56.293 56.293 57.980 -1.687 19792 2884 1 6 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.178 -2.391 19792 2885 1 6 . 1 1 59 59 GLU H H 59 8.067 8.067 8.917 -0.850 19792 2886 1 6 . 1 1 60 60 SER N N 60 112.302 112.302 114.858 -2.556 19792 2887 1 6 . 1 1 60 60 SER HA H 60 5.163 5.163 4.738 0.425 19792 2888 1 6 . 1 1 60 60 SER CA C 60 50.137 50.137 56.014 -5.877 19792 2889 1 6 . 1 1 60 60 SER CB C 60 61.350 61.350 63.472 -2.123 19792 2890 1 6 . 1 1 60 60 SER H H 60 9.333 9.333 8.076 1.257 19792 2891 1 6 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.355 -0.357 19792 2892 1 6 . 1 1 61 61 PRO CA C 61 61.850 61.850 65.358 -3.507 19792 2893 1 6 . 1 1 61 61 PRO CB C 61 29.391 29.391 31.788 -2.397 19792 2894 1 6 . 1 1 62 62 ALA N N 62 121.088 121.088 120.186 0.902 19792 2895 1 6 . 1 1 62 62 ALA HA H 62 3.932 3.932 3.972 -0.040 19792 2896 1 6 . 1 1 62 62 ALA C C 62 176.826 176.826 179.169 -2.343 19792 2897 1 6 . 1 1 62 62 ALA CA C 62 52.266 52.266 55.025 -2.759 19792 2898 1 6 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.314 -2.696 19792 2899 1 6 . 1 1 62 62 ALA H H 62 7.821 7.821 8.326 -0.505 19792 2900 1 6 . 1 1 63 63 ASP N N 63 120.099 120.099 118.036 2.063 19792 2901 1 6 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.383 -0.291 19792 2902 1 6 . 1 1 63 63 ASP C C 63 174.505 174.505 177.497 -2.992 19792 2903 1 6 . 1 1 63 63 ASP CA C 63 53.809 53.809 56.991 -3.182 19792 2904 1 6 . 1 1 63 63 ASP CB C 63 37.374 37.374 40.427 -3.053 19792 2905 1 6 . 1 1 63 63 ASP H H 63 6.960 6.960 7.904 -0.944 19792 2906 1 6 . 1 1 64 64 ALA N N 64 119.533 119.533 120.987 -1.454 19792 2907 1 6 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.223 -0.082 19792 2908 1 6 . 1 1 64 64 ALA C C 64 176.037 176.037 178.366 -2.329 19792 2909 1 6 . 1 1 64 64 ALA CA C 64 51.399 51.399 53.330 -1.931 19792 2910 1 6 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.532 -2.967 19792 2911 1 6 . 1 1 64 64 ALA H H 64 6.771 6.771 7.311 -0.539 19792 2912 1 6 . 1 1 65 65 LYS N N 65 117.395 117.395 119.320 -1.925 19792 2913 1 6 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.889 -0.162 19792 2914 1 6 . 1 1 65 65 LYS C C 65 176.716 176.716 178.666 -1.950 19792 2915 1 6 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.650 -2.966 19792 2916 1 6 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.391 -3.208 19792 2917 1 6 . 1 1 65 65 LYS H H 65 7.478 7.478 7.420 0.058 19792 2918 1 6 . 1 1 66 66 ASP N N 66 120.839 120.839 119.402 1.437 19792 2919 1 6 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.395 -0.212 19792 2920 1 6 . 1 1 66 66 ASP C C 66 175.111 175.111 178.514 -3.403 19792 2921 1 6 . 1 1 66 66 ASP CA C 66 54.430 54.430 57.012 -2.582 19792 2922 1 6 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.711 -2.990 19792 2923 1 6 . 1 1 66 66 ASP H H 66 7.403 7.403 7.835 -0.432 19792 2924 1 6 . 1 1 67 67 ALA N N 67 122.056 122.056 119.550 2.506 19792 2925 1 6 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.456 -1.296 19792 2926 1 6 . 1 1 67 67 ALA C C 67 176.448 176.448 177.028 -0.580 19792 2927 1 6 . 1 1 67 67 ALA CA C 67 51.299 51.299 53.355 -2.056 19792 2928 1 6 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.426 -1.173 19792 2929 1 6 . 1 1 67 67 ALA H H 67 7.737 7.737 7.408 0.329 19792 2930 1 6 . 1 1 68 68 ALA N N 68 118.624 118.624 117.762 0.862 19792 2931 1 6 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.405 -0.706 19792 2932 1 6 . 1 1 68 68 ALA C C 68 176.619 176.619 176.844 -0.225 19792 2933 1 6 . 1 1 68 68 ALA CA C 68 52.280 52.280 51.654 0.626 19792 2934 1 6 . 1 1 68 68 ALA CB C 68 14.849 14.849 19.812 -4.963 19792 2935 1 6 . 1 1 68 68 ALA H H 68 8.108 8.108 7.307 0.801 19792 2936 1 6 . 1 1 69 69 ARG N N 69 116.265 116.265 117.500 -1.235 19792 2937 1 6 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.450 -0.518 19792 2938 1 6 . 1 1 69 69 ARG C C 69 175.857 175.857 175.834 0.023 19792 2939 1 6 . 1 1 69 69 ARG CA C 69 55.734 55.734 56.712 -0.978 19792 2940 1 6 . 1 1 69 69 ARG CB C 69 27.249 27.249 31.434 -4.185 19792 2941 1 6 . 1 1 69 69 ARG H H 69 7.599 7.599 7.853 -0.254 19792 2942 1 6 . 1 1 70 70 ASP N N 70 116.202 116.202 119.454 -3.252 19792 2943 1 6 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.646 -0.091 19792 2944 1 6 . 1 1 70 70 ASP C C 70 174.867 174.867 176.527 -1.660 19792 2945 1 6 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.349 -2.035 19792 2946 1 6 . 1 1 70 70 ASP CB C 70 39.839 39.839 42.332 -2.493 19792 2947 1 6 . 1 1 70 70 ASP H H 70 7.657 7.657 7.977 -0.320 19792 2948 1 6 . 1 1 71 71 MET N N 71 111.561 111.561 118.731 -7.170 19792 2949 1 6 . 1 1 71 71 MET HA H 71 4.742 4.742 4.283 0.459 19792 2950 1 6 . 1 1 71 71 MET C C 71 175.174 175.174 175.588 -0.414 19792 2951 1 6 . 1 1 71 71 MET CA C 71 50.378 50.378 57.082 -6.704 19792 2952 1 6 . 1 1 71 71 MET CB C 71 29.047 29.047 33.158 -4.112 19792 2953 1 6 . 1 1 71 71 MET H H 71 8.069 8.069 7.326 0.743 19792 2954 1 6 . 1 1 72 72 ASN N N 72 116.196 116.196 117.305 -1.109 19792 2955 1 6 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.632 -0.351 19792 2956 1 6 . 1 1 72 72 ASN C C 72 173.812 173.812 175.938 -2.126 19792 2957 1 6 . 1 1 72 72 ASN CA C 72 53.826 53.826 54.128 -0.302 19792 2958 1 6 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.584 -2.699 19792 2959 1 6 . 1 1 72 72 ASN H H 72 7.442 7.442 7.746 -0.304 19792 2960 1 6 . 1 1 73 73 GLY N N 73 116.956 116.956 106.337 10.619 19792 2961 1 6 . 1 1 73 73 GLY C C 73 171.629 171.629 174.142 -2.513 19792 2962 1 6 . 1 1 73 73 GLY CA C 73 43.091 43.091 45.767 -2.676 19792 2963 1 6 . 1 1 73 73 GLY H H 73 8.884 8.884 8.846 0.038 19792 2964 1 6 . 1 1 74 74 LYS N N 74 120.829 120.829 118.984 1.845 19792 2965 1 6 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.722 -0.482 19792 2966 1 6 . 1 1 74 74 LYS C C 74 172.132 172.132 174.983 -2.851 19792 2967 1 6 . 1 1 74 74 LYS CA C 74 52.333 52.333 54.503 -2.170 19792 2968 1 6 . 1 1 74 74 LYS CB C 74 30.131 30.131 34.444 -4.313 19792 2969 1 6 . 1 1 74 74 LYS H H 74 7.797 7.797 7.900 -0.103 19792 2970 1 6 . 1 1 75 75 SER N N 75 112.883 112.883 113.637 -0.754 19792 2971 1 6 . 1 1 75 75 SER HA H 75 4.940 4.940 5.128 -0.188 19792 2972 1 6 . 1 1 75 75 SER C C 75 171.838 171.838 173.677 -1.839 19792 2973 1 6 . 1 1 75 75 SER CA C 75 54.722 54.722 57.171 -2.449 19792 2974 1 6 . 1 1 75 75 SER CB C 75 61.242 61.242 65.100 -3.858 19792 2975 1 6 . 1 1 75 75 SER H H 75 8.037 8.037 8.247 -0.210 19792 2976 1 6 . 1 1 76 76 LEU N N 76 127.669 127.669 120.797 6.872 19792 2977 1 6 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.410 0.026 19792 2978 1 6 . 1 1 76 76 LEU C C 76 173.849 173.849 177.090 -3.241 19792 2979 1 6 . 1 1 76 76 LEU CA C 76 51.775 51.775 53.694 -1.919 19792 2980 1 6 . 1 1 76 76 LEU CB C 76 41.886 41.886 42.892 -1.006 19792 2981 1 6 . 1 1 76 76 LEU H H 76 8.988 8.988 8.675 0.313 19792 2982 1 6 . 1 1 77 77 ASP N N 77 129.054 129.054 119.965 9.089 19792 2983 1 6 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.378 -0.204 19792 2984 1 6 . 1 1 77 77 ASP C C 77 173.415 173.415 176.668 -3.253 19792 2985 1 6 . 1 1 77 77 ASP CA C 77 52.876 52.876 56.321 -3.445 19792 2986 1 6 . 1 1 77 77 ASP CB C 77 36.413 36.413 40.696 -4.283 19792 2987 1 6 . 1 1 77 77 ASP H H 77 9.523 9.523 8.699 0.824 19792 2988 1 6 . 1 1 78 78 GLY N N 78 101.915 101.915 104.440 -2.525 19792 2989 1 6 . 1 1 78 78 GLY C C 78 170.989 170.989 173.285 -2.296 19792 2990 1 6 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.189 -2.420 19792 2991 1 6 . 1 1 78 78 GLY H H 78 8.396 8.396 8.240 0.156 19792 2992 1 6 . 1 1 79 79 LYS N N 79 119.791 119.791 119.663 0.128 19792 2993 1 6 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.634 -0.088 19792 2994 1 6 . 1 1 79 79 LYS C C 79 171.513 171.513 175.087 -3.574 19792 2995 1 6 . 1 1 79 79 LYS CA C 79 50.277 50.277 54.552 -4.275 19792 2996 1 6 . 1 1 79 79 LYS CB C 79 31.955 31.955 34.980 -3.025 19792 2997 1 6 . 1 1 79 79 LYS H H 79 7.269 7.269 7.757 -0.488 19792 2998 1 6 . 1 1 80 80 ALA N N 80 125.002 125.002 126.507 -1.505 19792 2999 1 6 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.473 -0.108 19792 3000 1 6 . 1 1 80 80 ALA C C 80 175.007 175.007 177.542 -2.535 19792 3001 1 6 . 1 1 80 80 ALA CA C 80 48.381 48.381 51.558 -3.177 19792 3002 1 6 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.180 -2.966 19792 3003 1 6 . 1 1 80 80 ALA H H 80 8.235 8.235 8.666 -0.431 19792 3004 1 6 . 1 1 81 81 ILE N N 81 119.947 119.947 120.387 -0.440 19792 3005 1 6 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.282 0.332 19792 3006 1 6 . 1 1 81 81 ILE C C 81 172.389 172.389 174.784 -2.395 19792 3007 1 6 . 1 1 81 81 ILE CA C 81 57.921 57.921 61.419 -3.498 19792 3008 1 6 . 1 1 81 81 ILE CB C 81 37.547 37.547 38.915 -1.368 19792 3009 1 6 . 1 1 81 81 ILE H H 81 8.204 8.204 7.553 0.651 19792 3010 1 6 . 1 1 82 82 LYS N N 82 123.700 123.700 120.199 3.501 19792 3011 1 6 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.613 0.233 19792 3012 1 6 . 1 1 82 82 LYS C C 82 172.571 172.571 174.432 -1.861 19792 3013 1 6 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.126 -3.785 19792 3014 1 6 . 1 1 82 82 LYS CB C 82 31.948 31.948 35.868 -3.920 19792 3015 1 6 . 1 1 82 82 LYS H H 82 8.460 8.460 8.383 0.077 19792 3016 1 6 . 1 1 83 83 VAL N N 83 123.707 123.707 123.267 0.440 19792 3017 1 6 . 1 1 83 83 VAL HA H 83 5.068 5.068 4.982 0.086 19792 3018 1 6 . 1 1 83 83 VAL C C 83 171.831 171.831 175.265 -3.434 19792 3019 1 6 . 1 1 83 83 VAL CA C 83 57.954 57.954 60.962 -3.008 19792 3020 1 6 . 1 1 83 83 VAL CB C 83 31.979 31.979 33.774 -1.795 19792 3021 1 6 . 1 1 83 83 VAL H H 83 8.653 8.653 8.586 0.067 19792 3022 1 6 . 1 1 84 84 GLU N N 84 123.150 123.150 126.124 -2.974 19792 3023 1 6 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.835 -0.151 19792 3024 1 6 . 1 1 84 84 GLU C C 84 172.141 172.141 174.956 -2.815 19792 3025 1 6 . 1 1 84 84 GLU CA C 84 51.305 51.305 54.165 -2.860 19792 3026 1 6 . 1 1 84 84 GLU CB C 84 31.690 31.690 32.570 -0.880 19792 3027 1 6 . 1 1 84 84 GLU H H 84 8.977 8.977 9.335 -0.358 19792 3028 1 6 . 1 1 85 85 GLN N N 85 121.740 121.740 119.813 1.927 19792 3029 1 6 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.482 -0.233 19792 3030 1 6 . 1 1 85 85 GLN C C 85 173.263 173.263 175.722 -2.459 19792 3031 1 6 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.869 -0.612 19792 3032 1 6 . 1 1 85 85 GLN CB C 85 26.519 26.519 28.824 -2.305 19792 3033 1 6 . 1 1 85 85 GLN H H 85 8.835 8.835 8.861 -0.026 19792 3034 1 6 . 1 1 86 86 ALA N N 86 127.885 127.885 129.768 -1.883 19792 3035 1 6 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.295 0.139 19792 3036 1 6 . 1 1 86 86 ALA C C 86 174.487 174.487 176.831 -2.344 19792 3037 1 6 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.278 -2.262 19792 3038 1 6 . 1 1 86 86 ALA CB C 86 16.340 16.340 17.557 -1.217 19792 3039 1 6 . 1 1 86 86 ALA H H 86 8.608 8.608 8.863 -0.255 19792 3040 1 6 . 1 1 87 87 THR N N 87 113.372 113.372 114.596 -1.224 19792 3041 1 6 . 1 1 87 87 THR HA H 87 4.339 4.339 4.536 -0.197 19792 3042 1 6 . 1 1 87 87 THR C C 87 171.331 171.331 172.843 -1.512 19792 3043 1 6 . 1 1 87 87 THR CA C 87 58.219 58.219 61.388 -3.169 19792 3044 1 6 . 1 1 87 87 THR CB C 87 67.397 67.397 70.493 -3.096 19792 3045 1 6 . 1 1 87 87 THR H H 87 8.271 8.271 7.800 0.471 19792 3046 1 6 . 1 1 88 88 LYS N N 88 123.502 123.502 123.948 -0.446 19792 3047 1 6 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.730 -0.257 19792 3048 1 6 . 1 1 88 88 LYS CA C 88 51.611 51.611 54.106 -2.495 19792 3049 1 6 . 1 1 88 88 LYS CB C 88 29.867 29.867 31.351 -1.484 19792 3050 1 6 . 1 1 88 88 LYS H H 88 8.203 8.203 8.523 -0.320 19792 3051 1 6 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.604 -0.410 19792 3052 1 6 . 1 1 89 89 PRO C C 89 173.726 173.726 176.262 -2.536 19792 3053 1 6 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.879 -3.809 19792 3054 1 6 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.202 -2.887 19792 3055 1 6 . 1 1 90 90 SER N N 90 115.260 115.260 114.921 0.339 19792 3056 1 6 . 1 1 90 90 SER HA H 90 4.229 4.229 4.742 -0.513 19792 3057 1 6 . 1 1 90 90 SER C C 90 171.123 171.123 172.848 -1.725 19792 3058 1 6 . 1 1 90 90 SER CA C 90 55.017 55.017 57.596 -2.579 19792 3059 1 6 . 1 1 90 90 SER CB C 90 60.977 60.977 65.154 -4.177 19792 3060 1 6 . 1 1 90 90 SER H H 90 7.991 7.991 7.710 0.281 19792 3061 1 6 . 1 1 91 91 PHE N N 91 121.128 121.128 118.616 2.512 19792 3062 1 6 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.744 -0.217 19792 3063 1 6 . 1 1 91 91 PHE C C 91 171.798 171.798 175.171 -3.373 19792 3064 1 6 . 1 1 91 91 PHE CA C 91 54.467 54.467 56.831 -2.364 19792 3065 1 6 . 1 1 91 91 PHE CB C 91 37.008 37.008 41.431 -4.423 19792 3066 1 6 . 1 1 91 91 PHE H H 91 8.004 8.004 8.128 -0.124 19792 3067 1 7 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.866 -0.270 19792 3068 1 7 . 1 1 2 2 HIS C C 2 171.930 171.930 174.178 -2.248 19792 3069 1 7 . 1 1 2 2 HIS CA C 2 52.879 52.879 55.684 -2.805 19792 3070 1 7 . 1 1 2 2 HIS CB C 2 27.693 27.693 31.149 -3.456 19792 3071 1 7 . 1 1 3 3 MET N N 3 122.778 122.778 124.406 -1.628 19792 3072 1 7 . 1 1 3 3 MET HA H 3 4.365 4.365 4.942 -0.577 19792 3073 1 7 . 1 1 3 3 MET C C 3 173.051 173.051 174.996 -1.945 19792 3074 1 7 . 1 1 3 3 MET CA C 3 52.457 52.457 55.515 -3.058 19792 3075 1 7 . 1 1 3 3 MET CB C 3 30.267 30.267 34.670 -4.403 19792 3076 1 7 . 1 1 3 3 MET H H 3 8.407 8.407 8.742 -0.335 19792 3077 1 7 . 1 1 4 4 VAL N N 4 121.985 121.985 121.694 0.291 19792 3078 1 7 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.230 -0.238 19792 3079 1 7 . 1 1 4 4 VAL C C 4 173.161 173.161 176.124 -2.963 19792 3080 1 7 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.389 -3.200 19792 3081 1 7 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.783 -2.470 19792 3082 1 7 . 1 1 4 4 VAL H H 4 8.170 8.170 8.536 -0.366 19792 3083 1 7 . 1 1 5 5 GLU N N 5 124.990 124.990 124.064 0.926 19792 3084 1 7 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.355 -0.193 19792 3085 1 7 . 1 1 5 5 GLU C C 5 173.208 173.208 175.854 -2.646 19792 3086 1 7 . 1 1 5 5 GLU CA C 5 53.271 53.271 56.242 -2.971 19792 3087 1 7 . 1 1 5 5 GLU CB C 5 27.861 27.861 27.550 0.311 19792 3088 1 7 . 1 1 5 5 GLU H H 5 8.469 8.469 8.685 -0.216 19792 3089 1 7 . 1 1 6 6 ALA N N 6 124.750 124.750 121.895 2.855 19792 3090 1 7 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.572 -0.437 19792 3091 1 7 . 1 1 6 6 ALA C C 6 174.516 174.516 176.724 -2.208 19792 3092 1 7 . 1 1 6 6 ALA CA C 6 49.571 49.571 52.246 -2.675 19792 3093 1 7 . 1 1 6 6 ALA CB C 6 16.604 16.604 20.141 -3.537 19792 3094 1 7 . 1 1 6 6 ALA H H 6 8.229 8.229 8.010 0.219 19792 3095 1 7 . 1 1 7 7 ASP N N 7 119.477 119.477 120.429 -0.952 19792 3096 1 7 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.570 -0.140 19792 3097 1 7 . 1 1 7 7 ASP C C 7 173.005 173.005 175.269 -2.264 19792 3098 1 7 . 1 1 7 7 ASP CA C 7 51.032 51.032 54.129 -3.097 19792 3099 1 7 . 1 1 7 7 ASP CB C 7 38.658 38.658 39.902 -1.244 19792 3100 1 7 . 1 1 7 7 ASP H H 7 8.172 8.172 8.479 -0.307 19792 3101 1 7 . 1 1 8 8 ARG N N 8 121.454 121.454 121.746 -0.292 19792 3102 1 7 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.809 -0.706 19792 3103 1 7 . 1 1 8 8 ARG CA C 8 54.708 54.708 53.298 1.410 19792 3104 1 7 . 1 1 8 8 ARG CB C 8 27.813 27.813 29.366 -1.553 19792 3105 1 7 . 1 1 8 8 ARG H H 8 8.168 8.168 8.046 0.122 19792 3106 1 7 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.488 -0.075 19792 3107 1 7 . 1 1 9 9 PRO C C 9 174.662 174.662 176.804 -2.142 19792 3108 1 7 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.133 -1.327 19792 3109 1 7 . 1 1 9 9 PRO CB C 9 29.471 29.471 29.911 -0.440 19792 3110 1 7 . 1 1 10 10 GLY N N 10 108.287 108.287 109.509 -1.222 19792 3111 1 7 . 1 1 10 10 GLY C C 10 169.715 169.715 173.480 -3.765 19792 3112 1 7 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.777 -3.248 19792 3113 1 7 . 1 1 10 10 GLY H H 10 8.769 8.769 8.235 0.534 19792 3114 1 7 . 1 1 11 11 LYS N N 11 122.177 122.177 118.897 3.280 19792 3115 1 7 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.917 -0.053 19792 3116 1 7 . 1 1 11 11 LYS C C 11 172.419 172.419 176.057 -3.638 19792 3117 1 7 . 1 1 11 11 LYS CA C 11 53.417 53.417 55.617 -2.200 19792 3118 1 7 . 1 1 11 11 LYS CB C 11 32.058 32.058 34.708 -2.650 19792 3119 1 7 . 1 1 11 11 LYS H H 11 7.753 7.753 7.820 -0.067 19792 3120 1 7 . 1 1 12 12 LEU N N 12 127.116 127.116 124.281 2.835 19792 3121 1 7 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.730 0.209 19792 3122 1 7 . 1 1 12 12 LEU C C 12 173.185 173.185 175.411 -2.226 19792 3123 1 7 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.545 -3.244 19792 3124 1 7 . 1 1 12 12 LEU CB C 12 42.075 42.075 45.560 -3.485 19792 3125 1 7 . 1 1 12 12 LEU H H 12 9.465 9.465 8.057 1.408 19792 3126 1 7 . 1 1 13 13 PHE N N 13 122.922 122.922 119.022 3.900 19792 3127 1 7 . 1 1 13 13 PHE HA H 13 4.712 4.712 5.016 -0.304 19792 3128 1 7 . 1 1 13 13 PHE C C 13 170.330 170.330 173.394 -3.064 19792 3129 1 7 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.440 -3.399 19792 3130 1 7 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.877 -5.357 19792 3131 1 7 . 1 1 13 13 PHE H H 13 9.213 9.213 8.818 0.395 19792 3132 1 7 . 1 1 14 14 ILE N N 14 128.128 128.128 124.284 3.844 19792 3133 1 7 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.322 -0.507 19792 3134 1 7 . 1 1 14 14 ILE C C 14 171.441 171.441 174.487 -3.046 19792 3135 1 7 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.862 -4.451 19792 3136 1 7 . 1 1 14 14 ILE CB C 14 36.448 36.448 42.016 -5.568 19792 3137 1 7 . 1 1 14 14 ILE H H 14 8.304 8.304 7.900 0.404 19792 3138 1 7 . 1 1 15 15 GLY N N 15 110.945 110.945 113.691 -2.746 19792 3139 1 7 . 1 1 15 15 GLY C C 15 170.863 170.863 173.925 -3.062 19792 3140 1 7 . 1 1 15 15 GLY CA C 15 40.913 40.913 44.858 -3.945 19792 3141 1 7 . 1 1 15 15 GLY H H 15 8.965 8.965 8.653 0.312 19792 3142 1 7 . 1 1 16 16 GLY N N 16 107.025 107.025 112.993 -5.968 19792 3143 1 7 . 1 1 16 16 GLY C C 16 172.134 172.134 174.013 -1.879 19792 3144 1 7 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.141 -2.279 19792 3145 1 7 . 1 1 16 16 GLY H H 16 7.865 7.865 8.869 -1.004 19792 3146 1 7 . 1 1 17 17 LEU N N 17 115.104 115.104 120.103 -4.999 19792 3147 1 7 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.350 -0.438 19792 3148 1 7 . 1 1 17 17 LEU C C 17 176.024 176.024 177.073 -1.049 19792 3149 1 7 . 1 1 17 17 LEU CA C 17 51.583 51.583 53.999 -2.416 19792 3150 1 7 . 1 1 17 17 LEU CB C 17 40.169 40.169 41.386 -1.218 19792 3151 1 7 . 1 1 17 17 LEU H H 17 7.521 7.521 8.013 -0.492 19792 3152 1 7 . 1 1 18 18 ASN N N 18 120.666 120.666 119.115 1.551 19792 3153 1 7 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.736 -0.350 19792 3154 1 7 . 1 1 18 18 ASN C C 18 176.199 176.199 176.551 -0.352 19792 3155 1 7 . 1 1 18 18 ASN CA C 18 50.302 50.302 52.909 -2.607 19792 3156 1 7 . 1 1 18 18 ASN CB C 18 35.692 35.692 40.411 -4.719 19792 3157 1 7 . 1 1 18 18 ASN H H 18 9.528 9.528 8.518 1.010 19792 3158 1 7 . 1 1 19 19 THR N N 19 123.230 123.230 112.263 10.967 19792 3159 1 7 . 1 1 19 19 THR HA H 19 3.699 3.699 4.116 -0.417 19792 3160 1 7 . 1 1 19 19 THR C C 19 172.195 172.195 175.294 -3.099 19792 3161 1 7 . 1 1 19 19 THR CA C 19 62.512 62.512 64.812 -2.300 19792 3162 1 7 . 1 1 19 19 THR CB C 19 65.438 65.438 69.004 -3.566 19792 3163 1 7 . 1 1 19 19 THR H H 19 8.809 8.809 8.450 0.359 19792 3164 1 7 . 1 1 20 20 GLU N N 20 118.055 118.055 119.865 -1.810 19792 3165 1 7 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.540 -0.364 19792 3166 1 7 . 1 1 20 20 GLU C C 20 174.826 174.826 176.135 -1.309 19792 3167 1 7 . 1 1 20 20 GLU CA C 20 53.181 53.181 54.950 -1.769 19792 3168 1 7 . 1 1 20 20 GLU CB C 20 27.076 27.076 30.238 -3.162 19792 3169 1 7 . 1 1 20 20 GLU H H 20 8.703 8.703 8.259 0.444 19792 3170 1 7 . 1 1 21 21 THR N N 21 119.209 119.209 117.089 2.120 19792 3171 1 7 . 1 1 21 21 THR HA H 21 3.930 3.930 4.426 -0.496 19792 3172 1 7 . 1 1 21 21 THR C C 21 171.688 171.688 173.368 -1.680 19792 3173 1 7 . 1 1 21 21 THR CA C 21 61.882 61.882 63.289 -1.407 19792 3174 1 7 . 1 1 21 21 THR CB C 21 65.397 65.397 69.719 -4.322 19792 3175 1 7 . 1 1 21 21 THR H H 21 7.514 7.514 7.749 -0.235 19792 3176 1 7 . 1 1 22 22 ASN N N 22 126.624 126.624 120.133 6.491 19792 3177 1 7 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.881 -0.112 19792 3178 1 7 . 1 1 22 22 ASN C C 22 172.032 172.032 175.856 -3.824 19792 3179 1 7 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.167 -4.461 19792 3180 1 7 . 1 1 22 22 ASN CB C 22 37.373 37.373 41.394 -4.021 19792 3181 1 7 . 1 1 22 22 ASN H H 22 8.031 8.031 8.177 -0.146 19792 3182 1 7 . 1 1 23 23 GLU N N 23 118.056 118.056 121.886 -3.830 19792 3183 1 7 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.936 -0.369 19792 3184 1 7 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.594 -1.810 19792 3185 1 7 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.503 -3.641 19792 3186 1 7 . 1 1 23 23 GLU H H 23 10.151 10.151 8.771 1.380 19792 3187 1 7 . 1 1 24 24 LYS N N 24 118.897 118.897 117.521 1.376 19792 3188 1 7 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.397 -0.392 19792 3189 1 7 . 1 1 24 24 LYS C C 24 176.843 176.843 178.301 -1.458 19792 3190 1 7 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.843 -3.112 19792 3191 1 7 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.888 -2.517 19792 3192 1 7 . 1 1 24 24 LYS H H 24 7.839 7.839 8.356 -0.517 19792 3193 1 7 . 1 1 25 25 ALA N N 25 123.210 123.210 122.142 1.068 19792 3194 1 7 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.208 -0.039 19792 3195 1 7 . 1 1 25 25 ALA C C 25 178.048 178.048 179.216 -1.168 19792 3196 1 7 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.120 -2.252 19792 3197 1 7 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.877 -2.738 19792 3198 1 7 . 1 1 25 25 ALA H H 25 7.827 7.827 7.706 0.121 19792 3199 1 7 . 1 1 26 26 LEU N N 26 116.466 116.466 119.263 -2.797 19792 3200 1 7 . 1 1 26 26 LEU HA H 26 4.024 4.024 3.951 0.073 19792 3201 1 7 . 1 1 26 26 LEU C C 26 176.375 176.375 179.014 -2.639 19792 3202 1 7 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.504 -2.546 19792 3203 1 7 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.026 -1.325 19792 3204 1 7 . 1 1 26 26 LEU H H 26 7.652 7.652 7.916 -0.264 19792 3205 1 7 . 1 1 27 27 GLU N N 27 119.789 119.789 119.180 0.609 19792 3206 1 7 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.914 -0.323 19792 3207 1 7 . 1 1 27 27 GLU C C 27 176.206 176.206 178.578 -2.372 19792 3208 1 7 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.919 -2.848 19792 3209 1 7 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.184 -2.117 19792 3210 1 7 . 1 1 27 27 GLU H H 27 8.480 8.480 8.448 0.032 19792 3211 1 7 . 1 1 28 28 ALA N N 28 120.599 120.599 118.699 1.900 19792 3212 1 7 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.214 -0.175 19792 3213 1 7 . 1 1 28 28 ALA C C 28 177.506 177.506 178.504 -0.998 19792 3214 1 7 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.022 -2.115 19792 3215 1 7 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.528 -3.121 19792 3216 1 7 . 1 1 28 28 ALA H H 28 7.837 7.837 7.777 0.060 19792 3217 1 7 . 1 1 29 29 VAL N N 29 115.536 115.536 116.760 -1.224 19792 3218 1 7 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.684 0.142 19792 3219 1 7 . 1 1 29 29 VAL C C 29 174.998 174.998 176.423 -1.425 19792 3220 1 7 . 1 1 29 29 VAL CA C 29 61.999 61.999 65.139 -3.140 19792 3221 1 7 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.874 -1.996 19792 3222 1 7 . 1 1 29 29 VAL H H 29 7.626 7.626 7.415 0.211 19792 3223 1 7 . 1 1 30 30 PHE N N 30 115.465 115.465 114.711 0.754 19792 3224 1 7 . 1 1 30 30 PHE HA H 30 4.482 4.482 4.972 -0.490 19792 3225 1 7 . 1 1 30 30 PHE C C 30 174.725 174.725 177.613 -2.888 19792 3226 1 7 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.314 1.314 19792 3227 1 7 . 1 1 30 30 PHE CB C 30 35.394 35.394 40.434 -5.040 19792 3228 1 7 . 1 1 30 30 PHE H H 30 8.514 8.514 7.864 0.650 19792 3229 1 7 . 1 1 31 31 GLY N N 31 108.299 108.299 109.321 -1.022 19792 3230 1 7 . 1 1 31 31 GLY C C 31 172.455 172.455 174.561 -2.106 19792 3231 1 7 . 1 1 31 31 GLY CA C 31 43.505 43.505 46.441 -2.936 19792 3232 1 7 . 1 1 31 31 GLY H H 31 8.294 8.294 8.576 -0.282 19792 3233 1 7 . 1 1 32 32 LYS N N 32 117.309 117.309 117.153 0.156 19792 3234 1 7 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.122 -0.196 19792 3235 1 7 . 1 1 32 32 LYS C C 32 174.779 174.779 176.211 -1.432 19792 3236 1 7 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.075 -2.375 19792 3237 1 7 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.044 -2.109 19792 3238 1 7 . 1 1 32 32 LYS H H 32 6.846 6.846 7.959 -1.113 19792 3239 1 7 . 1 1 33 33 TYR N N 33 115.635 115.635 118.037 -2.402 19792 3240 1 7 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.675 -0.558 19792 3241 1 7 . 1 1 33 33 TYR C C 33 171.935 171.935 175.992 -4.057 19792 3242 1 7 . 1 1 33 33 TYR CA C 33 56.609 56.609 57.926 -1.317 19792 3243 1 7 . 1 1 33 33 TYR CB C 33 35.735 35.735 40.583 -4.848 19792 3244 1 7 . 1 1 33 33 TYR H H 33 7.593 7.593 7.852 -0.259 19792 3245 1 7 . 1 1 34 34 GLY N N 34 104.503 104.503 107.245 -2.742 19792 3246 1 7 . 1 1 34 34 GLY C C 34 168.962 168.962 172.443 -3.481 19792 3247 1 7 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.236 -3.673 19792 3248 1 7 . 1 1 34 34 GLY H H 34 7.253 7.253 7.474 -0.221 19792 3249 1 7 . 1 1 35 35 ARG N N 35 116.679 116.679 121.996 -5.317 19792 3250 1 7 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.559 -0.444 19792 3251 1 7 . 1 1 35 35 ARG C C 35 174.272 174.272 175.810 -1.538 19792 3252 1 7 . 1 1 35 35 ARG CA C 35 54.785 54.785 55.282 -0.497 19792 3253 1 7 . 1 1 35 35 ARG CB C 35 27.958 27.958 30.015 -2.057 19792 3254 1 7 . 1 1 35 35 ARG H H 35 8.196 8.196 8.529 -0.333 19792 3255 1 7 . 1 1 36 36 ILE N N 36 128.885 128.885 125.866 3.019 19792 3256 1 7 . 1 1 36 36 ILE HA H 36 3.827 3.827 3.736 0.091 19792 3257 1 7 . 1 1 36 36 ILE C C 36 173.725 173.725 175.774 -2.049 19792 3258 1 7 . 1 1 36 36 ILE CA C 36 57.740 57.740 63.433 -5.693 19792 3259 1 7 . 1 1 36 36 ILE CB C 36 37.006 37.006 38.226 -1.220 19792 3260 1 7 . 1 1 36 36 ILE H H 36 8.760 8.760 8.501 0.259 19792 3261 1 7 . 1 1 37 37 VAL N N 37 122.612 122.612 122.052 0.560 19792 3262 1 7 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.301 -0.218 19792 3263 1 7 . 1 1 37 37 VAL C C 37 172.917 172.917 174.853 -1.936 19792 3264 1 7 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.504 -2.158 19792 3265 1 7 . 1 1 37 37 VAL CB C 37 30.375 30.375 34.265 -3.890 19792 3266 1 7 . 1 1 37 37 VAL H H 37 8.751 8.751 8.121 0.630 19792 3267 1 7 . 1 1 38 38 GLU N N 38 118.683 118.683 120.155 -1.472 19792 3268 1 7 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.475 -0.107 19792 3269 1 7 . 1 1 38 38 GLU C C 38 170.647 170.647 173.937 -3.290 19792 3270 1 7 . 1 1 38 38 GLU CA C 38 53.636 53.636 55.743 -2.107 19792 3271 1 7 . 1 1 38 38 GLU CB C 38 31.112 31.112 33.130 -2.018 19792 3272 1 7 . 1 1 38 38 GLU H H 38 7.075 7.075 7.734 -0.659 19792 3273 1 7 . 1 1 39 39 VAL N N 39 125.880 125.880 124.109 1.771 19792 3274 1 7 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.095 0.224 19792 3275 1 7 . 1 1 39 39 VAL C C 39 170.693 170.693 174.537 -3.844 19792 3276 1 7 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.017 -1.961 19792 3277 1 7 . 1 1 39 39 VAL CB C 39 31.077 31.077 31.293 -0.216 19792 3278 1 7 . 1 1 39 39 VAL H H 39 8.509 8.509 8.599 -0.090 19792 3279 1 7 . 1 1 40 40 LEU N N 40 129.331 129.331 126.899 2.432 19792 3280 1 7 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.348 0.327 19792 3281 1 7 . 1 1 40 40 LEU C C 40 171.627 171.627 174.603 -2.976 19792 3282 1 7 . 1 1 40 40 LEU CA C 40 50.744 50.744 54.237 -3.493 19792 3283 1 7 . 1 1 40 40 LEU CB C 40 42.066 42.066 42.072 -0.006 19792 3284 1 7 . 1 1 40 40 LEU H H 40 8.928 8.928 7.887 1.041 19792 3285 1 7 . 1 1 41 41 LEU N N 41 128.574 128.574 126.553 2.021 19792 3286 1 7 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.525 -0.185 19792 3287 1 7 . 1 1 41 41 LEU C C 41 172.935 172.935 175.410 -2.475 19792 3288 1 7 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.069 -3.193 19792 3289 1 7 . 1 1 41 41 LEU CB C 41 41.547 41.547 44.420 -2.873 19792 3290 1 7 . 1 1 41 41 LEU H H 41 9.023 9.023 7.952 1.071 19792 3291 1 7 . 1 1 42 42 MET N N 42 125.617 125.617 125.938 -0.321 19792 3292 1 7 . 1 1 42 42 MET HA H 42 4.357 4.357 4.643 -0.286 19792 3293 1 7 . 1 1 42 42 MET C C 42 172.606 172.606 175.124 -2.518 19792 3294 1 7 . 1 1 42 42 MET CA C 42 51.857 51.857 53.214 -1.357 19792 3295 1 7 . 1 1 42 42 MET CB C 42 27.700 27.700 31.281 -3.581 19792 3296 1 7 . 1 1 42 42 MET H H 42 7.988 7.988 8.410 -0.422 19792 3297 1 7 . 1 1 43 43 LYS N N 43 121.956 121.956 124.075 -2.119 19792 3298 1 7 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.764 -0.005 19792 3299 1 7 . 1 1 43 43 LYS C C 43 173.591 173.591 175.888 -2.297 19792 3300 1 7 . 1 1 43 43 LYS CA C 43 51.608 51.608 55.295 -3.687 19792 3301 1 7 . 1 1 43 43 LYS CB C 43 33.447 33.447 34.527 -1.080 19792 3302 1 7 . 1 1 43 43 LYS H H 43 8.289 8.289 8.504 -0.215 19792 3303 1 7 . 1 1 44 44 ASP N N 44 123.608 123.608 122.771 0.837 19792 3304 1 7 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.632 -0.161 19792 3305 1 7 . 1 1 44 44 ASP C C 44 174.790 174.790 176.352 -1.562 19792 3306 1 7 . 1 1 44 44 ASP CA C 44 51.279 51.279 54.579 -3.300 19792 3307 1 7 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.331 -2.154 19792 3308 1 7 . 1 1 44 44 ASP H H 44 8.693 8.693 8.873 -0.180 19792 3309 1 7 . 1 1 45 45 ARG N N 45 126.884 126.884 118.973 7.911 19792 3310 1 7 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.368 -0.392 19792 3311 1 7 . 1 1 45 45 ARG C C 45 174.578 174.578 177.259 -2.681 19792 3312 1 7 . 1 1 45 45 ARG CA C 45 55.637 55.637 57.005 -1.368 19792 3313 1 7 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.622 -3.078 19792 3314 1 7 . 1 1 45 45 ARG H H 45 8.875 8.875 8.677 0.198 19792 3315 1 7 . 1 1 46 46 GLU N N 46 117.313 117.313 120.131 -2.818 19792 3316 1 7 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.199 -0.017 19792 3317 1 7 . 1 1 46 46 GLU C C 46 175.625 175.625 177.360 -1.735 19792 3318 1 7 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.322 -2.694 19792 3319 1 7 . 1 1 46 46 GLU CB C 46 27.597 27.597 29.734 -2.137 19792 3320 1 7 . 1 1 46 46 GLU H H 46 8.561 8.561 8.210 0.351 19792 3321 1 7 . 1 1 47 47 THR N N 47 107.019 107.019 111.682 -4.663 19792 3322 1 7 . 1 1 47 47 THR HA H 47 4.277 4.277 4.472 -0.195 19792 3323 1 7 . 1 1 47 47 THR C C 47 173.242 173.242 173.223 0.019 19792 3324 1 7 . 1 1 47 47 THR CA C 47 58.709 58.709 61.539 -2.830 19792 3325 1 7 . 1 1 47 47 THR CB C 47 67.971 67.971 68.183 -0.212 19792 3326 1 7 . 1 1 47 47 THR H H 47 8.053 8.053 7.815 0.238 19792 3327 1 7 . 1 1 48 48 ASN N N 48 117.468 117.468 116.331 1.137 19792 3328 1 7 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.265 0.070 19792 3329 1 7 . 1 1 48 48 ASN C C 48 171.106 171.106 174.117 -3.011 19792 3330 1 7 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.551 -2.421 19792 3331 1 7 . 1 1 48 48 ASN CB C 48 35.645 35.645 38.006 -2.361 19792 3332 1 7 . 1 1 48 48 ASN H H 48 8.230 8.230 8.551 -0.321 19792 3333 1 7 . 1 1 49 49 LYS N N 49 117.523 117.523 116.217 1.306 19792 3334 1 7 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.450 -0.154 19792 3335 1 7 . 1 1 49 49 LYS C C 49 173.910 173.910 177.304 -3.394 19792 3336 1 7 . 1 1 49 49 LYS CA C 49 52.763 52.763 55.908 -3.145 19792 3337 1 7 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.342 -2.303 19792 3338 1 7 . 1 1 49 49 LYS H H 49 7.517 7.517 7.665 -0.148 19792 3339 1 7 . 1 1 50 50 SER N N 50 115.960 115.960 114.778 1.182 19792 3340 1 7 . 1 1 50 50 SER HA H 50 4.197 4.197 4.575 -0.378 19792 3341 1 7 . 1 1 50 50 SER C C 50 173.417 173.417 175.607 -2.190 19792 3342 1 7 . 1 1 50 50 SER CA C 50 55.614 55.614 58.384 -2.770 19792 3343 1 7 . 1 1 50 50 SER CB C 50 61.524 61.524 64.100 -2.576 19792 3344 1 7 . 1 1 50 50 SER H H 50 8.705 8.705 8.246 0.459 19792 3345 1 7 . 1 1 51 51 ARG N N 51 124.058 124.058 124.687 -0.629 19792 3346 1 7 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.405 -0.097 19792 3347 1 7 . 1 1 51 51 ARG C C 51 174.657 174.657 177.256 -2.599 19792 3348 1 7 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.807 -2.414 19792 3349 1 7 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.311 -1.532 19792 3350 1 7 . 1 1 51 51 ARG H H 51 9.023 9.023 8.461 0.562 19792 3351 1 7 . 1 1 52 52 GLY N N 52 106.703 106.703 107.650 -0.947 19792 3352 1 7 . 1 1 52 52 GLY C C 52 168.863 168.863 173.120 -4.257 19792 3353 1 7 . 1 1 52 52 GLY CA C 52 42.919 42.919 46.035 -3.116 19792 3354 1 7 . 1 1 52 52 GLY H H 52 9.129 9.129 8.706 0.423 19792 3355 1 7 . 1 1 53 53 PHE N N 53 112.307 112.307 117.170 -4.863 19792 3356 1 7 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.580 -0.337 19792 3357 1 7 . 1 1 53 53 PHE C C 53 169.552 169.552 172.767 -3.215 19792 3358 1 7 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.050 -1.955 19792 3359 1 7 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.708 -2.794 19792 3360 1 7 . 1 1 53 53 PHE H H 53 6.845 6.845 7.484 -0.639 19792 3361 1 7 . 1 1 54 54 ALA N N 54 120.987 120.987 120.453 0.534 19792 3362 1 7 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.081 0.813 19792 3363 1 7 . 1 1 54 54 ALA C C 54 171.062 171.062 174.262 -3.200 19792 3364 1 7 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.389 -4.340 19792 3365 1 7 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.059 0.767 19792 3366 1 7 . 1 1 54 54 ALA H H 54 8.970 8.970 8.538 0.432 19792 3367 1 7 . 1 1 55 55 PHE N N 55 114.157 114.157 118.790 -4.633 19792 3368 1 7 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.777 0.991 19792 3369 1 7 . 1 1 55 55 PHE C C 55 173.605 173.605 172.888 0.717 19792 3370 1 7 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.808 -3.728 19792 3371 1 7 . 1 1 55 55 PHE CB C 55 40.029 40.029 42.682 -2.653 19792 3372 1 7 . 1 1 55 55 PHE H H 55 8.837 8.837 8.196 0.641 19792 3373 1 7 . 1 1 56 56 VAL N N 56 123.812 123.812 123.199 0.613 19792 3374 1 7 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.096 0.378 19792 3375 1 7 . 1 1 56 56 VAL C C 56 171.401 171.401 174.037 -2.636 19792 3376 1 7 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.289 -2.441 19792 3377 1 7 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.477 -2.950 19792 3378 1 7 . 1 1 56 56 VAL H H 56 8.558 8.558 7.953 0.605 19792 3379 1 7 . 1 1 57 57 THR N N 57 123.000 123.000 118.158 4.842 19792 3380 1 7 . 1 1 57 57 THR HA H 57 4.974 4.974 5.029 -0.055 19792 3381 1 7 . 1 1 57 57 THR C C 57 171.340 171.340 173.117 -1.777 19792 3382 1 7 . 1 1 57 57 THR CA C 57 58.659 58.659 60.568 -1.909 19792 3383 1 7 . 1 1 57 57 THR CB C 57 66.662 66.662 71.452 -4.790 19792 3384 1 7 . 1 1 57 57 THR H H 57 8.808 8.808 8.235 0.573 19792 3385 1 7 . 1 1 58 58 PHE N N 58 128.385 128.385 122.738 5.647 19792 3386 1 7 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.700 -0.017 19792 3387 1 7 . 1 1 58 58 PHE C C 58 172.367 172.367 175.241 -2.874 19792 3388 1 7 . 1 1 58 58 PHE CA C 58 55.449 55.449 56.880 -1.431 19792 3389 1 7 . 1 1 58 58 PHE CB C 58 37.909 37.909 41.255 -3.346 19792 3390 1 7 . 1 1 58 58 PHE H H 58 8.835 8.835 8.527 0.308 19792 3391 1 7 . 1 1 59 59 GLU N N 59 121.627 121.627 122.362 -0.735 19792 3392 1 7 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.161 -0.395 19792 3393 1 7 . 1 1 59 59 GLU C C 59 173.666 173.666 175.986 -2.320 19792 3394 1 7 . 1 1 59 59 GLU CA C 59 56.293 56.293 58.609 -2.316 19792 3395 1 7 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.281 -2.494 19792 3396 1 7 . 1 1 59 59 GLU H H 59 8.067 8.067 8.490 -0.423 19792 3397 1 7 . 1 1 60 60 SER N N 60 112.302 112.302 112.587 -0.285 19792 3398 1 7 . 1 1 60 60 SER HA H 60 5.163 5.163 4.889 0.274 19792 3399 1 7 . 1 1 60 60 SER CA C 60 50.137 50.137 55.531 -5.394 19792 3400 1 7 . 1 1 60 60 SER CB C 60 61.350 61.350 64.637 -3.287 19792 3401 1 7 . 1 1 60 60 SER H H 60 9.333 9.333 7.617 1.716 19792 3402 1 7 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.404 -0.406 19792 3403 1 7 . 1 1 61 61 PRO CA C 61 61.850 61.850 64.892 -3.042 19792 3404 1 7 . 1 1 61 61 PRO CB C 61 29.391 29.391 31.892 -2.501 19792 3405 1 7 . 1 1 62 62 ALA N N 62 121.088 121.088 120.640 0.448 19792 3406 1 7 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.070 -0.138 19792 3407 1 7 . 1 1 62 62 ALA C C 62 176.826 176.826 178.616 -1.790 19792 3408 1 7 . 1 1 62 62 ALA CA C 62 52.266 52.266 54.431 -2.165 19792 3409 1 7 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.222 -2.604 19792 3410 1 7 . 1 1 62 62 ALA H H 62 7.821 7.821 8.170 -0.349 19792 3411 1 7 . 1 1 63 63 ASP N N 63 120.099 120.099 115.738 4.361 19792 3412 1 7 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.529 -0.437 19792 3413 1 7 . 1 1 63 63 ASP C C 63 174.505 174.505 175.251 -0.746 19792 3414 1 7 . 1 1 63 63 ASP CA C 63 53.809 53.809 54.038 -0.229 19792 3415 1 7 . 1 1 63 63 ASP CB C 63 37.374 37.374 41.264 -3.890 19792 3416 1 7 . 1 1 63 63 ASP H H 63 6.960 6.960 7.960 -1.000 19792 3417 1 7 . 1 1 64 64 ALA N N 64 119.533 119.533 120.206 -0.673 19792 3418 1 7 . 1 1 64 64 ALA HA H 64 3.141 3.141 4.081 -0.940 19792 3419 1 7 . 1 1 64 64 ALA C C 64 176.037 176.037 177.281 -1.244 19792 3420 1 7 . 1 1 64 64 ALA CA C 64 51.399 51.399 51.990 -0.591 19792 3421 1 7 . 1 1 64 64 ALA CB C 64 15.565 15.565 19.496 -3.931 19792 3422 1 7 . 1 1 64 64 ALA H H 64 6.771 6.771 7.347 -0.576 19792 3423 1 7 . 1 1 65 65 LYS N N 65 117.395 117.395 116.867 0.528 19792 3424 1 7 . 1 1 65 65 LYS HA H 65 3.727 3.727 4.207 -0.480 19792 3425 1 7 . 1 1 65 65 LYS C C 65 176.716 176.716 177.638 -0.922 19792 3426 1 7 . 1 1 65 65 LYS CA C 65 56.684 56.684 57.823 -1.139 19792 3427 1 7 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.785 -3.602 19792 3428 1 7 . 1 1 65 65 LYS H H 65 7.478 7.478 7.469 0.009 19792 3429 1 7 . 1 1 66 66 ASP N N 66 120.839 120.839 120.648 0.191 19792 3430 1 7 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.469 -0.286 19792 3431 1 7 . 1 1 66 66 ASP C C 66 175.111 175.111 177.684 -2.573 19792 3432 1 7 . 1 1 66 66 ASP CA C 66 54.430 54.430 57.100 -2.670 19792 3433 1 7 . 1 1 66 66 ASP CB C 66 37.720 37.720 41.097 -3.377 19792 3434 1 7 . 1 1 66 66 ASP H H 66 7.403 7.403 7.807 -0.404 19792 3435 1 7 . 1 1 67 67 ALA N N 67 122.056 122.056 121.182 0.874 19792 3436 1 7 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.191 -1.031 19792 3437 1 7 . 1 1 67 67 ALA C C 67 176.448 176.448 178.187 -1.739 19792 3438 1 7 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.298 -2.999 19792 3439 1 7 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.018 -0.765 19792 3440 1 7 . 1 1 67 67 ALA H H 67 7.737 7.737 7.929 -0.192 19792 3441 1 7 . 1 1 68 68 ALA N N 68 118.624 118.624 116.927 1.697 19792 3442 1 7 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.232 -0.533 19792 3443 1 7 . 1 1 68 68 ALA C C 68 176.619 176.619 177.441 -0.822 19792 3444 1 7 . 1 1 68 68 ALA CA C 68 52.280 52.280 52.901 -0.621 19792 3445 1 7 . 1 1 68 68 ALA CB C 68 14.849 14.849 19.053 -4.204 19792 3446 1 7 . 1 1 68 68 ALA H H 68 8.108 8.108 7.127 0.981 19792 3447 1 7 . 1 1 69 69 ARG N N 69 116.265 116.265 115.985 0.280 19792 3448 1 7 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.455 -0.523 19792 3449 1 7 . 1 1 69 69 ARG C C 69 175.857 175.857 175.370 0.487 19792 3450 1 7 . 1 1 69 69 ARG CA C 69 55.734 55.734 56.401 -0.667 19792 3451 1 7 . 1 1 69 69 ARG CB C 69 27.249 27.249 31.207 -3.958 19792 3452 1 7 . 1 1 69 69 ARG H H 69 7.599 7.599 7.805 -0.206 19792 3453 1 7 . 1 1 70 70 ASP N N 70 116.202 116.202 119.453 -3.251 19792 3454 1 7 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.780 -0.225 19792 3455 1 7 . 1 1 70 70 ASP C C 70 174.867 174.867 176.113 -1.246 19792 3456 1 7 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.213 -1.899 19792 3457 1 7 . 1 1 70 70 ASP CB C 70 39.839 39.839 42.249 -2.410 19792 3458 1 7 . 1 1 70 70 ASP H H 70 7.657 7.657 8.041 -0.384 19792 3459 1 7 . 1 1 71 71 MET N N 71 111.561 111.561 118.554 -6.993 19792 3460 1 7 . 1 1 71 71 MET HA H 71 4.742 4.742 4.614 0.128 19792 3461 1 7 . 1 1 71 71 MET C C 71 175.174 175.174 175.397 -0.223 19792 3462 1 7 . 1 1 71 71 MET CA C 71 50.378 50.378 55.671 -5.293 19792 3463 1 7 . 1 1 71 71 MET CB C 71 29.047 29.047 34.310 -5.263 19792 3464 1 7 . 1 1 71 71 MET H H 71 8.069 8.069 7.488 0.581 19792 3465 1 7 . 1 1 72 72 ASN N N 72 116.196 116.196 118.659 -2.463 19792 3466 1 7 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.600 -0.319 19792 3467 1 7 . 1 1 72 72 ASN C C 72 173.812 173.812 175.860 -2.048 19792 3468 1 7 . 1 1 72 72 ASN CA C 72 53.826 53.826 55.270 -1.444 19792 3469 1 7 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.981 -3.096 19792 3470 1 7 . 1 1 72 72 ASN H H 72 7.442 7.442 8.170 -0.728 19792 3471 1 7 . 1 1 73 73 GLY N N 73 116.956 116.956 113.029 3.927 19792 3472 1 7 . 1 1 73 73 GLY C C 73 171.629 171.629 174.597 -2.968 19792 3473 1 7 . 1 1 73 73 GLY CA C 73 43.091 43.091 45.451 -2.360 19792 3474 1 7 . 1 1 73 73 GLY H H 73 8.884 8.884 8.746 0.138 19792 3475 1 7 . 1 1 74 74 LYS N N 74 120.829 120.829 120.803 0.026 19792 3476 1 7 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.407 -0.167 19792 3477 1 7 . 1 1 74 74 LYS C C 74 172.132 172.132 176.607 -4.475 19792 3478 1 7 . 1 1 74 74 LYS CA C 74 52.333 52.333 56.320 -3.987 19792 3479 1 7 . 1 1 74 74 LYS CB C 74 30.131 30.131 33.671 -3.540 19792 3480 1 7 . 1 1 74 74 LYS H H 74 7.797 7.797 7.342 0.455 19792 3481 1 7 . 1 1 75 75 SER N N 75 112.883 112.883 115.944 -3.061 19792 3482 1 7 . 1 1 75 75 SER HA H 75 4.940 4.940 4.904 0.036 19792 3483 1 7 . 1 1 75 75 SER C C 75 171.838 171.838 174.207 -2.369 19792 3484 1 7 . 1 1 75 75 SER CA C 75 54.722 54.722 57.928 -3.206 19792 3485 1 7 . 1 1 75 75 SER CB C 75 61.242 61.242 64.088 -2.846 19792 3486 1 7 . 1 1 75 75 SER H H 75 8.037 8.037 8.466 -0.429 19792 3487 1 7 . 1 1 76 76 LEU N N 76 127.669 127.669 124.505 3.164 19792 3488 1 7 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.606 -0.170 19792 3489 1 7 . 1 1 76 76 LEU C C 76 173.849 173.849 175.488 -1.639 19792 3490 1 7 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.519 -3.744 19792 3491 1 7 . 1 1 76 76 LEU CB C 76 41.886 41.886 43.977 -2.091 19792 3492 1 7 . 1 1 76 76 LEU H H 76 8.988 8.988 8.205 0.783 19792 3493 1 7 . 1 1 77 77 ASP N N 77 129.054 129.054 127.532 1.522 19792 3494 1 7 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.303 -0.129 19792 3495 1 7 . 1 1 77 77 ASP C C 77 173.415 173.415 176.221 -2.806 19792 3496 1 7 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.235 -2.359 19792 3497 1 7 . 1 1 77 77 ASP CB C 77 36.413 36.413 39.983 -3.570 19792 3498 1 7 . 1 1 77 77 ASP H H 77 9.523 9.523 9.130 0.393 19792 3499 1 7 . 1 1 78 78 GLY N N 78 101.915 101.915 103.835 -1.920 19792 3500 1 7 . 1 1 78 78 GLY C C 78 170.989 170.989 174.136 -3.147 19792 3501 1 7 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.070 -2.301 19792 3502 1 7 . 1 1 78 78 GLY H H 78 8.396 8.396 8.095 0.301 19792 3503 1 7 . 1 1 79 79 LYS N N 79 119.791 119.791 122.616 -2.825 19792 3504 1 7 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.526 0.020 19792 3505 1 7 . 1 1 79 79 LYS C C 79 171.513 171.513 175.357 -3.844 19792 3506 1 7 . 1 1 79 79 LYS CA C 79 50.277 50.277 54.478 -4.201 19792 3507 1 7 . 1 1 79 79 LYS CB C 79 31.955 31.955 32.979 -1.024 19792 3508 1 7 . 1 1 79 79 LYS H H 79 7.269 7.269 7.893 -0.624 19792 3509 1 7 . 1 1 80 80 ALA N N 80 125.002 125.002 129.130 -4.128 19792 3510 1 7 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.652 -0.287 19792 3511 1 7 . 1 1 80 80 ALA C C 80 175.007 175.007 177.714 -2.707 19792 3512 1 7 . 1 1 80 80 ALA CA C 80 48.381 48.381 51.336 -2.955 19792 3513 1 7 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.342 -3.127 19792 3514 1 7 . 1 1 80 80 ALA H H 80 8.235 8.235 8.680 -0.445 19792 3515 1 7 . 1 1 81 81 ILE N N 81 119.947 119.947 120.960 -1.013 19792 3516 1 7 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.368 0.246 19792 3517 1 7 . 1 1 81 81 ILE C C 81 172.389 172.389 174.317 -1.928 19792 3518 1 7 . 1 1 81 81 ILE CA C 81 57.921 57.921 61.290 -3.369 19792 3519 1 7 . 1 1 81 81 ILE CB C 81 37.547 37.547 39.336 -1.789 19792 3520 1 7 . 1 1 81 81 ILE H H 81 8.204 8.204 8.146 0.058 19792 3521 1 7 . 1 1 82 82 LYS N N 82 123.700 123.700 121.716 1.984 19792 3522 1 7 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.643 0.203 19792 3523 1 7 . 1 1 82 82 LYS C C 82 172.571 172.571 174.553 -1.982 19792 3524 1 7 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.856 -4.515 19792 3525 1 7 . 1 1 82 82 LYS CB C 82 31.948 31.948 35.138 -3.190 19792 3526 1 7 . 1 1 82 82 LYS H H 82 8.460 8.460 8.492 -0.032 19792 3527 1 7 . 1 1 83 83 VAL N N 83 123.707 123.707 126.072 -2.365 19792 3528 1 7 . 1 1 83 83 VAL HA H 83 5.068 5.068 5.122 -0.054 19792 3529 1 7 . 1 1 83 83 VAL C C 83 171.831 171.831 174.952 -3.121 19792 3530 1 7 . 1 1 83 83 VAL CA C 83 57.954 57.954 60.673 -2.719 19792 3531 1 7 . 1 1 83 83 VAL CB C 83 31.979 31.979 32.417 -0.438 19792 3532 1 7 . 1 1 83 83 VAL H H 83 8.653 8.653 8.589 0.064 19792 3533 1 7 . 1 1 84 84 GLU N N 84 123.150 123.150 125.492 -2.342 19792 3534 1 7 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.821 -0.137 19792 3535 1 7 . 1 1 84 84 GLU C C 84 172.141 172.141 175.218 -3.077 19792 3536 1 7 . 1 1 84 84 GLU CA C 84 51.305 51.305 53.456 -2.151 19792 3537 1 7 . 1 1 84 84 GLU CB C 84 31.690 31.690 33.258 -1.567 19792 3538 1 7 . 1 1 84 84 GLU H H 84 8.977 8.977 9.068 -0.091 19792 3539 1 7 . 1 1 85 85 GLN N N 85 121.740 121.740 118.167 3.573 19792 3540 1 7 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.684 -0.435 19792 3541 1 7 . 1 1 85 85 GLN C C 85 173.263 173.263 175.741 -2.478 19792 3542 1 7 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.425 -0.168 19792 3543 1 7 . 1 1 85 85 GLN CB C 85 26.519 26.519 29.502 -2.983 19792 3544 1 7 . 1 1 85 85 GLN H H 85 8.835 8.835 8.558 0.277 19792 3545 1 7 . 1 1 86 86 ALA N N 86 127.885 127.885 129.792 -1.907 19792 3546 1 7 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.408 0.026 19792 3547 1 7 . 1 1 86 86 ALA C C 86 174.487 174.487 176.668 -2.181 19792 3548 1 7 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.239 -2.223 19792 3549 1 7 . 1 1 86 86 ALA CB C 86 16.340 16.340 17.315 -0.975 19792 3550 1 7 . 1 1 86 86 ALA H H 86 8.608 8.608 8.707 -0.099 19792 3551 1 7 . 1 1 87 87 THR N N 87 113.372 113.372 115.142 -1.770 19792 3552 1 7 . 1 1 87 87 THR HA H 87 4.339 4.339 4.592 -0.253 19792 3553 1 7 . 1 1 87 87 THR C C 87 171.331 171.331 173.184 -1.853 19792 3554 1 7 . 1 1 87 87 THR CA C 87 58.219 58.219 60.887 -2.668 19792 3555 1 7 . 1 1 87 87 THR CB C 87 67.397 67.397 71.379 -3.982 19792 3556 1 7 . 1 1 87 87 THR H H 87 8.271 8.271 8.001 0.270 19792 3557 1 7 . 1 1 88 88 LYS N N 88 123.502 123.502 120.289 3.213 19792 3558 1 7 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.757 -0.284 19792 3559 1 7 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.648 -2.037 19792 3560 1 7 . 1 1 88 88 LYS CB C 88 29.867 29.867 31.799 -1.932 19792 3561 1 7 . 1 1 88 88 LYS H H 88 8.203 8.203 8.158 0.045 19792 3562 1 7 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.469 -0.275 19792 3563 1 7 . 1 1 89 89 PRO C C 89 173.726 173.726 176.617 -2.891 19792 3564 1 7 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.919 -3.849 19792 3565 1 7 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.206 -2.891 19792 3566 1 7 . 1 1 90 90 SER N N 90 115.260 115.260 112.942 2.318 19792 3567 1 7 . 1 1 90 90 SER HA H 90 4.229 4.229 4.877 -0.648 19792 3568 1 7 . 1 1 90 90 SER C C 90 171.123 171.123 172.859 -1.736 19792 3569 1 7 . 1 1 90 90 SER CA C 90 55.017 55.017 57.849 -2.833 19792 3570 1 7 . 1 1 90 90 SER CB C 90 60.977 60.977 66.667 -5.690 19792 3571 1 7 . 1 1 90 90 SER H H 90 7.991 7.991 8.041 -0.050 19792 3572 1 7 . 1 1 91 91 PHE N N 91 121.128 121.128 120.382 0.746 19792 3573 1 7 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.739 -0.212 19792 3574 1 7 . 1 1 91 91 PHE C C 91 171.798 171.798 174.703 -2.905 19792 3575 1 7 . 1 1 91 91 PHE CA C 91 54.467 54.467 57.882 -3.415 19792 3576 1 7 . 1 1 91 91 PHE CB C 91 37.008 37.008 41.339 -4.331 19792 3577 1 7 . 1 1 91 91 PHE H H 91 8.004 8.004 8.794 -0.790 19792 3578 1 8 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.885 -0.289 19792 3579 1 8 . 1 1 2 2 HIS C C 2 171.930 171.930 174.228 -2.298 19792 3580 1 8 . 1 1 2 2 HIS CA C 2 52.879 52.879 56.205 -3.326 19792 3581 1 8 . 1 1 2 2 HIS CB C 2 27.693 27.693 31.348 -3.655 19792 3582 1 8 . 1 1 3 3 MET N N 3 122.778 122.778 120.820 1.958 19792 3583 1 8 . 1 1 3 3 MET HA H 3 4.365 4.365 4.765 -0.400 19792 3584 1 8 . 1 1 3 3 MET C C 3 173.051 173.051 175.368 -2.317 19792 3585 1 8 . 1 1 3 3 MET CA C 3 52.457 52.457 55.459 -3.002 19792 3586 1 8 . 1 1 3 3 MET CB C 3 30.267 30.267 34.877 -4.610 19792 3587 1 8 . 1 1 3 3 MET H H 3 8.407 8.407 7.902 0.505 19792 3588 1 8 . 1 1 4 4 VAL N N 4 121.985 121.985 123.528 -1.543 19792 3589 1 8 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.225 -0.233 19792 3590 1 8 . 1 1 4 4 VAL C C 4 173.161 173.161 175.856 -2.695 19792 3591 1 8 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.438 -3.249 19792 3592 1 8 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.449 -2.135 19792 3593 1 8 . 1 1 4 4 VAL H H 4 8.170 8.170 8.383 -0.213 19792 3594 1 8 . 1 1 5 5 GLU N N 5 124.990 124.990 125.216 -0.226 19792 3595 1 8 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.631 -0.469 19792 3596 1 8 . 1 1 5 5 GLU C C 5 173.208 173.208 175.299 -2.091 19792 3597 1 8 . 1 1 5 5 GLU CA C 5 53.271 53.271 55.890 -2.619 19792 3598 1 8 . 1 1 5 5 GLU CB C 5 27.861 27.861 29.043 -1.181 19792 3599 1 8 . 1 1 5 5 GLU H H 5 8.469 8.469 8.545 -0.076 19792 3600 1 8 . 1 1 6 6 ALA N N 6 124.750 124.750 125.466 -0.716 19792 3601 1 8 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.656 -0.521 19792 3602 1 8 . 1 1 6 6 ALA C C 6 174.516 174.516 175.985 -1.469 19792 3603 1 8 . 1 1 6 6 ALA CA C 6 49.571 49.571 52.237 -2.666 19792 3604 1 8 . 1 1 6 6 ALA CB C 6 16.604 16.604 20.366 -3.763 19792 3605 1 8 . 1 1 6 6 ALA H H 6 8.229 8.229 8.095 0.134 19792 3606 1 8 . 1 1 7 7 ASP N N 7 119.477 119.477 121.519 -2.042 19792 3607 1 8 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.759 -0.329 19792 3608 1 8 . 1 1 7 7 ASP C C 7 173.005 173.005 175.197 -2.192 19792 3609 1 8 . 1 1 7 7 ASP CA C 7 51.032 51.032 54.441 -3.409 19792 3610 1 8 . 1 1 7 7 ASP CB C 7 38.658 38.658 41.752 -3.094 19792 3611 1 8 . 1 1 7 7 ASP H H 7 8.172 8.172 8.294 -0.122 19792 3612 1 8 . 1 1 8 8 ARG N N 8 121.454 121.454 122.677 -1.223 19792 3613 1 8 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.680 -0.577 19792 3614 1 8 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.959 -0.251 19792 3615 1 8 . 1 1 8 8 ARG CB C 8 27.813 27.813 32.300 -4.487 19792 3616 1 8 . 1 1 8 8 ARG H H 8 8.168 8.168 8.246 -0.078 19792 3617 1 8 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.564 -0.151 19792 3618 1 8 . 1 1 9 9 PRO C C 9 174.662 174.662 177.152 -2.490 19792 3619 1 8 . 1 1 9 9 PRO CA C 9 60.806 60.806 63.031 -2.225 19792 3620 1 8 . 1 1 9 9 PRO CB C 9 29.471 29.471 31.666 -2.196 19792 3621 1 8 . 1 1 10 10 GLY N N 10 108.287 108.287 110.235 -1.948 19792 3622 1 8 . 1 1 10 10 GLY C C 10 169.715 169.715 173.285 -3.570 19792 3623 1 8 . 1 1 10 10 GLY CA C 10 42.529 42.529 44.669 -2.139 19792 3624 1 8 . 1 1 10 10 GLY H H 10 8.769 8.769 8.685 0.084 19792 3625 1 8 . 1 1 11 11 LYS N N 11 122.177 122.177 120.377 1.800 19792 3626 1 8 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.808 0.056 19792 3627 1 8 . 1 1 11 11 LYS C C 11 172.419 172.419 175.796 -3.377 19792 3628 1 8 . 1 1 11 11 LYS CA C 11 53.417 53.417 56.334 -2.917 19792 3629 1 8 . 1 1 11 11 LYS CB C 11 32.058 32.058 34.487 -2.429 19792 3630 1 8 . 1 1 11 11 LYS H H 11 7.753 7.753 7.605 0.148 19792 3631 1 8 . 1 1 12 12 LEU N N 12 127.116 127.116 122.563 4.553 19792 3632 1 8 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.844 0.095 19792 3633 1 8 . 1 1 12 12 LEU C C 12 173.185 173.185 175.990 -2.805 19792 3634 1 8 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.232 -2.931 19792 3635 1 8 . 1 1 12 12 LEU CB C 12 42.075 42.075 45.876 -3.801 19792 3636 1 8 . 1 1 12 12 LEU H H 12 9.465 9.465 8.270 1.195 19792 3637 1 8 . 1 1 13 13 PHE N N 13 122.922 122.922 119.750 3.172 19792 3638 1 8 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.941 -0.229 19792 3639 1 8 . 1 1 13 13 PHE C C 13 170.330 170.330 173.304 -2.974 19792 3640 1 8 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.957 -3.916 19792 3641 1 8 . 1 1 13 13 PHE CB C 13 38.520 38.520 42.859 -4.339 19792 3642 1 8 . 1 1 13 13 PHE H H 13 9.213 9.213 8.341 0.872 19792 3643 1 8 . 1 1 14 14 ILE N N 14 128.128 128.128 125.425 2.703 19792 3644 1 8 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.382 -0.567 19792 3645 1 8 . 1 1 14 14 ILE C C 14 171.441 171.441 175.034 -3.593 19792 3646 1 8 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.566 -4.155 19792 3647 1 8 . 1 1 14 14 ILE CB C 14 36.448 36.448 41.153 -4.705 19792 3648 1 8 . 1 1 14 14 ILE H H 14 8.304 8.304 8.857 -0.553 19792 3649 1 8 . 1 1 15 15 GLY N N 15 110.945 110.945 112.329 -1.384 19792 3650 1 8 . 1 1 15 15 GLY C C 15 170.863 170.863 174.015 -3.152 19792 3651 1 8 . 1 1 15 15 GLY CA C 15 40.913 40.913 45.491 -4.578 19792 3652 1 8 . 1 1 15 15 GLY H H 15 8.965 8.965 9.051 -0.086 19792 3653 1 8 . 1 1 16 16 GLY N N 16 107.025 107.025 108.530 -1.505 19792 3654 1 8 . 1 1 16 16 GLY C C 16 172.134 172.134 174.562 -2.428 19792 3655 1 8 . 1 1 16 16 GLY CA C 16 42.862 42.862 44.632 -1.770 19792 3656 1 8 . 1 1 16 16 GLY H H 16 7.865 7.865 8.068 -0.203 19792 3657 1 8 . 1 1 17 17 LEU N N 17 115.104 115.104 120.893 -5.789 19792 3658 1 8 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.297 -0.385 19792 3659 1 8 . 1 1 17 17 LEU C C 17 176.024 176.024 176.466 -0.442 19792 3660 1 8 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.382 -2.799 19792 3661 1 8 . 1 1 17 17 LEU CB C 17 40.169 40.169 41.922 -1.754 19792 3662 1 8 . 1 1 17 17 LEU H H 17 7.521 7.521 7.965 -0.444 19792 3663 1 8 . 1 1 18 18 ASN N N 18 120.666 120.666 117.030 3.636 19792 3664 1 8 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.667 -0.281 19792 3665 1 8 . 1 1 18 18 ASN C C 18 176.199 176.199 175.794 0.405 19792 3666 1 8 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.289 -2.987 19792 3667 1 8 . 1 1 18 18 ASN CB C 18 35.692 35.692 39.954 -4.262 19792 3668 1 8 . 1 1 18 18 ASN H H 18 9.528 9.528 8.011 1.517 19792 3669 1 8 . 1 1 19 19 THR N N 19 123.230 123.230 108.728 14.502 19792 3670 1 8 . 1 1 19 19 THR HA H 19 3.699 3.699 4.697 -0.998 19792 3671 1 8 . 1 1 19 19 THR C C 19 172.195 172.195 174.576 -2.381 19792 3672 1 8 . 1 1 19 19 THR CA C 19 62.512 62.512 62.529 -0.017 19792 3673 1 8 . 1 1 19 19 THR CB C 19 65.438 65.438 69.208 -3.770 19792 3674 1 8 . 1 1 19 19 THR H H 19 8.809 8.809 8.475 0.334 19792 3675 1 8 . 1 1 20 20 GLU N N 20 118.055 118.055 119.543 -1.488 19792 3676 1 8 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.469 -0.293 19792 3677 1 8 . 1 1 20 20 GLU C C 20 174.826 174.826 175.165 -0.339 19792 3678 1 8 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.586 -2.405 19792 3679 1 8 . 1 1 20 20 GLU CB C 20 27.076 27.076 29.888 -2.812 19792 3680 1 8 . 1 1 20 20 GLU H H 20 8.703 8.703 8.142 0.561 19792 3681 1 8 . 1 1 21 21 THR N N 21 119.209 119.209 119.178 0.031 19792 3682 1 8 . 1 1 21 21 THR HA H 21 3.930 3.930 4.308 -0.378 19792 3683 1 8 . 1 1 21 21 THR C C 21 171.688 171.688 173.518 -1.830 19792 3684 1 8 . 1 1 21 21 THR CA C 21 61.882 61.882 63.175 -1.293 19792 3685 1 8 . 1 1 21 21 THR CB C 21 65.397 65.397 69.023 -3.626 19792 3686 1 8 . 1 1 21 21 THR H H 21 7.514 7.514 7.619 -0.105 19792 3687 1 8 . 1 1 22 22 ASN N N 22 126.624 126.624 124.037 2.587 19792 3688 1 8 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.748 0.021 19792 3689 1 8 . 1 1 22 22 ASN C C 22 172.032 172.032 176.428 -4.396 19792 3690 1 8 . 1 1 22 22 ASN CA C 22 47.706 47.706 51.532 -3.826 19792 3691 1 8 . 1 1 22 22 ASN CB C 22 37.373 37.373 39.486 -2.113 19792 3692 1 8 . 1 1 22 22 ASN H H 22 8.031 8.031 8.369 -0.338 19792 3693 1 8 . 1 1 23 23 GLU N N 23 118.056 118.056 119.846 -1.790 19792 3694 1 8 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.919 -0.352 19792 3695 1 8 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.189 -1.405 19792 3696 1 8 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.198 -3.336 19792 3697 1 8 . 1 1 23 23 GLU H H 23 10.151 10.151 8.728 1.423 19792 3698 1 8 . 1 1 24 24 LYS N N 24 118.897 118.897 117.973 0.924 19792 3699 1 8 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.259 -0.254 19792 3700 1 8 . 1 1 24 24 LYS C C 24 176.843 176.843 177.107 -0.264 19792 3701 1 8 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.717 -2.986 19792 3702 1 8 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.957 -2.586 19792 3703 1 8 . 1 1 24 24 LYS H H 24 7.839 7.839 8.353 -0.514 19792 3704 1 8 . 1 1 25 25 ALA N N 25 123.210 123.210 119.097 4.113 19792 3705 1 8 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.336 -0.167 19792 3706 1 8 . 1 1 25 25 ALA C C 25 178.048 178.048 178.303 -0.255 19792 3707 1 8 . 1 1 25 25 ALA CA C 25 51.868 51.868 53.072 -1.204 19792 3708 1 8 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.788 -2.649 19792 3709 1 8 . 1 1 25 25 ALA H H 25 7.827 7.827 7.558 0.269 19792 3710 1 8 . 1 1 26 26 LEU N N 26 116.466 116.466 118.315 -1.849 19792 3711 1 8 . 1 1 26 26 LEU HA H 26 4.024 4.024 4.389 -0.365 19792 3712 1 8 . 1 1 26 26 LEU C C 26 176.375 176.375 178.963 -2.588 19792 3713 1 8 . 1 1 26 26 LEU CA C 26 54.958 54.958 56.457 -1.499 19792 3714 1 8 . 1 1 26 26 LEU CB C 26 39.701 39.701 42.966 -3.265 19792 3715 1 8 . 1 1 26 26 LEU H H 26 7.652 7.652 7.922 -0.270 19792 3716 1 8 . 1 1 27 27 GLU N N 27 119.789 119.789 119.242 0.547 19792 3717 1 8 . 1 1 27 27 GLU HA H 27 3.591 3.591 4.035 -0.444 19792 3718 1 8 . 1 1 27 27 GLU C C 27 176.206 176.206 177.274 -1.068 19792 3719 1 8 . 1 1 27 27 GLU CA C 27 57.072 57.072 58.594 -1.522 19792 3720 1 8 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.291 -2.224 19792 3721 1 8 . 1 1 27 27 GLU H H 27 8.480 8.480 8.501 -0.021 19792 3722 1 8 . 1 1 28 28 ALA N N 28 120.599 120.599 120.207 0.392 19792 3723 1 8 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.432 -0.393 19792 3724 1 8 . 1 1 28 28 ALA C C 28 177.506 177.506 178.376 -0.870 19792 3725 1 8 . 1 1 28 28 ALA CA C 28 51.907 51.907 53.515 -1.608 19792 3726 1 8 . 1 1 28 28 ALA CB C 28 15.407 15.407 19.054 -3.647 19792 3727 1 8 . 1 1 28 28 ALA H H 28 7.837 7.837 7.574 0.263 19792 3728 1 8 . 1 1 29 29 VAL N N 29 115.536 115.536 117.018 -1.482 19792 3729 1 8 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.757 0.069 19792 3730 1 8 . 1 1 29 29 VAL C C 29 174.998 174.998 176.084 -1.086 19792 3731 1 8 . 1 1 29 29 VAL CA C 29 61.999 61.999 64.885 -2.886 19792 3732 1 8 . 1 1 29 29 VAL CB C 29 29.878 29.878 32.048 -2.170 19792 3733 1 8 . 1 1 29 29 VAL H H 29 7.626 7.626 7.881 -0.255 19792 3734 1 8 . 1 1 30 30 PHE N N 30 115.465 115.465 115.330 0.135 19792 3735 1 8 . 1 1 30 30 PHE HA H 30 4.482 4.482 5.110 -0.628 19792 3736 1 8 . 1 1 30 30 PHE C C 30 174.725 174.725 177.665 -2.940 19792 3737 1 8 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.757 0.871 19792 3738 1 8 . 1 1 30 30 PHE CB C 30 35.394 35.394 40.735 -5.341 19792 3739 1 8 . 1 1 30 30 PHE H H 30 8.514 8.514 7.524 0.990 19792 3740 1 8 . 1 1 31 31 GLY N N 31 108.299 108.299 108.570 -0.271 19792 3741 1 8 . 1 1 31 31 GLY C C 31 172.455 172.455 175.999 -3.544 19792 3742 1 8 . 1 1 31 31 GLY CA C 31 43.505 43.505 46.596 -3.091 19792 3743 1 8 . 1 1 31 31 GLY H H 31 8.294 8.294 8.844 -0.550 19792 3744 1 8 . 1 1 32 32 LYS N N 32 117.309 117.309 117.917 -0.608 19792 3745 1 8 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.041 -0.115 19792 3746 1 8 . 1 1 32 32 LYS C C 32 174.779 174.779 176.062 -1.283 19792 3747 1 8 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.796 -3.096 19792 3748 1 8 . 1 1 32 32 LYS CB C 32 28.935 28.935 30.807 -1.872 19792 3749 1 8 . 1 1 32 32 LYS H H 32 6.846 6.846 7.907 -1.061 19792 3750 1 8 . 1 1 33 33 TYR N N 33 115.635 115.635 117.496 -1.861 19792 3751 1 8 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.728 -0.611 19792 3752 1 8 . 1 1 33 33 TYR C C 33 171.935 171.935 174.669 -2.734 19792 3753 1 8 . 1 1 33 33 TYR CA C 33 56.609 56.609 57.779 -1.169 19792 3754 1 8 . 1 1 33 33 TYR CB C 33 35.735 35.735 40.477 -4.742 19792 3755 1 8 . 1 1 33 33 TYR H H 33 7.593 7.593 7.944 -0.351 19792 3756 1 8 . 1 1 34 34 GLY N N 34 104.503 104.503 106.100 -1.597 19792 3757 1 8 . 1 1 34 34 GLY C C 34 168.962 168.962 172.056 -3.094 19792 3758 1 8 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.463 -3.900 19792 3759 1 8 . 1 1 34 34 GLY H H 34 7.253 7.253 7.498 -0.245 19792 3760 1 8 . 1 1 35 35 ARG N N 35 116.679 116.679 121.856 -5.177 19792 3761 1 8 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.849 -0.734 19792 3762 1 8 . 1 1 35 35 ARG C C 35 174.272 174.272 175.508 -1.236 19792 3763 1 8 . 1 1 35 35 ARG CA C 35 54.785 54.785 54.596 0.189 19792 3764 1 8 . 1 1 35 35 ARG CB C 35 27.958 27.958 31.373 -3.415 19792 3765 1 8 . 1 1 35 35 ARG H H 35 8.196 8.196 8.922 -0.726 19792 3766 1 8 . 1 1 36 36 ILE N N 36 128.885 128.885 126.033 2.852 19792 3767 1 8 . 1 1 36 36 ILE HA H 36 3.827 3.827 3.849 -0.022 19792 3768 1 8 . 1 1 36 36 ILE C C 36 173.725 173.725 176.166 -2.441 19792 3769 1 8 . 1 1 36 36 ILE CA C 36 57.740 57.740 63.000 -5.260 19792 3770 1 8 . 1 1 36 36 ILE CB C 36 37.006 37.006 38.682 -1.676 19792 3771 1 8 . 1 1 36 36 ILE H H 36 8.760 8.760 8.767 -0.007 19792 3772 1 8 . 1 1 37 37 VAL N N 37 122.612 122.612 123.906 -1.294 19792 3773 1 8 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.218 -0.135 19792 3774 1 8 . 1 1 37 37 VAL C C 37 172.917 172.917 174.622 -1.705 19792 3775 1 8 . 1 1 37 37 VAL CA C 37 59.346 59.346 62.074 -2.728 19792 3776 1 8 . 1 1 37 37 VAL CB C 37 30.375 30.375 32.617 -2.242 19792 3777 1 8 . 1 1 37 37 VAL H H 37 8.751 8.751 8.344 0.407 19792 3778 1 8 . 1 1 38 38 GLU N N 38 118.683 118.683 119.492 -0.809 19792 3779 1 8 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.445 -0.077 19792 3780 1 8 . 1 1 38 38 GLU C C 38 170.647 170.647 173.873 -3.226 19792 3781 1 8 . 1 1 38 38 GLU CA C 38 53.636 53.636 55.902 -2.266 19792 3782 1 8 . 1 1 38 38 GLU CB C 38 31.112 31.112 32.683 -1.571 19792 3783 1 8 . 1 1 38 38 GLU H H 38 7.075 7.075 7.799 -0.724 19792 3784 1 8 . 1 1 39 39 VAL N N 39 125.880 125.880 121.415 4.465 19792 3785 1 8 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.163 0.156 19792 3786 1 8 . 1 1 39 39 VAL C C 39 170.693 170.693 174.317 -3.624 19792 3787 1 8 . 1 1 39 39 VAL CA C 39 59.056 59.056 60.658 -1.602 19792 3788 1 8 . 1 1 39 39 VAL CB C 39 31.077 31.077 34.950 -3.873 19792 3789 1 8 . 1 1 39 39 VAL H H 39 8.509 8.509 8.276 0.233 19792 3790 1 8 . 1 1 40 40 LEU N N 40 129.331 129.331 122.891 6.440 19792 3791 1 8 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.838 -0.163 19792 3792 1 8 . 1 1 40 40 LEU C C 40 171.627 171.627 174.290 -2.663 19792 3793 1 8 . 1 1 40 40 LEU CA C 40 50.744 50.744 54.174 -3.430 19792 3794 1 8 . 1 1 40 40 LEU CB C 40 42.066 42.066 46.810 -4.744 19792 3795 1 8 . 1 1 40 40 LEU H H 40 8.928 8.928 8.266 0.662 19792 3796 1 8 . 1 1 41 41 LEU N N 41 128.574 128.574 125.604 2.970 19792 3797 1 8 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.769 -0.429 19792 3798 1 8 . 1 1 41 41 LEU C C 41 172.935 172.935 175.639 -2.704 19792 3799 1 8 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.034 -3.158 19792 3800 1 8 . 1 1 41 41 LEU CB C 41 41.547 41.547 44.929 -3.382 19792 3801 1 8 . 1 1 41 41 LEU H H 41 9.023 9.023 8.381 0.642 19792 3802 1 8 . 1 1 42 42 MET N N 42 125.617 125.617 125.172 0.445 19792 3803 1 8 . 1 1 42 42 MET HA H 42 4.357 4.357 4.580 -0.223 19792 3804 1 8 . 1 1 42 42 MET C C 42 172.606 172.606 175.249 -2.643 19792 3805 1 8 . 1 1 42 42 MET CA C 42 51.857 51.857 54.434 -2.577 19792 3806 1 8 . 1 1 42 42 MET CB C 42 27.700 27.700 33.087 -5.387 19792 3807 1 8 . 1 1 42 42 MET H H 42 7.988 7.988 8.430 -0.442 19792 3808 1 8 . 1 1 43 43 LYS N N 43 121.956 121.956 118.354 3.602 19792 3809 1 8 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.809 -0.050 19792 3810 1 8 . 1 1 43 43 LYS C C 43 173.591 173.591 175.120 -1.529 19792 3811 1 8 . 1 1 43 43 LYS CA C 43 51.608 51.608 54.948 -3.340 19792 3812 1 8 . 1 1 43 43 LYS CB C 43 33.447 33.447 36.535 -3.088 19792 3813 1 8 . 1 1 43 43 LYS H H 43 8.289 8.289 8.088 0.201 19792 3814 1 8 . 1 1 44 44 ASP N N 44 123.608 123.608 122.446 1.162 19792 3815 1 8 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.671 -0.200 19792 3816 1 8 . 1 1 44 44 ASP C C 44 174.790 174.790 177.043 -2.253 19792 3817 1 8 . 1 1 44 44 ASP CA C 44 51.279 51.279 53.484 -2.205 19792 3818 1 8 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.929 -2.752 19792 3819 1 8 . 1 1 44 44 ASP H H 44 8.693 8.693 8.746 -0.053 19792 3820 1 8 . 1 1 45 45 ARG N N 45 126.884 126.884 124.387 2.497 19792 3821 1 8 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.112 -0.136 19792 3822 1 8 . 1 1 45 45 ARG C C 45 174.578 174.578 177.307 -2.729 19792 3823 1 8 . 1 1 45 45 ARG CA C 45 55.637 55.637 58.483 -2.846 19792 3824 1 8 . 1 1 45 45 ARG CB C 45 27.544 27.544 29.728 -2.184 19792 3825 1 8 . 1 1 45 45 ARG H H 45 8.875 8.875 8.630 0.245 19792 3826 1 8 . 1 1 46 46 GLU N N 46 117.313 117.313 120.404 -3.091 19792 3827 1 8 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.218 -0.036 19792 3828 1 8 . 1 1 46 46 GLU C C 46 175.625 175.625 177.164 -1.539 19792 3829 1 8 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.638 -3.010 19792 3830 1 8 . 1 1 46 46 GLU CB C 46 27.597 27.597 30.136 -2.539 19792 3831 1 8 . 1 1 46 46 GLU H H 46 8.561 8.561 8.259 0.302 19792 3832 1 8 . 1 1 47 47 THR N N 47 107.019 107.019 111.362 -4.343 19792 3833 1 8 . 1 1 47 47 THR HA H 47 4.277 4.277 4.386 -0.109 19792 3834 1 8 . 1 1 47 47 THR C C 47 173.242 173.242 173.142 0.100 19792 3835 1 8 . 1 1 47 47 THR CA C 47 58.709 58.709 62.472 -3.764 19792 3836 1 8 . 1 1 47 47 THR CB C 47 67.971 67.971 68.182 -0.211 19792 3837 1 8 . 1 1 47 47 THR H H 47 8.053 8.053 7.713 0.340 19792 3838 1 8 . 1 1 48 48 ASN N N 48 117.468 117.468 117.043 0.425 19792 3839 1 8 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.298 0.037 19792 3840 1 8 . 1 1 48 48 ASN C C 48 171.106 171.106 174.675 -3.569 19792 3841 1 8 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.804 -2.674 19792 3842 1 8 . 1 1 48 48 ASN CB C 48 35.645 35.645 37.237 -1.592 19792 3843 1 8 . 1 1 48 48 ASN H H 48 8.230 8.230 8.200 0.030 19792 3844 1 8 . 1 1 49 49 LYS N N 49 117.523 117.523 117.115 0.408 19792 3845 1 8 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.230 0.066 19792 3846 1 8 . 1 1 49 49 LYS C C 49 173.910 173.910 176.172 -2.262 19792 3847 1 8 . 1 1 49 49 LYS CA C 49 52.763 52.763 56.464 -3.701 19792 3848 1 8 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.143 -2.104 19792 3849 1 8 . 1 1 49 49 LYS H H 49 7.517 7.517 7.547 -0.030 19792 3850 1 8 . 1 1 50 50 SER N N 50 115.960 115.960 116.135 -0.175 19792 3851 1 8 . 1 1 50 50 SER HA H 50 4.197 4.197 4.737 -0.540 19792 3852 1 8 . 1 1 50 50 SER C C 50 173.417 173.417 174.241 -0.824 19792 3853 1 8 . 1 1 50 50 SER CA C 50 55.614 55.614 56.085 -0.471 19792 3854 1 8 . 1 1 50 50 SER CB C 50 61.524 61.524 63.070 -1.546 19792 3855 1 8 . 1 1 50 50 SER H H 50 8.705 8.705 8.651 0.054 19792 3856 1 8 . 1 1 51 51 ARG N N 51 124.058 124.058 128.333 -4.275 19792 3857 1 8 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.375 -0.067 19792 3858 1 8 . 1 1 51 51 ARG C C 51 174.657 174.657 177.646 -2.989 19792 3859 1 8 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.691 -2.298 19792 3860 1 8 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.659 -1.879 19792 3861 1 8 . 1 1 51 51 ARG H H 51 9.023 9.023 7.856 1.167 19792 3862 1 8 . 1 1 52 52 GLY N N 52 106.703 106.703 108.892 -2.189 19792 3863 1 8 . 1 1 52 52 GLY C C 52 168.863 168.863 173.521 -4.658 19792 3864 1 8 . 1 1 52 52 GLY CA C 52 42.919 42.919 44.753 -1.834 19792 3865 1 8 . 1 1 52 52 GLY H H 52 9.129 9.129 8.840 0.289 19792 3866 1 8 . 1 1 53 53 PHE N N 53 112.307 112.307 117.032 -4.725 19792 3867 1 8 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.402 -0.159 19792 3868 1 8 . 1 1 53 53 PHE C C 53 169.552 169.552 172.911 -3.359 19792 3869 1 8 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.834 -2.739 19792 3870 1 8 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.422 -2.508 19792 3871 1 8 . 1 1 53 53 PHE H H 53 6.845 6.845 7.291 -0.446 19792 3872 1 8 . 1 1 54 54 ALA N N 54 120.987 120.987 122.164 -1.177 19792 3873 1 8 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.570 0.324 19792 3874 1 8 . 1 1 54 54 ALA C C 54 171.062 171.062 174.432 -3.370 19792 3875 1 8 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.453 -4.404 19792 3876 1 8 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.706 0.120 19792 3877 1 8 . 1 1 54 54 ALA H H 54 8.970 8.970 8.975 -0.005 19792 3878 1 8 . 1 1 55 55 PHE N N 55 114.157 114.157 120.678 -6.521 19792 3879 1 8 . 1 1 55 55 PHE HA H 55 5.768 5.768 5.007 0.761 19792 3880 1 8 . 1 1 55 55 PHE C C 55 173.605 173.605 173.081 0.524 19792 3881 1 8 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.763 -3.683 19792 3882 1 8 . 1 1 55 55 PHE CB C 55 40.029 40.029 42.753 -2.724 19792 3883 1 8 . 1 1 55 55 PHE H H 55 8.837 8.837 8.022 0.815 19792 3884 1 8 . 1 1 56 56 VAL N N 56 123.812 123.812 124.985 -1.173 19792 3885 1 8 . 1 1 56 56 VAL HA H 56 4.474 4.474 3.705 0.769 19792 3886 1 8 . 1 1 56 56 VAL C C 56 171.401 171.401 174.232 -2.831 19792 3887 1 8 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.324 -2.476 19792 3888 1 8 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.413 -2.886 19792 3889 1 8 . 1 1 56 56 VAL H H 56 8.558 8.558 8.089 0.469 19792 3890 1 8 . 1 1 57 57 THR N N 57 123.000 123.000 119.999 3.001 19792 3891 1 8 . 1 1 57 57 THR HA H 57 4.974 4.974 4.974 0.000 19792 3892 1 8 . 1 1 57 57 THR C C 57 171.340 171.340 173.802 -2.462 19792 3893 1 8 . 1 1 57 57 THR CA C 57 58.659 58.659 60.788 -2.130 19792 3894 1 8 . 1 1 57 57 THR CB C 57 66.662 66.662 70.106 -3.444 19792 3895 1 8 . 1 1 57 57 THR H H 57 8.808 8.808 7.464 1.344 19792 3896 1 8 . 1 1 58 58 PHE N N 58 128.385 128.385 117.443 10.942 19792 3897 1 8 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.610 0.073 19792 3898 1 8 . 1 1 58 58 PHE C C 58 172.367 172.367 175.708 -3.341 19792 3899 1 8 . 1 1 58 58 PHE CA C 58 55.449 55.449 57.384 -1.935 19792 3900 1 8 . 1 1 58 58 PHE CB C 58 37.909 37.909 42.749 -4.840 19792 3901 1 8 . 1 1 58 58 PHE H H 58 8.835 8.835 8.098 0.737 19792 3902 1 8 . 1 1 59 59 GLU N N 59 121.627 121.627 122.086 -0.459 19792 3903 1 8 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.085 -0.319 19792 3904 1 8 . 1 1 59 59 GLU C C 59 173.666 173.666 176.581 -2.915 19792 3905 1 8 . 1 1 59 59 GLU CA C 59 56.293 56.293 59.381 -3.088 19792 3906 1 8 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.493 -2.706 19792 3907 1 8 . 1 1 59 59 GLU H H 59 8.067 8.067 8.940 -0.873 19792 3908 1 8 . 1 1 60 60 SER N N 60 112.302 112.302 112.496 -0.194 19792 3909 1 8 . 1 1 60 60 SER HA H 60 5.163 5.163 4.904 0.259 19792 3910 1 8 . 1 1 60 60 SER CA C 60 50.137 50.137 54.669 -4.532 19792 3911 1 8 . 1 1 60 60 SER CB C 60 61.350 61.350 64.258 -2.908 19792 3912 1 8 . 1 1 60 60 SER H H 60 9.333 9.333 7.944 1.389 19792 3913 1 8 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.471 -0.473 19792 3914 1 8 . 1 1 61 61 PRO CA C 61 61.850 61.850 65.206 -3.356 19792 3915 1 8 . 1 1 61 61 PRO CB C 61 29.391 29.391 31.951 -2.559 19792 3916 1 8 . 1 1 62 62 ALA N N 62 121.088 121.088 121.244 -0.156 19792 3917 1 8 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.141 -0.209 19792 3918 1 8 . 1 1 62 62 ALA C C 62 176.826 176.826 179.083 -2.257 19792 3919 1 8 . 1 1 62 62 ALA CA C 62 52.266 52.266 54.589 -2.323 19792 3920 1 8 . 1 1 62 62 ALA CB C 62 15.618 15.618 17.889 -2.271 19792 3921 1 8 . 1 1 62 62 ALA H H 62 7.821 7.821 8.282 -0.461 19792 3922 1 8 . 1 1 63 63 ASP N N 63 120.099 120.099 120.291 -0.192 19792 3923 1 8 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.374 -0.282 19792 3924 1 8 . 1 1 63 63 ASP C C 63 174.505 174.505 178.135 -3.630 19792 3925 1 8 . 1 1 63 63 ASP CA C 63 53.809 53.809 57.205 -3.396 19792 3926 1 8 . 1 1 63 63 ASP CB C 63 37.374 37.374 39.700 -2.326 19792 3927 1 8 . 1 1 63 63 ASP H H 63 6.960 6.960 8.500 -1.540 19792 3928 1 8 . 1 1 64 64 ALA N N 64 119.533 119.533 121.267 -1.734 19792 3929 1 8 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.237 -0.096 19792 3930 1 8 . 1 1 64 64 ALA C C 64 176.037 176.037 179.275 -3.238 19792 3931 1 8 . 1 1 64 64 ALA CA C 64 51.399 51.399 54.704 -3.305 19792 3932 1 8 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.432 -2.867 19792 3933 1 8 . 1 1 64 64 ALA H H 64 6.771 6.771 7.393 -0.622 19792 3934 1 8 . 1 1 65 65 LYS N N 65 117.395 117.395 118.704 -1.309 19792 3935 1 8 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.899 -0.172 19792 3936 1 8 . 1 1 65 65 LYS C C 65 176.716 176.716 178.248 -1.532 19792 3937 1 8 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.372 -2.688 19792 3938 1 8 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.351 -3.168 19792 3939 1 8 . 1 1 65 65 LYS H H 65 7.478 7.478 7.326 0.152 19792 3940 1 8 . 1 1 66 66 ASP N N 66 120.839 120.839 118.340 2.499 19792 3941 1 8 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.406 -0.223 19792 3942 1 8 . 1 1 66 66 ASP C C 66 175.111 175.111 177.805 -2.694 19792 3943 1 8 . 1 1 66 66 ASP CA C 66 54.430 54.430 57.244 -2.814 19792 3944 1 8 . 1 1 66 66 ASP CB C 66 37.720 37.720 41.208 -3.488 19792 3945 1 8 . 1 1 66 66 ASP H H 66 7.403 7.403 7.940 -0.537 19792 3946 1 8 . 1 1 67 67 ALA N N 67 122.056 122.056 122.002 0.054 19792 3947 1 8 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.309 -1.149 19792 3948 1 8 . 1 1 67 67 ALA C C 67 176.448 176.448 178.749 -2.301 19792 3949 1 8 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.934 -3.635 19792 3950 1 8 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.419 -1.166 19792 3951 1 8 . 1 1 67 67 ALA H H 67 7.737 7.737 7.945 -0.208 19792 3952 1 8 . 1 1 68 68 ALA N N 68 118.624 118.624 116.674 1.950 19792 3953 1 8 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.097 -0.398 19792 3954 1 8 . 1 1 68 68 ALA C C 68 176.619 176.619 177.758 -1.139 19792 3955 1 8 . 1 1 68 68 ALA CA C 68 52.280 52.280 53.568 -1.288 19792 3956 1 8 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.600 -3.751 19792 3957 1 8 . 1 1 68 68 ALA H H 68 8.108 8.108 7.706 0.402 19792 3958 1 8 . 1 1 69 69 ARG N N 69 116.265 116.265 115.654 0.611 19792 3959 1 8 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.487 -0.555 19792 3960 1 8 . 1 1 69 69 ARG C C 69 175.857 175.857 176.240 -0.383 19792 3961 1 8 . 1 1 69 69 ARG CA C 69 55.734 55.734 56.158 -0.424 19792 3962 1 8 . 1 1 69 69 ARG CB C 69 27.249 27.249 31.582 -4.333 19792 3963 1 8 . 1 1 69 69 ARG H H 69 7.599 7.599 7.664 -0.065 19792 3964 1 8 . 1 1 70 70 ASP N N 70 116.202 116.202 120.216 -4.014 19792 3965 1 8 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.556 -0.001 19792 3966 1 8 . 1 1 70 70 ASP C C 70 174.867 174.867 177.220 -2.353 19792 3967 1 8 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.391 -2.077 19792 3968 1 8 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.719 -1.880 19792 3969 1 8 . 1 1 70 70 ASP H H 70 7.657 7.657 8.270 -0.613 19792 3970 1 8 . 1 1 71 71 MET N N 71 111.561 111.561 119.088 -7.527 19792 3971 1 8 . 1 1 71 71 MET HA H 71 4.742 4.742 4.359 0.383 19792 3972 1 8 . 1 1 71 71 MET C C 71 175.174 175.174 175.794 -0.620 19792 3973 1 8 . 1 1 71 71 MET CA C 71 50.378 50.378 56.174 -5.796 19792 3974 1 8 . 1 1 71 71 MET CB C 71 29.047 29.047 32.733 -3.686 19792 3975 1 8 . 1 1 71 71 MET H H 71 8.069 8.069 8.103 -0.034 19792 3976 1 8 . 1 1 72 72 ASN N N 72 116.196 116.196 118.057 -1.861 19792 3977 1 8 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.529 -0.248 19792 3978 1 8 . 1 1 72 72 ASN C C 72 173.812 173.812 175.718 -1.906 19792 3979 1 8 . 1 1 72 72 ASN CA C 72 53.826 53.826 54.701 -0.875 19792 3980 1 8 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.337 -2.452 19792 3981 1 8 . 1 1 72 72 ASN H H 72 7.442 7.442 7.597 -0.155 19792 3982 1 8 . 1 1 73 73 GLY N N 73 116.956 116.956 110.826 6.130 19792 3983 1 8 . 1 1 73 73 GLY C C 73 171.629 171.629 175.027 -3.398 19792 3984 1 8 . 1 1 73 73 GLY CA C 73 43.091 43.091 45.259 -2.168 19792 3985 1 8 . 1 1 73 73 GLY H H 73 8.884 8.884 8.736 0.148 19792 3986 1 8 . 1 1 74 74 LYS N N 74 120.829 120.829 120.585 0.244 19792 3987 1 8 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.516 -0.276 19792 3988 1 8 . 1 1 74 74 LYS C C 74 172.132 172.132 176.251 -4.119 19792 3989 1 8 . 1 1 74 74 LYS CA C 74 52.333 52.333 55.498 -3.164 19792 3990 1 8 . 1 1 74 74 LYS CB C 74 30.131 30.131 32.865 -2.734 19792 3991 1 8 . 1 1 74 74 LYS H H 74 7.797 7.797 7.845 -0.048 19792 3992 1 8 . 1 1 75 75 SER N N 75 112.883 112.883 115.651 -2.768 19792 3993 1 8 . 1 1 75 75 SER HA H 75 4.940 4.940 4.791 0.149 19792 3994 1 8 . 1 1 75 75 SER C C 75 171.838 171.838 173.951 -2.113 19792 3995 1 8 . 1 1 75 75 SER CA C 75 54.722 54.722 58.789 -4.067 19792 3996 1 8 . 1 1 75 75 SER CB C 75 61.242 61.242 64.067 -2.825 19792 3997 1 8 . 1 1 75 75 SER H H 75 8.037 8.037 8.340 -0.303 19792 3998 1 8 . 1 1 76 76 LEU N N 76 127.669 127.669 123.632 4.037 19792 3999 1 8 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.678 -0.242 19792 4000 1 8 . 1 1 76 76 LEU C C 76 173.849 173.849 175.843 -1.994 19792 4001 1 8 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.398 -3.623 19792 4002 1 8 . 1 1 76 76 LEU CB C 76 41.886 41.886 44.370 -2.484 19792 4003 1 8 . 1 1 76 76 LEU H H 76 8.988 8.988 8.138 0.850 19792 4004 1 8 . 1 1 77 77 ASP N N 77 129.054 129.054 126.230 2.824 19792 4005 1 8 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.320 -0.146 19792 4006 1 8 . 1 1 77 77 ASP C C 77 173.415 173.415 176.607 -3.192 19792 4007 1 8 . 1 1 77 77 ASP CA C 77 52.876 52.876 54.754 -1.878 19792 4008 1 8 . 1 1 77 77 ASP CB C 77 36.413 36.413 40.483 -4.070 19792 4009 1 8 . 1 1 77 77 ASP H H 77 9.523 9.523 9.063 0.460 19792 4010 1 8 . 1 1 78 78 GLY N N 78 101.915 101.915 103.146 -1.231 19792 4011 1 8 . 1 1 78 78 GLY C C 78 170.989 170.989 174.443 -3.454 19792 4012 1 8 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.206 -2.437 19792 4013 1 8 . 1 1 78 78 GLY H H 78 8.396 8.396 8.352 0.044 19792 4014 1 8 . 1 1 79 79 LYS N N 79 119.791 119.791 122.866 -3.075 19792 4015 1 8 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.448 0.098 19792 4016 1 8 . 1 1 79 79 LYS C C 79 171.513 171.513 175.769 -4.256 19792 4017 1 8 . 1 1 79 79 LYS CA C 79 50.277 50.277 54.166 -3.889 19792 4018 1 8 . 1 1 79 79 LYS CB C 79 31.955 31.955 32.297 -0.342 19792 4019 1 8 . 1 1 79 79 LYS H H 79 7.269 7.269 7.886 -0.617 19792 4020 1 8 . 1 1 80 80 ALA N N 80 125.002 125.002 129.398 -4.396 19792 4021 1 8 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.363 0.002 19792 4022 1 8 . 1 1 80 80 ALA C C 80 175.007 175.007 177.171 -2.164 19792 4023 1 8 . 1 1 80 80 ALA CA C 80 48.381 48.381 52.612 -4.231 19792 4024 1 8 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.524 -3.309 19792 4025 1 8 . 1 1 80 80 ALA H H 80 8.235 8.235 8.864 -0.629 19792 4026 1 8 . 1 1 81 81 ILE N N 81 119.947 119.947 120.871 -0.924 19792 4027 1 8 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.662 -0.048 19792 4028 1 8 . 1 1 81 81 ILE C C 81 172.389 172.389 174.461 -2.072 19792 4029 1 8 . 1 1 81 81 ILE CA C 81 57.921 57.921 59.999 -2.078 19792 4030 1 8 . 1 1 81 81 ILE CB C 81 37.547 37.547 40.430 -2.883 19792 4031 1 8 . 1 1 81 81 ILE H H 81 8.204 8.204 8.607 -0.403 19792 4032 1 8 . 1 1 82 82 LYS N N 82 123.700 123.700 121.082 2.618 19792 4033 1 8 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.666 0.180 19792 4034 1 8 . 1 1 82 82 LYS C C 82 172.571 172.571 174.317 -1.746 19792 4035 1 8 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.758 -4.417 19792 4036 1 8 . 1 1 82 82 LYS CB C 82 31.948 31.948 34.660 -2.712 19792 4037 1 8 . 1 1 82 82 LYS H H 82 8.460 8.460 8.586 -0.126 19792 4038 1 8 . 1 1 83 83 VAL N N 83 123.707 123.707 126.781 -3.074 19792 4039 1 8 . 1 1 83 83 VAL HA H 83 5.068 5.068 4.944 0.124 19792 4040 1 8 . 1 1 83 83 VAL C C 83 171.831 171.831 175.593 -3.762 19792 4041 1 8 . 1 1 83 83 VAL CA C 83 57.954 57.954 61.627 -3.673 19792 4042 1 8 . 1 1 83 83 VAL CB C 83 31.979 31.979 33.702 -1.723 19792 4043 1 8 . 1 1 83 83 VAL H H 83 8.653 8.653 8.681 -0.028 19792 4044 1 8 . 1 1 84 84 GLU N N 84 123.150 123.150 126.315 -3.165 19792 4045 1 8 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.878 -0.194 19792 4046 1 8 . 1 1 84 84 GLU C C 84 172.141 172.141 174.712 -2.571 19792 4047 1 8 . 1 1 84 84 GLU CA C 84 51.305 51.305 54.138 -2.833 19792 4048 1 8 . 1 1 84 84 GLU CB C 84 31.690 31.690 34.351 -2.661 19792 4049 1 8 . 1 1 84 84 GLU H H 84 8.977 8.977 9.216 -0.239 19792 4050 1 8 . 1 1 85 85 GLN N N 85 121.740 121.740 118.754 2.986 19792 4051 1 8 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.606 -0.357 19792 4052 1 8 . 1 1 85 85 GLN C C 85 173.263 173.263 175.308 -2.045 19792 4053 1 8 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.443 -0.186 19792 4054 1 8 . 1 1 85 85 GLN CB C 85 26.519 26.519 29.811 -3.292 19792 4055 1 8 . 1 1 85 85 GLN H H 85 8.835 8.835 8.686 0.149 19792 4056 1 8 . 1 1 86 86 ALA N N 86 127.885 127.885 130.742 -2.857 19792 4057 1 8 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.177 0.257 19792 4058 1 8 . 1 1 86 86 ALA C C 86 174.487 174.487 176.525 -2.038 19792 4059 1 8 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.343 -2.328 19792 4060 1 8 . 1 1 86 86 ALA CB C 86 16.340 16.340 18.131 -1.791 19792 4061 1 8 . 1 1 86 86 ALA H H 86 8.608 8.608 8.694 -0.086 19792 4062 1 8 . 1 1 87 87 THR N N 87 113.372 113.372 117.295 -3.923 19792 4063 1 8 . 1 1 87 87 THR HA H 87 4.339 4.339 4.530 -0.191 19792 4064 1 8 . 1 1 87 87 THR C C 87 171.331 171.331 174.125 -2.794 19792 4065 1 8 . 1 1 87 87 THR CA C 87 58.219 58.219 61.149 -2.930 19792 4066 1 8 . 1 1 87 87 THR CB C 87 67.397 67.397 71.140 -3.743 19792 4067 1 8 . 1 1 87 87 THR H H 87 8.271 8.271 7.724 0.547 19792 4068 1 8 . 1 1 88 88 LYS N N 88 123.502 123.502 124.192 -0.690 19792 4069 1 8 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.338 0.135 19792 4070 1 8 . 1 1 88 88 LYS CA C 88 51.611 51.611 55.590 -3.979 19792 4071 1 8 . 1 1 88 88 LYS CB C 88 29.867 29.867 31.637 -1.770 19792 4072 1 8 . 1 1 88 88 LYS H H 88 8.203 8.203 8.423 -0.220 19792 4073 1 8 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.358 -0.164 19792 4074 1 8 . 1 1 89 89 PRO C C 89 173.726 173.726 176.360 -2.634 19792 4075 1 8 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.826 -3.756 19792 4076 1 8 . 1 1 89 89 PRO CB C 89 29.315 29.315 31.898 -2.583 19792 4077 1 8 . 1 1 90 90 SER N N 90 115.260 115.260 112.687 2.573 19792 4078 1 8 . 1 1 90 90 SER HA H 90 4.229 4.229 4.591 -0.362 19792 4079 1 8 . 1 1 90 90 SER C C 90 171.123 171.123 172.606 -1.483 19792 4080 1 8 . 1 1 90 90 SER CA C 90 55.017 55.017 57.416 -2.399 19792 4081 1 8 . 1 1 90 90 SER CB C 90 60.977 60.977 65.022 -4.045 19792 4082 1 8 . 1 1 90 90 SER H H 90 7.991 7.991 7.728 0.263 19792 4083 1 8 . 1 1 91 91 PHE N N 91 121.128 121.128 120.837 0.291 19792 4084 1 8 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.902 -0.375 19792 4085 1 8 . 1 1 91 91 PHE C C 91 171.798 171.798 174.519 -2.721 19792 4086 1 8 . 1 1 91 91 PHE CA C 91 54.467 54.467 58.486 -4.019 19792 4087 1 8 . 1 1 91 91 PHE CB C 91 37.008 37.008 40.661 -3.653 19792 4088 1 8 . 1 1 91 91 PHE H H 91 8.004 8.004 8.758 -0.754 19792 4089 1 9 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.552 0.044 19792 4090 1 9 . 1 1 2 2 HIS C C 2 171.930 171.930 174.975 -3.045 19792 4091 1 9 . 1 1 2 2 HIS CA C 2 52.879 52.879 56.254 -3.374 19792 4092 1 9 . 1 1 2 2 HIS CB C 2 27.693 27.693 30.688 -2.995 19792 4093 1 9 . 1 1 3 3 MET N N 3 122.778 122.778 120.948 1.830 19792 4094 1 9 . 1 1 3 3 MET HA H 3 4.365 4.365 4.723 -0.358 19792 4095 1 9 . 1 1 3 3 MET C C 3 173.051 173.051 177.004 -3.953 19792 4096 1 9 . 1 1 3 3 MET CA C 3 52.457 52.457 54.945 -2.488 19792 4097 1 9 . 1 1 3 3 MET CB C 3 30.267 30.267 34.214 -3.947 19792 4098 1 9 . 1 1 3 3 MET H H 3 8.407 8.407 8.586 -0.179 19792 4099 1 9 . 1 1 4 4 VAL N N 4 121.985 121.985 123.642 -1.657 19792 4100 1 9 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.074 -0.082 19792 4101 1 9 . 1 1 4 4 VAL C C 4 173.161 173.161 175.443 -2.282 19792 4102 1 9 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.350 -3.161 19792 4103 1 9 . 1 1 4 4 VAL CB C 4 30.313 30.313 30.344 -0.031 19792 4104 1 9 . 1 1 4 4 VAL H H 4 8.170 8.170 8.968 -0.798 19792 4105 1 9 . 1 1 5 5 GLU N N 5 124.990 124.990 120.717 4.273 19792 4106 1 9 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.228 -0.066 19792 4107 1 9 . 1 1 5 5 GLU C C 5 173.208 173.208 176.407 -3.199 19792 4108 1 9 . 1 1 5 5 GLU CA C 5 53.271 53.271 56.528 -3.257 19792 4109 1 9 . 1 1 5 5 GLU CB C 5 27.861 27.861 29.276 -1.415 19792 4110 1 9 . 1 1 5 5 GLU H H 5 8.469 8.469 7.972 0.497 19792 4111 1 9 . 1 1 6 6 ALA N N 6 124.750 124.750 123.412 1.338 19792 4112 1 9 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.250 -0.115 19792 4113 1 9 . 1 1 6 6 ALA C C 6 174.516 174.516 176.990 -2.474 19792 4114 1 9 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.705 -2.134 19792 4115 1 9 . 1 1 6 6 ALA CB C 6 16.604 16.604 19.412 -2.808 19792 4116 1 9 . 1 1 6 6 ALA H H 6 8.229 8.229 7.795 0.434 19792 4117 1 9 . 1 1 7 7 ASP N N 7 119.477 119.477 120.070 -0.593 19792 4118 1 9 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.532 -0.102 19792 4119 1 9 . 1 1 7 7 ASP C C 7 173.005 173.005 175.372 -2.367 19792 4120 1 9 . 1 1 7 7 ASP CA C 7 51.032 51.032 54.220 -3.188 19792 4121 1 9 . 1 1 7 7 ASP CB C 7 38.658 38.658 41.944 -3.286 19792 4122 1 9 . 1 1 7 7 ASP H H 7 8.172 8.172 8.393 -0.221 19792 4123 1 9 . 1 1 8 8 ARG N N 8 121.454 121.454 115.285 6.169 19792 4124 1 9 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.582 -0.479 19792 4125 1 9 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.160 0.548 19792 4126 1 9 . 1 1 8 8 ARG CB C 8 27.813 27.813 30.800 -2.987 19792 4127 1 9 . 1 1 8 8 ARG H H 8 8.168 8.168 8.124 0.044 19792 4128 1 9 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.508 -0.095 19792 4129 1 9 . 1 1 9 9 PRO C C 9 174.662 174.662 177.178 -2.516 19792 4130 1 9 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.767 -1.962 19792 4131 1 9 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.193 -0.722 19792 4132 1 9 . 1 1 10 10 GLY N N 10 108.287 108.287 109.442 -1.155 19792 4133 1 9 . 1 1 10 10 GLY C C 10 169.715 169.715 173.218 -3.503 19792 4134 1 9 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.862 -3.333 19792 4135 1 9 . 1 1 10 10 GLY H H 10 8.769 8.769 8.113 0.656 19792 4136 1 9 . 1 1 11 11 LYS N N 11 122.177 122.177 118.125 4.052 19792 4137 1 9 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.225 0.639 19792 4138 1 9 . 1 1 11 11 LYS C C 11 172.419 172.419 174.638 -2.219 19792 4139 1 9 . 1 1 11 11 LYS CA C 11 53.417 53.417 55.252 -1.835 19792 4140 1 9 . 1 1 11 11 LYS CB C 11 32.058 32.058 33.395 -1.337 19792 4141 1 9 . 1 1 11 11 LYS H H 11 7.753 7.753 7.694 0.059 19792 4142 1 9 . 1 1 12 12 LEU N N 12 127.116 127.116 123.806 3.310 19792 4143 1 9 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.570 0.369 19792 4144 1 9 . 1 1 12 12 LEU C C 12 173.185 173.185 175.795 -2.610 19792 4145 1 9 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.489 -3.188 19792 4146 1 9 . 1 1 12 12 LEU CB C 12 42.075 42.075 45.274 -3.199 19792 4147 1 9 . 1 1 12 12 LEU H H 12 9.465 9.465 7.506 1.959 19792 4148 1 9 . 1 1 13 13 PHE N N 13 122.922 122.922 120.348 2.574 19792 4149 1 9 . 1 1 13 13 PHE HA H 13 4.712 4.712 5.025 -0.313 19792 4150 1 9 . 1 1 13 13 PHE C C 13 170.330 170.330 173.593 -3.263 19792 4151 1 9 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.061 -3.020 19792 4152 1 9 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.308 -4.788 19792 4153 1 9 . 1 1 13 13 PHE H H 13 9.213 9.213 8.648 0.565 19792 4154 1 9 . 1 1 14 14 ILE N N 14 128.128 128.128 125.490 2.638 19792 4155 1 9 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.406 -0.591 19792 4156 1 9 . 1 1 14 14 ILE C C 14 171.441 171.441 174.837 -3.396 19792 4157 1 9 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.709 -4.298 19792 4158 1 9 . 1 1 14 14 ILE CB C 14 36.448 36.448 41.744 -5.296 19792 4159 1 9 . 1 1 14 14 ILE H H 14 8.304 8.304 7.629 0.675 19792 4160 1 9 . 1 1 15 15 GLY N N 15 110.945 110.945 111.113 -0.168 19792 4161 1 9 . 1 1 15 15 GLY C C 15 170.863 170.863 173.794 -2.931 19792 4162 1 9 . 1 1 15 15 GLY CA C 15 40.913 40.913 44.455 -3.542 19792 4163 1 9 . 1 1 15 15 GLY H H 15 8.965 8.965 8.840 0.125 19792 4164 1 9 . 1 1 16 16 GLY N N 16 107.025 107.025 107.882 -0.857 19792 4165 1 9 . 1 1 16 16 GLY C C 16 172.134 172.134 174.846 -2.712 19792 4166 1 9 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.678 -2.816 19792 4167 1 9 . 1 1 16 16 GLY H H 16 7.865 7.865 8.239 -0.374 19792 4168 1 9 . 1 1 17 17 LEU N N 17 115.104 115.104 118.158 -3.054 19792 4169 1 9 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.379 -0.467 19792 4170 1 9 . 1 1 17 17 LEU C C 17 176.024 176.024 176.423 -0.399 19792 4171 1 9 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.269 -2.686 19792 4172 1 9 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.658 -2.489 19792 4173 1 9 . 1 1 17 17 LEU H H 17 7.521 7.521 7.997 -0.476 19792 4174 1 9 . 1 1 18 18 ASN N N 18 120.666 120.666 117.612 3.054 19792 4175 1 9 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.678 -0.292 19792 4176 1 9 . 1 1 18 18 ASN C C 18 176.199 176.199 176.235 -0.036 19792 4177 1 9 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.517 -3.215 19792 4178 1 9 . 1 1 18 18 ASN CB C 18 35.692 35.692 40.039 -4.348 19792 4179 1 9 . 1 1 18 18 ASN H H 18 9.528 9.528 8.747 0.781 19792 4180 1 9 . 1 1 19 19 THR N N 19 123.230 123.230 109.655 13.575 19792 4181 1 9 . 1 1 19 19 THR HA H 19 3.699 3.699 4.477 -0.778 19792 4182 1 9 . 1 1 19 19 THR C C 19 172.195 172.195 174.850 -2.655 19792 4183 1 9 . 1 1 19 19 THR CA C 19 62.512 62.512 63.350 -0.838 19792 4184 1 9 . 1 1 19 19 THR CB C 19 65.438 65.438 69.094 -3.656 19792 4185 1 9 . 1 1 19 19 THR H H 19 8.809 8.809 8.387 0.422 19792 4186 1 9 . 1 1 20 20 GLU N N 20 118.055 118.055 121.294 -3.239 19792 4187 1 9 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.611 -0.435 19792 4188 1 9 . 1 1 20 20 GLU C C 20 174.826 174.826 175.587 -0.761 19792 4189 1 9 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.985 -2.804 19792 4190 1 9 . 1 1 20 20 GLU CB C 20 27.076 27.076 30.264 -3.188 19792 4191 1 9 . 1 1 20 20 GLU H H 20 8.703 8.703 7.867 0.836 19792 4192 1 9 . 1 1 21 21 THR N N 21 119.209 119.209 116.262 2.947 19792 4193 1 9 . 1 1 21 21 THR HA H 21 3.930 3.930 4.335 -0.405 19792 4194 1 9 . 1 1 21 21 THR C C 21 171.688 171.688 173.750 -2.062 19792 4195 1 9 . 1 1 21 21 THR CA C 21 61.882 61.882 63.648 -1.766 19792 4196 1 9 . 1 1 21 21 THR CB C 21 65.397 65.397 69.502 -4.105 19792 4197 1 9 . 1 1 21 21 THR H H 21 7.514 7.514 7.995 -0.481 19792 4198 1 9 . 1 1 22 22 ASN N N 22 126.624 126.624 121.633 4.991 19792 4199 1 9 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.880 -0.111 19792 4200 1 9 . 1 1 22 22 ASN C C 22 172.032 172.032 175.904 -3.872 19792 4201 1 9 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.117 -4.411 19792 4202 1 9 . 1 1 22 22 ASN CB C 22 37.373 37.373 41.312 -3.939 19792 4203 1 9 . 1 1 22 22 ASN H H 22 8.031 8.031 8.241 -0.210 19792 4204 1 9 . 1 1 23 23 GLU N N 23 118.056 118.056 121.850 -3.794 19792 4205 1 9 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.792 -0.225 19792 4206 1 9 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.508 -1.724 19792 4207 1 9 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.404 -3.542 19792 4208 1 9 . 1 1 23 23 GLU H H 23 10.151 10.151 8.875 1.276 19792 4209 1 9 . 1 1 24 24 LYS N N 24 118.897 118.897 117.878 1.019 19792 4210 1 9 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.353 -0.348 19792 4211 1 9 . 1 1 24 24 LYS C C 24 176.843 176.843 178.366 -1.523 19792 4212 1 9 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.854 -3.123 19792 4213 1 9 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.840 -2.469 19792 4214 1 9 . 1 1 24 24 LYS H H 24 7.839 7.839 8.273 -0.434 19792 4215 1 9 . 1 1 25 25 ALA N N 25 123.210 123.210 121.910 1.300 19792 4216 1 9 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.170 -0.001 19792 4217 1 9 . 1 1 25 25 ALA C C 25 178.048 178.048 179.839 -1.791 19792 4218 1 9 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.730 -2.862 19792 4219 1 9 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.404 -2.265 19792 4220 1 9 . 1 1 25 25 ALA H H 25 7.827 7.827 8.032 -0.205 19792 4221 1 9 . 1 1 26 26 LEU N N 26 116.466 116.466 118.848 -2.382 19792 4222 1 9 . 1 1 26 26 LEU HA H 26 4.024 4.024 4.112 -0.088 19792 4223 1 9 . 1 1 26 26 LEU C C 26 176.375 176.375 179.118 -2.743 19792 4224 1 9 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.349 -2.391 19792 4225 1 9 . 1 1 26 26 LEU CB C 26 39.701 39.701 40.898 -1.197 19792 4226 1 9 . 1 1 26 26 LEU H H 26 7.652 7.652 7.949 -0.297 19792 4227 1 9 . 1 1 27 27 GLU N N 27 119.789 119.789 118.949 0.840 19792 4228 1 9 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.861 -0.270 19792 4229 1 9 . 1 1 27 27 GLU C C 27 176.206 176.206 178.801 -2.595 19792 4230 1 9 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.784 -2.712 19792 4231 1 9 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.216 -2.149 19792 4232 1 9 . 1 1 27 27 GLU H H 27 8.480 8.480 8.258 0.222 19792 4233 1 9 . 1 1 28 28 ALA N N 28 120.599 120.599 120.410 0.189 19792 4234 1 9 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.219 -0.180 19792 4235 1 9 . 1 1 28 28 ALA C C 28 177.506 177.506 179.056 -1.550 19792 4236 1 9 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.595 -2.688 19792 4237 1 9 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.507 -3.100 19792 4238 1 9 . 1 1 28 28 ALA H H 28 7.837 7.837 7.368 0.469 19792 4239 1 9 . 1 1 29 29 VAL N N 29 115.536 115.536 118.517 -2.981 19792 4240 1 9 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.720 0.106 19792 4241 1 9 . 1 1 29 29 VAL C C 29 174.998 174.998 178.456 -3.458 19792 4242 1 9 . 1 1 29 29 VAL CA C 29 61.999 61.999 65.928 -3.929 19792 4243 1 9 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.973 -2.095 19792 4244 1 9 . 1 1 29 29 VAL H H 29 7.626 7.626 7.345 0.281 19792 4245 1 9 . 1 1 30 30 PHE N N 30 115.465 115.465 116.791 -1.326 19792 4246 1 9 . 1 1 30 30 PHE HA H 30 4.482 4.482 4.898 -0.416 19792 4247 1 9 . 1 1 30 30 PHE C C 30 174.725 174.725 177.909 -3.184 19792 4248 1 9 . 1 1 30 30 PHE CA C 30 59.628 59.628 59.460 0.168 19792 4249 1 9 . 1 1 30 30 PHE CB C 30 35.394 35.394 38.740 -3.346 19792 4250 1 9 . 1 1 30 30 PHE H H 30 8.514 8.514 8.788 -0.274 19792 4251 1 9 . 1 1 31 31 GLY N N 31 108.299 108.299 108.559 -0.260 19792 4252 1 9 . 1 1 31 31 GLY C C 31 172.455 172.455 175.360 -2.905 19792 4253 1 9 . 1 1 31 31 GLY CA C 31 43.505 43.505 47.308 -3.803 19792 4254 1 9 . 1 1 31 31 GLY H H 31 8.294 8.294 8.327 -0.033 19792 4255 1 9 . 1 1 32 32 LYS N N 32 117.309 117.309 120.809 -3.500 19792 4256 1 9 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.016 -0.090 19792 4257 1 9 . 1 1 32 32 LYS C C 32 174.779 174.779 178.380 -3.601 19792 4258 1 9 . 1 1 32 32 LYS CA C 32 54.700 54.700 58.234 -3.534 19792 4259 1 9 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.723 -2.788 19792 4260 1 9 . 1 1 32 32 LYS H H 32 6.846 6.846 8.087 -1.241 19792 4261 1 9 . 1 1 33 33 TYR N N 33 115.635 115.635 120.172 -4.537 19792 4262 1 9 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.245 -0.128 19792 4263 1 9 . 1 1 33 33 TYR C C 33 171.935 171.935 177.160 -5.225 19792 4264 1 9 . 1 1 33 33 TYR CA C 33 56.609 56.609 60.315 -3.705 19792 4265 1 9 . 1 1 33 33 TYR CB C 33 35.735 35.735 38.781 -3.046 19792 4266 1 9 . 1 1 33 33 TYR H H 33 7.593 7.593 8.150 -0.557 19792 4267 1 9 . 1 1 34 34 GLY N N 34 104.503 104.503 104.332 0.171 19792 4268 1 9 . 1 1 34 34 GLY C C 34 168.962 168.962 173.073 -4.111 19792 4269 1 9 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.055 -3.492 19792 4270 1 9 . 1 1 34 34 GLY H H 34 7.253 7.253 8.384 -1.131 19792 4271 1 9 . 1 1 35 35 ARG N N 35 116.679 116.679 118.986 -2.307 19792 4272 1 9 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.012 0.103 19792 4273 1 9 . 1 1 35 35 ARG C C 35 174.272 174.272 174.335 -0.063 19792 4274 1 9 . 1 1 35 35 ARG CA C 35 54.785 54.785 56.596 -1.811 19792 4275 1 9 . 1 1 35 35 ARG CB C 35 27.958 27.958 29.849 -1.891 19792 4276 1 9 . 1 1 35 35 ARG H H 35 8.196 8.196 8.044 0.152 19792 4277 1 9 . 1 1 36 36 ILE N N 36 128.885 128.885 125.639 3.246 19792 4278 1 9 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.127 -0.300 19792 4279 1 9 . 1 1 36 36 ILE C C 36 173.725 173.725 176.503 -2.778 19792 4280 1 9 . 1 1 36 36 ILE CA C 36 57.740 57.740 61.949 -4.209 19792 4281 1 9 . 1 1 36 36 ILE CB C 36 37.006 37.006 38.997 -1.991 19792 4282 1 9 . 1 1 36 36 ILE H H 36 8.760 8.760 8.740 0.020 19792 4283 1 9 . 1 1 37 37 VAL N N 37 122.612 122.612 120.826 1.786 19792 4284 1 9 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.353 -0.270 19792 4285 1 9 . 1 1 37 37 VAL C C 37 172.917 172.917 175.162 -2.245 19792 4286 1 9 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.435 -2.090 19792 4287 1 9 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.619 -3.244 19792 4288 1 9 . 1 1 37 37 VAL H H 37 8.751 8.751 8.463 0.288 19792 4289 1 9 . 1 1 38 38 GLU N N 38 118.683 118.683 121.218 -2.535 19792 4290 1 9 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.511 -0.143 19792 4291 1 9 . 1 1 38 38 GLU C C 38 170.647 170.647 174.255 -3.608 19792 4292 1 9 . 1 1 38 38 GLU CA C 38 53.636 53.636 56.251 -2.615 19792 4293 1 9 . 1 1 38 38 GLU CB C 38 31.112 31.112 31.473 -0.360 19792 4294 1 9 . 1 1 38 38 GLU H H 38 7.075 7.075 8.169 -1.094 19792 4295 1 9 . 1 1 39 39 VAL N N 39 125.880 125.880 122.815 3.065 19792 4296 1 9 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.192 0.127 19792 4297 1 9 . 1 1 39 39 VAL C C 39 170.693 170.693 174.459 -3.766 19792 4298 1 9 . 1 1 39 39 VAL CA C 39 59.056 59.056 60.701 -1.645 19792 4299 1 9 . 1 1 39 39 VAL CB C 39 31.077 31.077 34.264 -3.187 19792 4300 1 9 . 1 1 39 39 VAL H H 39 8.509 8.509 8.342 0.167 19792 4301 1 9 . 1 1 40 40 LEU N N 40 129.331 129.331 124.604 4.727 19792 4302 1 9 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.986 -0.311 19792 4303 1 9 . 1 1 40 40 LEU C C 40 171.627 171.627 174.519 -2.892 19792 4304 1 9 . 1 1 40 40 LEU CA C 40 50.744 50.744 54.145 -3.401 19792 4305 1 9 . 1 1 40 40 LEU CB C 40 42.066 42.066 46.901 -4.835 19792 4306 1 9 . 1 1 40 40 LEU H H 40 8.928 8.928 8.309 0.619 19792 4307 1 9 . 1 1 41 41 LEU N N 41 128.574 128.574 122.736 5.838 19792 4308 1 9 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.602 -0.262 19792 4309 1 9 . 1 1 41 41 LEU C C 41 172.935 172.935 175.091 -2.156 19792 4310 1 9 . 1 1 41 41 LEU CA C 41 50.876 50.876 53.841 -2.965 19792 4311 1 9 . 1 1 41 41 LEU CB C 41 41.547 41.547 46.303 -4.756 19792 4312 1 9 . 1 1 41 41 LEU H H 41 9.023 9.023 8.140 0.883 19792 4313 1 9 . 1 1 42 42 MET N N 42 125.617 125.617 122.141 3.476 19792 4314 1 9 . 1 1 42 42 MET HA H 42 4.357 4.357 4.771 -0.414 19792 4315 1 9 . 1 1 42 42 MET C C 42 172.606 172.606 174.661 -2.055 19792 4316 1 9 . 1 1 42 42 MET CA C 42 51.857 51.857 54.397 -2.539 19792 4317 1 9 . 1 1 42 42 MET CB C 42 27.700 27.700 33.054 -5.354 19792 4318 1 9 . 1 1 42 42 MET H H 42 7.988 7.988 8.528 -0.540 19792 4319 1 9 . 1 1 43 43 LYS N N 43 121.956 121.956 123.684 -1.728 19792 4320 1 9 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.715 0.044 19792 4321 1 9 . 1 1 43 43 LYS C C 43 173.591 173.591 175.549 -1.958 19792 4322 1 9 . 1 1 43 43 LYS CA C 43 51.608 51.608 55.221 -3.613 19792 4323 1 9 . 1 1 43 43 LYS CB C 43 33.447 33.447 34.700 -1.252 19792 4324 1 9 . 1 1 43 43 LYS H H 43 8.289 8.289 8.403 -0.114 19792 4325 1 9 . 1 1 44 44 ASP N N 44 123.608 123.608 125.032 -1.424 19792 4326 1 9 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.635 -0.164 19792 4327 1 9 . 1 1 44 44 ASP C C 44 174.790 174.790 177.073 -2.283 19792 4328 1 9 . 1 1 44 44 ASP CA C 44 51.279 51.279 54.953 -3.674 19792 4329 1 9 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.537 -2.360 19792 4330 1 9 . 1 1 44 44 ASP H H 44 8.693 8.693 8.684 0.009 19792 4331 1 9 . 1 1 45 45 ARG N N 45 126.884 126.884 126.280 0.604 19792 4332 1 9 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.059 -0.083 19792 4333 1 9 . 1 1 45 45 ARG C C 45 174.578 174.578 177.709 -3.131 19792 4334 1 9 . 1 1 45 45 ARG CA C 45 55.637 55.637 58.346 -2.709 19792 4335 1 9 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.073 -2.529 19792 4336 1 9 . 1 1 45 45 ARG H H 45 8.875 8.875 8.717 0.158 19792 4337 1 9 . 1 1 46 46 GLU N N 46 117.313 117.313 117.722 -0.409 19792 4338 1 9 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.164 0.018 19792 4339 1 9 . 1 1 46 46 GLU C C 46 175.625 175.625 177.449 -1.824 19792 4340 1 9 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.625 -2.997 19792 4341 1 9 . 1 1 46 46 GLU CB C 46 27.597 27.597 29.926 -2.329 19792 4342 1 9 . 1 1 46 46 GLU H H 46 8.561 8.561 8.363 0.198 19792 4343 1 9 . 1 1 47 47 THR N N 47 107.019 107.019 109.682 -2.663 19792 4344 1 9 . 1 1 47 47 THR HA H 47 4.277 4.277 4.404 -0.127 19792 4345 1 9 . 1 1 47 47 THR C C 47 173.242 173.242 173.364 -0.122 19792 4346 1 9 . 1 1 47 47 THR CA C 47 58.709 58.709 61.895 -3.186 19792 4347 1 9 . 1 1 47 47 THR CB C 47 67.971 67.971 69.168 -1.196 19792 4348 1 9 . 1 1 47 47 THR H H 47 8.053 8.053 7.694 0.359 19792 4349 1 9 . 1 1 48 48 ASN N N 48 117.468 117.468 117.552 -0.084 19792 4350 1 9 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.361 -0.026 19792 4351 1 9 . 1 1 48 48 ASN C C 48 171.106 171.106 174.631 -3.525 19792 4352 1 9 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.657 -2.526 19792 4353 1 9 . 1 1 48 48 ASN CB C 48 35.645 35.645 36.702 -1.057 19792 4354 1 9 . 1 1 48 48 ASN H H 48 8.230 8.230 8.111 0.119 19792 4355 1 9 . 1 1 49 49 LYS N N 49 117.523 117.523 117.925 -0.402 19792 4356 1 9 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.170 0.126 19792 4357 1 9 . 1 1 49 49 LYS C C 49 173.910 173.910 176.778 -2.868 19792 4358 1 9 . 1 1 49 49 LYS CA C 49 52.763 52.763 57.325 -4.562 19792 4359 1 9 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.474 -2.435 19792 4360 1 9 . 1 1 49 49 LYS H H 49 7.517 7.517 7.510 0.007 19792 4361 1 9 . 1 1 50 50 SER N N 50 115.960 115.960 116.475 -0.515 19792 4362 1 9 . 1 1 50 50 SER HA H 50 4.197 4.197 4.377 -0.180 19792 4363 1 9 . 1 1 50 50 SER C C 50 173.417 173.417 174.519 -1.102 19792 4364 1 9 . 1 1 50 50 SER CA C 50 55.614 55.614 59.431 -3.817 19792 4365 1 9 . 1 1 50 50 SER CB C 50 61.524 61.524 63.804 -2.280 19792 4366 1 9 . 1 1 50 50 SER H H 50 8.705 8.705 8.469 0.236 19792 4367 1 9 . 1 1 51 51 ARG N N 51 124.058 124.058 122.775 1.283 19792 4368 1 9 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.607 -0.299 19792 4369 1 9 . 1 1 51 51 ARG C C 51 174.657 174.657 177.089 -2.432 19792 4370 1 9 . 1 1 51 51 ARG CA C 51 53.393 53.393 54.442 -1.049 19792 4371 1 9 . 1 1 51 51 ARG CB C 51 28.779 28.779 31.601 -2.822 19792 4372 1 9 . 1 1 51 51 ARG H H 51 9.023 9.023 7.885 1.138 19792 4373 1 9 . 1 1 52 52 GLY N N 52 106.703 106.703 109.303 -2.600 19792 4374 1 9 . 1 1 52 52 GLY C C 52 168.863 168.863 173.195 -4.332 19792 4375 1 9 . 1 1 52 52 GLY CA C 52 42.919 42.919 44.733 -1.814 19792 4376 1 9 . 1 1 52 52 GLY H H 52 9.129 9.129 8.897 0.232 19792 4377 1 9 . 1 1 53 53 PHE N N 53 112.307 112.307 116.402 -4.095 19792 4378 1 9 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.146 0.097 19792 4379 1 9 . 1 1 53 53 PHE C C 53 169.552 169.552 172.372 -2.820 19792 4380 1 9 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.799 -2.704 19792 4381 1 9 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.734 -2.821 19792 4382 1 9 . 1 1 53 53 PHE H H 53 6.845 6.845 7.439 -0.594 19792 4383 1 9 . 1 1 54 54 ALA N N 54 120.987 120.987 120.803 0.184 19792 4384 1 9 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.153 0.741 19792 4385 1 9 . 1 1 54 54 ALA C C 54 171.062 171.062 174.035 -2.973 19792 4386 1 9 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.014 -3.966 19792 4387 1 9 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.291 0.534 19792 4388 1 9 . 1 1 54 54 ALA H H 54 8.970 8.970 7.997 0.973 19792 4389 1 9 . 1 1 55 55 PHE N N 55 114.157 114.157 118.066 -3.909 19792 4390 1 9 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.798 0.970 19792 4391 1 9 . 1 1 55 55 PHE C C 55 173.605 173.605 173.251 0.354 19792 4392 1 9 . 1 1 55 55 PHE CA C 55 53.080 53.080 57.200 -4.120 19792 4393 1 9 . 1 1 55 55 PHE CB C 55 40.029 40.029 43.419 -3.390 19792 4394 1 9 . 1 1 55 55 PHE H H 55 8.837 8.837 7.906 0.931 19792 4395 1 9 . 1 1 56 56 VAL N N 56 123.812 123.812 126.371 -2.559 19792 4396 1 9 . 1 1 56 56 VAL HA H 56 4.474 4.474 3.914 0.560 19792 4397 1 9 . 1 1 56 56 VAL C C 56 171.401 171.401 173.929 -2.528 19792 4398 1 9 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.785 -2.937 19792 4399 1 9 . 1 1 56 56 VAL CB C 56 32.527 32.527 34.218 -1.691 19792 4400 1 9 . 1 1 56 56 VAL H H 56 8.558 8.558 7.819 0.739 19792 4401 1 9 . 1 1 57 57 THR N N 57 123.000 123.000 121.821 1.179 19792 4402 1 9 . 1 1 57 57 THR HA H 57 4.974 4.974 4.563 0.411 19792 4403 1 9 . 1 1 57 57 THR C C 57 171.340 171.340 173.509 -2.169 19792 4404 1 9 . 1 1 57 57 THR CA C 57 58.659 58.659 60.941 -2.282 19792 4405 1 9 . 1 1 57 57 THR CB C 57 66.662 66.662 70.030 -3.368 19792 4406 1 9 . 1 1 57 57 THR H H 57 8.808 8.808 7.582 1.226 19792 4407 1 9 . 1 1 58 58 PHE N N 58 128.385 128.385 117.241 11.144 19792 4408 1 9 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.726 -0.043 19792 4409 1 9 . 1 1 58 58 PHE C C 58 172.367 172.367 176.229 -3.862 19792 4410 1 9 . 1 1 58 58 PHE CA C 58 55.449 55.449 57.028 -1.579 19792 4411 1 9 . 1 1 58 58 PHE CB C 58 37.909 37.909 42.789 -4.880 19792 4412 1 9 . 1 1 58 58 PHE H H 58 8.835 8.835 7.613 1.222 19792 4413 1 9 . 1 1 59 59 GLU N N 59 121.627 121.627 121.921 -0.294 19792 4414 1 9 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.143 -0.377 19792 4415 1 9 . 1 1 59 59 GLU C C 59 173.666 173.666 176.049 -2.383 19792 4416 1 9 . 1 1 59 59 GLU CA C 59 56.293 56.293 58.992 -2.699 19792 4417 1 9 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.283 -2.496 19792 4418 1 9 . 1 1 59 59 GLU H H 59 8.067 8.067 8.835 -0.768 19792 4419 1 9 . 1 1 60 60 SER N N 60 112.302 112.302 110.736 1.566 19792 4420 1 9 . 1 1 60 60 SER HA H 60 5.163 5.163 4.859 0.304 19792 4421 1 9 . 1 1 60 60 SER CA C 60 50.137 50.137 56.321 -6.184 19792 4422 1 9 . 1 1 60 60 SER CB C 60 61.350 61.350 65.050 -3.700 19792 4423 1 9 . 1 1 60 60 SER H H 60 9.333 9.333 7.884 1.449 19792 4424 1 9 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.412 -0.414 19792 4425 1 9 . 1 1 61 61 PRO CA C 61 61.850 61.850 65.239 -3.389 19792 4426 1 9 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.062 -2.671 19792 4427 1 9 . 1 1 62 62 ALA N N 62 121.088 121.088 121.974 -0.886 19792 4428 1 9 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.029 -0.097 19792 4429 1 9 . 1 1 62 62 ALA C C 62 176.826 176.826 179.492 -2.666 19792 4430 1 9 . 1 1 62 62 ALA CA C 62 52.266 52.266 54.886 -2.620 19792 4431 1 9 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.079 -2.461 19792 4432 1 9 . 1 1 62 62 ALA H H 62 7.821 7.821 8.324 -0.503 19792 4433 1 9 . 1 1 63 63 ASP N N 63 120.099 120.099 119.339 0.760 19792 4434 1 9 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.226 -0.134 19792 4435 1 9 . 1 1 63 63 ASP C C 63 174.505 174.505 177.655 -3.150 19792 4436 1 9 . 1 1 63 63 ASP CA C 63 53.809 53.809 57.460 -3.651 19792 4437 1 9 . 1 1 63 63 ASP CB C 63 37.374 37.374 40.162 -2.788 19792 4438 1 9 . 1 1 63 63 ASP H H 63 6.960 6.960 8.347 -1.387 19792 4439 1 9 . 1 1 64 64 ALA N N 64 119.533 119.533 122.693 -3.160 19792 4440 1 9 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.631 -0.490 19792 4441 1 9 . 1 1 64 64 ALA C C 64 176.037 176.037 179.096 -3.059 19792 4442 1 9 . 1 1 64 64 ALA CA C 64 51.399 51.399 54.787 -3.388 19792 4443 1 9 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.575 -3.010 19792 4444 1 9 . 1 1 64 64 ALA H H 64 6.771 6.771 7.432 -0.661 19792 4445 1 9 . 1 1 65 65 LYS N N 65 117.395 117.395 118.565 -1.170 19792 4446 1 9 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.947 -0.220 19792 4447 1 9 . 1 1 65 65 LYS C C 65 176.716 176.716 178.987 -2.271 19792 4448 1 9 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.673 -2.989 19792 4449 1 9 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.133 -2.950 19792 4450 1 9 . 1 1 65 65 LYS H H 65 7.478 7.478 7.842 -0.364 19792 4451 1 9 . 1 1 66 66 ASP N N 66 120.839 120.839 118.689 2.150 19792 4452 1 9 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.548 -0.365 19792 4453 1 9 . 1 1 66 66 ASP C C 66 175.111 175.111 178.354 -3.243 19792 4454 1 9 . 1 1 66 66 ASP CA C 66 54.430 54.430 56.866 -2.436 19792 4455 1 9 . 1 1 66 66 ASP CB C 66 37.720 37.720 41.202 -3.482 19792 4456 1 9 . 1 1 66 66 ASP H H 66 7.403 7.403 7.933 -0.530 19792 4457 1 9 . 1 1 67 67 ALA N N 67 122.056 122.056 121.822 0.234 19792 4458 1 9 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.532 -1.372 19792 4459 1 9 . 1 1 67 67 ALA C C 67 176.448 176.448 179.290 -2.842 19792 4460 1 9 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.313 -3.014 19792 4461 1 9 . 1 1 67 67 ALA CB C 67 17.253 17.253 17.826 -0.573 19792 4462 1 9 . 1 1 67 67 ALA H H 67 7.737 7.737 7.492 0.245 19792 4463 1 9 . 1 1 68 68 ALA N N 68 118.624 118.624 118.625 -0.001 19792 4464 1 9 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.166 -0.467 19792 4465 1 9 . 1 1 68 68 ALA C C 68 176.619 176.619 177.470 -0.851 19792 4466 1 9 . 1 1 68 68 ALA CA C 68 52.280 52.280 53.437 -1.157 19792 4467 1 9 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.716 -3.867 19792 4468 1 9 . 1 1 68 68 ALA H H 68 8.108 8.108 7.494 0.614 19792 4469 1 9 . 1 1 69 69 ARG N N 69 116.265 116.265 115.207 1.058 19792 4470 1 9 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.726 -0.794 19792 4471 1 9 . 1 1 69 69 ARG C C 69 175.857 175.857 175.898 -0.041 19792 4472 1 9 . 1 1 69 69 ARG CA C 69 55.734 55.734 56.495 -0.761 19792 4473 1 9 . 1 1 69 69 ARG CB C 69 27.249 27.249 32.115 -4.866 19792 4474 1 9 . 1 1 69 69 ARG H H 69 7.599 7.599 7.949 -0.350 19792 4475 1 9 . 1 1 70 70 ASP N N 70 116.202 116.202 119.789 -3.587 19792 4476 1 9 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.760 -0.205 19792 4477 1 9 . 1 1 70 70 ASP C C 70 174.867 174.867 176.771 -1.904 19792 4478 1 9 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.319 -2.005 19792 4479 1 9 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.616 -1.777 19792 4480 1 9 . 1 1 70 70 ASP H H 70 7.657 7.657 7.989 -0.332 19792 4481 1 9 . 1 1 71 71 MET N N 71 111.561 111.561 120.776 -9.215 19792 4482 1 9 . 1 1 71 71 MET HA H 71 4.742 4.742 4.453 0.289 19792 4483 1 9 . 1 1 71 71 MET C C 71 175.174 175.174 175.953 -0.779 19792 4484 1 9 . 1 1 71 71 MET CA C 71 50.378 50.378 56.352 -5.974 19792 4485 1 9 . 1 1 71 71 MET CB C 71 29.047 29.047 32.616 -3.569 19792 4486 1 9 . 1 1 71 71 MET H H 71 8.069 8.069 8.135 -0.066 19792 4487 1 9 . 1 1 72 72 ASN N N 72 116.196 116.196 115.731 0.465 19792 4488 1 9 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.642 -0.361 19792 4489 1 9 . 1 1 72 72 ASN C C 72 173.812 173.812 175.064 -1.252 19792 4490 1 9 . 1 1 72 72 ASN CA C 72 53.826 53.826 53.849 -0.023 19792 4491 1 9 . 1 1 72 72 ASN CB C 72 35.885 35.885 36.714 -0.829 19792 4492 1 9 . 1 1 72 72 ASN H H 72 7.442 7.442 8.324 -0.882 19792 4493 1 9 . 1 1 73 73 GLY N N 73 116.956 116.956 108.726 8.230 19792 4494 1 9 . 1 1 73 73 GLY C C 73 171.629 171.629 174.243 -2.614 19792 4495 1 9 . 1 1 73 73 GLY CA C 73 43.091 43.091 44.892 -1.802 19792 4496 1 9 . 1 1 73 73 GLY H H 73 8.884 8.884 8.462 0.422 19792 4497 1 9 . 1 1 74 74 LYS N N 74 120.829 120.829 121.082 -0.253 19792 4498 1 9 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.294 -0.054 19792 4499 1 9 . 1 1 74 74 LYS C C 74 172.132 172.132 176.018 -3.886 19792 4500 1 9 . 1 1 74 74 LYS CA C 74 52.333 52.333 56.682 -4.349 19792 4501 1 9 . 1 1 74 74 LYS CB C 74 30.131 30.131 33.280 -3.149 19792 4502 1 9 . 1 1 74 74 LYS H H 74 7.797 7.797 7.655 0.142 19792 4503 1 9 . 1 1 75 75 SER N N 75 112.883 112.883 115.093 -2.210 19792 4504 1 9 . 1 1 75 75 SER HA H 75 4.940 4.940 5.042 -0.102 19792 4505 1 9 . 1 1 75 75 SER C C 75 171.838 171.838 174.225 -2.387 19792 4506 1 9 . 1 1 75 75 SER CA C 75 54.722 54.722 57.840 -3.118 19792 4507 1 9 . 1 1 75 75 SER CB C 75 61.242 61.242 64.183 -2.941 19792 4508 1 9 . 1 1 75 75 SER H H 75 8.037 8.037 8.346 -0.309 19792 4509 1 9 . 1 1 76 76 LEU N N 76 127.669 127.669 124.091 3.578 19792 4510 1 9 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.652 -0.216 19792 4511 1 9 . 1 1 76 76 LEU C C 76 173.849 173.849 175.603 -1.754 19792 4512 1 9 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.575 -3.800 19792 4513 1 9 . 1 1 76 76 LEU CB C 76 41.886 41.886 44.027 -2.141 19792 4514 1 9 . 1 1 76 76 LEU H H 76 8.988 8.988 8.489 0.499 19792 4515 1 9 . 1 1 77 77 ASP N N 77 129.054 129.054 125.745 3.309 19792 4516 1 9 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.376 -0.202 19792 4517 1 9 . 1 1 77 77 ASP C C 77 173.415 173.415 176.319 -2.904 19792 4518 1 9 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.689 -2.813 19792 4519 1 9 . 1 1 77 77 ASP CB C 77 36.413 36.413 39.630 -3.217 19792 4520 1 9 . 1 1 77 77 ASP H H 77 9.523 9.523 9.158 0.365 19792 4521 1 9 . 1 1 78 78 GLY N N 78 101.915 101.915 102.860 -0.945 19792 4522 1 9 . 1 1 78 78 GLY C C 78 170.989 170.989 173.934 -2.945 19792 4523 1 9 . 1 1 78 78 GLY CA C 78 42.769 42.769 44.857 -2.088 19792 4524 1 9 . 1 1 78 78 GLY H H 78 8.396 8.396 8.077 0.319 19792 4525 1 9 . 1 1 79 79 LYS N N 79 119.791 119.791 121.902 -2.111 19792 4526 1 9 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.684 -0.138 19792 4527 1 9 . 1 1 79 79 LYS C C 79 171.513 171.513 175.363 -3.850 19792 4528 1 9 . 1 1 79 79 LYS CA C 79 50.277 50.277 54.200 -3.923 19792 4529 1 9 . 1 1 79 79 LYS CB C 79 31.955 31.955 33.848 -1.893 19792 4530 1 9 . 1 1 79 79 LYS H H 79 7.269 7.269 8.069 -0.800 19792 4531 1 9 . 1 1 80 80 ALA N N 80 125.002 125.002 128.443 -3.441 19792 4532 1 9 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.629 -0.264 19792 4533 1 9 . 1 1 80 80 ALA C C 80 175.007 175.007 177.405 -2.398 19792 4534 1 9 . 1 1 80 80 ALA CA C 80 48.381 48.381 51.316 -2.935 19792 4535 1 9 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.047 -2.832 19792 4536 1 9 . 1 1 80 80 ALA H H 80 8.235 8.235 8.614 -0.379 19792 4537 1 9 . 1 1 81 81 ILE N N 81 119.947 119.947 120.151 -0.204 19792 4538 1 9 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.731 -0.117 19792 4539 1 9 . 1 1 81 81 ILE C C 81 172.389 172.389 175.094 -2.705 19792 4540 1 9 . 1 1 81 81 ILE CA C 81 57.921 57.921 60.906 -2.985 19792 4541 1 9 . 1 1 81 81 ILE CB C 81 37.547 37.547 39.357 -1.810 19792 4542 1 9 . 1 1 81 81 ILE H H 81 8.204 8.204 7.660 0.544 19792 4543 1 9 . 1 1 82 82 LYS N N 82 123.700 123.700 120.300 3.400 19792 4544 1 9 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.735 0.111 19792 4545 1 9 . 1 1 82 82 LYS C C 82 172.571 172.571 174.211 -1.640 19792 4546 1 9 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.625 -4.284 19792 4547 1 9 . 1 1 82 82 LYS CB C 82 31.948 31.948 36.626 -4.678 19792 4548 1 9 . 1 1 82 82 LYS H H 82 8.460 8.460 8.654 -0.194 19792 4549 1 9 . 1 1 83 83 VAL N N 83 123.707 123.707 125.014 -1.307 19792 4550 1 9 . 1 1 83 83 VAL HA H 83 5.068 5.068 4.982 0.086 19792 4551 1 9 . 1 1 83 83 VAL C C 83 171.831 171.831 174.961 -3.130 19792 4552 1 9 . 1 1 83 83 VAL CA C 83 57.954 57.954 60.486 -2.532 19792 4553 1 9 . 1 1 83 83 VAL CB C 83 31.979 31.979 32.245 -0.265 19792 4554 1 9 . 1 1 83 83 VAL H H 83 8.653 8.653 8.573 0.080 19792 4555 1 9 . 1 1 84 84 GLU N N 84 123.150 123.150 125.275 -2.125 19792 4556 1 9 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.875 -0.191 19792 4557 1 9 . 1 1 84 84 GLU C C 84 172.141 172.141 174.869 -2.728 19792 4558 1 9 . 1 1 84 84 GLU CA C 84 51.305 51.305 53.748 -2.443 19792 4559 1 9 . 1 1 84 84 GLU CB C 84 31.690 31.690 33.378 -1.688 19792 4560 1 9 . 1 1 84 84 GLU H H 84 8.977 8.977 9.201 -0.224 19792 4561 1 9 . 1 1 85 85 GLN N N 85 121.740 121.740 118.721 3.019 19792 4562 1 9 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.631 -0.382 19792 4563 1 9 . 1 1 85 85 GLN C C 85 173.263 173.263 174.957 -1.694 19792 4564 1 9 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.298 -0.041 19792 4565 1 9 . 1 1 85 85 GLN CB C 85 26.519 26.519 30.451 -3.932 19792 4566 1 9 . 1 1 85 85 GLN H H 85 8.835 8.835 8.710 0.125 19792 4567 1 9 . 1 1 86 86 ALA N N 86 127.885 127.885 130.231 -2.346 19792 4568 1 9 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.315 0.119 19792 4569 1 9 . 1 1 86 86 ALA C C 86 174.487 174.487 176.826 -2.339 19792 4570 1 9 . 1 1 86 86 ALA CA C 86 50.016 50.016 53.026 -3.010 19792 4571 1 9 . 1 1 86 86 ALA CB C 86 16.340 16.340 19.022 -2.682 19792 4572 1 9 . 1 1 86 86 ALA H H 86 8.608 8.608 8.902 -0.294 19792 4573 1 9 . 1 1 87 87 THR N N 87 113.372 113.372 119.766 -6.394 19792 4574 1 9 . 1 1 87 87 THR HA H 87 4.339 4.339 4.497 -0.158 19792 4575 1 9 . 1 1 87 87 THR C C 87 171.331 171.331 174.084 -2.753 19792 4576 1 9 . 1 1 87 87 THR CA C 87 58.219 58.219 60.516 -2.297 19792 4577 1 9 . 1 1 87 87 THR CB C 87 67.397 67.397 70.628 -3.231 19792 4578 1 9 . 1 1 87 87 THR H H 87 8.271 8.271 8.140 0.131 19792 4579 1 9 . 1 1 88 88 LYS N N 88 123.502 123.502 120.298 3.204 19792 4580 1 9 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.807 -0.334 19792 4581 1 9 . 1 1 88 88 LYS CA C 88 51.611 51.611 54.315 -2.704 19792 4582 1 9 . 1 1 88 88 LYS CB C 88 29.867 29.867 32.188 -2.321 19792 4583 1 9 . 1 1 88 88 LYS H H 88 8.203 8.203 8.032 0.171 19792 4584 1 9 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.545 -0.351 19792 4585 1 9 . 1 1 89 89 PRO C C 89 173.726 173.726 176.279 -2.553 19792 4586 1 9 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.851 -3.781 19792 4587 1 9 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.456 -3.141 19792 4588 1 9 . 1 1 90 90 SER N N 90 115.260 115.260 112.552 2.708 19792 4589 1 9 . 1 1 90 90 SER HA H 90 4.229 4.229 4.686 -0.457 19792 4590 1 9 . 1 1 90 90 SER C C 90 171.123 171.123 172.926 -1.803 19792 4591 1 9 . 1 1 90 90 SER CA C 90 55.017 55.017 57.594 -2.577 19792 4592 1 9 . 1 1 90 90 SER CB C 90 60.977 60.977 65.559 -4.582 19792 4593 1 9 . 1 1 90 90 SER H H 90 7.991 7.991 7.890 0.101 19792 4594 1 9 . 1 1 91 91 PHE N N 91 121.128 121.128 121.791 -0.663 19792 4595 1 9 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.726 -0.199 19792 4596 1 9 . 1 1 91 91 PHE C C 91 171.798 171.798 174.399 -2.601 19792 4597 1 9 . 1 1 91 91 PHE CA C 91 54.467 54.467 58.474 -4.007 19792 4598 1 9 . 1 1 91 91 PHE CB C 91 37.008 37.008 40.509 -3.501 19792 4599 1 9 . 1 1 91 91 PHE H H 91 8.004 8.004 8.892 -0.888 19792 4600 1 10 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.751 -0.155 19792 4601 1 10 . 1 1 2 2 HIS C C 2 171.930 171.930 174.693 -2.763 19792 4602 1 10 . 1 1 2 2 HIS CA C 2 52.879 52.879 55.503 -2.624 19792 4603 1 10 . 1 1 2 2 HIS CB C 2 27.693 27.693 30.491 -2.798 19792 4604 1 10 . 1 1 3 3 MET N N 3 122.778 122.778 121.356 1.422 19792 4605 1 10 . 1 1 3 3 MET HA H 3 4.365 4.365 4.678 -0.313 19792 4606 1 10 . 1 1 3 3 MET C C 3 173.051 173.051 175.263 -2.212 19792 4607 1 10 . 1 1 3 3 MET CA C 3 52.457 52.457 54.904 -2.447 19792 4608 1 10 . 1 1 3 3 MET CB C 3 30.267 30.267 34.872 -4.605 19792 4609 1 10 . 1 1 3 3 MET H H 3 8.407 8.407 8.368 0.039 19792 4610 1 10 . 1 1 4 4 VAL N N 4 121.985 121.985 119.245 2.740 19792 4611 1 10 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.378 -0.386 19792 4612 1 10 . 1 1 4 4 VAL C C 4 173.161 173.161 175.437 -2.276 19792 4613 1 10 . 1 1 4 4 VAL CA C 4 59.189 59.189 61.782 -2.594 19792 4614 1 10 . 1 1 4 4 VAL CB C 4 30.313 30.313 31.554 -1.241 19792 4615 1 10 . 1 1 4 4 VAL H H 4 8.170 8.170 8.437 -0.267 19792 4616 1 10 . 1 1 5 5 GLU N N 5 124.990 124.990 123.678 1.312 19792 4617 1 10 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.312 -0.150 19792 4618 1 10 . 1 1 5 5 GLU C C 5 173.208 173.208 175.502 -2.294 19792 4619 1 10 . 1 1 5 5 GLU CA C 5 53.271 53.271 55.943 -2.672 19792 4620 1 10 . 1 1 5 5 GLU CB C 5 27.861 27.861 27.618 0.243 19792 4621 1 10 . 1 1 5 5 GLU H H 5 8.469 8.469 8.671 -0.202 19792 4622 1 10 . 1 1 6 6 ALA N N 6 124.750 124.750 125.543 -0.793 19792 4623 1 10 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.512 -0.377 19792 4624 1 10 . 1 1 6 6 ALA C C 6 174.516 174.516 177.207 -2.691 19792 4625 1 10 . 1 1 6 6 ALA CA C 6 49.571 49.571 50.847 -1.276 19792 4626 1 10 . 1 1 6 6 ALA CB C 6 16.604 16.604 18.197 -1.593 19792 4627 1 10 . 1 1 6 6 ALA H H 6 8.229 8.229 8.055 0.174 19792 4628 1 10 . 1 1 7 7 ASP N N 7 119.477 119.477 121.882 -2.405 19792 4629 1 10 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.577 -0.147 19792 4630 1 10 . 1 1 7 7 ASP C C 7 173.005 173.005 175.793 -2.788 19792 4631 1 10 . 1 1 7 7 ASP CA C 7 51.032 51.032 54.355 -3.323 19792 4632 1 10 . 1 1 7 7 ASP CB C 7 38.658 38.658 40.248 -1.590 19792 4633 1 10 . 1 1 7 7 ASP H H 7 8.172 8.172 8.269 -0.097 19792 4634 1 10 . 1 1 8 8 ARG N N 8 121.454 121.454 118.935 2.519 19792 4635 1 10 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.728 -0.625 19792 4636 1 10 . 1 1 8 8 ARG CA C 8 54.708 54.708 52.669 2.039 19792 4637 1 10 . 1 1 8 8 ARG CB C 8 27.813 27.813 30.180 -2.367 19792 4638 1 10 . 1 1 8 8 ARG H H 8 8.168 8.168 7.268 0.900 19792 4639 1 10 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.653 -0.240 19792 4640 1 10 . 1 1 9 9 PRO C C 9 174.662 174.662 176.625 -1.963 19792 4641 1 10 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.788 -1.982 19792 4642 1 10 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.171 -0.700 19792 4643 1 10 . 1 1 10 10 GLY N N 10 108.287 108.287 110.222 -1.935 19792 4644 1 10 . 1 1 10 10 GLY C C 10 169.715 169.715 174.117 -4.402 19792 4645 1 10 . 1 1 10 10 GLY CA C 10 42.529 42.529 46.084 -3.555 19792 4646 1 10 . 1 1 10 10 GLY H H 10 8.769 8.769 8.348 0.421 19792 4647 1 10 . 1 1 11 11 LYS N N 11 122.177 122.177 119.645 2.532 19792 4648 1 10 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.566 0.298 19792 4649 1 10 . 1 1 11 11 LYS C C 11 172.419 172.419 176.365 -3.946 19792 4650 1 10 . 1 1 11 11 LYS CA C 11 53.417 53.417 57.370 -3.953 19792 4651 1 10 . 1 1 11 11 LYS CB C 11 32.058 32.058 33.380 -1.322 19792 4652 1 10 . 1 1 11 11 LYS H H 11 7.753 7.753 7.852 -0.099 19792 4653 1 10 . 1 1 12 12 LEU N N 12 127.116 127.116 119.399 7.717 19792 4654 1 10 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.787 0.152 19792 4655 1 10 . 1 1 12 12 LEU C C 12 173.185 173.185 175.565 -2.380 19792 4656 1 10 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.384 -3.083 19792 4657 1 10 . 1 1 12 12 LEU CB C 12 42.075 42.075 46.830 -4.755 19792 4658 1 10 . 1 1 12 12 LEU H H 12 9.465 9.465 8.179 1.286 19792 4659 1 10 . 1 1 13 13 PHE N N 13 122.922 122.922 121.145 1.777 19792 4660 1 10 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.943 -0.231 19792 4661 1 10 . 1 1 13 13 PHE C C 13 170.330 170.330 173.221 -2.891 19792 4662 1 10 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.605 -3.564 19792 4663 1 10 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.291 -4.771 19792 4664 1 10 . 1 1 13 13 PHE H H 13 9.213 9.213 8.488 0.725 19792 4665 1 10 . 1 1 14 14 ILE N N 14 128.128 128.128 125.481 2.647 19792 4666 1 10 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.380 -0.565 19792 4667 1 10 . 1 1 14 14 ILE C C 14 171.441 171.441 174.649 -3.208 19792 4668 1 10 . 1 1 14 14 ILE CA C 14 55.411 55.411 60.019 -4.608 19792 4669 1 10 . 1 1 14 14 ILE CB C 14 36.448 36.448 42.353 -5.905 19792 4670 1 10 . 1 1 14 14 ILE H H 14 8.304 8.304 8.074 0.230 19792 4671 1 10 . 1 1 15 15 GLY N N 15 110.945 110.945 111.173 -0.228 19792 4672 1 10 . 1 1 15 15 GLY C C 15 170.863 170.863 174.202 -3.339 19792 4673 1 10 . 1 1 15 15 GLY CA C 15 40.913 40.913 44.152 -3.239 19792 4674 1 10 . 1 1 15 15 GLY H H 15 8.965 8.965 8.848 0.117 19792 4675 1 10 . 1 1 16 16 GLY N N 16 107.025 107.025 107.671 -0.646 19792 4676 1 10 . 1 1 16 16 GLY C C 16 172.134 172.134 174.676 -2.542 19792 4677 1 10 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.868 -3.006 19792 4678 1 10 . 1 1 16 16 GLY H H 16 7.865 7.865 8.159 -0.294 19792 4679 1 10 . 1 1 17 17 LEU N N 17 115.104 115.104 118.320 -3.216 19792 4680 1 10 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.254 -0.342 19792 4681 1 10 . 1 1 17 17 LEU C C 17 176.024 176.024 176.678 -0.654 19792 4682 1 10 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.759 -3.176 19792 4683 1 10 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.426 -2.257 19792 4684 1 10 . 1 1 17 17 LEU H H 17 7.521 7.521 7.794 -0.273 19792 4685 1 10 . 1 1 18 18 ASN N N 18 120.666 120.666 119.238 1.428 19792 4686 1 10 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.823 -0.437 19792 4687 1 10 . 1 1 18 18 ASN C C 18 176.199 176.199 176.042 0.157 19792 4688 1 10 . 1 1 18 18 ASN CA C 18 50.302 50.302 52.750 -2.448 19792 4689 1 10 . 1 1 18 18 ASN CB C 18 35.692 35.692 40.475 -4.783 19792 4690 1 10 . 1 1 18 18 ASN H H 18 9.528 9.528 8.196 1.332 19792 4691 1 10 . 1 1 19 19 THR N N 19 123.230 123.230 114.378 8.852 19792 4692 1 10 . 1 1 19 19 THR HA H 19 3.699 3.699 4.254 -0.555 19792 4693 1 10 . 1 1 19 19 THR C C 19 172.195 172.195 174.946 -2.751 19792 4694 1 10 . 1 1 19 19 THR CA C 19 62.512 62.512 64.352 -1.840 19792 4695 1 10 . 1 1 19 19 THR CB C 19 65.438 65.438 68.887 -3.449 19792 4696 1 10 . 1 1 19 19 THR H H 19 8.809 8.809 8.549 0.260 19792 4697 1 10 . 1 1 20 20 GLU N N 20 118.055 118.055 119.330 -1.275 19792 4698 1 10 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.554 -0.378 19792 4699 1 10 . 1 1 20 20 GLU C C 20 174.826 174.826 176.002 -1.176 19792 4700 1 10 . 1 1 20 20 GLU CA C 20 53.181 53.181 54.907 -1.726 19792 4701 1 10 . 1 1 20 20 GLU CB C 20 27.076 27.076 29.946 -2.870 19792 4702 1 10 . 1 1 20 20 GLU H H 20 8.703 8.703 8.157 0.546 19792 4703 1 10 . 1 1 21 21 THR N N 21 119.209 119.209 117.644 1.565 19792 4704 1 10 . 1 1 21 21 THR HA H 21 3.930 3.930 4.247 -0.317 19792 4705 1 10 . 1 1 21 21 THR C C 21 171.688 171.688 173.517 -1.829 19792 4706 1 10 . 1 1 21 21 THR CA C 21 61.882 61.882 64.067 -2.184 19792 4707 1 10 . 1 1 21 21 THR CB C 21 65.397 65.397 69.725 -4.328 19792 4708 1 10 . 1 1 21 21 THR H H 21 7.514 7.514 7.700 -0.186 19792 4709 1 10 . 1 1 22 22 ASN N N 22 126.624 126.624 119.502 7.122 19792 4710 1 10 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.825 -0.056 19792 4711 1 10 . 1 1 22 22 ASN C C 22 172.032 172.032 175.716 -3.684 19792 4712 1 10 . 1 1 22 22 ASN CA C 22 47.706 47.706 51.944 -4.238 19792 4713 1 10 . 1 1 22 22 ASN CB C 22 37.373 37.373 40.550 -3.177 19792 4714 1 10 . 1 1 22 22 ASN H H 22 8.031 8.031 8.006 0.025 19792 4715 1 10 . 1 1 23 23 GLU N N 23 118.056 118.056 119.380 -1.324 19792 4716 1 10 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.892 -0.325 19792 4717 1 10 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.205 -1.421 19792 4718 1 10 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.469 -3.607 19792 4719 1 10 . 1 1 23 23 GLU H H 23 10.151 10.151 8.860 1.291 19792 4720 1 10 . 1 1 24 24 LYS N N 24 118.897 118.897 118.505 0.392 19792 4721 1 10 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.206 -0.201 19792 4722 1 10 . 1 1 24 24 LYS C C 24 176.843 176.843 178.261 -1.418 19792 4723 1 10 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.627 -2.896 19792 4724 1 10 . 1 1 24 24 LYS CB C 24 29.371 29.371 32.026 -2.655 19792 4725 1 10 . 1 1 24 24 LYS H H 24 7.839 7.839 8.071 -0.232 19792 4726 1 10 . 1 1 25 25 ALA N N 25 123.210 123.210 123.696 -0.486 19792 4727 1 10 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.157 0.012 19792 4728 1 10 . 1 1 25 25 ALA C C 25 178.048 178.048 179.788 -1.740 19792 4729 1 10 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.796 -2.928 19792 4730 1 10 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.295 -2.156 19792 4731 1 10 . 1 1 25 25 ALA H H 25 7.827 7.827 7.861 -0.034 19792 4732 1 10 . 1 1 26 26 LEU N N 26 116.466 116.466 119.616 -3.150 19792 4733 1 10 . 1 1 26 26 LEU HA H 26 4.024 4.024 4.054 -0.030 19792 4734 1 10 . 1 1 26 26 LEU C C 26 176.375 176.375 179.273 -2.898 19792 4735 1 10 . 1 1 26 26 LEU CA C 26 54.958 54.958 58.246 -3.288 19792 4736 1 10 . 1 1 26 26 LEU CB C 26 39.701 39.701 40.746 -1.045 19792 4737 1 10 . 1 1 26 26 LEU H H 26 7.652 7.652 8.594 -0.942 19792 4738 1 10 . 1 1 27 27 GLU N N 27 119.789 119.789 118.441 1.348 19792 4739 1 10 . 1 1 27 27 GLU HA H 27 3.591 3.591 4.009 -0.418 19792 4740 1 10 . 1 1 27 27 GLU C C 27 176.206 176.206 178.948 -2.742 19792 4741 1 10 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.763 -2.691 19792 4742 1 10 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.397 -2.330 19792 4743 1 10 . 1 1 27 27 GLU H H 27 8.480 8.480 7.915 0.565 19792 4744 1 10 . 1 1 28 28 ALA N N 28 120.599 120.599 121.012 -0.413 19792 4745 1 10 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.097 -0.058 19792 4746 1 10 . 1 1 28 28 ALA C C 28 177.506 177.506 179.396 -1.890 19792 4747 1 10 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.781 -2.874 19792 4748 1 10 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.393 -2.986 19792 4749 1 10 . 1 1 28 28 ALA H H 28 7.837 7.837 7.577 0.260 19792 4750 1 10 . 1 1 29 29 VAL N N 29 115.536 115.536 118.609 -3.073 19792 4751 1 10 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.615 0.211 19792 4752 1 10 . 1 1 29 29 VAL C C 29 174.998 174.998 177.011 -2.013 19792 4753 1 10 . 1 1 29 29 VAL CA C 29 61.999 61.999 66.140 -4.141 19792 4754 1 10 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.633 -1.755 19792 4755 1 10 . 1 1 29 29 VAL H H 29 7.626 7.626 7.788 -0.162 19792 4756 1 10 . 1 1 30 30 PHE N N 30 115.465 115.465 115.293 0.172 19792 4757 1 10 . 1 1 30 30 PHE HA H 30 4.482 4.482 5.057 -0.575 19792 4758 1 10 . 1 1 30 30 PHE C C 30 174.725 174.725 176.733 -2.008 19792 4759 1 10 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.801 0.827 19792 4760 1 10 . 1 1 30 30 PHE CB C 30 35.394 35.394 40.919 -5.525 19792 4761 1 10 . 1 1 30 30 PHE H H 30 8.514 8.514 7.991 0.523 19792 4762 1 10 . 1 1 31 31 GLY N N 31 108.299 108.299 107.152 1.147 19792 4763 1 10 . 1 1 31 31 GLY C C 31 172.455 172.455 174.311 -1.856 19792 4764 1 10 . 1 1 31 31 GLY CA C 31 43.505 43.505 45.345 -1.840 19792 4765 1 10 . 1 1 31 31 GLY H H 31 8.294 8.294 8.528 -0.234 19792 4766 1 10 . 1 1 32 32 LYS N N 32 117.309 117.309 117.850 -0.541 19792 4767 1 10 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.377 -0.451 19792 4768 1 10 . 1 1 32 32 LYS C C 32 174.779 174.779 176.358 -1.579 19792 4769 1 10 . 1 1 32 32 LYS CA C 32 54.700 54.700 56.141 -1.441 19792 4770 1 10 . 1 1 32 32 LYS CB C 32 28.935 28.935 32.736 -3.801 19792 4771 1 10 . 1 1 32 32 LYS H H 32 6.846 6.846 8.014 -1.168 19792 4772 1 10 . 1 1 33 33 TYR N N 33 115.635 115.635 120.919 -5.284 19792 4773 1 10 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.523 -0.406 19792 4774 1 10 . 1 1 33 33 TYR C C 33 171.935 171.935 176.788 -4.853 19792 4775 1 10 . 1 1 33 33 TYR CA C 33 56.609 56.609 59.524 -2.915 19792 4776 1 10 . 1 1 33 33 TYR CB C 33 35.735 35.735 39.702 -3.967 19792 4777 1 10 . 1 1 33 33 TYR H H 33 7.593 7.593 7.760 -0.167 19792 4778 1 10 . 1 1 34 34 GLY N N 34 104.503 104.503 104.614 -0.111 19792 4779 1 10 . 1 1 34 34 GLY C C 34 168.962 168.962 172.792 -3.830 19792 4780 1 10 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.221 -3.658 19792 4781 1 10 . 1 1 34 34 GLY H H 34 7.253 7.253 7.612 -0.359 19792 4782 1 10 . 1 1 35 35 ARG N N 35 116.679 116.679 121.197 -4.518 19792 4783 1 10 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.638 -0.523 19792 4784 1 10 . 1 1 35 35 ARG C C 35 174.272 174.272 175.703 -1.431 19792 4785 1 10 . 1 1 35 35 ARG CA C 35 54.785 54.785 55.352 -0.567 19792 4786 1 10 . 1 1 35 35 ARG CB C 35 27.958 27.958 30.507 -2.549 19792 4787 1 10 . 1 1 35 35 ARG H H 35 8.196 8.196 8.773 -0.577 19792 4788 1 10 . 1 1 36 36 ILE N N 36 128.885 128.885 125.161 3.724 19792 4789 1 10 . 1 1 36 36 ILE HA H 36 3.827 3.827 3.904 -0.077 19792 4790 1 10 . 1 1 36 36 ILE C C 36 173.725 173.725 176.153 -2.428 19792 4791 1 10 . 1 1 36 36 ILE CA C 36 57.740 57.740 62.204 -4.464 19792 4792 1 10 . 1 1 36 36 ILE CB C 36 37.006 37.006 38.864 -1.858 19792 4793 1 10 . 1 1 36 36 ILE H H 36 8.760 8.760 8.678 0.082 19792 4794 1 10 . 1 1 37 37 VAL N N 37 122.612 122.612 124.082 -1.470 19792 4795 1 10 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.258 -0.175 19792 4796 1 10 . 1 1 37 37 VAL C C 37 172.917 172.917 174.467 -1.550 19792 4797 1 10 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.862 -2.516 19792 4798 1 10 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.556 -3.181 19792 4799 1 10 . 1 1 37 37 VAL H H 37 8.751 8.751 8.551 0.200 19792 4800 1 10 . 1 1 38 38 GLU N N 38 118.683 118.683 119.913 -1.230 19792 4801 1 10 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.485 -0.117 19792 4802 1 10 . 1 1 38 38 GLU C C 38 170.647 170.647 174.009 -3.362 19792 4803 1 10 . 1 1 38 38 GLU CA C 38 53.636 53.636 55.178 -1.542 19792 4804 1 10 . 1 1 38 38 GLU CB C 38 31.112 31.112 33.536 -2.424 19792 4805 1 10 . 1 1 38 38 GLU H H 38 7.075 7.075 7.506 -0.431 19792 4806 1 10 . 1 1 39 39 VAL N N 39 125.880 125.880 123.884 1.996 19792 4807 1 10 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.168 0.151 19792 4808 1 10 . 1 1 39 39 VAL C C 39 170.693 170.693 174.900 -4.207 19792 4809 1 10 . 1 1 39 39 VAL CA C 39 59.056 59.056 62.090 -3.034 19792 4810 1 10 . 1 1 39 39 VAL CB C 39 31.077 31.077 31.989 -0.912 19792 4811 1 10 . 1 1 39 39 VAL H H 39 8.509 8.509 8.501 0.008 19792 4812 1 10 . 1 1 40 40 LEU N N 40 129.331 129.331 125.587 3.744 19792 4813 1 10 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.341 0.334 19792 4814 1 10 . 1 1 40 40 LEU C C 40 171.627 171.627 175.213 -3.586 19792 4815 1 10 . 1 1 40 40 LEU CA C 40 50.744 50.744 54.283 -3.539 19792 4816 1 10 . 1 1 40 40 LEU CB C 40 42.066 42.066 41.332 0.734 19792 4817 1 10 . 1 1 40 40 LEU H H 40 8.928 8.928 8.229 0.699 19792 4818 1 10 . 1 1 41 41 LEU N N 41 128.574 128.574 126.187 2.387 19792 4819 1 10 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.345 -0.005 19792 4820 1 10 . 1 1 41 41 LEU C C 41 172.935 172.935 175.558 -2.623 19792 4821 1 10 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.218 -3.341 19792 4822 1 10 . 1 1 41 41 LEU CB C 41 41.547 41.547 43.094 -1.547 19792 4823 1 10 . 1 1 41 41 LEU H H 41 9.023 9.023 7.754 1.269 19792 4824 1 10 . 1 1 42 42 MET N N 42 125.617 125.617 126.096 -0.479 19792 4825 1 10 . 1 1 42 42 MET HA H 42 4.357 4.357 4.296 0.061 19792 4826 1 10 . 1 1 42 42 MET C C 42 172.606 172.606 175.131 -2.525 19792 4827 1 10 . 1 1 42 42 MET CA C 42 51.857 51.857 54.258 -2.401 19792 4828 1 10 . 1 1 42 42 MET CB C 42 27.700 27.700 30.527 -2.827 19792 4829 1 10 . 1 1 42 42 MET H H 42 7.988 7.988 8.097 -0.109 19792 4830 1 10 . 1 1 43 43 LYS N N 43 121.956 121.956 123.418 -1.462 19792 4831 1 10 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.791 -0.032 19792 4832 1 10 . 1 1 43 43 LYS C C 43 173.591 173.591 175.288 -1.697 19792 4833 1 10 . 1 1 43 43 LYS CA C 43 51.608 51.608 54.779 -3.171 19792 4834 1 10 . 1 1 43 43 LYS CB C 43 33.447 33.447 35.660 -2.213 19792 4835 1 10 . 1 1 43 43 LYS H H 43 8.289 8.289 8.289 -0.000 19792 4836 1 10 . 1 1 44 44 ASP N N 44 123.608 123.608 121.291 2.317 19792 4837 1 10 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.812 -0.341 19792 4838 1 10 . 1 1 44 44 ASP C C 44 174.790 174.790 176.701 -1.911 19792 4839 1 10 . 1 1 44 44 ASP CA C 44 51.279 51.279 53.088 -1.809 19792 4840 1 10 . 1 1 44 44 ASP CB C 44 40.177 40.177 43.337 -3.160 19792 4841 1 10 . 1 1 44 44 ASP H H 44 8.693 8.693 8.738 -0.045 19792 4842 1 10 . 1 1 45 45 ARG N N 45 126.884 126.884 122.003 4.881 19792 4843 1 10 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.192 -0.216 19792 4844 1 10 . 1 1 45 45 ARG C C 45 174.578 174.578 177.406 -2.828 19792 4845 1 10 . 1 1 45 45 ARG CA C 45 55.637 55.637 58.074 -2.437 19792 4846 1 10 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.260 -2.716 19792 4847 1 10 . 1 1 45 45 ARG H H 45 8.875 8.875 8.705 0.170 19792 4848 1 10 . 1 1 46 46 GLU N N 46 117.313 117.313 119.250 -1.937 19792 4849 1 10 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.184 -0.002 19792 4850 1 10 . 1 1 46 46 GLU C C 46 175.625 175.625 177.316 -1.691 19792 4851 1 10 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.534 -2.906 19792 4852 1 10 . 1 1 46 46 GLU CB C 46 27.597 27.597 29.999 -2.402 19792 4853 1 10 . 1 1 46 46 GLU H H 46 8.561 8.561 8.153 0.408 19792 4854 1 10 . 1 1 47 47 THR N N 47 107.019 107.019 111.488 -4.469 19792 4855 1 10 . 1 1 47 47 THR HA H 47 4.277 4.277 4.446 -0.169 19792 4856 1 10 . 1 1 47 47 THR C C 47 173.242 173.242 173.365 -0.123 19792 4857 1 10 . 1 1 47 47 THR CA C 47 58.709 58.709 61.837 -3.127 19792 4858 1 10 . 1 1 47 47 THR CB C 47 67.971 67.971 68.487 -0.516 19792 4859 1 10 . 1 1 47 47 THR H H 47 8.053 8.053 7.753 0.300 19792 4860 1 10 . 1 1 48 48 ASN N N 48 117.468 117.468 117.772 -0.304 19792 4861 1 10 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.197 0.138 19792 4862 1 10 . 1 1 48 48 ASN C C 48 171.106 171.106 174.212 -3.106 19792 4863 1 10 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.471 -2.341 19792 4864 1 10 . 1 1 48 48 ASN CB C 48 35.645 35.645 38.004 -2.359 19792 4865 1 10 . 1 1 48 48 ASN H H 48 8.230 8.230 8.459 -0.229 19792 4866 1 10 . 1 1 49 49 LYS N N 49 117.523 117.523 117.061 0.462 19792 4867 1 10 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.408 -0.112 19792 4868 1 10 . 1 1 49 49 LYS C C 49 173.910 173.910 177.339 -3.429 19792 4869 1 10 . 1 1 49 49 LYS CA C 49 52.763 52.763 56.432 -3.669 19792 4870 1 10 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.048 -2.009 19792 4871 1 10 . 1 1 49 49 LYS H H 49 7.517 7.517 7.840 -0.323 19792 4872 1 10 . 1 1 50 50 SER N N 50 115.960 115.960 116.345 -0.385 19792 4873 1 10 . 1 1 50 50 SER HA H 50 4.197 4.197 4.731 -0.534 19792 4874 1 10 . 1 1 50 50 SER C C 50 173.417 173.417 175.576 -2.159 19792 4875 1 10 . 1 1 50 50 SER CA C 50 55.614 55.614 58.324 -2.710 19792 4876 1 10 . 1 1 50 50 SER CB C 50 61.524 61.524 63.907 -2.383 19792 4877 1 10 . 1 1 50 50 SER H H 50 8.705 8.705 8.435 0.270 19792 4878 1 10 . 1 1 51 51 ARG N N 51 124.058 124.058 120.552 3.506 19792 4879 1 10 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.531 -0.223 19792 4880 1 10 . 1 1 51 51 ARG C C 51 174.657 174.657 177.057 -2.400 19792 4881 1 10 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.456 -2.063 19792 4882 1 10 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.762 -1.983 19792 4883 1 10 . 1 1 51 51 ARG H H 51 9.023 9.023 8.444 0.579 19792 4884 1 10 . 1 1 52 52 GLY N N 52 106.703 106.703 106.866 -0.163 19792 4885 1 10 . 1 1 52 52 GLY C C 52 168.863 168.863 173.664 -4.801 19792 4886 1 10 . 1 1 52 52 GLY CA C 52 42.919 42.919 45.614 -2.695 19792 4887 1 10 . 1 1 52 52 GLY H H 52 9.129 9.129 8.715 0.414 19792 4888 1 10 . 1 1 53 53 PHE N N 53 112.307 112.307 116.107 -3.800 19792 4889 1 10 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.263 -0.020 19792 4890 1 10 . 1 1 53 53 PHE C C 53 169.552 169.552 172.616 -3.064 19792 4891 1 10 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.878 -2.783 19792 4892 1 10 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.305 -2.391 19792 4893 1 10 . 1 1 53 53 PHE H H 53 6.845 6.845 7.454 -0.609 19792 4894 1 10 . 1 1 54 54 ALA N N 54 120.987 120.987 120.899 0.088 19792 4895 1 10 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.335 0.559 19792 4896 1 10 . 1 1 54 54 ALA C C 54 171.062 171.062 174.310 -3.248 19792 4897 1 10 . 1 1 54 54 ALA CA C 54 47.049 47.049 50.805 -3.756 19792 4898 1 10 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.595 0.231 19792 4899 1 10 . 1 1 54 54 ALA H H 54 8.970 8.970 8.689 0.281 19792 4900 1 10 . 1 1 55 55 PHE N N 55 114.157 114.157 118.667 -4.510 19792 4901 1 10 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.825 0.943 19792 4902 1 10 . 1 1 55 55 PHE C C 55 173.605 173.605 173.200 0.405 19792 4903 1 10 . 1 1 55 55 PHE CA C 55 53.080 53.080 55.230 -2.150 19792 4904 1 10 . 1 1 55 55 PHE CB C 55 40.029 40.029 43.204 -3.175 19792 4905 1 10 . 1 1 55 55 PHE H H 55 8.837 8.837 8.186 0.651 19792 4906 1 10 . 1 1 56 56 VAL N N 56 123.812 123.812 124.752 -0.940 19792 4907 1 10 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.007 0.467 19792 4908 1 10 . 1 1 56 56 VAL C C 56 171.401 171.401 173.886 -2.485 19792 4909 1 10 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.857 -3.009 19792 4910 1 10 . 1 1 56 56 VAL CB C 56 32.527 32.527 36.215 -3.688 19792 4911 1 10 . 1 1 56 56 VAL H H 56 8.558 8.558 8.419 0.139 19792 4912 1 10 . 1 1 57 57 THR N N 57 123.000 123.000 120.337 2.663 19792 4913 1 10 . 1 1 57 57 THR HA H 57 4.974 4.974 4.781 0.193 19792 4914 1 10 . 1 1 57 57 THR C C 57 171.340 171.340 173.331 -1.991 19792 4915 1 10 . 1 1 57 57 THR CA C 57 58.659 58.659 60.759 -2.100 19792 4916 1 10 . 1 1 57 57 THR CB C 57 66.662 66.662 70.236 -3.573 19792 4917 1 10 . 1 1 57 57 THR H H 57 8.808 8.808 8.010 0.798 19792 4918 1 10 . 1 1 58 58 PHE N N 58 128.385 128.385 125.401 2.984 19792 4919 1 10 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.817 -0.134 19792 4920 1 10 . 1 1 58 58 PHE C C 58 172.367 172.367 176.581 -4.214 19792 4921 1 10 . 1 1 58 58 PHE CA C 58 55.449 55.449 57.710 -2.261 19792 4922 1 10 . 1 1 58 58 PHE CB C 58 37.909 37.909 40.102 -2.192 19792 4923 1 10 . 1 1 58 58 PHE H H 58 8.835 8.835 9.232 -0.397 19792 4924 1 10 . 1 1 59 59 GLU N N 59 121.627 121.627 123.465 -1.838 19792 4925 1 10 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.104 -0.338 19792 4926 1 10 . 1 1 59 59 GLU C C 59 173.666 173.666 177.176 -3.510 19792 4927 1 10 . 1 1 59 59 GLU CA C 59 56.293 56.293 58.752 -2.459 19792 4928 1 10 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.228 -2.441 19792 4929 1 10 . 1 1 59 59 GLU H H 59 8.067 8.067 8.599 -0.532 19792 4930 1 10 . 1 1 60 60 SER N N 60 112.302 112.302 114.184 -1.882 19792 4931 1 10 . 1 1 60 60 SER HA H 60 5.163 5.163 4.755 0.408 19792 4932 1 10 . 1 1 60 60 SER CA C 60 50.137 50.137 55.434 -5.297 19792 4933 1 10 . 1 1 60 60 SER CB C 60 61.350 61.350 64.231 -2.881 19792 4934 1 10 . 1 1 60 60 SER H H 60 9.333 9.333 8.053 1.280 19792 4935 1 10 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.538 -0.540 19792 4936 1 10 . 1 1 61 61 PRO CA C 61 61.850 61.850 64.319 -2.469 19792 4937 1 10 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.080 -2.688 19792 4938 1 10 . 1 1 62 62 ALA N N 62 121.088 121.088 120.068 1.020 19792 4939 1 10 . 1 1 62 62 ALA HA H 62 3.932 3.932 3.985 -0.053 19792 4940 1 10 . 1 1 62 62 ALA C C 62 176.826 176.826 178.442 -1.616 19792 4941 1 10 . 1 1 62 62 ALA CA C 62 52.266 52.266 54.459 -2.193 19792 4942 1 10 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.941 -3.323 19792 4943 1 10 . 1 1 62 62 ALA H H 62 7.821 7.821 7.751 0.070 19792 4944 1 10 . 1 1 63 63 ASP N N 63 120.099 120.099 119.586 0.513 19792 4945 1 10 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.276 -0.184 19792 4946 1 10 . 1 1 63 63 ASP C C 63 174.505 174.505 177.471 -2.966 19792 4947 1 10 . 1 1 63 63 ASP CA C 63 53.809 53.809 57.033 -3.224 19792 4948 1 10 . 1 1 63 63 ASP CB C 63 37.374 37.374 40.157 -2.783 19792 4949 1 10 . 1 1 63 63 ASP H H 63 6.960 6.960 7.821 -0.861 19792 4950 1 10 . 1 1 64 64 ALA N N 64 119.533 119.533 119.361 0.172 19792 4951 1 10 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.682 -0.541 19792 4952 1 10 . 1 1 64 64 ALA C C 64 176.037 176.037 179.216 -3.179 19792 4953 1 10 . 1 1 64 64 ALA CA C 64 51.399 51.399 53.405 -2.006 19792 4954 1 10 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.249 -2.684 19792 4955 1 10 . 1 1 64 64 ALA H H 64 6.771 6.771 7.596 -0.825 19792 4956 1 10 . 1 1 65 65 LYS N N 65 117.395 117.395 121.373 -3.978 19792 4957 1 10 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.934 -0.207 19792 4958 1 10 . 1 1 65 65 LYS C C 65 176.716 176.716 178.553 -1.837 19792 4959 1 10 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.943 -3.259 19792 4960 1 10 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.355 -3.172 19792 4961 1 10 . 1 1 65 65 LYS H H 65 7.478 7.478 7.772 -0.294 19792 4962 1 10 . 1 1 66 66 ASP N N 66 120.839 120.839 119.611 1.228 19792 4963 1 10 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.228 -0.045 19792 4964 1 10 . 1 1 66 66 ASP C C 66 175.111 175.111 177.844 -2.733 19792 4965 1 10 . 1 1 66 66 ASP CA C 66 54.430 54.430 57.806 -3.376 19792 4966 1 10 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.713 -2.993 19792 4967 1 10 . 1 1 66 66 ASP H H 66 7.403 7.403 7.759 -0.356 19792 4968 1 10 . 1 1 67 67 ALA N N 67 122.056 122.056 118.023 4.033 19792 4969 1 10 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.377 -1.217 19792 4970 1 10 . 1 1 67 67 ALA C C 67 176.448 176.448 177.389 -0.941 19792 4971 1 10 . 1 1 67 67 ALA CA C 67 51.299 51.299 53.105 -1.806 19792 4972 1 10 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.135 -0.882 19792 4973 1 10 . 1 1 67 67 ALA H H 67 7.737 7.737 7.807 -0.070 19792 4974 1 10 . 1 1 68 68 ALA N N 68 118.624 118.624 118.515 0.109 19792 4975 1 10 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.803 -1.104 19792 4976 1 10 . 1 1 68 68 ALA C C 68 176.619 176.619 177.520 -0.901 19792 4977 1 10 . 1 1 68 68 ALA CA C 68 52.280 52.280 51.891 0.389 19792 4978 1 10 . 1 1 68 68 ALA CB C 68 14.849 14.849 20.130 -5.281 19792 4979 1 10 . 1 1 68 68 ALA H H 68 8.108 8.108 7.547 0.561 19792 4980 1 10 . 1 1 69 69 ARG N N 69 116.265 116.265 118.981 -2.716 19792 4981 1 10 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.142 -0.210 19792 4982 1 10 . 1 1 69 69 ARG C C 69 175.857 175.857 176.964 -1.107 19792 4983 1 10 . 1 1 69 69 ARG CA C 69 55.734 55.734 58.501 -2.767 19792 4984 1 10 . 1 1 69 69 ARG CB C 69 27.249 27.249 30.933 -3.684 19792 4985 1 10 . 1 1 69 69 ARG H H 69 7.599 7.599 7.745 -0.146 19792 4986 1 10 . 1 1 70 70 ASP N N 70 116.202 116.202 118.058 -1.856 19792 4987 1 10 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.695 -0.140 19792 4988 1 10 . 1 1 70 70 ASP C C 70 174.867 174.867 175.796 -0.929 19792 4989 1 10 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.629 -2.315 19792 4990 1 10 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.975 -2.136 19792 4991 1 10 . 1 1 70 70 ASP H H 70 7.657 7.657 7.930 -0.273 19792 4992 1 10 . 1 1 71 71 MET N N 71 111.561 111.561 121.271 -9.710 19792 4993 1 10 . 1 1 71 71 MET HA H 71 4.742 4.742 4.354 0.388 19792 4994 1 10 . 1 1 71 71 MET C C 71 175.174 175.174 173.838 1.336 19792 4995 1 10 . 1 1 71 71 MET CA C 71 50.378 50.378 54.969 -4.591 19792 4996 1 10 . 1 1 71 71 MET CB C 71 29.047 29.047 30.788 -1.741 19792 4997 1 10 . 1 1 71 71 MET H H 71 8.069 8.069 7.151 0.918 19792 4998 1 10 . 1 1 72 72 ASN N N 72 116.196 116.196 123.139 -6.943 19792 4999 1 10 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.888 -0.607 19792 5000 1 10 . 1 1 72 72 ASN C C 72 173.812 173.812 174.741 -0.929 19792 5001 1 10 . 1 1 72 72 ASN CA C 72 53.826 53.826 52.795 1.031 19792 5002 1 10 . 1 1 72 72 ASN CB C 72 35.885 35.885 41.318 -5.433 19792 5003 1 10 . 1 1 72 72 ASN H H 72 7.442 7.442 7.886 -0.444 19792 5004 1 10 . 1 1 73 73 GLY N N 73 116.956 116.956 106.589 10.367 19792 5005 1 10 . 1 1 73 73 GLY C C 73 171.629 171.629 175.197 -3.568 19792 5006 1 10 . 1 1 73 73 GLY CA C 73 43.091 43.091 46.329 -3.238 19792 5007 1 10 . 1 1 73 73 GLY H H 73 8.884 8.884 8.683 0.201 19792 5008 1 10 . 1 1 74 74 LYS N N 74 120.829 120.829 119.681 1.148 19792 5009 1 10 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.426 -0.186 19792 5010 1 10 . 1 1 74 74 LYS C C 74 172.132 172.132 176.275 -4.143 19792 5011 1 10 . 1 1 74 74 LYS CA C 74 52.333 52.333 56.212 -3.879 19792 5012 1 10 . 1 1 74 74 LYS CB C 74 30.131 30.131 34.210 -4.079 19792 5013 1 10 . 1 1 74 74 LYS H H 74 7.797 7.797 7.966 -0.169 19792 5014 1 10 . 1 1 75 75 SER N N 75 112.883 112.883 114.844 -1.961 19792 5015 1 10 . 1 1 75 75 SER HA H 75 4.940 4.940 5.050 -0.110 19792 5016 1 10 . 1 1 75 75 SER C C 75 171.838 171.838 174.309 -2.471 19792 5017 1 10 . 1 1 75 75 SER CA C 75 54.722 54.722 57.919 -3.197 19792 5018 1 10 . 1 1 75 75 SER CB C 75 61.242 61.242 64.227 -2.985 19792 5019 1 10 . 1 1 75 75 SER H H 75 8.037 8.037 8.427 -0.390 19792 5020 1 10 . 1 1 76 76 LEU N N 76 127.669 127.669 123.933 3.736 19792 5021 1 10 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.578 -0.142 19792 5022 1 10 . 1 1 76 76 LEU C C 76 173.849 173.849 175.555 -1.706 19792 5023 1 10 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.701 -3.926 19792 5024 1 10 . 1 1 76 76 LEU CB C 76 41.886 41.886 43.328 -1.442 19792 5025 1 10 . 1 1 76 76 LEU H H 76 8.988 8.988 8.157 0.831 19792 5026 1 10 . 1 1 77 77 ASP N N 77 129.054 129.054 126.846 2.208 19792 5027 1 10 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.345 -0.171 19792 5028 1 10 . 1 1 77 77 ASP C C 77 173.415 173.415 176.597 -3.182 19792 5029 1 10 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.203 -2.327 19792 5030 1 10 . 1 1 77 77 ASP CB C 77 36.413 36.413 40.198 -3.785 19792 5031 1 10 . 1 1 77 77 ASP H H 77 9.523 9.523 8.874 0.649 19792 5032 1 10 . 1 1 78 78 GLY N N 78 101.915 101.915 104.082 -2.167 19792 5033 1 10 . 1 1 78 78 GLY C C 78 170.989 170.989 173.865 -2.876 19792 5034 1 10 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.032 -2.263 19792 5035 1 10 . 1 1 78 78 GLY H H 78 8.396 8.396 8.271 0.125 19792 5036 1 10 . 1 1 79 79 LYS N N 79 119.791 119.791 119.631 0.160 19792 5037 1 10 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.794 -0.248 19792 5038 1 10 . 1 1 79 79 LYS C C 79 171.513 171.513 174.472 -2.959 19792 5039 1 10 . 1 1 79 79 LYS CA C 79 50.277 50.277 54.076 -3.799 19792 5040 1 10 . 1 1 79 79 LYS CB C 79 31.955 31.955 34.920 -2.965 19792 5041 1 10 . 1 1 79 79 LYS H H 79 7.269 7.269 7.377 -0.108 19792 5042 1 10 . 1 1 80 80 ALA N N 80 125.002 125.002 122.545 2.457 19792 5043 1 10 . 1 1 80 80 ALA HA H 80 4.365 4.365 5.200 -0.835 19792 5044 1 10 . 1 1 80 80 ALA C C 80 175.007 175.007 176.691 -1.684 19792 5045 1 10 . 1 1 80 80 ALA CA C 80 48.381 48.381 51.204 -2.823 19792 5046 1 10 . 1 1 80 80 ALA CB C 80 15.215 15.215 20.186 -4.971 19792 5047 1 10 . 1 1 80 80 ALA H H 80 8.235 8.235 8.457 -0.222 19792 5048 1 10 . 1 1 81 81 ILE N N 81 119.947 119.947 120.556 -0.609 19792 5049 1 10 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.756 -0.142 19792 5050 1 10 . 1 1 81 81 ILE C C 81 172.389 172.389 174.383 -1.994 19792 5051 1 10 . 1 1 81 81 ILE CA C 81 57.921 57.921 61.341 -3.420 19792 5052 1 10 . 1 1 81 81 ILE CB C 81 37.547 37.547 39.373 -1.826 19792 5053 1 10 . 1 1 81 81 ILE H H 81 8.204 8.204 8.933 -0.729 19792 5054 1 10 . 1 1 82 82 LYS N N 82 123.700 123.700 122.828 0.872 19792 5055 1 10 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.800 0.046 19792 5056 1 10 . 1 1 82 82 LYS C C 82 172.571 172.571 174.734 -2.163 19792 5057 1 10 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.188 -3.847 19792 5058 1 10 . 1 1 82 82 LYS CB C 82 31.948 31.948 36.337 -4.388 19792 5059 1 10 . 1 1 82 82 LYS H H 82 8.460 8.460 8.603 -0.143 19792 5060 1 10 . 1 1 83 83 VAL N N 83 123.707 123.707 123.174 0.533 19792 5061 1 10 . 1 1 83 83 VAL HA H 83 5.068 5.068 4.983 0.085 19792 5062 1 10 . 1 1 83 83 VAL C C 83 171.831 171.831 175.291 -3.460 19792 5063 1 10 . 1 1 83 83 VAL CA C 83 57.954 57.954 61.128 -3.174 19792 5064 1 10 . 1 1 83 83 VAL CB C 83 31.979 31.979 34.032 -2.053 19792 5065 1 10 . 1 1 83 83 VAL H H 83 8.653 8.653 8.678 -0.025 19792 5066 1 10 . 1 1 84 84 GLU N N 84 123.150 123.150 126.130 -2.980 19792 5067 1 10 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.801 -0.117 19792 5068 1 10 . 1 1 84 84 GLU C C 84 172.141 172.141 174.421 -2.280 19792 5069 1 10 . 1 1 84 84 GLU CA C 84 51.305 51.305 53.983 -2.678 19792 5070 1 10 . 1 1 84 84 GLU CB C 84 31.690 31.690 32.584 -0.894 19792 5071 1 10 . 1 1 84 84 GLU H H 84 8.977 8.977 9.290 -0.313 19792 5072 1 10 . 1 1 85 85 GLN N N 85 121.740 121.740 118.661 3.079 19792 5073 1 10 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.515 -0.266 19792 5074 1 10 . 1 1 85 85 GLN C C 85 173.263 173.263 175.603 -2.340 19792 5075 1 10 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.664 -0.407 19792 5076 1 10 . 1 1 85 85 GLN CB C 85 26.519 26.519 28.809 -2.290 19792 5077 1 10 . 1 1 85 85 GLN H H 85 8.835 8.835 8.669 0.166 19792 5078 1 10 . 1 1 86 86 ALA N N 86 127.885 127.885 130.230 -2.345 19792 5079 1 10 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.010 0.424 19792 5080 1 10 . 1 1 86 86 ALA C C 86 174.487 174.487 176.710 -2.223 19792 5081 1 10 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.963 -2.947 19792 5082 1 10 . 1 1 86 86 ALA CB C 86 16.340 16.340 17.704 -1.364 19792 5083 1 10 . 1 1 86 86 ALA H H 86 8.608 8.608 8.843 -0.235 19792 5084 1 10 . 1 1 87 87 THR N N 87 113.372 113.372 116.511 -3.139 19792 5085 1 10 . 1 1 87 87 THR HA H 87 4.339 4.339 4.540 -0.201 19792 5086 1 10 . 1 1 87 87 THR C C 87 171.331 171.331 172.704 -1.373 19792 5087 1 10 . 1 1 87 87 THR CA C 87 58.219 58.219 61.124 -2.905 19792 5088 1 10 . 1 1 87 87 THR CB C 87 67.397 67.397 69.849 -2.452 19792 5089 1 10 . 1 1 87 87 THR H H 87 8.271 8.271 7.834 0.437 19792 5090 1 10 . 1 1 88 88 LYS N N 88 123.502 123.502 121.519 1.983 19792 5091 1 10 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.757 -0.284 19792 5092 1 10 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.710 -2.099 19792 5093 1 10 . 1 1 88 88 LYS CB C 88 29.867 29.867 33.319 -3.452 19792 5094 1 10 . 1 1 88 88 LYS H H 88 8.203 8.203 8.057 0.146 19792 5095 1 10 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.354 -0.160 19792 5096 1 10 . 1 1 89 89 PRO C C 89 173.726 173.726 177.084 -3.358 19792 5097 1 10 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.669 -3.599 19792 5098 1 10 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.304 -2.989 19792 5099 1 10 . 1 1 90 90 SER N N 90 115.260 115.260 113.006 2.254 19792 5100 1 10 . 1 1 90 90 SER HA H 90 4.229 4.229 4.578 -0.349 19792 5101 1 10 . 1 1 90 90 SER C C 90 171.123 171.123 172.549 -1.426 19792 5102 1 10 . 1 1 90 90 SER CA C 90 55.017 55.017 57.500 -2.483 19792 5103 1 10 . 1 1 90 90 SER CB C 90 60.977 60.977 64.343 -3.366 19792 5104 1 10 . 1 1 90 90 SER H H 90 7.991 7.991 7.655 0.336 19792 5105 1 10 . 1 1 91 91 PHE N N 91 121.128 121.128 123.326 -2.198 19792 5106 1 10 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.908 -0.381 19792 5107 1 10 . 1 1 91 91 PHE C C 91 171.798 171.798 174.475 -2.677 19792 5108 1 10 . 1 1 91 91 PHE CA C 91 54.467 54.467 58.077 -3.610 19792 5109 1 10 . 1 1 91 91 PHE CB C 91 37.008 37.008 40.897 -3.889 19792 5110 1 10 . 1 1 91 91 PHE H H 91 8.004 8.004 8.867 -0.863 19792 5111 1 11 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.665 -0.069 19792 5112 1 11 . 1 1 2 2 HIS C C 2 171.930 171.930 174.361 -2.431 19792 5113 1 11 . 1 1 2 2 HIS CA C 2 52.879 52.879 56.691 -3.812 19792 5114 1 11 . 1 1 2 2 HIS CB C 2 27.693 27.693 30.221 -2.528 19792 5115 1 11 . 1 1 3 3 MET N N 3 122.778 122.778 124.919 -2.141 19792 5116 1 11 . 1 1 3 3 MET HA H 3 4.365 4.365 4.523 -0.158 19792 5117 1 11 . 1 1 3 3 MET C C 3 173.051 173.051 174.573 -1.522 19792 5118 1 11 . 1 1 3 3 MET CA C 3 52.457 52.457 54.710 -2.253 19792 5119 1 11 . 1 1 3 3 MET CB C 3 30.267 30.267 35.339 -5.072 19792 5120 1 11 . 1 1 3 3 MET H H 3 8.407 8.407 8.035 0.372 19792 5121 1 11 . 1 1 4 4 VAL N N 4 121.985 121.985 120.222 1.763 19792 5122 1 11 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.143 -0.151 19792 5123 1 11 . 1 1 4 4 VAL C C 4 173.161 173.161 174.991 -1.830 19792 5124 1 11 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.280 -3.091 19792 5125 1 11 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.397 -2.084 19792 5126 1 11 . 1 1 4 4 VAL H H 4 8.170 8.170 8.414 -0.244 19792 5127 1 11 . 1 1 5 5 GLU N N 5 124.990 124.990 121.727 3.263 19792 5128 1 11 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.561 -0.399 19792 5129 1 11 . 1 1 5 5 GLU C C 5 173.208 173.208 175.304 -2.096 19792 5130 1 11 . 1 1 5 5 GLU CA C 5 53.271 53.271 55.745 -2.474 19792 5131 1 11 . 1 1 5 5 GLU CB C 5 27.861 27.861 28.696 -0.835 19792 5132 1 11 . 1 1 5 5 GLU H H 5 8.469 8.469 8.449 0.020 19792 5133 1 11 . 1 1 6 6 ALA N N 6 124.750 124.750 126.259 -1.509 19792 5134 1 11 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.329 -0.194 19792 5135 1 11 . 1 1 6 6 ALA C C 6 174.516 174.516 176.470 -1.954 19792 5136 1 11 . 1 1 6 6 ALA CA C 6 49.571 49.571 52.260 -2.689 19792 5137 1 11 . 1 1 6 6 ALA CB C 6 16.604 16.604 19.322 -2.718 19792 5138 1 11 . 1 1 6 6 ALA H H 6 8.229 8.229 8.657 -0.428 19792 5139 1 11 . 1 1 7 7 ASP N N 7 119.477 119.477 118.179 1.298 19792 5140 1 11 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.746 -0.316 19792 5141 1 11 . 1 1 7 7 ASP C C 7 173.005 173.005 174.313 -1.308 19792 5142 1 11 . 1 1 7 7 ASP CA C 7 51.032 51.032 53.708 -2.676 19792 5143 1 11 . 1 1 7 7 ASP CB C 7 38.658 38.658 43.078 -4.420 19792 5144 1 11 . 1 1 7 7 ASP H H 7 8.172 8.172 7.828 0.344 19792 5145 1 11 . 1 1 8 8 ARG N N 8 121.454 121.454 119.401 2.053 19792 5146 1 11 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.744 -0.641 19792 5147 1 11 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.014 0.694 19792 5148 1 11 . 1 1 8 8 ARG CB C 8 27.813 27.813 29.906 -2.093 19792 5149 1 11 . 1 1 8 8 ARG H H 8 8.168 8.168 8.587 -0.419 19792 5150 1 11 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.619 -0.206 19792 5151 1 11 . 1 1 9 9 PRO C C 9 174.662 174.662 176.674 -2.012 19792 5152 1 11 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.278 -1.472 19792 5153 1 11 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.557 -1.086 19792 5154 1 11 . 1 1 10 10 GLY N N 10 108.287 108.287 109.300 -1.013 19792 5155 1 11 . 1 1 10 10 GLY C C 10 169.715 169.715 174.211 -4.496 19792 5156 1 11 . 1 1 10 10 GLY CA C 10 42.529 42.529 46.067 -3.538 19792 5157 1 11 . 1 1 10 10 GLY H H 10 8.769 8.769 8.376 0.393 19792 5158 1 11 . 1 1 11 11 LYS N N 11 122.177 122.177 121.013 1.164 19792 5159 1 11 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.852 0.012 19792 5160 1 11 . 1 1 11 11 LYS C C 11 172.419 172.419 176.111 -3.692 19792 5161 1 11 . 1 1 11 11 LYS CA C 11 53.417 53.417 56.915 -3.498 19792 5162 1 11 . 1 1 11 11 LYS CB C 11 32.058 32.058 33.298 -1.240 19792 5163 1 11 . 1 1 11 11 LYS H H 11 7.753 7.753 7.940 -0.187 19792 5164 1 11 . 1 1 12 12 LEU N N 12 127.116 127.116 122.981 4.135 19792 5165 1 11 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.848 0.091 19792 5166 1 11 . 1 1 12 12 LEU C C 12 173.185 173.185 176.101 -2.916 19792 5167 1 11 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.429 -3.128 19792 5168 1 11 . 1 1 12 12 LEU CB C 12 42.075 42.075 45.566 -3.491 19792 5169 1 11 . 1 1 12 12 LEU H H 12 9.465 9.465 8.250 1.215 19792 5170 1 11 . 1 1 13 13 PHE N N 13 122.922 122.922 119.596 3.326 19792 5171 1 11 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.963 -0.251 19792 5172 1 11 . 1 1 13 13 PHE C C 13 170.330 170.330 173.421 -3.091 19792 5173 1 11 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.306 -3.265 19792 5174 1 11 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.528 -5.008 19792 5175 1 11 . 1 1 13 13 PHE H H 13 9.213 9.213 8.209 1.004 19792 5176 1 11 . 1 1 14 14 ILE N N 14 128.128 128.128 125.600 2.528 19792 5177 1 11 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.269 -0.454 19792 5178 1 11 . 1 1 14 14 ILE C C 14 171.441 171.441 174.602 -3.161 19792 5179 1 11 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.763 -4.352 19792 5180 1 11 . 1 1 14 14 ILE CB C 14 36.448 36.448 42.204 -5.756 19792 5181 1 11 . 1 1 14 14 ILE H H 14 8.304 8.304 7.869 0.435 19792 5182 1 11 . 1 1 15 15 GLY N N 15 110.945 110.945 111.792 -0.847 19792 5183 1 11 . 1 1 15 15 GLY C C 15 170.863 170.863 174.271 -3.408 19792 5184 1 11 . 1 1 15 15 GLY CA C 15 40.913 40.913 43.942 -3.029 19792 5185 1 11 . 1 1 15 15 GLY H H 15 8.965 8.965 8.583 0.382 19792 5186 1 11 . 1 1 16 16 GLY N N 16 107.025 107.025 107.700 -0.675 19792 5187 1 11 . 1 1 16 16 GLY C C 16 172.134 172.134 174.996 -2.862 19792 5188 1 11 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.846 -2.984 19792 5189 1 11 . 1 1 16 16 GLY H H 16 7.865 7.865 8.346 -0.481 19792 5190 1 11 . 1 1 17 17 LEU N N 17 115.104 115.104 119.094 -3.990 19792 5191 1 11 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.136 -0.224 19792 5192 1 11 . 1 1 17 17 LEU C C 17 176.024 176.024 177.087 -1.063 19792 5193 1 11 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.992 -3.409 19792 5194 1 11 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.228 -2.059 19792 5195 1 11 . 1 1 17 17 LEU H H 17 7.521 7.521 7.703 -0.182 19792 5196 1 11 . 1 1 18 18 ASN N N 18 120.666 120.666 117.700 2.966 19792 5197 1 11 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.630 -0.244 19792 5198 1 11 . 1 1 18 18 ASN C C 18 176.199 176.199 176.252 -0.053 19792 5199 1 11 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.773 -3.470 19792 5200 1 11 . 1 1 18 18 ASN CB C 18 35.692 35.692 39.623 -3.931 19792 5201 1 11 . 1 1 18 18 ASN H H 18 9.528 9.528 8.547 0.981 19792 5202 1 11 . 1 1 19 19 THR N N 19 123.230 123.230 111.818 11.412 19792 5203 1 11 . 1 1 19 19 THR HA H 19 3.699 3.699 4.547 -0.848 19792 5204 1 11 . 1 1 19 19 THR C C 19 172.195 172.195 175.634 -3.439 19792 5205 1 11 . 1 1 19 19 THR CA C 19 62.512 62.512 64.019 -1.507 19792 5206 1 11 . 1 1 19 19 THR CB C 19 65.438 65.438 69.092 -3.654 19792 5207 1 11 . 1 1 19 19 THR H H 19 8.809 8.809 8.438 0.371 19792 5208 1 11 . 1 1 20 20 GLU N N 20 118.055 118.055 121.039 -2.984 19792 5209 1 11 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.516 -0.340 19792 5210 1 11 . 1 1 20 20 GLU C C 20 174.826 174.826 176.162 -1.336 19792 5211 1 11 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.186 -2.005 19792 5212 1 11 . 1 1 20 20 GLU CB C 20 27.076 27.076 29.883 -2.807 19792 5213 1 11 . 1 1 20 20 GLU H H 20 8.703 8.703 8.414 0.289 19792 5214 1 11 . 1 1 21 21 THR N N 21 119.209 119.209 117.113 2.096 19792 5215 1 11 . 1 1 21 21 THR HA H 21 3.930 3.930 4.256 -0.326 19792 5216 1 11 . 1 1 21 21 THR C C 21 171.688 171.688 173.680 -1.992 19792 5217 1 11 . 1 1 21 21 THR CA C 21 61.882 61.882 63.702 -1.820 19792 5218 1 11 . 1 1 21 21 THR CB C 21 65.397 65.397 69.516 -4.119 19792 5219 1 11 . 1 1 21 21 THR H H 21 7.514 7.514 8.295 -0.781 19792 5220 1 11 . 1 1 22 22 ASN N N 22 126.624 126.624 120.423 6.201 19792 5221 1 11 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.873 -0.104 19792 5222 1 11 . 1 1 22 22 ASN C C 22 172.032 172.032 175.181 -3.149 19792 5223 1 11 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.032 -4.326 19792 5224 1 11 . 1 1 22 22 ASN CB C 22 37.373 37.373 40.977 -3.604 19792 5225 1 11 . 1 1 22 22 ASN H H 22 8.031 8.031 8.373 -0.342 19792 5226 1 11 . 1 1 23 23 GLU N N 23 118.056 118.056 121.420 -3.364 19792 5227 1 11 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.948 -0.381 19792 5228 1 11 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.382 -1.598 19792 5229 1 11 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.653 -3.791 19792 5230 1 11 . 1 1 23 23 GLU H H 23 10.151 10.151 8.768 1.383 19792 5231 1 11 . 1 1 24 24 LYS N N 24 118.897 118.897 119.686 -0.789 19792 5232 1 11 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.214 -0.209 19792 5233 1 11 . 1 1 24 24 LYS C C 24 176.843 176.843 178.551 -1.708 19792 5234 1 11 . 1 1 24 24 LYS CA C 24 55.731 55.731 59.049 -3.318 19792 5235 1 11 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.856 -2.485 19792 5236 1 11 . 1 1 24 24 LYS H H 24 7.839 7.839 8.395 -0.556 19792 5237 1 11 . 1 1 25 25 ALA N N 25 123.210 123.210 119.623 3.587 19792 5238 1 11 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.195 -0.026 19792 5239 1 11 . 1 1 25 25 ALA C C 25 178.048 178.048 179.353 -1.305 19792 5240 1 11 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.407 -2.538 19792 5241 1 11 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.210 -2.071 19792 5242 1 11 . 1 1 25 25 ALA H H 25 7.827 7.827 8.158 -0.331 19792 5243 1 11 . 1 1 26 26 LEU N N 26 116.466 116.466 118.904 -2.438 19792 5244 1 11 . 1 1 26 26 LEU HA H 26 4.024 4.024 4.073 -0.049 19792 5245 1 11 . 1 1 26 26 LEU C C 26 176.375 176.375 178.693 -2.318 19792 5246 1 11 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.192 -2.234 19792 5247 1 11 . 1 1 26 26 LEU CB C 26 39.701 39.701 42.044 -2.343 19792 5248 1 11 . 1 1 26 26 LEU H H 26 7.652 7.652 7.884 -0.232 19792 5249 1 11 . 1 1 27 27 GLU N N 27 119.789 119.789 120.100 -0.311 19792 5250 1 11 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.832 -0.241 19792 5251 1 11 . 1 1 27 27 GLU C C 27 176.206 176.206 178.828 -2.622 19792 5252 1 11 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.974 -2.902 19792 5253 1 11 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.186 -2.119 19792 5254 1 11 . 1 1 27 27 GLU H H 27 8.480 8.480 8.418 0.062 19792 5255 1 11 . 1 1 28 28 ALA N N 28 120.599 120.599 120.867 -0.268 19792 5256 1 11 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.146 -0.107 19792 5257 1 11 . 1 1 28 28 ALA C C 28 177.506 177.506 179.302 -1.796 19792 5258 1 11 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.720 -2.813 19792 5259 1 11 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.515 -3.108 19792 5260 1 11 . 1 1 28 28 ALA H H 28 7.837 7.837 7.756 0.081 19792 5261 1 11 . 1 1 29 29 VAL N N 29 115.536 115.536 118.006 -2.470 19792 5262 1 11 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.696 0.130 19792 5263 1 11 . 1 1 29 29 VAL C C 29 174.998 174.998 177.200 -2.202 19792 5264 1 11 . 1 1 29 29 VAL CA C 29 61.999 61.999 65.957 -3.958 19792 5265 1 11 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.797 -1.919 19792 5266 1 11 . 1 1 29 29 VAL H H 29 7.626 7.626 7.541 0.085 19792 5267 1 11 . 1 1 30 30 PHE N N 30 115.465 115.465 114.364 1.101 19792 5268 1 11 . 1 1 30 30 PHE HA H 30 4.482 4.482 5.113 -0.631 19792 5269 1 11 . 1 1 30 30 PHE C C 30 174.725 174.725 178.062 -3.337 19792 5270 1 11 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.022 1.606 19792 5271 1 11 . 1 1 30 30 PHE CB C 30 35.394 35.394 40.186 -4.792 19792 5272 1 11 . 1 1 30 30 PHE H H 30 8.514 8.514 8.190 0.324 19792 5273 1 11 . 1 1 31 31 GLY N N 31 108.299 108.299 108.925 -0.626 19792 5274 1 11 . 1 1 31 31 GLY C C 31 172.455 172.455 174.924 -2.469 19792 5275 1 11 . 1 1 31 31 GLY CA C 31 43.505 43.505 47.299 -3.794 19792 5276 1 11 . 1 1 31 31 GLY H H 31 8.294 8.294 8.760 -0.466 19792 5277 1 11 . 1 1 32 32 LYS N N 32 117.309 117.309 119.623 -2.314 19792 5278 1 11 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.078 -0.152 19792 5279 1 11 . 1 1 32 32 LYS C C 32 174.779 174.779 176.611 -1.832 19792 5280 1 11 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.790 -3.090 19792 5281 1 11 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.071 -2.136 19792 5282 1 11 . 1 1 32 32 LYS H H 32 6.846 6.846 8.067 -1.221 19792 5283 1 11 . 1 1 33 33 TYR N N 33 115.635 115.635 118.911 -3.276 19792 5284 1 11 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.640 -0.523 19792 5285 1 11 . 1 1 33 33 TYR C C 33 171.935 171.935 175.153 -3.218 19792 5286 1 11 . 1 1 33 33 TYR CA C 33 56.609 56.609 57.869 -1.260 19792 5287 1 11 . 1 1 33 33 TYR CB C 33 35.735 35.735 38.769 -3.034 19792 5288 1 11 . 1 1 33 33 TYR H H 33 7.593 7.593 7.851 -0.258 19792 5289 1 11 . 1 1 34 34 GLY N N 34 104.503 104.503 105.637 -1.134 19792 5290 1 11 . 1 1 34 34 GLY C C 34 168.962 168.962 173.699 -4.737 19792 5291 1 11 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.151 -3.588 19792 5292 1 11 . 1 1 34 34 GLY H H 34 7.253 7.253 7.732 -0.479 19792 5293 1 11 . 1 1 35 35 ARG N N 35 116.679 116.679 118.453 -1.774 19792 5294 1 11 . 1 1 35 35 ARG HA H 35 4.115 4.115 3.977 0.138 19792 5295 1 11 . 1 1 35 35 ARG C C 35 174.272 174.272 173.540 0.732 19792 5296 1 11 . 1 1 35 35 ARG CA C 35 54.785 54.785 57.155 -2.370 19792 5297 1 11 . 1 1 35 35 ARG CB C 35 27.958 27.958 31.143 -3.185 19792 5298 1 11 . 1 1 35 35 ARG H H 35 8.196 8.196 8.530 -0.334 19792 5299 1 11 . 1 1 36 36 ILE N N 36 128.885 128.885 122.380 6.505 19792 5300 1 11 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.135 -0.308 19792 5301 1 11 . 1 1 36 36 ILE C C 36 173.725 173.725 175.931 -2.206 19792 5302 1 11 . 1 1 36 36 ILE CA C 36 57.740 57.740 60.446 -2.706 19792 5303 1 11 . 1 1 36 36 ILE CB C 36 37.006 37.006 39.559 -2.553 19792 5304 1 11 . 1 1 36 36 ILE H H 36 8.760 8.760 8.323 0.437 19792 5305 1 11 . 1 1 37 37 VAL N N 37 122.612 122.612 121.156 1.456 19792 5306 1 11 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.362 -0.280 19792 5307 1 11 . 1 1 37 37 VAL C C 37 172.917 172.917 175.794 -2.877 19792 5308 1 11 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.966 -2.620 19792 5309 1 11 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.292 -2.917 19792 5310 1 11 . 1 1 37 37 VAL H H 37 8.751 8.751 8.158 0.593 19792 5311 1 11 . 1 1 38 38 GLU N N 38 118.683 118.683 120.156 -1.473 19792 5312 1 11 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.499 -0.131 19792 5313 1 11 . 1 1 38 38 GLU C C 38 170.647 170.647 173.515 -2.868 19792 5314 1 11 . 1 1 38 38 GLU CA C 38 53.636 53.636 55.874 -2.238 19792 5315 1 11 . 1 1 38 38 GLU CB C 38 31.112 31.112 33.748 -2.636 19792 5316 1 11 . 1 1 38 38 GLU H H 38 7.075 7.075 7.322 -0.247 19792 5317 1 11 . 1 1 39 39 VAL N N 39 125.880 125.880 122.221 3.659 19792 5318 1 11 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.331 -0.012 19792 5319 1 11 . 1 1 39 39 VAL C C 39 170.693 170.693 174.556 -3.863 19792 5320 1 11 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.395 -2.339 19792 5321 1 11 . 1 1 39 39 VAL CB C 39 31.077 31.077 34.828 -3.751 19792 5322 1 11 . 1 1 39 39 VAL H H 39 8.509 8.509 8.322 0.187 19792 5323 1 11 . 1 1 40 40 LEU N N 40 129.331 129.331 126.234 3.097 19792 5324 1 11 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.657 0.018 19792 5325 1 11 . 1 1 40 40 LEU C C 40 171.627 171.627 174.744 -3.117 19792 5326 1 11 . 1 1 40 40 LEU CA C 40 50.744 50.744 53.742 -2.998 19792 5327 1 11 . 1 1 40 40 LEU CB C 40 42.066 42.066 45.608 -3.542 19792 5328 1 11 . 1 1 40 40 LEU H H 40 8.928 8.928 8.685 0.243 19792 5329 1 11 . 1 1 41 41 LEU N N 41 128.574 128.574 126.566 2.008 19792 5330 1 11 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.551 -0.211 19792 5331 1 11 . 1 1 41 41 LEU C C 41 172.935 172.935 175.788 -2.853 19792 5332 1 11 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.213 -3.337 19792 5333 1 11 . 1 1 41 41 LEU CB C 41 41.547 41.547 44.129 -2.582 19792 5334 1 11 . 1 1 41 41 LEU H H 41 9.023 9.023 8.170 0.853 19792 5335 1 11 . 1 1 42 42 MET N N 42 125.617 125.617 122.156 3.461 19792 5336 1 11 . 1 1 42 42 MET HA H 42 4.357 4.357 4.795 -0.438 19792 5337 1 11 . 1 1 42 42 MET C C 42 172.606 172.606 174.364 -1.758 19792 5338 1 11 . 1 1 42 42 MET CA C 42 51.857 51.857 53.484 -1.627 19792 5339 1 11 . 1 1 42 42 MET CB C 42 27.700 27.700 35.246 -7.546 19792 5340 1 11 . 1 1 42 42 MET H H 42 7.988 7.988 8.581 -0.593 19792 5341 1 11 . 1 1 43 43 LYS N N 43 121.956 121.956 118.397 3.559 19792 5342 1 11 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.835 -0.076 19792 5343 1 11 . 1 1 43 43 LYS C C 43 173.591 173.591 175.116 -1.525 19792 5344 1 11 . 1 1 43 43 LYS CA C 43 51.608 51.608 54.869 -3.261 19792 5345 1 11 . 1 1 43 43 LYS CB C 43 33.447 33.447 36.088 -2.641 19792 5346 1 11 . 1 1 43 43 LYS H H 43 8.289 8.289 8.054 0.235 19792 5347 1 11 . 1 1 44 44 ASP N N 44 123.608 123.608 121.436 2.172 19792 5348 1 11 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.768 -0.297 19792 5349 1 11 . 1 1 44 44 ASP C C 44 174.790 174.790 177.176 -2.386 19792 5350 1 11 . 1 1 44 44 ASP CA C 44 51.279 51.279 53.587 -2.308 19792 5351 1 11 . 1 1 44 44 ASP CB C 44 40.177 40.177 43.246 -3.069 19792 5352 1 11 . 1 1 44 44 ASP H H 44 8.693 8.693 8.928 -0.235 19792 5353 1 11 . 1 1 45 45 ARG N N 45 126.884 126.884 125.215 1.669 19792 5354 1 11 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.136 -0.160 19792 5355 1 11 . 1 1 45 45 ARG C C 45 174.578 174.578 177.450 -2.872 19792 5356 1 11 . 1 1 45 45 ARG CA C 45 55.637 55.637 57.831 -2.193 19792 5357 1 11 . 1 1 45 45 ARG CB C 45 27.544 27.544 29.756 -2.212 19792 5358 1 11 . 1 1 45 45 ARG H H 45 8.875 8.875 8.608 0.267 19792 5359 1 11 . 1 1 46 46 GLU N N 46 117.313 117.313 120.641 -3.328 19792 5360 1 11 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.149 0.033 19792 5361 1 11 . 1 1 46 46 GLU C C 46 175.625 175.625 177.150 -1.525 19792 5362 1 11 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.736 -3.108 19792 5363 1 11 . 1 1 46 46 GLU CB C 46 27.597 27.597 30.296 -2.699 19792 5364 1 11 . 1 1 46 46 GLU H H 46 8.561 8.561 8.853 -0.292 19792 5365 1 11 . 1 1 47 47 THR N N 47 107.019 107.019 111.092 -4.073 19792 5366 1 11 . 1 1 47 47 THR HA H 47 4.277 4.277 4.390 -0.113 19792 5367 1 11 . 1 1 47 47 THR C C 47 173.242 173.242 173.368 -0.126 19792 5368 1 11 . 1 1 47 47 THR CA C 47 58.709 58.709 62.481 -3.772 19792 5369 1 11 . 1 1 47 47 THR CB C 47 67.971 67.971 68.776 -0.805 19792 5370 1 11 . 1 1 47 47 THR H H 47 8.053 8.053 7.738 0.315 19792 5371 1 11 . 1 1 48 48 ASN N N 48 117.468 117.468 116.934 0.534 19792 5372 1 11 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.220 0.115 19792 5373 1 11 . 1 1 48 48 ASN C C 48 171.106 171.106 174.422 -3.316 19792 5374 1 11 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.816 -2.686 19792 5375 1 11 . 1 1 48 48 ASN CB C 48 35.645 35.645 36.291 -0.646 19792 5376 1 11 . 1 1 48 48 ASN H H 48 8.230 8.230 8.498 -0.268 19792 5377 1 11 . 1 1 49 49 LYS N N 49 117.523 117.523 118.833 -1.310 19792 5378 1 11 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.155 0.141 19792 5379 1 11 . 1 1 49 49 LYS C C 49 173.910 173.910 176.351 -2.441 19792 5380 1 11 . 1 1 49 49 LYS CA C 49 52.763 52.763 57.003 -4.240 19792 5381 1 11 . 1 1 49 49 LYS CB C 49 31.039 31.039 32.953 -1.914 19792 5382 1 11 . 1 1 49 49 LYS H H 49 7.517 7.517 7.487 0.030 19792 5383 1 11 . 1 1 50 50 SER N N 50 115.960 115.960 116.714 -0.754 19792 5384 1 11 . 1 1 50 50 SER HA H 50 4.197 4.197 4.759 -0.562 19792 5385 1 11 . 1 1 50 50 SER C C 50 173.417 173.417 174.606 -1.189 19792 5386 1 11 . 1 1 50 50 SER CA C 50 55.614 55.614 56.842 -1.228 19792 5387 1 11 . 1 1 50 50 SER CB C 50 61.524 61.524 63.499 -1.976 19792 5388 1 11 . 1 1 50 50 SER H H 50 8.705 8.705 8.618 0.087 19792 5389 1 11 . 1 1 51 51 ARG N N 51 124.058 124.058 127.312 -3.254 19792 5390 1 11 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.416 -0.108 19792 5391 1 11 . 1 1 51 51 ARG C C 51 174.657 174.657 176.624 -1.967 19792 5392 1 11 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.425 -2.032 19792 5393 1 11 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.657 -1.879 19792 5394 1 11 . 1 1 51 51 ARG H H 51 9.023 9.023 7.971 1.052 19792 5395 1 11 . 1 1 52 52 GLY N N 52 106.703 106.703 108.938 -2.235 19792 5396 1 11 . 1 1 52 52 GLY C C 52 168.863 168.863 173.146 -4.283 19792 5397 1 11 . 1 1 52 52 GLY CA C 52 42.919 42.919 44.351 -1.432 19792 5398 1 11 . 1 1 52 52 GLY H H 52 9.129 9.129 8.800 0.329 19792 5399 1 11 . 1 1 53 53 PHE N N 53 112.307 112.307 116.460 -4.153 19792 5400 1 11 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.309 -0.066 19792 5401 1 11 . 1 1 53 53 PHE C C 53 169.552 169.552 172.526 -2.974 19792 5402 1 11 . 1 1 53 53 PHE CA C 53 52.095 52.095 55.339 -3.244 19792 5403 1 11 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.160 -2.247 19792 5404 1 11 . 1 1 53 53 PHE H H 53 6.845 6.845 7.161 -0.316 19792 5405 1 11 . 1 1 54 54 ALA N N 54 120.987 120.987 120.570 0.417 19792 5406 1 11 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.651 0.243 19792 5407 1 11 . 1 1 54 54 ALA C C 54 171.062 171.062 174.491 -3.429 19792 5408 1 11 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.494 -4.445 19792 5409 1 11 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.522 0.304 19792 5410 1 11 . 1 1 54 54 ALA H H 54 8.970 8.970 8.872 0.098 19792 5411 1 11 . 1 1 55 55 PHE N N 55 114.157 114.157 118.794 -4.637 19792 5412 1 11 . 1 1 55 55 PHE HA H 55 5.768 5.768 5.006 0.762 19792 5413 1 11 . 1 1 55 55 PHE C C 55 173.605 173.605 173.125 0.480 19792 5414 1 11 . 1 1 55 55 PHE CA C 55 53.080 53.080 55.952 -2.872 19792 5415 1 11 . 1 1 55 55 PHE CB C 55 40.029 40.029 43.102 -3.073 19792 5416 1 11 . 1 1 55 55 PHE H H 55 8.837 8.837 8.339 0.498 19792 5417 1 11 . 1 1 56 56 VAL N N 56 123.812 123.812 125.744 -1.932 19792 5418 1 11 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.135 0.339 19792 5419 1 11 . 1 1 56 56 VAL C C 56 171.401 171.401 174.161 -2.760 19792 5420 1 11 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.590 -2.742 19792 5421 1 11 . 1 1 56 56 VAL CB C 56 32.527 32.527 36.229 -3.702 19792 5422 1 11 . 1 1 56 56 VAL H H 56 8.558 8.558 8.439 0.119 19792 5423 1 11 . 1 1 57 57 THR N N 57 123.000 123.000 119.695 3.305 19792 5424 1 11 . 1 1 57 57 THR HA H 57 4.974 4.974 5.113 -0.139 19792 5425 1 11 . 1 1 57 57 THR C C 57 171.340 171.340 173.729 -2.389 19792 5426 1 11 . 1 1 57 57 THR CA C 57 58.659 58.659 60.738 -2.079 19792 5427 1 11 . 1 1 57 57 THR CB C 57 66.662 66.662 70.009 -3.347 19792 5428 1 11 . 1 1 57 57 THR H H 57 8.808 8.808 8.262 0.546 19792 5429 1 11 . 1 1 58 58 PHE N N 58 128.385 128.385 125.089 3.296 19792 5430 1 11 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.609 0.074 19792 5431 1 11 . 1 1 58 58 PHE C C 58 172.367 172.367 175.986 -3.619 19792 5432 1 11 . 1 1 58 58 PHE CA C 58 55.449 55.449 57.429 -1.980 19792 5433 1 11 . 1 1 58 58 PHE CB C 58 37.909 37.909 39.821 -1.912 19792 5434 1 11 . 1 1 58 58 PHE H H 58 8.835 8.835 8.629 0.206 19792 5435 1 11 . 1 1 59 59 GLU N N 59 121.627 121.627 121.509 0.118 19792 5436 1 11 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.109 -0.343 19792 5437 1 11 . 1 1 59 59 GLU C C 59 173.666 173.666 176.788 -3.122 19792 5438 1 11 . 1 1 59 59 GLU CA C 59 56.293 56.293 58.727 -2.434 19792 5439 1 11 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.340 -2.553 19792 5440 1 11 . 1 1 59 59 GLU H H 59 8.067 8.067 8.573 -0.506 19792 5441 1 11 . 1 1 60 60 SER N N 60 112.302 112.302 113.858 -1.556 19792 5442 1 11 . 1 1 60 60 SER HA H 60 5.163 5.163 4.948 0.215 19792 5443 1 11 . 1 1 60 60 SER CA C 60 50.137 50.137 55.667 -5.530 19792 5444 1 11 . 1 1 60 60 SER CB C 60 61.350 61.350 64.480 -3.130 19792 5445 1 11 . 1 1 60 60 SER H H 60 9.333 9.333 7.828 1.505 19792 5446 1 11 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.416 -0.418 19792 5447 1 11 . 1 1 61 61 PRO CA C 61 61.850 61.850 65.066 -3.216 19792 5448 1 11 . 1 1 61 61 PRO CB C 61 29.391 29.391 31.800 -2.409 19792 5449 1 11 . 1 1 62 62 ALA N N 62 121.088 121.088 121.129 -0.041 19792 5450 1 11 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.092 -0.160 19792 5451 1 11 . 1 1 62 62 ALA C C 62 176.826 176.826 179.423 -2.597 19792 5452 1 11 . 1 1 62 62 ALA CA C 62 52.266 52.266 54.812 -2.546 19792 5453 1 11 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.405 -2.787 19792 5454 1 11 . 1 1 62 62 ALA H H 62 7.821 7.821 7.823 -0.002 19792 5455 1 11 . 1 1 63 63 ASP N N 63 120.099 120.099 120.258 -0.159 19792 5456 1 11 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.516 -0.424 19792 5457 1 11 . 1 1 63 63 ASP C C 63 174.505 174.505 178.248 -3.743 19792 5458 1 11 . 1 1 63 63 ASP CA C 63 53.809 53.809 57.378 -3.569 19792 5459 1 11 . 1 1 63 63 ASP CB C 63 37.374 37.374 40.336 -2.962 19792 5460 1 11 . 1 1 63 63 ASP H H 63 6.960 6.960 8.353 -1.393 19792 5461 1 11 . 1 1 64 64 ALA N N 64 119.533 119.533 121.974 -2.441 19792 5462 1 11 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.067 0.074 19792 5463 1 11 . 1 1 64 64 ALA C C 64 176.037 176.037 179.132 -3.095 19792 5464 1 11 . 1 1 64 64 ALA CA C 64 51.399 51.399 54.642 -3.243 19792 5465 1 11 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.558 -2.993 19792 5466 1 11 . 1 1 64 64 ALA H H 64 6.771 6.771 7.520 -0.749 19792 5467 1 11 . 1 1 65 65 LYS N N 65 117.395 117.395 118.804 -1.409 19792 5468 1 11 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.899 -0.172 19792 5469 1 11 . 1 1 65 65 LYS C C 65 176.716 176.716 178.480 -1.764 19792 5470 1 11 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.355 -2.671 19792 5471 1 11 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.155 -2.972 19792 5472 1 11 . 1 1 65 65 LYS H H 65 7.478 7.478 7.780 -0.302 19792 5473 1 11 . 1 1 66 66 ASP N N 66 120.839 120.839 118.268 2.571 19792 5474 1 11 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.477 -0.294 19792 5475 1 11 . 1 1 66 66 ASP C C 66 175.111 175.111 177.386 -2.275 19792 5476 1 11 . 1 1 66 66 ASP CA C 66 54.430 54.430 56.623 -2.193 19792 5477 1 11 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.911 -3.191 19792 5478 1 11 . 1 1 66 66 ASP H H 66 7.403 7.403 7.778 -0.375 19792 5479 1 11 . 1 1 67 67 ALA N N 67 122.056 122.056 121.585 0.471 19792 5480 1 11 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.331 -1.171 19792 5481 1 11 . 1 1 67 67 ALA C C 67 176.448 176.448 178.991 -2.543 19792 5482 1 11 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.463 -3.164 19792 5483 1 11 . 1 1 67 67 ALA CB C 67 17.253 17.253 17.879 -0.626 19792 5484 1 11 . 1 1 67 67 ALA H H 67 7.737 7.737 7.288 0.449 19792 5485 1 11 . 1 1 68 68 ALA N N 68 118.624 118.624 116.554 2.070 19792 5486 1 11 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.142 -0.443 19792 5487 1 11 . 1 1 68 68 ALA C C 68 176.619 176.619 177.189 -0.570 19792 5488 1 11 . 1 1 68 68 ALA CA C 68 52.280 52.280 52.886 -0.606 19792 5489 1 11 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.420 -3.571 19792 5490 1 11 . 1 1 68 68 ALA H H 68 8.108 8.108 7.542 0.566 19792 5491 1 11 . 1 1 69 69 ARG N N 69 116.265 116.265 116.745 -0.480 19792 5492 1 11 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.521 -0.589 19792 5493 1 11 . 1 1 69 69 ARG C C 69 175.857 175.857 176.688 -0.831 19792 5494 1 11 . 1 1 69 69 ARG CA C 69 55.734 55.734 56.600 -0.866 19792 5495 1 11 . 1 1 69 69 ARG CB C 69 27.249 27.249 31.827 -4.578 19792 5496 1 11 . 1 1 69 69 ARG H H 69 7.599 7.599 7.677 -0.078 19792 5497 1 11 . 1 1 70 70 ASP N N 70 116.202 116.202 119.768 -3.566 19792 5498 1 11 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.495 0.060 19792 5499 1 11 . 1 1 70 70 ASP C C 70 174.867 174.867 177.217 -2.350 19792 5500 1 11 . 1 1 70 70 ASP CA C 70 53.314 53.314 56.124 -2.810 19792 5501 1 11 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.696 -1.857 19792 5502 1 11 . 1 1 70 70 ASP H H 70 7.657 7.657 8.247 -0.590 19792 5503 1 11 . 1 1 71 71 MET N N 71 111.561 111.561 116.640 -5.079 19792 5504 1 11 . 1 1 71 71 MET HA H 71 4.742 4.742 4.358 0.384 19792 5505 1 11 . 1 1 71 71 MET C C 71 175.174 175.174 175.637 -0.463 19792 5506 1 11 . 1 1 71 71 MET CA C 71 50.378 50.378 56.230 -5.852 19792 5507 1 11 . 1 1 71 71 MET CB C 71 29.047 29.047 32.714 -3.667 19792 5508 1 11 . 1 1 71 71 MET H H 71 8.069 8.069 7.411 0.658 19792 5509 1 11 . 1 1 72 72 ASN N N 72 116.196 116.196 117.075 -0.879 19792 5510 1 11 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.656 -0.375 19792 5511 1 11 . 1 1 72 72 ASN C C 72 173.812 173.812 177.265 -3.453 19792 5512 1 11 . 1 1 72 72 ASN CA C 72 53.826 53.826 53.957 -0.131 19792 5513 1 11 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.472 -2.587 19792 5514 1 11 . 1 1 72 72 ASN H H 72 7.442 7.442 7.681 -0.239 19792 5515 1 11 . 1 1 73 73 GLY N N 73 116.956 116.956 109.543 7.413 19792 5516 1 11 . 1 1 73 73 GLY C C 73 171.629 171.629 174.250 -2.621 19792 5517 1 11 . 1 1 73 73 GLY CA C 73 43.091 43.091 46.303 -3.212 19792 5518 1 11 . 1 1 73 73 GLY H H 73 8.884 8.884 9.007 -0.123 19792 5519 1 11 . 1 1 74 74 LYS N N 74 120.829 120.829 119.488 1.341 19792 5520 1 11 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.465 -0.225 19792 5521 1 11 . 1 1 74 74 LYS C C 74 172.132 172.132 175.303 -3.171 19792 5522 1 11 . 1 1 74 74 LYS CA C 74 52.333 52.333 55.431 -3.098 19792 5523 1 11 . 1 1 74 74 LYS CB C 74 30.131 30.131 33.836 -3.705 19792 5524 1 11 . 1 1 74 74 LYS H H 74 7.797 7.797 7.699 0.098 19792 5525 1 11 . 1 1 75 75 SER N N 75 112.883 112.883 114.726 -1.843 19792 5526 1 11 . 1 1 75 75 SER HA H 75 4.940 4.940 5.157 -0.217 19792 5527 1 11 . 1 1 75 75 SER C C 75 171.838 171.838 173.759 -1.921 19792 5528 1 11 . 1 1 75 75 SER CA C 75 54.722 54.722 56.779 -2.057 19792 5529 1 11 . 1 1 75 75 SER CB C 75 61.242 61.242 65.003 -3.761 19792 5530 1 11 . 1 1 75 75 SER H H 75 8.037 8.037 8.113 -0.076 19792 5531 1 11 . 1 1 76 76 LEU N N 76 127.669 127.669 125.599 2.070 19792 5532 1 11 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.657 -0.221 19792 5533 1 11 . 1 1 76 76 LEU C C 76 173.849 173.849 175.729 -1.880 19792 5534 1 11 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.060 -3.285 19792 5535 1 11 . 1 1 76 76 LEU CB C 76 41.886 41.886 44.129 -2.243 19792 5536 1 11 . 1 1 76 76 LEU H H 76 8.988 8.988 8.900 0.088 19792 5537 1 11 . 1 1 77 77 ASP N N 77 129.054 129.054 126.137 2.917 19792 5538 1 11 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.344 -0.170 19792 5539 1 11 . 1 1 77 77 ASP C C 77 173.415 173.415 176.337 -2.922 19792 5540 1 11 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.046 -2.170 19792 5541 1 11 . 1 1 77 77 ASP CB C 77 36.413 36.413 39.705 -3.292 19792 5542 1 11 . 1 1 77 77 ASP H H 77 9.523 9.523 9.272 0.251 19792 5543 1 11 . 1 1 78 78 GLY N N 78 101.915 101.915 101.352 0.563 19792 5544 1 11 . 1 1 78 78 GLY C C 78 170.989 170.989 174.297 -3.308 19792 5545 1 11 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.300 -2.531 19792 5546 1 11 . 1 1 78 78 GLY H H 78 8.396 8.396 8.631 -0.235 19792 5547 1 11 . 1 1 79 79 LYS N N 79 119.791 119.791 121.495 -1.704 19792 5548 1 11 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.596 -0.050 19792 5549 1 11 . 1 1 79 79 LYS C C 79 171.513 171.513 175.201 -3.688 19792 5550 1 11 . 1 1 79 79 LYS CA C 79 50.277 50.277 53.869 -3.592 19792 5551 1 11 . 1 1 79 79 LYS CB C 79 31.955 31.955 33.472 -1.517 19792 5552 1 11 . 1 1 79 79 LYS H H 79 7.269 7.269 7.714 -0.445 19792 5553 1 11 . 1 1 80 80 ALA N N 80 125.002 125.002 129.658 -4.656 19792 5554 1 11 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.430 -0.065 19792 5555 1 11 . 1 1 80 80 ALA C C 80 175.007 175.007 177.243 -2.236 19792 5556 1 11 . 1 1 80 80 ALA CA C 80 48.381 48.381 51.386 -3.005 19792 5557 1 11 . 1 1 80 80 ALA CB C 80 15.215 15.215 17.652 -2.437 19792 5558 1 11 . 1 1 80 80 ALA H H 80 8.235 8.235 8.861 -0.626 19792 5559 1 11 . 1 1 81 81 ILE N N 81 119.947 119.947 118.820 1.127 19792 5560 1 11 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.398 0.216 19792 5561 1 11 . 1 1 81 81 ILE C C 81 172.389 172.389 175.351 -2.962 19792 5562 1 11 . 1 1 81 81 ILE CA C 81 57.921 57.921 61.686 -3.765 19792 5563 1 11 . 1 1 81 81 ILE CB C 81 37.547 37.547 38.894 -1.347 19792 5564 1 11 . 1 1 81 81 ILE H H 81 8.204 8.204 7.646 0.558 19792 5565 1 11 . 1 1 82 82 LYS N N 82 123.700 123.700 120.770 2.930 19792 5566 1 11 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.664 0.182 19792 5567 1 11 . 1 1 82 82 LYS C C 82 172.571 172.571 175.311 -2.740 19792 5568 1 11 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.071 -3.730 19792 5569 1 11 . 1 1 82 82 LYS CB C 82 31.948 31.948 36.395 -4.447 19792 5570 1 11 . 1 1 82 82 LYS H H 82 8.460 8.460 8.486 -0.026 19792 5571 1 11 . 1 1 83 83 VAL N N 83 123.707 123.707 121.055 2.652 19792 5572 1 11 . 1 1 83 83 VAL HA H 83 5.068 5.068 5.143 -0.075 19792 5573 1 11 . 1 1 83 83 VAL C C 83 171.831 171.831 175.482 -3.651 19792 5574 1 11 . 1 1 83 83 VAL CA C 83 57.954 57.954 60.433 -2.479 19792 5575 1 11 . 1 1 83 83 VAL CB C 83 31.979 31.979 34.682 -2.703 19792 5576 1 11 . 1 1 83 83 VAL H H 83 8.653 8.653 8.519 0.134 19792 5577 1 11 . 1 1 84 84 GLU N N 84 123.150 123.150 123.808 -0.658 19792 5578 1 11 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.768 -0.084 19792 5579 1 11 . 1 1 84 84 GLU C C 84 172.141 172.141 174.917 -2.776 19792 5580 1 11 . 1 1 84 84 GLU CA C 84 51.305 51.305 54.103 -2.798 19792 5581 1 11 . 1 1 84 84 GLU CB C 84 31.690 31.690 32.221 -0.531 19792 5582 1 11 . 1 1 84 84 GLU H H 84 8.977 8.977 9.165 -0.188 19792 5583 1 11 . 1 1 85 85 GLN N N 85 121.740 121.740 120.404 1.336 19792 5584 1 11 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.475 -0.226 19792 5585 1 11 . 1 1 85 85 GLN C C 85 173.263 173.263 175.853 -2.590 19792 5586 1 11 . 1 1 85 85 GLN CA C 85 54.257 54.257 55.234 -0.977 19792 5587 1 11 . 1 1 85 85 GLN CB C 85 26.519 26.519 29.555 -3.035 19792 5588 1 11 . 1 1 85 85 GLN H H 85 8.835 8.835 8.629 0.206 19792 5589 1 11 . 1 1 86 86 ALA N N 86 127.885 127.885 131.491 -3.606 19792 5590 1 11 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.216 0.218 19792 5591 1 11 . 1 1 86 86 ALA C C 86 174.487 174.487 176.644 -2.157 19792 5592 1 11 . 1 1 86 86 ALA CA C 86 50.016 50.016 51.965 -1.949 19792 5593 1 11 . 1 1 86 86 ALA CB C 86 16.340 16.340 17.617 -1.278 19792 5594 1 11 . 1 1 86 86 ALA H H 86 8.608 8.608 8.878 -0.270 19792 5595 1 11 . 1 1 87 87 THR N N 87 113.372 113.372 114.992 -1.620 19792 5596 1 11 . 1 1 87 87 THR HA H 87 4.339 4.339 4.515 -0.176 19792 5597 1 11 . 1 1 87 87 THR C C 87 171.331 171.331 172.157 -0.826 19792 5598 1 11 . 1 1 87 87 THR CA C 87 58.219 58.219 61.812 -3.593 19792 5599 1 11 . 1 1 87 87 THR CB C 87 67.397 67.397 70.220 -2.823 19792 5600 1 11 . 1 1 87 87 THR H H 87 8.271 8.271 8.040 0.231 19792 5601 1 11 . 1 1 88 88 LYS N N 88 123.502 123.502 121.057 2.445 19792 5602 1 11 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.758 -0.285 19792 5603 1 11 . 1 1 88 88 LYS CA C 88 51.611 51.611 54.435 -2.824 19792 5604 1 11 . 1 1 88 88 LYS CB C 88 29.867 29.867 33.111 -3.244 19792 5605 1 11 . 1 1 88 88 LYS H H 88 8.203 8.203 8.293 -0.090 19792 5606 1 11 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.559 -0.365 19792 5607 1 11 . 1 1 89 89 PRO C C 89 173.726 173.726 177.302 -3.576 19792 5608 1 11 . 1 1 89 89 PRO CA C 89 60.070 60.070 62.490 -2.420 19792 5609 1 11 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.519 -3.204 19792 5610 1 11 . 1 1 90 90 SER N N 90 115.260 115.260 115.190 0.070 19792 5611 1 11 . 1 1 90 90 SER HA H 90 4.229 4.229 4.237 -0.008 19792 5612 1 11 . 1 1 90 90 SER C C 90 171.123 171.123 174.436 -3.313 19792 5613 1 11 . 1 1 90 90 SER CA C 90 55.017 55.017 59.381 -4.364 19792 5614 1 11 . 1 1 90 90 SER CB C 90 60.977 60.977 63.181 -2.204 19792 5615 1 11 . 1 1 90 90 SER H H 90 7.991 7.991 8.300 -0.309 19792 5616 1 11 . 1 1 91 91 PHE N N 91 121.128 121.128 123.981 -2.853 19792 5617 1 11 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.579 -0.052 19792 5618 1 11 . 1 1 91 91 PHE C C 91 171.798 171.798 175.683 -3.885 19792 5619 1 11 . 1 1 91 91 PHE CA C 91 54.467 54.467 57.926 -3.459 19792 5620 1 11 . 1 1 91 91 PHE CB C 91 37.008 37.008 40.322 -3.314 19792 5621 1 11 . 1 1 91 91 PHE H H 91 8.004 8.004 8.572 -0.568 19792 5622 1 12 . 1 1 2 2 HIS HA H 2 4.596 4.596 5.234 -0.638 19792 5623 1 12 . 1 1 2 2 HIS C C 2 171.930 171.930 174.230 -2.300 19792 5624 1 12 . 1 1 2 2 HIS CA C 2 52.879 52.879 55.260 -2.381 19792 5625 1 12 . 1 1 2 2 HIS CB C 2 27.693 27.693 32.446 -4.753 19792 5626 1 12 . 1 1 3 3 MET N N 3 122.778 122.778 122.816 -0.038 19792 5627 1 12 . 1 1 3 3 MET HA H 3 4.365 4.365 4.816 -0.451 19792 5628 1 12 . 1 1 3 3 MET C C 3 173.051 173.051 174.676 -1.625 19792 5629 1 12 . 1 1 3 3 MET CA C 3 52.457 52.457 55.311 -2.854 19792 5630 1 12 . 1 1 3 3 MET CB C 3 30.267 30.267 35.814 -5.547 19792 5631 1 12 . 1 1 3 3 MET H H 3 8.407 8.407 8.754 -0.347 19792 5632 1 12 . 1 1 4 4 VAL N N 4 121.985 121.985 121.035 0.950 19792 5633 1 12 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.268 -0.276 19792 5634 1 12 . 1 1 4 4 VAL C C 4 173.161 173.161 175.890 -2.729 19792 5635 1 12 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.815 -3.626 19792 5636 1 12 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.440 -2.127 19792 5637 1 12 . 1 1 4 4 VAL H H 4 8.170 8.170 8.539 -0.369 19792 5638 1 12 . 1 1 5 5 GLU N N 5 124.990 124.990 123.542 1.448 19792 5639 1 12 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.529 -0.367 19792 5640 1 12 . 1 1 5 5 GLU C C 5 173.208 173.208 175.286 -2.078 19792 5641 1 12 . 1 1 5 5 GLU CA C 5 53.271 53.271 56.054 -2.783 19792 5642 1 12 . 1 1 5 5 GLU CB C 5 27.861 27.861 28.040 -0.179 19792 5643 1 12 . 1 1 5 5 GLU H H 5 8.469 8.469 8.614 -0.145 19792 5644 1 12 . 1 1 6 6 ALA N N 6 124.750 124.750 123.925 0.825 19792 5645 1 12 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.564 -0.429 19792 5646 1 12 . 1 1 6 6 ALA C C 6 174.516 174.516 176.447 -1.931 19792 5647 1 12 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.850 -2.279 19792 5648 1 12 . 1 1 6 6 ALA CB C 6 16.604 16.604 20.971 -4.367 19792 5649 1 12 . 1 1 6 6 ALA H H 6 8.229 8.229 7.646 0.584 19792 5650 1 12 . 1 1 7 7 ASP N N 7 119.477 119.477 118.912 0.565 19792 5651 1 12 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.660 -0.230 19792 5652 1 12 . 1 1 7 7 ASP C C 7 173.005 173.005 174.535 -1.530 19792 5653 1 12 . 1 1 7 7 ASP CA C 7 51.032 51.032 54.524 -3.492 19792 5654 1 12 . 1 1 7 7 ASP CB C 7 38.658 38.658 41.064 -2.406 19792 5655 1 12 . 1 1 7 7 ASP H H 7 8.172 8.172 8.476 -0.304 19792 5656 1 12 . 1 1 8 8 ARG N N 8 121.454 121.454 121.021 0.433 19792 5657 1 12 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.629 -0.526 19792 5658 1 12 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.460 0.248 19792 5659 1 12 . 1 1 8 8 ARG CB C 8 27.813 27.813 31.786 -3.973 19792 5660 1 12 . 1 1 8 8 ARG H H 8 8.168 8.168 8.003 0.165 19792 5661 1 12 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.525 -0.112 19792 5662 1 12 . 1 1 9 9 PRO C C 9 174.662 174.662 177.512 -2.850 19792 5663 1 12 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.745 -1.939 19792 5664 1 12 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.948 -1.478 19792 5665 1 12 . 1 1 10 10 GLY N N 10 108.287 108.287 114.005 -5.718 19792 5666 1 12 . 1 1 10 10 GLY C C 10 169.715 169.715 174.374 -4.659 19792 5667 1 12 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.972 -3.443 19792 5668 1 12 . 1 1 10 10 GLY H H 10 8.769 8.769 8.334 0.435 19792 5669 1 12 . 1 1 11 11 LYS N N 11 122.177 122.177 121.065 1.112 19792 5670 1 12 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.096 0.768 19792 5671 1 12 . 1 1 11 11 LYS C C 11 172.419 172.419 176.011 -3.592 19792 5672 1 12 . 1 1 11 11 LYS CA C 11 53.417 53.417 57.550 -4.133 19792 5673 1 12 . 1 1 11 11 LYS CB C 11 32.058 32.058 32.816 -0.758 19792 5674 1 12 . 1 1 11 11 LYS H H 11 7.753 7.753 7.778 -0.025 19792 5675 1 12 . 1 1 12 12 LEU N N 12 127.116 127.116 124.535 2.581 19792 5676 1 12 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.647 0.292 19792 5677 1 12 . 1 1 12 12 LEU C C 12 173.185 173.185 174.523 -1.338 19792 5678 1 12 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.458 -3.157 19792 5679 1 12 . 1 1 12 12 LEU CB C 12 42.075 42.075 46.704 -4.629 19792 5680 1 12 . 1 1 12 12 LEU H H 12 9.465 9.465 8.306 1.159 19792 5681 1 12 . 1 1 13 13 PHE N N 13 122.922 122.922 122.467 0.455 19792 5682 1 12 . 1 1 13 13 PHE HA H 13 4.712 4.712 5.102 -0.390 19792 5683 1 12 . 1 1 13 13 PHE C C 13 170.330 170.330 173.084 -2.754 19792 5684 1 12 . 1 1 13 13 PHE CA C 13 54.041 54.041 56.496 -2.455 19792 5685 1 12 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.698 -5.178 19792 5686 1 12 . 1 1 13 13 PHE H H 13 9.213 9.213 9.138 0.075 19792 5687 1 12 . 1 1 14 14 ILE N N 14 128.128 128.128 125.352 2.776 19792 5688 1 12 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.278 -0.463 19792 5689 1 12 . 1 1 14 14 ILE C C 14 171.441 171.441 174.803 -3.362 19792 5690 1 12 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.692 -4.281 19792 5691 1 12 . 1 1 14 14 ILE CB C 14 36.448 36.448 42.019 -5.571 19792 5692 1 12 . 1 1 14 14 ILE H H 14 8.304 8.304 8.465 -0.161 19792 5693 1 12 . 1 1 15 15 GLY N N 15 110.945 110.945 111.830 -0.885 19792 5694 1 12 . 1 1 15 15 GLY C C 15 170.863 170.863 173.621 -2.758 19792 5695 1 12 . 1 1 15 15 GLY CA C 15 40.913 40.913 43.917 -3.005 19792 5696 1 12 . 1 1 15 15 GLY H H 15 8.965 8.965 9.120 -0.155 19792 5697 1 12 . 1 1 16 16 GLY N N 16 107.025 107.025 109.648 -2.623 19792 5698 1 12 . 1 1 16 16 GLY C C 16 172.134 172.134 174.167 -2.033 19792 5699 1 12 . 1 1 16 16 GLY CA C 16 42.862 42.862 44.976 -2.114 19792 5700 1 12 . 1 1 16 16 GLY H H 16 7.865 7.865 8.890 -1.025 19792 5701 1 12 . 1 1 17 17 LEU N N 17 115.104 115.104 119.404 -4.300 19792 5702 1 12 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.433 -0.521 19792 5703 1 12 . 1 1 17 17 LEU C C 17 176.024 176.024 176.726 -0.702 19792 5704 1 12 . 1 1 17 17 LEU CA C 17 51.583 51.583 53.609 -2.026 19792 5705 1 12 . 1 1 17 17 LEU CB C 17 40.169 40.169 41.878 -1.709 19792 5706 1 12 . 1 1 17 17 LEU H H 17 7.521 7.521 7.769 -0.248 19792 5707 1 12 . 1 1 18 18 ASN N N 18 120.666 120.666 117.362 3.304 19792 5708 1 12 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.696 -0.310 19792 5709 1 12 . 1 1 18 18 ASN C C 18 176.199 176.199 176.258 -0.059 19792 5710 1 12 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.263 -2.961 19792 5711 1 12 . 1 1 18 18 ASN CB C 18 35.692 35.692 40.062 -4.370 19792 5712 1 12 . 1 1 18 18 ASN H H 18 9.528 9.528 8.410 1.118 19792 5713 1 12 . 1 1 19 19 THR N N 19 123.230 123.230 111.648 11.582 19792 5714 1 12 . 1 1 19 19 THR HA H 19 3.699 3.699 4.288 -0.589 19792 5715 1 12 . 1 1 19 19 THR C C 19 172.195 172.195 174.385 -2.190 19792 5716 1 12 . 1 1 19 19 THR CA C 19 62.512 62.512 63.730 -1.218 19792 5717 1 12 . 1 1 19 19 THR CB C 19 65.438 65.438 68.889 -3.451 19792 5718 1 12 . 1 1 19 19 THR H H 19 8.809 8.809 8.689 0.120 19792 5719 1 12 . 1 1 20 20 GLU N N 20 118.055 118.055 118.812 -0.757 19792 5720 1 12 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.517 -0.341 19792 5721 1 12 . 1 1 20 20 GLU C C 20 174.826 174.826 175.166 -0.340 19792 5722 1 12 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.735 -2.554 19792 5723 1 12 . 1 1 20 20 GLU CB C 20 27.076 27.076 29.740 -2.664 19792 5724 1 12 . 1 1 20 20 GLU H H 20 8.703 8.703 8.174 0.529 19792 5725 1 12 . 1 1 21 21 THR N N 21 119.209 119.209 118.101 1.108 19792 5726 1 12 . 1 1 21 21 THR HA H 21 3.930 3.930 4.257 -0.327 19792 5727 1 12 . 1 1 21 21 THR C C 21 171.688 171.688 173.460 -1.772 19792 5728 1 12 . 1 1 21 21 THR CA C 21 61.882 61.882 63.954 -2.072 19792 5729 1 12 . 1 1 21 21 THR CB C 21 65.397 65.397 69.402 -4.005 19792 5730 1 12 . 1 1 21 21 THR H H 21 7.514 7.514 7.578 -0.064 19792 5731 1 12 . 1 1 22 22 ASN N N 22 126.624 126.624 121.661 4.963 19792 5732 1 12 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.913 -0.144 19792 5733 1 12 . 1 1 22 22 ASN C C 22 172.032 172.032 175.687 -3.655 19792 5734 1 12 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.176 -4.470 19792 5735 1 12 . 1 1 22 22 ASN CB C 22 37.373 37.373 41.663 -4.290 19792 5736 1 12 . 1 1 22 22 ASN H H 22 8.031 8.031 8.252 -0.221 19792 5737 1 12 . 1 1 23 23 GLU N N 23 118.056 118.056 121.333 -3.277 19792 5738 1 12 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.867 -0.300 19792 5739 1 12 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.928 -2.144 19792 5740 1 12 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.588 -3.726 19792 5741 1 12 . 1 1 23 23 GLU H H 23 10.151 10.151 9.012 1.139 19792 5742 1 12 . 1 1 24 24 LYS N N 24 118.897 118.897 118.135 0.762 19792 5743 1 12 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.239 -0.234 19792 5744 1 12 . 1 1 24 24 LYS C C 24 176.843 176.843 177.782 -0.939 19792 5745 1 12 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.587 -2.857 19792 5746 1 12 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.603 -2.232 19792 5747 1 12 . 1 1 24 24 LYS H H 24 7.839 7.839 8.451 -0.612 19792 5748 1 12 . 1 1 25 25 ALA N N 25 123.210 123.210 121.903 1.307 19792 5749 1 12 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.197 -0.028 19792 5750 1 12 . 1 1 25 25 ALA C C 25 178.048 178.048 179.824 -1.776 19792 5751 1 12 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.376 -2.508 19792 5752 1 12 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.797 -2.658 19792 5753 1 12 . 1 1 25 25 ALA H H 25 7.827 7.827 7.495 0.332 19792 5754 1 12 . 1 1 26 26 LEU N N 26 116.466 116.466 119.045 -2.579 19792 5755 1 12 . 1 1 26 26 LEU HA H 26 4.024 4.024 3.949 0.075 19792 5756 1 12 . 1 1 26 26 LEU C C 26 176.375 176.375 179.284 -2.909 19792 5757 1 12 . 1 1 26 26 LEU CA C 26 54.958 54.958 58.069 -3.111 19792 5758 1 12 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.518 -1.817 19792 5759 1 12 . 1 1 26 26 LEU H H 26 7.652 7.652 7.912 -0.260 19792 5760 1 12 . 1 1 27 27 GLU N N 27 119.789 119.789 118.091 1.698 19792 5761 1 12 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.913 -0.322 19792 5762 1 12 . 1 1 27 27 GLU C C 27 176.206 176.206 178.273 -2.067 19792 5763 1 12 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.602 -2.530 19792 5764 1 12 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.474 -2.407 19792 5765 1 12 . 1 1 27 27 GLU H H 27 8.480 8.480 8.453 0.027 19792 5766 1 12 . 1 1 28 28 ALA N N 28 120.599 120.599 119.960 0.639 19792 5767 1 12 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.336 -0.297 19792 5768 1 12 . 1 1 28 28 ALA C C 28 177.506 177.506 179.786 -2.280 19792 5769 1 12 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.118 -2.211 19792 5770 1 12 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.787 -3.380 19792 5771 1 12 . 1 1 28 28 ALA H H 28 7.837 7.837 7.696 0.141 19792 5772 1 12 . 1 1 29 29 VAL N N 29 115.536 115.536 120.049 -4.513 19792 5773 1 12 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.614 0.212 19792 5774 1 12 . 1 1 29 29 VAL C C 29 174.998 174.998 177.759 -2.761 19792 5775 1 12 . 1 1 29 29 VAL CA C 29 61.999 61.999 66.395 -4.396 19792 5776 1 12 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.629 -1.751 19792 5777 1 12 . 1 1 29 29 VAL H H 29 7.626 7.626 7.764 -0.138 19792 5778 1 12 . 1 1 30 30 PHE N N 30 115.465 115.465 114.987 0.478 19792 5779 1 12 . 1 1 30 30 PHE HA H 30 4.482 4.482 4.985 -0.503 19792 5780 1 12 . 1 1 30 30 PHE C C 30 174.725 174.725 177.754 -3.029 19792 5781 1 12 . 1 1 30 30 PHE CA C 30 59.628 59.628 59.122 0.506 19792 5782 1 12 . 1 1 30 30 PHE CB C 30 35.394 35.394 39.714 -4.320 19792 5783 1 12 . 1 1 30 30 PHE H H 30 8.514 8.514 8.165 0.349 19792 5784 1 12 . 1 1 31 31 GLY N N 31 108.299 108.299 108.069 0.230 19792 5785 1 12 . 1 1 31 31 GLY C C 31 172.455 172.455 175.185 -2.730 19792 5786 1 12 . 1 1 31 31 GLY CA C 31 43.505 43.505 46.696 -3.191 19792 5787 1 12 . 1 1 31 31 GLY H H 31 8.294 8.294 8.066 0.228 19792 5788 1 12 . 1 1 32 32 LYS N N 32 117.309 117.309 120.437 -3.128 19792 5789 1 12 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.026 -0.100 19792 5790 1 12 . 1 1 32 32 LYS C C 32 174.779 174.779 176.025 -1.246 19792 5791 1 12 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.894 -3.194 19792 5792 1 12 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.114 -2.179 19792 5793 1 12 . 1 1 32 32 LYS H H 32 6.846 6.846 7.965 -1.119 19792 5794 1 12 . 1 1 33 33 TYR N N 33 115.635 115.635 117.454 -1.819 19792 5795 1 12 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.726 -0.609 19792 5796 1 12 . 1 1 33 33 TYR C C 33 171.935 171.935 174.504 -2.569 19792 5797 1 12 . 1 1 33 33 TYR CA C 33 56.609 56.609 58.287 -1.678 19792 5798 1 12 . 1 1 33 33 TYR CB C 33 35.735 35.735 40.289 -4.554 19792 5799 1 12 . 1 1 33 33 TYR H H 33 7.593 7.593 7.548 0.045 19792 5800 1 12 . 1 1 34 34 GLY N N 34 104.503 104.503 105.278 -0.775 19792 5801 1 12 . 1 1 34 34 GLY C C 34 168.962 168.962 173.607 -4.645 19792 5802 1 12 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.021 -3.458 19792 5803 1 12 . 1 1 34 34 GLY H H 34 7.253 7.253 7.833 -0.580 19792 5804 1 12 . 1 1 35 35 ARG N N 35 116.679 116.679 117.562 -0.883 19792 5805 1 12 . 1 1 35 35 ARG HA H 35 4.115 4.115 3.770 0.345 19792 5806 1 12 . 1 1 35 35 ARG C C 35 174.272 174.272 173.760 0.512 19792 5807 1 12 . 1 1 35 35 ARG CA C 35 54.785 54.785 57.101 -2.316 19792 5808 1 12 . 1 1 35 35 ARG CB C 35 27.958 27.958 29.456 -1.498 19792 5809 1 12 . 1 1 35 35 ARG H H 35 8.196 8.196 8.150 0.046 19792 5810 1 12 . 1 1 36 36 ILE N N 36 128.885 128.885 117.818 11.067 19792 5811 1 12 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.165 -0.338 19792 5812 1 12 . 1 1 36 36 ILE C C 36 173.725 173.725 175.367 -1.642 19792 5813 1 12 . 1 1 36 36 ILE CA C 36 57.740 57.740 60.181 -2.441 19792 5814 1 12 . 1 1 36 36 ILE CB C 36 37.006 37.006 40.934 -3.928 19792 5815 1 12 . 1 1 36 36 ILE H H 36 8.760 8.760 7.987 0.773 19792 5816 1 12 . 1 1 37 37 VAL N N 37 122.612 122.612 117.791 4.821 19792 5817 1 12 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.377 -0.294 19792 5818 1 12 . 1 1 37 37 VAL C C 37 172.917 172.917 175.621 -2.704 19792 5819 1 12 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.163 -1.817 19792 5820 1 12 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.487 -3.112 19792 5821 1 12 . 1 1 37 37 VAL H H 37 8.751 8.751 8.162 0.589 19792 5822 1 12 . 1 1 38 38 GLU N N 38 118.683 118.683 120.262 -1.579 19792 5823 1 12 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.581 -0.213 19792 5824 1 12 . 1 1 38 38 GLU C C 38 170.647 170.647 174.152 -3.505 19792 5825 1 12 . 1 1 38 38 GLU CA C 38 53.636 53.636 56.864 -3.228 19792 5826 1 12 . 1 1 38 38 GLU CB C 38 31.112 31.112 33.433 -2.321 19792 5827 1 12 . 1 1 38 38 GLU H H 38 7.075 7.075 7.763 -0.688 19792 5828 1 12 . 1 1 39 39 VAL N N 39 125.880 125.880 123.331 2.549 19792 5829 1 12 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.289 0.030 19792 5830 1 12 . 1 1 39 39 VAL C C 39 170.693 170.693 174.062 -3.369 19792 5831 1 12 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.802 -2.746 19792 5832 1 12 . 1 1 39 39 VAL CB C 39 31.077 31.077 33.918 -2.841 19792 5833 1 12 . 1 1 39 39 VAL H H 39 8.509 8.509 8.596 -0.087 19792 5834 1 12 . 1 1 40 40 LEU N N 40 129.331 129.331 130.230 -0.899 19792 5835 1 12 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.805 -0.130 19792 5836 1 12 . 1 1 40 40 LEU C C 40 171.627 171.627 174.517 -2.890 19792 5837 1 12 . 1 1 40 40 LEU CA C 40 50.744 50.744 53.300 -2.556 19792 5838 1 12 . 1 1 40 40 LEU CB C 40 42.066 42.066 43.337 -1.271 19792 5839 1 12 . 1 1 40 40 LEU H H 40 8.928 8.928 8.909 0.019 19792 5840 1 12 . 1 1 41 41 LEU N N 41 128.574 128.574 126.169 2.405 19792 5841 1 12 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.442 -0.102 19792 5842 1 12 . 1 1 41 41 LEU C C 41 172.935 172.935 175.679 -2.744 19792 5843 1 12 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.441 -3.565 19792 5844 1 12 . 1 1 41 41 LEU CB C 41 41.547 41.547 44.119 -2.572 19792 5845 1 12 . 1 1 41 41 LEU H H 41 9.023 9.023 8.472 0.551 19792 5846 1 12 . 1 1 42 42 MET N N 42 125.617 125.617 124.608 1.009 19792 5847 1 12 . 1 1 42 42 MET HA H 42 4.357 4.357 4.603 -0.246 19792 5848 1 12 . 1 1 42 42 MET C C 42 172.606 172.606 174.788 -2.182 19792 5849 1 12 . 1 1 42 42 MET CA C 42 51.857 51.857 53.234 -1.377 19792 5850 1 12 . 1 1 42 42 MET CB C 42 27.700 27.700 31.980 -4.280 19792 5851 1 12 . 1 1 42 42 MET H H 42 7.988 7.988 8.191 -0.203 19792 5852 1 12 . 1 1 43 43 LYS N N 43 121.956 121.956 124.063 -2.107 19792 5853 1 12 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.890 -0.131 19792 5854 1 12 . 1 1 43 43 LYS C C 43 173.591 173.591 175.763 -2.172 19792 5855 1 12 . 1 1 43 43 LYS CA C 43 51.608 51.608 55.062 -3.454 19792 5856 1 12 . 1 1 43 43 LYS CB C 43 33.447 33.447 34.928 -1.480 19792 5857 1 12 . 1 1 43 43 LYS H H 43 8.289 8.289 8.450 -0.161 19792 5858 1 12 . 1 1 44 44 ASP N N 44 123.608 123.608 123.545 0.063 19792 5859 1 12 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.566 -0.095 19792 5860 1 12 . 1 1 44 44 ASP C C 44 174.790 174.790 177.090 -2.300 19792 5861 1 12 . 1 1 44 44 ASP CA C 44 51.279 51.279 55.028 -3.749 19792 5862 1 12 . 1 1 44 44 ASP CB C 44 40.177 40.177 43.001 -2.824 19792 5863 1 12 . 1 1 44 44 ASP H H 44 8.693 8.693 8.834 -0.141 19792 5864 1 12 . 1 1 45 45 ARG N N 45 126.884 126.884 121.688 5.196 19792 5865 1 12 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.148 -0.172 19792 5866 1 12 . 1 1 45 45 ARG C C 45 174.578 174.578 177.911 -3.333 19792 5867 1 12 . 1 1 45 45 ARG CA C 45 55.637 55.637 58.054 -2.417 19792 5868 1 12 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.126 -2.582 19792 5869 1 12 . 1 1 45 45 ARG H H 45 8.875 8.875 8.704 0.171 19792 5870 1 12 . 1 1 46 46 GLU N N 46 117.313 117.313 119.257 -1.944 19792 5871 1 12 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.192 -0.010 19792 5872 1 12 . 1 1 46 46 GLU C C 46 175.625 175.625 177.383 -1.758 19792 5873 1 12 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.832 -3.204 19792 5874 1 12 . 1 1 46 46 GLU CB C 46 27.597 27.597 29.902 -2.305 19792 5875 1 12 . 1 1 46 46 GLU H H 46 8.561 8.561 7.935 0.626 19792 5876 1 12 . 1 1 47 47 THR N N 47 107.019 107.019 110.602 -3.583 19792 5877 1 12 . 1 1 47 47 THR HA H 47 4.277 4.277 4.378 -0.101 19792 5878 1 12 . 1 1 47 47 THR C C 47 173.242 173.242 173.417 -0.175 19792 5879 1 12 . 1 1 47 47 THR CA C 47 58.709 58.709 62.298 -3.589 19792 5880 1 12 . 1 1 47 47 THR CB C 47 67.971 67.971 68.550 -0.579 19792 5881 1 12 . 1 1 47 47 THR H H 47 8.053 8.053 7.771 0.282 19792 5882 1 12 . 1 1 48 48 ASN N N 48 117.468 117.468 117.302 0.166 19792 5883 1 12 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.397 -0.062 19792 5884 1 12 . 1 1 48 48 ASN C C 48 171.106 171.106 174.358 -3.252 19792 5885 1 12 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.583 -2.453 19792 5886 1 12 . 1 1 48 48 ASN CB C 48 35.645 35.645 37.634 -1.989 19792 5887 1 12 . 1 1 48 48 ASN H H 48 8.230 8.230 8.299 -0.069 19792 5888 1 12 . 1 1 49 49 LYS N N 49 117.523 117.523 117.105 0.418 19792 5889 1 12 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.102 0.194 19792 5890 1 12 . 1 1 49 49 LYS C C 49 173.910 173.910 176.376 -2.466 19792 5891 1 12 . 1 1 49 49 LYS CA C 49 52.763 52.763 56.733 -3.970 19792 5892 1 12 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.539 -2.500 19792 5893 1 12 . 1 1 49 49 LYS H H 49 7.517 7.517 7.685 -0.168 19792 5894 1 12 . 1 1 50 50 SER N N 50 115.960 115.960 115.345 0.615 19792 5895 1 12 . 1 1 50 50 SER HA H 50 4.197 4.197 4.422 -0.225 19792 5896 1 12 . 1 1 50 50 SER C C 50 173.417 173.417 175.439 -2.022 19792 5897 1 12 . 1 1 50 50 SER CA C 50 55.614 55.614 58.414 -2.800 19792 5898 1 12 . 1 1 50 50 SER CB C 50 61.524 61.524 63.684 -2.160 19792 5899 1 12 . 1 1 50 50 SER H H 50 8.705 8.705 8.250 0.455 19792 5900 1 12 . 1 1 51 51 ARG N N 51 124.058 124.058 124.147 -0.089 19792 5901 1 12 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.408 -0.100 19792 5902 1 12 . 1 1 51 51 ARG C C 51 174.657 174.657 177.132 -2.475 19792 5903 1 12 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.396 -2.003 19792 5904 1 12 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.365 -1.586 19792 5905 1 12 . 1 1 51 51 ARG H H 51 9.023 9.023 8.452 0.571 19792 5906 1 12 . 1 1 52 52 GLY N N 52 106.703 106.703 108.070 -1.367 19792 5907 1 12 . 1 1 52 52 GLY C C 52 168.863 168.863 173.161 -4.298 19792 5908 1 12 . 1 1 52 52 GLY CA C 52 42.919 42.919 45.820 -2.901 19792 5909 1 12 . 1 1 52 52 GLY H H 52 9.129 9.129 8.559 0.570 19792 5910 1 12 . 1 1 53 53 PHE N N 53 112.307 112.307 115.667 -3.360 19792 5911 1 12 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.360 -0.117 19792 5912 1 12 . 1 1 53 53 PHE C C 53 169.552 169.552 172.543 -2.991 19792 5913 1 12 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.682 -2.587 19792 5914 1 12 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.350 -2.436 19792 5915 1 12 . 1 1 53 53 PHE H H 53 6.845 6.845 7.294 -0.449 19792 5916 1 12 . 1 1 54 54 ALA N N 54 120.987 120.987 120.902 0.085 19792 5917 1 12 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.423 0.471 19792 5918 1 12 . 1 1 54 54 ALA C C 54 171.062 171.062 174.420 -3.358 19792 5919 1 12 . 1 1 54 54 ALA CA C 54 47.049 47.049 50.724 -3.675 19792 5920 1 12 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.467 0.359 19792 5921 1 12 . 1 1 54 54 ALA H H 54 8.970 8.970 8.656 0.314 19792 5922 1 12 . 1 1 55 55 PHE N N 55 114.157 114.157 117.839 -3.682 19792 5923 1 12 . 1 1 55 55 PHE HA H 55 5.768 5.768 5.229 0.539 19792 5924 1 12 . 1 1 55 55 PHE C C 55 173.605 173.605 173.123 0.482 19792 5925 1 12 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.901 -3.821 19792 5926 1 12 . 1 1 55 55 PHE CB C 55 40.029 40.029 43.730 -3.701 19792 5927 1 12 . 1 1 55 55 PHE H H 55 8.837 8.837 8.459 0.378 19792 5928 1 12 . 1 1 56 56 VAL N N 56 123.812 123.812 116.524 7.288 19792 5929 1 12 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.394 0.080 19792 5930 1 12 . 1 1 56 56 VAL C C 56 171.401 171.401 173.162 -1.761 19792 5931 1 12 . 1 1 56 56 VAL CA C 56 57.848 57.848 59.766 -1.917 19792 5932 1 12 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.505 -2.978 19792 5933 1 12 . 1 1 56 56 VAL H H 56 8.558 8.558 7.867 0.691 19792 5934 1 12 . 1 1 57 57 THR N N 57 123.000 123.000 118.541 4.459 19792 5935 1 12 . 1 1 57 57 THR HA H 57 4.974 4.974 4.678 0.296 19792 5936 1 12 . 1 1 57 57 THR C C 57 171.340 171.340 173.766 -2.426 19792 5937 1 12 . 1 1 57 57 THR CA C 57 58.659 58.659 61.114 -2.455 19792 5938 1 12 . 1 1 57 57 THR CB C 57 66.662 66.662 69.964 -3.302 19792 5939 1 12 . 1 1 57 57 THR H H 57 8.808 8.808 8.394 0.414 19792 5940 1 12 . 1 1 58 58 PHE N N 58 128.385 128.385 125.260 3.125 19792 5941 1 12 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.494 0.189 19792 5942 1 12 . 1 1 58 58 PHE C C 58 172.367 172.367 177.560 -5.193 19792 5943 1 12 . 1 1 58 58 PHE CA C 58 55.449 55.449 55.826 -0.377 19792 5944 1 12 . 1 1 58 58 PHE CB C 58 37.909 37.909 39.228 -1.319 19792 5945 1 12 . 1 1 58 58 PHE H H 58 8.835 8.835 8.898 -0.063 19792 5946 1 12 . 1 1 59 59 GLU N N 59 121.627 121.627 121.511 0.116 19792 5947 1 12 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.092 -0.326 19792 5948 1 12 . 1 1 59 59 GLU C C 59 173.666 173.666 176.168 -2.502 19792 5949 1 12 . 1 1 59 59 GLU CA C 59 56.293 56.293 58.569 -2.276 19792 5950 1 12 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.483 -2.696 19792 5951 1 12 . 1 1 59 59 GLU H H 59 8.067 8.067 8.838 -0.771 19792 5952 1 12 . 1 1 60 60 SER N N 60 112.302 112.302 111.690 0.612 19792 5953 1 12 . 1 1 60 60 SER HA H 60 5.163 5.163 4.791 0.372 19792 5954 1 12 . 1 1 60 60 SER CA C 60 50.137 50.137 54.301 -4.164 19792 5955 1 12 . 1 1 60 60 SER CB C 60 61.350 61.350 64.578 -3.228 19792 5956 1 12 . 1 1 60 60 SER H H 60 9.333 9.333 7.892 1.441 19792 5957 1 12 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.450 -0.452 19792 5958 1 12 . 1 1 61 61 PRO CA C 61 61.850 61.850 64.799 -2.949 19792 5959 1 12 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.081 -2.690 19792 5960 1 12 . 1 1 62 62 ALA N N 62 121.088 121.088 121.178 -0.090 19792 5961 1 12 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.096 -0.164 19792 5962 1 12 . 1 1 62 62 ALA C C 62 176.826 176.826 179.514 -2.688 19792 5963 1 12 . 1 1 62 62 ALA CA C 62 52.266 52.266 54.811 -2.545 19792 5964 1 12 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.845 -3.227 19792 5965 1 12 . 1 1 62 62 ALA H H 62 7.821 7.821 8.133 -0.312 19792 5966 1 12 . 1 1 63 63 ASP N N 63 120.099 120.099 120.541 -0.442 19792 5967 1 12 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.487 -0.395 19792 5968 1 12 . 1 1 63 63 ASP C C 63 174.505 174.505 177.561 -3.056 19792 5969 1 12 . 1 1 63 63 ASP CA C 63 53.809 53.809 57.307 -3.498 19792 5970 1 12 . 1 1 63 63 ASP CB C 63 37.374 37.374 40.466 -3.092 19792 5971 1 12 . 1 1 63 63 ASP H H 63 6.960 6.960 7.870 -0.910 19792 5972 1 12 . 1 1 64 64 ALA N N 64 119.533 119.533 118.778 0.755 19792 5973 1 12 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.675 -0.534 19792 5974 1 12 . 1 1 64 64 ALA C C 64 176.037 176.037 177.115 -1.078 19792 5975 1 12 . 1 1 64 64 ALA CA C 64 51.399 51.399 53.056 -1.657 19792 5976 1 12 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.087 -2.522 19792 5977 1 12 . 1 1 64 64 ALA H H 64 6.771 6.771 7.617 -0.846 19792 5978 1 12 . 1 1 65 65 LYS N N 65 117.395 117.395 117.876 -0.481 19792 5979 1 12 . 1 1 65 65 LYS HA H 65 3.727 3.727 4.148 -0.421 19792 5980 1 12 . 1 1 65 65 LYS C C 65 176.716 176.716 178.070 -1.354 19792 5981 1 12 . 1 1 65 65 LYS CA C 65 56.684 56.684 58.026 -1.342 19792 5982 1 12 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.880 -3.697 19792 5983 1 12 . 1 1 65 65 LYS H H 65 7.478 7.478 7.694 -0.216 19792 5984 1 12 . 1 1 66 66 ASP N N 66 120.839 120.839 119.820 1.019 19792 5985 1 12 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.561 -0.378 19792 5986 1 12 . 1 1 66 66 ASP C C 66 175.111 175.111 178.233 -3.122 19792 5987 1 12 . 1 1 66 66 ASP CA C 66 54.430 54.430 56.777 -2.347 19792 5988 1 12 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.616 -2.896 19792 5989 1 12 . 1 1 66 66 ASP H H 66 7.403 7.403 7.875 -0.472 19792 5990 1 12 . 1 1 67 67 ALA N N 67 122.056 122.056 122.172 -0.116 19792 5991 1 12 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.451 -1.291 19792 5992 1 12 . 1 1 67 67 ALA C C 67 176.448 176.448 178.783 -2.335 19792 5993 1 12 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.989 -3.690 19792 5994 1 12 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.269 -1.016 19792 5995 1 12 . 1 1 67 67 ALA H H 67 7.737 7.737 7.743 -0.006 19792 5996 1 12 . 1 1 68 68 ALA N N 68 118.624 118.624 117.028 1.596 19792 5997 1 12 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.119 -0.420 19792 5998 1 12 . 1 1 68 68 ALA C C 68 176.619 176.619 178.136 -1.517 19792 5999 1 12 . 1 1 68 68 ALA CA C 68 52.280 52.280 53.452 -1.172 19792 6000 1 12 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.293 -3.443 19792 6001 1 12 . 1 1 68 68 ALA H H 68 8.108 8.108 7.665 0.443 19792 6002 1 12 . 1 1 69 69 ARG N N 69 116.265 116.265 115.703 0.562 19792 6003 1 12 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.465 -0.533 19792 6004 1 12 . 1 1 69 69 ARG C C 69 175.857 175.857 176.192 -0.335 19792 6005 1 12 . 1 1 69 69 ARG CA C 69 55.734 55.734 56.444 -0.710 19792 6006 1 12 . 1 1 69 69 ARG CB C 69 27.249 27.249 31.381 -4.133 19792 6007 1 12 . 1 1 69 69 ARG H H 69 7.599 7.599 7.693 -0.094 19792 6008 1 12 . 1 1 70 70 ASP N N 70 116.202 116.202 117.823 -1.621 19792 6009 1 12 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.799 -0.244 19792 6010 1 12 . 1 1 70 70 ASP C C 70 174.867 174.867 176.492 -1.625 19792 6011 1 12 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.219 -1.905 19792 6012 1 12 . 1 1 70 70 ASP CB C 70 39.839 39.839 42.948 -3.109 19792 6013 1 12 . 1 1 70 70 ASP H H 70 7.657 7.657 7.778 -0.121 19792 6014 1 12 . 1 1 71 71 MET N N 71 111.561 111.561 118.088 -6.527 19792 6015 1 12 . 1 1 71 71 MET HA H 71 4.742 4.742 4.510 0.232 19792 6016 1 12 . 1 1 71 71 MET C C 71 175.174 175.174 174.625 0.549 19792 6017 1 12 . 1 1 71 71 MET CA C 71 50.378 50.378 55.516 -5.138 19792 6018 1 12 . 1 1 71 71 MET CB C 71 29.047 29.047 33.778 -4.731 19792 6019 1 12 . 1 1 71 71 MET H H 71 8.069 8.069 7.722 0.347 19792 6020 1 12 . 1 1 72 72 ASN N N 72 116.196 116.196 118.953 -2.757 19792 6021 1 12 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.671 -0.390 19792 6022 1 12 . 1 1 72 72 ASN C C 72 173.812 173.812 176.088 -2.276 19792 6023 1 12 . 1 1 72 72 ASN CA C 72 53.826 53.826 53.973 -0.147 19792 6024 1 12 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.427 -2.542 19792 6025 1 12 . 1 1 72 72 ASN H H 72 7.442 7.442 7.615 -0.173 19792 6026 1 12 . 1 1 73 73 GLY N N 73 116.956 116.956 107.809 9.147 19792 6027 1 12 . 1 1 73 73 GLY C C 73 171.629 171.629 174.139 -2.510 19792 6028 1 12 . 1 1 73 73 GLY CA C 73 43.091 43.091 46.162 -3.071 19792 6029 1 12 . 1 1 73 73 GLY H H 73 8.884 8.884 8.601 0.283 19792 6030 1 12 . 1 1 74 74 LYS N N 74 120.829 120.829 118.182 2.647 19792 6031 1 12 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.732 -0.492 19792 6032 1 12 . 1 1 74 74 LYS C C 74 172.132 172.132 175.187 -3.055 19792 6033 1 12 . 1 1 74 74 LYS CA C 74 52.333 52.333 54.158 -1.825 19792 6034 1 12 . 1 1 74 74 LYS CB C 74 30.131 30.131 35.534 -5.403 19792 6035 1 12 . 1 1 74 74 LYS H H 74 7.797 7.797 7.386 0.411 19792 6036 1 12 . 1 1 75 75 SER N N 75 112.883 112.883 116.370 -3.487 19792 6037 1 12 . 1 1 75 75 SER HA H 75 4.940 4.940 5.224 -0.284 19792 6038 1 12 . 1 1 75 75 SER C C 75 171.838 171.838 173.928 -2.090 19792 6039 1 12 . 1 1 75 75 SER CA C 75 54.722 54.722 57.670 -2.949 19792 6040 1 12 . 1 1 75 75 SER CB C 75 61.242 61.242 64.281 -3.038 19792 6041 1 12 . 1 1 75 75 SER H H 75 8.037 8.037 8.376 -0.339 19792 6042 1 12 . 1 1 76 76 LEU N N 76 127.669 127.669 125.244 2.425 19792 6043 1 12 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.630 -0.194 19792 6044 1 12 . 1 1 76 76 LEU C C 76 173.849 173.849 176.028 -2.179 19792 6045 1 12 . 1 1 76 76 LEU CA C 76 51.775 51.775 54.938 -3.163 19792 6046 1 12 . 1 1 76 76 LEU CB C 76 41.886 41.886 43.518 -1.632 19792 6047 1 12 . 1 1 76 76 LEU H H 76 8.988 8.988 8.894 0.094 19792 6048 1 12 . 1 1 77 77 ASP N N 77 129.054 129.054 126.202 2.852 19792 6049 1 12 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.309 -0.135 19792 6050 1 12 . 1 1 77 77 ASP C C 77 173.415 173.415 176.257 -2.842 19792 6051 1 12 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.407 -2.531 19792 6052 1 12 . 1 1 77 77 ASP CB C 77 36.413 36.413 40.520 -4.107 19792 6053 1 12 . 1 1 77 77 ASP H H 77 9.523 9.523 9.095 0.428 19792 6054 1 12 . 1 1 78 78 GLY N N 78 101.915 101.915 104.166 -2.251 19792 6055 1 12 . 1 1 78 78 GLY C C 78 170.989 170.989 173.978 -2.989 19792 6056 1 12 . 1 1 78 78 GLY CA C 78 42.769 42.769 44.941 -2.172 19792 6057 1 12 . 1 1 78 78 GLY H H 78 8.396 8.396 8.189 0.207 19792 6058 1 12 . 1 1 79 79 LYS N N 79 119.791 119.791 121.819 -2.028 19792 6059 1 12 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.532 0.014 19792 6060 1 12 . 1 1 79 79 LYS C C 79 171.513 171.513 175.605 -4.092 19792 6061 1 12 . 1 1 79 79 LYS CA C 79 50.277 50.277 54.475 -4.198 19792 6062 1 12 . 1 1 79 79 LYS CB C 79 31.955 31.955 33.172 -1.217 19792 6063 1 12 . 1 1 79 79 LYS H H 79 7.269 7.269 7.943 -0.674 19792 6064 1 12 . 1 1 80 80 ALA N N 80 125.002 125.002 127.798 -2.796 19792 6065 1 12 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.510 -0.145 19792 6066 1 12 . 1 1 80 80 ALA C C 80 175.007 175.007 176.813 -1.806 19792 6067 1 12 . 1 1 80 80 ALA CA C 80 48.381 48.381 51.775 -3.394 19792 6068 1 12 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.486 -3.271 19792 6069 1 12 . 1 1 80 80 ALA H H 80 8.235 8.235 8.774 -0.539 19792 6070 1 12 . 1 1 81 81 ILE N N 81 119.947 119.947 119.498 0.449 19792 6071 1 12 . 1 1 81 81 ILE HA H 81 4.614 4.614 5.179 -0.565 19792 6072 1 12 . 1 1 81 81 ILE C C 81 172.389 172.389 174.371 -1.982 19792 6073 1 12 . 1 1 81 81 ILE CA C 81 57.921 57.921 59.554 -1.633 19792 6074 1 12 . 1 1 81 81 ILE CB C 81 37.547 37.547 40.764 -3.217 19792 6075 1 12 . 1 1 81 81 ILE H H 81 8.204 8.204 8.562 -0.358 19792 6076 1 12 . 1 1 82 82 LYS N N 82 123.700 123.700 125.708 -2.008 19792 6077 1 12 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.760 0.086 19792 6078 1 12 . 1 1 82 82 LYS C C 82 172.571 172.571 174.670 -2.099 19792 6079 1 12 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.032 -3.691 19792 6080 1 12 . 1 1 82 82 LYS CB C 82 31.948 31.948 34.373 -2.425 19792 6081 1 12 . 1 1 82 82 LYS H H 82 8.460 8.460 8.958 -0.498 19792 6082 1 12 . 1 1 83 83 VAL N N 83 123.707 123.707 128.038 -4.331 19792 6083 1 12 . 1 1 83 83 VAL HA H 83 5.068 5.068 4.784 0.284 19792 6084 1 12 . 1 1 83 83 VAL C C 83 171.831 171.831 175.873 -4.042 19792 6085 1 12 . 1 1 83 83 VAL CA C 83 57.954 57.954 62.108 -4.154 19792 6086 1 12 . 1 1 83 83 VAL CB C 83 31.979 31.979 33.268 -1.289 19792 6087 1 12 . 1 1 83 83 VAL H H 83 8.653 8.653 8.702 -0.049 19792 6088 1 12 . 1 1 84 84 GLU N N 84 123.150 123.150 125.454 -2.304 19792 6089 1 12 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.752 -0.068 19792 6090 1 12 . 1 1 84 84 GLU C C 84 172.141 172.141 175.214 -3.073 19792 6091 1 12 . 1 1 84 84 GLU CA C 84 51.305 51.305 53.551 -2.246 19792 6092 1 12 . 1 1 84 84 GLU CB C 84 31.690 31.690 33.506 -1.816 19792 6093 1 12 . 1 1 84 84 GLU H H 84 8.977 8.977 9.104 -0.127 19792 6094 1 12 . 1 1 85 85 GLN N N 85 121.740 121.740 118.594 3.146 19792 6095 1 12 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.487 -0.238 19792 6096 1 12 . 1 1 85 85 GLN C C 85 173.263 173.263 175.589 -2.326 19792 6097 1 12 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.619 -0.362 19792 6098 1 12 . 1 1 85 85 GLN CB C 85 26.519 26.519 30.310 -3.791 19792 6099 1 12 . 1 1 85 85 GLN H H 85 8.835 8.835 8.469 0.366 19792 6100 1 12 . 1 1 86 86 ALA N N 86 127.885 127.885 123.874 4.011 19792 6101 1 12 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.625 -0.191 19792 6102 1 12 . 1 1 86 86 ALA C C 86 174.487 174.487 176.220 -1.733 19792 6103 1 12 . 1 1 86 86 ALA CA C 86 50.016 50.016 51.743 -1.727 19792 6104 1 12 . 1 1 86 86 ALA CB C 86 16.340 16.340 18.860 -2.520 19792 6105 1 12 . 1 1 86 86 ALA H H 86 8.608 8.608 8.175 0.433 19792 6106 1 12 . 1 1 87 87 THR N N 87 113.372 113.372 115.919 -2.547 19792 6107 1 12 . 1 1 87 87 THR HA H 87 4.339 4.339 4.401 -0.062 19792 6108 1 12 . 1 1 87 87 THR C C 87 171.331 171.331 172.707 -1.376 19792 6109 1 12 . 1 1 87 87 THR CA C 87 58.219 58.219 61.443 -3.224 19792 6110 1 12 . 1 1 87 87 THR CB C 87 67.397 67.397 70.363 -2.966 19792 6111 1 12 . 1 1 87 87 THR H H 87 8.271 8.271 8.004 0.267 19792 6112 1 12 . 1 1 88 88 LYS N N 88 123.502 123.502 120.767 2.735 19792 6113 1 12 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.769 -0.296 19792 6114 1 12 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.561 -1.950 19792 6115 1 12 . 1 1 88 88 LYS CB C 88 29.867 29.867 31.889 -2.022 19792 6116 1 12 . 1 1 88 88 LYS H H 88 8.203 8.203 8.362 -0.159 19792 6117 1 12 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.248 -0.054 19792 6118 1 12 . 1 1 89 89 PRO C C 89 173.726 173.726 177.174 -3.448 19792 6119 1 12 . 1 1 89 89 PRO CA C 89 60.070 60.070 64.021 -3.951 19792 6120 1 12 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.053 -2.738 19792 6121 1 12 . 1 1 90 90 SER N N 90 115.260 115.260 111.689 3.571 19792 6122 1 12 . 1 1 90 90 SER HA H 90 4.229 4.229 4.683 -0.454 19792 6123 1 12 . 1 1 90 90 SER C C 90 171.123 171.123 173.291 -2.168 19792 6124 1 12 . 1 1 90 90 SER CA C 90 55.017 55.017 57.749 -2.732 19792 6125 1 12 . 1 1 90 90 SER CB C 90 60.977 60.977 65.354 -4.377 19792 6126 1 12 . 1 1 90 90 SER H H 90 7.991 7.991 7.721 0.270 19792 6127 1 12 . 1 1 91 91 PHE N N 91 121.128 121.128 122.011 -0.883 19792 6128 1 12 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.707 -0.180 19792 6129 1 12 . 1 1 91 91 PHE C C 91 171.798 171.798 176.214 -4.416 19792 6130 1 12 . 1 1 91 91 PHE CA C 91 54.467 54.467 57.737 -3.270 19792 6131 1 12 . 1 1 91 91 PHE CB C 91 37.008 37.008 40.260 -3.252 19792 6132 1 12 . 1 1 91 91 PHE H H 91 8.004 8.004 8.676 -0.672 19792 6133 1 13 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.309 0.287 19792 6134 1 13 . 1 1 2 2 HIS C C 2 171.930 171.930 174.363 -2.433 19792 6135 1 13 . 1 1 2 2 HIS CA C 2 52.879 52.879 56.231 -3.353 19792 6136 1 13 . 1 1 2 2 HIS CB C 2 27.693 27.693 29.027 -1.334 19792 6137 1 13 . 1 1 3 3 MET N N 3 122.778 122.778 120.980 1.798 19792 6138 1 13 . 1 1 3 3 MET HA H 3 4.365 4.365 4.576 -0.211 19792 6139 1 13 . 1 1 3 3 MET C C 3 173.051 173.051 176.206 -3.155 19792 6140 1 13 . 1 1 3 3 MET CA C 3 52.457 52.457 55.233 -2.776 19792 6141 1 13 . 1 1 3 3 MET CB C 3 30.267 30.267 32.509 -2.242 19792 6142 1 13 . 1 1 3 3 MET H H 3 8.407 8.407 7.958 0.449 19792 6143 1 13 . 1 1 4 4 VAL N N 4 121.985 121.985 122.919 -0.934 19792 6144 1 13 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.196 -0.204 19792 6145 1 13 . 1 1 4 4 VAL C C 4 173.161 173.161 175.358 -2.197 19792 6146 1 13 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.870 -3.681 19792 6147 1 13 . 1 1 4 4 VAL CB C 4 30.313 30.313 33.060 -2.747 19792 6148 1 13 . 1 1 4 4 VAL H H 4 8.170 8.170 8.466 -0.296 19792 6149 1 13 . 1 1 5 5 GLU N N 5 124.990 124.990 124.033 0.957 19792 6150 1 13 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.431 -0.269 19792 6151 1 13 . 1 1 5 5 GLU C C 5 173.208 173.208 175.559 -2.351 19792 6152 1 13 . 1 1 5 5 GLU CA C 5 53.271 53.271 56.256 -2.985 19792 6153 1 13 . 1 1 5 5 GLU CB C 5 27.861 27.861 28.220 -0.358 19792 6154 1 13 . 1 1 5 5 GLU H H 5 8.469 8.469 8.472 -0.003 19792 6155 1 13 . 1 1 6 6 ALA N N 6 124.750 124.750 127.567 -2.817 19792 6156 1 13 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.406 -0.271 19792 6157 1 13 . 1 1 6 6 ALA C C 6 174.516 174.516 176.877 -2.361 19792 6158 1 13 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.404 -1.833 19792 6159 1 13 . 1 1 6 6 ALA CB C 6 16.604 16.604 21.040 -4.436 19792 6160 1 13 . 1 1 6 6 ALA H H 6 8.229 8.229 7.779 0.450 19792 6161 1 13 . 1 1 7 7 ASP N N 7 119.477 119.477 121.508 -2.031 19792 6162 1 13 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.619 -0.189 19792 6163 1 13 . 1 1 7 7 ASP C C 7 173.005 173.005 175.200 -2.195 19792 6164 1 13 . 1 1 7 7 ASP CA C 7 51.032 51.032 53.574 -2.542 19792 6165 1 13 . 1 1 7 7 ASP CB C 7 38.658 38.658 40.205 -1.547 19792 6166 1 13 . 1 1 7 7 ASP H H 7 8.172 8.172 8.352 -0.180 19792 6167 1 13 . 1 1 8 8 ARG N N 8 121.454 121.454 121.084 0.370 19792 6168 1 13 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.640 -0.537 19792 6169 1 13 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.762 -0.054 19792 6170 1 13 . 1 1 8 8 ARG CB C 8 27.813 27.813 31.523 -3.710 19792 6171 1 13 . 1 1 8 8 ARG H H 8 8.168 8.168 7.440 0.728 19792 6172 1 13 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.551 -0.138 19792 6173 1 13 . 1 1 9 9 PRO C C 9 174.662 174.662 176.828 -2.166 19792 6174 1 13 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.995 -2.189 19792 6175 1 13 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.154 -0.682 19792 6176 1 13 . 1 1 10 10 GLY N N 10 108.287 108.287 110.510 -2.223 19792 6177 1 13 . 1 1 10 10 GLY C C 10 169.715 169.715 174.569 -4.854 19792 6178 1 13 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.877 -3.348 19792 6179 1 13 . 1 1 10 10 GLY H H 10 8.769 8.769 8.258 0.511 19792 6180 1 13 . 1 1 11 11 LYS N N 11 122.177 122.177 119.580 2.597 19792 6181 1 13 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.662 0.202 19792 6182 1 13 . 1 1 11 11 LYS C C 11 172.419 172.419 176.298 -3.879 19792 6183 1 13 . 1 1 11 11 LYS CA C 11 53.417 53.417 57.132 -3.715 19792 6184 1 13 . 1 1 11 11 LYS CB C 11 32.058 32.058 33.219 -1.161 19792 6185 1 13 . 1 1 11 11 LYS H H 11 7.753 7.753 7.904 -0.151 19792 6186 1 13 . 1 1 12 12 LEU N N 12 127.116 127.116 123.443 3.673 19792 6187 1 13 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.753 0.186 19792 6188 1 13 . 1 1 12 12 LEU C C 12 173.185 173.185 175.992 -2.807 19792 6189 1 13 . 1 1 12 12 LEU CA C 12 50.301 50.301 52.676 -2.375 19792 6190 1 13 . 1 1 12 12 LEU CB C 12 42.075 42.075 45.484 -3.409 19792 6191 1 13 . 1 1 12 12 LEU H H 12 9.465 9.465 8.989 0.476 19792 6192 1 13 . 1 1 13 13 PHE N N 13 122.922 122.922 120.691 2.231 19792 6193 1 13 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.812 -0.100 19792 6194 1 13 . 1 1 13 13 PHE C C 13 170.330 170.330 173.361 -3.031 19792 6195 1 13 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.603 -3.562 19792 6196 1 13 . 1 1 13 13 PHE CB C 13 38.520 38.520 42.270 -3.750 19792 6197 1 13 . 1 1 13 13 PHE H H 13 9.213 9.213 8.430 0.783 19792 6198 1 13 . 1 1 14 14 ILE N N 14 128.128 128.128 126.167 1.961 19792 6199 1 13 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.443 -0.628 19792 6200 1 13 . 1 1 14 14 ILE C C 14 171.441 171.441 175.304 -3.863 19792 6201 1 13 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.161 -3.750 19792 6202 1 13 . 1 1 14 14 ILE CB C 14 36.448 36.448 41.794 -5.346 19792 6203 1 13 . 1 1 14 14 ILE H H 14 8.304 8.304 9.002 -0.698 19792 6204 1 13 . 1 1 15 15 GLY N N 15 110.945 110.945 110.173 0.772 19792 6205 1 13 . 1 1 15 15 GLY C C 15 170.863 170.863 174.091 -3.228 19792 6206 1 13 . 1 1 15 15 GLY CA C 15 40.913 40.913 44.062 -3.149 19792 6207 1 13 . 1 1 15 15 GLY H H 15 8.965 8.965 8.706 0.259 19792 6208 1 13 . 1 1 16 16 GLY N N 16 107.025 107.025 107.583 -0.558 19792 6209 1 13 . 1 1 16 16 GLY C C 16 172.134 172.134 174.621 -2.487 19792 6210 1 13 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.570 -2.708 19792 6211 1 13 . 1 1 16 16 GLY H H 16 7.865 7.865 8.171 -0.306 19792 6212 1 13 . 1 1 17 17 LEU N N 17 115.104 115.104 118.317 -3.213 19792 6213 1 13 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.271 -0.359 19792 6214 1 13 . 1 1 17 17 LEU C C 17 176.024 176.024 176.761 -0.737 19792 6215 1 13 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.772 -3.189 19792 6216 1 13 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.532 -2.363 19792 6217 1 13 . 1 1 17 17 LEU H H 17 7.521 7.521 7.881 -0.360 19792 6218 1 13 . 1 1 18 18 ASN N N 18 120.666 120.666 117.414 3.252 19792 6219 1 13 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.636 -0.250 19792 6220 1 13 . 1 1 18 18 ASN C C 18 176.199 176.199 176.335 -0.136 19792 6221 1 13 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.558 -3.256 19792 6222 1 13 . 1 1 18 18 ASN CB C 18 35.692 35.692 39.897 -4.205 19792 6223 1 13 . 1 1 18 18 ASN H H 18 9.528 9.528 8.643 0.885 19792 6224 1 13 . 1 1 19 19 THR N N 19 123.230 123.230 109.494 13.736 19792 6225 1 13 . 1 1 19 19 THR HA H 19 3.699 3.699 4.739 -1.040 19792 6226 1 13 . 1 1 19 19 THR C C 19 172.195 172.195 175.072 -2.877 19792 6227 1 13 . 1 1 19 19 THR CA C 19 62.512 62.512 62.978 -0.466 19792 6228 1 13 . 1 1 19 19 THR CB C 19 65.438 65.438 69.444 -4.006 19792 6229 1 13 . 1 1 19 19 THR H H 19 8.809 8.809 8.334 0.475 19792 6230 1 13 . 1 1 20 20 GLU N N 20 118.055 118.055 121.605 -3.550 19792 6231 1 13 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.596 -0.420 19792 6232 1 13 . 1 1 20 20 GLU C C 20 174.826 174.826 175.794 -0.968 19792 6233 1 13 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.125 -1.944 19792 6234 1 13 . 1 1 20 20 GLU CB C 20 27.076 27.076 29.803 -2.727 19792 6235 1 13 . 1 1 20 20 GLU H H 20 8.703 8.703 8.266 0.437 19792 6236 1 13 . 1 1 21 21 THR N N 21 119.209 119.209 117.677 1.532 19792 6237 1 13 . 1 1 21 21 THR HA H 21 3.930 3.930 4.462 -0.532 19792 6238 1 13 . 1 1 21 21 THR C C 21 171.688 171.688 173.307 -1.619 19792 6239 1 13 . 1 1 21 21 THR CA C 21 61.882 61.882 62.438 -0.555 19792 6240 1 13 . 1 1 21 21 THR CB C 21 65.397 65.397 69.835 -4.438 19792 6241 1 13 . 1 1 21 21 THR H H 21 7.514 7.514 7.976 -0.462 19792 6242 1 13 . 1 1 22 22 ASN N N 22 126.624 126.624 124.023 2.601 19792 6243 1 13 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.954 -0.185 19792 6244 1 13 . 1 1 22 22 ASN C C 22 172.032 172.032 176.121 -4.089 19792 6245 1 13 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.131 -4.425 19792 6246 1 13 . 1 1 22 22 ASN CB C 22 37.373 37.373 42.209 -4.836 19792 6247 1 13 . 1 1 22 22 ASN H H 22 8.031 8.031 8.467 -0.436 19792 6248 1 13 . 1 1 23 23 GLU N N 23 118.056 118.056 122.911 -4.855 19792 6249 1 13 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.902 -0.335 19792 6250 1 13 . 1 1 23 23 GLU CA C 23 58.784 58.784 61.193 -2.409 19792 6251 1 13 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.228 -3.366 19792 6252 1 13 . 1 1 23 23 GLU H H 23 10.151 10.151 8.939 1.212 19792 6253 1 13 . 1 1 24 24 LYS N N 24 118.897 118.897 116.992 1.905 19792 6254 1 13 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.241 -0.236 19792 6255 1 13 . 1 1 24 24 LYS C C 24 176.843 176.843 178.276 -1.433 19792 6256 1 13 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.791 -3.061 19792 6257 1 13 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.848 -2.477 19792 6258 1 13 . 1 1 24 24 LYS H H 24 7.839 7.839 8.264 -0.425 19792 6259 1 13 . 1 1 25 25 ALA N N 25 123.210 123.210 122.274 0.936 19792 6260 1 13 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.150 0.019 19792 6261 1 13 . 1 1 25 25 ALA C C 25 178.048 178.048 179.714 -1.666 19792 6262 1 13 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.361 -2.493 19792 6263 1 13 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.823 -2.684 19792 6264 1 13 . 1 1 25 25 ALA H H 25 7.827 7.827 7.531 0.296 19792 6265 1 13 . 1 1 26 26 LEU N N 26 116.466 116.466 119.471 -3.005 19792 6266 1 13 . 1 1 26 26 LEU HA H 26 4.024 4.024 4.002 0.022 19792 6267 1 13 . 1 1 26 26 LEU C C 26 176.375 176.375 179.074 -2.699 19792 6268 1 13 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.768 -2.810 19792 6269 1 13 . 1 1 26 26 LEU CB C 26 39.701 39.701 40.634 -0.933 19792 6270 1 13 . 1 1 26 26 LEU H H 26 7.652 7.652 8.047 -0.395 19792 6271 1 13 . 1 1 27 27 GLU N N 27 119.789 119.789 119.078 0.711 19792 6272 1 13 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.944 -0.353 19792 6273 1 13 . 1 1 27 27 GLU C C 27 176.206 176.206 179.066 -2.860 19792 6274 1 13 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.663 -2.591 19792 6275 1 13 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.273 -2.206 19792 6276 1 13 . 1 1 27 27 GLU H H 27 8.480 8.480 8.343 0.137 19792 6277 1 13 . 1 1 28 28 ALA N N 28 120.599 120.599 121.289 -0.690 19792 6278 1 13 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.198 -0.159 19792 6279 1 13 . 1 1 28 28 ALA C C 28 177.506 177.506 179.542 -2.036 19792 6280 1 13 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.859 -2.952 19792 6281 1 13 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.399 -2.992 19792 6282 1 13 . 1 1 28 28 ALA H H 28 7.837 7.837 7.634 0.203 19792 6283 1 13 . 1 1 29 29 VAL N N 29 115.536 115.536 118.658 -3.122 19792 6284 1 13 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.554 0.272 19792 6285 1 13 . 1 1 29 29 VAL C C 29 174.998 174.998 177.517 -2.519 19792 6286 1 13 . 1 1 29 29 VAL CA C 29 61.999 61.999 66.171 -4.172 19792 6287 1 13 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.831 -1.953 19792 6288 1 13 . 1 1 29 29 VAL H H 29 7.626 7.626 7.331 0.295 19792 6289 1 13 . 1 1 30 30 PHE N N 30 115.465 115.465 114.270 1.195 19792 6290 1 13 . 1 1 30 30 PHE HA H 30 4.482 4.482 4.884 -0.402 19792 6291 1 13 . 1 1 30 30 PHE C C 30 174.725 174.725 178.190 -3.465 19792 6292 1 13 . 1 1 30 30 PHE CA C 30 59.628 59.628 59.026 0.602 19792 6293 1 13 . 1 1 30 30 PHE CB C 30 35.394 35.394 39.669 -4.275 19792 6294 1 13 . 1 1 30 30 PHE H H 30 8.514 8.514 8.056 0.458 19792 6295 1 13 . 1 1 31 31 GLY N N 31 108.299 108.299 108.567 -0.268 19792 6296 1 13 . 1 1 31 31 GLY C C 31 172.455 172.455 175.329 -2.874 19792 6297 1 13 . 1 1 31 31 GLY CA C 31 43.505 43.505 46.729 -3.224 19792 6298 1 13 . 1 1 31 31 GLY H H 31 8.294 8.294 8.207 0.087 19792 6299 1 13 . 1 1 32 32 LYS N N 32 117.309 117.309 118.875 -1.566 19792 6300 1 13 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.136 -0.210 19792 6301 1 13 . 1 1 32 32 LYS C C 32 174.779 174.779 175.761 -0.982 19792 6302 1 13 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.514 -2.814 19792 6303 1 13 . 1 1 32 32 LYS CB C 32 28.935 28.935 30.544 -1.609 19792 6304 1 13 . 1 1 32 32 LYS H H 32 6.846 6.846 7.804 -0.958 19792 6305 1 13 . 1 1 33 33 TYR N N 33 115.635 115.635 117.455 -1.820 19792 6306 1 13 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.575 -0.458 19792 6307 1 13 . 1 1 33 33 TYR C C 33 171.935 171.935 175.273 -3.338 19792 6308 1 13 . 1 1 33 33 TYR CA C 33 56.609 56.609 57.671 -1.062 19792 6309 1 13 . 1 1 33 33 TYR CB C 33 35.735 35.735 40.610 -4.875 19792 6310 1 13 . 1 1 33 33 TYR H H 33 7.593 7.593 7.840 -0.247 19792 6311 1 13 . 1 1 34 34 GLY N N 34 104.503 104.503 108.606 -4.103 19792 6312 1 13 . 1 1 34 34 GLY C C 34 168.962 168.962 173.380 -4.418 19792 6313 1 13 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.560 -3.997 19792 6314 1 13 . 1 1 34 34 GLY H H 34 7.253 7.253 7.831 -0.578 19792 6315 1 13 . 1 1 35 35 ARG N N 35 116.679 116.679 121.509 -4.830 19792 6316 1 13 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.741 -0.626 19792 6317 1 13 . 1 1 35 35 ARG C C 35 174.272 174.272 174.263 0.009 19792 6318 1 13 . 1 1 35 35 ARG CA C 35 54.785 54.785 56.148 -1.363 19792 6319 1 13 . 1 1 35 35 ARG CB C 35 27.958 27.958 33.092 -5.134 19792 6320 1 13 . 1 1 35 35 ARG H H 35 8.196 8.196 9.018 -0.822 19792 6321 1 13 . 1 1 36 36 ILE N N 36 128.885 128.885 125.707 3.178 19792 6322 1 13 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.619 -0.792 19792 6323 1 13 . 1 1 36 36 ILE C C 36 173.725 173.725 176.352 -2.627 19792 6324 1 13 . 1 1 36 36 ILE CA C 36 57.740 57.740 61.737 -3.997 19792 6325 1 13 . 1 1 36 36 ILE CB C 36 37.006 37.006 39.449 -2.443 19792 6326 1 13 . 1 1 36 36 ILE H H 36 8.760 8.760 8.779 -0.019 19792 6327 1 13 . 1 1 37 37 VAL N N 37 122.612 122.612 118.741 3.871 19792 6328 1 13 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.449 -0.366 19792 6329 1 13 . 1 1 37 37 VAL C C 37 172.917 172.917 175.689 -2.772 19792 6330 1 13 . 1 1 37 37 VAL CA C 37 59.346 59.346 62.071 -2.725 19792 6331 1 13 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.693 -3.318 19792 6332 1 13 . 1 1 37 37 VAL H H 37 8.751 8.751 8.795 -0.044 19792 6333 1 13 . 1 1 38 38 GLU N N 38 118.683 118.683 120.583 -1.900 19792 6334 1 13 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.611 -0.243 19792 6335 1 13 . 1 1 38 38 GLU C C 38 170.647 170.647 174.000 -3.353 19792 6336 1 13 . 1 1 38 38 GLU CA C 38 53.636 53.636 55.590 -1.954 19792 6337 1 13 . 1 1 38 38 GLU CB C 38 31.112 31.112 34.425 -3.313 19792 6338 1 13 . 1 1 38 38 GLU H H 38 7.075 7.075 7.575 -0.500 19792 6339 1 13 . 1 1 39 39 VAL N N 39 125.880 125.880 122.207 3.673 19792 6340 1 13 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.377 -0.058 19792 6341 1 13 . 1 1 39 39 VAL C C 39 170.693 170.693 174.394 -3.701 19792 6342 1 13 . 1 1 39 39 VAL CA C 39 59.056 59.056 60.829 -1.773 19792 6343 1 13 . 1 1 39 39 VAL CB C 39 31.077 31.077 34.454 -3.377 19792 6344 1 13 . 1 1 39 39 VAL H H 39 8.509 8.509 8.290 0.219 19792 6345 1 13 . 1 1 40 40 LEU N N 40 129.331 129.331 128.679 0.652 19792 6346 1 13 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.634 0.041 19792 6347 1 13 . 1 1 40 40 LEU C C 40 171.627 171.627 174.373 -2.746 19792 6348 1 13 . 1 1 40 40 LEU CA C 40 50.744 50.744 54.156 -3.412 19792 6349 1 13 . 1 1 40 40 LEU CB C 40 42.066 42.066 45.432 -3.366 19792 6350 1 13 . 1 1 40 40 LEU H H 40 8.928 8.928 8.818 0.110 19792 6351 1 13 . 1 1 41 41 LEU N N 41 128.574 128.574 126.565 2.009 19792 6352 1 13 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.509 -0.169 19792 6353 1 13 . 1 1 41 41 LEU C C 41 172.935 172.935 175.316 -2.381 19792 6354 1 13 . 1 1 41 41 LEU CA C 41 50.876 50.876 53.452 -2.576 19792 6355 1 13 . 1 1 41 41 LEU CB C 41 41.547 41.547 43.961 -2.414 19792 6356 1 13 . 1 1 41 41 LEU H H 41 9.023 9.023 8.383 0.640 19792 6357 1 13 . 1 1 42 42 MET N N 42 125.617 125.617 124.020 1.597 19792 6358 1 13 . 1 1 42 42 MET HA H 42 4.357 4.357 4.254 0.103 19792 6359 1 13 . 1 1 42 42 MET C C 42 172.606 172.606 175.390 -2.784 19792 6360 1 13 . 1 1 42 42 MET CA C 42 51.857 51.857 53.719 -1.862 19792 6361 1 13 . 1 1 42 42 MET CB C 42 27.700 27.700 30.305 -2.605 19792 6362 1 13 . 1 1 42 42 MET H H 42 7.988 7.988 7.987 0.001 19792 6363 1 13 . 1 1 43 43 LYS N N 43 121.956 121.956 124.934 -2.978 19792 6364 1 13 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.800 -0.041 19792 6365 1 13 . 1 1 43 43 LYS C C 43 173.591 173.591 176.491 -2.900 19792 6366 1 13 . 1 1 43 43 LYS CA C 43 51.608 51.608 55.595 -3.987 19792 6367 1 13 . 1 1 43 43 LYS CB C 43 33.447 33.447 34.581 -1.134 19792 6368 1 13 . 1 1 43 43 LYS H H 43 8.289 8.289 8.294 -0.005 19792 6369 1 13 . 1 1 44 44 ASP N N 44 123.608 123.608 123.077 0.531 19792 6370 1 13 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.559 -0.088 19792 6371 1 13 . 1 1 44 44 ASP C C 44 174.790 174.790 176.513 -1.723 19792 6372 1 13 . 1 1 44 44 ASP CA C 44 51.279 51.279 54.425 -3.146 19792 6373 1 13 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.578 -2.401 19792 6374 1 13 . 1 1 44 44 ASP H H 44 8.693 8.693 8.774 -0.081 19792 6375 1 13 . 1 1 45 45 ARG N N 45 126.884 126.884 118.725 8.159 19792 6376 1 13 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.465 -0.489 19792 6377 1 13 . 1 1 45 45 ARG C C 45 174.578 174.578 176.830 -2.252 19792 6378 1 13 . 1 1 45 45 ARG CA C 45 55.637 55.637 56.795 -1.158 19792 6379 1 13 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.106 -2.562 19792 6380 1 13 . 1 1 45 45 ARG H H 45 8.875 8.875 8.672 0.203 19792 6381 1 13 . 1 1 46 46 GLU N N 46 117.313 117.313 121.082 -3.769 19792 6382 1 13 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.234 -0.052 19792 6383 1 13 . 1 1 46 46 GLU C C 46 175.625 175.625 176.808 -1.183 19792 6384 1 13 . 1 1 46 46 GLU CA C 46 55.628 55.628 57.924 -2.296 19792 6385 1 13 . 1 1 46 46 GLU CB C 46 27.597 27.597 30.035 -2.438 19792 6386 1 13 . 1 1 46 46 GLU H H 46 8.561 8.561 8.231 0.330 19792 6387 1 13 . 1 1 47 47 THR N N 47 107.019 107.019 111.767 -4.748 19792 6388 1 13 . 1 1 47 47 THR HA H 47 4.277 4.277 4.449 -0.172 19792 6389 1 13 . 1 1 47 47 THR C C 47 173.242 173.242 173.592 -0.350 19792 6390 1 13 . 1 1 47 47 THR CA C 47 58.709 58.709 61.650 -2.941 19792 6391 1 13 . 1 1 47 47 THR CB C 47 67.971 67.971 68.575 -0.604 19792 6392 1 13 . 1 1 47 47 THR H H 47 8.053 8.053 7.744 0.309 19792 6393 1 13 . 1 1 48 48 ASN N N 48 117.468 117.468 118.735 -1.267 19792 6394 1 13 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.311 0.024 19792 6395 1 13 . 1 1 48 48 ASN C C 48 171.106 171.106 174.187 -3.081 19792 6396 1 13 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.770 -2.640 19792 6397 1 13 . 1 1 48 48 ASN CB C 48 35.645 35.645 38.303 -2.659 19792 6398 1 13 . 1 1 48 48 ASN H H 48 8.230 8.230 8.660 -0.430 19792 6399 1 13 . 1 1 49 49 LYS N N 49 117.523 117.523 117.701 -0.178 19792 6400 1 13 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.264 0.032 19792 6401 1 13 . 1 1 49 49 LYS C C 49 173.910 173.910 177.229 -3.319 19792 6402 1 13 . 1 1 49 49 LYS CA C 49 52.763 52.763 57.007 -4.244 19792 6403 1 13 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.039 -2.001 19792 6404 1 13 . 1 1 49 49 LYS H H 49 7.517 7.517 7.880 -0.363 19792 6405 1 13 . 1 1 50 50 SER N N 50 115.960 115.960 117.810 -1.850 19792 6406 1 13 . 1 1 50 50 SER HA H 50 4.197 4.197 4.596 -0.399 19792 6407 1 13 . 1 1 50 50 SER C C 50 173.417 173.417 175.899 -2.482 19792 6408 1 13 . 1 1 50 50 SER CA C 50 55.614 55.614 59.336 -3.722 19792 6409 1 13 . 1 1 50 50 SER CB C 50 61.524 61.524 63.701 -2.177 19792 6410 1 13 . 1 1 50 50 SER H H 50 8.705 8.705 8.443 0.262 19792 6411 1 13 . 1 1 51 51 ARG N N 51 124.058 124.058 124.035 0.023 19792 6412 1 13 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.343 -0.035 19792 6413 1 13 . 1 1 51 51 ARG C C 51 174.657 174.657 177.450 -2.793 19792 6414 1 13 . 1 1 51 51 ARG CA C 51 53.393 53.393 57.216 -3.823 19792 6415 1 13 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.715 -1.936 19792 6416 1 13 . 1 1 51 51 ARG H H 51 9.023 9.023 8.818 0.205 19792 6417 1 13 . 1 1 52 52 GLY N N 52 106.703 106.703 106.000 0.703 19792 6418 1 13 . 1 1 52 52 GLY C C 52 168.863 168.863 173.670 -4.807 19792 6419 1 13 . 1 1 52 52 GLY CA C 52 42.919 42.919 44.995 -2.076 19792 6420 1 13 . 1 1 52 52 GLY H H 52 9.129 9.129 8.673 0.456 19792 6421 1 13 . 1 1 53 53 PHE N N 53 112.307 112.307 115.991 -3.684 19792 6422 1 13 . 1 1 53 53 PHE HA H 53 5.243 5.243 4.951 0.292 19792 6423 1 13 . 1 1 53 53 PHE C C 53 169.552 169.552 172.112 -2.560 19792 6424 1 13 . 1 1 53 53 PHE CA C 53 52.095 52.095 55.318 -3.223 19792 6425 1 13 . 1 1 53 53 PHE CB C 53 38.914 38.914 40.592 -1.678 19792 6426 1 13 . 1 1 53 53 PHE H H 53 6.845 6.845 7.500 -0.655 19792 6427 1 13 . 1 1 54 54 ALA N N 54 120.987 120.987 121.801 -0.814 19792 6428 1 13 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.283 0.611 19792 6429 1 13 . 1 1 54 54 ALA C C 54 171.062 171.062 174.115 -3.053 19792 6430 1 13 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.399 -4.350 19792 6431 1 13 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.323 0.503 19792 6432 1 13 . 1 1 54 54 ALA H H 54 8.970 8.970 8.468 0.502 19792 6433 1 13 . 1 1 55 55 PHE N N 55 114.157 114.157 119.524 -5.367 19792 6434 1 13 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.842 0.926 19792 6435 1 13 . 1 1 55 55 PHE C C 55 173.605 173.605 172.949 0.656 19792 6436 1 13 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.672 -3.592 19792 6437 1 13 . 1 1 55 55 PHE CB C 55 40.029 40.029 43.065 -3.036 19792 6438 1 13 . 1 1 55 55 PHE H H 55 8.837 8.837 8.504 0.333 19792 6439 1 13 . 1 1 56 56 VAL N N 56 123.812 123.812 120.801 3.011 19792 6440 1 13 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.343 0.131 19792 6441 1 13 . 1 1 56 56 VAL C C 56 171.401 171.401 173.348 -1.947 19792 6442 1 13 . 1 1 56 56 VAL CA C 56 57.848 57.848 58.891 -1.043 19792 6443 1 13 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.136 -2.610 19792 6444 1 13 . 1 1 56 56 VAL H H 56 8.558 8.558 8.160 0.398 19792 6445 1 13 . 1 1 57 57 THR N N 57 123.000 123.000 118.632 4.368 19792 6446 1 13 . 1 1 57 57 THR HA H 57 4.974 4.974 4.695 0.279 19792 6447 1 13 . 1 1 57 57 THR C C 57 171.340 171.340 173.141 -1.801 19792 6448 1 13 . 1 1 57 57 THR CA C 57 58.659 58.659 61.394 -2.735 19792 6449 1 13 . 1 1 57 57 THR CB C 57 66.662 66.662 70.200 -3.538 19792 6450 1 13 . 1 1 57 57 THR H H 57 8.808 8.808 8.146 0.662 19792 6451 1 13 . 1 1 58 58 PHE N N 58 128.385 128.385 126.146 2.239 19792 6452 1 13 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.732 -0.049 19792 6453 1 13 . 1 1 58 58 PHE C C 58 172.367 172.367 176.939 -4.572 19792 6454 1 13 . 1 1 58 58 PHE CA C 58 55.449 55.449 57.814 -2.365 19792 6455 1 13 . 1 1 58 58 PHE CB C 58 37.909 37.909 39.631 -1.722 19792 6456 1 13 . 1 1 58 58 PHE H H 58 8.835 8.835 8.696 0.139 19792 6457 1 13 . 1 1 59 59 GLU N N 59 121.627 121.627 122.727 -1.100 19792 6458 1 13 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.032 -0.266 19792 6459 1 13 . 1 1 59 59 GLU C C 59 173.666 173.666 176.141 -2.475 19792 6460 1 13 . 1 1 59 59 GLU CA C 59 56.293 56.293 59.348 -3.055 19792 6461 1 13 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.165 -2.378 19792 6462 1 13 . 1 1 59 59 GLU H H 59 8.067 8.067 8.935 -0.868 19792 6463 1 13 . 1 1 60 60 SER N N 60 112.302 112.302 111.342 0.960 19792 6464 1 13 . 1 1 60 60 SER HA H 60 5.163 5.163 4.904 0.259 19792 6465 1 13 . 1 1 60 60 SER CA C 60 50.137 50.137 55.841 -5.704 19792 6466 1 13 . 1 1 60 60 SER CB C 60 61.350 61.350 65.408 -4.058 19792 6467 1 13 . 1 1 60 60 SER H H 60 9.333 9.333 7.943 1.390 19792 6468 1 13 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.370 -0.372 19792 6469 1 13 . 1 1 61 61 PRO CA C 61 61.850 61.850 64.234 -2.384 19792 6470 1 13 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.066 -2.675 19792 6471 1 13 . 1 1 62 62 ALA N N 62 121.088 121.088 118.329 2.759 19792 6472 1 13 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.137 -0.205 19792 6473 1 13 . 1 1 62 62 ALA C C 62 176.826 176.826 178.046 -1.220 19792 6474 1 13 . 1 1 62 62 ALA CA C 62 52.266 52.266 53.451 -1.185 19792 6475 1 13 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.369 -2.752 19792 6476 1 13 . 1 1 62 62 ALA H H 62 7.821 7.821 8.044 -0.223 19792 6477 1 13 . 1 1 63 63 ASP N N 63 120.099 120.099 119.685 0.414 19792 6478 1 13 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.402 -0.310 19792 6479 1 13 . 1 1 63 63 ASP C C 63 174.505 174.505 176.810 -2.305 19792 6480 1 13 . 1 1 63 63 ASP CA C 63 53.809 53.809 56.074 -2.264 19792 6481 1 13 . 1 1 63 63 ASP CB C 63 37.374 37.374 41.088 -3.714 19792 6482 1 13 . 1 1 63 63 ASP H H 63 6.960 6.960 7.684 -0.724 19792 6483 1 13 . 1 1 64 64 ALA N N 64 119.533 119.533 121.574 -2.041 19792 6484 1 13 . 1 1 64 64 ALA HA H 64 3.141 3.141 4.172 -1.031 19792 6485 1 13 . 1 1 64 64 ALA C C 64 176.037 176.037 177.344 -1.307 19792 6486 1 13 . 1 1 64 64 ALA CA C 64 51.399 51.399 53.649 -2.250 19792 6487 1 13 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.724 -3.159 19792 6488 1 13 . 1 1 64 64 ALA H H 64 6.771 6.771 7.365 -0.594 19792 6489 1 13 . 1 1 65 65 LYS N N 65 117.395 117.395 115.103 2.292 19792 6490 1 13 . 1 1 65 65 LYS HA H 65 3.727 3.727 4.256 -0.529 19792 6491 1 13 . 1 1 65 65 LYS C C 65 176.716 176.716 176.841 -0.125 19792 6492 1 13 . 1 1 65 65 LYS CA C 65 56.684 56.684 57.760 -1.076 19792 6493 1 13 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.501 -3.318 19792 6494 1 13 . 1 1 65 65 LYS H H 65 7.478 7.478 7.678 -0.200 19792 6495 1 13 . 1 1 66 66 ASP N N 66 120.839 120.839 119.974 0.865 19792 6496 1 13 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.708 -0.525 19792 6497 1 13 . 1 1 66 66 ASP C C 66 175.111 175.111 178.124 -3.013 19792 6498 1 13 . 1 1 66 66 ASP CA C 66 54.430 54.430 56.109 -1.679 19792 6499 1 13 . 1 1 66 66 ASP CB C 66 37.720 37.720 41.832 -4.112 19792 6500 1 13 . 1 1 66 66 ASP H H 66 7.403 7.403 7.788 -0.385 19792 6501 1 13 . 1 1 67 67 ALA N N 67 122.056 122.056 122.572 -0.516 19792 6502 1 13 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.675 -1.515 19792 6503 1 13 . 1 1 67 67 ALA C C 67 176.448 176.448 177.892 -1.444 19792 6504 1 13 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.543 -3.244 19792 6505 1 13 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.135 -0.882 19792 6506 1 13 . 1 1 67 67 ALA H H 67 7.737 7.737 8.031 -0.294 19792 6507 1 13 . 1 1 68 68 ALA N N 68 118.624 118.624 116.428 2.196 19792 6508 1 13 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.347 -0.648 19792 6509 1 13 . 1 1 68 68 ALA C C 68 176.619 176.619 178.062 -1.443 19792 6510 1 13 . 1 1 68 68 ALA CA C 68 52.280 52.280 52.907 -0.627 19792 6511 1 13 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.619 -3.770 19792 6512 1 13 . 1 1 68 68 ALA H H 68 8.108 8.108 8.202 -0.094 19792 6513 1 13 . 1 1 69 69 ARG N N 69 116.265 116.265 119.361 -3.096 19792 6514 1 13 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.158 -0.226 19792 6515 1 13 . 1 1 69 69 ARG C C 69 175.857 175.857 177.777 -1.920 19792 6516 1 13 . 1 1 69 69 ARG CA C 69 55.734 55.734 58.178 -2.445 19792 6517 1 13 . 1 1 69 69 ARG CB C 69 27.249 27.249 30.456 -3.207 19792 6518 1 13 . 1 1 69 69 ARG H H 69 7.599 7.599 7.640 -0.041 19792 6519 1 13 . 1 1 70 70 ASP N N 70 116.202 116.202 118.864 -2.662 19792 6520 1 13 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.558 -0.003 19792 6521 1 13 . 1 1 70 70 ASP C C 70 174.867 174.867 177.584 -2.717 19792 6522 1 13 . 1 1 70 70 ASP CA C 70 53.314 53.314 56.282 -2.968 19792 6523 1 13 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.341 -1.502 19792 6524 1 13 . 1 1 70 70 ASP H H 70 7.657 7.657 7.793 -0.136 19792 6525 1 13 . 1 1 71 71 MET N N 71 111.561 111.561 120.520 -8.959 19792 6526 1 13 . 1 1 71 71 MET HA H 71 4.742 4.742 4.400 0.342 19792 6527 1 13 . 1 1 71 71 MET C C 71 175.174 175.174 174.260 0.914 19792 6528 1 13 . 1 1 71 71 MET CA C 71 50.378 50.378 55.520 -5.142 19792 6529 1 13 . 1 1 71 71 MET CB C 71 29.047 29.047 31.728 -2.681 19792 6530 1 13 . 1 1 71 71 MET H H 71 8.069 8.069 8.250 -0.181 19792 6531 1 13 . 1 1 72 72 ASN N N 72 116.196 116.196 122.528 -6.332 19792 6532 1 13 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.870 -0.589 19792 6533 1 13 . 1 1 72 72 ASN C C 72 173.812 173.812 175.156 -1.344 19792 6534 1 13 . 1 1 72 72 ASN CA C 72 53.826 53.826 53.296 0.530 19792 6535 1 13 . 1 1 72 72 ASN CB C 72 35.885 35.885 41.464 -5.579 19792 6536 1 13 . 1 1 72 72 ASN H H 72 7.442 7.442 8.143 -0.701 19792 6537 1 13 . 1 1 73 73 GLY N N 73 116.956 116.956 107.560 9.396 19792 6538 1 13 . 1 1 73 73 GLY C C 73 171.629 171.629 173.607 -1.978 19792 6539 1 13 . 1 1 73 73 GLY CA C 73 43.091 43.091 46.191 -3.100 19792 6540 1 13 . 1 1 73 73 GLY H H 73 8.884 8.884 8.718 0.166 19792 6541 1 13 . 1 1 74 74 LYS N N 74 120.829 120.829 116.046 4.783 19792 6542 1 13 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.632 -0.392 19792 6543 1 13 . 1 1 74 74 LYS C C 74 172.132 172.132 175.269 -3.137 19792 6544 1 13 . 1 1 74 74 LYS CA C 74 52.333 52.333 54.168 -1.835 19792 6545 1 13 . 1 1 74 74 LYS CB C 74 30.131 30.131 35.189 -5.058 19792 6546 1 13 . 1 1 74 74 LYS H H 74 7.797 7.797 7.704 0.093 19792 6547 1 13 . 1 1 75 75 SER N N 75 112.883 112.883 115.632 -2.749 19792 6548 1 13 . 1 1 75 75 SER HA H 75 4.940 4.940 5.295 -0.355 19792 6549 1 13 . 1 1 75 75 SER C C 75 171.838 171.838 174.586 -2.748 19792 6550 1 13 . 1 1 75 75 SER CA C 75 54.722 54.722 58.027 -3.305 19792 6551 1 13 . 1 1 75 75 SER CB C 75 61.242 61.242 64.077 -2.835 19792 6552 1 13 . 1 1 75 75 SER H H 75 8.037 8.037 8.340 -0.303 19792 6553 1 13 . 1 1 76 76 LEU N N 76 127.669 127.669 126.381 1.288 19792 6554 1 13 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.615 -0.179 19792 6555 1 13 . 1 1 76 76 LEU C C 76 173.849 173.849 175.998 -2.149 19792 6556 1 13 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.078 -3.303 19792 6557 1 13 . 1 1 76 76 LEU CB C 76 41.886 41.886 43.873 -1.987 19792 6558 1 13 . 1 1 76 76 LEU H H 76 8.988 8.988 8.897 0.091 19792 6559 1 13 . 1 1 77 77 ASP N N 77 129.054 129.054 124.019 5.035 19792 6560 1 13 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.295 -0.121 19792 6561 1 13 . 1 1 77 77 ASP C C 77 173.415 173.415 176.465 -3.050 19792 6562 1 13 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.541 -2.665 19792 6563 1 13 . 1 1 77 77 ASP CB C 77 36.413 36.413 39.943 -3.530 19792 6564 1 13 . 1 1 77 77 ASP H H 77 9.523 9.523 9.097 0.426 19792 6565 1 13 . 1 1 78 78 GLY N N 78 101.915 101.915 102.462 -0.547 19792 6566 1 13 . 1 1 78 78 GLY C C 78 170.989 170.989 174.029 -3.040 19792 6567 1 13 . 1 1 78 78 GLY CA C 78 42.769 42.769 44.771 -2.002 19792 6568 1 13 . 1 1 78 78 GLY H H 78 8.396 8.396 8.237 0.159 19792 6569 1 13 . 1 1 79 79 LYS N N 79 119.791 119.791 120.600 -0.809 19792 6570 1 13 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.753 -0.207 19792 6571 1 13 . 1 1 79 79 LYS C C 79 171.513 171.513 174.880 -3.367 19792 6572 1 13 . 1 1 79 79 LYS CA C 79 50.277 50.277 54.073 -3.796 19792 6573 1 13 . 1 1 79 79 LYS CB C 79 31.955 31.955 34.459 -2.504 19792 6574 1 13 . 1 1 79 79 LYS H H 79 7.269 7.269 8.000 -0.731 19792 6575 1 13 . 1 1 80 80 ALA N N 80 125.002 125.002 124.897 0.105 19792 6576 1 13 . 1 1 80 80 ALA HA H 80 4.365 4.365 5.197 -0.832 19792 6577 1 13 . 1 1 80 80 ALA C C 80 175.007 175.007 177.587 -2.580 19792 6578 1 13 . 1 1 80 80 ALA CA C 80 48.381 48.381 50.492 -2.111 19792 6579 1 13 . 1 1 80 80 ALA CB C 80 15.215 15.215 19.011 -3.796 19792 6580 1 13 . 1 1 80 80 ALA H H 80 8.235 8.235 8.527 -0.292 19792 6581 1 13 . 1 1 81 81 ILE N N 81 119.947 119.947 120.189 -0.242 19792 6582 1 13 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.778 -0.164 19792 6583 1 13 . 1 1 81 81 ILE C C 81 172.389 172.389 175.066 -2.677 19792 6584 1 13 . 1 1 81 81 ILE CA C 81 57.921 57.921 61.253 -3.332 19792 6585 1 13 . 1 1 81 81 ILE CB C 81 37.547 37.547 39.452 -1.905 19792 6586 1 13 . 1 1 81 81 ILE H H 81 8.204 8.204 8.774 -0.570 19792 6587 1 13 . 1 1 82 82 LYS N N 82 123.700 123.700 120.423 3.277 19792 6588 1 13 . 1 1 82 82 LYS HA H 82 4.846 4.846 5.039 -0.193 19792 6589 1 13 . 1 1 82 82 LYS C C 82 172.571 172.571 175.399 -2.828 19792 6590 1 13 . 1 1 82 82 LYS CA C 82 51.341 51.341 54.191 -2.850 19792 6591 1 13 . 1 1 82 82 LYS CB C 82 31.948 31.948 36.470 -4.522 19792 6592 1 13 . 1 1 82 82 LYS H H 82 8.460 8.460 8.590 -0.130 19792 6593 1 13 . 1 1 83 83 VAL N N 83 123.707 123.707 124.357 -0.650 19792 6594 1 13 . 1 1 83 83 VAL HA H 83 5.068 5.068 5.113 -0.045 19792 6595 1 13 . 1 1 83 83 VAL C C 83 171.831 171.831 174.799 -2.968 19792 6596 1 13 . 1 1 83 83 VAL CA C 83 57.954 57.954 60.885 -2.931 19792 6597 1 13 . 1 1 83 83 VAL CB C 83 31.979 31.979 33.831 -1.852 19792 6598 1 13 . 1 1 83 83 VAL H H 83 8.653 8.653 9.472 -0.819 19792 6599 1 13 . 1 1 84 84 GLU N N 84 123.150 123.150 125.112 -1.962 19792 6600 1 13 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.785 -0.101 19792 6601 1 13 . 1 1 84 84 GLU C C 84 172.141 172.141 174.928 -2.787 19792 6602 1 13 . 1 1 84 84 GLU CA C 84 51.305 51.305 53.605 -2.300 19792 6603 1 13 . 1 1 84 84 GLU CB C 84 31.690 31.690 33.461 -1.771 19792 6604 1 13 . 1 1 84 84 GLU H H 84 8.977 8.977 9.154 -0.177 19792 6605 1 13 . 1 1 85 85 GLN N N 85 121.740 121.740 119.230 2.510 19792 6606 1 13 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.657 -0.408 19792 6607 1 13 . 1 1 85 85 GLN C C 85 173.263 173.263 176.415 -3.152 19792 6608 1 13 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.910 -0.653 19792 6609 1 13 . 1 1 85 85 GLN CB C 85 26.519 26.519 30.709 -4.190 19792 6610 1 13 . 1 1 85 85 GLN H H 85 8.835 8.835 8.629 0.206 19792 6611 1 13 . 1 1 86 86 ALA N N 86 127.885 127.885 130.270 -2.385 19792 6612 1 13 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.379 0.055 19792 6613 1 13 . 1 1 86 86 ALA C C 86 174.487 174.487 176.975 -2.488 19792 6614 1 13 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.905 -2.889 19792 6615 1 13 . 1 1 86 86 ALA CB C 86 16.340 16.340 17.856 -1.516 19792 6616 1 13 . 1 1 86 86 ALA H H 86 8.608 8.608 9.018 -0.410 19792 6617 1 13 . 1 1 87 87 THR N N 87 113.372 113.372 113.736 -0.364 19792 6618 1 13 . 1 1 87 87 THR HA H 87 4.339 4.339 4.650 -0.311 19792 6619 1 13 . 1 1 87 87 THR C C 87 171.331 171.331 172.567 -1.236 19792 6620 1 13 . 1 1 87 87 THR CA C 87 58.219 58.219 61.304 -3.085 19792 6621 1 13 . 1 1 87 87 THR CB C 87 67.397 67.397 70.696 -3.299 19792 6622 1 13 . 1 1 87 87 THR H H 87 8.271 8.271 7.773 0.498 19792 6623 1 13 . 1 1 88 88 LYS N N 88 123.502 123.502 121.285 2.217 19792 6624 1 13 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.837 -0.364 19792 6625 1 13 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.346 -1.735 19792 6626 1 13 . 1 1 88 88 LYS CB C 88 29.867 29.867 32.349 -2.482 19792 6627 1 13 . 1 1 88 88 LYS H H 88 8.203 8.203 8.435 -0.232 19792 6628 1 13 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.493 -0.299 19792 6629 1 13 . 1 1 89 89 PRO C C 89 173.726 173.726 175.988 -2.262 19792 6630 1 13 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.729 -3.659 19792 6631 1 13 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.108 -2.793 19792 6632 1 13 . 1 1 90 90 SER N N 90 115.260 115.260 113.628 1.632 19792 6633 1 13 . 1 1 90 90 SER HA H 90 4.229 4.229 4.675 -0.446 19792 6634 1 13 . 1 1 90 90 SER C C 90 171.123 171.123 172.114 -0.991 19792 6635 1 13 . 1 1 90 90 SER CA C 90 55.017 55.017 57.451 -2.434 19792 6636 1 13 . 1 1 90 90 SER CB C 90 60.977 60.977 64.922 -3.945 19792 6637 1 13 . 1 1 90 90 SER H H 90 7.991 7.991 7.639 0.352 19792 6638 1 13 . 1 1 91 91 PHE N N 91 121.128 121.128 119.659 1.469 19792 6639 1 13 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.598 -0.071 19792 6640 1 13 . 1 1 91 91 PHE C C 91 171.798 171.798 174.417 -2.619 19792 6641 1 13 . 1 1 91 91 PHE CA C 91 54.467 54.467 58.130 -3.663 19792 6642 1 13 . 1 1 91 91 PHE CB C 91 37.008 37.008 40.871 -3.863 19792 6643 1 13 . 1 1 91 91 PHE H H 91 8.004 8.004 8.428 -0.424 19792 6644 1 14 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.337 0.259 19792 6645 1 14 . 1 1 2 2 HIS C C 2 171.930 171.930 173.933 -2.003 19792 6646 1 14 . 1 1 2 2 HIS CA C 2 52.879 52.879 56.374 -3.495 19792 6647 1 14 . 1 1 2 2 HIS CB C 2 27.693 27.693 28.463 -0.770 19792 6648 1 14 . 1 1 3 3 MET N N 3 122.778 122.778 120.240 2.538 19792 6649 1 14 . 1 1 3 3 MET HA H 3 4.365 4.365 4.819 -0.454 19792 6650 1 14 . 1 1 3 3 MET C C 3 173.051 173.051 174.639 -1.588 19792 6651 1 14 . 1 1 3 3 MET CA C 3 52.457 52.457 54.511 -2.054 19792 6652 1 14 . 1 1 3 3 MET CB C 3 30.267 30.267 35.544 -5.277 19792 6653 1 14 . 1 1 3 3 MET H H 3 8.407 8.407 8.153 0.254 19792 6654 1 14 . 1 1 4 4 VAL N N 4 121.985 121.985 121.466 0.519 19792 6655 1 14 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.455 -0.463 19792 6656 1 14 . 1 1 4 4 VAL C C 4 173.161 173.161 174.949 -1.788 19792 6657 1 14 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.529 -3.340 19792 6658 1 14 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.284 -1.971 19792 6659 1 14 . 1 1 4 4 VAL H H 4 8.170 8.170 8.422 -0.252 19792 6660 1 14 . 1 1 5 5 GLU N N 5 124.990 124.990 120.352 4.638 19792 6661 1 14 . 1 1 5 5 GLU HA H 5 4.162 4.162 5.003 -0.841 19792 6662 1 14 . 1 1 5 5 GLU C C 5 173.208 173.208 175.312 -2.104 19792 6663 1 14 . 1 1 5 5 GLU CA C 5 53.271 53.271 55.757 -2.486 19792 6664 1 14 . 1 1 5 5 GLU CB C 5 27.861 27.861 31.120 -3.259 19792 6665 1 14 . 1 1 5 5 GLU H H 5 8.469 8.469 8.322 0.147 19792 6666 1 14 . 1 1 6 6 ALA N N 6 124.750 124.750 124.052 0.698 19792 6667 1 14 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.470 -0.335 19792 6668 1 14 . 1 1 6 6 ALA C C 6 174.516 174.516 175.822 -1.306 19792 6669 1 14 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.836 -2.265 19792 6670 1 14 . 1 1 6 6 ALA CB C 6 16.604 16.604 20.928 -4.324 19792 6671 1 14 . 1 1 6 6 ALA H H 6 8.229 8.229 7.624 0.605 19792 6672 1 14 . 1 1 7 7 ASP N N 7 119.477 119.477 122.746 -3.269 19792 6673 1 14 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.754 -0.324 19792 6674 1 14 . 1 1 7 7 ASP C C 7 173.005 173.005 175.043 -2.038 19792 6675 1 14 . 1 1 7 7 ASP CA C 7 51.032 51.032 53.962 -2.930 19792 6676 1 14 . 1 1 7 7 ASP CB C 7 38.658 38.658 41.427 -2.769 19792 6677 1 14 . 1 1 7 7 ASP H H 7 8.172 8.172 8.646 -0.474 19792 6678 1 14 . 1 1 8 8 ARG N N 8 121.454 121.454 121.416 0.038 19792 6679 1 14 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.397 -0.294 19792 6680 1 14 . 1 1 8 8 ARG CA C 8 54.708 54.708 56.474 -1.766 19792 6681 1 14 . 1 1 8 8 ARG CB C 8 27.813 27.813 28.426 -0.613 19792 6682 1 14 . 1 1 8 8 ARG H H 8 8.168 8.168 8.426 -0.258 19792 6683 1 14 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.534 -0.121 19792 6684 1 14 . 1 1 9 9 PRO C C 9 174.662 174.662 177.003 -2.341 19792 6685 1 14 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.851 -2.045 19792 6686 1 14 . 1 1 9 9 PRO CB C 9 29.471 29.471 31.770 -2.299 19792 6687 1 14 . 1 1 10 10 GLY N N 10 108.287 108.287 108.910 -0.623 19792 6688 1 14 . 1 1 10 10 GLY C C 10 169.715 169.715 174.376 -4.661 19792 6689 1 14 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.888 -3.359 19792 6690 1 14 . 1 1 10 10 GLY H H 10 8.769 8.769 8.289 0.480 19792 6691 1 14 . 1 1 11 11 LYS N N 11 122.177 122.177 119.985 2.192 19792 6692 1 14 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.705 0.159 19792 6693 1 14 . 1 1 11 11 LYS C C 11 172.419 172.419 176.208 -3.789 19792 6694 1 14 . 1 1 11 11 LYS CA C 11 53.417 53.417 56.501 -3.084 19792 6695 1 14 . 1 1 11 11 LYS CB C 11 32.058 32.058 33.074 -1.016 19792 6696 1 14 . 1 1 11 11 LYS H H 11 7.753 7.753 7.798 -0.045 19792 6697 1 14 . 1 1 12 12 LEU N N 12 127.116 127.116 124.678 2.438 19792 6698 1 14 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.701 0.238 19792 6699 1 14 . 1 1 12 12 LEU C C 12 173.185 173.185 177.002 -3.817 19792 6700 1 14 . 1 1 12 12 LEU CA C 12 50.301 50.301 54.397 -4.096 19792 6701 1 14 . 1 1 12 12 LEU CB C 12 42.075 42.075 43.339 -1.264 19792 6702 1 14 . 1 1 12 12 LEU H H 12 9.465 9.465 8.086 1.379 19792 6703 1 14 . 1 1 13 13 PHE N N 13 122.922 122.922 121.380 1.542 19792 6704 1 14 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.911 -0.199 19792 6705 1 14 . 1 1 13 13 PHE C C 13 170.330 170.330 173.324 -2.994 19792 6706 1 14 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.340 -3.299 19792 6707 1 14 . 1 1 13 13 PHE CB C 13 38.520 38.520 42.629 -4.109 19792 6708 1 14 . 1 1 13 13 PHE H H 13 9.213 9.213 8.959 0.254 19792 6709 1 14 . 1 1 14 14 ILE N N 14 128.128 128.128 127.376 0.752 19792 6710 1 14 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.211 -0.396 19792 6711 1 14 . 1 1 14 14 ILE C C 14 171.441 171.441 174.691 -3.250 19792 6712 1 14 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.173 -3.762 19792 6713 1 14 . 1 1 14 14 ILE CB C 14 36.448 36.448 40.861 -4.413 19792 6714 1 14 . 1 1 14 14 ILE H H 14 8.304 8.304 8.365 -0.061 19792 6715 1 14 . 1 1 15 15 GLY N N 15 110.945 110.945 112.247 -1.302 19792 6716 1 14 . 1 1 15 15 GLY C C 15 170.863 170.863 173.865 -3.002 19792 6717 1 14 . 1 1 15 15 GLY CA C 15 40.913 40.913 43.590 -2.677 19792 6718 1 14 . 1 1 15 15 GLY H H 15 8.965 8.965 8.636 0.329 19792 6719 1 14 . 1 1 16 16 GLY N N 16 107.025 107.025 107.722 -0.697 19792 6720 1 14 . 1 1 16 16 GLY C C 16 172.134 172.134 174.288 -2.154 19792 6721 1 14 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.066 -2.204 19792 6722 1 14 . 1 1 16 16 GLY H H 16 7.865 7.865 8.642 -0.777 19792 6723 1 14 . 1 1 17 17 LEU N N 17 115.104 115.104 119.799 -4.695 19792 6724 1 14 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.164 -0.252 19792 6725 1 14 . 1 1 17 17 LEU C C 17 176.024 176.024 176.732 -0.708 19792 6726 1 14 . 1 1 17 17 LEU CA C 17 51.583 51.583 55.134 -3.551 19792 6727 1 14 . 1 1 17 17 LEU CB C 17 40.169 40.169 41.666 -1.497 19792 6728 1 14 . 1 1 17 17 LEU H H 17 7.521 7.521 7.445 0.076 19792 6729 1 14 . 1 1 18 18 ASN N N 18 120.666 120.666 116.364 4.302 19792 6730 1 14 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.802 -0.416 19792 6731 1 14 . 1 1 18 18 ASN C C 18 176.199 176.199 175.987 0.212 19792 6732 1 14 . 1 1 18 18 ASN CA C 18 50.302 50.302 52.815 -2.513 19792 6733 1 14 . 1 1 18 18 ASN CB C 18 35.692 35.692 40.327 -4.635 19792 6734 1 14 . 1 1 18 18 ASN H H 18 9.528 9.528 8.369 1.159 19792 6735 1 14 . 1 1 19 19 THR N N 19 123.230 123.230 112.120 11.110 19792 6736 1 14 . 1 1 19 19 THR HA H 19 3.699 3.699 4.314 -0.615 19792 6737 1 14 . 1 1 19 19 THR C C 19 172.195 172.195 174.453 -2.258 19792 6738 1 14 . 1 1 19 19 THR CA C 19 62.512 62.512 63.451 -0.939 19792 6739 1 14 . 1 1 19 19 THR CB C 19 65.438 65.438 69.093 -3.655 19792 6740 1 14 . 1 1 19 19 THR H H 19 8.809 8.809 8.545 0.264 19792 6741 1 14 . 1 1 20 20 GLU N N 20 118.055 118.055 120.113 -2.058 19792 6742 1 14 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.558 -0.382 19792 6743 1 14 . 1 1 20 20 GLU C C 20 174.826 174.826 175.732 -0.906 19792 6744 1 14 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.529 -2.348 19792 6745 1 14 . 1 1 20 20 GLU CB C 20 27.076 27.076 30.353 -3.277 19792 6746 1 14 . 1 1 20 20 GLU H H 20 8.703 8.703 8.289 0.414 19792 6747 1 14 . 1 1 21 21 THR N N 21 119.209 119.209 116.001 3.208 19792 6748 1 14 . 1 1 21 21 THR HA H 21 3.930 3.930 4.460 -0.530 19792 6749 1 14 . 1 1 21 21 THR C C 21 171.688 171.688 172.728 -1.040 19792 6750 1 14 . 1 1 21 21 THR CA C 21 61.882 61.882 62.349 -0.467 19792 6751 1 14 . 1 1 21 21 THR CB C 21 65.397 65.397 70.008 -4.611 19792 6752 1 14 . 1 1 21 21 THR H H 21 7.514 7.514 7.764 -0.250 19792 6753 1 14 . 1 1 22 22 ASN N N 22 126.624 126.624 118.285 8.339 19792 6754 1 14 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.899 -0.130 19792 6755 1 14 . 1 1 22 22 ASN C C 22 172.032 172.032 175.633 -3.601 19792 6756 1 14 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.331 -4.625 19792 6757 1 14 . 1 1 22 22 ASN CB C 22 37.373 37.373 41.805 -4.432 19792 6758 1 14 . 1 1 22 22 ASN H H 22 8.031 8.031 8.289 -0.258 19792 6759 1 14 . 1 1 23 23 GLU N N 23 118.056 118.056 121.537 -3.481 19792 6760 1 14 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.869 -0.302 19792 6761 1 14 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.537 -1.753 19792 6762 1 14 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.623 -3.761 19792 6763 1 14 . 1 1 23 23 GLU H H 23 10.151 10.151 8.856 1.295 19792 6764 1 14 . 1 1 24 24 LYS N N 24 118.897 118.897 117.563 1.334 19792 6765 1 14 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.288 -0.283 19792 6766 1 14 . 1 1 24 24 LYS C C 24 176.843 176.843 177.876 -1.033 19792 6767 1 14 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.728 -2.997 19792 6768 1 14 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.693 -2.322 19792 6769 1 14 . 1 1 24 24 LYS H H 24 7.839 7.839 8.313 -0.474 19792 6770 1 14 . 1 1 25 25 ALA N N 25 123.210 123.210 121.212 1.998 19792 6771 1 14 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.237 -0.068 19792 6772 1 14 . 1 1 25 25 ALA C C 25 178.048 178.048 180.035 -1.987 19792 6773 1 14 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.149 -2.281 19792 6774 1 14 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.366 -2.227 19792 6775 1 14 . 1 1 25 25 ALA H H 25 7.827 7.827 7.183 0.644 19792 6776 1 14 . 1 1 26 26 LEU N N 26 116.466 116.466 119.930 -3.464 19792 6777 1 14 . 1 1 26 26 LEU HA H 26 4.024 4.024 3.928 0.096 19792 6778 1 14 . 1 1 26 26 LEU C C 26 176.375 176.375 178.708 -2.333 19792 6779 1 14 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.599 -2.641 19792 6780 1 14 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.706 -2.005 19792 6781 1 14 . 1 1 26 26 LEU H H 26 7.652 7.652 7.971 -0.319 19792 6782 1 14 . 1 1 27 27 GLU N N 27 119.789 119.789 119.036 0.753 19792 6783 1 14 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.901 -0.310 19792 6784 1 14 . 1 1 27 27 GLU C C 27 176.206 176.206 178.550 -2.344 19792 6785 1 14 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.703 -2.631 19792 6786 1 14 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.239 -2.172 19792 6787 1 14 . 1 1 27 27 GLU H H 27 8.480 8.480 7.959 0.521 19792 6788 1 14 . 1 1 28 28 ALA N N 28 120.599 120.599 119.442 1.157 19792 6789 1 14 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.266 -0.227 19792 6790 1 14 . 1 1 28 28 ALA C C 28 177.506 177.506 178.687 -1.181 19792 6791 1 14 . 1 1 28 28 ALA CA C 28 51.907 51.907 53.809 -1.902 19792 6792 1 14 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.398 -2.991 19792 6793 1 14 . 1 1 28 28 ALA H H 28 7.837 7.837 7.683 0.154 19792 6794 1 14 . 1 1 29 29 VAL N N 29 115.536 115.536 118.925 -3.389 19792 6795 1 14 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.675 0.151 19792 6796 1 14 . 1 1 29 29 VAL C C 29 174.998 174.998 177.226 -2.228 19792 6797 1 14 . 1 1 29 29 VAL CA C 29 61.999 61.999 65.715 -3.716 19792 6798 1 14 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.998 -2.120 19792 6799 1 14 . 1 1 29 29 VAL H H 29 7.626 7.626 7.418 0.208 19792 6800 1 14 . 1 1 30 30 PHE N N 30 115.465 115.465 116.135 -0.670 19792 6801 1 14 . 1 1 30 30 PHE HA H 30 4.482 4.482 4.395 0.087 19792 6802 1 14 . 1 1 30 30 PHE C C 30 174.725 174.725 177.895 -3.170 19792 6803 1 14 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.928 0.700 19792 6804 1 14 . 1 1 30 30 PHE CB C 30 35.394 35.394 39.687 -4.293 19792 6805 1 14 . 1 1 30 30 PHE H H 30 8.514 8.514 7.954 0.560 19792 6806 1 14 . 1 1 31 31 GLY N N 31 108.299 108.299 109.454 -1.155 19792 6807 1 14 . 1 1 31 31 GLY C C 31 172.455 172.455 175.114 -2.659 19792 6808 1 14 . 1 1 31 31 GLY CA C 31 43.505 43.505 47.743 -4.238 19792 6809 1 14 . 1 1 31 31 GLY H H 31 8.294 8.294 8.812 -0.518 19792 6810 1 14 . 1 1 32 32 LYS N N 32 117.309 117.309 120.464 -3.155 19792 6811 1 14 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.176 -0.250 19792 6812 1 14 . 1 1 32 32 LYS C C 32 174.779 174.779 177.756 -2.977 19792 6813 1 14 . 1 1 32 32 LYS CA C 32 54.700 54.700 58.389 -3.689 19792 6814 1 14 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.377 -2.442 19792 6815 1 14 . 1 1 32 32 LYS H H 32 6.846 6.846 8.614 -1.768 19792 6816 1 14 . 1 1 33 33 TYR N N 33 115.635 115.635 118.636 -3.001 19792 6817 1 14 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.573 -0.456 19792 6818 1 14 . 1 1 33 33 TYR C C 33 171.935 171.935 175.656 -3.721 19792 6819 1 14 . 1 1 33 33 TYR CA C 33 56.609 56.609 59.333 -2.724 19792 6820 1 14 . 1 1 33 33 TYR CB C 33 35.735 35.735 39.845 -4.110 19792 6821 1 14 . 1 1 33 33 TYR H H 33 7.593 7.593 8.085 -0.492 19792 6822 1 14 . 1 1 34 34 GLY N N 34 104.503 104.503 104.728 -0.225 19792 6823 1 14 . 1 1 34 34 GLY C C 34 168.962 168.962 173.605 -4.643 19792 6824 1 14 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.215 -3.652 19792 6825 1 14 . 1 1 34 34 GLY H H 34 7.253 7.253 7.894 -0.641 19792 6826 1 14 . 1 1 35 35 ARG N N 35 116.679 116.679 118.053 -1.374 19792 6827 1 14 . 1 1 35 35 ARG HA H 35 4.115 4.115 3.960 0.155 19792 6828 1 14 . 1 1 35 35 ARG C C 35 174.272 174.272 174.078 0.194 19792 6829 1 14 . 1 1 35 35 ARG CA C 35 54.785 54.785 57.406 -2.621 19792 6830 1 14 . 1 1 35 35 ARG CB C 35 27.958 27.958 30.430 -2.472 19792 6831 1 14 . 1 1 35 35 ARG H H 35 8.196 8.196 8.157 0.039 19792 6832 1 14 . 1 1 36 36 ILE N N 36 128.885 128.885 119.550 9.335 19792 6833 1 14 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.419 -0.592 19792 6834 1 14 . 1 1 36 36 ILE C C 36 173.725 173.725 175.549 -1.824 19792 6835 1 14 . 1 1 36 36 ILE CA C 36 57.740 57.740 60.110 -2.370 19792 6836 1 14 . 1 1 36 36 ILE CB C 36 37.006 37.006 40.380 -3.374 19792 6837 1 14 . 1 1 36 36 ILE H H 36 8.760 8.760 8.191 0.569 19792 6838 1 14 . 1 1 37 37 VAL N N 37 122.612 122.612 120.796 1.816 19792 6839 1 14 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.384 -0.301 19792 6840 1 14 . 1 1 37 37 VAL C C 37 172.917 172.917 175.670 -2.753 19792 6841 1 14 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.580 -2.234 19792 6842 1 14 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.341 -2.966 19792 6843 1 14 . 1 1 37 37 VAL H H 37 8.751 8.751 8.372 0.379 19792 6844 1 14 . 1 1 38 38 GLU N N 38 118.683 118.683 120.069 -1.386 19792 6845 1 14 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.486 -0.118 19792 6846 1 14 . 1 1 38 38 GLU C C 38 170.647 170.647 173.961 -3.314 19792 6847 1 14 . 1 1 38 38 GLU CA C 38 53.636 53.636 56.585 -2.949 19792 6848 1 14 . 1 1 38 38 GLU CB C 38 31.112 31.112 34.060 -2.948 19792 6849 1 14 . 1 1 38 38 GLU H H 38 7.075 7.075 7.630 -0.555 19792 6850 1 14 . 1 1 39 39 VAL N N 39 125.880 125.880 122.444 3.436 19792 6851 1 14 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.134 0.185 19792 6852 1 14 . 1 1 39 39 VAL C C 39 170.693 170.693 174.464 -3.771 19792 6853 1 14 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.059 -2.003 19792 6854 1 14 . 1 1 39 39 VAL CB C 39 31.077 31.077 33.700 -2.623 19792 6855 1 14 . 1 1 39 39 VAL H H 39 8.509 8.509 8.370 0.139 19792 6856 1 14 . 1 1 40 40 LEU N N 40 129.331 129.331 129.171 0.160 19792 6857 1 14 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.650 0.025 19792 6858 1 14 . 1 1 40 40 LEU C C 40 171.627 171.627 174.525 -2.898 19792 6859 1 14 . 1 1 40 40 LEU CA C 40 50.744 50.744 53.991 -3.247 19792 6860 1 14 . 1 1 40 40 LEU CB C 40 42.066 42.066 44.336 -2.270 19792 6861 1 14 . 1 1 40 40 LEU H H 40 8.928 8.928 8.429 0.499 19792 6862 1 14 . 1 1 41 41 LEU N N 41 128.574 128.574 126.503 2.071 19792 6863 1 14 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.435 -0.095 19792 6864 1 14 . 1 1 41 41 LEU C C 41 172.935 172.935 175.827 -2.892 19792 6865 1 14 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.752 -3.877 19792 6866 1 14 . 1 1 41 41 LEU CB C 41 41.547 41.547 44.197 -2.650 19792 6867 1 14 . 1 1 41 41 LEU H H 41 9.023 9.023 8.086 0.937 19792 6868 1 14 . 1 1 42 42 MET N N 42 125.617 125.617 121.286 4.331 19792 6869 1 14 . 1 1 42 42 MET HA H 42 4.357 4.357 4.590 -0.233 19792 6870 1 14 . 1 1 42 42 MET C C 42 172.606 172.606 174.692 -2.086 19792 6871 1 14 . 1 1 42 42 MET CA C 42 51.857 51.857 53.474 -1.617 19792 6872 1 14 . 1 1 42 42 MET CB C 42 27.700 27.700 33.290 -5.590 19792 6873 1 14 . 1 1 42 42 MET H H 42 7.988 7.988 8.448 -0.460 19792 6874 1 14 . 1 1 43 43 LYS N N 43 121.956 121.956 122.040 -0.084 19792 6875 1 14 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.812 -0.053 19792 6876 1 14 . 1 1 43 43 LYS C C 43 173.591 173.591 175.731 -2.140 19792 6877 1 14 . 1 1 43 43 LYS CA C 43 51.608 51.608 54.838 -3.230 19792 6878 1 14 . 1 1 43 43 LYS CB C 43 33.447 33.447 35.751 -2.304 19792 6879 1 14 . 1 1 43 43 LYS H H 43 8.289 8.289 8.284 0.005 19792 6880 1 14 . 1 1 44 44 ASP N N 44 123.608 123.608 122.659 0.949 19792 6881 1 14 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.581 -0.110 19792 6882 1 14 . 1 1 44 44 ASP C C 44 174.790 174.790 177.345 -2.555 19792 6883 1 14 . 1 1 44 44 ASP CA C 44 51.279 51.279 55.031 -3.752 19792 6884 1 14 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.541 -2.364 19792 6885 1 14 . 1 1 44 44 ASP H H 44 8.693 8.693 8.905 -0.212 19792 6886 1 14 . 1 1 45 45 ARG N N 45 126.884 126.884 122.261 4.623 19792 6887 1 14 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.178 -0.202 19792 6888 1 14 . 1 1 45 45 ARG C C 45 174.578 174.578 177.471 -2.893 19792 6889 1 14 . 1 1 45 45 ARG CA C 45 55.637 55.637 57.410 -1.773 19792 6890 1 14 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.363 -2.819 19792 6891 1 14 . 1 1 45 45 ARG H H 45 8.875 8.875 8.631 0.244 19792 6892 1 14 . 1 1 46 46 GLU N N 46 117.313 117.313 120.494 -3.181 19792 6893 1 14 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.207 -0.025 19792 6894 1 14 . 1 1 46 46 GLU C C 46 175.625 175.625 177.258 -1.633 19792 6895 1 14 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.587 -2.959 19792 6896 1 14 . 1 1 46 46 GLU CB C 46 27.597 27.597 30.176 -2.579 19792 6897 1 14 . 1 1 46 46 GLU H H 46 8.561 8.561 8.438 0.123 19792 6898 1 14 . 1 1 47 47 THR N N 47 107.019 107.019 110.920 -3.901 19792 6899 1 14 . 1 1 47 47 THR HA H 47 4.277 4.277 4.381 -0.104 19792 6900 1 14 . 1 1 47 47 THR C C 47 173.242 173.242 173.502 -0.260 19792 6901 1 14 . 1 1 47 47 THR CA C 47 58.709 58.709 62.060 -3.352 19792 6902 1 14 . 1 1 47 47 THR CB C 47 67.971 67.971 68.642 -0.671 19792 6903 1 14 . 1 1 47 47 THR H H 47 8.053 8.053 7.736 0.317 19792 6904 1 14 . 1 1 48 48 ASN N N 48 117.468 117.468 117.797 -0.329 19792 6905 1 14 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.229 0.106 19792 6906 1 14 . 1 1 48 48 ASN C C 48 171.106 171.106 174.217 -3.111 19792 6907 1 14 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.640 -2.510 19792 6908 1 14 . 1 1 48 48 ASN CB C 48 35.645 35.645 38.295 -2.650 19792 6909 1 14 . 1 1 48 48 ASN H H 48 8.230 8.230 8.599 -0.369 19792 6910 1 14 . 1 1 49 49 LYS N N 49 117.523 117.523 119.183 -1.660 19792 6911 1 14 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.046 0.250 19792 6912 1 14 . 1 1 49 49 LYS C C 49 173.910 173.910 176.919 -3.009 19792 6913 1 14 . 1 1 49 49 LYS CA C 49 52.763 52.763 57.130 -4.367 19792 6914 1 14 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.263 -2.224 19792 6915 1 14 . 1 1 49 49 LYS H H 49 7.517 7.517 7.876 -0.359 19792 6916 1 14 . 1 1 50 50 SER N N 50 115.960 115.960 116.922 -0.962 19792 6917 1 14 . 1 1 50 50 SER HA H 50 4.197 4.197 4.799 -0.602 19792 6918 1 14 . 1 1 50 50 SER C C 50 173.417 173.417 174.725 -1.308 19792 6919 1 14 . 1 1 50 50 SER CA C 50 55.614 55.614 58.243 -2.629 19792 6920 1 14 . 1 1 50 50 SER CB C 50 61.524 61.524 63.960 -2.436 19792 6921 1 14 . 1 1 50 50 SER H H 50 8.705 8.705 8.144 0.561 19792 6922 1 14 . 1 1 51 51 ARG N N 51 124.058 124.058 120.741 3.317 19792 6923 1 14 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.739 -0.431 19792 6924 1 14 . 1 1 51 51 ARG C C 51 174.657 174.657 176.852 -2.195 19792 6925 1 14 . 1 1 51 51 ARG CA C 51 53.393 53.393 54.191 -0.798 19792 6926 1 14 . 1 1 51 51 ARG CB C 51 28.779 28.779 32.002 -3.223 19792 6927 1 14 . 1 1 51 51 ARG H H 51 9.023 9.023 8.502 0.521 19792 6928 1 14 . 1 1 52 52 GLY N N 52 106.703 106.703 110.054 -3.351 19792 6929 1 14 . 1 1 52 52 GLY C C 52 168.863 168.863 173.293 -4.430 19792 6930 1 14 . 1 1 52 52 GLY CA C 52 42.919 42.919 44.915 -1.996 19792 6931 1 14 . 1 1 52 52 GLY H H 52 9.129 9.129 9.018 0.111 19792 6932 1 14 . 1 1 53 53 PHE N N 53 112.307 112.307 116.312 -4.005 19792 6933 1 14 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.436 -0.193 19792 6934 1 14 . 1 1 53 53 PHE C C 53 169.552 169.552 172.460 -2.908 19792 6935 1 14 . 1 1 53 53 PHE CA C 53 52.095 52.095 55.021 -2.926 19792 6936 1 14 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.060 -2.146 19792 6937 1 14 . 1 1 53 53 PHE H H 53 6.845 6.845 7.723 -0.878 19792 6938 1 14 . 1 1 54 54 ALA N N 54 120.987 120.987 121.784 -0.797 19792 6939 1 14 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.511 0.383 19792 6940 1 14 . 1 1 54 54 ALA C C 54 171.062 171.062 174.125 -3.063 19792 6941 1 14 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.205 -4.156 19792 6942 1 14 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.539 0.287 19792 6943 1 14 . 1 1 54 54 ALA H H 54 8.970 8.970 8.597 0.373 19792 6944 1 14 . 1 1 55 55 PHE N N 55 114.157 114.157 119.019 -4.862 19792 6945 1 14 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.894 0.874 19792 6946 1 14 . 1 1 55 55 PHE C C 55 173.605 173.605 172.938 0.667 19792 6947 1 14 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.277 -3.197 19792 6948 1 14 . 1 1 55 55 PHE CB C 55 40.029 40.029 43.432 -3.403 19792 6949 1 14 . 1 1 55 55 PHE H H 55 8.837 8.837 8.778 0.059 19792 6950 1 14 . 1 1 56 56 VAL N N 56 123.812 123.812 123.954 -0.142 19792 6951 1 14 . 1 1 56 56 VAL HA H 56 4.474 4.474 3.777 0.697 19792 6952 1 14 . 1 1 56 56 VAL C C 56 171.401 171.401 173.738 -2.337 19792 6953 1 14 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.788 -2.940 19792 6954 1 14 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.745 -3.218 19792 6955 1 14 . 1 1 56 56 VAL H H 56 8.558 8.558 8.135 0.423 19792 6956 1 14 . 1 1 57 57 THR N N 57 123.000 123.000 120.729 2.271 19792 6957 1 14 . 1 1 57 57 THR HA H 57 4.974 4.974 4.528 0.446 19792 6958 1 14 . 1 1 57 57 THR C C 57 171.340 171.340 173.422 -2.082 19792 6959 1 14 . 1 1 57 57 THR CA C 57 58.659 58.659 60.768 -2.109 19792 6960 1 14 . 1 1 57 57 THR CB C 57 66.662 66.662 70.345 -3.683 19792 6961 1 14 . 1 1 57 57 THR H H 57 8.808 8.808 7.666 1.142 19792 6962 1 14 . 1 1 58 58 PHE N N 58 128.385 128.385 125.404 2.981 19792 6963 1 14 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.685 -0.002 19792 6964 1 14 . 1 1 58 58 PHE C C 58 172.367 172.367 176.504 -4.137 19792 6965 1 14 . 1 1 58 58 PHE CA C 58 55.449 55.449 57.762 -2.313 19792 6966 1 14 . 1 1 58 58 PHE CB C 58 37.909 37.909 39.708 -1.799 19792 6967 1 14 . 1 1 58 58 PHE H H 58 8.835 8.835 8.583 0.252 19792 6968 1 14 . 1 1 59 59 GLU N N 59 121.627 121.627 121.500 0.127 19792 6969 1 14 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.113 -0.347 19792 6970 1 14 . 1 1 59 59 GLU C C 59 173.666 173.666 176.532 -2.866 19792 6971 1 14 . 1 1 59 59 GLU CA C 59 56.293 56.293 58.059 -1.766 19792 6972 1 14 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.320 -2.533 19792 6973 1 14 . 1 1 59 59 GLU H H 59 8.067 8.067 9.042 -0.975 19792 6974 1 14 . 1 1 60 60 SER N N 60 112.302 112.302 112.824 -0.522 19792 6975 1 14 . 1 1 60 60 SER HA H 60 5.163 5.163 4.949 0.214 19792 6976 1 14 . 1 1 60 60 SER CA C 60 50.137 50.137 55.673 -5.536 19792 6977 1 14 . 1 1 60 60 SER CB C 60 61.350 61.350 64.601 -3.251 19792 6978 1 14 . 1 1 60 60 SER H H 60 9.333 9.333 8.067 1.266 19792 6979 1 14 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.522 -0.524 19792 6980 1 14 . 1 1 61 61 PRO CA C 61 61.850 61.850 64.980 -3.130 19792 6981 1 14 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.173 -2.782 19792 6982 1 14 . 1 1 62 62 ALA N N 62 121.088 121.088 118.740 2.348 19792 6983 1 14 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.170 -0.238 19792 6984 1 14 . 1 1 62 62 ALA C C 62 176.826 176.826 179.097 -2.271 19792 6985 1 14 . 1 1 62 62 ALA CA C 62 52.266 52.266 54.087 -1.821 19792 6986 1 14 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.372 -2.754 19792 6987 1 14 . 1 1 62 62 ALA H H 62 7.821 7.821 8.379 -0.558 19792 6988 1 14 . 1 1 63 63 ASP N N 63 120.099 120.099 119.539 0.560 19792 6989 1 14 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.387 -0.295 19792 6990 1 14 . 1 1 63 63 ASP C C 63 174.505 174.505 177.356 -2.851 19792 6991 1 14 . 1 1 63 63 ASP CA C 63 53.809 53.809 57.258 -3.449 19792 6992 1 14 . 1 1 63 63 ASP CB C 63 37.374 37.374 41.045 -3.671 19792 6993 1 14 . 1 1 63 63 ASP H H 63 6.960 6.960 7.685 -0.725 19792 6994 1 14 . 1 1 64 64 ALA N N 64 119.533 119.533 122.247 -2.714 19792 6995 1 14 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.228 -0.087 19792 6996 1 14 . 1 1 64 64 ALA C C 64 176.037 176.037 178.982 -2.945 19792 6997 1 14 . 1 1 64 64 ALA CA C 64 51.399 51.399 54.648 -3.249 19792 6998 1 14 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.645 -3.080 19792 6999 1 14 . 1 1 64 64 ALA H H 64 6.771 6.771 7.443 -0.672 19792 7000 1 14 . 1 1 65 65 LYS N N 65 117.395 117.395 117.120 0.275 19792 7001 1 14 . 1 1 65 65 LYS HA H 65 3.727 3.727 4.156 -0.429 19792 7002 1 14 . 1 1 65 65 LYS C C 65 176.716 176.716 178.000 -1.284 19792 7003 1 14 . 1 1 65 65 LYS CA C 65 56.684 56.684 58.782 -2.098 19792 7004 1 14 . 1 1 65 65 LYS CB C 65 29.183 29.183 31.881 -2.698 19792 7005 1 14 . 1 1 65 65 LYS H H 65 7.478 7.478 7.591 -0.113 19792 7006 1 14 . 1 1 66 66 ASP N N 66 120.839 120.839 119.463 1.376 19792 7007 1 14 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.479 -0.296 19792 7008 1 14 . 1 1 66 66 ASP C C 66 175.111 175.111 177.771 -2.660 19792 7009 1 14 . 1 1 66 66 ASP CA C 66 54.430 54.430 57.237 -2.807 19792 7010 1 14 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.693 -2.973 19792 7011 1 14 . 1 1 66 66 ASP H H 66 7.403 7.403 7.510 -0.107 19792 7012 1 14 . 1 1 67 67 ALA N N 67 122.056 122.056 121.557 0.499 19792 7013 1 14 . 1 1 67 67 ALA HA H 67 2.160 2.160 4.434 -2.274 19792 7014 1 14 . 1 1 67 67 ALA C C 67 176.448 176.448 179.580 -3.132 19792 7015 1 14 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.966 -3.667 19792 7016 1 14 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.048 -0.795 19792 7017 1 14 . 1 1 67 67 ALA H H 67 7.737 7.737 7.330 0.407 19792 7018 1 14 . 1 1 68 68 ALA N N 68 118.624 118.624 117.699 0.925 19792 7019 1 14 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.290 -0.591 19792 7020 1 14 . 1 1 68 68 ALA C C 68 176.619 176.619 178.340 -1.721 19792 7021 1 14 . 1 1 68 68 ALA CA C 68 52.280 52.280 53.732 -1.452 19792 7022 1 14 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.708 -3.859 19792 7023 1 14 . 1 1 68 68 ALA H H 68 8.108 8.108 7.583 0.525 19792 7024 1 14 . 1 1 69 69 ARG N N 69 116.265 116.265 117.754 -1.489 19792 7025 1 14 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.368 -0.436 19792 7026 1 14 . 1 1 69 69 ARG C C 69 175.857 175.857 177.695 -1.838 19792 7027 1 14 . 1 1 69 69 ARG CA C 69 55.734 55.734 57.158 -1.424 19792 7028 1 14 . 1 1 69 69 ARG CB C 69 27.249 27.249 30.786 -3.537 19792 7029 1 14 . 1 1 69 69 ARG H H 69 7.599 7.599 7.633 -0.034 19792 7030 1 14 . 1 1 70 70 ASP N N 70 116.202 116.202 118.750 -2.548 19792 7031 1 14 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.486 0.069 19792 7032 1 14 . 1 1 70 70 ASP C C 70 174.867 174.867 176.539 -1.672 19792 7033 1 14 . 1 1 70 70 ASP CA C 70 53.314 53.314 56.362 -3.048 19792 7034 1 14 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.531 -1.692 19792 7035 1 14 . 1 1 70 70 ASP H H 70 7.657 7.657 7.964 -0.307 19792 7036 1 14 . 1 1 71 71 MET N N 71 111.561 111.561 117.871 -6.310 19792 7037 1 14 . 1 1 71 71 MET HA H 71 4.742 4.742 4.559 0.183 19792 7038 1 14 . 1 1 71 71 MET C C 71 175.174 175.174 174.534 0.640 19792 7039 1 14 . 1 1 71 71 MET CA C 71 50.378 50.378 55.016 -4.638 19792 7040 1 14 . 1 1 71 71 MET CB C 71 29.047 29.047 34.678 -5.630 19792 7041 1 14 . 1 1 71 71 MET H H 71 8.069 8.069 7.623 0.446 19792 7042 1 14 . 1 1 72 72 ASN N N 72 116.196 116.196 117.863 -1.667 19792 7043 1 14 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.553 -0.272 19792 7044 1 14 . 1 1 72 72 ASN C C 72 173.812 173.812 174.993 -1.181 19792 7045 1 14 . 1 1 72 72 ASN CA C 72 53.826 53.826 54.109 -0.283 19792 7046 1 14 . 1 1 72 72 ASN CB C 72 35.885 35.885 37.692 -1.807 19792 7047 1 14 . 1 1 72 72 ASN H H 72 7.442 7.442 8.800 -1.358 19792 7048 1 14 . 1 1 73 73 GLY N N 73 116.956 116.956 108.315 8.641 19792 7049 1 14 . 1 1 73 73 GLY C C 73 171.629 171.629 173.957 -2.328 19792 7050 1 14 . 1 1 73 73 GLY CA C 73 43.091 43.091 44.794 -1.703 19792 7051 1 14 . 1 1 73 73 GLY H H 73 8.884 8.884 8.628 0.256 19792 7052 1 14 . 1 1 74 74 LYS N N 74 120.829 120.829 119.844 0.985 19792 7053 1 14 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.706 -0.466 19792 7054 1 14 . 1 1 74 74 LYS C C 74 172.132 172.132 175.758 -3.626 19792 7055 1 14 . 1 1 74 74 LYS CA C 74 52.333 52.333 54.910 -2.577 19792 7056 1 14 . 1 1 74 74 LYS CB C 74 30.131 30.131 34.299 -4.168 19792 7057 1 14 . 1 1 74 74 LYS H H 74 7.797 7.797 7.945 -0.148 19792 7058 1 14 . 1 1 75 75 SER N N 75 112.883 112.883 114.003 -1.120 19792 7059 1 14 . 1 1 75 75 SER HA H 75 4.940 4.940 5.232 -0.292 19792 7060 1 14 . 1 1 75 75 SER C C 75 171.838 171.838 173.554 -1.716 19792 7061 1 14 . 1 1 75 75 SER CA C 75 54.722 54.722 57.312 -2.590 19792 7062 1 14 . 1 1 75 75 SER CB C 75 61.242 61.242 64.261 -3.019 19792 7063 1 14 . 1 1 75 75 SER H H 75 8.037 8.037 8.249 -0.212 19792 7064 1 14 . 1 1 76 76 LEU N N 76 127.669 127.669 122.339 5.330 19792 7065 1 14 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.592 -0.156 19792 7066 1 14 . 1 1 76 76 LEU C C 76 173.849 173.849 177.752 -3.903 19792 7067 1 14 . 1 1 76 76 LEU CA C 76 51.775 51.775 53.368 -1.593 19792 7068 1 14 . 1 1 76 76 LEU CB C 76 41.886 41.886 43.159 -1.273 19792 7069 1 14 . 1 1 76 76 LEU H H 76 8.988 8.988 8.611 0.377 19792 7070 1 14 . 1 1 77 77 ASP N N 77 129.054 129.054 120.759 8.295 19792 7071 1 14 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.368 -0.194 19792 7072 1 14 . 1 1 77 77 ASP C C 77 173.415 173.415 176.870 -3.455 19792 7073 1 14 . 1 1 77 77 ASP CA C 77 52.876 52.876 56.826 -3.950 19792 7074 1 14 . 1 1 77 77 ASP CB C 77 36.413 36.413 41.042 -4.629 19792 7075 1 14 . 1 1 77 77 ASP H H 77 9.523 9.523 8.655 0.868 19792 7076 1 14 . 1 1 78 78 GLY N N 78 101.915 101.915 102.816 -0.901 19792 7077 1 14 . 1 1 78 78 GLY C C 78 170.989 170.989 173.188 -2.199 19792 7078 1 14 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.070 -2.301 19792 7079 1 14 . 1 1 78 78 GLY H H 78 8.396 8.396 8.023 0.373 19792 7080 1 14 . 1 1 79 79 LYS N N 79 119.791 119.791 120.653 -0.862 19792 7081 1 14 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.725 -0.179 19792 7082 1 14 . 1 1 79 79 LYS C C 79 171.513 171.513 174.377 -2.864 19792 7083 1 14 . 1 1 79 79 LYS CA C 79 50.277 50.277 53.704 -3.427 19792 7084 1 14 . 1 1 79 79 LYS CB C 79 31.955 31.955 36.033 -4.078 19792 7085 1 14 . 1 1 79 79 LYS H H 79 7.269 7.269 7.470 -0.201 19792 7086 1 14 . 1 1 80 80 ALA N N 80 125.002 125.002 124.421 0.581 19792 7087 1 14 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.720 -0.355 19792 7088 1 14 . 1 1 80 80 ALA C C 80 175.007 175.007 176.367 -1.360 19792 7089 1 14 . 1 1 80 80 ALA CA C 80 48.381 48.381 50.923 -2.542 19792 7090 1 14 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.759 -3.544 19792 7091 1 14 . 1 1 80 80 ALA H H 80 8.235 8.235 8.649 -0.414 19792 7092 1 14 . 1 1 81 81 ILE N N 81 119.947 119.947 120.001 -0.054 19792 7093 1 14 . 1 1 81 81 ILE HA H 81 4.614 4.614 5.112 -0.498 19792 7094 1 14 . 1 1 81 81 ILE C C 81 172.389 172.389 175.484 -3.095 19792 7095 1 14 . 1 1 81 81 ILE CA C 81 57.921 57.921 60.065 -2.144 19792 7096 1 14 . 1 1 81 81 ILE CB C 81 37.547 37.547 39.740 -2.193 19792 7097 1 14 . 1 1 81 81 ILE H H 81 8.204 8.204 7.644 0.560 19792 7098 1 14 . 1 1 82 82 LYS N N 82 123.700 123.700 120.735 2.965 19792 7099 1 14 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.782 0.064 19792 7100 1 14 . 1 1 82 82 LYS C C 82 172.571 172.571 174.617 -2.046 19792 7101 1 14 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.330 -3.989 19792 7102 1 14 . 1 1 82 82 LYS CB C 82 31.948 31.948 37.028 -5.080 19792 7103 1 14 . 1 1 82 82 LYS H H 82 8.460 8.460 8.831 -0.371 19792 7104 1 14 . 1 1 83 83 VAL N N 83 123.707 123.707 123.720 -0.013 19792 7105 1 14 . 1 1 83 83 VAL HA H 83 5.068 5.068 4.875 0.193 19792 7106 1 14 . 1 1 83 83 VAL C C 83 171.831 171.831 175.179 -3.348 19792 7107 1 14 . 1 1 83 83 VAL CA C 83 57.954 57.954 61.318 -3.364 19792 7108 1 14 . 1 1 83 83 VAL CB C 83 31.979 31.979 33.133 -1.154 19792 7109 1 14 . 1 1 83 83 VAL H H 83 8.653 8.653 8.655 -0.002 19792 7110 1 14 . 1 1 84 84 GLU N N 84 123.150 123.150 125.280 -2.130 19792 7111 1 14 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.829 -0.145 19792 7112 1 14 . 1 1 84 84 GLU C C 84 172.141 172.141 175.093 -2.952 19792 7113 1 14 . 1 1 84 84 GLU CA C 84 51.305 51.305 53.882 -2.577 19792 7114 1 14 . 1 1 84 84 GLU CB C 84 31.690 31.690 32.658 -0.968 19792 7115 1 14 . 1 1 84 84 GLU H H 84 8.977 8.977 9.224 -0.247 19792 7116 1 14 . 1 1 85 85 GLN N N 85 121.740 121.740 118.362 3.378 19792 7117 1 14 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.839 -0.590 19792 7118 1 14 . 1 1 85 85 GLN C C 85 173.263 173.263 175.229 -1.966 19792 7119 1 14 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.550 -0.293 19792 7120 1 14 . 1 1 85 85 GLN CB C 85 26.519 26.519 30.567 -4.048 19792 7121 1 14 . 1 1 85 85 GLN H H 85 8.835 8.835 8.617 0.218 19792 7122 1 14 . 1 1 86 86 ALA N N 86 127.885 127.885 130.709 -2.824 19792 7123 1 14 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.131 0.303 19792 7124 1 14 . 1 1 86 86 ALA C C 86 174.487 174.487 176.580 -2.093 19792 7125 1 14 . 1 1 86 86 ALA CA C 86 50.016 50.016 53.190 -3.174 19792 7126 1 14 . 1 1 86 86 ALA CB C 86 16.340 16.340 18.433 -2.093 19792 7127 1 14 . 1 1 86 86 ALA H H 86 8.608 8.608 8.460 0.148 19792 7128 1 14 . 1 1 87 87 THR N N 87 113.372 113.372 117.101 -3.729 19792 7129 1 14 . 1 1 87 87 THR HA H 87 4.339 4.339 4.605 -0.266 19792 7130 1 14 . 1 1 87 87 THR C C 87 171.331 171.331 173.548 -2.217 19792 7131 1 14 . 1 1 87 87 THR CA C 87 58.219 58.219 60.659 -2.440 19792 7132 1 14 . 1 1 87 87 THR CB C 87 67.397 67.397 70.065 -2.668 19792 7133 1 14 . 1 1 87 87 THR H H 87 8.271 8.271 7.940 0.331 19792 7134 1 14 . 1 1 88 88 LYS N N 88 123.502 123.502 120.384 3.118 19792 7135 1 14 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.701 -0.228 19792 7136 1 14 . 1 1 88 88 LYS CA C 88 51.611 51.611 54.622 -3.011 19792 7137 1 14 . 1 1 88 88 LYS CB C 88 29.867 29.867 33.429 -3.562 19792 7138 1 14 . 1 1 88 88 LYS H H 88 8.203 8.203 8.467 -0.264 19792 7139 1 14 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.466 -0.272 19792 7140 1 14 . 1 1 89 89 PRO C C 89 173.726 173.726 176.862 -3.136 19792 7141 1 14 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.985 -3.915 19792 7142 1 14 . 1 1 89 89 PRO CB C 89 29.315 29.315 31.984 -2.669 19792 7143 1 14 . 1 1 90 90 SER N N 90 115.260 115.260 116.415 -1.155 19792 7144 1 14 . 1 1 90 90 SER HA H 90 4.229 4.229 4.425 -0.196 19792 7145 1 14 . 1 1 90 90 SER C C 90 171.123 171.123 173.133 -2.010 19792 7146 1 14 . 1 1 90 90 SER CA C 90 55.017 55.017 58.786 -3.769 19792 7147 1 14 . 1 1 90 90 SER CB C 90 60.977 60.977 62.072 -1.095 19792 7148 1 14 . 1 1 90 90 SER H H 90 7.991 7.991 8.136 -0.145 19792 7149 1 14 . 1 1 91 91 PHE N N 91 121.128 121.128 124.606 -3.478 19792 7150 1 14 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.620 -0.093 19792 7151 1 14 . 1 1 91 91 PHE C C 91 171.798 171.798 174.719 -2.921 19792 7152 1 14 . 1 1 91 91 PHE CA C 91 54.467 54.467 57.485 -3.018 19792 7153 1 14 . 1 1 91 91 PHE CB C 91 37.008 37.008 41.010 -4.002 19792 7154 1 14 . 1 1 91 91 PHE H H 91 8.004 8.004 7.928 0.076 19792 7155 1 15 . 1 1 2 2 HIS HA H 2 4.596 4.596 5.206 -0.610 19792 7156 1 15 . 1 1 2 2 HIS C C 2 171.930 171.930 175.221 -3.291 19792 7157 1 15 . 1 1 2 2 HIS CA C 2 52.879 52.879 56.260 -3.381 19792 7158 1 15 . 1 1 2 2 HIS CB C 2 27.693 27.693 30.800 -3.107 19792 7159 1 15 . 1 1 3 3 MET N N 3 122.778 122.778 120.375 2.403 19792 7160 1 15 . 1 1 3 3 MET HA H 3 4.365 4.365 4.640 -0.275 19792 7161 1 15 . 1 1 3 3 MET C C 3 173.051 173.051 174.095 -1.044 19792 7162 1 15 . 1 1 3 3 MET CA C 3 52.457 52.457 54.628 -2.171 19792 7163 1 15 . 1 1 3 3 MET CB C 3 30.267 30.267 35.075 -4.808 19792 7164 1 15 . 1 1 3 3 MET H H 3 8.407 8.407 8.507 -0.100 19792 7165 1 15 . 1 1 4 4 VAL N N 4 121.985 121.985 116.904 5.081 19792 7166 1 15 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.617 -0.625 19792 7167 1 15 . 1 1 4 4 VAL C C 4 173.161 173.161 175.413 -2.252 19792 7168 1 15 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.007 -2.818 19792 7169 1 15 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.680 -2.367 19792 7170 1 15 . 1 1 4 4 VAL H H 4 8.170 8.170 8.378 -0.208 19792 7171 1 15 . 1 1 5 5 GLU N N 5 124.990 124.990 121.208 3.782 19792 7172 1 15 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.275 -0.113 19792 7173 1 15 . 1 1 5 5 GLU C C 5 173.208 173.208 176.721 -3.513 19792 7174 1 15 . 1 1 5 5 GLU CA C 5 53.271 53.271 56.274 -3.003 19792 7175 1 15 . 1 1 5 5 GLU CB C 5 27.861 27.861 29.925 -2.064 19792 7176 1 15 . 1 1 5 5 GLU H H 5 8.469 8.469 8.808 -0.339 19792 7177 1 15 . 1 1 6 6 ALA N N 6 124.750 124.750 123.166 1.584 19792 7178 1 15 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.524 -0.389 19792 7179 1 15 . 1 1 6 6 ALA C C 6 174.516 174.516 176.377 -1.861 19792 7180 1 15 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.502 -1.931 19792 7181 1 15 . 1 1 6 6 ALA CB C 6 16.604 16.604 18.675 -2.071 19792 7182 1 15 . 1 1 6 6 ALA H H 6 8.229 8.229 7.518 0.711 19792 7183 1 15 . 1 1 7 7 ASP N N 7 119.477 119.477 123.226 -3.749 19792 7184 1 15 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.701 -0.271 19792 7185 1 15 . 1 1 7 7 ASP C C 7 173.005 173.005 175.492 -2.487 19792 7186 1 15 . 1 1 7 7 ASP CA C 7 51.032 51.032 54.045 -3.013 19792 7187 1 15 . 1 1 7 7 ASP CB C 7 38.658 38.658 41.685 -3.027 19792 7188 1 15 . 1 1 7 7 ASP H H 7 8.172 8.172 8.385 -0.213 19792 7189 1 15 . 1 1 8 8 ARG N N 8 121.454 121.454 120.713 0.741 19792 7190 1 15 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.668 -0.565 19792 7191 1 15 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.097 0.611 19792 7192 1 15 . 1 1 8 8 ARG CB C 8 27.813 27.813 29.179 -1.366 19792 7193 1 15 . 1 1 8 8 ARG H H 8 8.168 8.168 8.029 0.139 19792 7194 1 15 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.503 -0.090 19792 7195 1 15 . 1 1 9 9 PRO C C 9 174.662 174.662 176.330 -1.668 19792 7196 1 15 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.438 -1.632 19792 7197 1 15 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.029 -0.558 19792 7198 1 15 . 1 1 10 10 GLY N N 10 108.287 108.287 110.171 -1.884 19792 7199 1 15 . 1 1 10 10 GLY C C 10 169.715 169.715 172.649 -2.934 19792 7200 1 15 . 1 1 10 10 GLY CA C 10 42.529 42.529 44.623 -2.094 19792 7201 1 15 . 1 1 10 10 GLY H H 10 8.769 8.769 8.529 0.240 19792 7202 1 15 . 1 1 11 11 LYS N N 11 122.177 122.177 121.112 1.065 19792 7203 1 15 . 1 1 11 11 LYS HA H 11 4.864 4.864 5.040 -0.176 19792 7204 1 15 . 1 1 11 11 LYS C C 11 172.419 172.419 175.074 -2.655 19792 7205 1 15 . 1 1 11 11 LYS CA C 11 53.417 53.417 55.249 -1.832 19792 7206 1 15 . 1 1 11 11 LYS CB C 11 32.058 32.058 36.586 -4.528 19792 7207 1 15 . 1 1 11 11 LYS H H 11 7.753 7.753 7.763 -0.010 19792 7208 1 15 . 1 1 12 12 LEU N N 12 127.116 127.116 120.351 6.765 19792 7209 1 15 . 1 1 12 12 LEU HA H 12 4.939 4.939 5.122 -0.183 19792 7210 1 15 . 1 1 12 12 LEU C C 12 173.185 173.185 175.907 -2.722 19792 7211 1 15 . 1 1 12 12 LEU CA C 12 50.301 50.301 52.684 -2.383 19792 7212 1 15 . 1 1 12 12 LEU CB C 12 42.075 42.075 46.158 -4.083 19792 7213 1 15 . 1 1 12 12 LEU H H 12 9.465 9.465 8.315 1.150 19792 7214 1 15 . 1 1 13 13 PHE N N 13 122.922 122.922 120.680 2.242 19792 7215 1 15 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.908 -0.196 19792 7216 1 15 . 1 1 13 13 PHE C C 13 170.330 170.330 173.044 -2.714 19792 7217 1 15 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.945 -3.904 19792 7218 1 15 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.100 -4.580 19792 7219 1 15 . 1 1 13 13 PHE H H 13 9.213 9.213 8.907 0.306 19792 7220 1 15 . 1 1 14 14 ILE N N 14 128.128 128.128 126.185 1.943 19792 7221 1 15 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.164 -0.349 19792 7222 1 15 . 1 1 14 14 ILE C C 14 171.441 171.441 174.203 -2.762 19792 7223 1 15 . 1 1 14 14 ILE CA C 14 55.411 55.411 60.137 -4.726 19792 7224 1 15 . 1 1 14 14 ILE CB C 14 36.448 36.448 41.695 -5.247 19792 7225 1 15 . 1 1 14 14 ILE H H 14 8.304 8.304 7.694 0.610 19792 7226 1 15 . 1 1 15 15 GLY N N 15 110.945 110.945 114.727 -3.782 19792 7227 1 15 . 1 1 15 15 GLY C C 15 170.863 170.863 173.833 -2.970 19792 7228 1 15 . 1 1 15 15 GLY CA C 15 40.913 40.913 45.008 -4.095 19792 7229 1 15 . 1 1 15 15 GLY H H 15 8.965 8.965 8.263 0.702 19792 7230 1 15 . 1 1 16 16 GLY N N 16 107.025 107.025 112.175 -5.150 19792 7231 1 15 . 1 1 16 16 GLY C C 16 172.134 172.134 173.868 -1.734 19792 7232 1 15 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.814 -2.952 19792 7233 1 15 . 1 1 16 16 GLY H H 16 7.865 7.865 8.856 -0.991 19792 7234 1 15 . 1 1 17 17 LEU N N 17 115.104 115.104 121.018 -5.914 19792 7235 1 15 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.283 -0.371 19792 7236 1 15 . 1 1 17 17 LEU C C 17 176.024 176.024 176.727 -0.703 19792 7237 1 15 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.285 -2.702 19792 7238 1 15 . 1 1 17 17 LEU CB C 17 40.169 40.169 41.615 -1.446 19792 7239 1 15 . 1 1 17 17 LEU H H 17 7.521 7.521 8.001 -0.480 19792 7240 1 15 . 1 1 18 18 ASN N N 18 120.666 120.666 117.467 3.199 19792 7241 1 15 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.693 -0.307 19792 7242 1 15 . 1 1 18 18 ASN C C 18 176.199 176.199 176.353 -0.154 19792 7243 1 15 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.169 -2.866 19792 7244 1 15 . 1 1 18 18 ASN CB C 18 35.692 35.692 40.227 -4.535 19792 7245 1 15 . 1 1 18 18 ASN H H 18 9.528 9.528 8.325 1.203 19792 7246 1 15 . 1 1 19 19 THR N N 19 123.230 123.230 111.794 11.436 19792 7247 1 15 . 1 1 19 19 THR HA H 19 3.699 3.699 4.454 -0.755 19792 7248 1 15 . 1 1 19 19 THR C C 19 172.195 172.195 174.622 -2.427 19792 7249 1 15 . 1 1 19 19 THR CA C 19 62.512 62.512 63.594 -1.082 19792 7250 1 15 . 1 1 19 19 THR CB C 19 65.438 65.438 68.966 -3.528 19792 7251 1 15 . 1 1 19 19 THR H H 19 8.809 8.809 8.566 0.243 19792 7252 1 15 . 1 1 20 20 GLU N N 20 118.055 118.055 118.992 -0.937 19792 7253 1 15 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.565 -0.389 19792 7254 1 15 . 1 1 20 20 GLU C C 20 174.826 174.826 175.697 -0.871 19792 7255 1 15 . 1 1 20 20 GLU CA C 20 53.181 53.181 54.971 -1.790 19792 7256 1 15 . 1 1 20 20 GLU CB C 20 27.076 27.076 30.176 -3.100 19792 7257 1 15 . 1 1 20 20 GLU H H 20 8.703 8.703 7.903 0.800 19792 7258 1 15 . 1 1 21 21 THR N N 21 119.209 119.209 117.460 1.749 19792 7259 1 15 . 1 1 21 21 THR HA H 21 3.930 3.930 4.340 -0.410 19792 7260 1 15 . 1 1 21 21 THR C C 21 171.688 171.688 173.649 -1.961 19792 7261 1 15 . 1 1 21 21 THR CA C 21 61.882 61.882 63.061 -1.179 19792 7262 1 15 . 1 1 21 21 THR CB C 21 65.397 65.397 69.511 -4.114 19792 7263 1 15 . 1 1 21 21 THR H H 21 7.514 7.514 7.677 -0.163 19792 7264 1 15 . 1 1 22 22 ASN N N 22 126.624 126.624 120.564 6.060 19792 7265 1 15 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.837 -0.068 19792 7266 1 15 . 1 1 22 22 ASN C C 22 172.032 172.032 175.530 -3.498 19792 7267 1 15 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.169 -4.463 19792 7268 1 15 . 1 1 22 22 ASN CB C 22 37.373 37.373 41.327 -3.954 19792 7269 1 15 . 1 1 22 22 ASN H H 22 8.031 8.031 8.291 -0.260 19792 7270 1 15 . 1 1 23 23 GLU N N 23 118.056 118.056 121.921 -3.865 19792 7271 1 15 . 1 1 23 23 GLU HA H 23 3.567 3.567 4.075 -0.508 19792 7272 1 15 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.084 -1.300 19792 7273 1 15 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.415 -3.553 19792 7274 1 15 . 1 1 23 23 GLU H H 23 10.151 10.151 8.830 1.321 19792 7275 1 15 . 1 1 24 24 LYS N N 24 118.897 118.897 119.557 -0.660 19792 7276 1 15 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.336 -0.331 19792 7277 1 15 . 1 1 24 24 LYS C C 24 176.843 176.843 178.597 -1.754 19792 7278 1 15 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.731 -3.000 19792 7279 1 15 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.625 -2.254 19792 7280 1 15 . 1 1 24 24 LYS H H 24 7.839 7.839 8.329 -0.490 19792 7281 1 15 . 1 1 25 25 ALA N N 25 123.210 123.210 120.850 2.360 19792 7282 1 15 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.253 -0.084 19792 7283 1 15 . 1 1 25 25 ALA C C 25 178.048 178.048 179.442 -1.394 19792 7284 1 15 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.258 -2.390 19792 7285 1 15 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.034 -1.895 19792 7286 1 15 . 1 1 25 25 ALA H H 25 7.827 7.827 8.052 -0.225 19792 7287 1 15 . 1 1 26 26 LEU N N 26 116.466 116.466 119.538 -3.072 19792 7288 1 15 . 1 1 26 26 LEU HA H 26 4.024 4.024 3.882 0.142 19792 7289 1 15 . 1 1 26 26 LEU C C 26 176.375 176.375 178.970 -2.595 19792 7290 1 15 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.746 -2.788 19792 7291 1 15 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.671 -1.970 19792 7292 1 15 . 1 1 26 26 LEU H H 26 7.652 7.652 7.462 0.190 19792 7293 1 15 . 1 1 27 27 GLU N N 27 119.789 119.789 118.995 0.794 19792 7294 1 15 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.865 -0.274 19792 7295 1 15 . 1 1 27 27 GLU C C 27 176.206 176.206 178.635 -2.429 19792 7296 1 15 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.817 -2.745 19792 7297 1 15 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.213 -2.146 19792 7298 1 15 . 1 1 27 27 GLU H H 27 8.480 8.480 8.165 0.315 19792 7299 1 15 . 1 1 28 28 ALA N N 28 120.599 120.599 118.693 1.906 19792 7300 1 15 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.238 -0.199 19792 7301 1 15 . 1 1 28 28 ALA C C 28 177.506 177.506 178.643 -1.137 19792 7302 1 15 . 1 1 28 28 ALA CA C 28 51.907 51.907 53.815 -1.908 19792 7303 1 15 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.455 -3.048 19792 7304 1 15 . 1 1 28 28 ALA H H 28 7.837 7.837 7.557 0.280 19792 7305 1 15 . 1 1 29 29 VAL N N 29 115.536 115.536 119.085 -3.549 19792 7306 1 15 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.762 0.064 19792 7307 1 15 . 1 1 29 29 VAL C C 29 174.998 174.998 177.777 -2.779 19792 7308 1 15 . 1 1 29 29 VAL CA C 29 61.999 61.999 66.159 -4.160 19792 7309 1 15 . 1 1 29 29 VAL CB C 29 29.878 29.878 32.066 -2.188 19792 7310 1 15 . 1 1 29 29 VAL H H 29 7.626 7.626 7.381 0.245 19792 7311 1 15 . 1 1 30 30 PHE N N 30 115.465 115.465 117.328 -1.863 19792 7312 1 15 . 1 1 30 30 PHE HA H 30 4.482 4.482 5.022 -0.540 19792 7313 1 15 . 1 1 30 30 PHE C C 30 174.725 174.725 178.014 -3.289 19792 7314 1 15 . 1 1 30 30 PHE CA C 30 59.628 59.628 59.434 0.194 19792 7315 1 15 . 1 1 30 30 PHE CB C 30 35.394 35.394 39.678 -4.284 19792 7316 1 15 . 1 1 30 30 PHE H H 30 8.514 8.514 8.277 0.237 19792 7317 1 15 . 1 1 31 31 GLY N N 31 108.299 108.299 107.825 0.474 19792 7318 1 15 . 1 1 31 31 GLY C C 31 172.455 172.455 175.390 -2.935 19792 7319 1 15 . 1 1 31 31 GLY CA C 31 43.505 43.505 46.661 -3.156 19792 7320 1 15 . 1 1 31 31 GLY H H 31 8.294 8.294 8.779 -0.485 19792 7321 1 15 . 1 1 32 32 LYS N N 32 117.309 117.309 119.398 -2.089 19792 7322 1 15 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.053 -0.127 19792 7323 1 15 . 1 1 32 32 LYS C C 32 174.779 174.779 176.250 -1.471 19792 7324 1 15 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.713 -3.013 19792 7325 1 15 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.214 -2.279 19792 7326 1 15 . 1 1 32 32 LYS H H 32 6.846 6.846 7.765 -0.919 19792 7327 1 15 . 1 1 33 33 TYR N N 33 115.635 115.635 117.433 -1.798 19792 7328 1 15 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.717 -0.600 19792 7329 1 15 . 1 1 33 33 TYR C C 33 171.935 171.935 174.646 -2.711 19792 7330 1 15 . 1 1 33 33 TYR CA C 33 56.609 56.609 57.810 -1.201 19792 7331 1 15 . 1 1 33 33 TYR CB C 33 35.735 35.735 40.229 -4.494 19792 7332 1 15 . 1 1 33 33 TYR H H 33 7.593 7.593 7.873 -0.280 19792 7333 1 15 . 1 1 34 34 GLY N N 34 104.503 104.503 106.617 -2.114 19792 7334 1 15 . 1 1 34 34 GLY C C 34 168.962 168.962 172.517 -3.555 19792 7335 1 15 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.728 -4.165 19792 7336 1 15 . 1 1 34 34 GLY H H 34 7.253 7.253 7.597 -0.344 19792 7337 1 15 . 1 1 35 35 ARG N N 35 116.679 116.679 122.109 -5.430 19792 7338 1 15 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.812 -0.697 19792 7339 1 15 . 1 1 35 35 ARG C C 35 174.272 174.272 175.120 -0.848 19792 7340 1 15 . 1 1 35 35 ARG CA C 35 54.785 54.785 54.909 -0.124 19792 7341 1 15 . 1 1 35 35 ARG CB C 35 27.958 27.958 32.008 -4.050 19792 7342 1 15 . 1 1 35 35 ARG H H 35 8.196 8.196 8.889 -0.693 19792 7343 1 15 . 1 1 36 36 ILE N N 36 128.885 128.885 126.386 2.499 19792 7344 1 15 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.041 -0.214 19792 7345 1 15 . 1 1 36 36 ILE C C 36 173.725 173.725 175.662 -1.937 19792 7346 1 15 . 1 1 36 36 ILE CA C 36 57.740 57.740 62.243 -4.503 19792 7347 1 15 . 1 1 36 36 ILE CB C 36 37.006 37.006 39.020 -2.014 19792 7348 1 15 . 1 1 36 36 ILE H H 36 8.760 8.760 8.744 0.016 19792 7349 1 15 . 1 1 37 37 VAL N N 37 122.612 122.612 124.887 -2.275 19792 7350 1 15 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.274 -0.191 19792 7351 1 15 . 1 1 37 37 VAL C C 37 172.917 172.917 174.798 -1.881 19792 7352 1 15 . 1 1 37 37 VAL CA C 37 59.346 59.346 62.078 -2.732 19792 7353 1 15 . 1 1 37 37 VAL CB C 37 30.375 30.375 32.809 -2.434 19792 7354 1 15 . 1 1 37 37 VAL H H 37 8.751 8.751 8.344 0.407 19792 7355 1 15 . 1 1 38 38 GLU N N 38 118.683 118.683 119.466 -0.783 19792 7356 1 15 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.609 -0.241 19792 7357 1 15 . 1 1 38 38 GLU C C 38 170.647 170.647 174.286 -3.639 19792 7358 1 15 . 1 1 38 38 GLU CA C 38 53.636 53.636 55.981 -2.345 19792 7359 1 15 . 1 1 38 38 GLU CB C 38 31.112 31.112 33.488 -2.376 19792 7360 1 15 . 1 1 38 38 GLU H H 38 7.075 7.075 7.787 -0.712 19792 7361 1 15 . 1 1 39 39 VAL N N 39 125.880 125.880 120.947 4.933 19792 7362 1 15 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.243 0.076 19792 7363 1 15 . 1 1 39 39 VAL C C 39 170.693 170.693 174.131 -3.438 19792 7364 1 15 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.047 -1.992 19792 7365 1 15 . 1 1 39 39 VAL CB C 39 31.077 31.077 34.529 -3.452 19792 7366 1 15 . 1 1 39 39 VAL H H 39 8.509 8.509 8.282 0.227 19792 7367 1 15 . 1 1 40 40 LEU N N 40 129.331 129.331 128.377 0.954 19792 7368 1 15 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.808 -0.133 19792 7369 1 15 . 1 1 40 40 LEU C C 40 171.627 171.627 174.410 -2.783 19792 7370 1 15 . 1 1 40 40 LEU CA C 40 50.744 50.744 54.547 -3.803 19792 7371 1 15 . 1 1 40 40 LEU CB C 40 42.066 42.066 45.212 -3.146 19792 7372 1 15 . 1 1 40 40 LEU H H 40 8.928 8.928 8.439 0.489 19792 7373 1 15 . 1 1 41 41 LEU N N 41 128.574 128.574 126.455 2.119 19792 7374 1 15 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.622 -0.282 19792 7375 1 15 . 1 1 41 41 LEU C C 41 172.935 172.935 176.121 -3.186 19792 7376 1 15 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.177 -3.301 19792 7377 1 15 . 1 1 41 41 LEU CB C 41 41.547 41.547 44.268 -2.721 19792 7378 1 15 . 1 1 41 41 LEU H H 41 9.023 9.023 8.456 0.567 19792 7379 1 15 . 1 1 42 42 MET N N 42 125.617 125.617 126.143 -0.526 19792 7380 1 15 . 1 1 42 42 MET HA H 42 4.357 4.357 4.717 -0.360 19792 7381 1 15 . 1 1 42 42 MET C C 42 172.606 172.606 175.089 -2.483 19792 7382 1 15 . 1 1 42 42 MET CA C 42 51.857 51.857 53.992 -2.135 19792 7383 1 15 . 1 1 42 42 MET CB C 42 27.700 27.700 33.646 -5.946 19792 7384 1 15 . 1 1 42 42 MET H H 42 7.988 7.988 8.758 -0.770 19792 7385 1 15 . 1 1 43 43 LYS N N 43 121.956 121.956 118.869 3.087 19792 7386 1 15 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.682 0.077 19792 7387 1 15 . 1 1 43 43 LYS C C 43 173.591 173.591 175.081 -1.490 19792 7388 1 15 . 1 1 43 43 LYS CA C 43 51.608 51.608 55.123 -3.514 19792 7389 1 15 . 1 1 43 43 LYS CB C 43 33.447 33.447 36.128 -2.681 19792 7390 1 15 . 1 1 43 43 LYS H H 43 8.289 8.289 8.140 0.149 19792 7391 1 15 . 1 1 44 44 ASP N N 44 123.608 123.608 122.854 0.754 19792 7392 1 15 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.617 -0.146 19792 7393 1 15 . 1 1 44 44 ASP C C 44 174.790 174.790 176.960 -2.170 19792 7394 1 15 . 1 1 44 44 ASP CA C 44 51.279 51.279 54.900 -3.621 19792 7395 1 15 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.826 -2.649 19792 7396 1 15 . 1 1 44 44 ASP H H 44 8.693 8.693 8.801 -0.108 19792 7397 1 15 . 1 1 45 45 ARG N N 45 126.884 126.884 125.414 1.470 19792 7398 1 15 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.136 -0.160 19792 7399 1 15 . 1 1 45 45 ARG C C 45 174.578 174.578 177.112 -2.534 19792 7400 1 15 . 1 1 45 45 ARG CA C 45 55.637 55.637 57.389 -1.752 19792 7401 1 15 . 1 1 45 45 ARG CB C 45 27.544 27.544 29.522 -1.978 19792 7402 1 15 . 1 1 45 45 ARG H H 45 8.875 8.875 8.623 0.252 19792 7403 1 15 . 1 1 46 46 GLU N N 46 117.313 117.313 119.229 -1.916 19792 7404 1 15 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.148 0.034 19792 7405 1 15 . 1 1 46 46 GLU C C 46 175.625 175.625 177.648 -2.023 19792 7406 1 15 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.640 -3.012 19792 7407 1 15 . 1 1 46 46 GLU CB C 46 27.597 27.597 29.479 -1.882 19792 7408 1 15 . 1 1 46 46 GLU H H 46 8.561 8.561 8.342 0.219 19792 7409 1 15 . 1 1 47 47 THR N N 47 107.019 107.019 110.642 -3.623 19792 7410 1 15 . 1 1 47 47 THR HA H 47 4.277 4.277 4.408 -0.131 19792 7411 1 15 . 1 1 47 47 THR C C 47 173.242 173.242 173.281 -0.039 19792 7412 1 15 . 1 1 47 47 THR CA C 47 58.709 58.709 61.751 -3.042 19792 7413 1 15 . 1 1 47 47 THR CB C 47 67.971 67.971 69.074 -1.103 19792 7414 1 15 . 1 1 47 47 THR H H 47 8.053 8.053 7.810 0.243 19792 7415 1 15 . 1 1 48 48 ASN N N 48 117.468 117.468 116.434 1.034 19792 7416 1 15 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.332 0.003 19792 7417 1 15 . 1 1 48 48 ASN C C 48 171.106 171.106 174.761 -3.655 19792 7418 1 15 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.676 -2.546 19792 7419 1 15 . 1 1 48 48 ASN CB C 48 35.645 35.645 36.766 -1.121 19792 7420 1 15 . 1 1 48 48 ASN H H 48 8.230 8.230 8.136 0.094 19792 7421 1 15 . 1 1 49 49 LYS N N 49 117.523 117.523 118.797 -1.274 19792 7422 1 15 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.082 0.214 19792 7423 1 15 . 1 1 49 49 LYS C C 49 173.910 173.910 176.674 -2.764 19792 7424 1 15 . 1 1 49 49 LYS CA C 49 52.763 52.763 57.130 -4.367 19792 7425 1 15 . 1 1 49 49 LYS CB C 49 31.039 31.039 32.774 -1.735 19792 7426 1 15 . 1 1 49 49 LYS H H 49 7.517 7.517 7.650 -0.133 19792 7427 1 15 . 1 1 50 50 SER N N 50 115.960 115.960 116.433 -0.473 19792 7428 1 15 . 1 1 50 50 SER HA H 50 4.197 4.197 4.651 -0.454 19792 7429 1 15 . 1 1 50 50 SER C C 50 173.417 173.417 175.306 -1.889 19792 7430 1 15 . 1 1 50 50 SER CA C 50 55.614 55.614 58.165 -2.551 19792 7431 1 15 . 1 1 50 50 SER CB C 50 61.524 61.524 63.668 -2.144 19792 7432 1 15 . 1 1 50 50 SER H H 50 8.705 8.705 8.092 0.613 19792 7433 1 15 . 1 1 51 51 ARG N N 51 124.058 124.058 125.607 -1.549 19792 7434 1 15 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.304 0.004 19792 7435 1 15 . 1 1 51 51 ARG C C 51 174.657 174.657 177.445 -2.788 19792 7436 1 15 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.713 -2.320 19792 7437 1 15 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.513 -1.734 19792 7438 1 15 . 1 1 51 51 ARG H H 51 9.023 9.023 8.338 0.685 19792 7439 1 15 . 1 1 52 52 GLY N N 52 106.703 106.703 107.464 -0.761 19792 7440 1 15 . 1 1 52 52 GLY C C 52 168.863 168.863 172.531 -3.668 19792 7441 1 15 . 1 1 52 52 GLY CA C 52 42.919 42.919 44.404 -1.484 19792 7442 1 15 . 1 1 52 52 GLY H H 52 9.129 9.129 8.743 0.386 19792 7443 1 15 . 1 1 53 53 PHE N N 53 112.307 112.307 116.296 -3.989 19792 7444 1 15 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.538 -0.295 19792 7445 1 15 . 1 1 53 53 PHE C C 53 169.552 169.552 173.198 -3.646 19792 7446 1 15 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.338 -2.243 19792 7447 1 15 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.738 -2.824 19792 7448 1 15 . 1 1 53 53 PHE H H 53 6.845 6.845 7.105 -0.260 19792 7449 1 15 . 1 1 54 54 ALA N N 54 120.987 120.987 123.768 -2.781 19792 7450 1 15 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.690 0.204 19792 7451 1 15 . 1 1 54 54 ALA C C 54 171.062 171.062 174.385 -3.323 19792 7452 1 15 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.318 -4.269 19792 7453 1 15 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.696 0.130 19792 7454 1 15 . 1 1 54 54 ALA H H 54 8.970 8.970 8.868 0.102 19792 7455 1 15 . 1 1 55 55 PHE N N 55 114.157 114.157 118.996 -4.839 19792 7456 1 15 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.976 0.792 19792 7457 1 15 . 1 1 55 55 PHE C C 55 173.605 173.605 173.181 0.424 19792 7458 1 15 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.272 -3.192 19792 7459 1 15 . 1 1 55 55 PHE CB C 55 40.029 40.029 42.857 -2.828 19792 7460 1 15 . 1 1 55 55 PHE H H 55 8.837 8.837 8.295 0.542 19792 7461 1 15 . 1 1 56 56 VAL N N 56 123.812 123.812 126.069 -2.257 19792 7462 1 15 . 1 1 56 56 VAL HA H 56 4.474 4.474 3.712 0.762 19792 7463 1 15 . 1 1 56 56 VAL C C 56 171.401 171.401 173.724 -2.323 19792 7464 1 15 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.181 -2.333 19792 7465 1 15 . 1 1 56 56 VAL CB C 56 32.527 32.527 34.434 -1.907 19792 7466 1 15 . 1 1 56 56 VAL H H 56 8.558 8.558 7.921 0.637 19792 7467 1 15 . 1 1 57 57 THR N N 57 123.000 123.000 121.430 1.570 19792 7468 1 15 . 1 1 57 57 THR HA H 57 4.974 4.974 4.620 0.354 19792 7469 1 15 . 1 1 57 57 THR C C 57 171.340 171.340 173.497 -2.157 19792 7470 1 15 . 1 1 57 57 THR CA C 57 58.659 58.659 61.389 -2.730 19792 7471 1 15 . 1 1 57 57 THR CB C 57 66.662 66.662 70.070 -3.408 19792 7472 1 15 . 1 1 57 57 THR H H 57 8.808 8.808 7.365 1.443 19792 7473 1 15 . 1 1 58 58 PHE N N 58 128.385 128.385 117.549 10.836 19792 7474 1 15 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.799 -0.116 19792 7475 1 15 . 1 1 58 58 PHE C C 58 172.367 172.367 175.671 -3.304 19792 7476 1 15 . 1 1 58 58 PHE CA C 58 55.449 55.449 57.044 -1.595 19792 7477 1 15 . 1 1 58 58 PHE CB C 58 37.909 37.909 42.575 -4.667 19792 7478 1 15 . 1 1 58 58 PHE H H 58 8.835 8.835 8.480 0.355 19792 7479 1 15 . 1 1 59 59 GLU N N 59 121.627 121.627 121.614 0.013 19792 7480 1 15 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.198 -0.432 19792 7481 1 15 . 1 1 59 59 GLU C C 59 173.666 173.666 176.485 -2.819 19792 7482 1 15 . 1 1 59 59 GLU CA C 59 56.293 56.293 58.532 -2.240 19792 7483 1 15 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.397 -2.610 19792 7484 1 15 . 1 1 59 59 GLU H H 59 8.067 8.067 8.822 -0.755 19792 7485 1 15 . 1 1 60 60 SER N N 60 112.302 112.302 112.523 -0.221 19792 7486 1 15 . 1 1 60 60 SER HA H 60 5.163 5.163 4.763 0.400 19792 7487 1 15 . 1 1 60 60 SER CA C 60 50.137 50.137 55.837 -5.700 19792 7488 1 15 . 1 1 60 60 SER CB C 60 61.350 61.350 64.517 -3.167 19792 7489 1 15 . 1 1 60 60 SER H H 60 9.333 9.333 7.736 1.597 19792 7490 1 15 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.466 -0.468 19792 7491 1 15 . 1 1 61 61 PRO CA C 61 61.850 61.850 65.286 -3.436 19792 7492 1 15 . 1 1 61 61 PRO CB C 61 29.391 29.391 31.915 -2.524 19792 7493 1 15 . 1 1 62 62 ALA N N 62 121.088 121.088 121.372 -0.284 19792 7494 1 15 . 1 1 62 62 ALA HA H 62 3.932 3.932 3.996 -0.064 19792 7495 1 15 . 1 1 62 62 ALA C C 62 176.826 176.826 179.117 -2.291 19792 7496 1 15 . 1 1 62 62 ALA CA C 62 52.266 52.266 55.412 -3.146 19792 7497 1 15 . 1 1 62 62 ALA CB C 62 15.618 15.618 17.660 -2.042 19792 7498 1 15 . 1 1 62 62 ALA H H 62 7.821 7.821 8.284 -0.463 19792 7499 1 15 . 1 1 63 63 ASP N N 63 120.099 120.099 118.831 1.268 19792 7500 1 15 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.379 -0.287 19792 7501 1 15 . 1 1 63 63 ASP C C 63 174.505 174.505 178.123 -3.618 19792 7502 1 15 . 1 1 63 63 ASP CA C 63 53.809 53.809 57.576 -3.767 19792 7503 1 15 . 1 1 63 63 ASP CB C 63 37.374 37.374 39.941 -2.567 19792 7504 1 15 . 1 1 63 63 ASP H H 63 6.960 6.960 8.803 -1.843 19792 7505 1 15 . 1 1 64 64 ALA N N 64 119.533 119.533 121.185 -1.652 19792 7506 1 15 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.624 -0.483 19792 7507 1 15 . 1 1 64 64 ALA C C 64 176.037 176.037 179.369 -3.332 19792 7508 1 15 . 1 1 64 64 ALA CA C 64 51.399 51.399 54.280 -2.881 19792 7509 1 15 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.560 -2.995 19792 7510 1 15 . 1 1 64 64 ALA H H 64 6.771 6.771 7.343 -0.572 19792 7511 1 15 . 1 1 65 65 LYS N N 65 117.395 117.395 119.779 -2.384 19792 7512 1 15 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.965 -0.238 19792 7513 1 15 . 1 1 65 65 LYS C C 65 176.716 176.716 178.609 -1.893 19792 7514 1 15 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.365 -2.682 19792 7515 1 15 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.286 -3.103 19792 7516 1 15 . 1 1 65 65 LYS H H 65 7.478 7.478 7.695 -0.217 19792 7517 1 15 . 1 1 66 66 ASP N N 66 120.839 120.839 118.813 2.026 19792 7518 1 15 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.457 -0.274 19792 7519 1 15 . 1 1 66 66 ASP C C 66 175.111 175.111 178.667 -3.556 19792 7520 1 15 . 1 1 66 66 ASP CA C 66 54.430 54.430 57.092 -2.662 19792 7521 1 15 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.907 -3.187 19792 7522 1 15 . 1 1 66 66 ASP H H 66 7.403 7.403 7.998 -0.595 19792 7523 1 15 . 1 1 67 67 ALA N N 67 122.056 122.056 121.229 0.827 19792 7524 1 15 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.619 -1.459 19792 7525 1 15 . 1 1 67 67 ALA C C 67 176.448 176.448 178.552 -2.104 19792 7526 1 15 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.265 -2.966 19792 7527 1 15 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.170 -0.917 19792 7528 1 15 . 1 1 67 67 ALA H H 67 7.737 7.737 7.955 -0.218 19792 7529 1 15 . 1 1 68 68 ALA N N 68 118.624 118.624 119.449 -0.825 19792 7530 1 15 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.091 -0.392 19792 7531 1 15 . 1 1 68 68 ALA C C 68 176.619 176.619 178.886 -2.267 19792 7532 1 15 . 1 1 68 68 ALA CA C 68 52.280 52.280 54.102 -1.822 19792 7533 1 15 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.917 -4.068 19792 7534 1 15 . 1 1 68 68 ALA H H 68 8.108 8.108 7.376 0.732 19792 7535 1 15 . 1 1 69 69 ARG N N 69 116.265 116.265 116.378 -0.113 19792 7536 1 15 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.263 -0.331 19792 7537 1 15 . 1 1 69 69 ARG C C 69 175.857 175.857 178.174 -2.317 19792 7538 1 15 . 1 1 69 69 ARG CA C 69 55.734 55.734 57.648 -1.914 19792 7539 1 15 . 1 1 69 69 ARG CB C 69 27.249 27.249 30.501 -3.252 19792 7540 1 15 . 1 1 69 69 ARG H H 69 7.599 7.599 7.819 -0.220 19792 7541 1 15 . 1 1 70 70 ASP N N 70 116.202 116.202 119.657 -3.455 19792 7542 1 15 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.476 0.079 19792 7543 1 15 . 1 1 70 70 ASP C C 70 174.867 174.867 177.609 -2.742 19792 7544 1 15 . 1 1 70 70 ASP CA C 70 53.314 53.314 56.247 -2.933 19792 7545 1 15 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.030 -1.191 19792 7546 1 15 . 1 1 70 70 ASP H H 70 7.657 7.657 7.553 0.104 19792 7547 1 15 . 1 1 71 71 MET N N 71 111.561 111.561 116.642 -5.081 19792 7548 1 15 . 1 1 71 71 MET HA H 71 4.742 4.742 4.242 0.500 19792 7549 1 15 . 1 1 71 71 MET C C 71 175.174 175.174 175.929 -0.755 19792 7550 1 15 . 1 1 71 71 MET CA C 71 50.378 50.378 56.431 -6.053 19792 7551 1 15 . 1 1 71 71 MET CB C 71 29.047 29.047 32.205 -3.158 19792 7552 1 15 . 1 1 71 71 MET H H 71 8.069 8.069 8.005 0.064 19792 7553 1 15 . 1 1 72 72 ASN N N 72 116.196 116.196 117.439 -1.243 19792 7554 1 15 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.550 -0.269 19792 7555 1 15 . 1 1 72 72 ASN C C 72 173.812 173.812 176.232 -2.420 19792 7556 1 15 . 1 1 72 72 ASN CA C 72 53.826 53.826 54.753 -0.927 19792 7557 1 15 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.994 -3.109 19792 7558 1 15 . 1 1 72 72 ASN H H 72 7.442 7.442 7.565 -0.123 19792 7559 1 15 . 1 1 73 73 GLY N N 73 116.956 116.956 111.263 5.693 19792 7560 1 15 . 1 1 73 73 GLY C C 73 171.629 171.629 174.165 -2.536 19792 7561 1 15 . 1 1 73 73 GLY CA C 73 43.091 43.091 45.932 -2.841 19792 7562 1 15 . 1 1 73 73 GLY H H 73 8.884 8.884 8.276 0.608 19792 7563 1 15 . 1 1 74 74 LYS N N 74 120.829 120.829 117.978 2.851 19792 7564 1 15 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.681 -0.441 19792 7565 1 15 . 1 1 74 74 LYS C C 74 172.132 172.132 174.623 -2.491 19792 7566 1 15 . 1 1 74 74 LYS CA C 74 52.333 52.333 54.342 -2.009 19792 7567 1 15 . 1 1 74 74 LYS CB C 74 30.131 30.131 34.862 -4.731 19792 7568 1 15 . 1 1 74 74 LYS H H 74 7.797 7.797 7.762 0.035 19792 7569 1 15 . 1 1 75 75 SER N N 75 112.883 112.883 115.216 -2.333 19792 7570 1 15 . 1 1 75 75 SER HA H 75 4.940 4.940 5.102 -0.162 19792 7571 1 15 . 1 1 75 75 SER C C 75 171.838 171.838 173.091 -1.253 19792 7572 1 15 . 1 1 75 75 SER CA C 75 54.722 54.722 56.658 -1.936 19792 7573 1 15 . 1 1 75 75 SER CB C 75 61.242 61.242 65.000 -3.758 19792 7574 1 15 . 1 1 75 75 SER H H 75 8.037 8.037 8.407 -0.370 19792 7575 1 15 . 1 1 76 76 LEU N N 76 127.669 127.669 127.685 -0.016 19792 7576 1 15 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.710 -0.274 19792 7577 1 15 . 1 1 76 76 LEU C C 76 173.849 173.849 175.843 -1.994 19792 7578 1 15 . 1 1 76 76 LEU CA C 76 51.775 51.775 54.431 -2.656 19792 7579 1 15 . 1 1 76 76 LEU CB C 76 41.886 41.886 43.132 -1.246 19792 7580 1 15 . 1 1 76 76 LEU H H 76 8.988 8.988 9.133 -0.145 19792 7581 1 15 . 1 1 77 77 ASP N N 77 129.054 129.054 127.559 1.495 19792 7582 1 15 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.336 -0.162 19792 7583 1 15 . 1 1 77 77 ASP C C 77 173.415 173.415 176.243 -2.828 19792 7584 1 15 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.228 -2.352 19792 7585 1 15 . 1 1 77 77 ASP CB C 77 36.413 36.413 39.483 -3.071 19792 7586 1 15 . 1 1 77 77 ASP H H 77 9.523 9.523 9.264 0.259 19792 7587 1 15 . 1 1 78 78 GLY N N 78 101.915 101.915 101.346 0.569 19792 7588 1 15 . 1 1 78 78 GLY C C 78 170.989 170.989 174.095 -3.106 19792 7589 1 15 . 1 1 78 78 GLY CA C 78 42.769 42.769 44.962 -2.193 19792 7590 1 15 . 1 1 78 78 GLY H H 78 8.396 8.396 8.303 0.093 19792 7591 1 15 . 1 1 79 79 LYS N N 79 119.791 119.791 121.698 -1.907 19792 7592 1 15 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.661 -0.115 19792 7593 1 15 . 1 1 79 79 LYS C C 79 171.513 171.513 175.348 -3.835 19792 7594 1 15 . 1 1 79 79 LYS CA C 79 50.277 50.277 53.945 -3.668 19792 7595 1 15 . 1 1 79 79 LYS CB C 79 31.955 31.955 33.830 -1.875 19792 7596 1 15 . 1 1 79 79 LYS H H 79 7.269 7.269 7.644 -0.375 19792 7597 1 15 . 1 1 80 80 ALA N N 80 125.002 125.002 128.606 -3.604 19792 7598 1 15 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.514 -0.149 19792 7599 1 15 . 1 1 80 80 ALA C C 80 175.007 175.007 177.112 -2.105 19792 7600 1 15 . 1 1 80 80 ALA CA C 80 48.381 48.381 52.776 -4.395 19792 7601 1 15 . 1 1 80 80 ALA CB C 80 15.215 15.215 19.285 -4.070 19792 7602 1 15 . 1 1 80 80 ALA H H 80 8.235 8.235 8.829 -0.594 19792 7603 1 15 . 1 1 81 81 ILE N N 81 119.947 119.947 118.346 1.601 19792 7604 1 15 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.625 -0.011 19792 7605 1 15 . 1 1 81 81 ILE C C 81 172.389 172.389 173.881 -1.492 19792 7606 1 15 . 1 1 81 81 ILE CA C 81 57.921 57.921 59.537 -1.616 19792 7607 1 15 . 1 1 81 81 ILE CB C 81 37.547 37.547 40.999 -3.452 19792 7608 1 15 . 1 1 81 81 ILE H H 81 8.204 8.204 8.757 -0.553 19792 7609 1 15 . 1 1 82 82 LYS N N 82 123.700 123.700 122.273 1.427 19792 7610 1 15 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.876 -0.030 19792 7611 1 15 . 1 1 82 82 LYS C C 82 172.571 172.571 174.967 -2.396 19792 7612 1 15 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.696 -4.355 19792 7613 1 15 . 1 1 82 82 LYS CB C 82 31.948 31.948 34.469 -2.521 19792 7614 1 15 . 1 1 82 82 LYS H H 82 8.460 8.460 8.410 0.050 19792 7615 1 15 . 1 1 83 83 VAL N N 83 123.707 123.707 127.819 -4.112 19792 7616 1 15 . 1 1 83 83 VAL HA H 83 5.068 5.068 4.931 0.137 19792 7617 1 15 . 1 1 83 83 VAL C C 83 171.831 171.831 174.110 -2.279 19792 7618 1 15 . 1 1 83 83 VAL CA C 83 57.954 57.954 61.292 -3.338 19792 7619 1 15 . 1 1 83 83 VAL CB C 83 31.979 31.979 33.647 -1.668 19792 7620 1 15 . 1 1 83 83 VAL H H 83 8.653 8.653 9.298 -0.645 19792 7621 1 15 . 1 1 84 84 GLU N N 84 123.150 123.150 126.545 -3.395 19792 7622 1 15 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.802 -0.118 19792 7623 1 15 . 1 1 84 84 GLU C C 84 172.141 172.141 174.515 -2.374 19792 7624 1 15 . 1 1 84 84 GLU CA C 84 51.305 51.305 53.866 -2.561 19792 7625 1 15 . 1 1 84 84 GLU CB C 84 31.690 31.690 32.992 -1.302 19792 7626 1 15 . 1 1 84 84 GLU H H 84 8.977 8.977 9.051 -0.074 19792 7627 1 15 . 1 1 85 85 GLN N N 85 121.740 121.740 118.585 3.155 19792 7628 1 15 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.581 -0.332 19792 7629 1 15 . 1 1 85 85 GLN C C 85 173.263 173.263 175.641 -2.378 19792 7630 1 15 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.272 -0.015 19792 7631 1 15 . 1 1 85 85 GLN CB C 85 26.519 26.519 29.763 -3.244 19792 7632 1 15 . 1 1 85 85 GLN H H 85 8.835 8.835 8.764 0.071 19792 7633 1 15 . 1 1 86 86 ALA N N 86 127.885 127.885 132.281 -4.396 19792 7634 1 15 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.026 0.408 19792 7635 1 15 . 1 1 86 86 ALA C C 86 174.487 174.487 176.853 -2.366 19792 7636 1 15 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.965 -2.949 19792 7637 1 15 . 1 1 86 86 ALA CB C 86 16.340 16.340 18.052 -1.712 19792 7638 1 15 . 1 1 86 86 ALA H H 86 8.608 8.608 9.041 -0.433 19792 7639 1 15 . 1 1 87 87 THR N N 87 113.372 113.372 117.279 -3.907 19792 7640 1 15 . 1 1 87 87 THR HA H 87 4.339 4.339 4.621 -0.282 19792 7641 1 15 . 1 1 87 87 THR C C 87 171.331 171.331 173.129 -1.798 19792 7642 1 15 . 1 1 87 87 THR CA C 87 58.219 58.219 61.034 -2.815 19792 7643 1 15 . 1 1 87 87 THR CB C 87 67.397 67.397 70.731 -3.334 19792 7644 1 15 . 1 1 87 87 THR H H 87 8.271 8.271 7.773 0.498 19792 7645 1 15 . 1 1 88 88 LYS N N 88 123.502 123.502 121.370 2.132 19792 7646 1 15 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.725 -0.252 19792 7647 1 15 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.926 -2.315 19792 7648 1 15 . 1 1 88 88 LYS CB C 88 29.867 29.867 33.627 -3.760 19792 7649 1 15 . 1 1 88 88 LYS H H 88 8.203 8.203 8.210 -0.007 19792 7650 1 15 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.514 -0.320 19792 7651 1 15 . 1 1 89 89 PRO C C 89 173.726 173.726 176.388 -2.662 19792 7652 1 15 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.380 -3.310 19792 7653 1 15 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.361 -3.046 19792 7654 1 15 . 1 1 90 90 SER N N 90 115.260 115.260 113.211 2.049 19792 7655 1 15 . 1 1 90 90 SER HA H 90 4.229 4.229 4.656 -0.427 19792 7656 1 15 . 1 1 90 90 SER C C 90 171.123 171.123 172.354 -1.231 19792 7657 1 15 . 1 1 90 90 SER CA C 90 55.017 55.017 57.865 -2.848 19792 7658 1 15 . 1 1 90 90 SER CB C 90 60.977 60.977 65.158 -4.181 19792 7659 1 15 . 1 1 90 90 SER H H 90 7.991 7.991 7.581 0.410 19792 7660 1 15 . 1 1 91 91 PHE N N 91 121.128 121.128 121.696 -0.568 19792 7661 1 15 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.916 -0.389 19792 7662 1 15 . 1 1 91 91 PHE C C 91 171.798 171.798 174.457 -2.659 19792 7663 1 15 . 1 1 91 91 PHE CA C 91 54.467 54.467 57.271 -2.804 19792 7664 1 15 . 1 1 91 91 PHE CB C 91 37.008 37.008 41.180 -4.172 19792 7665 1 15 . 1 1 91 91 PHE H H 91 8.004 8.004 8.516 -0.512 19792 7666 1 16 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.246 0.350 19792 7667 1 16 . 1 1 2 2 HIS C C 2 171.930 171.930 173.948 -2.018 19792 7668 1 16 . 1 1 2 2 HIS CA C 2 52.879 52.879 56.240 -3.361 19792 7669 1 16 . 1 1 2 2 HIS CB C 2 27.693 27.693 29.974 -2.281 19792 7670 1 16 . 1 1 3 3 MET N N 3 122.778 122.778 120.603 2.175 19792 7671 1 16 . 1 1 3 3 MET HA H 3 4.365 4.365 4.854 -0.489 19792 7672 1 16 . 1 1 3 3 MET C C 3 173.051 173.051 175.675 -2.624 19792 7673 1 16 . 1 1 3 3 MET CA C 3 52.457 52.457 55.383 -2.926 19792 7674 1 16 . 1 1 3 3 MET CB C 3 30.267 30.267 35.012 -4.745 19792 7675 1 16 . 1 1 3 3 MET H H 3 8.407 8.407 8.401 0.006 19792 7676 1 16 . 1 1 4 4 VAL N N 4 121.985 121.985 123.142 -1.157 19792 7677 1 16 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.397 -0.405 19792 7678 1 16 . 1 1 4 4 VAL C C 4 173.161 173.161 175.344 -2.183 19792 7679 1 16 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.377 -3.188 19792 7680 1 16 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.026 -1.712 19792 7681 1 16 . 1 1 4 4 VAL H H 4 8.170 8.170 8.731 -0.561 19792 7682 1 16 . 1 1 5 5 GLU N N 5 124.990 124.990 119.867 5.123 19792 7683 1 16 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.342 -0.180 19792 7684 1 16 . 1 1 5 5 GLU C C 5 173.208 173.208 175.648 -2.440 19792 7685 1 16 . 1 1 5 5 GLU CA C 5 53.271 53.271 56.226 -2.955 19792 7686 1 16 . 1 1 5 5 GLU CB C 5 27.861 27.861 29.829 -1.968 19792 7687 1 16 . 1 1 5 5 GLU H H 5 8.469 8.469 8.548 -0.079 19792 7688 1 16 . 1 1 6 6 ALA N N 6 124.750 124.750 123.862 0.888 19792 7689 1 16 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.521 -0.386 19792 7690 1 16 . 1 1 6 6 ALA C C 6 174.516 174.516 176.573 -2.057 19792 7691 1 16 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.406 -1.835 19792 7692 1 16 . 1 1 6 6 ALA CB C 6 16.604 16.604 20.300 -3.696 19792 7693 1 16 . 1 1 6 6 ALA H H 6 8.229 8.229 7.498 0.731 19792 7694 1 16 . 1 1 7 7 ASP N N 7 119.477 119.477 119.962 -0.485 19792 7695 1 16 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.795 -0.365 19792 7696 1 16 . 1 1 7 7 ASP C C 7 173.005 173.005 175.010 -2.005 19792 7697 1 16 . 1 1 7 7 ASP CA C 7 51.032 51.032 53.518 -2.486 19792 7698 1 16 . 1 1 7 7 ASP CB C 7 38.658 38.658 42.417 -3.760 19792 7699 1 16 . 1 1 7 7 ASP H H 7 8.172 8.172 8.393 -0.221 19792 7700 1 16 . 1 1 8 8 ARG N N 8 121.454 121.454 120.978 0.476 19792 7701 1 16 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.518 -0.415 19792 7702 1 16 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.779 -0.071 19792 7703 1 16 . 1 1 8 8 ARG CB C 8 27.813 27.813 33.327 -5.513 19792 7704 1 16 . 1 1 8 8 ARG H H 8 8.168 8.168 8.370 -0.202 19792 7705 1 16 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.667 -0.254 19792 7706 1 16 . 1 1 9 9 PRO C C 9 174.662 174.662 176.636 -1.974 19792 7707 1 16 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.766 -1.960 19792 7708 1 16 . 1 1 9 9 PRO CB C 9 29.471 29.471 32.697 -3.226 19792 7709 1 16 . 1 1 10 10 GLY N N 10 108.287 108.287 108.132 0.155 19792 7710 1 16 . 1 1 10 10 GLY C C 10 169.715 169.715 174.499 -4.784 19792 7711 1 16 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.370 -2.841 19792 7712 1 16 . 1 1 10 10 GLY H H 10 8.769 8.769 8.109 0.660 19792 7713 1 16 . 1 1 11 11 LYS N N 11 122.177 122.177 120.175 2.002 19792 7714 1 16 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.465 0.399 19792 7715 1 16 . 1 1 11 11 LYS C C 11 172.419 172.419 176.369 -3.950 19792 7716 1 16 . 1 1 11 11 LYS CA C 11 53.417 53.417 57.614 -4.197 19792 7717 1 16 . 1 1 11 11 LYS CB C 11 32.058 32.058 33.302 -1.244 19792 7718 1 16 . 1 1 11 11 LYS H H 11 7.753 7.753 7.863 -0.110 19792 7719 1 16 . 1 1 12 12 LEU N N 12 127.116 127.116 121.072 6.044 19792 7720 1 16 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.746 0.193 19792 7721 1 16 . 1 1 12 12 LEU C C 12 173.185 173.185 175.525 -2.340 19792 7722 1 16 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.152 -2.851 19792 7723 1 16 . 1 1 12 12 LEU CB C 12 42.075 42.075 46.491 -4.416 19792 7724 1 16 . 1 1 12 12 LEU H H 12 9.465 9.465 8.332 1.133 19792 7725 1 16 . 1 1 13 13 PHE N N 13 122.922 122.922 120.164 2.758 19792 7726 1 16 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.960 -0.248 19792 7727 1 16 . 1 1 13 13 PHE C C 13 170.330 170.330 173.166 -2.836 19792 7728 1 16 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.144 -3.103 19792 7729 1 16 . 1 1 13 13 PHE CB C 13 38.520 38.520 44.030 -5.510 19792 7730 1 16 . 1 1 13 13 PHE H H 13 9.213 9.213 8.757 0.456 19792 7731 1 16 . 1 1 14 14 ILE N N 14 128.128 128.128 123.087 5.041 19792 7732 1 16 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.294 -0.479 19792 7733 1 16 . 1 1 14 14 ILE C C 14 171.441 171.441 174.460 -3.019 19792 7734 1 16 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.796 -4.385 19792 7735 1 16 . 1 1 14 14 ILE CB C 14 36.448 36.448 41.706 -5.258 19792 7736 1 16 . 1 1 14 14 ILE H H 14 8.304 8.304 8.462 -0.158 19792 7737 1 16 . 1 1 15 15 GLY N N 15 110.945 110.945 113.978 -3.033 19792 7738 1 16 . 1 1 15 15 GLY C C 15 170.863 170.863 173.853 -2.990 19792 7739 1 16 . 1 1 15 15 GLY CA C 15 40.913 40.913 45.276 -4.363 19792 7740 1 16 . 1 1 15 15 GLY H H 15 8.965 8.965 9.080 -0.115 19792 7741 1 16 . 1 1 16 16 GLY N N 16 107.025 107.025 110.268 -3.243 19792 7742 1 16 . 1 1 16 16 GLY C C 16 172.134 172.134 173.494 -1.360 19792 7743 1 16 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.449 -2.587 19792 7744 1 16 . 1 1 16 16 GLY H H 16 7.865 7.865 7.994 -0.129 19792 7745 1 16 . 1 1 17 17 LEU N N 17 115.104 115.104 120.142 -5.038 19792 7746 1 16 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.337 -0.425 19792 7747 1 16 . 1 1 17 17 LEU C C 17 176.024 176.024 176.402 -0.378 19792 7748 1 16 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.325 -2.743 19792 7749 1 16 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.075 -1.906 19792 7750 1 16 . 1 1 17 17 LEU H H 17 7.521 7.521 7.849 -0.328 19792 7751 1 16 . 1 1 18 18 ASN N N 18 120.666 120.666 117.270 3.396 19792 7752 1 16 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.673 -0.287 19792 7753 1 16 . 1 1 18 18 ASN C C 18 176.199 176.199 176.304 -0.105 19792 7754 1 16 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.466 -3.164 19792 7755 1 16 . 1 1 18 18 ASN CB C 18 35.692 35.692 40.085 -4.393 19792 7756 1 16 . 1 1 18 18 ASN H H 18 9.528 9.528 8.294 1.234 19792 7757 1 16 . 1 1 19 19 THR N N 19 123.230 123.230 110.659 12.571 19792 7758 1 16 . 1 1 19 19 THR HA H 19 3.699 3.699 4.479 -0.780 19792 7759 1 16 . 1 1 19 19 THR C C 19 172.195 172.195 174.674 -2.479 19792 7760 1 16 . 1 1 19 19 THR CA C 19 62.512 62.512 63.528 -1.016 19792 7761 1 16 . 1 1 19 19 THR CB C 19 65.438 65.438 69.195 -3.757 19792 7762 1 16 . 1 1 19 19 THR H H 19 8.809 8.809 8.399 0.410 19792 7763 1 16 . 1 1 20 20 GLU N N 20 118.055 118.055 121.227 -3.172 19792 7764 1 16 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.578 -0.402 19792 7765 1 16 . 1 1 20 20 GLU C C 20 174.826 174.826 175.831 -1.005 19792 7766 1 16 . 1 1 20 20 GLU CA C 20 53.181 53.181 54.495 -1.314 19792 7767 1 16 . 1 1 20 20 GLU CB C 20 27.076 27.076 28.944 -1.867 19792 7768 1 16 . 1 1 20 20 GLU H H 20 8.703 8.703 8.216 0.487 19792 7769 1 16 . 1 1 21 21 THR N N 21 119.209 119.209 116.418 2.791 19792 7770 1 16 . 1 1 21 21 THR HA H 21 3.930 3.930 4.372 -0.442 19792 7771 1 16 . 1 1 21 21 THR C C 21 171.688 171.688 173.179 -1.491 19792 7772 1 16 . 1 1 21 21 THR CA C 21 61.882 61.882 62.933 -1.051 19792 7773 1 16 . 1 1 21 21 THR CB C 21 65.397 65.397 69.858 -4.461 19792 7774 1 16 . 1 1 21 21 THR H H 21 7.514 7.514 8.059 -0.545 19792 7775 1 16 . 1 1 22 22 ASN N N 22 126.624 126.624 119.178 7.446 19792 7776 1 16 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.937 -0.168 19792 7777 1 16 . 1 1 22 22 ASN C C 22 172.032 172.032 175.886 -3.854 19792 7778 1 16 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.224 -4.518 19792 7779 1 16 . 1 1 22 22 ASN CB C 22 37.373 37.373 41.983 -4.609 19792 7780 1 16 . 1 1 22 22 ASN H H 22 8.031 8.031 8.355 -0.324 19792 7781 1 16 . 1 1 23 23 GLU N N 23 118.056 118.056 122.539 -4.483 19792 7782 1 16 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.853 -0.286 19792 7783 1 16 . 1 1 23 23 GLU CA C 23 58.784 58.784 61.082 -2.298 19792 7784 1 16 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.459 -3.596 19792 7785 1 16 . 1 1 23 23 GLU H H 23 10.151 10.151 8.852 1.299 19792 7786 1 16 . 1 1 24 24 LYS N N 24 118.897 118.897 117.090 1.807 19792 7787 1 16 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.329 -0.324 19792 7788 1 16 . 1 1 24 24 LYS C C 24 176.843 176.843 177.474 -0.631 19792 7789 1 16 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.680 -2.949 19792 7790 1 16 . 1 1 24 24 LYS CB C 24 29.371 29.371 32.033 -2.662 19792 7791 1 16 . 1 1 24 24 LYS H H 24 7.839 7.839 8.399 -0.560 19792 7792 1 16 . 1 1 25 25 ALA N N 25 123.210 123.210 122.056 1.154 19792 7793 1 16 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.210 -0.041 19792 7794 1 16 . 1 1 25 25 ALA C C 25 178.048 178.048 179.951 -1.903 19792 7795 1 16 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.206 -2.337 19792 7796 1 16 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.773 -2.634 19792 7797 1 16 . 1 1 25 25 ALA H H 25 7.827 7.827 7.377 0.450 19792 7798 1 16 . 1 1 26 26 LEU N N 26 116.466 116.466 119.371 -2.905 19792 7799 1 16 . 1 1 26 26 LEU HA H 26 4.024 4.024 3.810 0.214 19792 7800 1 16 . 1 1 26 26 LEU C C 26 176.375 176.375 178.841 -2.466 19792 7801 1 16 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.728 -2.770 19792 7802 1 16 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.554 -1.853 19792 7803 1 16 . 1 1 26 26 LEU H H 26 7.652 7.652 8.042 -0.390 19792 7804 1 16 . 1 1 27 27 GLU N N 27 119.789 119.789 118.966 0.823 19792 7805 1 16 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.903 -0.312 19792 7806 1 16 . 1 1 27 27 GLU C C 27 176.206 176.206 178.831 -2.625 19792 7807 1 16 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.607 -2.535 19792 7808 1 16 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.278 -2.211 19792 7809 1 16 . 1 1 27 27 GLU H H 27 8.480 8.480 8.203 0.277 19792 7810 1 16 . 1 1 28 28 ALA N N 28 120.599 120.599 121.696 -1.097 19792 7811 1 16 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.143 -0.104 19792 7812 1 16 . 1 1 28 28 ALA C C 28 177.506 177.506 179.731 -2.225 19792 7813 1 16 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.919 -3.012 19792 7814 1 16 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.327 -2.920 19792 7815 1 16 . 1 1 28 28 ALA H H 28 7.837 7.837 7.603 0.234 19792 7816 1 16 . 1 1 29 29 VAL N N 29 115.536 115.536 118.051 -2.515 19792 7817 1 16 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.585 0.241 19792 7818 1 16 . 1 1 29 29 VAL C C 29 174.998 174.998 177.768 -2.770 19792 7819 1 16 . 1 1 29 29 VAL CA C 29 61.999 61.999 65.776 -3.777 19792 7820 1 16 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.141 -1.263 19792 7821 1 16 . 1 1 29 29 VAL H H 29 7.626 7.626 7.468 0.158 19792 7822 1 16 . 1 1 30 30 PHE N N 30 115.465 115.465 115.258 0.207 19792 7823 1 16 . 1 1 30 30 PHE HA H 30 4.482 4.482 5.116 -0.634 19792 7824 1 16 . 1 1 30 30 PHE C C 30 174.725 174.725 177.730 -3.005 19792 7825 1 16 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.275 1.353 19792 7826 1 16 . 1 1 30 30 PHE CB C 30 35.394 35.394 39.809 -4.415 19792 7827 1 16 . 1 1 30 30 PHE H H 30 8.514 8.514 7.772 0.742 19792 7828 1 16 . 1 1 31 31 GLY N N 31 108.299 108.299 108.607 -0.308 19792 7829 1 16 . 1 1 31 31 GLY C C 31 172.455 172.455 175.544 -3.089 19792 7830 1 16 . 1 1 31 31 GLY CA C 31 43.505 43.505 46.756 -3.251 19792 7831 1 16 . 1 1 31 31 GLY H H 31 8.294 8.294 8.278 0.016 19792 7832 1 16 . 1 1 32 32 LYS N N 32 117.309 117.309 119.117 -1.808 19792 7833 1 16 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.043 -0.117 19792 7834 1 16 . 1 1 32 32 LYS C C 32 174.779 174.779 175.789 -1.010 19792 7835 1 16 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.637 -2.937 19792 7836 1 16 . 1 1 32 32 LYS CB C 32 28.935 28.935 30.883 -1.948 19792 7837 1 16 . 1 1 32 32 LYS H H 32 6.846 6.846 7.980 -1.134 19792 7838 1 16 . 1 1 33 33 TYR N N 33 115.635 115.635 117.148 -1.513 19792 7839 1 16 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.683 -0.566 19792 7840 1 16 . 1 1 33 33 TYR C C 33 171.935 171.935 174.246 -2.311 19792 7841 1 16 . 1 1 33 33 TYR CA C 33 56.609 56.609 58.169 -1.560 19792 7842 1 16 . 1 1 33 33 TYR CB C 33 35.735 35.735 40.758 -5.022 19792 7843 1 16 . 1 1 33 33 TYR H H 33 7.593 7.593 7.798 -0.205 19792 7844 1 16 . 1 1 34 34 GLY N N 34 104.503 104.503 106.637 -2.134 19792 7845 1 16 . 1 1 34 34 GLY C C 34 168.962 168.962 172.789 -3.827 19792 7846 1 16 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.546 -3.983 19792 7847 1 16 . 1 1 34 34 GLY H H 34 7.253 7.253 7.499 -0.246 19792 7848 1 16 . 1 1 35 35 ARG N N 35 116.679 116.679 121.962 -5.283 19792 7849 1 16 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.858 -0.743 19792 7850 1 16 . 1 1 35 35 ARG C C 35 174.272 174.272 175.089 -0.817 19792 7851 1 16 . 1 1 35 35 ARG CA C 35 54.785 54.785 54.836 -0.051 19792 7852 1 16 . 1 1 35 35 ARG CB C 35 27.958 27.958 31.857 -3.899 19792 7853 1 16 . 1 1 35 35 ARG H H 35 8.196 8.196 9.376 -1.180 19792 7854 1 16 . 1 1 36 36 ILE N N 36 128.885 128.885 126.340 2.545 19792 7855 1 16 . 1 1 36 36 ILE HA H 36 3.827 3.827 3.739 0.088 19792 7856 1 16 . 1 1 36 36 ILE C C 36 173.725 173.725 175.709 -1.984 19792 7857 1 16 . 1 1 36 36 ILE CA C 36 57.740 57.740 63.114 -5.374 19792 7858 1 16 . 1 1 36 36 ILE CB C 36 37.006 37.006 38.562 -1.556 19792 7859 1 16 . 1 1 36 36 ILE H H 36 8.760 8.760 8.759 0.001 19792 7860 1 16 . 1 1 37 37 VAL N N 37 122.612 122.612 123.898 -1.286 19792 7861 1 16 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.332 -0.249 19792 7862 1 16 . 1 1 37 37 VAL C C 37 172.917 172.917 174.472 -1.555 19792 7863 1 16 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.721 -2.375 19792 7864 1 16 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.694 -3.319 19792 7865 1 16 . 1 1 37 37 VAL H H 37 8.751 8.751 8.842 -0.091 19792 7866 1 16 . 1 1 38 38 GLU N N 38 118.683 118.683 119.219 -0.536 19792 7867 1 16 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.637 -0.269 19792 7868 1 16 . 1 1 38 38 GLU C C 38 170.647 170.647 173.807 -3.160 19792 7869 1 16 . 1 1 38 38 GLU CA C 38 53.636 53.636 54.992 -1.357 19792 7870 1 16 . 1 1 38 38 GLU CB C 38 31.112 31.112 34.099 -2.987 19792 7871 1 16 . 1 1 38 38 GLU H H 38 7.075 7.075 7.635 -0.560 19792 7872 1 16 . 1 1 39 39 VAL N N 39 125.880 125.880 121.322 4.558 19792 7873 1 16 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.548 -0.229 19792 7874 1 16 . 1 1 39 39 VAL C C 39 170.693 170.693 174.810 -4.117 19792 7875 1 16 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.917 -2.861 19792 7876 1 16 . 1 1 39 39 VAL CB C 39 31.077 31.077 34.680 -3.603 19792 7877 1 16 . 1 1 39 39 VAL H H 39 8.509 8.509 8.511 -0.002 19792 7878 1 16 . 1 1 40 40 LEU N N 40 129.331 129.331 128.737 0.594 19792 7879 1 16 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.738 -0.063 19792 7880 1 16 . 1 1 40 40 LEU C C 40 171.627 171.627 174.493 -2.866 19792 7881 1 16 . 1 1 40 40 LEU CA C 40 50.744 50.744 53.594 -2.850 19792 7882 1 16 . 1 1 40 40 LEU CB C 40 42.066 42.066 44.327 -2.261 19792 7883 1 16 . 1 1 40 40 LEU H H 40 8.928 8.928 9.048 -0.120 19792 7884 1 16 . 1 1 41 41 LEU N N 41 128.574 128.574 126.938 1.636 19792 7885 1 16 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.348 -0.008 19792 7886 1 16 . 1 1 41 41 LEU C C 41 172.935 172.935 176.098 -3.163 19792 7887 1 16 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.412 -3.536 19792 7888 1 16 . 1 1 41 41 LEU CB C 41 41.547 41.547 42.816 -1.269 19792 7889 1 16 . 1 1 41 41 LEU H H 41 9.023 9.023 8.374 0.649 19792 7890 1 16 . 1 1 42 42 MET N N 42 125.617 125.617 126.561 -0.944 19792 7891 1 16 . 1 1 42 42 MET HA H 42 4.357 4.357 4.376 -0.019 19792 7892 1 16 . 1 1 42 42 MET C C 42 172.606 172.606 175.540 -2.934 19792 7893 1 16 . 1 1 42 42 MET CA C 42 51.857 51.857 54.460 -2.603 19792 7894 1 16 . 1 1 42 42 MET CB C 42 27.700 27.700 32.088 -4.388 19792 7895 1 16 . 1 1 42 42 MET H H 42 7.988 7.988 7.834 0.154 19792 7896 1 16 . 1 1 43 43 LYS N N 43 121.956 121.956 121.641 0.315 19792 7897 1 16 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.779 -0.020 19792 7898 1 16 . 1 1 43 43 LYS C C 43 173.591 173.591 175.073 -1.482 19792 7899 1 16 . 1 1 43 43 LYS CA C 43 51.608 51.608 54.872 -3.264 19792 7900 1 16 . 1 1 43 43 LYS CB C 43 33.447 33.447 36.491 -3.044 19792 7901 1 16 . 1 1 43 43 LYS H H 43 8.289 8.289 8.051 0.238 19792 7902 1 16 . 1 1 44 44 ASP N N 44 123.608 123.608 121.088 2.520 19792 7903 1 16 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.845 -0.374 19792 7904 1 16 . 1 1 44 44 ASP C C 44 174.790 174.790 176.105 -1.315 19792 7905 1 16 . 1 1 44 44 ASP CA C 44 51.279 51.279 53.602 -2.322 19792 7906 1 16 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.536 -2.359 19792 7907 1 16 . 1 1 44 44 ASP H H 44 8.693 8.693 8.840 -0.147 19792 7908 1 16 . 1 1 45 45 ARG N N 45 126.884 126.884 118.547 8.337 19792 7909 1 16 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.498 -0.522 19792 7910 1 16 . 1 1 45 45 ARG C C 45 174.578 174.578 177.123 -2.545 19792 7911 1 16 . 1 1 45 45 ARG CA C 45 55.637 55.637 56.333 -0.696 19792 7912 1 16 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.205 -2.661 19792 7913 1 16 . 1 1 45 45 ARG H H 45 8.875 8.875 8.609 0.266 19792 7914 1 16 . 1 1 46 46 GLU N N 46 117.313 117.313 121.734 -4.421 19792 7915 1 16 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.149 0.033 19792 7916 1 16 . 1 1 46 46 GLU C C 46 175.625 175.625 177.314 -1.689 19792 7917 1 16 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.667 -3.039 19792 7918 1 16 . 1 1 46 46 GLU CB C 46 27.597 27.597 30.016 -2.419 19792 7919 1 16 . 1 1 46 46 GLU H H 46 8.561 8.561 8.335 0.226 19792 7920 1 16 . 1 1 47 47 THR N N 47 107.019 107.019 110.377 -3.358 19792 7921 1 16 . 1 1 47 47 THR HA H 47 4.277 4.277 4.387 -0.110 19792 7922 1 16 . 1 1 47 47 THR C C 47 173.242 173.242 173.202 0.040 19792 7923 1 16 . 1 1 47 47 THR CA C 47 58.709 58.709 61.922 -3.213 19792 7924 1 16 . 1 1 47 47 THR CB C 47 67.971 67.971 68.321 -0.350 19792 7925 1 16 . 1 1 47 47 THR H H 47 8.053 8.053 8.040 0.013 19792 7926 1 16 . 1 1 48 48 ASN N N 48 117.468 117.468 116.118 1.350 19792 7927 1 16 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.296 0.039 19792 7928 1 16 . 1 1 48 48 ASN C C 48 171.106 171.106 174.520 -3.414 19792 7929 1 16 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.483 -2.353 19792 7930 1 16 . 1 1 48 48 ASN CB C 48 35.645 35.645 37.287 -1.642 19792 7931 1 16 . 1 1 48 48 ASN H H 48 8.230 8.230 8.568 -0.338 19792 7932 1 16 . 1 1 49 49 LYS N N 49 117.523 117.523 118.600 -1.077 19792 7933 1 16 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.083 0.213 19792 7934 1 16 . 1 1 49 49 LYS C C 49 173.910 173.910 177.491 -3.581 19792 7935 1 16 . 1 1 49 49 LYS CA C 49 52.763 52.763 57.323 -4.560 19792 7936 1 16 . 1 1 49 49 LYS CB C 49 31.039 31.039 32.972 -1.933 19792 7937 1 16 . 1 1 49 49 LYS H H 49 7.517 7.517 7.865 -0.348 19792 7938 1 16 . 1 1 50 50 SER N N 50 115.960 115.960 117.231 -1.271 19792 7939 1 16 . 1 1 50 50 SER HA H 50 4.197 4.197 4.389 -0.192 19792 7940 1 16 . 1 1 50 50 SER C C 50 173.417 173.417 175.029 -1.612 19792 7941 1 16 . 1 1 50 50 SER CA C 50 55.614 55.614 58.891 -3.277 19792 7942 1 16 . 1 1 50 50 SER CB C 50 61.524 61.524 63.692 -2.168 19792 7943 1 16 . 1 1 50 50 SER H H 50 8.705 8.705 8.314 0.391 19792 7944 1 16 . 1 1 51 51 ARG N N 51 124.058 124.058 121.390 2.668 19792 7945 1 16 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.671 -0.363 19792 7946 1 16 . 1 1 51 51 ARG C C 51 174.657 174.657 177.745 -3.088 19792 7947 1 16 . 1 1 51 51 ARG CA C 51 53.393 53.393 54.273 -0.880 19792 7948 1 16 . 1 1 51 51 ARG CB C 51 28.779 28.779 31.418 -2.639 19792 7949 1 16 . 1 1 51 51 ARG H H 51 9.023 9.023 8.491 0.532 19792 7950 1 16 . 1 1 52 52 GLY N N 52 106.703 106.703 109.761 -3.058 19792 7951 1 16 . 1 1 52 52 GLY C C 52 168.863 168.863 173.641 -4.778 19792 7952 1 16 . 1 1 52 52 GLY CA C 52 42.919 42.919 45.370 -2.450 19792 7953 1 16 . 1 1 52 52 GLY H H 52 9.129 9.129 8.982 0.147 19792 7954 1 16 . 1 1 53 53 PHE N N 53 112.307 112.307 117.549 -5.242 19792 7955 1 16 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.478 -0.235 19792 7956 1 16 . 1 1 53 53 PHE C C 53 169.552 169.552 172.680 -3.128 19792 7957 1 16 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.258 -2.163 19792 7958 1 16 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.188 -2.274 19792 7959 1 16 . 1 1 53 53 PHE H H 53 6.845 6.845 7.537 -0.692 19792 7960 1 16 . 1 1 54 54 ALA N N 54 120.987 120.987 123.208 -2.221 19792 7961 1 16 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.878 0.016 19792 7962 1 16 . 1 1 54 54 ALA C C 54 171.062 171.062 174.334 -3.272 19792 7963 1 16 . 1 1 54 54 ALA CA C 54 47.049 47.049 50.782 -3.733 19792 7964 1 16 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.765 0.062 19792 7965 1 16 . 1 1 54 54 ALA H H 54 8.970 8.970 8.819 0.151 19792 7966 1 16 . 1 1 55 55 PHE N N 55 114.157 114.157 118.867 -4.710 19792 7967 1 16 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.729 1.039 19792 7968 1 16 . 1 1 55 55 PHE C C 55 173.605 173.605 172.702 0.903 19792 7969 1 16 . 1 1 55 55 PHE CA C 55 53.080 53.080 57.394 -4.314 19792 7970 1 16 . 1 1 55 55 PHE CB C 55 40.029 40.029 43.028 -2.998 19792 7971 1 16 . 1 1 55 55 PHE H H 55 8.837 8.837 8.137 0.700 19792 7972 1 16 . 1 1 56 56 VAL N N 56 123.812 123.812 117.089 6.723 19792 7973 1 16 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.509 -0.035 19792 7974 1 16 . 1 1 56 56 VAL C C 56 171.401 171.401 173.160 -1.759 19792 7975 1 16 . 1 1 56 56 VAL CA C 56 57.848 57.848 59.462 -1.614 19792 7976 1 16 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.161 -2.634 19792 7977 1 16 . 1 1 56 56 VAL H H 56 8.558 8.558 7.116 1.442 19792 7978 1 16 . 1 1 57 57 THR N N 57 123.000 123.000 118.935 4.065 19792 7979 1 16 . 1 1 57 57 THR HA H 57 4.974 4.974 4.488 0.486 19792 7980 1 16 . 1 1 57 57 THR C C 57 171.340 171.340 173.591 -2.251 19792 7981 1 16 . 1 1 57 57 THR CA C 57 58.659 58.659 61.471 -2.812 19792 7982 1 16 . 1 1 57 57 THR CB C 57 66.662 66.662 69.284 -2.622 19792 7983 1 16 . 1 1 57 57 THR H H 57 8.808 8.808 8.244 0.564 19792 7984 1 16 . 1 1 58 58 PHE N N 58 128.385 128.385 125.251 3.134 19792 7985 1 16 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.450 0.233 19792 7986 1 16 . 1 1 58 58 PHE C C 58 172.367 172.367 176.852 -4.485 19792 7987 1 16 . 1 1 58 58 PHE CA C 58 55.449 55.449 58.546 -3.097 19792 7988 1 16 . 1 1 58 58 PHE CB C 58 37.909 37.909 39.567 -1.658 19792 7989 1 16 . 1 1 58 58 PHE H H 58 8.835 8.835 9.079 -0.244 19792 7990 1 16 . 1 1 59 59 GLU N N 59 121.627 121.627 121.044 0.583 19792 7991 1 16 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.152 -0.386 19792 7992 1 16 . 1 1 59 59 GLU C C 59 173.666 173.666 176.728 -3.062 19792 7993 1 16 . 1 1 59 59 GLU CA C 59 56.293 56.293 58.577 -2.284 19792 7994 1 16 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.536 -2.749 19792 7995 1 16 . 1 1 59 59 GLU H H 59 8.067 8.067 8.816 -0.749 19792 7996 1 16 . 1 1 60 60 SER N N 60 112.302 112.302 112.480 -0.178 19792 7997 1 16 . 1 1 60 60 SER HA H 60 5.163 5.163 4.754 0.409 19792 7998 1 16 . 1 1 60 60 SER CA C 60 50.137 50.137 56.177 -6.040 19792 7999 1 16 . 1 1 60 60 SER CB C 60 61.350 61.350 64.354 -3.004 19792 8000 1 16 . 1 1 60 60 SER H H 60 9.333 9.333 7.901 1.432 19792 8001 1 16 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.409 -0.411 19792 8002 1 16 . 1 1 61 61 PRO CA C 61 61.850 61.850 64.922 -3.072 19792 8003 1 16 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.117 -2.726 19792 8004 1 16 . 1 1 62 62 ALA N N 62 121.088 121.088 118.460 2.628 19792 8005 1 16 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.110 -0.178 19792 8006 1 16 . 1 1 62 62 ALA C C 62 176.826 176.826 178.165 -1.339 19792 8007 1 16 . 1 1 62 62 ALA CA C 62 52.266 52.266 53.751 -1.485 19792 8008 1 16 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.281 -2.663 19792 8009 1 16 . 1 1 62 62 ALA H H 62 7.821 7.821 8.284 -0.463 19792 8010 1 16 . 1 1 63 63 ASP N N 63 120.099 120.099 117.119 2.980 19792 8011 1 16 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.381 -0.289 19792 8012 1 16 . 1 1 63 63 ASP C C 63 174.505 174.505 177.326 -2.821 19792 8013 1 16 . 1 1 63 63 ASP CA C 63 53.809 53.809 56.739 -2.930 19792 8014 1 16 . 1 1 63 63 ASP CB C 63 37.374 37.374 39.875 -2.501 19792 8015 1 16 . 1 1 63 63 ASP H H 63 6.960 6.960 8.393 -1.433 19792 8016 1 16 . 1 1 64 64 ALA N N 64 119.533 119.533 123.313 -3.780 19792 8017 1 16 . 1 1 64 64 ALA HA H 64 3.141 3.141 2.993 0.148 19792 8018 1 16 . 1 1 64 64 ALA C C 64 176.037 176.037 179.141 -3.104 19792 8019 1 16 . 1 1 64 64 ALA CA C 64 51.399 51.399 54.730 -3.330 19792 8020 1 16 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.570 -3.005 19792 8021 1 16 . 1 1 64 64 ALA H H 64 6.771 6.771 7.399 -0.628 19792 8022 1 16 . 1 1 65 65 LYS N N 65 117.395 117.395 116.234 1.161 19792 8023 1 16 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.933 -0.206 19792 8024 1 16 . 1 1 65 65 LYS C C 65 176.716 176.716 177.342 -0.626 19792 8025 1 16 . 1 1 65 65 LYS CA C 65 56.684 56.684 58.935 -2.251 19792 8026 1 16 . 1 1 65 65 LYS CB C 65 29.183 29.183 31.956 -2.773 19792 8027 1 16 . 1 1 65 65 LYS H H 65 7.478 7.478 8.082 -0.604 19792 8028 1 16 . 1 1 66 66 ASP N N 66 120.839 120.839 119.479 1.360 19792 8029 1 16 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.476 -0.293 19792 8030 1 16 . 1 1 66 66 ASP C C 66 175.111 175.111 178.288 -3.177 19792 8031 1 16 . 1 1 66 66 ASP CA C 66 54.430 54.430 56.556 -2.126 19792 8032 1 16 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.954 -3.234 19792 8033 1 16 . 1 1 66 66 ASP H H 66 7.403 7.403 7.451 -0.048 19792 8034 1 16 . 1 1 67 67 ALA N N 67 122.056 122.056 122.755 -0.699 19792 8035 1 16 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.516 -1.356 19792 8036 1 16 . 1 1 67 67 ALA C C 67 176.448 176.448 178.698 -2.250 19792 8037 1 16 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.831 -3.532 19792 8038 1 16 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.036 -0.783 19792 8039 1 16 . 1 1 67 67 ALA H H 67 7.737 7.737 7.647 0.090 19792 8040 1 16 . 1 1 68 68 ALA N N 68 118.624 118.624 116.943 1.681 19792 8041 1 16 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.064 -0.365 19792 8042 1 16 . 1 1 68 68 ALA C C 68 176.619 176.619 177.569 -0.950 19792 8043 1 16 . 1 1 68 68 ALA CA C 68 52.280 52.280 53.093 -0.812 19792 8044 1 16 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.316 -3.467 19792 8045 1 16 . 1 1 68 68 ALA H H 68 8.108 8.108 7.647 0.461 19792 8046 1 16 . 1 1 69 69 ARG N N 69 116.265 116.265 116.509 -0.244 19792 8047 1 16 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.435 -0.503 19792 8048 1 16 . 1 1 69 69 ARG C C 69 175.857 175.857 175.745 0.112 19792 8049 1 16 . 1 1 69 69 ARG CA C 69 55.734 55.734 56.520 -0.786 19792 8050 1 16 . 1 1 69 69 ARG CB C 69 27.249 27.249 31.231 -3.982 19792 8051 1 16 . 1 1 69 69 ARG H H 69 7.599 7.599 7.458 0.141 19792 8052 1 16 . 1 1 70 70 ASP N N 70 116.202 116.202 120.099 -3.897 19792 8053 1 16 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.668 -0.113 19792 8054 1 16 . 1 1 70 70 ASP C C 70 174.867 174.867 176.552 -1.685 19792 8055 1 16 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.487 -2.173 19792 8056 1 16 . 1 1 70 70 ASP CB C 70 39.839 39.839 43.123 -3.284 19792 8057 1 16 . 1 1 70 70 ASP H H 70 7.657 7.657 7.671 -0.014 19792 8058 1 16 . 1 1 71 71 MET N N 71 111.561 111.561 118.261 -6.700 19792 8059 1 16 . 1 1 71 71 MET HA H 71 4.742 4.742 4.481 0.261 19792 8060 1 16 . 1 1 71 71 MET C C 71 175.174 175.174 175.483 -0.309 19792 8061 1 16 . 1 1 71 71 MET CA C 71 50.378 50.378 56.308 -5.930 19792 8062 1 16 . 1 1 71 71 MET CB C 71 29.047 29.047 33.632 -4.585 19792 8063 1 16 . 1 1 71 71 MET H H 71 8.069 8.069 7.597 0.472 19792 8064 1 16 . 1 1 72 72 ASN N N 72 116.196 116.196 117.316 -1.120 19792 8065 1 16 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.658 -0.377 19792 8066 1 16 . 1 1 72 72 ASN C C 72 173.812 173.812 177.450 -3.638 19792 8067 1 16 . 1 1 72 72 ASN CA C 72 53.826 53.826 54.100 -0.274 19792 8068 1 16 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.438 -2.553 19792 8069 1 16 . 1 1 72 72 ASN H H 72 7.442 7.442 7.567 -0.125 19792 8070 1 16 . 1 1 73 73 GLY N N 73 116.956 116.956 109.359 7.597 19792 8071 1 16 . 1 1 73 73 GLY C C 73 171.629 171.629 174.454 -2.825 19792 8072 1 16 . 1 1 73 73 GLY CA C 73 43.091 43.091 46.478 -3.387 19792 8073 1 16 . 1 1 73 73 GLY H H 73 8.884 8.884 9.035 -0.151 19792 8074 1 16 . 1 1 74 74 LYS N N 74 120.829 120.829 119.679 1.150 19792 8075 1 16 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.357 -0.117 19792 8076 1 16 . 1 1 74 74 LYS C C 74 172.132 172.132 175.229 -3.097 19792 8077 1 16 . 1 1 74 74 LYS CA C 74 52.333 52.333 56.036 -3.703 19792 8078 1 16 . 1 1 74 74 LYS CB C 74 30.131 30.131 33.444 -3.313 19792 8079 1 16 . 1 1 74 74 LYS H H 74 7.797 7.797 7.698 0.099 19792 8080 1 16 . 1 1 75 75 SER N N 75 112.883 112.883 114.139 -1.256 19792 8081 1 16 . 1 1 75 75 SER HA H 75 4.940 4.940 5.179 -0.239 19792 8082 1 16 . 1 1 75 75 SER C C 75 171.838 171.838 173.619 -1.781 19792 8083 1 16 . 1 1 75 75 SER CA C 75 54.722 54.722 57.460 -2.738 19792 8084 1 16 . 1 1 75 75 SER CB C 75 61.242 61.242 64.668 -3.425 19792 8085 1 16 . 1 1 75 75 SER H H 75 8.037 8.037 8.228 -0.191 19792 8086 1 16 . 1 1 76 76 LEU N N 76 127.669 127.669 124.430 3.239 19792 8087 1 16 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.701 -0.265 19792 8088 1 16 . 1 1 76 76 LEU C C 76 173.849 173.849 175.952 -2.103 19792 8089 1 16 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.087 -3.312 19792 8090 1 16 . 1 1 76 76 LEU CB C 76 41.886 41.886 44.742 -2.856 19792 8091 1 16 . 1 1 76 76 LEU H H 76 8.988 8.988 8.693 0.295 19792 8092 1 16 . 1 1 77 77 ASP N N 77 129.054 129.054 127.771 1.283 19792 8093 1 16 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.293 -0.119 19792 8094 1 16 . 1 1 77 77 ASP C C 77 173.415 173.415 176.223 -2.808 19792 8095 1 16 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.136 -2.260 19792 8096 1 16 . 1 1 77 77 ASP CB C 77 36.413 36.413 40.314 -3.901 19792 8097 1 16 . 1 1 77 77 ASP H H 77 9.523 9.523 9.171 0.352 19792 8098 1 16 . 1 1 78 78 GLY N N 78 101.915 101.915 104.022 -2.107 19792 8099 1 16 . 1 1 78 78 GLY C C 78 170.989 170.989 173.867 -2.878 19792 8100 1 16 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.047 -2.278 19792 8101 1 16 . 1 1 78 78 GLY H H 78 8.396 8.396 8.091 0.305 19792 8102 1 16 . 1 1 79 79 LYS N N 79 119.791 119.791 121.463 -1.672 19792 8103 1 16 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.666 -0.120 19792 8104 1 16 . 1 1 79 79 LYS C C 79 171.513 171.513 175.296 -3.783 19792 8105 1 16 . 1 1 79 79 LYS CA C 79 50.277 50.277 53.855 -3.578 19792 8106 1 16 . 1 1 79 79 LYS CB C 79 31.955 31.955 33.920 -1.965 19792 8107 1 16 . 1 1 79 79 LYS H H 79 7.269 7.269 7.816 -0.547 19792 8108 1 16 . 1 1 80 80 ALA N N 80 125.002 125.002 128.574 -3.572 19792 8109 1 16 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.504 -0.139 19792 8110 1 16 . 1 1 80 80 ALA C C 80 175.007 175.007 177.165 -2.158 19792 8111 1 16 . 1 1 80 80 ALA CA C 80 48.381 48.381 52.512 -4.131 19792 8112 1 16 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.975 -3.760 19792 8113 1 16 . 1 1 80 80 ALA H H 80 8.235 8.235 8.824 -0.589 19792 8114 1 16 . 1 1 81 81 ILE N N 81 119.947 119.947 119.666 0.281 19792 8115 1 16 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.607 0.007 19792 8116 1 16 . 1 1 81 81 ILE C C 81 172.389 172.389 174.142 -1.753 19792 8117 1 16 . 1 1 81 81 ILE CA C 81 57.921 57.921 59.898 -1.977 19792 8118 1 16 . 1 1 81 81 ILE CB C 81 37.547 37.547 40.775 -3.228 19792 8119 1 16 . 1 1 81 81 ILE H H 81 8.204 8.204 8.742 -0.538 19792 8120 1 16 . 1 1 82 82 LYS N N 82 123.700 123.700 123.189 0.511 19792 8121 1 16 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.648 0.198 19792 8122 1 16 . 1 1 82 82 LYS C C 82 172.571 172.571 175.108 -2.537 19792 8123 1 16 . 1 1 82 82 LYS CA C 82 51.341 51.341 54.856 -3.515 19792 8124 1 16 . 1 1 82 82 LYS CB C 82 31.948 31.948 32.930 -0.982 19792 8125 1 16 . 1 1 82 82 LYS H H 82 8.460 8.460 8.718 -0.258 19792 8126 1 16 . 1 1 83 83 VAL N N 83 123.707 123.707 125.631 -1.924 19792 8127 1 16 . 1 1 83 83 VAL HA H 83 5.068 5.068 4.563 0.505 19792 8128 1 16 . 1 1 83 83 VAL C C 83 171.831 171.831 176.309 -4.478 19792 8129 1 16 . 1 1 83 83 VAL CA C 83 57.954 57.954 62.835 -4.881 19792 8130 1 16 . 1 1 83 83 VAL CB C 83 31.979 31.979 31.835 0.144 19792 8131 1 16 . 1 1 83 83 VAL H H 83 8.653 8.653 8.716 -0.063 19792 8132 1 16 . 1 1 84 84 GLU N N 84 123.150 123.150 126.499 -3.349 19792 8133 1 16 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.816 -0.132 19792 8134 1 16 . 1 1 84 84 GLU C C 84 172.141 172.141 174.811 -2.670 19792 8135 1 16 . 1 1 84 84 GLU CA C 84 51.305 51.305 54.306 -3.001 19792 8136 1 16 . 1 1 84 84 GLU CB C 84 31.690 31.690 33.944 -2.254 19792 8137 1 16 . 1 1 84 84 GLU H H 84 8.977 8.977 9.206 -0.229 19792 8138 1 16 . 1 1 85 85 GLN N N 85 121.740 121.740 118.921 2.819 19792 8139 1 16 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.656 -0.407 19792 8140 1 16 . 1 1 85 85 GLN C C 85 173.263 173.263 175.082 -1.819 19792 8141 1 16 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.386 -0.129 19792 8142 1 16 . 1 1 85 85 GLN CB C 85 26.519 26.519 29.015 -2.496 19792 8143 1 16 . 1 1 85 85 GLN H H 85 8.835 8.835 8.793 0.042 19792 8144 1 16 . 1 1 86 86 ALA N N 86 127.885 127.885 128.487 -0.602 19792 8145 1 16 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.299 0.135 19792 8146 1 16 . 1 1 86 86 ALA C C 86 174.487 174.487 176.795 -2.308 19792 8147 1 16 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.872 -2.856 19792 8148 1 16 . 1 1 86 86 ALA CB C 86 16.340 16.340 17.624 -1.284 19792 8149 1 16 . 1 1 86 86 ALA H H 86 8.608 8.608 8.924 -0.316 19792 8150 1 16 . 1 1 87 87 THR N N 87 113.372 113.372 115.454 -2.082 19792 8151 1 16 . 1 1 87 87 THR HA H 87 4.339 4.339 4.516 -0.177 19792 8152 1 16 . 1 1 87 87 THR C C 87 171.331 171.331 173.093 -1.762 19792 8153 1 16 . 1 1 87 87 THR CA C 87 58.219 58.219 61.375 -3.156 19792 8154 1 16 . 1 1 87 87 THR CB C 87 67.397 67.397 69.728 -2.331 19792 8155 1 16 . 1 1 87 87 THR H H 87 8.271 8.271 8.291 -0.020 19792 8156 1 16 . 1 1 88 88 LYS N N 88 123.502 123.502 120.687 2.815 19792 8157 1 16 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.835 -0.362 19792 8158 1 16 . 1 1 88 88 LYS CA C 88 51.611 51.611 54.533 -2.922 19792 8159 1 16 . 1 1 88 88 LYS CB C 88 29.867 29.867 33.062 -3.195 19792 8160 1 16 . 1 1 88 88 LYS H H 88 8.203 8.203 8.129 0.074 19792 8161 1 16 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.459 -0.265 19792 8162 1 16 . 1 1 89 89 PRO C C 89 173.726 173.726 176.520 -2.794 19792 8163 1 16 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.993 -3.923 19792 8164 1 16 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.138 -2.823 19792 8165 1 16 . 1 1 90 90 SER N N 90 115.260 115.260 113.170 2.090 19792 8166 1 16 . 1 1 90 90 SER HA H 90 4.229 4.229 4.618 -0.389 19792 8167 1 16 . 1 1 90 90 SER C C 90 171.123 171.123 173.016 -1.893 19792 8168 1 16 . 1 1 90 90 SER CA C 90 55.017 55.017 57.339 -2.322 19792 8169 1 16 . 1 1 90 90 SER CB C 90 60.977 60.977 65.223 -4.246 19792 8170 1 16 . 1 1 90 90 SER H H 90 7.991 7.991 7.720 0.271 19792 8171 1 16 . 1 1 91 91 PHE N N 91 121.128 121.128 120.615 0.513 19792 8172 1 16 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.813 -0.286 19792 8173 1 16 . 1 1 91 91 PHE C C 91 171.798 171.798 175.170 -3.372 19792 8174 1 16 . 1 1 91 91 PHE CA C 91 54.467 54.467 56.926 -2.459 19792 8175 1 16 . 1 1 91 91 PHE CB C 91 37.008 37.008 40.975 -3.967 19792 8176 1 16 . 1 1 91 91 PHE H H 91 8.004 8.004 8.467 -0.463 19792 8177 1 17 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.963 -0.367 19792 8178 1 17 . 1 1 2 2 HIS C C 2 171.930 171.930 173.815 -1.885 19792 8179 1 17 . 1 1 2 2 HIS CA C 2 52.879 52.879 55.098 -2.219 19792 8180 1 17 . 1 1 2 2 HIS CB C 2 27.693 27.693 31.797 -4.104 19792 8181 1 17 . 1 1 3 3 MET N N 3 122.778 122.778 120.926 1.852 19792 8182 1 17 . 1 1 3 3 MET HA H 3 4.365 4.365 4.777 -0.412 19792 8183 1 17 . 1 1 3 3 MET C C 3 173.051 173.051 175.029 -1.978 19792 8184 1 17 . 1 1 3 3 MET CA C 3 52.457 52.457 55.226 -2.769 19792 8185 1 17 . 1 1 3 3 MET CB C 3 30.267 30.267 34.547 -4.280 19792 8186 1 17 . 1 1 3 3 MET H H 3 8.407 8.407 8.585 -0.178 19792 8187 1 17 . 1 1 4 4 VAL N N 4 121.985 121.985 123.827 -1.842 19792 8188 1 17 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.314 -0.322 19792 8189 1 17 . 1 1 4 4 VAL C C 4 173.161 173.161 174.937 -1.776 19792 8190 1 17 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.405 -3.216 19792 8191 1 17 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.027 -1.714 19792 8192 1 17 . 1 1 4 4 VAL H H 4 8.170 8.170 8.649 -0.479 19792 8193 1 17 . 1 1 5 5 GLU N N 5 124.990 124.990 124.787 0.203 19792 8194 1 17 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.671 -0.509 19792 8195 1 17 . 1 1 5 5 GLU C C 5 173.208 173.208 175.455 -2.247 19792 8196 1 17 . 1 1 5 5 GLU CA C 5 53.271 53.271 56.382 -3.111 19792 8197 1 17 . 1 1 5 5 GLU CB C 5 27.861 27.861 30.119 -2.257 19792 8198 1 17 . 1 1 5 5 GLU H H 5 8.469 8.469 8.571 -0.102 19792 8199 1 17 . 1 1 6 6 ALA N N 6 124.750 124.750 126.313 -1.563 19792 8200 1 17 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.515 -0.380 19792 8201 1 17 . 1 1 6 6 ALA C C 6 174.516 174.516 177.126 -2.610 19792 8202 1 17 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.417 -1.846 19792 8203 1 17 . 1 1 6 6 ALA CB C 6 16.604 16.604 20.545 -3.941 19792 8204 1 17 . 1 1 6 6 ALA H H 6 8.229 8.229 8.092 0.137 19792 8205 1 17 . 1 1 7 7 ASP N N 7 119.477 119.477 118.781 0.696 19792 8206 1 17 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.525 -0.095 19792 8207 1 17 . 1 1 7 7 ASP C C 7 173.005 173.005 175.253 -2.248 19792 8208 1 17 . 1 1 7 7 ASP CA C 7 51.032 51.032 53.995 -2.963 19792 8209 1 17 . 1 1 7 7 ASP CB C 7 38.658 38.658 40.142 -1.484 19792 8210 1 17 . 1 1 7 7 ASP H H 7 8.172 8.172 8.328 -0.156 19792 8211 1 17 . 1 1 8 8 ARG N N 8 121.454 121.454 120.902 0.552 19792 8212 1 17 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.796 -0.693 19792 8213 1 17 . 1 1 8 8 ARG CA C 8 54.708 54.708 53.641 1.067 19792 8214 1 17 . 1 1 8 8 ARG CB C 8 27.813 27.813 31.033 -3.220 19792 8215 1 17 . 1 1 8 8 ARG H H 8 8.168 8.168 7.514 0.654 19792 8216 1 17 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.536 -0.123 19792 8217 1 17 . 1 1 9 9 PRO C C 9 174.662 174.662 177.126 -2.464 19792 8218 1 17 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.763 -1.957 19792 8219 1 17 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.057 -0.586 19792 8220 1 17 . 1 1 10 10 GLY N N 10 108.287 108.287 110.442 -2.155 19792 8221 1 17 . 1 1 10 10 GLY C C 10 169.715 169.715 174.311 -4.596 19792 8222 1 17 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.557 -3.028 19792 8223 1 17 . 1 1 10 10 GLY H H 10 8.769 8.769 8.211 0.558 19792 8224 1 17 . 1 1 11 11 LYS N N 11 122.177 122.177 119.074 3.103 19792 8225 1 17 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.211 0.653 19792 8226 1 17 . 1 1 11 11 LYS C C 11 172.419 172.419 175.975 -3.556 19792 8227 1 17 . 1 1 11 11 LYS CA C 11 53.417 53.417 56.969 -3.552 19792 8228 1 17 . 1 1 11 11 LYS CB C 11 32.058 32.058 33.265 -1.207 19792 8229 1 17 . 1 1 11 11 LYS H H 11 7.753 7.753 7.860 -0.107 19792 8230 1 17 . 1 1 12 12 LEU N N 12 127.116 127.116 122.154 4.962 19792 8231 1 17 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.740 0.199 19792 8232 1 17 . 1 1 12 12 LEU C C 12 173.185 173.185 175.700 -2.515 19792 8233 1 17 . 1 1 12 12 LEU CA C 12 50.301 50.301 52.226 -1.925 19792 8234 1 17 . 1 1 12 12 LEU CB C 12 42.075 42.075 45.737 -3.662 19792 8235 1 17 . 1 1 12 12 LEU H H 12 9.465 9.465 7.472 1.993 19792 8236 1 17 . 1 1 13 13 PHE N N 13 122.922 122.922 119.194 3.728 19792 8237 1 17 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.903 -0.191 19792 8238 1 17 . 1 1 13 13 PHE C C 13 170.330 170.330 173.475 -3.145 19792 8239 1 17 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.169 -3.128 19792 8240 1 17 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.267 -4.747 19792 8241 1 17 . 1 1 13 13 PHE H H 13 9.213 9.213 8.438 0.775 19792 8242 1 17 . 1 1 14 14 ILE N N 14 128.128 128.128 124.693 3.435 19792 8243 1 17 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.495 -0.680 19792 8244 1 17 . 1 1 14 14 ILE C C 14 171.441 171.441 174.888 -3.447 19792 8245 1 17 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.681 -4.270 19792 8246 1 17 . 1 1 14 14 ILE CB C 14 36.448 36.448 41.914 -5.466 19792 8247 1 17 . 1 1 14 14 ILE H H 14 8.304 8.304 8.044 0.260 19792 8248 1 17 . 1 1 15 15 GLY N N 15 110.945 110.945 111.747 -0.802 19792 8249 1 17 . 1 1 15 15 GLY C C 15 170.863 170.863 173.806 -2.943 19792 8250 1 17 . 1 1 15 15 GLY CA C 15 40.913 40.913 43.982 -3.069 19792 8251 1 17 . 1 1 15 15 GLY H H 15 8.965 8.965 9.225 -0.260 19792 8252 1 17 . 1 1 16 16 GLY N N 16 107.025 107.025 108.677 -1.652 19792 8253 1 17 . 1 1 16 16 GLY C C 16 172.134 172.134 174.185 -2.051 19792 8254 1 17 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.039 -2.177 19792 8255 1 17 . 1 1 16 16 GLY H H 16 7.865 7.865 8.710 -0.845 19792 8256 1 17 . 1 1 17 17 LEU N N 17 115.104 115.104 119.640 -4.536 19792 8257 1 17 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.456 -0.544 19792 8258 1 17 . 1 1 17 17 LEU C C 17 176.024 176.024 177.569 -1.545 19792 8259 1 17 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.140 -2.557 19792 8260 1 17 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.026 -1.857 19792 8261 1 17 . 1 1 17 17 LEU H H 17 7.521 7.521 7.427 0.094 19792 8262 1 17 . 1 1 18 18 ASN N N 18 120.666 120.666 117.673 2.993 19792 8263 1 17 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.716 -0.330 19792 8264 1 17 . 1 1 18 18 ASN C C 18 176.199 176.199 176.302 -0.103 19792 8265 1 17 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.373 -3.071 19792 8266 1 17 . 1 1 18 18 ASN CB C 18 35.692 35.692 39.571 -3.879 19792 8267 1 17 . 1 1 18 18 ASN H H 18 9.528 9.528 8.589 0.939 19792 8268 1 17 . 1 1 19 19 THR N N 19 123.230 123.230 112.637 10.593 19792 8269 1 17 . 1 1 19 19 THR HA H 19 3.699 3.699 4.378 -0.679 19792 8270 1 17 . 1 1 19 19 THR C C 19 172.195 172.195 174.678 -2.483 19792 8271 1 17 . 1 1 19 19 THR CA C 19 62.512 62.512 63.977 -1.466 19792 8272 1 17 . 1 1 19 19 THR CB C 19 65.438 65.438 69.119 -3.681 19792 8273 1 17 . 1 1 19 19 THR H H 19 8.809 8.809 8.502 0.307 19792 8274 1 17 . 1 1 20 20 GLU N N 20 118.055 118.055 120.381 -2.326 19792 8275 1 17 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.531 -0.355 19792 8276 1 17 . 1 1 20 20 GLU C C 20 174.826 174.826 176.125 -1.299 19792 8277 1 17 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.517 -2.336 19792 8278 1 17 . 1 1 20 20 GLU CB C 20 27.076 27.076 30.513 -3.437 19792 8279 1 17 . 1 1 20 20 GLU H H 20 8.703 8.703 8.145 0.558 19792 8280 1 17 . 1 1 21 21 THR N N 21 119.209 119.209 116.346 2.863 19792 8281 1 17 . 1 1 21 21 THR HA H 21 3.930 3.930 4.478 -0.548 19792 8282 1 17 . 1 1 21 21 THR C C 21 171.688 171.688 173.189 -1.501 19792 8283 1 17 . 1 1 21 21 THR CA C 21 61.882 61.882 61.746 0.136 19792 8284 1 17 . 1 1 21 21 THR CB C 21 65.397 65.397 70.103 -4.706 19792 8285 1 17 . 1 1 21 21 THR H H 21 7.514 7.514 7.821 -0.307 19792 8286 1 17 . 1 1 22 22 ASN N N 22 126.624 126.624 120.195 6.429 19792 8287 1 17 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.913 -0.144 19792 8288 1 17 . 1 1 22 22 ASN C C 22 172.032 172.032 176.292 -4.260 19792 8289 1 17 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.332 -4.626 19792 8290 1 17 . 1 1 22 22 ASN CB C 22 37.373 37.373 41.940 -4.567 19792 8291 1 17 . 1 1 22 22 ASN H H 22 8.031 8.031 8.374 -0.343 19792 8292 1 17 . 1 1 23 23 GLU N N 23 118.056 118.056 122.908 -4.852 19792 8293 1 17 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.986 -0.419 19792 8294 1 17 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.873 -2.089 19792 8295 1 17 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.583 -3.721 19792 8296 1 17 . 1 1 23 23 GLU H H 23 10.151 10.151 8.879 1.272 19792 8297 1 17 . 1 1 24 24 LYS N N 24 118.897 118.897 118.223 0.674 19792 8298 1 17 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.380 -0.375 19792 8299 1 17 . 1 1 24 24 LYS C C 24 176.843 176.843 178.078 -1.235 19792 8300 1 17 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.869 -3.138 19792 8301 1 17 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.371 -2.000 19792 8302 1 17 . 1 1 24 24 LYS H H 24 7.839 7.839 8.439 -0.600 19792 8303 1 17 . 1 1 25 25 ALA N N 25 123.210 123.210 121.701 1.509 19792 8304 1 17 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.122 0.047 19792 8305 1 17 . 1 1 25 25 ALA C C 25 178.048 178.048 179.342 -1.294 19792 8306 1 17 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.448 -2.580 19792 8307 1 17 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.860 -2.721 19792 8308 1 17 . 1 1 25 25 ALA H H 25 7.827 7.827 7.478 0.349 19792 8309 1 17 . 1 1 26 26 LEU N N 26 116.466 116.466 119.209 -2.743 19792 8310 1 17 . 1 1 26 26 LEU HA H 26 4.024 4.024 3.887 0.137 19792 8311 1 17 . 1 1 26 26 LEU C C 26 176.375 176.375 179.133 -2.758 19792 8312 1 17 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.956 -2.998 19792 8313 1 17 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.769 -2.067 19792 8314 1 17 . 1 1 26 26 LEU H H 26 7.652 7.652 8.017 -0.365 19792 8315 1 17 . 1 1 27 27 GLU N N 27 119.789 119.789 118.865 0.924 19792 8316 1 17 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.953 -0.362 19792 8317 1 17 . 1 1 27 27 GLU C C 27 176.206 176.206 178.765 -2.559 19792 8318 1 17 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.664 -2.592 19792 8319 1 17 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.326 -2.259 19792 8320 1 17 . 1 1 27 27 GLU H H 27 8.480 8.480 8.680 -0.200 19792 8321 1 17 . 1 1 28 28 ALA N N 28 120.599 120.599 120.653 -0.054 19792 8322 1 17 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.288 -0.249 19792 8323 1 17 . 1 1 28 28 ALA C C 28 177.506 177.506 179.007 -1.501 19792 8324 1 17 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.457 -2.550 19792 8325 1 17 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.472 -3.065 19792 8326 1 17 . 1 1 28 28 ALA H H 28 7.837 7.837 7.551 0.286 19792 8327 1 17 . 1 1 29 29 VAL N N 29 115.536 115.536 118.167 -2.631 19792 8328 1 17 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.775 0.051 19792 8329 1 17 . 1 1 29 29 VAL C C 29 174.998 174.998 177.041 -2.043 19792 8330 1 17 . 1 1 29 29 VAL CA C 29 61.999 61.999 65.266 -3.267 19792 8331 1 17 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.582 -1.704 19792 8332 1 17 . 1 1 29 29 VAL H H 29 7.626 7.626 7.311 0.315 19792 8333 1 17 . 1 1 30 30 PHE N N 30 115.465 115.465 113.715 1.750 19792 8334 1 17 . 1 1 30 30 PHE HA H 30 4.482 4.482 5.142 -0.660 19792 8335 1 17 . 1 1 30 30 PHE C C 30 174.725 174.725 177.940 -3.215 19792 8336 1 17 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.227 1.401 19792 8337 1 17 . 1 1 30 30 PHE CB C 30 35.394 35.394 40.478 -5.084 19792 8338 1 17 . 1 1 30 30 PHE H H 30 8.514 8.514 8.010 0.504 19792 8339 1 17 . 1 1 31 31 GLY N N 31 108.299 108.299 109.142 -0.843 19792 8340 1 17 . 1 1 31 31 GLY C C 31 172.455 172.455 175.494 -3.039 19792 8341 1 17 . 1 1 31 31 GLY CA C 31 43.505 43.505 47.007 -3.502 19792 8342 1 17 . 1 1 31 31 GLY H H 31 8.294 8.294 8.588 -0.294 19792 8343 1 17 . 1 1 32 32 LYS N N 32 117.309 117.309 118.957 -1.648 19792 8344 1 17 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.068 -0.142 19792 8345 1 17 . 1 1 32 32 LYS C C 32 174.779 174.779 176.566 -1.787 19792 8346 1 17 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.931 -3.231 19792 8347 1 17 . 1 1 32 32 LYS CB C 32 28.935 28.935 30.836 -1.901 19792 8348 1 17 . 1 1 32 32 LYS H H 32 6.846 6.846 8.455 -1.609 19792 8349 1 17 . 1 1 33 33 TYR N N 33 115.635 115.635 118.192 -2.557 19792 8350 1 17 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.608 -0.491 19792 8351 1 17 . 1 1 33 33 TYR C C 33 171.935 171.935 175.443 -3.508 19792 8352 1 17 . 1 1 33 33 TYR CA C 33 56.609 56.609 58.285 -1.677 19792 8353 1 17 . 1 1 33 33 TYR CB C 33 35.735 35.735 40.019 -4.284 19792 8354 1 17 . 1 1 33 33 TYR H H 33 7.593 7.593 7.949 -0.356 19792 8355 1 17 . 1 1 34 34 GLY N N 34 104.503 104.503 107.859 -3.356 19792 8356 1 17 . 1 1 34 34 GLY C C 34 168.962 168.962 173.459 -4.497 19792 8357 1 17 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.417 -3.854 19792 8358 1 17 . 1 1 34 34 GLY H H 34 7.253 7.253 7.803 -0.550 19792 8359 1 17 . 1 1 35 35 ARG N N 35 116.679 116.679 122.290 -5.611 19792 8360 1 17 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.826 -0.711 19792 8361 1 17 . 1 1 35 35 ARG C C 35 174.272 174.272 174.817 -0.545 19792 8362 1 17 . 1 1 35 35 ARG CA C 35 54.785 54.785 54.484 0.301 19792 8363 1 17 . 1 1 35 35 ARG CB C 35 27.958 27.958 32.341 -4.383 19792 8364 1 17 . 1 1 35 35 ARG H H 35 8.196 8.196 9.127 -0.931 19792 8365 1 17 . 1 1 36 36 ILE N N 36 128.885 128.885 124.823 4.062 19792 8366 1 17 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.160 -0.333 19792 8367 1 17 . 1 1 36 36 ILE C C 36 173.725 173.725 175.635 -1.910 19792 8368 1 17 . 1 1 36 36 ILE CA C 36 57.740 57.740 61.569 -3.829 19792 8369 1 17 . 1 1 36 36 ILE CB C 36 37.006 37.006 38.945 -1.939 19792 8370 1 17 . 1 1 36 36 ILE H H 36 8.760 8.760 8.620 0.140 19792 8371 1 17 . 1 1 37 37 VAL N N 37 122.612 122.612 126.365 -3.753 19792 8372 1 17 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.299 -0.216 19792 8373 1 17 . 1 1 37 37 VAL C C 37 172.917 172.917 174.711 -1.794 19792 8374 1 17 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.009 -1.663 19792 8375 1 17 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.591 -3.216 19792 8376 1 17 . 1 1 37 37 VAL H H 37 8.751 8.751 8.380 0.371 19792 8377 1 17 . 1 1 38 38 GLU N N 38 118.683 118.683 119.378 -0.695 19792 8378 1 17 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.536 -0.168 19792 8379 1 17 . 1 1 38 38 GLU C C 38 170.647 170.647 173.957 -3.310 19792 8380 1 17 . 1 1 38 38 GLU CA C 38 53.636 53.636 56.355 -2.719 19792 8381 1 17 . 1 1 38 38 GLU CB C 38 31.112 31.112 32.822 -1.710 19792 8382 1 17 . 1 1 38 38 GLU H H 38 7.075 7.075 7.427 -0.352 19792 8383 1 17 . 1 1 39 39 VAL N N 39 125.880 125.880 123.612 2.268 19792 8384 1 17 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.153 0.166 19792 8385 1 17 . 1 1 39 39 VAL C C 39 170.693 170.693 174.601 -3.908 19792 8386 1 17 . 1 1 39 39 VAL CA C 39 59.056 59.056 62.182 -3.126 19792 8387 1 17 . 1 1 39 39 VAL CB C 39 31.077 31.077 32.231 -1.154 19792 8388 1 17 . 1 1 39 39 VAL H H 39 8.509 8.509 8.581 -0.072 19792 8389 1 17 . 1 1 40 40 LEU N N 40 129.331 129.331 126.925 2.406 19792 8390 1 17 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.571 0.104 19792 8391 1 17 . 1 1 40 40 LEU C C 40 171.627 171.627 174.564 -2.937 19792 8392 1 17 . 1 1 40 40 LEU CA C 40 50.744 50.744 53.620 -2.877 19792 8393 1 17 . 1 1 40 40 LEU CB C 40 42.066 42.066 41.173 0.893 19792 8394 1 17 . 1 1 40 40 LEU H H 40 8.928 8.928 8.744 0.184 19792 8395 1 17 . 1 1 41 41 LEU N N 41 128.574 128.574 126.016 2.558 19792 8396 1 17 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.416 -0.076 19792 8397 1 17 . 1 1 41 41 LEU C C 41 172.935 172.935 175.812 -2.877 19792 8398 1 17 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.020 -3.144 19792 8399 1 17 . 1 1 41 41 LEU CB C 41 41.547 41.547 43.339 -1.792 19792 8400 1 17 . 1 1 41 41 LEU H H 41 9.023 9.023 7.839 1.184 19792 8401 1 17 . 1 1 42 42 MET N N 42 125.617 125.617 125.112 0.505 19792 8402 1 17 . 1 1 42 42 MET HA H 42 4.357 4.357 4.271 0.086 19792 8403 1 17 . 1 1 42 42 MET C C 42 172.606 172.606 175.199 -2.593 19792 8404 1 17 . 1 1 42 42 MET CA C 42 51.857 51.857 54.297 -2.440 19792 8405 1 17 . 1 1 42 42 MET CB C 42 27.700 27.700 30.896 -3.196 19792 8406 1 17 . 1 1 42 42 MET H H 42 7.988 7.988 8.124 -0.136 19792 8407 1 17 . 1 1 43 43 LYS N N 43 121.956 121.956 122.957 -1.001 19792 8408 1 17 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.805 -0.046 19792 8409 1 17 . 1 1 43 43 LYS C C 43 173.591 173.591 175.675 -2.084 19792 8410 1 17 . 1 1 43 43 LYS CA C 43 51.608 51.608 54.746 -3.138 19792 8411 1 17 . 1 1 43 43 LYS CB C 43 33.447 33.447 36.017 -2.570 19792 8412 1 17 . 1 1 43 43 LYS H H 43 8.289 8.289 8.045 0.244 19792 8413 1 17 . 1 1 44 44 ASP N N 44 123.608 123.608 120.625 2.983 19792 8414 1 17 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.536 -0.065 19792 8415 1 17 . 1 1 44 44 ASP C C 44 174.790 174.790 176.934 -2.144 19792 8416 1 17 . 1 1 44 44 ASP CA C 44 51.279 51.279 54.821 -3.542 19792 8417 1 17 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.206 -2.029 19792 8418 1 17 . 1 1 44 44 ASP H H 44 8.693 8.693 8.698 -0.005 19792 8419 1 17 . 1 1 45 45 ARG N N 45 126.884 126.884 118.452 8.432 19792 8420 1 17 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.462 -0.486 19792 8421 1 17 . 1 1 45 45 ARG C C 45 174.578 174.578 176.897 -2.319 19792 8422 1 17 . 1 1 45 45 ARG CA C 45 55.637 55.637 56.637 -1.000 19792 8423 1 17 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.395 -2.851 19792 8424 1 17 . 1 1 45 45 ARG H H 45 8.875 8.875 8.545 0.330 19792 8425 1 17 . 1 1 46 46 GLU N N 46 117.313 117.313 122.045 -4.732 19792 8426 1 17 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.256 -0.074 19792 8427 1 17 . 1 1 46 46 GLU C C 46 175.625 175.625 176.686 -1.061 19792 8428 1 17 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.191 -2.563 19792 8429 1 17 . 1 1 46 46 GLU CB C 46 27.597 27.597 30.228 -2.631 19792 8430 1 17 . 1 1 46 46 GLU H H 46 8.561 8.561 8.815 -0.254 19792 8431 1 17 . 1 1 47 47 THR N N 47 107.019 107.019 112.288 -5.269 19792 8432 1 17 . 1 1 47 47 THR HA H 47 4.277 4.277 4.609 -0.332 19792 8433 1 17 . 1 1 47 47 THR C C 47 173.242 173.242 172.886 0.356 19792 8434 1 17 . 1 1 47 47 THR CA C 47 58.709 58.709 61.858 -3.149 19792 8435 1 17 . 1 1 47 47 THR CB C 47 67.971 67.971 68.668 -0.697 19792 8436 1 17 . 1 1 47 47 THR H H 47 8.053 8.053 7.952 0.101 19792 8437 1 17 . 1 1 48 48 ASN N N 48 117.468 117.468 116.269 1.199 19792 8438 1 17 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.305 0.030 19792 8439 1 17 . 1 1 48 48 ASN C C 48 171.106 171.106 174.740 -3.634 19792 8440 1 17 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.189 -2.059 19792 8441 1 17 . 1 1 48 48 ASN CB C 48 35.645 35.645 37.377 -1.732 19792 8442 1 17 . 1 1 48 48 ASN H H 48 8.230 8.230 8.426 -0.196 19792 8443 1 17 . 1 1 49 49 LYS N N 49 117.523 117.523 117.636 -0.113 19792 8444 1 17 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.265 0.031 19792 8445 1 17 . 1 1 49 49 LYS C C 49 173.910 173.910 177.433 -3.523 19792 8446 1 17 . 1 1 49 49 LYS CA C 49 52.763 52.763 57.203 -4.440 19792 8447 1 17 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.296 -2.257 19792 8448 1 17 . 1 1 49 49 LYS H H 49 7.517 7.517 7.846 -0.329 19792 8449 1 17 . 1 1 50 50 SER N N 50 115.960 115.960 116.946 -0.986 19792 8450 1 17 . 1 1 50 50 SER HA H 50 4.197 4.197 4.720 -0.523 19792 8451 1 17 . 1 1 50 50 SER C C 50 173.417 173.417 175.143 -1.726 19792 8452 1 17 . 1 1 50 50 SER CA C 50 55.614 55.614 57.966 -2.352 19792 8453 1 17 . 1 1 50 50 SER CB C 50 61.524 61.524 64.091 -2.567 19792 8454 1 17 . 1 1 50 50 SER H H 50 8.705 8.705 8.462 0.243 19792 8455 1 17 . 1 1 51 51 ARG N N 51 124.058 124.058 120.046 4.012 19792 8456 1 17 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.521 -0.213 19792 8457 1 17 . 1 1 51 51 ARG C C 51 174.657 174.657 177.461 -2.804 19792 8458 1 17 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.225 -1.832 19792 8459 1 17 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.729 -1.950 19792 8460 1 17 . 1 1 51 51 ARG H H 51 9.023 9.023 8.452 0.571 19792 8461 1 17 . 1 1 52 52 GLY N N 52 106.703 106.703 108.349 -1.646 19792 8462 1 17 . 1 1 52 52 GLY C C 52 168.863 168.863 173.431 -4.568 19792 8463 1 17 . 1 1 52 52 GLY CA C 52 42.919 42.919 45.548 -2.629 19792 8464 1 17 . 1 1 52 52 GLY H H 52 9.129 9.129 8.808 0.321 19792 8465 1 17 . 1 1 53 53 PHE N N 53 112.307 112.307 115.329 -3.022 19792 8466 1 17 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.380 -0.137 19792 8467 1 17 . 1 1 53 53 PHE C C 53 169.552 169.552 172.672 -3.120 19792 8468 1 17 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.478 -2.383 19792 8469 1 17 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.202 -2.288 19792 8470 1 17 . 1 1 53 53 PHE H H 53 6.845 6.845 7.507 -0.662 19792 8471 1 17 . 1 1 54 54 ALA N N 54 120.987 120.987 121.001 -0.014 19792 8472 1 17 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.525 0.369 19792 8473 1 17 . 1 1 54 54 ALA C C 54 171.062 171.062 174.464 -3.402 19792 8474 1 17 . 1 1 54 54 ALA CA C 54 47.049 47.049 50.642 -3.593 19792 8475 1 17 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.801 0.025 19792 8476 1 17 . 1 1 54 54 ALA H H 54 8.970 8.970 8.729 0.241 19792 8477 1 17 . 1 1 55 55 PHE N N 55 114.157 114.157 119.956 -5.799 19792 8478 1 17 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.737 1.031 19792 8479 1 17 . 1 1 55 55 PHE C C 55 173.605 173.605 172.796 0.809 19792 8480 1 17 . 1 1 55 55 PHE CA C 55 53.080 53.080 57.304 -4.224 19792 8481 1 17 . 1 1 55 55 PHE CB C 55 40.029 40.029 41.945 -1.916 19792 8482 1 17 . 1 1 55 55 PHE H H 55 8.837 8.837 8.245 0.592 19792 8483 1 17 . 1 1 56 56 VAL N N 56 123.812 123.812 126.501 -2.689 19792 8484 1 17 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.456 0.018 19792 8485 1 17 . 1 1 56 56 VAL C C 56 171.401 171.401 174.479 -3.078 19792 8486 1 17 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.529 -2.681 19792 8487 1 17 . 1 1 56 56 VAL CB C 56 32.527 32.527 34.999 -2.473 19792 8488 1 17 . 1 1 56 56 VAL H H 56 8.558 8.558 7.849 0.709 19792 8489 1 17 . 1 1 57 57 THR N N 57 123.000 123.000 118.453 4.547 19792 8490 1 17 . 1 1 57 57 THR HA H 57 4.974 4.974 4.849 0.125 19792 8491 1 17 . 1 1 57 57 THR C C 57 171.340 171.340 172.944 -1.604 19792 8492 1 17 . 1 1 57 57 THR CA C 57 58.659 58.659 60.889 -2.229 19792 8493 1 17 . 1 1 57 57 THR CB C 57 66.662 66.662 71.617 -4.955 19792 8494 1 17 . 1 1 57 57 THR H H 57 8.808 8.808 8.194 0.614 19792 8495 1 17 . 1 1 58 58 PHE N N 58 128.385 128.385 123.480 4.905 19792 8496 1 17 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.978 -0.295 19792 8497 1 17 . 1 1 58 58 PHE C C 58 172.367 172.367 176.127 -3.760 19792 8498 1 17 . 1 1 58 58 PHE CA C 58 55.449 55.449 56.328 -0.879 19792 8499 1 17 . 1 1 58 58 PHE CB C 58 37.909 37.909 41.425 -3.516 19792 8500 1 17 . 1 1 58 58 PHE H H 58 8.835 8.835 9.085 -0.250 19792 8501 1 17 . 1 1 59 59 GLU N N 59 121.627 121.627 124.466 -2.839 19792 8502 1 17 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.092 -0.326 19792 8503 1 17 . 1 1 59 59 GLU C C 59 173.666 173.666 176.692 -3.026 19792 8504 1 17 . 1 1 59 59 GLU CA C 59 56.293 56.293 59.443 -3.150 19792 8505 1 17 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.303 -2.517 19792 8506 1 17 . 1 1 59 59 GLU H H 59 8.067 8.067 8.679 -0.612 19792 8507 1 17 . 1 1 60 60 SER N N 60 112.302 112.302 113.358 -1.056 19792 8508 1 17 . 1 1 60 60 SER HA H 60 5.163 5.163 4.785 0.378 19792 8509 1 17 . 1 1 60 60 SER CA C 60 50.137 50.137 56.466 -6.329 19792 8510 1 17 . 1 1 60 60 SER CB C 60 61.350 61.350 63.684 -2.334 19792 8511 1 17 . 1 1 60 60 SER H H 60 9.333 9.333 8.055 1.278 19792 8512 1 17 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.411 -0.413 19792 8513 1 17 . 1 1 61 61 PRO CA C 61 61.850 61.850 65.037 -3.187 19792 8514 1 17 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.074 -2.683 19792 8515 1 17 . 1 1 62 62 ALA N N 62 121.088 121.088 118.678 2.410 19792 8516 1 17 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.269 -0.337 19792 8517 1 17 . 1 1 62 62 ALA C C 62 176.826 176.826 179.280 -2.454 19792 8518 1 17 . 1 1 62 62 ALA CA C 62 52.266 52.266 53.550 -1.284 19792 8519 1 17 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.196 -2.578 19792 8520 1 17 . 1 1 62 62 ALA H H 62 7.821 7.821 8.226 -0.405 19792 8521 1 17 . 1 1 63 63 ASP N N 63 120.099 120.099 121.202 -1.103 19792 8522 1 17 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.387 -0.295 19792 8523 1 17 . 1 1 63 63 ASP C C 63 174.505 174.505 177.178 -2.673 19792 8524 1 17 . 1 1 63 63 ASP CA C 63 53.809 53.809 56.761 -2.952 19792 8525 1 17 . 1 1 63 63 ASP CB C 63 37.374 37.374 40.807 -3.433 19792 8526 1 17 . 1 1 63 63 ASP H H 63 6.960 6.960 7.510 -0.550 19792 8527 1 17 . 1 1 64 64 ALA N N 64 119.533 119.533 122.216 -2.683 19792 8528 1 17 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.174 -0.033 19792 8529 1 17 . 1 1 64 64 ALA C C 64 176.037 176.037 179.218 -3.181 19792 8530 1 17 . 1 1 64 64 ALA CA C 64 51.399 51.399 54.970 -3.571 19792 8531 1 17 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.389 -2.824 19792 8532 1 17 . 1 1 64 64 ALA H H 64 6.771 6.771 7.348 -0.577 19792 8533 1 17 . 1 1 65 65 LYS N N 65 117.395 117.395 116.809 0.586 19792 8534 1 17 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.921 -0.194 19792 8535 1 17 . 1 1 65 65 LYS C C 65 176.716 176.716 177.766 -1.050 19792 8536 1 17 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.091 -2.407 19792 8537 1 17 . 1 1 65 65 LYS CB C 65 29.183 29.183 31.945 -2.762 19792 8538 1 17 . 1 1 65 65 LYS H H 65 7.478 7.478 7.865 -0.387 19792 8539 1 17 . 1 1 66 66 ASP N N 66 120.839 120.839 119.362 1.477 19792 8540 1 17 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.563 -0.380 19792 8541 1 17 . 1 1 66 66 ASP C C 66 175.111 175.111 178.555 -3.444 19792 8542 1 17 . 1 1 66 66 ASP CA C 66 54.430 54.430 56.851 -2.421 19792 8543 1 17 . 1 1 66 66 ASP CB C 66 37.720 37.720 41.415 -3.695 19792 8544 1 17 . 1 1 66 66 ASP H H 66 7.403 7.403 7.533 -0.130 19792 8545 1 17 . 1 1 67 67 ALA N N 67 122.056 122.056 123.365 -1.309 19792 8546 1 17 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.222 -1.062 19792 8547 1 17 . 1 1 67 67 ALA C C 67 176.448 176.448 178.411 -1.963 19792 8548 1 17 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.704 -3.405 19792 8549 1 17 . 1 1 67 67 ALA CB C 67 17.253 17.253 17.728 -0.475 19792 8550 1 17 . 1 1 67 67 ALA H H 67 7.737 7.737 8.112 -0.375 19792 8551 1 17 . 1 1 68 68 ALA N N 68 118.624 118.624 117.794 0.830 19792 8552 1 17 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.034 -0.335 19792 8553 1 17 . 1 1 68 68 ALA C C 68 176.619 176.619 177.861 -1.242 19792 8554 1 17 . 1 1 68 68 ALA CA C 68 52.280 52.280 53.877 -1.597 19792 8555 1 17 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.557 -3.708 19792 8556 1 17 . 1 1 68 68 ALA H H 68 8.108 8.108 7.694 0.414 19792 8557 1 17 . 1 1 69 69 ARG N N 69 116.265 116.265 115.651 0.614 19792 8558 1 17 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.429 -0.497 19792 8559 1 17 . 1 1 69 69 ARG C C 69 175.857 175.857 175.459 0.398 19792 8560 1 17 . 1 1 69 69 ARG CA C 69 55.734 55.734 55.817 -0.083 19792 8561 1 17 . 1 1 69 69 ARG CB C 69 27.249 27.249 30.292 -3.043 19792 8562 1 17 . 1 1 69 69 ARG H H 69 7.599 7.599 7.419 0.180 19792 8563 1 17 . 1 1 70 70 ASP N N 70 116.202 116.202 119.639 -3.437 19792 8564 1 17 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.804 -0.249 19792 8565 1 17 . 1 1 70 70 ASP C C 70 174.867 174.867 176.364 -1.497 19792 8566 1 17 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.434 -2.120 19792 8567 1 17 . 1 1 70 70 ASP CB C 70 39.839 39.839 42.490 -2.651 19792 8568 1 17 . 1 1 70 70 ASP H H 70 7.657 7.657 7.792 -0.135 19792 8569 1 17 . 1 1 71 71 MET N N 71 111.561 111.561 118.693 -7.132 19792 8570 1 17 . 1 1 71 71 MET HA H 71 4.742 4.742 4.459 0.283 19792 8571 1 17 . 1 1 71 71 MET C C 71 175.174 175.174 175.924 -0.750 19792 8572 1 17 . 1 1 71 71 MET CA C 71 50.378 50.378 56.555 -6.177 19792 8573 1 17 . 1 1 71 71 MET CB C 71 29.047 29.047 33.206 -4.159 19792 8574 1 17 . 1 1 71 71 MET H H 71 8.069 8.069 8.056 0.013 19792 8575 1 17 . 1 1 72 72 ASN N N 72 116.196 116.196 118.209 -2.013 19792 8576 1 17 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.602 -0.321 19792 8577 1 17 . 1 1 72 72 ASN C C 72 173.812 173.812 176.093 -2.281 19792 8578 1 17 . 1 1 72 72 ASN CA C 72 53.826 53.826 54.308 -0.482 19792 8579 1 17 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.450 -2.565 19792 8580 1 17 . 1 1 72 72 ASN H H 72 7.442 7.442 7.728 -0.286 19792 8581 1 17 . 1 1 73 73 GLY N N 73 116.956 116.956 105.266 11.690 19792 8582 1 17 . 1 1 73 73 GLY C C 73 171.629 171.629 174.942 -3.313 19792 8583 1 17 . 1 1 73 73 GLY CA C 73 43.091 43.091 46.112 -3.021 19792 8584 1 17 . 1 1 73 73 GLY H H 73 8.884 8.884 8.686 0.198 19792 8585 1 17 . 1 1 74 74 LYS N N 74 120.829 120.829 119.866 0.963 19792 8586 1 17 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.443 -0.203 19792 8587 1 17 . 1 1 74 74 LYS C C 74 172.132 172.132 175.850 -3.718 19792 8588 1 17 . 1 1 74 74 LYS CA C 74 52.333 52.333 56.000 -3.667 19792 8589 1 17 . 1 1 74 74 LYS CB C 74 30.131 30.131 34.078 -3.947 19792 8590 1 17 . 1 1 74 74 LYS H H 74 7.797 7.797 7.378 0.419 19792 8591 1 17 . 1 1 75 75 SER N N 75 112.883 112.883 115.365 -2.482 19792 8592 1 17 . 1 1 75 75 SER HA H 75 4.940 4.940 5.238 -0.298 19792 8593 1 17 . 1 1 75 75 SER C C 75 171.838 171.838 173.520 -1.682 19792 8594 1 17 . 1 1 75 75 SER CA C 75 54.722 54.722 56.405 -1.683 19792 8595 1 17 . 1 1 75 75 SER CB C 75 61.242 61.242 64.650 -3.408 19792 8596 1 17 . 1 1 75 75 SER H H 75 8.037 8.037 8.396 -0.359 19792 8597 1 17 . 1 1 76 76 LEU N N 76 127.669 127.669 125.361 2.308 19792 8598 1 17 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.694 -0.259 19792 8599 1 17 . 1 1 76 76 LEU C C 76 173.849 173.849 175.999 -2.150 19792 8600 1 17 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.508 -3.733 19792 8601 1 17 . 1 1 76 76 LEU CB C 76 41.886 41.886 44.281 -2.395 19792 8602 1 17 . 1 1 76 76 LEU H H 76 8.988 8.988 8.418 0.570 19792 8603 1 17 . 1 1 77 77 ASP N N 77 129.054 129.054 126.669 2.385 19792 8604 1 17 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.326 -0.152 19792 8605 1 17 . 1 1 77 77 ASP C C 77 173.415 173.415 176.413 -2.998 19792 8606 1 17 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.438 -2.562 19792 8607 1 17 . 1 1 77 77 ASP CB C 77 36.413 36.413 40.045 -3.632 19792 8608 1 17 . 1 1 77 77 ASP H H 77 9.523 9.523 9.278 0.245 19792 8609 1 17 . 1 1 78 78 GLY N N 78 101.915 101.915 103.502 -1.587 19792 8610 1 17 . 1 1 78 78 GLY C C 78 170.989 170.989 174.114 -3.125 19792 8611 1 17 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.257 -2.488 19792 8612 1 17 . 1 1 78 78 GLY H H 78 8.396 8.396 8.350 0.046 19792 8613 1 17 . 1 1 79 79 LYS N N 79 119.791 119.791 121.972 -2.181 19792 8614 1 17 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.593 -0.047 19792 8615 1 17 . 1 1 79 79 LYS C C 79 171.513 171.513 175.493 -3.980 19792 8616 1 17 . 1 1 79 79 LYS CA C 79 50.277 50.277 53.756 -3.479 19792 8617 1 17 . 1 1 79 79 LYS CB C 79 31.955 31.955 32.975 -1.020 19792 8618 1 17 . 1 1 79 79 LYS H H 79 7.269 7.269 7.727 -0.458 19792 8619 1 17 . 1 1 80 80 ALA N N 80 125.002 125.002 129.999 -4.997 19792 8620 1 17 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.514 -0.149 19792 8621 1 17 . 1 1 80 80 ALA C C 80 175.007 175.007 177.487 -2.480 19792 8622 1 17 . 1 1 80 80 ALA CA C 80 48.381 48.381 52.263 -3.882 19792 8623 1 17 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.226 -3.011 19792 8624 1 17 . 1 1 80 80 ALA H H 80 8.235 8.235 8.914 -0.679 19792 8625 1 17 . 1 1 81 81 ILE N N 81 119.947 119.947 120.462 -0.515 19792 8626 1 17 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.826 -0.212 19792 8627 1 17 . 1 1 81 81 ILE C C 81 172.389 172.389 175.072 -2.683 19792 8628 1 17 . 1 1 81 81 ILE CA C 81 57.921 57.921 60.698 -2.777 19792 8629 1 17 . 1 1 81 81 ILE CB C 81 37.547 37.547 39.635 -2.088 19792 8630 1 17 . 1 1 81 81 ILE H H 81 8.204 8.204 8.245 -0.041 19792 8631 1 17 . 1 1 82 82 LYS N N 82 123.700 123.700 121.740 1.960 19792 8632 1 17 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.676 0.170 19792 8633 1 17 . 1 1 82 82 LYS C C 82 172.571 172.571 174.561 -1.990 19792 8634 1 17 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.292 -3.951 19792 8635 1 17 . 1 1 82 82 LYS CB C 82 31.948 31.948 35.297 -3.349 19792 8636 1 17 . 1 1 82 82 LYS H H 82 8.460 8.460 8.765 -0.305 19792 8637 1 17 . 1 1 83 83 VAL N N 83 123.707 123.707 125.726 -2.019 19792 8638 1 17 . 1 1 83 83 VAL HA H 83 5.068 5.068 5.163 -0.095 19792 8639 1 17 . 1 1 83 83 VAL C C 83 171.831 171.831 175.531 -3.700 19792 8640 1 17 . 1 1 83 83 VAL CA C 83 57.954 57.954 60.568 -2.614 19792 8641 1 17 . 1 1 83 83 VAL CB C 83 31.979 31.979 32.444 -0.465 19792 8642 1 17 . 1 1 83 83 VAL H H 83 8.653 8.653 8.543 0.110 19792 8643 1 17 . 1 1 84 84 GLU N N 84 123.150 123.150 125.798 -2.648 19792 8644 1 17 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.791 -0.107 19792 8645 1 17 . 1 1 84 84 GLU C C 84 172.141 172.141 174.518 -2.377 19792 8646 1 17 . 1 1 84 84 GLU CA C 84 51.305 51.305 53.782 -2.477 19792 8647 1 17 . 1 1 84 84 GLU CB C 84 31.690 31.690 33.340 -1.651 19792 8648 1 17 . 1 1 84 84 GLU H H 84 8.977 8.977 9.107 -0.130 19792 8649 1 17 . 1 1 85 85 GLN N N 85 121.740 121.740 118.519 3.221 19792 8650 1 17 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.602 -0.353 19792 8651 1 17 . 1 1 85 85 GLN C C 85 173.263 173.263 176.121 -2.858 19792 8652 1 17 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.605 -0.347 19792 8653 1 17 . 1 1 85 85 GLN CB C 85 26.519 26.519 29.871 -3.352 19792 8654 1 17 . 1 1 85 85 GLN H H 85 8.835 8.835 8.663 0.172 19792 8655 1 17 . 1 1 86 86 ALA N N 86 127.885 127.885 131.235 -3.350 19792 8656 1 17 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.524 -0.090 19792 8657 1 17 . 1 1 86 86 ALA C C 86 174.487 174.487 176.695 -2.208 19792 8658 1 17 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.066 -2.050 19792 8659 1 17 . 1 1 86 86 ALA CB C 86 16.340 16.340 17.598 -1.258 19792 8660 1 17 . 1 1 86 86 ALA H H 86 8.608 8.608 8.936 -0.328 19792 8661 1 17 . 1 1 87 87 THR N N 87 113.372 113.372 114.312 -0.940 19792 8662 1 17 . 1 1 87 87 THR HA H 87 4.339 4.339 4.480 -0.141 19792 8663 1 17 . 1 1 87 87 THR C C 87 171.331 171.331 173.921 -2.590 19792 8664 1 17 . 1 1 87 87 THR CA C 87 58.219 58.219 61.265 -3.046 19792 8665 1 17 . 1 1 87 87 THR CB C 87 67.397 67.397 70.300 -2.903 19792 8666 1 17 . 1 1 87 87 THR H H 87 8.271 8.271 7.824 0.447 19792 8667 1 17 . 1 1 88 88 LYS N N 88 123.502 123.502 120.684 2.818 19792 8668 1 17 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.763 -0.290 19792 8669 1 17 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.575 -1.964 19792 8670 1 17 . 1 1 88 88 LYS CB C 88 29.867 29.867 32.653 -2.786 19792 8671 1 17 . 1 1 88 88 LYS H H 88 8.203 8.203 8.226 -0.023 19792 8672 1 17 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.569 -0.375 19792 8673 1 17 . 1 1 89 89 PRO C C 89 173.726 173.726 176.490 -2.764 19792 8674 1 17 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.838 -3.768 19792 8675 1 17 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.269 -2.954 19792 8676 1 17 . 1 1 90 90 SER N N 90 115.260 115.260 113.332 1.928 19792 8677 1 17 . 1 1 90 90 SER HA H 90 4.229 4.229 4.677 -0.448 19792 8678 1 17 . 1 1 90 90 SER C C 90 171.123 171.123 172.716 -1.593 19792 8679 1 17 . 1 1 90 90 SER CA C 90 55.017 55.017 57.621 -2.604 19792 8680 1 17 . 1 1 90 90 SER CB C 90 60.977 60.977 64.615 -3.638 19792 8681 1 17 . 1 1 90 90 SER H H 90 7.991 7.991 7.812 0.179 19792 8682 1 17 . 1 1 91 91 PHE N N 91 121.128 121.128 118.455 2.673 19792 8683 1 17 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.909 -0.382 19792 8684 1 17 . 1 1 91 91 PHE C C 91 171.798 171.798 174.921 -3.123 19792 8685 1 17 . 1 1 91 91 PHE CA C 91 54.467 54.467 57.456 -2.989 19792 8686 1 17 . 1 1 91 91 PHE CB C 91 37.008 37.008 41.081 -4.073 19792 8687 1 17 . 1 1 91 91 PHE H H 91 8.004 8.004 8.003 0.001 19792 8688 1 18 . 1 1 2 2 HIS HA H 2 4.596 4.596 5.372 -0.776 19792 8689 1 18 . 1 1 2 2 HIS C C 2 171.930 171.930 174.144 -2.214 19792 8690 1 18 . 1 1 2 2 HIS CA C 2 52.879 52.879 54.751 -1.872 19792 8691 1 18 . 1 1 2 2 HIS CB C 2 27.693 27.693 31.914 -4.221 19792 8692 1 18 . 1 1 3 3 MET N N 3 122.778 122.778 124.440 -1.662 19792 8693 1 18 . 1 1 3 3 MET HA H 3 4.365 4.365 4.372 -0.007 19792 8694 1 18 . 1 1 3 3 MET C C 3 173.051 173.051 174.524 -1.473 19792 8695 1 18 . 1 1 3 3 MET CA C 3 52.457 52.457 54.934 -2.477 19792 8696 1 18 . 1 1 3 3 MET CB C 3 30.267 30.267 34.565 -4.298 19792 8697 1 18 . 1 1 3 3 MET H H 3 8.407 8.407 8.663 -0.256 19792 8698 1 18 . 1 1 4 4 VAL N N 4 121.985 121.985 126.848 -4.863 19792 8699 1 18 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.405 -0.413 19792 8700 1 18 . 1 1 4 4 VAL C C 4 173.161 173.161 175.004 -1.843 19792 8701 1 18 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.669 -3.480 19792 8702 1 18 . 1 1 4 4 VAL CB C 4 30.313 30.313 31.770 -1.457 19792 8703 1 18 . 1 1 4 4 VAL H H 4 8.170 8.170 8.376 -0.206 19792 8704 1 18 . 1 1 5 5 GLU N N 5 124.990 124.990 126.332 -1.342 19792 8705 1 18 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.555 -0.393 19792 8706 1 18 . 1 1 5 5 GLU C C 5 173.208 173.208 175.375 -2.167 19792 8707 1 18 . 1 1 5 5 GLU CA C 5 53.271 53.271 56.085 -2.814 19792 8708 1 18 . 1 1 5 5 GLU CB C 5 27.861 27.861 29.441 -1.580 19792 8709 1 18 . 1 1 5 5 GLU H H 5 8.469 8.469 8.146 0.323 19792 8710 1 18 . 1 1 6 6 ALA N N 6 124.750 124.750 125.442 -0.692 19792 8711 1 18 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.507 -0.372 19792 8712 1 18 . 1 1 6 6 ALA C C 6 174.516 174.516 176.306 -1.790 19792 8713 1 18 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.623 -2.052 19792 8714 1 18 . 1 1 6 6 ALA CB C 6 16.604 16.604 19.469 -2.865 19792 8715 1 18 . 1 1 6 6 ALA H H 6 8.229 8.229 8.093 0.136 19792 8716 1 18 . 1 1 7 7 ASP N N 7 119.477 119.477 120.544 -1.067 19792 8717 1 18 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.529 -0.099 19792 8718 1 18 . 1 1 7 7 ASP C C 7 173.005 173.005 175.309 -2.304 19792 8719 1 18 . 1 1 7 7 ASP CA C 7 51.032 51.032 54.924 -3.892 19792 8720 1 18 . 1 1 7 7 ASP CB C 7 38.658 38.658 41.367 -2.709 19792 8721 1 18 . 1 1 7 7 ASP H H 7 8.172 8.172 8.259 -0.087 19792 8722 1 18 . 1 1 8 8 ARG N N 8 121.454 121.454 121.833 -0.379 19792 8723 1 18 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.493 -0.390 19792 8724 1 18 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.946 -0.238 19792 8725 1 18 . 1 1 8 8 ARG CB C 8 27.813 27.813 32.528 -4.715 19792 8726 1 18 . 1 1 8 8 ARG H H 8 8.168 8.168 8.360 -0.192 19792 8727 1 18 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.548 -0.135 19792 8728 1 18 . 1 1 9 9 PRO C C 9 174.662 174.662 176.460 -1.798 19792 8729 1 18 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.960 -2.154 19792 8730 1 18 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.834 -1.363 19792 8731 1 18 . 1 1 10 10 GLY N N 10 108.287 108.287 108.751 -0.464 19792 8732 1 18 . 1 1 10 10 GLY C C 10 169.715 169.715 174.491 -4.776 19792 8733 1 18 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.992 -3.463 19792 8734 1 18 . 1 1 10 10 GLY H H 10 8.769 8.769 8.101 0.668 19792 8735 1 18 . 1 1 11 11 LYS N N 11 122.177 122.177 120.191 1.986 19792 8736 1 18 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.030 0.834 19792 8737 1 18 . 1 1 11 11 LYS C C 11 172.419 172.419 175.195 -2.776 19792 8738 1 18 . 1 1 11 11 LYS CA C 11 53.417 53.417 57.200 -3.783 19792 8739 1 18 . 1 1 11 11 LYS CB C 11 32.058 32.058 32.161 -0.103 19792 8740 1 18 . 1 1 11 11 LYS H H 11 7.753 7.753 7.697 0.056 19792 8741 1 18 . 1 1 12 12 LEU N N 12 127.116 127.116 124.114 3.002 19792 8742 1 18 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.564 0.375 19792 8743 1 18 . 1 1 12 12 LEU C C 12 173.185 173.185 175.598 -2.413 19792 8744 1 18 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.004 -2.703 19792 8745 1 18 . 1 1 12 12 LEU CB C 12 42.075 42.075 46.196 -4.121 19792 8746 1 18 . 1 1 12 12 LEU H H 12 9.465 9.465 8.084 1.381 19792 8747 1 18 . 1 1 13 13 PHE N N 13 122.922 122.922 118.509 4.413 19792 8748 1 18 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.786 -0.074 19792 8749 1 18 . 1 1 13 13 PHE C C 13 170.330 170.330 173.330 -3.000 19792 8750 1 18 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.758 -3.716 19792 8751 1 18 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.267 -4.747 19792 8752 1 18 . 1 1 13 13 PHE H H 13 9.213 9.213 7.982 1.231 19792 8753 1 18 . 1 1 14 14 ILE N N 14 128.128 128.128 123.495 4.633 19792 8754 1 18 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.172 -0.357 19792 8755 1 18 . 1 1 14 14 ILE C C 14 171.441 171.441 174.797 -3.356 19792 8756 1 18 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.899 -4.488 19792 8757 1 18 . 1 1 14 14 ILE CB C 14 36.448 36.448 42.135 -5.687 19792 8758 1 18 . 1 1 14 14 ILE H H 14 8.304 8.304 8.373 -0.069 19792 8759 1 18 . 1 1 15 15 GLY N N 15 110.945 110.945 112.181 -1.236 19792 8760 1 18 . 1 1 15 15 GLY C C 15 170.863 170.863 173.718 -2.855 19792 8761 1 18 . 1 1 15 15 GLY CA C 15 40.913 40.913 45.908 -4.995 19792 8762 1 18 . 1 1 15 15 GLY H H 15 8.965 8.965 9.095 -0.130 19792 8763 1 18 . 1 1 16 16 GLY N N 16 107.025 107.025 109.357 -2.332 19792 8764 1 18 . 1 1 16 16 GLY C C 16 172.134 172.134 173.991 -1.857 19792 8765 1 18 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.599 -2.737 19792 8766 1 18 . 1 1 16 16 GLY H H 16 7.865 7.865 8.030 -0.165 19792 8767 1 18 . 1 1 17 17 LEU N N 17 115.104 115.104 121.222 -6.118 19792 8768 1 18 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.428 -0.516 19792 8769 1 18 . 1 1 17 17 LEU C C 17 176.024 176.024 176.794 -0.770 19792 8770 1 18 . 1 1 17 17 LEU CA C 17 51.583 51.583 55.131 -3.548 19792 8771 1 18 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.766 -2.596 19792 8772 1 18 . 1 1 17 17 LEU H H 17 7.521 7.521 8.193 -0.672 19792 8773 1 18 . 1 1 18 18 ASN N N 18 120.666 120.666 117.466 3.200 19792 8774 1 18 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.534 -0.148 19792 8775 1 18 . 1 1 18 18 ASN C C 18 176.199 176.199 176.305 -0.106 19792 8776 1 18 . 1 1 18 18 ASN CA C 18 50.302 50.302 54.157 -3.855 19792 8777 1 18 . 1 1 18 18 ASN CB C 18 35.692 35.692 39.837 -4.145 19792 8778 1 18 . 1 1 18 18 ASN H H 18 9.528 9.528 8.441 1.087 19792 8779 1 18 . 1 1 19 19 THR N N 19 123.230 123.230 110.014 13.216 19792 8780 1 18 . 1 1 19 19 THR HA H 19 3.699 3.699 4.454 -0.755 19792 8781 1 18 . 1 1 19 19 THR C C 19 172.195 172.195 174.449 -2.254 19792 8782 1 18 . 1 1 19 19 THR CA C 19 62.512 62.512 62.917 -0.405 19792 8783 1 18 . 1 1 19 19 THR CB C 19 65.438 65.438 69.552 -4.114 19792 8784 1 18 . 1 1 19 19 THR H H 19 8.809 8.809 8.435 0.374 19792 8785 1 18 . 1 1 20 20 GLU N N 20 118.055 118.055 120.539 -2.484 19792 8786 1 18 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.555 -0.379 19792 8787 1 18 . 1 1 20 20 GLU C C 20 174.826 174.826 175.060 -0.234 19792 8788 1 18 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.896 -2.715 19792 8789 1 18 . 1 1 20 20 GLU CB C 20 27.076 27.076 29.801 -2.725 19792 8790 1 18 . 1 1 20 20 GLU H H 20 8.703 8.703 7.946 0.757 19792 8791 1 18 . 1 1 21 21 THR N N 21 119.209 119.209 115.947 3.262 19792 8792 1 18 . 1 1 21 21 THR HA H 21 3.930 3.930 4.623 -0.693 19792 8793 1 18 . 1 1 21 21 THR C C 21 171.688 171.688 173.201 -1.513 19792 8794 1 18 . 1 1 21 21 THR CA C 21 61.882 61.882 61.431 0.451 19792 8795 1 18 . 1 1 21 21 THR CB C 21 65.397 65.397 70.895 -5.498 19792 8796 1 18 . 1 1 21 21 THR H H 21 7.514 7.514 8.072 -0.558 19792 8797 1 18 . 1 1 22 22 ASN N N 22 126.624 126.624 120.218 6.406 19792 8798 1 18 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.997 -0.228 19792 8799 1 18 . 1 1 22 22 ASN C C 22 172.032 172.032 174.600 -2.568 19792 8800 1 18 . 1 1 22 22 ASN CA C 22 47.706 47.706 51.495 -3.788 19792 8801 1 18 . 1 1 22 22 ASN CB C 22 37.373 37.373 40.920 -3.547 19792 8802 1 18 . 1 1 22 22 ASN H H 22 8.031 8.031 8.238 -0.207 19792 8803 1 18 . 1 1 23 23 GLU N N 23 118.056 118.056 120.078 -2.022 19792 8804 1 18 . 1 1 23 23 GLU HA H 23 3.567 3.567 4.041 -0.474 19792 8805 1 18 . 1 1 23 23 GLU CA C 23 58.784 58.784 59.630 -0.847 19792 8806 1 18 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.426 -3.564 19792 8807 1 18 . 1 1 23 23 GLU H H 23 10.151 10.151 8.909 1.242 19792 8808 1 18 . 1 1 24 24 LYS N N 24 118.897 118.897 118.358 0.539 19792 8809 1 18 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.161 -0.156 19792 8810 1 18 . 1 1 24 24 LYS C C 24 176.843 176.843 178.055 -1.212 19792 8811 1 18 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.674 -2.943 19792 8812 1 18 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.716 -2.345 19792 8813 1 18 . 1 1 24 24 LYS H H 24 7.839 7.839 8.263 -0.424 19792 8814 1 18 . 1 1 25 25 ALA N N 25 123.210 123.210 122.945 0.265 19792 8815 1 18 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.162 0.007 19792 8816 1 18 . 1 1 25 25 ALA C C 25 178.048 178.048 179.459 -1.411 19792 8817 1 18 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.545 -2.677 19792 8818 1 18 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.544 -2.405 19792 8819 1 18 . 1 1 25 25 ALA H H 25 7.827 7.827 7.834 -0.007 19792 8820 1 18 . 1 1 26 26 LEU N N 26 116.466 116.466 119.434 -2.968 19792 8821 1 18 . 1 1 26 26 LEU HA H 26 4.024 4.024 4.015 0.009 19792 8822 1 18 . 1 1 26 26 LEU C C 26 176.375 176.375 179.110 -2.735 19792 8823 1 18 . 1 1 26 26 LEU CA C 26 54.958 54.958 58.277 -3.319 19792 8824 1 18 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.167 -1.466 19792 8825 1 18 . 1 1 26 26 LEU H H 26 7.652 7.652 7.686 -0.034 19792 8826 1 18 . 1 1 27 27 GLU N N 27 119.789 119.789 118.295 1.494 19792 8827 1 18 . 1 1 27 27 GLU HA H 27 3.591 3.591 4.036 -0.445 19792 8828 1 18 . 1 1 27 27 GLU C C 27 176.206 176.206 178.903 -2.697 19792 8829 1 18 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.507 -2.435 19792 8830 1 18 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.163 -2.096 19792 8831 1 18 . 1 1 27 27 GLU H H 27 8.480 8.480 7.858 0.622 19792 8832 1 18 . 1 1 28 28 ALA N N 28 120.599 120.599 122.194 -1.595 19792 8833 1 18 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.111 -0.072 19792 8834 1 18 . 1 1 28 28 ALA C C 28 177.506 177.506 179.393 -1.887 19792 8835 1 18 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.890 -2.983 19792 8836 1 18 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.046 -2.639 19792 8837 1 18 . 1 1 28 28 ALA H H 28 7.837 7.837 7.402 0.435 19792 8838 1 18 . 1 1 29 29 VAL N N 29 115.536 115.536 118.518 -2.982 19792 8839 1 18 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.605 0.221 19792 8840 1 18 . 1 1 29 29 VAL C C 29 174.998 174.998 178.476 -3.478 19792 8841 1 18 . 1 1 29 29 VAL CA C 29 61.999 61.999 66.456 -4.457 19792 8842 1 18 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.274 -1.397 19792 8843 1 18 . 1 1 29 29 VAL H H 29 7.626 7.626 7.414 0.212 19792 8844 1 18 . 1 1 30 30 PHE N N 30 115.465 115.465 116.411 -0.946 19792 8845 1 18 . 1 1 30 30 PHE HA H 30 4.482 4.482 4.897 -0.415 19792 8846 1 18 . 1 1 30 30 PHE C C 30 174.725 174.725 178.345 -3.620 19792 8847 1 18 . 1 1 30 30 PHE CA C 30 59.628 59.628 59.707 -0.079 19792 8848 1 18 . 1 1 30 30 PHE CB C 30 35.394 35.394 38.815 -3.421 19792 8849 1 18 . 1 1 30 30 PHE H H 30 8.514 8.514 7.972 0.542 19792 8850 1 18 . 1 1 31 31 GLY N N 31 108.299 108.299 107.868 0.431 19792 8851 1 18 . 1 1 31 31 GLY C C 31 172.455 172.455 175.161 -2.706 19792 8852 1 18 . 1 1 31 31 GLY CA C 31 43.505 43.505 46.875 -3.370 19792 8853 1 18 . 1 1 31 31 GLY H H 31 8.294 8.294 8.489 -0.195 19792 8854 1 18 . 1 1 32 32 LYS N N 32 117.309 117.309 120.863 -3.554 19792 8855 1 18 . 1 1 32 32 LYS HA H 32 3.926 3.926 3.997 -0.071 19792 8856 1 18 . 1 1 32 32 LYS C C 32 174.779 174.779 176.338 -1.559 19792 8857 1 18 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.879 -3.179 19792 8858 1 18 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.160 -2.225 19792 8859 1 18 . 1 1 32 32 LYS H H 32 6.846 6.846 7.953 -1.107 19792 8860 1 18 . 1 1 33 33 TYR N N 33 115.635 115.635 117.622 -1.987 19792 8861 1 18 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.745 -0.628 19792 8862 1 18 . 1 1 33 33 TYR C C 33 171.935 171.935 174.814 -2.879 19792 8863 1 18 . 1 1 33 33 TYR CA C 33 56.609 56.609 58.409 -1.800 19792 8864 1 18 . 1 1 33 33 TYR CB C 33 35.735 35.735 39.843 -4.107 19792 8865 1 18 . 1 1 33 33 TYR H H 33 7.593 7.593 7.687 -0.094 19792 8866 1 18 . 1 1 34 34 GLY N N 34 104.503 104.503 106.134 -1.631 19792 8867 1 18 . 1 1 34 34 GLY C C 34 168.962 168.962 173.292 -4.330 19792 8868 1 18 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.164 -3.601 19792 8869 1 18 . 1 1 34 34 GLY H H 34 7.253 7.253 7.902 -0.649 19792 8870 1 18 . 1 1 35 35 ARG N N 35 116.679 116.679 117.757 -1.078 19792 8871 1 18 . 1 1 35 35 ARG HA H 35 4.115 4.115 3.781 0.334 19792 8872 1 18 . 1 1 35 35 ARG C C 35 174.272 174.272 173.580 0.692 19792 8873 1 18 . 1 1 35 35 ARG CA C 35 54.785 54.785 57.129 -2.344 19792 8874 1 18 . 1 1 35 35 ARG CB C 35 27.958 27.958 29.865 -1.907 19792 8875 1 18 . 1 1 35 35 ARG H H 35 8.196 8.196 8.213 -0.017 19792 8876 1 18 . 1 1 36 36 ILE N N 36 128.885 128.885 117.933 10.952 19792 8877 1 18 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.111 -0.284 19792 8878 1 18 . 1 1 36 36 ILE C C 36 173.725 173.725 175.522 -1.797 19792 8879 1 18 . 1 1 36 36 ILE CA C 36 57.740 57.740 60.108 -2.368 19792 8880 1 18 . 1 1 36 36 ILE CB C 36 37.006 37.006 40.928 -3.922 19792 8881 1 18 . 1 1 36 36 ILE H H 36 8.760 8.760 7.962 0.798 19792 8882 1 18 . 1 1 37 37 VAL N N 37 122.612 122.612 117.611 5.001 19792 8883 1 18 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.464 -0.381 19792 8884 1 18 . 1 1 37 37 VAL C C 37 172.917 172.917 175.334 -2.417 19792 8885 1 18 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.347 -2.001 19792 8886 1 18 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.614 -3.239 19792 8887 1 18 . 1 1 37 37 VAL H H 37 8.751 8.751 8.356 0.395 19792 8888 1 18 . 1 1 38 38 GLU N N 38 118.683 118.683 120.060 -1.377 19792 8889 1 18 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.628 -0.260 19792 8890 1 18 . 1 1 38 38 GLU C C 38 170.647 170.647 173.646 -2.999 19792 8891 1 18 . 1 1 38 38 GLU CA C 38 53.636 53.636 56.089 -2.453 19792 8892 1 18 . 1 1 38 38 GLU CB C 38 31.112 31.112 33.352 -2.240 19792 8893 1 18 . 1 1 38 38 GLU H H 38 7.075 7.075 7.591 -0.516 19792 8894 1 18 . 1 1 39 39 VAL N N 39 125.880 125.880 123.090 2.790 19792 8895 1 18 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.557 -0.238 19792 8896 1 18 . 1 1 39 39 VAL C C 39 170.693 170.693 174.723 -4.030 19792 8897 1 18 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.379 -2.323 19792 8898 1 18 . 1 1 39 39 VAL CB C 39 31.077 31.077 34.990 -3.913 19792 8899 1 18 . 1 1 39 39 VAL H H 39 8.509 8.509 8.559 -0.050 19792 8900 1 18 . 1 1 40 40 LEU N N 40 129.331 129.331 127.031 2.300 19792 8901 1 18 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.782 -0.107 19792 8902 1 18 . 1 1 40 40 LEU C C 40 171.627 171.627 174.719 -3.092 19792 8903 1 18 . 1 1 40 40 LEU CA C 40 50.744 50.744 54.292 -3.548 19792 8904 1 18 . 1 1 40 40 LEU CB C 40 42.066 42.066 45.661 -3.595 19792 8905 1 18 . 1 1 40 40 LEU H H 40 8.928 8.928 9.039 -0.111 19792 8906 1 18 . 1 1 41 41 LEU N N 41 128.574 128.574 127.461 1.113 19792 8907 1 18 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.370 -0.030 19792 8908 1 18 . 1 1 41 41 LEU C C 41 172.935 172.935 175.554 -2.619 19792 8909 1 18 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.808 -3.932 19792 8910 1 18 . 1 1 41 41 LEU CB C 41 41.547 41.547 43.274 -1.727 19792 8911 1 18 . 1 1 41 41 LEU H H 41 9.023 9.023 9.140 -0.117 19792 8912 1 18 . 1 1 42 42 MET N N 42 125.617 125.617 126.138 -0.521 19792 8913 1 18 . 1 1 42 42 MET HA H 42 4.357 4.357 4.505 -0.148 19792 8914 1 18 . 1 1 42 42 MET C C 42 172.606 172.606 175.767 -3.161 19792 8915 1 18 . 1 1 42 42 MET CA C 42 51.857 51.857 53.708 -1.851 19792 8916 1 18 . 1 1 42 42 MET CB C 42 27.700 27.700 32.334 -4.634 19792 8917 1 18 . 1 1 42 42 MET H H 42 7.988 7.988 7.963 0.025 19792 8918 1 18 . 1 1 43 43 LYS N N 43 121.956 121.956 119.439 2.517 19792 8919 1 18 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.816 -0.057 19792 8920 1 18 . 1 1 43 43 LYS C C 43 173.591 173.591 175.275 -1.684 19792 8921 1 18 . 1 1 43 43 LYS CA C 43 51.608 51.608 55.036 -3.429 19792 8922 1 18 . 1 1 43 43 LYS CB C 43 33.447 33.447 36.693 -3.246 19792 8923 1 18 . 1 1 43 43 LYS H H 43 8.289 8.289 8.136 0.153 19792 8924 1 18 . 1 1 44 44 ASP N N 44 123.608 123.608 121.438 2.170 19792 8925 1 18 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.637 -0.166 19792 8926 1 18 . 1 1 44 44 ASP C C 44 174.790 174.790 176.545 -1.755 19792 8927 1 18 . 1 1 44 44 ASP CA C 44 51.279 51.279 54.613 -3.334 19792 8928 1 18 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.992 -2.815 19792 8929 1 18 . 1 1 44 44 ASP H H 44 8.693 8.693 8.773 -0.080 19792 8930 1 18 . 1 1 45 45 ARG N N 45 126.884 126.884 121.951 4.933 19792 8931 1 18 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.261 -0.285 19792 8932 1 18 . 1 1 45 45 ARG C C 45 174.578 174.578 178.357 -3.779 19792 8933 1 18 . 1 1 45 45 ARG CA C 45 55.637 55.637 57.712 -2.075 19792 8934 1 18 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.337 -2.793 19792 8935 1 18 . 1 1 45 45 ARG H H 45 8.875 8.875 8.679 0.196 19792 8936 1 18 . 1 1 46 46 GLU N N 46 117.313 117.313 120.426 -3.113 19792 8937 1 18 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.226 -0.044 19792 8938 1 18 . 1 1 46 46 GLU C C 46 175.625 175.625 177.458 -1.833 19792 8939 1 18 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.650 -3.022 19792 8940 1 18 . 1 1 46 46 GLU CB C 46 27.597 27.597 30.395 -2.798 19792 8941 1 18 . 1 1 46 46 GLU H H 46 8.561 8.561 8.545 0.016 19792 8942 1 18 . 1 1 47 47 THR N N 47 107.019 107.019 110.767 -3.748 19792 8943 1 18 . 1 1 47 47 THR HA H 47 4.277 4.277 4.492 -0.215 19792 8944 1 18 . 1 1 47 47 THR C C 47 173.242 173.242 173.401 -0.159 19792 8945 1 18 . 1 1 47 47 THR CA C 47 58.709 58.709 61.097 -2.388 19792 8946 1 18 . 1 1 47 47 THR CB C 47 67.971 67.971 68.430 -0.459 19792 8947 1 18 . 1 1 47 47 THR H H 47 8.053 8.053 7.748 0.305 19792 8948 1 18 . 1 1 48 48 ASN N N 48 117.468 117.468 117.040 0.428 19792 8949 1 18 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.332 0.003 19792 8950 1 18 . 1 1 48 48 ASN C C 48 171.106 171.106 174.681 -3.575 19792 8951 1 18 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.759 -2.629 19792 8952 1 18 . 1 1 48 48 ASN CB C 48 35.645 35.645 37.406 -1.761 19792 8953 1 18 . 1 1 48 48 ASN H H 48 8.230 8.230 8.566 -0.336 19792 8954 1 18 . 1 1 49 49 LYS N N 49 117.523 117.523 118.740 -1.217 19792 8955 1 18 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.172 0.124 19792 8956 1 18 . 1 1 49 49 LYS C C 49 173.910 173.910 176.292 -2.382 19792 8957 1 18 . 1 1 49 49 LYS CA C 49 52.763 52.763 56.811 -4.048 19792 8958 1 18 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.133 -2.094 19792 8959 1 18 . 1 1 49 49 LYS H H 49 7.517 7.517 7.707 -0.190 19792 8960 1 18 . 1 1 50 50 SER N N 50 115.960 115.960 114.741 1.219 19792 8961 1 18 . 1 1 50 50 SER HA H 50 4.197 4.197 4.483 -0.286 19792 8962 1 18 . 1 1 50 50 SER C C 50 173.417 173.417 175.136 -1.719 19792 8963 1 18 . 1 1 50 50 SER CA C 50 55.614 55.614 57.678 -2.064 19792 8964 1 18 . 1 1 50 50 SER CB C 50 61.524 61.524 63.729 -2.205 19792 8965 1 18 . 1 1 50 50 SER H H 50 8.705 8.705 8.740 -0.035 19792 8966 1 18 . 1 1 51 51 ARG N N 51 124.058 124.058 123.522 0.536 19792 8967 1 18 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.619 -0.311 19792 8968 1 18 . 1 1 51 51 ARG C C 51 174.657 174.657 176.672 -2.015 19792 8969 1 18 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.052 -1.659 19792 8970 1 18 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.856 -2.077 19792 8971 1 18 . 1 1 51 51 ARG H H 51 9.023 9.023 8.875 0.148 19792 8972 1 18 . 1 1 52 52 GLY N N 52 106.703 106.703 108.207 -1.504 19792 8973 1 18 . 1 1 52 52 GLY C C 52 168.863 168.863 173.449 -4.586 19792 8974 1 18 . 1 1 52 52 GLY CA C 52 42.919 42.919 45.709 -2.789 19792 8975 1 18 . 1 1 52 52 GLY H H 52 9.129 9.129 8.556 0.573 19792 8976 1 18 . 1 1 53 53 PHE N N 53 112.307 112.307 116.647 -4.340 19792 8977 1 18 . 1 1 53 53 PHE HA H 53 5.243 5.243 4.978 0.265 19792 8978 1 18 . 1 1 53 53 PHE C C 53 169.552 169.552 172.230 -2.678 19792 8979 1 18 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.220 -2.125 19792 8980 1 18 . 1 1 53 53 PHE CB C 53 38.914 38.914 40.626 -1.712 19792 8981 1 18 . 1 1 53 53 PHE H H 53 6.845 6.845 7.620 -0.775 19792 8982 1 18 . 1 1 54 54 ALA N N 54 120.987 120.987 122.479 -1.492 19792 8983 1 18 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.400 0.494 19792 8984 1 18 . 1 1 54 54 ALA C C 54 171.062 171.062 174.176 -3.114 19792 8985 1 18 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.030 -3.981 19792 8986 1 18 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.454 0.372 19792 8987 1 18 . 1 1 54 54 ALA H H 54 8.970 8.970 8.273 0.697 19792 8988 1 18 . 1 1 55 55 PHE N N 55 114.157 114.157 120.637 -6.480 19792 8989 1 18 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.867 0.901 19792 8990 1 18 . 1 1 55 55 PHE C C 55 173.605 173.605 173.211 0.394 19792 8991 1 18 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.912 -3.832 19792 8992 1 18 . 1 1 55 55 PHE CB C 55 40.029 40.029 42.977 -2.948 19792 8993 1 18 . 1 1 55 55 PHE H H 55 8.837 8.837 8.397 0.440 19792 8994 1 18 . 1 1 56 56 VAL N N 56 123.812 123.812 117.127 6.685 19792 8995 1 18 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.534 -0.060 19792 8996 1 18 . 1 1 56 56 VAL C C 56 171.401 171.401 173.043 -1.642 19792 8997 1 18 . 1 1 56 56 VAL CA C 56 57.848 57.848 59.879 -2.031 19792 8998 1 18 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.762 -3.235 19792 8999 1 18 . 1 1 56 56 VAL H H 56 8.558 8.558 7.412 1.146 19792 9000 1 18 . 1 1 57 57 THR N N 57 123.000 123.000 119.133 3.867 19792 9001 1 18 . 1 1 57 57 THR HA H 57 4.974 4.974 4.436 0.538 19792 9002 1 18 . 1 1 57 57 THR C C 57 171.340 171.340 173.346 -2.006 19792 9003 1 18 . 1 1 57 57 THR CA C 57 58.659 58.659 60.999 -2.340 19792 9004 1 18 . 1 1 57 57 THR CB C 57 66.662 66.662 70.082 -3.420 19792 9005 1 18 . 1 1 57 57 THR H H 57 8.808 8.808 8.475 0.333 19792 9006 1 18 . 1 1 58 58 PHE N N 58 128.385 128.385 125.723 2.662 19792 9007 1 18 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.421 0.262 19792 9008 1 18 . 1 1 58 58 PHE C C 58 172.367 172.367 177.166 -4.799 19792 9009 1 18 . 1 1 58 58 PHE CA C 58 55.449 55.449 58.365 -2.917 19792 9010 1 18 . 1 1 58 58 PHE CB C 58 37.909 37.909 40.102 -2.193 19792 9011 1 18 . 1 1 58 58 PHE H H 58 8.835 8.835 8.500 0.335 19792 9012 1 18 . 1 1 59 59 GLU N N 59 121.627 121.627 122.007 -0.380 19792 9013 1 18 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.135 -0.369 19792 9014 1 18 . 1 1 59 59 GLU C C 59 173.666 173.666 175.668 -2.002 19792 9015 1 18 . 1 1 59 59 GLU CA C 59 56.293 56.293 58.298 -2.005 19792 9016 1 18 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.529 -2.742 19792 9017 1 18 . 1 1 59 59 GLU H H 59 8.067 8.067 8.710 -0.643 19792 9018 1 18 . 1 1 60 60 SER N N 60 112.302 112.302 109.216 3.086 19792 9019 1 18 . 1 1 60 60 SER HA H 60 5.163 5.163 4.894 0.269 19792 9020 1 18 . 1 1 60 60 SER CA C 60 50.137 50.137 54.426 -4.290 19792 9021 1 18 . 1 1 60 60 SER CB C 60 61.350 61.350 64.770 -3.420 19792 9022 1 18 . 1 1 60 60 SER H H 60 9.333 9.333 7.929 1.404 19792 9023 1 18 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.548 -0.550 19792 9024 1 18 . 1 1 61 61 PRO CA C 61 61.850 61.850 64.248 -2.398 19792 9025 1 18 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.069 -2.678 19792 9026 1 18 . 1 1 62 62 ALA N N 62 121.088 121.088 122.452 -1.364 19792 9027 1 18 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.067 -0.135 19792 9028 1 18 . 1 1 62 62 ALA C C 62 176.826 176.826 179.592 -2.766 19792 9029 1 18 . 1 1 62 62 ALA CA C 62 52.266 52.266 54.767 -2.501 19792 9030 1 18 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.873 -3.255 19792 9031 1 18 . 1 1 62 62 ALA H H 62 7.821 7.821 8.275 -0.454 19792 9032 1 18 . 1 1 63 63 ASP N N 63 120.099 120.099 120.360 -0.261 19792 9033 1 18 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.473 -0.381 19792 9034 1 18 . 1 1 63 63 ASP C C 63 174.505 174.505 177.064 -2.559 19792 9035 1 18 . 1 1 63 63 ASP CA C 63 53.809 53.809 56.853 -3.045 19792 9036 1 18 . 1 1 63 63 ASP CB C 63 37.374 37.374 40.139 -2.765 19792 9037 1 18 . 1 1 63 63 ASP H H 63 6.960 6.960 8.340 -1.380 19792 9038 1 18 . 1 1 64 64 ALA N N 64 119.533 119.533 118.580 0.953 19792 9039 1 18 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.426 -0.285 19792 9040 1 18 . 1 1 64 64 ALA C C 64 176.037 176.037 177.089 -1.052 19792 9041 1 18 . 1 1 64 64 ALA CA C 64 51.399 51.399 52.474 -1.075 19792 9042 1 18 . 1 1 64 64 ALA CB C 64 15.565 15.565 17.802 -2.237 19792 9043 1 18 . 1 1 64 64 ALA H H 64 6.771 6.771 7.641 -0.870 19792 9044 1 18 . 1 1 65 65 LYS N N 65 117.395 117.395 117.180 0.215 19792 9045 1 18 . 1 1 65 65 LYS HA H 65 3.727 3.727 4.254 -0.527 19792 9046 1 18 . 1 1 65 65 LYS C C 65 176.716 176.716 178.067 -1.351 19792 9047 1 18 . 1 1 65 65 LYS CA C 65 56.684 56.684 58.347 -1.663 19792 9048 1 18 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.917 -3.735 19792 9049 1 18 . 1 1 65 65 LYS H H 65 7.478 7.478 7.690 -0.212 19792 9050 1 18 . 1 1 66 66 ASP N N 66 120.839 120.839 120.872 -0.033 19792 9051 1 18 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.416 -0.233 19792 9052 1 18 . 1 1 66 66 ASP C C 66 175.111 175.111 177.661 -2.550 19792 9053 1 18 . 1 1 66 66 ASP CA C 66 54.430 54.430 57.418 -2.988 19792 9054 1 18 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.746 -3.026 19792 9055 1 18 . 1 1 66 66 ASP H H 66 7.403 7.403 7.749 -0.346 19792 9056 1 18 . 1 1 67 67 ALA N N 67 122.056 122.056 121.699 0.357 19792 9057 1 18 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.449 -1.289 19792 9058 1 18 . 1 1 67 67 ALA C C 67 176.448 176.448 178.847 -2.399 19792 9059 1 18 . 1 1 67 67 ALA CA C 67 51.299 51.299 55.540 -4.241 19792 9060 1 18 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.147 -0.894 19792 9061 1 18 . 1 1 67 67 ALA H H 67 7.737 7.737 7.337 0.400 19792 9062 1 18 . 1 1 68 68 ALA N N 68 118.624 118.624 119.584 -0.960 19792 9063 1 18 . 1 1 68 68 ALA HA H 68 3.699 3.699 3.917 -0.218 19792 9064 1 18 . 1 1 68 68 ALA C C 68 176.619 176.619 179.262 -2.643 19792 9065 1 18 . 1 1 68 68 ALA CA C 68 52.280 52.280 54.508 -2.228 19792 9066 1 18 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.038 -3.189 19792 9067 1 18 . 1 1 68 68 ALA H H 68 8.108 8.108 8.305 -0.197 19792 9068 1 18 . 1 1 69 69 ARG N N 69 116.265 116.265 117.136 -0.871 19792 9069 1 18 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.110 -0.178 19792 9070 1 18 . 1 1 69 69 ARG C C 69 175.857 175.857 177.267 -1.410 19792 9071 1 18 . 1 1 69 69 ARG CA C 69 55.734 55.734 57.772 -2.038 19792 9072 1 18 . 1 1 69 69 ARG CB C 69 27.249 27.249 29.861 -2.612 19792 9073 1 18 . 1 1 69 69 ARG H H 69 7.599 7.599 7.407 0.192 19792 9074 1 18 . 1 1 70 70 ASP N N 70 116.202 116.202 119.150 -2.948 19792 9075 1 18 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.673 -0.118 19792 9076 1 18 . 1 1 70 70 ASP C C 70 174.867 174.867 176.922 -2.055 19792 9077 1 18 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.792 -2.478 19792 9078 1 18 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.866 -2.027 19792 9079 1 18 . 1 1 70 70 ASP H H 70 7.657 7.657 7.674 -0.017 19792 9080 1 18 . 1 1 71 71 MET N N 71 111.561 111.561 116.483 -4.922 19792 9081 1 18 . 1 1 71 71 MET HA H 71 4.742 4.742 4.444 0.298 19792 9082 1 18 . 1 1 71 71 MET C C 71 175.174 175.174 175.806 -0.632 19792 9083 1 18 . 1 1 71 71 MET CA C 71 50.378 50.378 55.267 -4.889 19792 9084 1 18 . 1 1 71 71 MET CB C 71 29.047 29.047 33.108 -4.061 19792 9085 1 18 . 1 1 71 71 MET H H 71 8.069 8.069 7.546 0.523 19792 9086 1 18 . 1 1 72 72 ASN N N 72 116.196 116.196 117.507 -1.311 19792 9087 1 18 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.618 -0.337 19792 9088 1 18 . 1 1 72 72 ASN C C 72 173.812 173.812 177.211 -3.399 19792 9089 1 18 . 1 1 72 72 ASN CA C 72 53.826 53.826 53.995 -0.169 19792 9090 1 18 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.869 -2.984 19792 9091 1 18 . 1 1 72 72 ASN H H 72 7.442 7.442 7.665 -0.223 19792 9092 1 18 . 1 1 73 73 GLY N N 73 116.956 116.956 108.185 8.771 19792 9093 1 18 . 1 1 73 73 GLY C C 73 171.629 171.629 174.206 -2.577 19792 9094 1 18 . 1 1 73 73 GLY CA C 73 43.091 43.091 46.048 -2.957 19792 9095 1 18 . 1 1 73 73 GLY H H 73 8.884 8.884 8.467 0.417 19792 9096 1 18 . 1 1 74 74 LYS N N 74 120.829 120.829 122.149 -1.320 19792 9097 1 18 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.396 -0.156 19792 9098 1 18 . 1 1 74 74 LYS C C 74 172.132 172.132 175.711 -3.579 19792 9099 1 18 . 1 1 74 74 LYS CA C 74 52.333 52.333 56.212 -3.879 19792 9100 1 18 . 1 1 74 74 LYS CB C 74 30.131 30.131 33.761 -3.630 19792 9101 1 18 . 1 1 74 74 LYS H H 74 7.797 7.797 7.869 -0.072 19792 9102 1 18 . 1 1 75 75 SER N N 75 112.883 112.883 113.773 -0.890 19792 9103 1 18 . 1 1 75 75 SER HA H 75 4.940 4.940 4.834 0.106 19792 9104 1 18 . 1 1 75 75 SER C C 75 171.838 171.838 174.015 -2.177 19792 9105 1 18 . 1 1 75 75 SER CA C 75 54.722 54.722 58.350 -3.628 19792 9106 1 18 . 1 1 75 75 SER CB C 75 61.242 61.242 64.621 -3.379 19792 9107 1 18 . 1 1 75 75 SER H H 75 8.037 8.037 8.295 -0.258 19792 9108 1 18 . 1 1 76 76 LEU N N 76 127.669 127.669 123.035 4.634 19792 9109 1 18 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.633 -0.197 19792 9110 1 18 . 1 1 76 76 LEU C C 76 173.849 173.849 175.713 -1.864 19792 9111 1 18 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.652 -3.877 19792 9112 1 18 . 1 1 76 76 LEU CB C 76 41.886 41.886 43.763 -1.877 19792 9113 1 18 . 1 1 76 76 LEU H H 76 8.988 8.988 8.737 0.251 19792 9114 1 18 . 1 1 77 77 ASP N N 77 129.054 129.054 117.735 11.319 19792 9115 1 18 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.571 -0.397 19792 9116 1 18 . 1 1 77 77 ASP C C 77 173.415 173.415 177.114 -3.699 19792 9117 1 18 . 1 1 77 77 ASP CA C 77 52.876 52.876 54.458 -1.582 19792 9118 1 18 . 1 1 77 77 ASP CB C 77 36.413 36.413 41.197 -4.784 19792 9119 1 18 . 1 1 77 77 ASP H H 77 9.523 9.523 8.454 1.069 19792 9120 1 18 . 1 1 78 78 GLY N N 78 101.915 101.915 106.624 -4.709 19792 9121 1 18 . 1 1 78 78 GLY C C 78 170.989 170.989 174.653 -3.664 19792 9122 1 18 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.087 -2.318 19792 9123 1 18 . 1 1 78 78 GLY H H 78 8.396 8.396 8.286 0.110 19792 9124 1 18 . 1 1 79 79 LYS N N 79 119.791 119.791 120.726 -0.935 19792 9125 1 18 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.632 -0.086 19792 9126 1 18 . 1 1 79 79 LYS C C 79 171.513 171.513 174.560 -3.047 19792 9127 1 18 . 1 1 79 79 LYS CA C 79 50.277 50.277 53.836 -3.559 19792 9128 1 18 . 1 1 79 79 LYS CB C 79 31.955 31.955 34.119 -2.164 19792 9129 1 18 . 1 1 79 79 LYS H H 79 7.269 7.269 8.435 -1.166 19792 9130 1 18 . 1 1 80 80 ALA N N 80 125.002 125.002 121.768 3.234 19792 9131 1 18 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.890 -0.525 19792 9132 1 18 . 1 1 80 80 ALA C C 80 175.007 175.007 176.517 -1.510 19792 9133 1 18 . 1 1 80 80 ALA CA C 80 48.381 48.381 50.709 -2.328 19792 9134 1 18 . 1 1 80 80 ALA CB C 80 15.215 15.215 19.686 -4.471 19792 9135 1 18 . 1 1 80 80 ALA H H 80 8.235 8.235 8.419 -0.184 19792 9136 1 18 . 1 1 81 81 ILE N N 81 119.947 119.947 119.868 0.079 19792 9137 1 18 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.293 0.321 19792 9138 1 18 . 1 1 81 81 ILE C C 81 172.389 172.389 174.614 -2.225 19792 9139 1 18 . 1 1 81 81 ILE CA C 81 57.921 57.921 61.461 -3.540 19792 9140 1 18 . 1 1 81 81 ILE CB C 81 37.547 37.547 38.931 -1.384 19792 9141 1 18 . 1 1 81 81 ILE H H 81 8.204 8.204 8.219 -0.015 19792 9142 1 18 . 1 1 82 82 LYS N N 82 123.700 123.700 127.211 -3.511 19792 9143 1 18 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.499 0.347 19792 9144 1 18 . 1 1 82 82 LYS C C 82 172.571 172.571 174.905 -2.334 19792 9145 1 18 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.363 -4.022 19792 9146 1 18 . 1 1 82 82 LYS CB C 82 31.948 31.948 33.241 -1.293 19792 9147 1 18 . 1 1 82 82 LYS H H 82 8.460 8.460 8.816 -0.356 19792 9148 1 18 . 1 1 83 83 VAL N N 83 123.707 123.707 124.459 -0.752 19792 9149 1 18 . 1 1 83 83 VAL HA H 83 5.068 5.068 4.940 0.128 19792 9150 1 18 . 1 1 83 83 VAL C C 83 171.831 171.831 175.583 -3.752 19792 9151 1 18 . 1 1 83 83 VAL CA C 83 57.954 57.954 60.494 -2.540 19792 9152 1 18 . 1 1 83 83 VAL CB C 83 31.979 31.979 34.297 -2.318 19792 9153 1 18 . 1 1 83 83 VAL H H 83 8.653 8.653 8.568 0.085 19792 9154 1 18 . 1 1 84 84 GLU N N 84 123.150 123.150 126.863 -3.713 19792 9155 1 18 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.693 -0.009 19792 9156 1 18 . 1 1 84 84 GLU C C 84 172.141 172.141 174.792 -2.651 19792 9157 1 18 . 1 1 84 84 GLU CA C 84 51.305 51.305 53.851 -2.546 19792 9158 1 18 . 1 1 84 84 GLU CB C 84 31.690 31.690 34.167 -2.477 19792 9159 1 18 . 1 1 84 84 GLU H H 84 8.977 8.977 9.213 -0.236 19792 9160 1 18 . 1 1 85 85 GLN N N 85 121.740 121.740 119.823 1.917 19792 9161 1 18 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.324 -0.075 19792 9162 1 18 . 1 1 85 85 GLN C C 85 173.263 173.263 176.219 -2.956 19792 9163 1 18 . 1 1 85 85 GLN CA C 85 54.257 54.257 55.008 -0.751 19792 9164 1 18 . 1 1 85 85 GLN CB C 85 26.519 26.519 28.923 -2.404 19792 9165 1 18 . 1 1 85 85 GLN H H 85 8.835 8.835 8.616 0.219 19792 9166 1 18 . 1 1 86 86 ALA N N 86 127.885 127.885 128.617 -0.732 19792 9167 1 18 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.288 0.146 19792 9168 1 18 . 1 1 86 86 ALA C C 86 174.487 174.487 176.939 -2.452 19792 9169 1 18 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.722 -2.706 19792 9170 1 18 . 1 1 86 86 ALA CB C 86 16.340 16.340 19.411 -3.071 19792 9171 1 18 . 1 1 86 86 ALA H H 86 8.608 8.608 8.860 -0.252 19792 9172 1 18 . 1 1 87 87 THR N N 87 113.372 113.372 113.872 -0.500 19792 9173 1 18 . 1 1 87 87 THR HA H 87 4.339 4.339 4.461 -0.122 19792 9174 1 18 . 1 1 87 87 THR C C 87 171.331 171.331 172.768 -1.437 19792 9175 1 18 . 1 1 87 87 THR CA C 87 58.219 58.219 60.991 -2.772 19792 9176 1 18 . 1 1 87 87 THR CB C 87 67.397 67.397 69.531 -2.134 19792 9177 1 18 . 1 1 87 87 THR H H 87 8.271 8.271 7.434 0.837 19792 9178 1 18 . 1 1 88 88 LYS N N 88 123.502 123.502 121.452 2.050 19792 9179 1 18 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.737 -0.264 19792 9180 1 18 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.730 -2.119 19792 9181 1 18 . 1 1 88 88 LYS CB C 88 29.867 29.867 31.876 -2.009 19792 9182 1 18 . 1 1 88 88 LYS H H 88 8.203 8.203 8.066 0.137 19792 9183 1 18 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.465 -0.271 19792 9184 1 18 . 1 1 89 89 PRO C C 89 173.726 173.726 176.624 -2.898 19792 9185 1 18 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.572 -3.502 19792 9186 1 18 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.122 -2.807 19792 9187 1 18 . 1 1 90 90 SER N N 90 115.260 115.260 112.040 3.220 19792 9188 1 18 . 1 1 90 90 SER HA H 90 4.229 4.229 4.637 -0.408 19792 9189 1 18 . 1 1 90 90 SER C C 90 171.123 171.123 172.349 -1.226 19792 9190 1 18 . 1 1 90 90 SER CA C 90 55.017 55.017 57.821 -2.804 19792 9191 1 18 . 1 1 90 90 SER CB C 90 60.977 60.977 64.702 -3.725 19792 9192 1 18 . 1 1 90 90 SER H H 90 7.991 7.991 7.465 0.526 19792 9193 1 18 . 1 1 91 91 PHE N N 91 121.128 121.128 121.314 -0.186 19792 9194 1 18 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.837 -0.310 19792 9195 1 18 . 1 1 91 91 PHE C C 91 171.798 171.798 174.758 -2.960 19792 9196 1 18 . 1 1 91 91 PHE CA C 91 54.467 54.467 57.435 -2.969 19792 9197 1 18 . 1 1 91 91 PHE CB C 91 37.008 37.008 41.193 -4.184 19792 9198 1 18 . 1 1 91 91 PHE H H 91 8.004 8.004 8.471 -0.467 19792 9199 1 19 . 1 1 2 2 HIS HA H 2 4.596 4.596 5.453 -0.857 19792 9200 1 19 . 1 1 2 2 HIS C C 2 171.930 171.930 174.203 -2.273 19792 9201 1 19 . 1 1 2 2 HIS CA C 2 52.879 52.879 54.845 -1.966 19792 9202 1 19 . 1 1 2 2 HIS CB C 2 27.693 27.693 31.714 -4.021 19792 9203 1 19 . 1 1 3 3 MET N N 3 122.778 122.778 120.269 2.509 19792 9204 1 19 . 1 1 3 3 MET HA H 3 4.365 4.365 4.724 -0.359 19792 9205 1 19 . 1 1 3 3 MET C C 3 173.051 173.051 174.748 -1.697 19792 9206 1 19 . 1 1 3 3 MET CA C 3 52.457 52.457 54.956 -2.499 19792 9207 1 19 . 1 1 3 3 MET CB C 3 30.267 30.267 36.445 -6.178 19792 9208 1 19 . 1 1 3 3 MET H H 3 8.407 8.407 8.659 -0.252 19792 9209 1 19 . 1 1 4 4 VAL N N 4 121.985 121.985 120.214 1.771 19792 9210 1 19 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.236 -0.244 19792 9211 1 19 . 1 1 4 4 VAL C C 4 173.161 173.161 175.810 -2.649 19792 9212 1 19 . 1 1 4 4 VAL CA C 4 59.189 59.189 63.113 -3.924 19792 9213 1 19 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.471 -2.158 19792 9214 1 19 . 1 1 4 4 VAL H H 4 8.170 8.170 8.309 -0.139 19792 9215 1 19 . 1 1 5 5 GLU N N 5 124.990 124.990 121.749 3.241 19792 9216 1 19 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.395 -0.233 19792 9217 1 19 . 1 1 5 5 GLU C C 5 173.208 173.208 176.165 -2.957 19792 9218 1 19 . 1 1 5 5 GLU CA C 5 53.271 53.271 56.206 -2.935 19792 9219 1 19 . 1 1 5 5 GLU CB C 5 27.861 27.861 28.722 -0.861 19792 9220 1 19 . 1 1 5 5 GLU H H 5 8.469 8.469 8.714 -0.245 19792 9221 1 19 . 1 1 6 6 ALA N N 6 124.750 124.750 124.033 0.717 19792 9222 1 19 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.302 -0.167 19792 9223 1 19 . 1 1 6 6 ALA C C 6 174.516 174.516 176.377 -1.861 19792 9224 1 19 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.932 -2.361 19792 9225 1 19 . 1 1 6 6 ALA CB C 6 16.604 16.604 18.215 -1.611 19792 9226 1 19 . 1 1 6 6 ALA H H 6 8.229 8.229 7.263 0.966 19792 9227 1 19 . 1 1 7 7 ASP N N 7 119.477 119.477 122.564 -3.087 19792 9228 1 19 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.834 -0.404 19792 9229 1 19 . 1 1 7 7 ASP C C 7 173.005 173.005 174.968 -1.963 19792 9230 1 19 . 1 1 7 7 ASP CA C 7 51.032 51.032 53.035 -2.003 19792 9231 1 19 . 1 1 7 7 ASP CB C 7 38.658 38.658 43.734 -5.076 19792 9232 1 19 . 1 1 7 7 ASP H H 7 8.172 8.172 7.844 0.328 19792 9233 1 19 . 1 1 8 8 ARG N N 8 121.454 121.454 122.458 -1.004 19792 9234 1 19 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.377 -0.274 19792 9235 1 19 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.063 0.645 19792 9236 1 19 . 1 1 8 8 ARG CB C 8 27.813 27.813 30.405 -2.592 19792 9237 1 19 . 1 1 8 8 ARG H H 8 8.168 8.168 8.228 -0.060 19792 9238 1 19 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.514 -0.101 19792 9239 1 19 . 1 1 9 9 PRO C C 9 174.662 174.662 176.983 -2.321 19792 9240 1 19 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.883 -2.077 19792 9241 1 19 . 1 1 9 9 PRO CB C 9 29.471 29.471 31.540 -2.069 19792 9242 1 19 . 1 1 10 10 GLY N N 10 108.287 108.287 107.604 0.683 19792 9243 1 19 . 1 1 10 10 GLY C C 10 169.715 169.715 173.879 -4.164 19792 9244 1 19 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.403 -2.874 19792 9245 1 19 . 1 1 10 10 GLY H H 10 8.769 8.769 7.420 1.349 19792 9246 1 19 . 1 1 11 11 LYS N N 11 122.177 122.177 119.677 2.500 19792 9247 1 19 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.752 0.112 19792 9248 1 19 . 1 1 11 11 LYS C C 11 172.419 172.419 176.388 -3.969 19792 9249 1 19 . 1 1 11 11 LYS CA C 11 53.417 53.417 56.138 -2.721 19792 9250 1 19 . 1 1 11 11 LYS CB C 11 32.058 32.058 33.784 -1.726 19792 9251 1 19 . 1 1 11 11 LYS H H 11 7.753 7.753 7.797 -0.044 19792 9252 1 19 . 1 1 12 12 LEU N N 12 127.116 127.116 122.995 4.121 19792 9253 1 19 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.815 0.124 19792 9254 1 19 . 1 1 12 12 LEU C C 12 173.185 173.185 176.149 -2.964 19792 9255 1 19 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.388 -3.087 19792 9256 1 19 . 1 1 12 12 LEU CB C 12 42.075 42.075 45.737 -3.662 19792 9257 1 19 . 1 1 12 12 LEU H H 12 9.465 9.465 8.113 1.352 19792 9258 1 19 . 1 1 13 13 PHE N N 13 122.922 122.922 119.714 3.208 19792 9259 1 19 . 1 1 13 13 PHE HA H 13 4.712 4.712 5.004 -0.292 19792 9260 1 19 . 1 1 13 13 PHE C C 13 170.330 170.330 173.126 -2.796 19792 9261 1 19 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.835 -3.794 19792 9262 1 19 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.565 -5.045 19792 9263 1 19 . 1 1 13 13 PHE H H 13 9.213 9.213 8.554 0.659 19792 9264 1 19 . 1 1 14 14 ILE N N 14 128.128 128.128 123.889 4.239 19792 9265 1 19 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.243 -0.428 19792 9266 1 19 . 1 1 14 14 ILE C C 14 171.441 171.441 174.815 -3.374 19792 9267 1 19 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.832 -4.421 19792 9268 1 19 . 1 1 14 14 ILE CB C 14 36.448 36.448 42.218 -5.770 19792 9269 1 19 . 1 1 14 14 ILE H H 14 8.304 8.304 8.214 0.090 19792 9270 1 19 . 1 1 15 15 GLY N N 15 110.945 110.945 113.320 -2.375 19792 9271 1 19 . 1 1 15 15 GLY C C 15 170.863 170.863 173.961 -3.098 19792 9272 1 19 . 1 1 15 15 GLY CA C 15 40.913 40.913 45.594 -4.681 19792 9273 1 19 . 1 1 15 15 GLY H H 15 8.965 8.965 8.714 0.251 19792 9274 1 19 . 1 1 16 16 GLY N N 16 107.025 107.025 110.513 -3.488 19792 9275 1 19 . 1 1 16 16 GLY C C 16 172.134 172.134 173.648 -1.514 19792 9276 1 19 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.747 -2.885 19792 9277 1 19 . 1 1 16 16 GLY H H 16 7.865 7.865 8.537 -0.672 19792 9278 1 19 . 1 1 17 17 LEU N N 17 115.104 115.104 120.016 -4.912 19792 9279 1 19 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.386 -0.474 19792 9280 1 19 . 1 1 17 17 LEU C C 17 176.024 176.024 176.287 -0.263 19792 9281 1 19 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.326 -2.743 19792 9282 1 19 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.874 -2.705 19792 9283 1 19 . 1 1 17 17 LEU H H 17 7.521 7.521 7.947 -0.426 19792 9284 1 19 . 1 1 18 18 ASN N N 18 120.666 120.666 116.509 4.157 19792 9285 1 19 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.692 -0.306 19792 9286 1 19 . 1 1 18 18 ASN C C 18 176.199 176.199 176.490 -0.291 19792 9287 1 19 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.443 -3.141 19792 9288 1 19 . 1 1 18 18 ASN CB C 18 35.692 35.692 39.445 -3.753 19792 9289 1 19 . 1 1 18 18 ASN H H 18 9.528 9.528 8.444 1.084 19792 9290 1 19 . 1 1 19 19 THR N N 19 123.230 123.230 111.578 11.652 19792 9291 1 19 . 1 1 19 19 THR HA H 19 3.699 3.699 4.413 -0.714 19792 9292 1 19 . 1 1 19 19 THR C C 19 172.195 172.195 175.191 -2.996 19792 9293 1 19 . 1 1 19 19 THR CA C 19 62.512 62.512 63.950 -1.438 19792 9294 1 19 . 1 1 19 19 THR CB C 19 65.438 65.438 69.205 -3.767 19792 9295 1 19 . 1 1 19 19 THR H H 19 8.809 8.809 8.543 0.266 19792 9296 1 19 . 1 1 20 20 GLU N N 20 118.055 118.055 119.704 -1.649 19792 9297 1 19 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.526 -0.350 19792 9298 1 19 . 1 1 20 20 GLU C C 20 174.826 174.826 176.386 -1.560 19792 9299 1 19 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.321 -2.140 19792 9300 1 19 . 1 1 20 20 GLU CB C 20 27.076 27.076 30.266 -3.190 19792 9301 1 19 . 1 1 20 20 GLU H H 20 8.703 8.703 8.230 0.473 19792 9302 1 19 . 1 1 21 21 THR N N 21 119.209 119.209 116.665 2.544 19792 9303 1 19 . 1 1 21 21 THR HA H 21 3.930 3.930 4.339 -0.409 19792 9304 1 19 . 1 1 21 21 THR C C 21 171.688 171.688 173.815 -2.127 19792 9305 1 19 . 1 1 21 21 THR CA C 21 61.882 61.882 62.492 -0.610 19792 9306 1 19 . 1 1 21 21 THR CB C 21 65.397 65.397 69.523 -4.126 19792 9307 1 19 . 1 1 21 21 THR H H 21 7.514 7.514 7.966 -0.452 19792 9308 1 19 . 1 1 22 22 ASN N N 22 126.624 126.624 118.837 7.787 19792 9309 1 19 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.988 -0.219 19792 9310 1 19 . 1 1 22 22 ASN C C 22 172.032 172.032 176.336 -4.304 19792 9311 1 19 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.245 -4.540 19792 9312 1 19 . 1 1 22 22 ASN CB C 22 37.373 37.373 40.709 -3.336 19792 9313 1 19 . 1 1 22 22 ASN H H 22 8.031 8.031 8.328 -0.297 19792 9314 1 19 . 1 1 23 23 GLU N N 23 118.056 118.056 122.898 -4.842 19792 9315 1 19 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.874 -0.307 19792 9316 1 19 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.780 -1.996 19792 9317 1 19 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.439 -3.577 19792 9318 1 19 . 1 1 23 23 GLU H H 23 10.151 10.151 8.905 1.246 19792 9319 1 19 . 1 1 24 24 LYS N N 24 118.897 118.897 118.237 0.660 19792 9320 1 19 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.427 -0.422 19792 9321 1 19 . 1 1 24 24 LYS C C 24 176.843 176.843 177.908 -1.065 19792 9322 1 19 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.589 -2.858 19792 9323 1 19 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.423 -2.052 19792 9324 1 19 . 1 1 24 24 LYS H H 24 7.839 7.839 8.346 -0.507 19792 9325 1 19 . 1 1 25 25 ALA N N 25 123.210 123.210 119.701 3.509 19792 9326 1 19 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.393 -0.224 19792 9327 1 19 . 1 1 25 25 ALA C C 25 178.048 178.048 178.454 -0.406 19792 9328 1 19 . 1 1 25 25 ALA CA C 25 51.868 51.868 53.548 -1.680 19792 9329 1 19 . 1 1 25 25 ALA CB C 25 16.139 16.139 19.318 -3.179 19792 9330 1 19 . 1 1 25 25 ALA H H 25 7.827 7.827 7.975 -0.148 19792 9331 1 19 . 1 1 26 26 LEU N N 26 116.466 116.466 120.452 -3.986 19792 9332 1 19 . 1 1 26 26 LEU HA H 26 4.024 4.024 4.030 -0.006 19792 9333 1 19 . 1 1 26 26 LEU C C 26 176.375 176.375 178.733 -2.358 19792 9334 1 19 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.212 -2.254 19792 9335 1 19 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.007 -1.306 19792 9336 1 19 . 1 1 26 26 LEU H H 26 7.652 7.652 7.807 -0.155 19792 9337 1 19 . 1 1 27 27 GLU N N 27 119.789 119.789 119.451 0.338 19792 9338 1 19 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.928 -0.337 19792 9339 1 19 . 1 1 27 27 GLU C C 27 176.206 176.206 178.730 -2.524 19792 9340 1 19 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.941 -2.869 19792 9341 1 19 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.167 -2.100 19792 9342 1 19 . 1 1 27 27 GLU H H 27 8.480 8.480 8.676 -0.196 19792 9343 1 19 . 1 1 28 28 ALA N N 28 120.599 120.599 119.815 0.784 19792 9344 1 19 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.129 -0.090 19792 9345 1 19 . 1 1 28 28 ALA C C 28 177.506 177.506 178.893 -1.387 19792 9346 1 19 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.452 -2.545 19792 9347 1 19 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.480 -3.073 19792 9348 1 19 . 1 1 28 28 ALA H H 28 7.837 7.837 7.667 0.170 19792 9349 1 19 . 1 1 29 29 VAL N N 29 115.536 115.536 118.706 -3.170 19792 9350 1 19 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.576 0.250 19792 9351 1 19 . 1 1 29 29 VAL C C 29 174.998 174.998 177.192 -2.194 19792 9352 1 19 . 1 1 29 29 VAL CA C 29 61.999 61.999 66.227 -4.228 19792 9353 1 19 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.635 -1.757 19792 9354 1 19 . 1 1 29 29 VAL H H 29 7.626 7.626 7.313 0.313 19792 9355 1 19 . 1 1 30 30 PHE N N 30 115.465 115.465 114.064 1.401 19792 9356 1 19 . 1 1 30 30 PHE HA H 30 4.482 4.482 4.991 -0.509 19792 9357 1 19 . 1 1 30 30 PHE C C 30 174.725 174.725 177.199 -2.474 19792 9358 1 19 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.126 1.502 19792 9359 1 19 . 1 1 30 30 PHE CB C 30 35.394 35.394 39.959 -4.565 19792 9360 1 19 . 1 1 30 30 PHE H H 30 8.514 8.514 7.950 0.564 19792 9361 1 19 . 1 1 31 31 GLY N N 31 108.299 108.299 107.230 1.069 19792 9362 1 19 . 1 1 31 31 GLY C C 31 172.455 172.455 174.267 -1.812 19792 9363 1 19 . 1 1 31 31 GLY CA C 31 43.505 43.505 45.198 -1.693 19792 9364 1 19 . 1 1 31 31 GLY H H 31 8.294 8.294 8.477 -0.183 19792 9365 1 19 . 1 1 32 32 LYS N N 32 117.309 117.309 119.089 -1.780 19792 9366 1 19 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.276 -0.350 19792 9367 1 19 . 1 1 32 32 LYS C C 32 174.779 174.779 177.212 -2.433 19792 9368 1 19 . 1 1 32 32 LYS CA C 32 54.700 54.700 56.364 -1.664 19792 9369 1 19 . 1 1 32 32 LYS CB C 32 28.935 28.935 33.061 -4.126 19792 9370 1 19 . 1 1 32 32 LYS H H 32 6.846 6.846 7.905 -1.059 19792 9371 1 19 . 1 1 33 33 TYR N N 33 115.635 115.635 120.975 -5.340 19792 9372 1 19 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.443 -0.326 19792 9373 1 19 . 1 1 33 33 TYR C C 33 171.935 171.935 176.528 -4.593 19792 9374 1 19 . 1 1 33 33 TYR CA C 33 56.609 56.609 59.704 -3.095 19792 9375 1 19 . 1 1 33 33 TYR CB C 33 35.735 35.735 39.396 -3.661 19792 9376 1 19 . 1 1 33 33 TYR H H 33 7.593 7.593 7.615 -0.022 19792 9377 1 19 . 1 1 34 34 GLY N N 34 104.503 104.503 104.632 -0.129 19792 9378 1 19 . 1 1 34 34 GLY C C 34 168.962 168.962 172.757 -3.795 19792 9379 1 19 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.176 -3.613 19792 9380 1 19 . 1 1 34 34 GLY H H 34 7.253 7.253 7.578 -0.325 19792 9381 1 19 . 1 1 35 35 ARG N N 35 116.679 116.679 121.669 -4.990 19792 9382 1 19 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.816 -0.701 19792 9383 1 19 . 1 1 35 35 ARG C C 35 174.272 174.272 175.394 -1.122 19792 9384 1 19 . 1 1 35 35 ARG CA C 35 54.785 54.785 54.602 0.183 19792 9385 1 19 . 1 1 35 35 ARG CB C 35 27.958 27.958 30.734 -2.776 19792 9386 1 19 . 1 1 35 35 ARG H H 35 8.196 8.196 8.997 -0.801 19792 9387 1 19 . 1 1 36 36 ILE N N 36 128.885 128.885 125.311 3.574 19792 9388 1 19 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.083 -0.256 19792 9389 1 19 . 1 1 36 36 ILE C C 36 173.725 173.725 175.996 -2.271 19792 9390 1 19 . 1 1 36 36 ILE CA C 36 57.740 57.740 61.897 -4.157 19792 9391 1 19 . 1 1 36 36 ILE CB C 36 37.006 37.006 38.905 -1.899 19792 9392 1 19 . 1 1 36 36 ILE H H 36 8.760 8.760 8.641 0.119 19792 9393 1 19 . 1 1 37 37 VAL N N 37 122.612 122.612 125.640 -3.028 19792 9394 1 19 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.274 -0.191 19792 9395 1 19 . 1 1 37 37 VAL C C 37 172.917 172.917 174.330 -1.413 19792 9396 1 19 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.773 -2.427 19792 9397 1 19 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.505 -3.130 19792 9398 1 19 . 1 1 37 37 VAL H H 37 8.751 8.751 8.754 -0.003 19792 9399 1 19 . 1 1 38 38 GLU N N 38 118.683 118.683 119.865 -1.182 19792 9400 1 19 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.544 -0.176 19792 9401 1 19 . 1 1 38 38 GLU C C 38 170.647 170.647 174.038 -3.391 19792 9402 1 19 . 1 1 38 38 GLU CA C 38 53.636 53.636 55.850 -2.214 19792 9403 1 19 . 1 1 38 38 GLU CB C 38 31.112 31.112 34.309 -3.196 19792 9404 1 19 . 1 1 38 38 GLU H H 38 7.075 7.075 7.457 -0.382 19792 9405 1 19 . 1 1 39 39 VAL N N 39 125.880 125.880 123.496 2.384 19792 9406 1 19 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.148 0.171 19792 9407 1 19 . 1 1 39 39 VAL C C 39 170.693 170.693 174.255 -3.562 19792 9408 1 19 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.336 -2.280 19792 9409 1 19 . 1 1 39 39 VAL CB C 39 31.077 31.077 32.846 -1.769 19792 9410 1 19 . 1 1 39 39 VAL H H 39 8.509 8.509 8.487 0.022 19792 9411 1 19 . 1 1 40 40 LEU N N 40 129.331 129.331 129.880 -0.549 19792 9412 1 19 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.712 -0.037 19792 9413 1 19 . 1 1 40 40 LEU C C 40 171.627 171.627 174.295 -2.668 19792 9414 1 19 . 1 1 40 40 LEU CA C 40 50.744 50.744 53.918 -3.174 19792 9415 1 19 . 1 1 40 40 LEU CB C 40 42.066 42.066 44.482 -2.416 19792 9416 1 19 . 1 1 40 40 LEU H H 40 8.928 8.928 8.709 0.219 19792 9417 1 19 . 1 1 41 41 LEU N N 41 128.574 128.574 129.414 -0.840 19792 9418 1 19 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.585 -0.245 19792 9419 1 19 . 1 1 41 41 LEU C C 41 172.935 172.935 175.626 -2.691 19792 9420 1 19 . 1 1 41 41 LEU CA C 41 50.876 50.876 53.898 -3.022 19792 9421 1 19 . 1 1 41 41 LEU CB C 41 41.547 41.547 43.666 -2.119 19792 9422 1 19 . 1 1 41 41 LEU H H 41 9.023 9.023 8.424 0.599 19792 9423 1 19 . 1 1 42 42 MET N N 42 125.617 125.617 125.194 0.423 19792 9424 1 19 . 1 1 42 42 MET HA H 42 4.357 4.357 4.477 -0.120 19792 9425 1 19 . 1 1 42 42 MET C C 42 172.606 172.606 175.737 -3.131 19792 9426 1 19 . 1 1 42 42 MET CA C 42 51.857 51.857 53.658 -1.801 19792 9427 1 19 . 1 1 42 42 MET CB C 42 27.700 27.700 32.129 -4.429 19792 9428 1 19 . 1 1 42 42 MET H H 42 7.988 7.988 8.028 -0.040 19792 9429 1 19 . 1 1 43 43 LYS N N 43 121.956 121.956 119.123 2.833 19792 9430 1 19 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.614 0.145 19792 9431 1 19 . 1 1 43 43 LYS C C 43 173.591 173.591 175.705 -2.114 19792 9432 1 19 . 1 1 43 43 LYS CA C 43 51.608 51.608 55.066 -3.458 19792 9433 1 19 . 1 1 43 43 LYS CB C 43 33.447 33.447 36.227 -2.780 19792 9434 1 19 . 1 1 43 43 LYS H H 43 8.289 8.289 8.047 0.242 19792 9435 1 19 . 1 1 44 44 ASP N N 44 123.608 123.608 121.178 2.430 19792 9436 1 19 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.628 -0.157 19792 9437 1 19 . 1 1 44 44 ASP C C 44 174.790 174.790 176.952 -2.162 19792 9438 1 19 . 1 1 44 44 ASP CA C 44 51.279 51.279 54.653 -3.373 19792 9439 1 19 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.907 -2.730 19792 9440 1 19 . 1 1 44 44 ASP H H 44 8.693 8.693 8.824 -0.131 19792 9441 1 19 . 1 1 45 45 ARG N N 45 126.884 126.884 119.139 7.745 19792 9442 1 19 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.470 -0.494 19792 9443 1 19 . 1 1 45 45 ARG C C 45 174.578 174.578 176.535 -1.957 19792 9444 1 19 . 1 1 45 45 ARG CA C 45 55.637 55.637 56.140 -0.503 19792 9445 1 19 . 1 1 45 45 ARG CB C 45 27.544 27.544 29.786 -2.242 19792 9446 1 19 . 1 1 45 45 ARG H H 45 8.875 8.875 8.605 0.270 19792 9447 1 19 . 1 1 46 46 GLU N N 46 117.313 117.313 122.614 -5.301 19792 9448 1 19 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.273 -0.091 19792 9449 1 19 . 1 1 46 46 GLU C C 46 175.625 175.625 177.022 -1.397 19792 9450 1 19 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.525 -2.897 19792 9451 1 19 . 1 1 46 46 GLU CB C 46 27.597 27.597 29.706 -2.109 19792 9452 1 19 . 1 1 46 46 GLU H H 46 8.561 8.561 8.454 0.107 19792 9453 1 19 . 1 1 47 47 THR N N 47 107.019 107.019 111.372 -4.353 19792 9454 1 19 . 1 1 47 47 THR HA H 47 4.277 4.277 4.590 -0.313 19792 9455 1 19 . 1 1 47 47 THR C C 47 173.242 173.242 173.046 0.196 19792 9456 1 19 . 1 1 47 47 THR CA C 47 58.709 58.709 61.232 -2.523 19792 9457 1 19 . 1 1 47 47 THR CB C 47 67.971 67.971 68.656 -0.685 19792 9458 1 19 . 1 1 47 47 THR H H 47 8.053 8.053 7.941 0.112 19792 9459 1 19 . 1 1 48 48 ASN N N 48 117.468 117.468 115.994 1.474 19792 9460 1 19 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.336 -0.001 19792 9461 1 19 . 1 1 48 48 ASN C C 48 171.106 171.106 174.593 -3.487 19792 9462 1 19 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.392 -2.262 19792 9463 1 19 . 1 1 48 48 ASN CB C 48 35.645 35.645 36.968 -1.323 19792 9464 1 19 . 1 1 48 48 ASN H H 48 8.230 8.230 8.420 -0.190 19792 9465 1 19 . 1 1 49 49 LYS N N 49 117.523 117.523 118.628 -1.105 19792 9466 1 19 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.199 0.097 19792 9467 1 19 . 1 1 49 49 LYS C C 49 173.910 173.910 176.900 -2.990 19792 9468 1 19 . 1 1 49 49 LYS CA C 49 52.763 52.763 56.863 -4.100 19792 9469 1 19 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.086 -2.047 19792 9470 1 19 . 1 1 49 49 LYS H H 49 7.517 7.517 7.752 -0.235 19792 9471 1 19 . 1 1 50 50 SER N N 50 115.960 115.960 117.083 -1.123 19792 9472 1 19 . 1 1 50 50 SER HA H 50 4.197 4.197 4.428 -0.231 19792 9473 1 19 . 1 1 50 50 SER C C 50 173.417 173.417 175.426 -2.009 19792 9474 1 19 . 1 1 50 50 SER CA C 50 55.614 55.614 58.769 -3.155 19792 9475 1 19 . 1 1 50 50 SER CB C 50 61.524 61.524 63.709 -2.184 19792 9476 1 19 . 1 1 50 50 SER H H 50 8.705 8.705 8.617 0.088 19792 9477 1 19 . 1 1 51 51 ARG N N 51 124.058 124.058 124.802 -0.744 19792 9478 1 19 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.537 -0.229 19792 9479 1 19 . 1 1 51 51 ARG C C 51 174.657 174.657 176.648 -1.991 19792 9480 1 19 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.450 -2.057 19792 9481 1 19 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.660 -1.881 19792 9482 1 19 . 1 1 51 51 ARG H H 51 9.023 9.023 8.628 0.395 19792 9483 1 19 . 1 1 52 52 GLY N N 52 106.703 106.703 107.462 -0.759 19792 9484 1 19 . 1 1 52 52 GLY C C 52 168.863 168.863 173.721 -4.858 19792 9485 1 19 . 1 1 52 52 GLY CA C 52 42.919 42.919 45.668 -2.749 19792 9486 1 19 . 1 1 52 52 GLY H H 52 9.129 9.129 8.354 0.775 19792 9487 1 19 . 1 1 53 53 PHE N N 53 112.307 112.307 117.803 -5.496 19792 9488 1 19 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.344 -0.101 19792 9489 1 19 . 1 1 53 53 PHE C C 53 169.552 169.552 172.827 -3.275 19792 9490 1 19 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.153 -2.058 19792 9491 1 19 . 1 1 53 53 PHE CB C 53 38.914 38.914 40.619 -1.705 19792 9492 1 19 . 1 1 53 53 PHE H H 53 6.845 6.845 7.385 -0.540 19792 9493 1 19 . 1 1 54 54 ALA N N 54 120.987 120.987 124.716 -3.729 19792 9494 1 19 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.354 0.540 19792 9495 1 19 . 1 1 54 54 ALA C C 54 171.062 171.062 174.261 -3.199 19792 9496 1 19 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.253 -4.204 19792 9497 1 19 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.378 0.449 19792 9498 1 19 . 1 1 54 54 ALA H H 54 8.970 8.970 8.202 0.768 19792 9499 1 19 . 1 1 55 55 PHE N N 55 114.157 114.157 119.551 -5.394 19792 9500 1 19 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.955 0.813 19792 9501 1 19 . 1 1 55 55 PHE C C 55 173.605 173.605 173.115 0.490 19792 9502 1 19 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.493 -3.413 19792 9503 1 19 . 1 1 55 55 PHE CB C 55 40.029 40.029 42.898 -2.869 19792 9504 1 19 . 1 1 55 55 PHE H H 55 8.837 8.837 8.753 0.084 19792 9505 1 19 . 1 1 56 56 VAL N N 56 123.812 123.812 125.234 -1.422 19792 9506 1 19 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.258 0.216 19792 9507 1 19 . 1 1 56 56 VAL C C 56 171.401 171.401 174.070 -2.669 19792 9508 1 19 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.407 -2.558 19792 9509 1 19 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.884 -3.357 19792 9510 1 19 . 1 1 56 56 VAL H H 56 8.558 8.558 7.924 0.634 19792 9511 1 19 . 1 1 57 57 THR N N 57 123.000 123.000 119.040 3.960 19792 9512 1 19 . 1 1 57 57 THR HA H 57 4.974 4.974 4.784 0.190 19792 9513 1 19 . 1 1 57 57 THR C C 57 171.340 171.340 173.176 -1.836 19792 9514 1 19 . 1 1 57 57 THR CA C 57 58.659 58.659 60.997 -2.338 19792 9515 1 19 . 1 1 57 57 THR CB C 57 66.662 66.662 71.198 -4.536 19792 9516 1 19 . 1 1 57 57 THR H H 57 8.808 8.808 8.179 0.629 19792 9517 1 19 . 1 1 58 58 PHE N N 58 128.385 128.385 123.526 4.859 19792 9518 1 19 . 1 1 58 58 PHE HA H 58 4.683 4.683 5.132 -0.449 19792 9519 1 19 . 1 1 58 58 PHE C C 58 172.367 172.367 175.613 -3.246 19792 9520 1 19 . 1 1 58 58 PHE CA C 58 55.449 55.449 56.211 -0.762 19792 9521 1 19 . 1 1 58 58 PHE CB C 58 37.909 37.909 41.435 -3.526 19792 9522 1 19 . 1 1 58 58 PHE H H 58 8.835 8.835 8.502 0.333 19792 9523 1 19 . 1 1 59 59 GLU N N 59 121.627 121.627 124.159 -2.532 19792 9524 1 19 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.155 -0.389 19792 9525 1 19 . 1 1 59 59 GLU C C 59 173.666 173.666 176.849 -3.183 19792 9526 1 19 . 1 1 59 59 GLU CA C 59 56.293 56.293 58.900 -2.607 19792 9527 1 19 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.306 -2.519 19792 9528 1 19 . 1 1 59 59 GLU H H 59 8.067 8.067 8.856 -0.789 19792 9529 1 19 . 1 1 60 60 SER N N 60 112.302 112.302 113.914 -1.612 19792 9530 1 19 . 1 1 60 60 SER HA H 60 5.163 5.163 4.825 0.338 19792 9531 1 19 . 1 1 60 60 SER CA C 60 50.137 50.137 56.021 -5.884 19792 9532 1 19 . 1 1 60 60 SER CB C 60 61.350 61.350 63.679 -2.329 19792 9533 1 19 . 1 1 60 60 SER H H 60 9.333 9.333 7.724 1.609 19792 9534 1 19 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.437 -0.439 19792 9535 1 19 . 1 1 61 61 PRO CA C 61 61.850 61.850 64.719 -2.869 19792 9536 1 19 . 1 1 61 61 PRO CB C 61 29.391 29.391 31.944 -2.553 19792 9537 1 19 . 1 1 62 62 ALA N N 62 121.088 121.088 122.541 -1.453 19792 9538 1 19 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.022 -0.090 19792 9539 1 19 . 1 1 62 62 ALA C C 62 176.826 176.826 179.493 -2.667 19792 9540 1 19 . 1 1 62 62 ALA CA C 62 52.266 52.266 55.327 -3.061 19792 9541 1 19 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.082 -2.464 19792 9542 1 19 . 1 1 62 62 ALA H H 62 7.821 7.821 8.360 -0.539 19792 9543 1 19 . 1 1 63 63 ASP N N 63 120.099 120.099 119.252 0.847 19792 9544 1 19 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.366 -0.274 19792 9545 1 19 . 1 1 63 63 ASP C C 63 174.505 174.505 178.029 -3.524 19792 9546 1 19 . 1 1 63 63 ASP CA C 63 53.809 53.809 57.160 -3.351 19792 9547 1 19 . 1 1 63 63 ASP CB C 63 37.374 37.374 40.065 -2.691 19792 9548 1 19 . 1 1 63 63 ASP H H 63 6.960 6.960 7.946 -0.986 19792 9549 1 19 . 1 1 64 64 ALA N N 64 119.533 119.533 121.123 -1.590 19792 9550 1 19 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.076 0.065 19792 9551 1 19 . 1 1 64 64 ALA C C 64 176.037 176.037 178.827 -2.790 19792 9552 1 19 . 1 1 64 64 ALA CA C 64 51.399 51.399 53.903 -2.504 19792 9553 1 19 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.540 -2.975 19792 9554 1 19 . 1 1 64 64 ALA H H 64 6.771 6.771 7.287 -0.516 19792 9555 1 19 . 1 1 65 65 LYS N N 65 117.395 117.395 119.128 -1.733 19792 9556 1 19 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.824 -0.097 19792 9557 1 19 . 1 1 65 65 LYS C C 65 176.716 176.716 178.903 -2.187 19792 9558 1 19 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.780 -3.096 19792 9559 1 19 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.278 -3.095 19792 9560 1 19 . 1 1 65 65 LYS H H 65 7.478 7.478 7.598 -0.120 19792 9561 1 19 . 1 1 66 66 ASP N N 66 120.839 120.839 119.476 1.363 19792 9562 1 19 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.343 -0.160 19792 9563 1 19 . 1 1 66 66 ASP C C 66 175.111 175.111 177.699 -2.588 19792 9564 1 19 . 1 1 66 66 ASP CA C 66 54.430 54.430 56.725 -2.295 19792 9565 1 19 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.626 -2.905 19792 9566 1 19 . 1 1 66 66 ASP H H 66 7.403 7.403 7.995 -0.592 19792 9567 1 19 . 1 1 67 67 ALA N N 67 122.056 122.056 120.009 2.047 19792 9568 1 19 . 1 1 67 67 ALA HA H 67 2.160 2.160 2.922 -0.762 19792 9569 1 19 . 1 1 67 67 ALA C C 67 176.448 176.448 177.761 -1.313 19792 9570 1 19 . 1 1 67 67 ALA CA C 67 51.299 51.299 53.598 -2.299 19792 9571 1 19 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.254 -1.001 19792 9572 1 19 . 1 1 67 67 ALA H H 67 7.737 7.737 7.643 0.094 19792 9573 1 19 . 1 1 68 68 ALA N N 68 118.624 118.624 117.656 0.968 19792 9574 1 19 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.569 -0.870 19792 9575 1 19 . 1 1 68 68 ALA C C 68 176.619 176.619 177.639 -1.020 19792 9576 1 19 . 1 1 68 68 ALA CA C 68 52.280 52.280 51.957 0.323 19792 9577 1 19 . 1 1 68 68 ALA CB C 68 14.849 14.849 19.510 -4.661 19792 9578 1 19 . 1 1 68 68 ALA H H 68 8.108 8.108 7.170 0.938 19792 9579 1 19 . 1 1 69 69 ARG N N 69 116.265 116.265 117.003 -0.738 19792 9580 1 19 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.435 -0.503 19792 9581 1 19 . 1 1 69 69 ARG C C 69 175.857 175.857 176.618 -0.761 19792 9582 1 19 . 1 1 69 69 ARG CA C 69 55.734 55.734 57.226 -1.492 19792 9583 1 19 . 1 1 69 69 ARG CB C 69 27.249 27.249 31.598 -4.349 19792 9584 1 19 . 1 1 69 69 ARG H H 69 7.599 7.599 7.728 -0.129 19792 9585 1 19 . 1 1 70 70 ASP N N 70 116.202 116.202 119.252 -3.050 19792 9586 1 19 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.705 -0.150 19792 9587 1 19 . 1 1 70 70 ASP C C 70 174.867 174.867 176.212 -1.345 19792 9588 1 19 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.471 -2.156 19792 9589 1 19 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.747 -1.908 19792 9590 1 19 . 1 1 70 70 ASP H H 70 7.657 7.657 8.053 -0.396 19792 9591 1 19 . 1 1 71 71 MET N N 71 111.561 111.561 117.799 -6.238 19792 9592 1 19 . 1 1 71 71 MET HA H 71 4.742 4.742 4.587 0.155 19792 9593 1 19 . 1 1 71 71 MET C C 71 175.174 175.174 175.638 -0.464 19792 9594 1 19 . 1 1 71 71 MET CA C 71 50.378 50.378 55.839 -5.461 19792 9595 1 19 . 1 1 71 71 MET CB C 71 29.047 29.047 33.730 -4.683 19792 9596 1 19 . 1 1 71 71 MET H H 71 8.069 8.069 7.573 0.496 19792 9597 1 19 . 1 1 72 72 ASN N N 72 116.196 116.196 118.232 -2.036 19792 9598 1 19 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.648 -0.367 19792 9599 1 19 . 1 1 72 72 ASN C C 72 173.812 173.812 176.089 -2.277 19792 9600 1 19 . 1 1 72 72 ASN CA C 72 53.826 53.826 54.313 -0.487 19792 9601 1 19 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.392 -2.507 19792 9602 1 19 . 1 1 72 72 ASN H H 72 7.442 7.442 7.945 -0.503 19792 9603 1 19 . 1 1 73 73 GLY N N 73 116.956 116.956 108.888 8.068 19792 9604 1 19 . 1 1 73 73 GLY C C 73 171.629 171.629 174.561 -2.932 19792 9605 1 19 . 1 1 73 73 GLY CA C 73 43.091 43.091 45.673 -2.582 19792 9606 1 19 . 1 1 73 73 GLY H H 73 8.884 8.884 8.885 -0.001 19792 9607 1 19 . 1 1 74 74 LYS N N 74 120.829 120.829 119.750 1.079 19792 9608 1 19 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.469 -0.229 19792 9609 1 19 . 1 1 74 74 LYS C C 74 172.132 172.132 175.507 -3.375 19792 9610 1 19 . 1 1 74 74 LYS CA C 74 52.333 52.333 55.720 -3.387 19792 9611 1 19 . 1 1 74 74 LYS CB C 74 30.131 30.131 33.882 -3.751 19792 9612 1 19 . 1 1 74 74 LYS H H 74 7.797 7.797 7.743 0.054 19792 9613 1 19 . 1 1 75 75 SER N N 75 112.883 112.883 113.717 -0.834 19792 9614 1 19 . 1 1 75 75 SER HA H 75 4.940 4.940 5.153 -0.213 19792 9615 1 19 . 1 1 75 75 SER C C 75 171.838 171.838 172.990 -1.152 19792 9616 1 19 . 1 1 75 75 SER CA C 75 54.722 54.722 56.426 -1.704 19792 9617 1 19 . 1 1 75 75 SER CB C 75 61.242 61.242 65.152 -3.910 19792 9618 1 19 . 1 1 75 75 SER H H 75 8.037 8.037 8.286 -0.249 19792 9619 1 19 . 1 1 76 76 LEU N N 76 127.669 127.669 124.088 3.581 19792 9620 1 19 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.671 -0.235 19792 9621 1 19 . 1 1 76 76 LEU C C 76 173.849 173.849 175.892 -2.043 19792 9622 1 19 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.518 -3.743 19792 9623 1 19 . 1 1 76 76 LEU CB C 76 41.886 41.886 44.495 -2.609 19792 9624 1 19 . 1 1 76 76 LEU H H 76 8.988 8.988 8.538 0.450 19792 9625 1 19 . 1 1 77 77 ASP N N 77 129.054 129.054 126.591 2.463 19792 9626 1 19 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.306 -0.132 19792 9627 1 19 . 1 1 77 77 ASP C C 77 173.415 173.415 176.443 -3.028 19792 9628 1 19 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.480 -2.604 19792 9629 1 19 . 1 1 77 77 ASP CB C 77 36.413 36.413 40.154 -3.741 19792 9630 1 19 . 1 1 77 77 ASP H H 77 9.523 9.523 9.341 0.182 19792 9631 1 19 . 1 1 78 78 GLY N N 78 101.915 101.915 103.193 -1.278 19792 9632 1 19 . 1 1 78 78 GLY C C 78 170.989 170.989 174.096 -3.107 19792 9633 1 19 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.378 -2.609 19792 9634 1 19 . 1 1 78 78 GLY H H 78 8.396 8.396 8.274 0.122 19792 9635 1 19 . 1 1 79 79 LYS N N 79 119.791 119.791 121.320 -1.529 19792 9636 1 19 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.600 -0.054 19792 9637 1 19 . 1 1 79 79 LYS C C 79 171.513 171.513 175.117 -3.604 19792 9638 1 19 . 1 1 79 79 LYS CA C 79 50.277 50.277 53.889 -3.612 19792 9639 1 19 . 1 1 79 79 LYS CB C 79 31.955 31.955 33.247 -1.292 19792 9640 1 19 . 1 1 79 79 LYS H H 79 7.269 7.269 7.852 -0.583 19792 9641 1 19 . 1 1 80 80 ALA N N 80 125.002 125.002 129.857 -4.855 19792 9642 1 19 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.518 -0.153 19792 9643 1 19 . 1 1 80 80 ALA C C 80 175.007 175.007 177.633 -2.626 19792 9644 1 19 . 1 1 80 80 ALA CA C 80 48.381 48.381 51.197 -2.816 19792 9645 1 19 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.275 -3.060 19792 9646 1 19 . 1 1 80 80 ALA H H 80 8.235 8.235 8.797 -0.562 19792 9647 1 19 . 1 1 81 81 ILE N N 81 119.947 119.947 119.749 0.198 19792 9648 1 19 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.131 0.483 19792 9649 1 19 . 1 1 81 81 ILE C C 81 172.389 172.389 174.643 -2.254 19792 9650 1 19 . 1 1 81 81 ILE CA C 81 57.921 57.921 61.864 -3.943 19792 9651 1 19 . 1 1 81 81 ILE CB C 81 37.547 37.547 38.824 -1.277 19792 9652 1 19 . 1 1 81 81 ILE H H 81 8.204 8.204 7.524 0.680 19792 9653 1 19 . 1 1 82 82 LYS N N 82 123.700 123.700 122.524 1.176 19792 9654 1 19 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.629 0.217 19792 9655 1 19 . 1 1 82 82 LYS C C 82 172.571 172.571 175.072 -2.501 19792 9656 1 19 . 1 1 82 82 LYS CA C 82 51.341 51.341 54.753 -3.412 19792 9657 1 19 . 1 1 82 82 LYS CB C 82 31.948 31.948 35.624 -3.676 19792 9658 1 19 . 1 1 82 82 LYS H H 82 8.460 8.460 8.673 -0.213 19792 9659 1 19 . 1 1 83 83 VAL N N 83 123.707 123.707 123.143 0.564 19792 9660 1 19 . 1 1 83 83 VAL HA H 83 5.068 5.068 5.031 0.037 19792 9661 1 19 . 1 1 83 83 VAL C C 83 171.831 171.831 175.290 -3.459 19792 9662 1 19 . 1 1 83 83 VAL CA C 83 57.954 57.954 61.605 -3.651 19792 9663 1 19 . 1 1 83 83 VAL CB C 83 31.979 31.979 34.330 -2.351 19792 9664 1 19 . 1 1 83 83 VAL H H 83 8.653 8.653 8.593 0.060 19792 9665 1 19 . 1 1 84 84 GLU N N 84 123.150 123.150 127.018 -3.868 19792 9666 1 19 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.890 -0.206 19792 9667 1 19 . 1 1 84 84 GLU C C 84 172.141 172.141 174.681 -2.540 19792 9668 1 19 . 1 1 84 84 GLU CA C 84 51.305 51.305 53.969 -2.664 19792 9669 1 19 . 1 1 84 84 GLU CB C 84 31.690 31.690 32.754 -1.063 19792 9670 1 19 . 1 1 84 84 GLU H H 84 8.977 8.977 9.396 -0.419 19792 9671 1 19 . 1 1 85 85 GLN N N 85 121.740 121.740 118.115 3.625 19792 9672 1 19 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.583 -0.334 19792 9673 1 19 . 1 1 85 85 GLN C C 85 173.263 173.263 175.269 -2.006 19792 9674 1 19 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.274 -0.017 19792 9675 1 19 . 1 1 85 85 GLN CB C 85 26.519 26.519 30.307 -3.788 19792 9676 1 19 . 1 1 85 85 GLN H H 85 8.835 8.835 8.668 0.167 19792 9677 1 19 . 1 1 86 86 ALA N N 86 127.885 127.885 129.545 -1.660 19792 9678 1 19 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.297 0.137 19792 9679 1 19 . 1 1 86 86 ALA C C 86 174.487 174.487 176.830 -2.343 19792 9680 1 19 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.481 -2.465 19792 9681 1 19 . 1 1 86 86 ALA CB C 86 16.340 16.340 17.860 -1.520 19792 9682 1 19 . 1 1 86 86 ALA H H 86 8.608 8.608 8.880 -0.272 19792 9683 1 19 . 1 1 87 87 THR N N 87 113.372 113.372 116.476 -3.104 19792 9684 1 19 . 1 1 87 87 THR HA H 87 4.339 4.339 4.700 -0.361 19792 9685 1 19 . 1 1 87 87 THR C C 87 171.331 171.331 172.940 -1.609 19792 9686 1 19 . 1 1 87 87 THR CA C 87 58.219 58.219 61.394 -3.175 19792 9687 1 19 . 1 1 87 87 THR CB C 87 67.397 67.397 70.398 -3.001 19792 9688 1 19 . 1 1 87 87 THR H H 87 8.271 8.271 7.891 0.380 19792 9689 1 19 . 1 1 88 88 LYS N N 88 123.502 123.502 121.150 2.352 19792 9690 1 19 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.782 -0.309 19792 9691 1 19 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.199 -1.588 19792 9692 1 19 . 1 1 88 88 LYS CB C 88 29.867 29.867 32.026 -2.159 19792 9693 1 19 . 1 1 88 88 LYS H H 88 8.203 8.203 8.270 -0.067 19792 9694 1 19 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.366 -0.172 19792 9695 1 19 . 1 1 89 89 PRO C C 89 173.726 173.726 177.713 -3.987 19792 9696 1 19 . 1 1 89 89 PRO CA C 89 60.070 60.070 64.323 -4.253 19792 9697 1 19 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.141 -2.826 19792 9698 1 19 . 1 1 90 90 SER N N 90 115.260 115.260 116.860 -1.600 19792 9699 1 19 . 1 1 90 90 SER HA H 90 4.229 4.229 4.336 -0.107 19792 9700 1 19 . 1 1 90 90 SER C C 90 171.123 171.123 172.842 -1.719 19792 9701 1 19 . 1 1 90 90 SER CA C 90 55.017 55.017 59.296 -4.279 19792 9702 1 19 . 1 1 90 90 SER CB C 90 60.977 60.977 61.802 -0.825 19792 9703 1 19 . 1 1 90 90 SER H H 90 7.991 7.991 8.183 -0.192 19792 9704 1 19 . 1 1 91 91 PHE N N 91 121.128 121.128 124.914 -3.786 19792 9705 1 19 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.539 -0.012 19792 9706 1 19 . 1 1 91 91 PHE C C 91 171.798 171.798 173.863 -2.065 19792 9707 1 19 . 1 1 91 91 PHE CA C 91 54.467 54.467 56.565 -2.098 19792 9708 1 19 . 1 1 91 91 PHE CB C 91 37.008 37.008 39.934 -2.925 19792 9709 1 19 . 1 1 91 91 PHE H H 91 8.004 8.004 7.877 0.127 19792 9710 1 20 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.782 -0.186 19792 9711 1 20 . 1 1 2 2 HIS C C 2 171.930 171.930 174.299 -2.369 19792 9712 1 20 . 1 1 2 2 HIS CA C 2 52.879 52.879 55.630 -2.751 19792 9713 1 20 . 1 1 2 2 HIS CB C 2 27.693 27.693 29.134 -1.441 19792 9714 1 20 . 1 1 3 3 MET N N 3 122.778 122.778 121.447 1.331 19792 9715 1 20 . 1 1 3 3 MET HA H 3 4.365 4.365 4.563 -0.198 19792 9716 1 20 . 1 1 3 3 MET C C 3 173.051 173.051 175.765 -2.714 19792 9717 1 20 . 1 1 3 3 MET CA C 3 52.457 52.457 55.389 -2.932 19792 9718 1 20 . 1 1 3 3 MET CB C 3 30.267 30.267 33.443 -3.176 19792 9719 1 20 . 1 1 3 3 MET H H 3 8.407 8.407 8.155 0.252 19792 9720 1 20 . 1 1 4 4 VAL N N 4 121.985 121.985 120.783 1.202 19792 9721 1 20 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.210 -0.218 19792 9722 1 20 . 1 1 4 4 VAL C C 4 173.161 173.161 174.413 -1.252 19792 9723 1 20 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.362 -3.173 19792 9724 1 20 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.282 -1.969 19792 9725 1 20 . 1 1 4 4 VAL H H 4 8.170 8.170 8.333 -0.163 19792 9726 1 20 . 1 1 5 5 GLU N N 5 124.990 124.990 121.225 3.765 19792 9727 1 20 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.553 -0.391 19792 9728 1 20 . 1 1 5 5 GLU C C 5 173.208 173.208 175.652 -2.444 19792 9729 1 20 . 1 1 5 5 GLU CA C 5 53.271 53.271 55.593 -2.322 19792 9730 1 20 . 1 1 5 5 GLU CB C 5 27.861 27.861 29.246 -1.385 19792 9731 1 20 . 1 1 5 5 GLU H H 5 8.469 8.469 8.010 0.459 19792 9732 1 20 . 1 1 6 6 ALA N N 6 124.750 124.750 124.237 0.513 19792 9733 1 20 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.622 -0.487 19792 9734 1 20 . 1 1 6 6 ALA C C 6 174.516 174.516 176.595 -2.079 19792 9735 1 20 . 1 1 6 6 ALA CA C 6 49.571 49.571 52.404 -2.833 19792 9736 1 20 . 1 1 6 6 ALA CB C 6 16.604 16.604 19.619 -3.014 19792 9737 1 20 . 1 1 6 6 ALA H H 6 8.229 8.229 8.283 -0.054 19792 9738 1 20 . 1 1 7 7 ASP N N 7 119.477 119.477 118.365 1.112 19792 9739 1 20 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.675 -0.245 19792 9740 1 20 . 1 1 7 7 ASP C C 7 173.005 173.005 175.316 -2.311 19792 9741 1 20 . 1 1 7 7 ASP CA C 7 51.032 51.032 53.908 -2.876 19792 9742 1 20 . 1 1 7 7 ASP CB C 7 38.658 38.658 41.207 -2.549 19792 9743 1 20 . 1 1 7 7 ASP H H 7 8.172 8.172 8.156 0.016 19792 9744 1 20 . 1 1 8 8 ARG N N 8 121.454 121.454 120.393 1.061 19792 9745 1 20 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.168 -0.065 19792 9746 1 20 . 1 1 8 8 ARG CA C 8 54.708 54.708 56.238 -1.530 19792 9747 1 20 . 1 1 8 8 ARG CB C 8 27.813 27.813 29.477 -1.663 19792 9748 1 20 . 1 1 8 8 ARG H H 8 8.168 8.168 8.552 -0.384 19792 9749 1 20 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.523 -0.110 19792 9750 1 20 . 1 1 9 9 PRO C C 9 174.662 174.662 177.221 -2.559 19792 9751 1 20 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.950 -2.144 19792 9752 1 20 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.740 -1.269 19792 9753 1 20 . 1 1 10 10 GLY N N 10 108.287 108.287 109.838 -1.551 19792 9754 1 20 . 1 1 10 10 GLY C C 10 169.715 169.715 173.170 -3.455 19792 9755 1 20 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.348 -2.819 19792 9756 1 20 . 1 1 10 10 GLY H H 10 8.769 8.769 8.417 0.352 19792 9757 1 20 . 1 1 11 11 LYS N N 11 122.177 122.177 119.361 2.816 19792 9758 1 20 . 1 1 11 11 LYS HA H 11 4.864 4.864 5.084 -0.220 19792 9759 1 20 . 1 1 11 11 LYS C C 11 172.419 172.419 175.355 -2.936 19792 9760 1 20 . 1 1 11 11 LYS CA C 11 53.417 53.417 55.653 -2.236 19792 9761 1 20 . 1 1 11 11 LYS CB C 11 32.058 32.058 36.559 -4.501 19792 9762 1 20 . 1 1 11 11 LYS H H 11 7.753 7.753 7.429 0.324 19792 9763 1 20 . 1 1 12 12 LEU N N 12 127.116 127.116 121.489 5.627 19792 9764 1 20 . 1 1 12 12 LEU HA H 12 4.939 4.939 5.085 -0.146 19792 9765 1 20 . 1 1 12 12 LEU C C 12 173.185 173.185 175.918 -2.733 19792 9766 1 20 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.232 -2.931 19792 9767 1 20 . 1 1 12 12 LEU CB C 12 42.075 42.075 45.850 -3.775 19792 9768 1 20 . 1 1 12 12 LEU H H 12 9.465 9.465 8.577 0.888 19792 9769 1 20 . 1 1 13 13 PHE N N 13 122.922 122.922 121.095 1.827 19792 9770 1 20 . 1 1 13 13 PHE HA H 13 4.712 4.712 5.053 -0.341 19792 9771 1 20 . 1 1 13 13 PHE C C 13 170.330 170.330 173.445 -3.115 19792 9772 1 20 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.033 -2.992 19792 9773 1 20 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.476 -4.956 19792 9774 1 20 . 1 1 13 13 PHE H H 13 9.213 9.213 8.937 0.276 19792 9775 1 20 . 1 1 14 14 ILE N N 14 128.128 128.128 127.108 1.020 19792 9776 1 20 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.203 -0.388 19792 9777 1 20 . 1 1 14 14 ILE C C 14 171.441 171.441 174.251 -2.810 19792 9778 1 20 . 1 1 14 14 ILE CA C 14 55.411 55.411 60.185 -4.774 19792 9779 1 20 . 1 1 14 14 ILE CB C 14 36.448 36.448 41.169 -4.721 19792 9780 1 20 . 1 1 14 14 ILE H H 14 8.304 8.304 7.695 0.609 19792 9781 1 20 . 1 1 15 15 GLY N N 15 110.945 110.945 113.093 -2.148 19792 9782 1 20 . 1 1 15 15 GLY C C 15 170.863 170.863 173.590 -2.727 19792 9783 1 20 . 1 1 15 15 GLY CA C 15 40.913 40.913 43.828 -2.916 19792 9784 1 20 . 1 1 15 15 GLY H H 15 8.965 8.965 8.513 0.452 19792 9785 1 20 . 1 1 16 16 GLY N N 16 107.025 107.025 109.737 -2.712 19792 9786 1 20 . 1 1 16 16 GLY C C 16 172.134 172.134 174.287 -2.153 19792 9787 1 20 . 1 1 16 16 GLY CA C 16 42.862 42.862 44.818 -1.956 19792 9788 1 20 . 1 1 16 16 GLY H H 16 7.865 7.865 8.728 -0.863 19792 9789 1 20 . 1 1 17 17 LEU N N 17 115.104 115.104 119.736 -4.632 19792 9790 1 20 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.276 -0.364 19792 9791 1 20 . 1 1 17 17 LEU C C 17 176.024 176.024 176.703 -0.679 19792 9792 1 20 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.540 -2.957 19792 9793 1 20 . 1 1 17 17 LEU CB C 17 40.169 40.169 41.737 -1.568 19792 9794 1 20 . 1 1 17 17 LEU H H 17 7.521 7.521 7.630 -0.109 19792 9795 1 20 . 1 1 18 18 ASN N N 18 120.666 120.666 116.767 3.899 19792 9796 1 20 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.764 -0.378 19792 9797 1 20 . 1 1 18 18 ASN C C 18 176.199 176.199 175.572 0.627 19792 9798 1 20 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.097 -2.796 19792 9799 1 20 . 1 1 18 18 ASN CB C 18 35.692 35.692 40.263 -4.571 19792 9800 1 20 . 1 1 18 18 ASN H H 18 9.528 9.528 8.557 0.971 19792 9801 1 20 . 1 1 19 19 THR N N 19 123.230 123.230 109.235 13.995 19792 9802 1 20 . 1 1 19 19 THR HA H 19 3.699 3.699 4.592 -0.893 19792 9803 1 20 . 1 1 19 19 THR C C 19 172.195 172.195 174.343 -2.148 19792 9804 1 20 . 1 1 19 19 THR CA C 19 62.512 62.512 62.922 -0.410 19792 9805 1 20 . 1 1 19 19 THR CB C 19 65.438 65.438 69.429 -3.991 19792 9806 1 20 . 1 1 19 19 THR H H 19 8.809 8.809 8.307 0.502 19792 9807 1 20 . 1 1 20 20 GLU N N 20 118.055 118.055 120.638 -2.583 19792 9808 1 20 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.569 -0.393 19792 9809 1 20 . 1 1 20 20 GLU C C 20 174.826 174.826 175.866 -1.040 19792 9810 1 20 . 1 1 20 20 GLU CA C 20 53.181 53.181 54.865 -1.684 19792 9811 1 20 . 1 1 20 20 GLU CB C 20 27.076 27.076 30.421 -3.345 19792 9812 1 20 . 1 1 20 20 GLU H H 20 8.703 8.703 8.300 0.403 19792 9813 1 20 . 1 1 21 21 THR N N 21 119.209 119.209 115.976 3.233 19792 9814 1 20 . 1 1 21 21 THR HA H 21 3.930 3.930 4.343 -0.413 19792 9815 1 20 . 1 1 21 21 THR C C 21 171.688 171.688 173.549 -1.861 19792 9816 1 20 . 1 1 21 21 THR CA C 21 61.882 61.882 62.676 -0.794 19792 9817 1 20 . 1 1 21 21 THR CB C 21 65.397 65.397 69.806 -4.409 19792 9818 1 20 . 1 1 21 21 THR H H 21 7.514 7.514 8.107 -0.593 19792 9819 1 20 . 1 1 22 22 ASN N N 22 126.624 126.624 118.891 7.733 19792 9820 1 20 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.830 -0.061 19792 9821 1 20 . 1 1 22 22 ASN C C 22 172.032 172.032 176.115 -4.083 19792 9822 1 20 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.120 -4.414 19792 9823 1 20 . 1 1 22 22 ASN CB C 22 37.373 37.373 42.255 -4.883 19792 9824 1 20 . 1 1 22 22 ASN H H 22 8.031 8.031 8.318 -0.287 19792 9825 1 20 . 1 1 23 23 GLU N N 23 118.056 118.056 122.474 -4.418 19792 9826 1 20 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.845 -0.278 19792 9827 1 20 . 1 1 23 23 GLU CA C 23 58.784 58.784 61.101 -2.317 19792 9828 1 20 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.431 -3.569 19792 9829 1 20 . 1 1 23 23 GLU H H 23 10.151 10.151 8.877 1.274 19792 9830 1 20 . 1 1 24 24 LYS N N 24 118.897 118.897 117.290 1.607 19792 9831 1 20 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.334 -0.329 19792 9832 1 20 . 1 1 24 24 LYS C C 24 176.843 176.843 178.153 -1.310 19792 9833 1 20 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.842 -3.111 19792 9834 1 20 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.776 -2.405 19792 9835 1 20 . 1 1 24 24 LYS H H 24 7.839 7.839 8.393 -0.554 19792 9836 1 20 . 1 1 25 25 ALA N N 25 123.210 123.210 122.053 1.157 19792 9837 1 20 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.089 0.080 19792 9838 1 20 . 1 1 25 25 ALA C C 25 178.048 178.048 179.349 -1.301 19792 9839 1 20 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.269 -2.401 19792 9840 1 20 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.624 -2.485 19792 9841 1 20 . 1 1 25 25 ALA H H 25 7.827 7.827 7.371 0.456 19792 9842 1 20 . 1 1 26 26 LEU N N 26 116.466 116.466 119.636 -3.170 19792 9843 1 20 . 1 1 26 26 LEU HA H 26 4.024 4.024 3.790 0.234 19792 9844 1 20 . 1 1 26 26 LEU C C 26 176.375 176.375 179.058 -2.683 19792 9845 1 20 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.936 -2.978 19792 9846 1 20 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.770 -2.069 19792 9847 1 20 . 1 1 26 26 LEU H H 26 7.652 7.652 7.671 -0.019 19792 9848 1 20 . 1 1 27 27 GLU N N 27 119.789 119.789 118.053 1.736 19792 9849 1 20 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.836 -0.245 19792 9850 1 20 . 1 1 27 27 GLU C C 27 176.206 176.206 178.605 -2.399 19792 9851 1 20 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.640 -2.568 19792 9852 1 20 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.221 -2.154 19792 9853 1 20 . 1 1 27 27 GLU H H 27 8.480 8.480 8.152 0.328 19792 9854 1 20 . 1 1 28 28 ALA N N 28 120.599 120.599 118.894 1.705 19792 9855 1 20 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.322 -0.283 19792 9856 1 20 . 1 1 28 28 ALA C C 28 177.506 177.506 178.462 -0.956 19792 9857 1 20 . 1 1 28 28 ALA CA C 28 51.907 51.907 53.489 -1.582 19792 9858 1 20 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.616 -3.209 19792 9859 1 20 . 1 1 28 28 ALA H H 28 7.837 7.837 7.545 0.292 19792 9860 1 20 . 1 1 29 29 VAL N N 29 115.536 115.536 118.238 -2.702 19792 9861 1 20 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.734 0.092 19792 9862 1 20 . 1 1 29 29 VAL C C 29 174.998 174.998 177.208 -2.210 19792 9863 1 20 . 1 1 29 29 VAL CA C 29 61.999 61.999 65.368 -3.369 19792 9864 1 20 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.529 -1.651 19792 9865 1 20 . 1 1 29 29 VAL H H 29 7.626 7.626 7.489 0.137 19792 9866 1 20 . 1 1 30 30 PHE N N 30 115.465 115.465 116.094 -0.629 19792 9867 1 20 . 1 1 30 30 PHE HA H 30 4.482 4.482 5.047 -0.565 19792 9868 1 20 . 1 1 30 30 PHE C C 30 174.725 174.725 177.071 -2.346 19792 9869 1 20 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.785 0.843 19792 9870 1 20 . 1 1 30 30 PHE CB C 30 35.394 35.394 40.388 -4.994 19792 9871 1 20 . 1 1 30 30 PHE H H 30 8.514 8.514 7.995 0.519 19792 9872 1 20 . 1 1 31 31 GLY N N 31 108.299 108.299 107.977 0.322 19792 9873 1 20 . 1 1 31 31 GLY C C 31 172.455 172.455 174.173 -1.718 19792 9874 1 20 . 1 1 31 31 GLY CA C 31 43.505 43.505 45.827 -2.322 19792 9875 1 20 . 1 1 31 31 GLY H H 31 8.294 8.294 8.486 -0.192 19792 9876 1 20 . 1 1 32 32 LYS N N 32 117.309 117.309 118.890 -1.581 19792 9877 1 20 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.394 -0.468 19792 9878 1 20 . 1 1 32 32 LYS C C 32 174.779 174.779 175.799 -1.020 19792 9879 1 20 . 1 1 32 32 LYS CA C 32 54.700 54.700 56.345 -1.645 19792 9880 1 20 . 1 1 32 32 LYS CB C 32 28.935 28.935 32.788 -3.853 19792 9881 1 20 . 1 1 32 32 LYS H H 32 6.846 6.846 7.787 -0.941 19792 9882 1 20 . 1 1 33 33 TYR N N 33 115.635 115.635 119.169 -3.534 19792 9883 1 20 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.696 -0.579 19792 9884 1 20 . 1 1 33 33 TYR C C 33 171.935 171.935 175.275 -3.340 19792 9885 1 20 . 1 1 33 33 TYR CA C 33 56.609 56.609 57.615 -1.006 19792 9886 1 20 . 1 1 33 33 TYR CB C 33 35.735 35.735 40.169 -4.434 19792 9887 1 20 . 1 1 33 33 TYR H H 33 7.593 7.593 8.118 -0.525 19792 9888 1 20 . 1 1 34 34 GLY N N 34 104.503 104.503 106.893 -2.390 19792 9889 1 20 . 1 1 34 34 GLY C C 34 168.962 168.962 172.731 -3.769 19792 9890 1 20 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.712 -4.149 19792 9891 1 20 . 1 1 34 34 GLY H H 34 7.253 7.253 7.845 -0.592 19792 9892 1 20 . 1 1 35 35 ARG N N 35 116.679 116.679 120.194 -3.515 19792 9893 1 20 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.725 -0.610 19792 9894 1 20 . 1 1 35 35 ARG C C 35 174.272 174.272 174.288 -0.016 19792 9895 1 20 . 1 1 35 35 ARG CA C 35 54.785 54.785 55.324 -0.539 19792 9896 1 20 . 1 1 35 35 ARG CB C 35 27.958 27.958 31.705 -3.747 19792 9897 1 20 . 1 1 35 35 ARG H H 35 8.196 8.196 9.174 -0.978 19792 9898 1 20 . 1 1 36 36 ILE N N 36 128.885 128.885 123.576 5.309 19792 9899 1 20 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.178 -0.351 19792 9900 1 20 . 1 1 36 36 ILE C C 36 173.725 173.725 175.762 -2.037 19792 9901 1 20 . 1 1 36 36 ILE CA C 36 57.740 57.740 61.164 -3.424 19792 9902 1 20 . 1 1 36 36 ILE CB C 36 37.006 37.006 39.642 -2.636 19792 9903 1 20 . 1 1 36 36 ILE H H 36 8.760 8.760 8.577 0.183 19792 9904 1 20 . 1 1 37 37 VAL N N 37 122.612 122.612 124.456 -1.844 19792 9905 1 20 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.258 -0.175 19792 9906 1 20 . 1 1 37 37 VAL C C 37 172.917 172.917 174.527 -1.610 19792 9907 1 20 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.733 -2.386 19792 9908 1 20 . 1 1 37 37 VAL CB C 37 30.375 30.375 32.674 -2.299 19792 9909 1 20 . 1 1 37 37 VAL H H 37 8.751 8.751 8.488 0.263 19792 9910 1 20 . 1 1 38 38 GLU N N 38 118.683 118.683 120.864 -2.181 19792 9911 1 20 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.394 -0.026 19792 9912 1 20 . 1 1 38 38 GLU C C 38 170.647 170.647 173.863 -3.216 19792 9913 1 20 . 1 1 38 38 GLU CA C 38 53.636 53.636 56.274 -2.638 19792 9914 1 20 . 1 1 38 38 GLU CB C 38 31.112 31.112 32.283 -1.171 19792 9915 1 20 . 1 1 38 38 GLU H H 38 7.075 7.075 7.885 -0.810 19792 9916 1 20 . 1 1 39 39 VAL N N 39 125.880 125.880 125.771 0.109 19792 9917 1 20 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.158 0.161 19792 9918 1 20 . 1 1 39 39 VAL C C 39 170.693 170.693 174.253 -3.560 19792 9919 1 20 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.103 -2.047 19792 9920 1 20 . 1 1 39 39 VAL CB C 39 31.077 31.077 32.739 -1.662 19792 9921 1 20 . 1 1 39 39 VAL H H 39 8.509 8.509 8.355 0.154 19792 9922 1 20 . 1 1 40 40 LEU N N 40 129.331 129.331 130.526 -1.195 19792 9923 1 20 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.675 -0.000 19792 9924 1 20 . 1 1 40 40 LEU C C 40 171.627 171.627 174.438 -2.811 19792 9925 1 20 . 1 1 40 40 LEU CA C 40 50.744 50.744 54.330 -3.586 19792 9926 1 20 . 1 1 40 40 LEU CB C 40 42.066 42.066 43.824 -1.758 19792 9927 1 20 . 1 1 40 40 LEU H H 40 8.928 8.928 8.153 0.775 19792 9928 1 20 . 1 1 41 41 LEU N N 41 128.574 128.574 125.239 3.335 19792 9929 1 20 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.536 -0.196 19792 9930 1 20 . 1 1 41 41 LEU C C 41 172.935 172.935 176.132 -3.197 19792 9931 1 20 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.151 -3.276 19792 9932 1 20 . 1 1 41 41 LEU CB C 41 41.547 41.547 44.440 -2.893 19792 9933 1 20 . 1 1 41 41 LEU H H 41 9.023 9.023 8.426 0.597 19792 9934 1 20 . 1 1 42 42 MET N N 42 125.617 125.617 126.297 -0.680 19792 9935 1 20 . 1 1 42 42 MET HA H 42 4.357 4.357 4.394 -0.036 19792 9936 1 20 . 1 1 42 42 MET C C 42 172.606 172.606 175.454 -2.848 19792 9937 1 20 . 1 1 42 42 MET CA C 42 51.857 51.857 54.444 -2.587 19792 9938 1 20 . 1 1 42 42 MET CB C 42 27.700 27.700 31.964 -4.264 19792 9939 1 20 . 1 1 42 42 MET H H 42 7.988 7.988 8.072 -0.084 19792 9940 1 20 . 1 1 43 43 LYS N N 43 121.956 121.956 120.490 1.466 19792 9941 1 20 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.735 0.024 19792 9942 1 20 . 1 1 43 43 LYS C C 43 173.591 173.591 175.410 -1.819 19792 9943 1 20 . 1 1 43 43 LYS CA C 43 51.608 51.608 54.885 -3.277 19792 9944 1 20 . 1 1 43 43 LYS CB C 43 33.447 33.447 36.445 -2.998 19792 9945 1 20 . 1 1 43 43 LYS H H 43 8.289 8.289 8.218 0.071 19792 9946 1 20 . 1 1 44 44 ASP N N 44 123.608 123.608 123.784 -0.176 19792 9947 1 20 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.838 -0.367 19792 9948 1 20 . 1 1 44 44 ASP C C 44 174.790 174.790 176.590 -1.800 19792 9949 1 20 . 1 1 44 44 ASP CA C 44 51.279 51.279 52.867 -1.587 19792 9950 1 20 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.985 -2.808 19792 9951 1 20 . 1 1 44 44 ASP H H 44 8.693 8.693 8.868 -0.175 19792 9952 1 20 . 1 1 45 45 ARG N N 45 126.884 126.884 125.010 1.874 19792 9953 1 20 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.099 -0.123 19792 9954 1 20 . 1 1 45 45 ARG C C 45 174.578 174.578 177.414 -2.836 19792 9955 1 20 . 1 1 45 45 ARG CA C 45 55.637 55.637 58.169 -2.532 19792 9956 1 20 . 1 1 45 45 ARG CB C 45 27.544 27.544 29.284 -1.740 19792 9957 1 20 . 1 1 45 45 ARG H H 45 8.875 8.875 8.757 0.118 19792 9958 1 20 . 1 1 46 46 GLU N N 46 117.313 117.313 120.596 -3.283 19792 9959 1 20 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.213 -0.031 19792 9960 1 20 . 1 1 46 46 GLU C C 46 175.625 175.625 177.431 -1.806 19792 9961 1 20 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.743 -3.115 19792 9962 1 20 . 1 1 46 46 GLU CB C 46 27.597 27.597 29.943 -2.346 19792 9963 1 20 . 1 1 46 46 GLU H H 46 8.561 8.561 8.488 0.073 19792 9964 1 20 . 1 1 47 47 THR N N 47 107.019 107.019 110.620 -3.601 19792 9965 1 20 . 1 1 47 47 THR HA H 47 4.277 4.277 4.384 -0.107 19792 9966 1 20 . 1 1 47 47 THR C C 47 173.242 173.242 173.871 -0.629 19792 9967 1 20 . 1 1 47 47 THR CA C 47 58.709 58.709 62.216 -3.507 19792 9968 1 20 . 1 1 47 47 THR CB C 47 67.971 67.971 68.751 -0.780 19792 9969 1 20 . 1 1 47 47 THR H H 47 8.053 8.053 7.877 0.176 19792 9970 1 20 . 1 1 48 48 ASN N N 48 117.468 117.468 118.421 -0.953 19792 9971 1 20 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.244 0.091 19792 9972 1 20 . 1 1 48 48 ASN C C 48 171.106 171.106 174.643 -3.537 19792 9973 1 20 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.774 -2.644 19792 9974 1 20 . 1 1 48 48 ASN CB C 48 35.645 35.645 38.131 -2.486 19792 9975 1 20 . 1 1 48 48 ASN H H 48 8.230 8.230 8.129 0.101 19792 9976 1 20 . 1 1 49 49 LYS N N 49 117.523 117.523 117.952 -0.429 19792 9977 1 20 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.074 0.222 19792 9978 1 20 . 1 1 49 49 LYS C C 49 173.910 173.910 176.321 -2.411 19792 9979 1 20 . 1 1 49 49 LYS CA C 49 52.763 52.763 57.758 -4.995 19792 9980 1 20 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.321 -2.281 19792 9981 1 20 . 1 1 49 49 LYS H H 49 7.517 7.517 7.964 -0.447 19792 9982 1 20 . 1 1 50 50 SER N N 50 115.960 115.960 115.962 -0.002 19792 9983 1 20 . 1 1 50 50 SER HA H 50 4.197 4.197 4.696 -0.499 19792 9984 1 20 . 1 1 50 50 SER C C 50 173.417 173.417 174.341 -0.924 19792 9985 1 20 . 1 1 50 50 SER CA C 50 55.614 55.614 57.640 -2.026 19792 9986 1 20 . 1 1 50 50 SER CB C 50 61.524 61.524 64.314 -2.790 19792 9987 1 20 . 1 1 50 50 SER H H 50 8.705 8.705 8.472 0.233 19792 9988 1 20 . 1 1 51 51 ARG N N 51 124.058 124.058 120.539 3.519 19792 9989 1 20 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.696 -0.388 19792 9990 1 20 . 1 1 51 51 ARG C C 51 174.657 174.657 177.081 -2.424 19792 9991 1 20 . 1 1 51 51 ARG CA C 51 53.393 53.393 53.946 -0.553 19792 9992 1 20 . 1 1 51 51 ARG CB C 51 28.779 28.779 32.158 -3.379 19792 9993 1 20 . 1 1 51 51 ARG H H 51 9.023 9.023 8.075 0.948 19792 9994 1 20 . 1 1 52 52 GLY N N 52 106.703 106.703 109.261 -2.558 19792 9995 1 20 . 1 1 52 52 GLY C C 52 168.863 168.863 172.952 -4.089 19792 9996 1 20 . 1 1 52 52 GLY CA C 52 42.919 42.919 45.072 -2.154 19792 9997 1 20 . 1 1 52 52 GLY H H 52 9.129 9.129 9.008 0.121 19792 9998 1 20 . 1 1 53 53 PHE N N 53 112.307 112.307 116.070 -3.763 19792 9999 1 20 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.502 -0.259 19792 10000 1 20 . 1 1 53 53 PHE C C 53 169.552 169.552 172.667 -3.115 19792 10001 1 20 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.796 -2.701 19792 10002 1 20 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.020 -2.107 19792 10003 1 20 . 1 1 53 53 PHE H H 53 6.845 6.845 7.529 -0.684 19792 10004 1 20 . 1 1 54 54 ALA N N 54 120.987 120.987 121.699 -0.712 19792 10005 1 20 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.549 0.345 19792 10006 1 20 . 1 1 54 54 ALA C C 54 171.062 171.062 174.299 -3.237 19792 10007 1 20 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.573 -4.524 19792 10008 1 20 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.679 0.147 19792 10009 1 20 . 1 1 54 54 ALA H H 54 8.970 8.970 8.752 0.218 19792 10010 1 20 . 1 1 55 55 PHE N N 55 114.157 114.157 119.223 -5.066 19792 10011 1 20 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.858 0.910 19792 10012 1 20 . 1 1 55 55 PHE C C 55 173.605 173.605 173.049 0.556 19792 10013 1 20 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.274 -3.194 19792 10014 1 20 . 1 1 55 55 PHE CB C 55 40.029 40.029 43.278 -3.249 19792 10015 1 20 . 1 1 55 55 PHE H H 55 8.837 8.837 8.402 0.435 19792 10016 1 20 . 1 1 56 56 VAL N N 56 123.812 123.812 126.379 -2.567 19792 10017 1 20 . 1 1 56 56 VAL HA H 56 4.474 4.474 3.814 0.660 19792 10018 1 20 . 1 1 56 56 VAL C C 56 171.401 171.401 174.806 -3.405 19792 10019 1 20 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.322 -2.474 19792 10020 1 20 . 1 1 56 56 VAL CB C 56 32.527 32.527 33.924 -1.397 19792 10021 1 20 . 1 1 56 56 VAL H H 56 8.558 8.558 8.444 0.114 19792 10022 1 20 . 1 1 57 57 THR N N 57 123.000 123.000 122.414 0.586 19792 10023 1 20 . 1 1 57 57 THR HA H 57 4.974 4.974 4.359 0.615 19792 10024 1 20 . 1 1 57 57 THR C C 57 171.340 171.340 173.379 -2.039 19792 10025 1 20 . 1 1 57 57 THR CA C 57 58.659 58.659 63.103 -4.444 19792 10026 1 20 . 1 1 57 57 THR CB C 57 66.662 66.662 69.550 -2.888 19792 10027 1 20 . 1 1 57 57 THR H H 57 8.808 8.808 7.337 1.471 19792 10028 1 20 . 1 1 58 58 PHE N N 58 128.385 128.385 118.674 9.711 19792 10029 1 20 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.818 -0.135 19792 10030 1 20 . 1 1 58 58 PHE C C 58 172.367 172.367 174.996 -2.629 19792 10031 1 20 . 1 1 58 58 PHE CA C 58 55.449 55.449 57.475 -2.026 19792 10032 1 20 . 1 1 58 58 PHE CB C 58 37.909 37.909 42.087 -4.178 19792 10033 1 20 . 1 1 58 58 PHE H H 58 8.835 8.835 8.520 0.315 19792 10034 1 20 . 1 1 59 59 GLU N N 59 121.627 121.627 125.293 -3.666 19792 10035 1 20 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.065 -0.299 19792 10036 1 20 . 1 1 59 59 GLU C C 59 173.666 173.666 176.353 -2.687 19792 10037 1 20 . 1 1 59 59 GLU CA C 59 56.293 56.293 59.392 -3.099 19792 10038 1 20 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.159 -2.372 19792 10039 1 20 . 1 1 59 59 GLU H H 59 8.067 8.067 8.828 -0.761 19792 10040 1 20 . 1 1 60 60 SER N N 60 112.302 112.302 111.856 0.446 19792 10041 1 20 . 1 1 60 60 SER HA H 60 5.163 5.163 4.894 0.269 19792 10042 1 20 . 1 1 60 60 SER CA C 60 50.137 50.137 55.574 -5.437 19792 10043 1 20 . 1 1 60 60 SER CB C 60 61.350 61.350 64.836 -3.486 19792 10044 1 20 . 1 1 60 60 SER H H 60 9.333 9.333 8.696 0.637 19792 10045 1 20 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.444 -0.446 19792 10046 1 20 . 1 1 61 61 PRO CA C 61 61.850 61.850 65.544 -3.694 19792 10047 1 20 . 1 1 61 61 PRO CB C 61 29.391 29.391 31.937 -2.546 19792 10048 1 20 . 1 1 62 62 ALA N N 62 121.088 121.088 119.693 1.395 19792 10049 1 20 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.123 -0.191 19792 10050 1 20 . 1 1 62 62 ALA C C 62 176.826 176.826 179.163 -2.337 19792 10051 1 20 . 1 1 62 62 ALA CA C 62 52.266 52.266 54.571 -2.305 19792 10052 1 20 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.316 -2.698 19792 10053 1 20 . 1 1 62 62 ALA H H 62 7.821 7.821 8.393 -0.572 19792 10054 1 20 . 1 1 63 63 ASP N N 63 120.099 120.099 118.347 1.752 19792 10055 1 20 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.459 -0.367 19792 10056 1 20 . 1 1 63 63 ASP C C 63 174.505 174.505 177.474 -2.969 19792 10057 1 20 . 1 1 63 63 ASP CA C 63 53.809 53.809 56.328 -2.519 19792 10058 1 20 . 1 1 63 63 ASP CB C 63 37.374 37.374 40.876 -3.502 19792 10059 1 20 . 1 1 63 63 ASP H H 63 6.960 6.960 7.787 -0.827 19792 10060 1 20 . 1 1 64 64 ALA N N 64 119.533 119.533 123.391 -3.858 19792 10061 1 20 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.012 0.129 19792 10062 1 20 . 1 1 64 64 ALA C C 64 176.037 176.037 179.018 -2.981 19792 10063 1 20 . 1 1 64 64 ALA CA C 64 51.399 51.399 54.650 -3.251 19792 10064 1 20 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.676 -3.111 19792 10065 1 20 . 1 1 64 64 ALA H H 64 6.771 6.771 7.354 -0.583 19792 10066 1 20 . 1 1 65 65 LYS N N 65 117.395 117.395 117.019 0.376 19792 10067 1 20 . 1 1 65 65 LYS HA H 65 3.727 3.727 3.823 -0.096 19792 10068 1 20 . 1 1 65 65 LYS C C 65 176.716 176.716 178.288 -1.572 19792 10069 1 20 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.433 -2.749 19792 10070 1 20 . 1 1 65 65 LYS CB C 65 29.183 29.183 31.754 -2.571 19792 10071 1 20 . 1 1 65 65 LYS H H 65 7.478 7.478 8.038 -0.560 19792 10072 1 20 . 1 1 66 66 ASP N N 66 120.839 120.839 119.292 1.547 19792 10073 1 20 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.455 -0.272 19792 10074 1 20 . 1 1 66 66 ASP C C 66 175.111 175.111 177.372 -2.261 19792 10075 1 20 . 1 1 66 66 ASP CA C 66 54.430 54.430 56.762 -2.332 19792 10076 1 20 . 1 1 66 66 ASP CB C 66 37.720 37.720 41.118 -3.398 19792 10077 1 20 . 1 1 66 66 ASP H H 66 7.403 7.403 7.649 -0.246 19792 10078 1 20 . 1 1 67 67 ALA N N 67 122.056 122.056 122.966 -0.910 19792 10079 1 20 . 1 1 67 67 ALA HA H 67 2.160 2.160 2.935 -0.775 19792 10080 1 20 . 1 1 67 67 ALA C C 67 176.448 176.448 178.681 -2.233 19792 10081 1 20 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.611 -3.312 19792 10082 1 20 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.078 -0.826 19792 10083 1 20 . 1 1 67 67 ALA H H 67 7.737 7.737 7.202 0.535 19792 10084 1 20 . 1 1 68 68 ALA N N 68 118.624 118.624 119.132 -0.508 19792 10085 1 20 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.140 -0.441 19792 10086 1 20 . 1 1 68 68 ALA C C 68 176.619 176.619 178.873 -2.254 19792 10087 1 20 . 1 1 68 68 ALA CA C 68 52.280 52.280 53.967 -1.687 19792 10088 1 20 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.227 -3.378 19792 10089 1 20 . 1 1 68 68 ALA H H 68 8.108 8.108 7.317 0.791 19792 10090 1 20 . 1 1 69 69 ARG N N 69 116.265 116.265 118.728 -2.463 19792 10091 1 20 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.165 -0.233 19792 10092 1 20 . 1 1 69 69 ARG C C 69 175.857 175.857 177.027 -1.170 19792 10093 1 20 . 1 1 69 69 ARG CA C 69 55.734 55.734 58.352 -2.618 19792 10094 1 20 . 1 1 69 69 ARG CB C 69 27.249 27.249 30.192 -2.943 19792 10095 1 20 . 1 1 69 69 ARG H H 69 7.599 7.599 7.320 0.279 19792 10096 1 20 . 1 1 70 70 ASP N N 70 116.202 116.202 117.425 -1.223 19792 10097 1 20 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.579 -0.024 19792 10098 1 20 . 1 1 70 70 ASP C C 70 174.867 174.867 176.824 -1.957 19792 10099 1 20 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.652 -2.338 19792 10100 1 20 . 1 1 70 70 ASP CB C 70 39.839 39.839 42.601 -2.762 19792 10101 1 20 . 1 1 70 70 ASP H H 70 7.657 7.657 7.836 -0.179 19792 10102 1 20 . 1 1 71 71 MET N N 71 111.561 111.561 118.596 -7.035 19792 10103 1 20 . 1 1 71 71 MET HA H 71 4.742 4.742 4.442 0.300 19792 10104 1 20 . 1 1 71 71 MET C C 71 175.174 175.174 174.718 0.456 19792 10105 1 20 . 1 1 71 71 MET CA C 71 50.378 50.378 56.510 -6.132 19792 10106 1 20 . 1 1 71 71 MET CB C 71 29.047 29.047 33.960 -4.913 19792 10107 1 20 . 1 1 71 71 MET H H 71 8.069 8.069 7.416 0.653 19792 10108 1 20 . 1 1 72 72 ASN N N 72 116.196 116.196 116.546 -0.350 19792 10109 1 20 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.535 -0.254 19792 10110 1 20 . 1 1 72 72 ASN C C 72 173.812 173.812 176.561 -2.749 19792 10111 1 20 . 1 1 72 72 ASN CA C 72 53.826 53.826 54.128 -0.302 19792 10112 1 20 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.088 -2.203 19792 10113 1 20 . 1 1 72 72 ASN H H 72 7.442 7.442 8.373 -0.931 19792 10114 1 20 . 1 1 73 73 GLY N N 73 116.956 116.956 107.881 9.075 19792 10115 1 20 . 1 1 73 73 GLY C C 73 171.629 171.629 174.595 -2.966 19792 10116 1 20 . 1 1 73 73 GLY CA C 73 43.091 43.091 45.939 -2.848 19792 10117 1 20 . 1 1 73 73 GLY H H 73 8.884 8.884 8.851 0.033 19792 10118 1 20 . 1 1 74 74 LYS N N 74 120.829 120.829 122.054 -1.225 19792 10119 1 20 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.410 -0.170 19792 10120 1 20 . 1 1 74 74 LYS C C 74 172.132 172.132 176.194 -4.062 19792 10121 1 20 . 1 1 74 74 LYS CA C 74 52.333 52.333 55.878 -3.545 19792 10122 1 20 . 1 1 74 74 LYS CB C 74 30.131 30.131 33.318 -3.187 19792 10123 1 20 . 1 1 74 74 LYS H H 74 7.797 7.797 7.938 -0.141 19792 10124 1 20 . 1 1 75 75 SER N N 75 112.883 112.883 114.663 -1.780 19792 10125 1 20 . 1 1 75 75 SER HA H 75 4.940 4.940 4.921 0.019 19792 10126 1 20 . 1 1 75 75 SER C C 75 171.838 171.838 174.094 -2.256 19792 10127 1 20 . 1 1 75 75 SER CA C 75 54.722 54.722 57.775 -3.053 19792 10128 1 20 . 1 1 75 75 SER CB C 75 61.242 61.242 64.465 -3.223 19792 10129 1 20 . 1 1 75 75 SER H H 75 8.037 8.037 8.371 -0.334 19792 10130 1 20 . 1 1 76 76 LEU N N 76 127.669 127.669 122.258 5.411 19792 10131 1 20 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.697 -0.261 19792 10132 1 20 . 1 1 76 76 LEU C C 76 173.849 173.849 175.526 -1.677 19792 10133 1 20 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.495 -3.720 19792 10134 1 20 . 1 1 76 76 LEU CB C 76 41.886 41.886 44.428 -2.542 19792 10135 1 20 . 1 1 76 76 LEU H H 76 8.988 8.988 8.487 0.501 19792 10136 1 20 . 1 1 77 77 ASP N N 77 129.054 129.054 126.455 2.599 19792 10137 1 20 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.321 -0.147 19792 10138 1 20 . 1 1 77 77 ASP C C 77 173.415 173.415 176.442 -3.027 19792 10139 1 20 . 1 1 77 77 ASP CA C 77 52.876 52.876 54.843 -1.967 19792 10140 1 20 . 1 1 77 77 ASP CB C 77 36.413 36.413 40.151 -3.738 19792 10141 1 20 . 1 1 77 77 ASP H H 77 9.523 9.523 9.074 0.449 19792 10142 1 20 . 1 1 78 78 GLY N N 78 101.915 101.915 102.758 -0.843 19792 10143 1 20 . 1 1 78 78 GLY C C 78 170.989 170.989 174.492 -3.503 19792 10144 1 20 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.313 -2.544 19792 10145 1 20 . 1 1 78 78 GLY H H 78 8.396 8.396 8.634 -0.238 19792 10146 1 20 . 1 1 79 79 LYS N N 79 119.791 119.791 122.065 -2.274 19792 10147 1 20 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.559 -0.013 19792 10148 1 20 . 1 1 79 79 LYS C C 79 171.513 171.513 175.631 -4.118 19792 10149 1 20 . 1 1 79 79 LYS CA C 79 50.277 50.277 54.160 -3.883 19792 10150 1 20 . 1 1 79 79 LYS CB C 79 31.955 31.955 33.277 -1.322 19792 10151 1 20 . 1 1 79 79 LYS H H 79 7.269 7.269 7.617 -0.348 19792 10152 1 20 . 1 1 80 80 ALA N N 80 125.002 125.002 127.478 -2.476 19792 10153 1 20 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.389 -0.024 19792 10154 1 20 . 1 1 80 80 ALA C C 80 175.007 175.007 177.031 -2.024 19792 10155 1 20 . 1 1 80 80 ALA CA C 80 48.381 48.381 51.785 -3.404 19792 10156 1 20 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.206 -2.991 19792 10157 1 20 . 1 1 80 80 ALA H H 80 8.235 8.235 8.736 -0.501 19792 10158 1 20 . 1 1 81 81 ILE N N 81 119.947 119.947 119.734 0.213 19792 10159 1 20 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.597 0.017 19792 10160 1 20 . 1 1 81 81 ILE C C 81 172.389 172.389 175.493 -3.104 19792 10161 1 20 . 1 1 81 81 ILE CA C 81 57.921 57.921 60.933 -3.012 19792 10162 1 20 . 1 1 81 81 ILE CB C 81 37.547 37.547 39.429 -1.882 19792 10163 1 20 . 1 1 81 81 ILE H H 81 8.204 8.204 7.692 0.512 19792 10164 1 20 . 1 1 82 82 LYS N N 82 123.700 123.700 121.047 2.653 19792 10165 1 20 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.690 0.156 19792 10166 1 20 . 1 1 82 82 LYS C C 82 172.571 172.571 174.717 -2.146 19792 10167 1 20 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.144 -3.803 19792 10168 1 20 . 1 1 82 82 LYS CB C 82 31.948 31.948 35.775 -3.827 19792 10169 1 20 . 1 1 82 82 LYS H H 82 8.460 8.460 8.369 0.091 19792 10170 1 20 . 1 1 83 83 VAL N N 83 123.707 123.707 125.283 -1.576 19792 10171 1 20 . 1 1 83 83 VAL HA H 83 5.068 5.068 5.148 -0.080 19792 10172 1 20 . 1 1 83 83 VAL C C 83 171.831 171.831 175.397 -3.566 19792 10173 1 20 . 1 1 83 83 VAL CA C 83 57.954 57.954 61.276 -3.322 19792 10174 1 20 . 1 1 83 83 VAL CB C 83 31.979 31.979 34.349 -2.369 19792 10175 1 20 . 1 1 83 83 VAL H H 83 8.653 8.653 8.704 -0.051 19792 10176 1 20 . 1 1 84 84 GLU N N 84 123.150 123.150 125.750 -2.600 19792 10177 1 20 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.868 -0.184 19792 10178 1 20 . 1 1 84 84 GLU C C 84 172.141 172.141 174.743 -2.602 19792 10179 1 20 . 1 1 84 84 GLU CA C 84 51.305 51.305 54.323 -3.018 19792 10180 1 20 . 1 1 84 84 GLU CB C 84 31.690 31.690 34.256 -2.566 19792 10181 1 20 . 1 1 84 84 GLU H H 84 8.977 8.977 9.354 -0.377 19792 10182 1 20 . 1 1 85 85 GLN N N 85 121.740 121.740 119.207 2.533 19792 10183 1 20 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.669 -0.420 19792 10184 1 20 . 1 1 85 85 GLN C C 85 173.263 173.263 175.341 -2.078 19792 10185 1 20 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.653 -0.396 19792 10186 1 20 . 1 1 85 85 GLN CB C 85 26.519 26.519 28.949 -2.430 19792 10187 1 20 . 1 1 85 85 GLN H H 85 8.835 8.835 8.749 0.086 19792 10188 1 20 . 1 1 86 86 ALA N N 86 127.885 127.885 129.296 -1.411 19792 10189 1 20 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.282 0.152 19792 10190 1 20 . 1 1 86 86 ALA C C 86 174.487 174.487 176.993 -2.506 19792 10191 1 20 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.160 -2.144 19792 10192 1 20 . 1 1 86 86 ALA CB C 86 16.340 16.340 17.698 -1.358 19792 10193 1 20 . 1 1 86 86 ALA H H 86 8.608 8.608 8.847 -0.239 19792 10194 1 20 . 1 1 87 87 THR N N 87 113.372 113.372 116.087 -2.715 19792 10195 1 20 . 1 1 87 87 THR HA H 87 4.339 4.339 4.495 -0.156 19792 10196 1 20 . 1 1 87 87 THR C C 87 171.331 171.331 173.210 -1.879 19792 10197 1 20 . 1 1 87 87 THR CA C 87 58.219 58.219 61.121 -2.902 19792 10198 1 20 . 1 1 87 87 THR CB C 87 67.397 67.397 70.418 -3.021 19792 10199 1 20 . 1 1 87 87 THR H H 87 8.271 8.271 7.947 0.324 19792 10200 1 20 . 1 1 88 88 LYS N N 88 123.502 123.502 122.524 0.978 19792 10201 1 20 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.679 -0.206 19792 10202 1 20 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.448 -1.837 19792 10203 1 20 . 1 1 88 88 LYS CB C 88 29.867 29.867 31.779 -1.912 19792 10204 1 20 . 1 1 88 88 LYS H H 88 8.203 8.203 8.249 -0.046 19792 10205 1 20 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.499 -0.305 19792 10206 1 20 . 1 1 89 89 PRO C C 89 173.726 173.726 176.701 -2.975 19792 10207 1 20 . 1 1 89 89 PRO CA C 89 60.070 60.070 64.007 -3.937 19792 10208 1 20 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.328 -3.013 19792 10209 1 20 . 1 1 90 90 SER N N 90 115.260 115.260 112.642 2.618 19792 10210 1 20 . 1 1 90 90 SER HA H 90 4.229 4.229 4.614 -0.385 19792 10211 1 20 . 1 1 90 90 SER C C 90 171.123 171.123 172.374 -1.251 19792 10212 1 20 . 1 1 90 90 SER CA C 90 55.017 55.017 57.567 -2.550 19792 10213 1 20 . 1 1 90 90 SER CB C 90 60.977 60.977 64.719 -3.742 19792 10214 1 20 . 1 1 90 90 SER H H 90 7.991 7.991 7.604 0.387 19792 10215 1 20 . 1 1 91 91 PHE N N 91 121.128 121.128 117.431 3.697 19792 10216 1 20 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.821 -0.294 19792 10217 1 20 . 1 1 91 91 PHE C C 91 171.798 171.798 174.228 -2.430 19792 10218 1 20 . 1 1 91 91 PHE CA C 91 54.467 54.467 57.280 -2.813 19792 10219 1 20 . 1 1 91 91 PHE CB C 91 37.008 37.008 40.691 -3.683 19792 10220 1 20 . 1 1 91 91 PHE H H 91 8.004 8.004 7.807 0.197 19792 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 86 3.573 -0.588 3.545 19792 2 1 1 "Average Difference" HA 82 0.393 0.205 0.338 19792 3 1 1 "Average Difference" C 85 2.520 2.287 1.064 19792 4 1 1 "Average Difference" CA 90 2.899 2.638 1.209 19792 5 1 1 "Average Difference" CB 82 3.181 2.914 1.281 19792 6 1 1 "Average Difference" HN 86 0.530 -0.081 0.527 19792 7 1 2 "Average Difference" N 86 3.136 -0.135 3.152 19792 8 1 2 "Average Difference" HA 82 0.357 0.163 0.320 19792 9 1 2 "Average Difference" C 85 2.642 2.470 0.943 19792 10 1 2 "Average Difference" CA 90 3.000 2.758 1.188 19792 11 1 2 "Average Difference" CB 82 2.991 2.684 1.328 19792 12 1 2 "Average Difference" HN 86 0.561 -0.058 0.561 19792 13 1 3 "Average Difference" N 86 2.949 -0.060 2.965 19792 14 1 3 "Average Difference" HA 82 0.371 0.206 0.311 19792 15 1 3 "Average Difference" C 85 2.662 2.442 1.066 19792 16 1 3 "Average Difference" CA 90 2.915 2.692 1.126 19792 17 1 3 "Average Difference" CB 82 3.134 2.907 1.179 19792 18 1 3 "Average Difference" HN 86 0.498 0.016 0.501 19792 19 1 4 "Average Difference" N 86 3.175 -0.067 3.193 19792 20 1 4 "Average Difference" HA 82 0.352 0.185 0.302 19792 21 1 4 "Average Difference" C 85 2.641 2.394 1.122 19792 22 1 4 "Average Difference" CA 90 2.915 2.691 1.126 19792 23 1 4 "Average Difference" CB 82 3.075 2.859 1.140 19792 24 1 4 "Average Difference" HN 86 0.525 -0.012 0.528 19792 25 1 5 "Average Difference" N 86 3.209 -0.405 3.202 19792 26 1 5 "Average Difference" HA 82 0.366 0.159 0.331 19792 27 1 5 "Average Difference" C 85 2.639 2.381 1.144 19792 28 1 5 "Average Difference" CA 90 3.015 2.754 1.234 19792 29 1 5 "Average Difference" CB 82 3.003 2.763 1.182 19792 30 1 5 "Average Difference" HN 86 0.568 -0.106 0.561 19792 31 1 6 "Average Difference" N 86 3.455 -0.293 3.463 19792 32 1 6 "Average Difference" HA 82 0.337 0.166 0.295 19792 33 1 6 "Average Difference" C 85 2.520 2.279 1.081 19792 34 1 6 "Average Difference" CA 90 2.943 2.698 1.181 19792 35 1 6 "Average Difference" CB 82 3.060 2.789 1.266 19792 36 1 6 "Average Difference" HN 86 0.507 -0.048 0.508 19792 37 1 7 "Average Difference" N 86 3.078 -0.121 3.093 19792 38 1 7 "Average Difference" HA 82 0.368 0.192 0.316 19792 39 1 7 "Average Difference" C 85 2.489 2.271 1.023 19792 40 1 7 "Average Difference" CA 90 2.853 2.576 1.235 19792 41 1 7 "Average Difference" CB 82 3.073 2.740 1.399 19792 42 1 7 "Average Difference" HN 86 0.547 -0.068 0.546 19792 43 1 8 "Average Difference" N 86 3.403 -0.015 3.423 19792 44 1 8 "Average Difference" HA 82 0.358 0.183 0.310 19792 45 1 8 "Average Difference" C 85 2.565 2.318 1.106 19792 46 1 8 "Average Difference" CA 90 2.948 2.689 1.216 19792 47 1 8 "Average Difference" CB 82 3.096 2.893 1.111 19792 48 1 8 "Average Difference" HN 86 0.574 -0.048 0.575 19792 49 1 9 "Average Difference" N 86 3.469 -0.342 3.472 19792 50 1 9 "Average Difference" HA 82 0.360 0.149 0.330 19792 51 1 9 "Average Difference" C 85 2.694 2.485 1.046 19792 52 1 9 "Average Difference" CA 90 3.056 2.835 1.147 19792 53 1 9 "Average Difference" CB 82 3.031 2.769 1.239 19792 54 1 9 "Average Difference" HN 86 0.629 -0.070 0.629 19792 55 1 10 "Average Difference" N 86 3.182 -0.168 3.196 19792 56 1 10 "Average Difference" HA 82 0.376 0.175 0.335 19792 57 1 10 "Average Difference" C 85 2.626 2.378 1.121 19792 58 1 10 "Average Difference" CA 90 2.914 2.668 1.177 19792 59 1 10 "Average Difference" CB 82 3.017 2.713 1.326 19792 60 1 10 "Average Difference" HN 86 0.531 -0.073 0.529 19792 61 1 11 "Average Difference" N 86 2.961 -0.238 2.969 19792 62 1 11 "Average Difference" HA 82 0.319 0.162 0.276 19792 63 1 11 "Average Difference" C 85 2.662 2.441 1.068 19792 64 1 11 "Average Difference" CA 90 2.951 2.729 1.130 19792 65 1 11 "Average Difference" CB 82 3.053 2.802 1.220 19792 66 1 11 "Average Difference" HN 86 0.517 -0.029 0.519 19792 67 1 12 "Average Difference" N 86 3.240 -0.367 3.238 19792 68 1 12 "Average Difference" HA 82 0.358 0.186 0.308 19792 69 1 12 "Average Difference" C 85 2.597 2.339 1.135 19792 70 1 12 "Average Difference" CA 90 2.858 2.655 1.062 19792 71 1 12 "Average Difference" CB 82 3.128 2.875 1.238 19792 72 1 12 "Average Difference" HN 86 0.490 -0.032 0.492 19792 73 1 13 "Average Difference" N 86 3.355 -0.173 3.370 19792 74 1 13 "Average Difference" HA 82 0.412 0.216 0.353 19792 75 1 13 "Average Difference" C 85 2.628 2.385 1.111 19792 76 1 13 "Average Difference" CA 90 2.886 2.655 1.138 19792 77 1 13 "Average Difference" CB 82 3.082 2.832 1.221 19792 78 1 13 "Average Difference" HN 86 0.471 0.008 0.474 19792 79 1 14 "Average Difference" N 86 3.304 -0.390 3.300 19792 80 1 14 "Average Difference" HA 82 0.422 0.186 0.381 19792 81 1 14 "Average Difference" C 85 2.602 2.367 1.088 19792 82 1 14 "Average Difference" CA 90 2.916 2.728 1.037 19792 83 1 14 "Average Difference" CB 82 3.099 2.854 1.213 19792 84 1 14 "Average Difference" HN 86 0.559 -0.058 0.559 19792 85 1 15 "Average Difference" N 86 3.285 0.052 3.304 19792 86 1 15 "Average Difference" HA 82 0.376 0.197 0.322 19792 87 1 15 "Average Difference" C 85 2.510 2.350 0.888 19792 88 1 15 "Average Difference" CA 90 2.928 2.696 1.149 19792 89 1 15 "Average Difference" CB 82 3.081 2.857 1.158 19792 90 1 15 "Average Difference" HN 86 0.566 -0.044 0.568 19792 91 1 16 "Average Difference" N 86 3.398 -0.308 3.404 19792 92 1 16 "Average Difference" HA 82 0.368 0.169 0.329 19792 93 1 16 "Average Difference" C 85 2.602 2.347 1.129 19792 94 1 16 "Average Difference" CA 90 3.001 2.726 1.262 19792 95 1 16 "Average Difference" CB 82 3.100 2.862 1.200 19792 96 1 16 "Average Difference" HN 86 0.531 -0.016 0.534 19792 97 1 17 "Average Difference" N 86 3.422 -0.103 3.440 19792 98 1 17 "Average Difference" HA 82 0.369 0.206 0.308 19792 99 1 17 "Average Difference" C 85 2.653 2.425 1.083 19792 100 1 17 "Average Difference" CA 90 2.908 2.629 1.250 19792 101 1 17 "Average Difference" CB 82 2.988 2.730 1.222 19792 102 1 17 "Average Difference" HN 86 0.533 -0.040 0.534 19792 103 1 18 "Average Difference" N 86 3.630 -0.400 3.629 19792 104 1 18 "Average Difference" HA 82 0.373 0.150 0.343 19792 105 1 18 "Average Difference" C 85 2.575 2.343 1.073 19792 106 1 18 "Average Difference" CA 90 2.938 2.737 1.074 19792 107 1 18 "Average Difference" CB 82 3.059 2.835 1.156 19792 108 1 18 "Average Difference" HN 86 0.551 -0.072 0.550 19792 109 1 19 "Average Difference" N 86 3.405 0.051 3.425 19792 110 1 19 "Average Difference" HA 82 0.340 0.180 0.290 19792 111 1 19 "Average Difference" C 85 2.590 2.369 1.052 19792 112 1 19 "Average Difference" CA 90 2.907 2.626 1.253 19792 113 1 19 "Average Difference" CB 82 3.059 2.814 1.207 19792 114 1 19 "Average Difference" HN 86 0.528 -0.061 0.528 19792 115 1 20 "Average Difference" N 86 3.395 -0.179 3.411 19792 116 1 20 "Average Difference" HA 82 0.333 0.160 0.293 19792 117 1 20 "Average Difference" C 85 2.516 2.308 1.007 19792 118 1 20 "Average Difference" CA 90 2.925 2.706 1.116 19792 119 1 20 "Average Difference" CB 82 3.018 2.820 1.081 19792 120 1 20 "Average Difference" HN 86 0.513 -0.058 0.512 19792 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 19792 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 HIS HA H 2 4.596 4.596 4.847 -0.251 19792 2 1 . 1 1 2 2 HIS C C 2 171.930 171.930 174.358 -2.428 19792 3 1 . 1 1 2 2 HIS CA C 2 52.879 52.879 56.002 -3.123 19792 4 1 . 1 1 2 2 HIS CB C 2 27.693 27.693 30.685 -2.992 19792 5 1 . 1 1 3 3 MET N N 3 122.778 122.778 121.753 1.025 19792 6 1 . 1 1 3 3 MET HA H 3 4.365 4.365 4.697 -0.332 19792 7 1 . 1 1 3 3 MET C C 3 173.051 173.051 175.124 -2.073 19792 8 1 . 1 1 3 3 MET CA C 3 52.457 52.457 55.073 -2.617 19792 9 1 . 1 1 3 3 MET CB C 3 30.267 30.267 34.847 -4.580 19792 10 1 . 1 1 3 3 MET H H 3 8.407 8.407 8.333 0.074 19792 11 1 . 1 1 4 4 VAL N N 4 121.985 121.985 121.977 0.008 19792 12 1 . 1 1 4 4 VAL HA H 4 3.992 3.992 4.308 -0.316 19792 13 1 . 1 1 4 4 VAL C C 4 173.161 173.161 175.433 -2.272 19792 14 1 . 1 1 4 4 VAL CA C 4 59.189 59.189 62.497 -3.308 19792 15 1 . 1 1 4 4 VAL CB C 4 30.313 30.313 32.268 -1.955 19792 16 1 . 1 1 4 4 VAL H H 4 8.170 8.170 8.491 -0.321 19792 17 1 . 1 1 5 5 GLU N N 5 124.990 124.990 122.744 2.246 19792 18 1 . 1 1 5 5 GLU HA H 5 4.162 4.162 4.462 -0.300 19792 19 1 . 1 1 5 5 GLU C C 5 173.208 173.208 175.677 -2.469 19792 20 1 . 1 1 5 5 GLU CA C 5 53.271 53.271 56.047 -2.776 19792 21 1 . 1 1 5 5 GLU CB C 5 27.861 27.861 28.985 -1.124 19792 22 1 . 1 1 5 5 GLU H H 5 8.469 8.469 8.478 -0.009 19792 23 1 . 1 1 6 6 ALA N N 6 124.750 124.750 124.899 -0.149 19792 24 1 . 1 1 6 6 ALA HA H 6 4.135 4.135 4.475 -0.340 19792 25 1 . 1 1 6 6 ALA C C 6 174.516 174.516 176.419 -1.903 19792 26 1 . 1 1 6 6 ALA CA C 6 49.571 49.571 51.845 -2.274 19792 27 1 . 1 1 6 6 ALA CB C 6 16.604 16.604 19.761 -3.157 19792 28 1 . 1 1 6 6 ALA H H 6 8.229 8.229 7.879 0.350 19792 29 1 . 1 1 7 7 ASP N N 7 119.477 119.477 120.650 -1.173 19792 30 1 . 1 1 7 7 ASP HA H 7 4.430 4.430 4.701 -0.271 19792 31 1 . 1 1 7 7 ASP C C 7 173.005 173.005 175.027 -2.022 19792 32 1 . 1 1 7 7 ASP CA C 7 51.032 51.032 53.938 -2.906 19792 33 1 . 1 1 7 7 ASP CB C 7 38.658 38.658 41.836 -3.178 19792 34 1 . 1 1 7 7 ASP H H 7 8.172 8.172 8.280 -0.108 19792 35 1 . 1 1 8 8 ARG N N 8 121.454 121.454 121.126 0.328 19792 36 1 . 1 1 8 8 ARG HA H 8 4.103 4.103 4.628 -0.525 19792 37 1 . 1 1 8 8 ARG CA C 8 54.708 54.708 54.461 0.247 19792 38 1 . 1 1 8 8 ARG CB C 8 27.813 27.813 30.916 -3.103 19792 39 1 . 1 1 8 8 ARG H H 8 8.168 8.168 8.197 -0.029 19792 40 1 . 1 1 9 9 PRO HA H 9 4.413 4.413 4.552 -0.139 19792 41 1 . 1 1 9 9 PRO C C 9 174.662 174.662 176.794 -2.132 19792 42 1 . 1 1 9 9 PRO CA C 9 60.806 60.806 62.806 -2.000 19792 43 1 . 1 1 9 9 PRO CB C 9 29.471 29.471 30.774 -1.304 19792 44 1 . 1 1 10 10 GLY N N 10 108.287 108.287 109.655 -1.368 19792 45 1 . 1 1 10 10 GLY C C 10 169.715 169.715 173.806 -4.091 19792 46 1 . 1 1 10 10 GLY CA C 10 42.529 42.529 45.482 -2.953 19792 47 1 . 1 1 10 10 GLY H H 10 8.769 8.769 8.270 0.499 19792 48 1 . 1 1 11 11 LYS N N 11 122.177 122.177 120.177 2.000 19792 49 1 . 1 1 11 11 LYS HA H 11 4.864 4.864 4.632 0.232 19792 50 1 . 1 1 11 11 LYS C C 11 172.419 172.419 175.852 -3.433 19792 51 1 . 1 1 11 11 LYS CA C 11 53.417 53.417 56.486 -3.069 19792 52 1 . 1 1 11 11 LYS CB C 11 32.058 32.058 33.861 -1.803 19792 53 1 . 1 1 11 11 LYS H H 11 7.753 7.753 7.760 -0.007 19792 54 1 . 1 1 12 12 LEU N N 12 127.116 127.116 122.729 4.387 19792 55 1 . 1 1 12 12 LEU HA H 12 4.939 4.939 4.787 0.151 19792 56 1 . 1 1 12 12 LEU C C 12 173.185 173.185 175.807 -2.622 19792 57 1 . 1 1 12 12 LEU CA C 12 50.301 50.301 53.284 -2.983 19792 58 1 . 1 1 12 12 LEU CB C 12 42.075 42.075 45.712 -3.637 19792 59 1 . 1 1 12 12 LEU H H 12 9.465 9.465 8.182 1.283 19792 60 1 . 1 1 13 13 PHE N N 13 122.922 122.922 120.498 2.424 19792 61 1 . 1 1 13 13 PHE HA H 13 4.712 4.712 4.967 -0.255 19792 62 1 . 1 1 13 13 PHE C C 13 170.330 170.330 173.368 -3.038 19792 63 1 . 1 1 13 13 PHE CA C 13 54.041 54.041 57.287 -3.246 19792 64 1 . 1 1 13 13 PHE CB C 13 38.520 38.520 43.212 -4.692 19792 65 1 . 1 1 13 13 PHE H H 13 9.213 9.213 8.639 0.574 19792 66 1 . 1 1 14 14 ILE N N 14 128.128 128.128 125.253 2.875 19792 67 1 . 1 1 14 14 ILE HA H 14 4.815 4.815 5.317 -0.502 19792 68 1 . 1 1 14 14 ILE C C 14 171.441 171.441 174.814 -3.373 19792 69 1 . 1 1 14 14 ILE CA C 14 55.411 55.411 59.652 -4.241 19792 70 1 . 1 1 14 14 ILE CB C 14 36.448 36.448 41.804 -5.356 19792 71 1 . 1 1 14 14 ILE H H 14 8.304 8.304 8.138 0.166 19792 72 1 . 1 1 15 15 GLY N N 15 110.945 110.945 111.935 -0.990 19792 73 1 . 1 1 15 15 GLY C C 15 170.863 170.863 173.974 -3.111 19792 74 1 . 1 1 15 15 GLY CA C 15 40.913 40.913 44.589 -3.676 19792 75 1 . 1 1 15 15 GLY H H 15 8.965 8.965 8.792 0.173 19792 76 1 . 1 1 16 16 GLY N N 16 107.025 107.025 108.914 -1.889 19792 77 1 . 1 1 16 16 GLY C C 16 172.134 172.134 174.354 -2.220 19792 78 1 . 1 1 16 16 GLY CA C 16 42.862 42.862 45.467 -2.605 19792 79 1 . 1 1 16 16 GLY H H 16 7.865 7.865 8.388 -0.523 19792 80 1 . 1 1 17 17 LEU N N 17 115.104 115.104 119.658 -4.554 19792 81 1 . 1 1 17 17 LEU HA H 17 3.912 3.912 4.285 -0.373 19792 82 1 . 1 1 17 17 LEU C C 17 176.024 176.024 176.777 -0.753 19792 83 1 . 1 1 17 17 LEU CA C 17 51.583 51.583 54.612 -3.029 19792 84 1 . 1 1 17 17 LEU CB C 17 40.169 40.169 42.199 -2.030 19792 85 1 . 1 1 17 17 LEU H H 17 7.521 7.521 7.781 -0.260 19792 86 1 . 1 1 18 18 ASN N N 18 120.666 120.666 117.558 3.108 19792 87 1 . 1 1 18 18 ASN HA H 18 4.386 4.386 4.703 -0.317 19792 88 1 . 1 1 18 18 ASN C C 18 176.199 176.199 176.164 0.035 19792 89 1 . 1 1 18 18 ASN CA C 18 50.302 50.302 53.300 -2.998 19792 90 1 . 1 1 18 18 ASN CB C 18 35.692 35.692 39.952 -4.260 19792 91 1 . 1 1 18 18 ASN H H 18 9.528 9.528 8.508 1.020 19792 92 1 . 1 1 19 19 THR N N 19 123.230 123.230 111.068 12.162 19792 93 1 . 1 1 19 19 THR HA H 19 3.699 3.699 4.418 -0.719 19792 94 1 . 1 1 19 19 THR C C 19 172.195 172.195 174.841 -2.646 19792 95 1 . 1 1 19 19 THR CA C 19 62.512 62.512 63.592 -1.080 19792 96 1 . 1 1 19 19 THR CB C 19 65.438 65.438 69.170 -3.732 19792 97 1 . 1 1 19 19 THR H H 19 8.809 8.809 8.467 0.342 19792 98 1 . 1 1 20 20 GLU N N 20 118.055 118.055 120.253 -2.198 19792 99 1 . 1 1 20 20 GLU HA H 20 4.176 4.176 4.545 -0.369 19792 100 1 . 1 1 20 20 GLU C C 20 174.826 174.826 175.784 -0.958 19792 101 1 . 1 1 20 20 GLU CA C 20 53.181 53.181 55.366 -2.185 19792 102 1 . 1 1 20 20 GLU CB C 20 27.076 27.076 29.959 -2.883 19792 103 1 . 1 1 20 20 GLU H H 20 8.703 8.703 8.220 0.483 19792 104 1 . 1 1 21 21 THR N N 21 119.209 119.209 116.846 2.363 19792 105 1 . 1 1 21 21 THR HA H 21 3.930 3.930 4.375 -0.445 19792 106 1 . 1 1 21 21 THR C C 21 171.688 171.688 173.357 -1.669 19792 107 1 . 1 1 21 21 THR CA C 21 61.882 61.882 62.956 -1.074 19792 108 1 . 1 1 21 21 THR CB C 21 65.397 65.397 69.788 -4.392 19792 109 1 . 1 1 21 21 THR H H 21 7.514 7.514 7.858 -0.344 19792 110 1 . 1 1 22 22 ASN N N 22 126.624 126.624 120.140 6.484 19792 111 1 . 1 1 22 22 ASN HA H 22 4.769 4.769 4.885 -0.116 19792 112 1 . 1 1 22 22 ASN C C 22 172.032 172.032 175.799 -3.767 19792 113 1 . 1 1 22 22 ASN CA C 22 47.706 47.706 52.108 -4.402 19792 114 1 . 1 1 22 22 ASN CB C 22 37.373 37.373 41.181 -3.808 19792 115 1 . 1 1 22 22 ASN H H 22 8.031 8.031 8.271 -0.240 19792 116 1 . 1 1 23 23 GLU N N 23 118.056 118.056 121.503 -3.447 19792 117 1 . 1 1 23 23 GLU HA H 23 3.567 3.567 3.915 -0.348 19792 118 1 . 1 1 23 23 GLU CA C 23 58.784 58.784 60.534 -1.750 19792 119 1 . 1 1 23 23 GLU CB C 23 25.862 25.862 29.449 -3.587 19792 120 1 . 1 1 23 23 GLU H H 23 10.151 10.151 8.863 1.288 19792 121 1 . 1 1 24 24 LYS N N 24 118.897 118.897 118.002 0.895 19792 122 1 . 1 1 24 24 LYS HA H 24 4.005 4.005 4.284 -0.279 19792 123 1 . 1 1 24 24 LYS C C 24 176.843 176.843 178.083 -1.240 19792 124 1 . 1 1 24 24 LYS CA C 24 55.731 55.731 58.735 -3.004 19792 125 1 . 1 1 24 24 LYS CB C 24 29.371 29.371 31.770 -2.399 19792 126 1 . 1 1 24 24 LYS H H 24 7.839 7.839 8.303 -0.464 19792 127 1 . 1 1 25 25 ALA N N 25 123.210 123.210 121.572 1.638 19792 128 1 . 1 1 25 25 ALA HA H 25 4.169 4.169 4.220 -0.051 19792 129 1 . 1 1 25 25 ALA C C 25 178.048 178.048 179.423 -1.375 19792 130 1 . 1 1 25 25 ALA CA C 25 51.868 51.868 54.223 -2.355 19792 131 1 . 1 1 25 25 ALA CB C 25 16.139 16.139 18.627 -2.488 19792 132 1 . 1 1 25 25 ALA H H 25 7.827 7.827 7.723 0.104 19792 133 1 . 1 1 26 26 LEU N N 26 116.466 116.466 119.375 -2.909 19792 134 1 . 1 1 26 26 LEU HA H 26 4.024 4.024 3.978 0.046 19792 135 1 . 1 1 26 26 LEU C C 26 176.375 176.375 178.988 -2.613 19792 136 1 . 1 1 26 26 LEU CA C 26 54.958 54.958 57.685 -2.727 19792 137 1 . 1 1 26 26 LEU CB C 26 39.701 39.701 41.415 -1.714 19792 138 1 . 1 1 26 26 LEU H H 26 7.652 7.652 7.925 -0.273 19792 139 1 . 1 1 27 27 GLU N N 27 119.789 119.789 119.009 0.780 19792 140 1 . 1 1 27 27 GLU HA H 27 3.591 3.591 3.921 -0.330 19792 141 1 . 1 1 27 27 GLU C C 27 176.206 176.206 178.674 -2.468 19792 142 1 . 1 1 27 27 GLU CA C 27 57.072 57.072 59.717 -2.645 19792 143 1 . 1 1 27 27 GLU CB C 27 27.067 27.067 29.250 -2.183 19792 144 1 . 1 1 27 27 GLU H H 27 8.480 8.480 8.285 0.195 19792 145 1 . 1 1 28 28 ALA N N 28 120.599 120.599 120.351 0.248 19792 146 1 . 1 1 28 28 ALA HA H 28 4.039 4.039 4.206 -0.167 19792 147 1 . 1 1 28 28 ALA C C 28 177.506 177.506 179.061 -1.555 19792 148 1 . 1 1 28 28 ALA CA C 28 51.907 51.907 54.368 -2.462 19792 149 1 . 1 1 28 28 ALA CB C 28 15.407 15.407 18.482 -3.076 19792 150 1 . 1 1 28 28 ALA H H 28 7.837 7.837 7.551 0.286 19792 151 1 . 1 1 29 29 VAL N N 29 115.536 115.536 118.319 -2.783 19792 152 1 . 1 1 29 29 VAL HA H 29 3.826 3.826 3.669 0.157 19792 153 1 . 1 1 29 29 VAL C C 29 174.998 174.998 177.438 -2.440 19792 154 1 . 1 1 29 29 VAL CA C 29 61.999 61.999 65.870 -3.871 19792 155 1 . 1 1 29 29 VAL CB C 29 29.878 29.878 31.738 -1.860 19792 156 1 . 1 1 29 29 VAL H H 29 7.626 7.626 7.514 0.112 19792 157 1 . 1 1 30 30 PHE N N 30 115.465 115.465 115.483 -0.018 19792 158 1 . 1 1 30 30 PHE HA H 30 4.482 4.482 4.995 -0.513 19792 159 1 . 1 1 30 30 PHE C C 30 174.725 174.725 177.762 -3.037 19792 160 1 . 1 1 30 30 PHE CA C 30 59.628 59.628 58.780 0.848 19792 161 1 . 1 1 30 30 PHE CB C 30 35.394 35.394 39.910 -4.516 19792 162 1 . 1 1 30 30 PHE H H 30 8.514 8.514 8.096 0.418 19792 163 1 . 1 1 31 31 GLY N N 31 108.299 108.299 108.402 -0.103 19792 164 1 . 1 1 31 31 GLY C C 31 172.455 172.455 175.010 -2.554 19792 165 1 . 1 1 31 31 GLY CA C 31 43.505 43.505 46.606 -3.101 19792 166 1 . 1 1 31 31 GLY H H 31 8.294 8.294 8.528 -0.234 19792 167 1 . 1 1 32 32 LYS N N 32 117.309 117.309 119.158 -1.849 19792 168 1 . 1 1 32 32 LYS HA H 32 3.926 3.926 4.132 -0.206 19792 169 1 . 1 1 32 32 LYS C C 32 174.779 174.779 176.497 -1.718 19792 170 1 . 1 1 32 32 LYS CA C 32 54.700 54.700 57.490 -2.790 19792 171 1 . 1 1 32 32 LYS CB C 32 28.935 28.935 31.494 -2.559 19792 172 1 . 1 1 32 32 LYS H H 32 6.846 6.846 8.043 -1.197 19792 173 1 . 1 1 33 33 TYR N N 33 115.635 115.635 118.777 -3.142 19792 174 1 . 1 1 33 33 TYR HA H 33 4.117 4.117 4.599 -0.482 19792 175 1 . 1 1 33 33 TYR C C 33 171.935 171.935 175.451 -3.516 19792 176 1 . 1 1 33 33 TYR CA C 33 56.609 56.609 58.515 -1.905 19792 177 1 . 1 1 33 33 TYR CB C 33 35.735 35.735 39.779 -4.044 19792 178 1 . 1 1 33 33 TYR H H 33 7.593 7.593 7.846 -0.253 19792 179 1 . 1 1 34 34 GLY N N 34 104.503 104.503 106.366 -1.863 19792 180 1 . 1 1 34 34 GLY C C 34 168.962 168.962 173.124 -4.162 19792 181 1 . 1 1 34 34 GLY CA C 34 41.563 41.563 45.311 -3.748 19792 182 1 . 1 1 34 34 GLY H H 34 7.253 7.253 7.730 -0.477 19792 183 1 . 1 1 35 35 ARG N N 35 116.679 116.679 120.521 -3.842 19792 184 1 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.478 -0.363 19792 185 1 . 1 1 35 35 ARG C C 35 174.272 174.272 174.684 -0.412 19792 186 1 . 1 1 35 35 ARG CA C 35 54.785 54.785 55.781 -0.996 19792 187 1 . 1 1 35 35 ARG CB C 35 27.958 27.958 31.251 -3.292 19792 188 1 . 1 1 35 35 ARG H H 35 8.196 8.196 8.729 -0.533 19792 189 1 . 1 1 36 36 ILE N N 36 128.885 128.885 123.652 5.233 19792 190 1 . 1 1 36 36 ILE HA H 36 3.827 3.827 4.085 -0.258 19792 191 1 . 1 1 36 36 ILE C C 36 173.725 173.725 175.970 -2.245 19792 192 1 . 1 1 36 36 ILE CA C 36 57.740 57.740 61.723 -3.983 19792 193 1 . 1 1 36 36 ILE CB C 36 37.006 37.006 39.346 -2.340 19792 194 1 . 1 1 36 36 ILE H H 36 8.760 8.760 8.553 0.207 19792 195 1 . 1 1 37 37 VAL N N 37 122.612 122.612 121.825 0.787 19792 196 1 . 1 1 37 37 VAL HA H 37 4.083 4.083 4.345 -0.262 19792 197 1 . 1 1 37 37 VAL C C 37 172.917 172.917 175.051 -2.134 19792 198 1 . 1 1 37 37 VAL CA C 37 59.346 59.346 61.615 -2.269 19792 199 1 . 1 1 37 37 VAL CB C 37 30.375 30.375 33.379 -3.004 19792 200 1 . 1 1 37 37 VAL H H 37 8.751 8.751 8.408 0.343 19792 201 1 . 1 1 38 38 GLU N N 38 118.683 118.683 120.095 -1.412 19792 202 1 . 1 1 38 38 GLU HA H 38 4.368 4.368 4.523 -0.155 19792 203 1 . 1 1 38 38 GLU C C 38 170.647 170.647 173.964 -3.317 19792 204 1 . 1 1 38 38 GLU CA C 38 53.636 53.636 56.005 -2.369 19792 205 1 . 1 1 38 38 GLU CB C 38 31.112 31.112 33.315 -2.203 19792 206 1 . 1 1 38 38 GLU H H 38 7.075 7.075 7.675 -0.600 19792 207 1 . 1 1 39 39 VAL N N 39 125.880 125.880 123.132 2.748 19792 208 1 . 1 1 39 39 VAL HA H 39 4.319 4.319 4.214 0.105 19792 209 1 . 1 1 39 39 VAL C C 39 170.693 170.693 174.428 -3.735 19792 210 1 . 1 1 39 39 VAL CA C 39 59.056 59.056 61.280 -2.224 19792 211 1 . 1 1 39 39 VAL CB C 39 31.077 31.077 33.601 -2.524 19792 212 1 . 1 1 39 39 VAL H H 39 8.509 8.509 8.439 0.070 19792 213 1 . 1 1 40 40 LEU N N 40 129.331 129.331 127.796 1.535 19792 214 1 . 1 1 40 40 LEU HA H 40 4.675 4.675 4.687 -0.012 19792 215 1 . 1 1 40 40 LEU C C 40 171.627 171.627 174.587 -2.960 19792 216 1 . 1 1 40 40 LEU CA C 40 50.744 50.744 53.867 -3.123 19792 217 1 . 1 1 40 40 LEU CB C 40 42.066 42.066 44.139 -2.073 19792 218 1 . 1 1 40 40 LEU H H 40 8.928 8.928 8.561 0.368 19792 219 1 . 1 1 41 41 LEU N N 41 128.574 128.574 126.531 2.043 19792 220 1 . 1 1 41 41 LEU HA H 41 4.340 4.340 4.500 -0.160 19792 221 1 . 1 1 41 41 LEU C C 41 172.935 172.935 175.652 -2.717 19792 222 1 . 1 1 41 41 LEU CA C 41 50.876 50.876 54.272 -3.396 19792 223 1 . 1 1 41 41 LEU CB C 41 41.547 41.547 43.905 -2.358 19792 224 1 . 1 1 41 41 LEU H H 41 9.023 9.023 8.377 0.646 19792 225 1 . 1 1 42 42 MET N N 42 125.617 125.617 124.675 0.942 19792 226 1 . 1 1 42 42 MET HA H 42 4.357 4.357 4.517 -0.160 19792 227 1 . 1 1 42 42 MET C C 42 172.606 172.606 175.166 -2.560 19792 228 1 . 1 1 42 42 MET CA C 42 51.857 51.857 53.916 -2.059 19792 229 1 . 1 1 42 42 MET CB C 42 27.700 27.700 32.263 -4.563 19792 230 1 . 1 1 42 42 MET H H 42 7.988 7.988 8.244 -0.256 19792 231 1 . 1 1 43 43 LYS N N 43 121.956 121.956 121.846 0.110 19792 232 1 . 1 1 43 43 LYS HA H 43 4.759 4.759 4.744 0.015 19792 233 1 . 1 1 43 43 LYS C C 43 173.591 173.591 175.520 -1.929 19792 234 1 . 1 1 43 43 LYS CA C 43 51.608 51.608 55.063 -3.455 19792 235 1 . 1 1 43 43 LYS CB C 43 33.447 33.447 35.619 -2.172 19792 236 1 . 1 1 43 43 LYS H H 43 8.289 8.289 8.249 0.040 19792 237 1 . 1 1 44 44 ASP N N 44 123.608 123.608 122.199 1.409 19792 238 1 . 1 1 44 44 ASP HA H 44 4.471 4.471 4.669 -0.198 19792 239 1 . 1 1 44 44 ASP C C 44 174.790 174.790 176.631 -1.841 19792 240 1 . 1 1 44 44 ASP CA C 44 51.279 51.279 54.226 -2.947 19792 241 1 . 1 1 44 44 ASP CB C 44 40.177 40.177 42.709 -2.532 19792 242 1 . 1 1 44 44 ASP H H 44 8.693 8.693 8.803 -0.110 19792 243 1 . 1 1 45 45 ARG N N 45 126.884 126.884 121.701 5.183 19792 244 1 . 1 1 45 45 ARG HA H 45 3.976 3.976 4.285 -0.309 19792 245 1 . 1 1 45 45 ARG C C 45 174.578 174.578 177.188 -2.610 19792 246 1 . 1 1 45 45 ARG CA C 45 55.637 55.637 57.272 -1.635 19792 247 1 . 1 1 45 45 ARG CB C 45 27.544 27.544 30.112 -2.568 19792 248 1 . 1 1 45 45 ARG H H 45 8.875 8.875 8.635 0.240 19792 249 1 . 1 1 46 46 GLU N N 46 117.313 117.313 120.642 -3.329 19792 250 1 . 1 1 46 46 GLU HA H 46 4.182 4.182 4.204 -0.022 19792 251 1 . 1 1 46 46 GLU C C 46 175.625 175.625 177.111 -1.486 19792 252 1 . 1 1 46 46 GLU CA C 46 55.628 55.628 58.513 -2.884 19792 253 1 . 1 1 46 46 GLU CB C 46 27.597 27.597 30.030 -2.433 19792 254 1 . 1 1 46 46 GLU H H 46 8.561 8.561 8.417 0.144 19792 255 1 . 1 1 47 47 THR N N 47 107.019 107.019 110.997 -3.978 19792 256 1 . 1 1 47 47 THR HA H 47 4.277 4.277 4.443 -0.166 19792 257 1 . 1 1 47 47 THR C C 47 173.242 173.242 173.417 -0.175 19792 258 1 . 1 1 47 47 THR CA C 47 58.709 58.709 61.884 -3.175 19792 259 1 . 1 1 47 47 THR CB C 47 67.971 67.971 68.631 -0.660 19792 260 1 . 1 1 47 47 THR H H 47 8.053 8.053 7.840 0.213 19792 261 1 . 1 1 48 48 ASN N N 48 117.468 117.468 117.151 0.317 19792 262 1 . 1 1 48 48 ASN HA H 48 4.335 4.335 4.295 0.040 19792 263 1 . 1 1 48 48 ASN C C 48 171.106 171.106 174.496 -3.390 19792 264 1 . 1 1 48 48 ASN CA C 48 52.130 52.130 54.635 -2.505 19792 265 1 . 1 1 48 48 ASN CB C 48 35.645 35.645 37.456 -1.811 19792 266 1 . 1 1 48 48 ASN H H 48 8.230 8.230 8.417 -0.187 19792 267 1 . 1 1 49 49 LYS N N 49 117.523 117.523 118.102 -0.579 19792 268 1 . 1 1 49 49 LYS HA H 49 4.296 4.296 4.195 0.101 19792 269 1 . 1 1 49 49 LYS C C 49 173.910 173.910 176.819 -2.909 19792 270 1 . 1 1 49 49 LYS CA C 49 52.763 52.763 56.954 -4.191 19792 271 1 . 1 1 49 49 LYS CB C 49 31.039 31.039 33.177 -2.138 19792 272 1 . 1 1 49 49 LYS H H 49 7.517 7.517 7.732 -0.215 19792 273 1 . 1 1 50 50 SER N N 50 115.960 115.960 116.312 -0.352 19792 274 1 . 1 1 50 50 SER HA H 50 4.197 4.197 4.570 -0.373 19792 275 1 . 1 1 50 50 SER C C 50 173.417 173.417 175.191 -1.774 19792 276 1 . 1 1 50 50 SER CA C 50 55.614 55.614 58.214 -2.600 19792 277 1 . 1 1 50 50 SER CB C 50 61.524 61.524 63.765 -2.240 19792 278 1 . 1 1 50 50 SER H H 50 8.705 8.705 8.453 0.252 19792 279 1 . 1 1 51 51 ARG N N 51 124.058 124.058 123.449 0.609 19792 280 1 . 1 1 51 51 ARG HA H 51 4.308 4.308 4.493 -0.185 19792 281 1 . 1 1 51 51 ARG C C 51 174.657 174.657 177.112 -2.455 19792 282 1 . 1 1 51 51 ARG CA C 51 53.393 53.393 55.379 -1.986 19792 283 1 . 1 1 51 51 ARG CB C 51 28.779 28.779 30.845 -2.067 19792 284 1 . 1 1 51 51 ARG H H 51 9.023 9.023 8.340 0.683 19792 285 1 . 1 1 52 52 GLY N N 52 106.703 106.703 108.022 -1.319 19792 286 1 . 1 1 52 52 GLY C C 52 168.863 168.863 173.348 -4.485 19792 287 1 . 1 1 52 52 GLY CA C 52 42.919 42.919 45.290 -2.371 19792 288 1 . 1 1 52 52 GLY H H 52 9.129 9.129 8.730 0.399 19792 289 1 . 1 1 53 53 PHE N N 53 112.307 112.307 116.266 -3.959 19792 290 1 . 1 1 53 53 PHE HA H 53 5.243 5.243 5.284 -0.041 19792 291 1 . 1 1 53 53 PHE C C 53 169.552 169.552 172.588 -3.036 19792 292 1 . 1 1 53 53 PHE CA C 53 52.095 52.095 54.727 -2.632 19792 293 1 . 1 1 53 53 PHE CB C 53 38.914 38.914 41.134 -2.220 19792 294 1 . 1 1 53 53 PHE H H 53 6.845 6.845 7.408 -0.563 19792 295 1 . 1 1 54 54 ALA N N 54 120.987 120.987 121.562 -0.575 19792 296 1 . 1 1 54 54 ALA HA H 54 4.894 4.894 4.410 0.484 19792 297 1 . 1 1 54 54 ALA C C 54 171.062 171.062 174.284 -3.222 19792 298 1 . 1 1 54 54 ALA CA C 54 47.049 47.049 51.162 -4.113 19792 299 1 . 1 1 54 54 ALA CB C 54 22.826 22.826 22.475 0.351 19792 300 1 . 1 1 54 54 ALA H H 54 8.970 8.970 8.487 0.483 19792 301 1 . 1 1 55 55 PHE N N 55 114.157 114.157 119.047 -4.890 19792 302 1 . 1 1 55 55 PHE HA H 55 5.768 5.768 4.900 0.869 19792 303 1 . 1 1 55 55 PHE C C 55 173.605 173.605 173.037 0.568 19792 304 1 . 1 1 55 55 PHE CA C 55 53.080 53.080 56.498 -3.418 19792 305 1 . 1 1 55 55 PHE CB C 55 40.029 40.029 43.038 -3.009 19792 306 1 . 1 1 55 55 PHE H H 55 8.837 8.837 8.382 0.455 19792 307 1 . 1 1 56 56 VAL N N 56 123.812 123.812 123.775 0.037 19792 308 1 . 1 1 56 56 VAL HA H 56 4.474 4.474 4.118 0.356 19792 309 1 . 1 1 56 56 VAL C C 56 171.401 171.401 173.835 -2.434 19792 310 1 . 1 1 56 56 VAL CA C 56 57.848 57.848 60.191 -2.343 19792 311 1 . 1 1 56 56 VAL CB C 56 32.527 32.527 35.364 -2.837 19792 312 1 . 1 1 56 56 VAL H H 56 8.558 8.558 7.986 0.572 19792 313 1 . 1 1 57 57 THR N N 57 123.000 123.000 119.588 3.412 19792 314 1 . 1 1 57 57 THR HA H 57 4.974 4.974 4.768 0.206 19792 315 1 . 1 1 57 57 THR C C 57 171.340 171.340 173.358 -2.018 19792 316 1 . 1 1 57 57 THR CA C 57 58.659 58.659 61.007 -2.348 19792 317 1 . 1 1 57 57 THR CB C 57 66.662 66.662 70.525 -3.862 19792 318 1 . 1 1 57 57 THR H H 57 8.808 8.808 7.973 0.835 19792 319 1 . 1 1 58 58 PHE N N 58 128.385 128.385 122.673 5.712 19792 320 1 . 1 1 58 58 PHE HA H 58 4.683 4.683 4.751 -0.068 19792 321 1 . 1 1 58 58 PHE C C 58 172.367 172.367 176.156 -3.789 19792 322 1 . 1 1 58 58 PHE CA C 58 55.449 55.449 57.096 -1.647 19792 323 1 . 1 1 58 58 PHE CB C 58 37.909 37.909 41.024 -3.115 19792 324 1 . 1 1 58 58 PHE H H 58 8.835 8.835 8.621 0.214 19792 325 1 . 1 1 59 59 GLU N N 59 121.627 121.627 122.371 -0.744 19792 326 1 . 1 1 59 59 GLU HA H 59 3.766 3.766 4.108 -0.342 19792 327 1 . 1 1 59 59 GLU C C 59 173.666 173.666 176.391 -2.724 19792 328 1 . 1 1 59 59 GLU CA C 59 56.293 56.293 58.854 -2.561 19792 329 1 . 1 1 59 59 GLU CB C 59 27.787 27.787 30.386 -2.599 19792 330 1 . 1 1 59 59 GLU H H 59 8.067 8.067 8.777 -0.710 19792 331 1 . 1 1 60 60 SER N N 60 112.302 112.302 112.358 -0.056 19792 332 1 . 1 1 60 60 SER HA H 60 5.163 5.163 4.852 0.311 19792 333 1 . 1 1 60 60 SER CA C 60 50.137 50.137 55.532 -5.395 19792 334 1 . 1 1 60 60 SER CB C 60 61.350 61.350 64.438 -3.088 19792 335 1 . 1 1 60 60 SER H H 60 9.333 9.333 7.911 1.422 19792 336 1 . 1 1 61 61 PRO HA H 61 3.998 3.998 4.469 -0.471 19792 337 1 . 1 1 61 61 PRO CA C 61 61.850 61.850 64.844 -2.994 19792 338 1 . 1 1 61 61 PRO CB C 61 29.391 29.391 32.032 -2.641 19792 339 1 . 1 1 62 62 ALA N N 62 121.088 121.088 120.736 0.352 19792 340 1 . 1 1 62 62 ALA HA H 62 3.932 3.932 4.091 -0.159 19792 341 1 . 1 1 62 62 ALA C C 62 176.826 176.826 179.037 -2.211 19792 342 1 . 1 1 62 62 ALA CA C 62 52.266 52.266 54.563 -2.297 19792 343 1 . 1 1 62 62 ALA CB C 62 15.618 15.618 18.323 -2.705 19792 344 1 . 1 1 62 62 ALA H H 62 7.821 7.821 8.171 -0.350 19792 345 1 . 1 1 63 63 ASP N N 63 120.099 120.099 119.170 0.929 19792 346 1 . 1 1 63 63 ASP HA H 63 4.092 4.092 4.375 -0.283 19792 347 1 . 1 1 63 63 ASP C C 63 174.505 174.505 177.464 -2.959 19792 348 1 . 1 1 63 63 ASP CA C 63 53.809 53.809 56.861 -3.052 19792 349 1 . 1 1 63 63 ASP CB C 63 37.374 37.374 40.321 -2.947 19792 350 1 . 1 1 63 63 ASP H H 63 6.960 6.960 8.119 -1.159 19792 351 1 . 1 1 64 64 ALA N N 64 119.533 119.533 121.172 -1.639 19792 352 1 . 1 1 64 64 ALA HA H 64 3.141 3.141 3.449 -0.308 19792 353 1 . 1 1 64 64 ALA C C 64 176.037 176.037 178.610 -2.573 19792 354 1 . 1 1 64 64 ALA CA C 64 51.399 51.399 54.036 -2.637 19792 355 1 . 1 1 64 64 ALA CB C 64 15.565 15.565 18.542 -2.977 19792 356 1 . 1 1 64 64 ALA H H 64 6.771 6.771 7.473 -0.702 19792 357 1 . 1 1 65 65 LYS N N 65 117.395 117.395 118.082 -0.687 19792 358 1 . 1 1 65 65 LYS HA H 65 3.727 3.727 4.013 -0.286 19792 359 1 . 1 1 65 65 LYS C C 65 176.716 176.716 178.266 -1.550 19792 360 1 . 1 1 65 65 LYS CA C 65 56.684 56.684 59.062 -2.378 19792 361 1 . 1 1 65 65 LYS CB C 65 29.183 29.183 32.328 -3.145 19792 362 1 . 1 1 65 65 LYS H H 65 7.478 7.478 7.712 -0.234 19792 363 1 . 1 1 66 66 ASP N N 66 120.839 120.839 119.493 1.346 19792 364 1 . 1 1 66 66 ASP HA H 66 4.183 4.183 4.454 -0.271 19792 365 1 . 1 1 66 66 ASP C C 66 175.111 175.111 178.011 -2.900 19792 366 1 . 1 1 66 66 ASP CA C 66 54.430 54.430 57.011 -2.581 19792 367 1 . 1 1 66 66 ASP CB C 66 37.720 37.720 40.952 -3.232 19792 368 1 . 1 1 66 66 ASP H H 66 7.403 7.403 7.782 -0.379 19792 369 1 . 1 1 67 67 ALA N N 67 122.056 122.056 121.404 0.652 19792 370 1 . 1 1 67 67 ALA HA H 67 2.160 2.160 3.389 -1.229 19792 371 1 . 1 1 67 67 ALA C C 67 176.448 176.448 178.574 -2.126 19792 372 1 . 1 1 67 67 ALA CA C 67 51.299 51.299 54.404 -3.105 19792 373 1 . 1 1 67 67 ALA CB C 67 17.253 17.253 18.044 -0.791 19792 374 1 . 1 1 67 67 ALA H H 67 7.737 7.737 7.669 0.068 19792 375 1 . 1 1 68 68 ALA N N 68 118.624 118.624 118.083 0.541 19792 376 1 . 1 1 68 68 ALA HA H 68 3.699 3.699 4.218 -0.518 19792 377 1 . 1 1 68 68 ALA C C 68 176.619 176.619 177.986 -1.367 19792 378 1 . 1 1 68 68 ALA CA C 68 52.280 52.280 53.301 -1.021 19792 379 1 . 1 1 68 68 ALA CB C 68 14.849 14.849 18.834 -3.985 19792 380 1 . 1 1 68 68 ALA H H 68 8.108 8.108 7.569 0.539 19792 381 1 . 1 1 69 69 ARG N N 69 116.265 116.265 116.927 -0.662 19792 382 1 . 1 1 69 69 ARG HA H 69 3.932 3.932 4.369 -0.437 19792 383 1 . 1 1 69 69 ARG C C 69 175.857 175.857 176.639 -0.782 19792 384 1 . 1 1 69 69 ARG CA C 69 55.734 55.734 57.133 -1.399 19792 385 1 . 1 1 69 69 ARG CB C 69 27.249 27.249 30.995 -3.746 19792 386 1 . 1 1 69 69 ARG H H 69 7.599 7.599 7.638 -0.039 19792 387 1 . 1 1 70 70 ASP N N 70 116.202 116.202 119.276 -3.074 19792 388 1 . 1 1 70 70 ASP HA H 70 4.555 4.555 4.636 -0.081 19792 389 1 . 1 1 70 70 ASP C C 70 174.867 174.867 176.743 -1.876 19792 390 1 . 1 1 70 70 ASP CA C 70 53.314 53.314 55.701 -2.387 19792 391 1 . 1 1 70 70 ASP CB C 70 39.839 39.839 41.938 -2.099 19792 392 1 . 1 1 70 70 ASP H H 70 7.657 7.657 7.965 -0.308 19792 393 1 . 1 1 71 71 MET N N 71 111.561 111.561 118.395 -6.834 19792 394 1 . 1 1 71 71 MET HA H 71 4.742 4.742 4.427 0.315 19792 395 1 . 1 1 71 71 MET C C 71 175.174 175.174 175.366 -0.192 19792 396 1 . 1 1 71 71 MET CA C 71 50.378 50.378 56.048 -5.670 19792 397 1 . 1 1 71 71 MET CB C 71 29.047 29.047 33.100 -4.053 19792 398 1 . 1 1 71 71 MET H H 71 8.069 8.069 7.697 0.372 19792 399 1 . 1 1 72 72 ASN N N 72 116.196 116.196 118.164 -1.968 19792 400 1 . 1 1 72 72 ASN HA H 72 4.281 4.281 4.648 -0.367 19792 401 1 . 1 1 72 72 ASN C C 72 173.812 173.812 176.093 -2.281 19792 402 1 . 1 1 72 72 ASN CA C 72 53.826 53.826 54.216 -0.390 19792 403 1 . 1 1 72 72 ASN CB C 72 35.885 35.885 38.761 -2.876 19792 404 1 . 1 1 72 72 ASN H H 72 7.442 7.442 7.872 -0.430 19792 405 1 . 1 1 73 73 GLY N N 73 116.956 116.956 109.230 7.726 19792 406 1 . 1 1 73 73 GLY C C 73 171.629 171.629 174.371 -2.742 19792 407 1 . 1 1 73 73 GLY CA C 73 43.091 43.091 45.802 -2.711 19792 408 1 . 1 1 73 73 GLY H H 73 8.884 8.884 8.697 0.187 19792 409 1 . 1 1 74 74 LYS N N 74 120.829 120.829 120.000 0.829 19792 410 1 . 1 1 74 74 LYS HA H 74 4.240 4.240 4.486 -0.246 19792 411 1 . 1 1 74 74 LYS C C 74 172.132 172.132 175.719 -3.587 19792 412 1 . 1 1 74 74 LYS CA C 74 52.333 52.333 55.568 -3.235 19792 413 1 . 1 1 74 74 LYS CB C 74 30.131 30.131 33.969 -3.838 19792 414 1 . 1 1 74 74 LYS H H 74 7.797 7.797 7.715 0.082 19792 415 1 . 1 1 75 75 SER N N 75 112.883 112.883 115.028 -2.145 19792 416 1 . 1 1 75 75 SER HA H 75 4.940 4.940 5.089 -0.149 19792 417 1 . 1 1 75 75 SER C C 75 171.838 171.838 173.877 -2.039 19792 418 1 . 1 1 75 75 SER CA C 75 54.722 54.722 57.541 -2.819 19792 419 1 . 1 1 75 75 SER CB C 75 61.242 61.242 64.511 -3.269 19792 420 1 . 1 1 75 75 SER H H 75 8.037 8.037 8.337 -0.300 19792 421 1 . 1 1 76 76 LEU N N 76 127.669 127.669 124.159 3.510 19792 422 1 . 1 1 76 76 LEU HA H 76 4.436 4.436 4.635 -0.199 19792 423 1 . 1 1 76 76 LEU C C 76 173.849 173.849 175.947 -2.098 19792 424 1 . 1 1 76 76 LEU CA C 76 51.775 51.775 55.154 -3.379 19792 425 1 . 1 1 76 76 LEU CB C 76 41.886 41.886 43.984 -2.098 19792 426 1 . 1 1 76 76 LEU H H 76 8.988 8.988 8.586 0.402 19792 427 1 . 1 1 77 77 ASP N N 77 129.054 129.054 125.315 3.739 19792 428 1 . 1 1 77 77 ASP HA H 77 4.174 4.174 4.343 -0.169 19792 429 1 . 1 1 77 77 ASP C C 77 173.415 173.415 176.406 -2.991 19792 430 1 . 1 1 77 77 ASP CA C 77 52.876 52.876 55.415 -2.539 19792 431 1 . 1 1 77 77 ASP CB C 77 36.413 36.413 40.201 -3.788 19792 432 1 . 1 1 77 77 ASP H H 77 9.523 9.523 9.080 0.443 19792 433 1 . 1 1 78 78 GLY N N 78 101.915 101.915 103.298 -1.383 19792 434 1 . 1 1 78 78 GLY C C 78 170.989 170.989 174.057 -3.068 19792 435 1 . 1 1 78 78 GLY CA C 78 42.769 42.769 45.096 -2.327 19792 436 1 . 1 1 78 78 GLY H H 78 8.396 8.396 8.244 0.152 19792 437 1 . 1 1 79 79 LYS N N 79 119.791 119.791 121.348 -1.557 19792 438 1 . 1 1 79 79 LYS HA H 79 4.546 4.546 4.647 -0.101 19792 439 1 . 1 1 79 79 LYS C C 79 171.513 171.513 175.152 -3.639 19792 440 1 . 1 1 79 79 LYS CA C 79 50.277 50.277 54.018 -3.741 19792 441 1 . 1 1 79 79 LYS CB C 79 31.955 31.955 33.817 -1.862 19792 442 1 . 1 1 79 79 LYS H H 79 7.269 7.269 7.829 -0.560 19792 443 1 . 1 1 80 80 ALA N N 80 125.002 125.002 127.117 -2.115 19792 444 1 . 1 1 80 80 ALA HA H 80 4.365 4.365 4.641 -0.276 19792 445 1 . 1 1 80 80 ALA C C 80 175.007 175.007 177.057 -2.050 19792 446 1 . 1 1 80 80 ALA CA C 80 48.381 48.381 51.630 -3.249 19792 447 1 . 1 1 80 80 ALA CB C 80 15.215 15.215 18.696 -3.481 19792 448 1 . 1 1 80 80 ALA H H 80 8.235 8.235 8.723 -0.488 19792 449 1 . 1 1 81 81 ILE N N 81 119.947 119.947 119.826 0.121 19792 450 1 . 1 1 81 81 ILE HA H 81 4.614 4.614 4.703 -0.089 19792 451 1 . 1 1 81 81 ILE C C 81 172.389 172.389 174.810 -2.421 19792 452 1 . 1 1 81 81 ILE CA C 81 57.921 57.921 60.576 -2.655 19792 453 1 . 1 1 81 81 ILE CB C 81 37.547 37.547 39.820 -2.273 19792 454 1 . 1 1 81 81 ILE H H 81 8.204 8.204 8.240 -0.036 19792 455 1 . 1 1 82 82 LYS N N 82 123.700 123.700 121.731 1.969 19792 456 1 . 1 1 82 82 LYS HA H 82 4.846 4.846 4.734 0.112 19792 457 1 . 1 1 82 82 LYS C C 82 172.571 172.571 174.811 -2.240 19792 458 1 . 1 1 82 82 LYS CA C 82 51.341 51.341 55.107 -3.766 19792 459 1 . 1 1 82 82 LYS CB C 82 31.948 31.948 35.631 -3.683 19792 460 1 . 1 1 82 82 LYS H H 82 8.460 8.460 8.570 -0.110 19792 461 1 . 1 1 83 83 VAL N N 83 123.707 123.707 124.206 -0.499 19792 462 1 . 1 1 83 83 VAL HA H 83 5.068 5.068 5.015 0.053 19792 463 1 . 1 1 83 83 VAL C C 83 171.831 171.831 175.287 -3.456 19792 464 1 . 1 1 83 83 VAL CA C 83 57.954 57.954 61.067 -3.113 19792 465 1 . 1 1 83 83 VAL CB C 83 31.979 31.979 33.602 -1.622 19792 466 1 . 1 1 83 83 VAL H H 83 8.653 8.653 8.694 -0.041 19792 467 1 . 1 1 84 84 GLU N N 84 123.150 123.150 125.540 -2.390 19792 468 1 . 1 1 84 84 GLU HA H 84 4.684 4.684 4.809 -0.125 19792 469 1 . 1 1 84 84 GLU C C 84 172.141 172.141 174.775 -2.634 19792 470 1 . 1 1 84 84 GLU CA C 84 51.305 51.305 53.972 -2.667 19792 471 1 . 1 1 84 84 GLU CB C 84 31.690 31.690 33.308 -1.618 19792 472 1 . 1 1 84 84 GLU H H 84 8.977 8.977 9.191 -0.214 19792 473 1 . 1 1 85 85 GLN N N 85 121.740 121.740 118.849 2.891 19792 474 1 . 1 1 85 85 GLN HA H 85 4.249 4.249 4.592 -0.343 19792 475 1 . 1 1 85 85 GLN C C 85 173.263 173.263 175.629 -2.366 19792 476 1 . 1 1 85 85 GLN CA C 85 54.257 54.257 54.644 -0.387 19792 477 1 . 1 1 85 85 GLN CB C 85 26.519 26.519 29.756 -3.236 19792 478 1 . 1 1 85 85 GLN H H 85 8.835 8.835 8.673 0.162 19792 479 1 . 1 1 86 86 ALA N N 86 127.885 127.885 129.795 -1.910 19792 480 1 . 1 1 86 86 ALA HA H 86 4.434 4.434 4.320 0.114 19792 481 1 . 1 1 86 86 ALA C C 86 174.487 174.487 176.739 -2.252 19792 482 1 . 1 1 86 86 ALA CA C 86 50.016 50.016 52.357 -2.341 19792 483 1 . 1 1 86 86 ALA CB C 86 16.340 16.340 18.000 -1.660 19792 484 1 . 1 1 86 86 ALA H H 86 8.608 8.608 8.780 -0.172 19792 485 1 . 1 1 87 87 THR N N 87 113.372 113.372 115.923 -2.551 19792 486 1 . 1 1 87 87 THR HA H 87 4.339 4.339 4.536 -0.197 19792 487 1 . 1 1 87 87 THR C C 87 171.331 171.331 173.165 -1.834 19792 488 1 . 1 1 87 87 THR CA C 87 58.219 58.219 61.289 -3.070 19792 489 1 . 1 1 87 87 THR CB C 87 67.397 67.397 70.291 -2.894 19792 490 1 . 1 1 87 87 THR H H 87 8.271 8.271 7.863 0.408 19792 491 1 . 1 1 88 88 LYS N N 88 123.502 123.502 121.304 2.198 19792 492 1 . 1 1 88 88 LYS HA H 88 4.473 4.473 4.731 -0.258 19792 493 1 . 1 1 88 88 LYS CA C 88 51.611 51.611 53.938 -2.327 19792 494 1 . 1 1 88 88 LYS CB C 88 29.867 29.867 32.495 -2.628 19792 495 1 . 1 1 88 88 LYS H H 88 8.203 8.203 8.228 -0.025 19792 496 1 . 1 1 89 89 PRO HA H 89 4.194 4.194 4.458 -0.264 19792 497 1 . 1 1 89 89 PRO C C 89 173.726 173.726 176.756 -3.030 19792 498 1 . 1 1 89 89 PRO CA C 89 60.070 60.070 63.816 -3.746 19792 499 1 . 1 1 89 89 PRO CB C 89 29.315 29.315 32.213 -2.898 19792 500 1 . 1 1 90 90 SER N N 90 115.260 115.260 113.610 1.650 19792 501 1 . 1 1 90 90 SER HA H 90 4.229 4.229 4.596 -0.367 19792 502 1 . 1 1 90 90 SER C C 90 171.123 171.123 172.791 -1.668 19792 503 1 . 1 1 90 90 SER CA C 90 55.017 55.017 57.894 -2.877 19792 504 1 . 1 1 90 90 SER CB C 90 60.977 60.977 64.424 -3.447 19792 505 1 . 1 1 90 90 SER H H 90 7.991 7.991 7.832 0.159 19792 506 1 . 1 1 91 91 PHE N N 91 121.128 121.128 121.474 -0.346 19792 507 1 . 1 1 91 91 PHE HA H 91 4.527 4.527 4.715 -0.188 19792 508 1 . 1 1 91 91 PHE C C 91 171.798 171.798 174.805 -3.007 19792 509 1 . 1 1 91 91 PHE CA C 91 54.467 54.467 57.652 -3.185 19792 510 1 . 1 1 91 91 PHE CB C 91 37.008 37.008 40.641 -3.632 19792 511 1 . 1 1 91 91 PHE H H 91 8.004 8.004 8.400 -0.396 19792 stop_ save_